Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 215.31 37 0.0741 1.74 143 108.9 0.55 49 5.5494 25.03 2 216.88 30 0.0736 2.02 142 114.3 0.53 57 6.0297 28.26 3 219.90 34 0.0739 1.90 159 115.0 0.61 60 6.0791 31.15 4 222.93 29 0.0735 1.75 170 122.3 0.63 60 6.0358 38.22 5 223.56 28 0.0736 2.06 166 118.9 0.58 59 6.8204 35.94 6 224.12 35 0.0748 1.79 155 116.9 0.59 61 6.0428 29.98 7 224.74 34 0.0742 1.59 185 124.5 0.61 54 5.7849 25.70 8 225.77 33 0.0738 1.74 165 120.7 0.81 49 6.3056 32.47 9 225.91 34 0.0743 2.07 159 119.6 0.57 54 6.3224 27.08 10 226.33 34 0.0752 2.01 166 118.2 0.60 58 5.8046 25.84 11 226.73 30 0.0741 2.14 177 121.5 0.63 58 6.5561 32.38 12 227.51 33 0.0736 1.89 178 127.0 0.70 69 6.4865 33.55 13 227.66 35 0.0751 2.02 163 116.9 0.68 54 5.9910 26.18 14 229.18 40 0.0762 2.07 166 121.7 0.54 52 5.3363 25.66 15 230.13 40 0.0755 2.05 157 120.8 0.54 63 6.2665 28.48 16 230.46 35 0.0755 2.16 191 123.1 0.74 58 5.5683 24.42 17 230.97 38 0.0756 2.04 168 124.0 0.63 60 5.7535 25.41 18 231.53 34 0.0756 2.01 176 123.7 0.77 59 5.9620 25.70 19 231.73 40 0.0769 2.20 141 117.0 0.76 59 5.7119 30.00 20 231.81 31 0.0750 2.05 181 125.0 0.62 64 6.3196 31.07 Ave 226.16 34 0.0747 1.96 165 120.0 0.63 58 6.0363 29.13 +/- 4.63 3 0.0009 0.16 13 4.2 0.08 5 0.3628 3.83 Min 215.31 28 0.0735 1.59 141 108.9 0.53 49 5.3363 24.42 Max 231.81 40 0.0769 2.20 191 127.0 0.81 69 6.8204 38.22 Cut 0.90 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HA ALA 55 - QG2 THR 56 4.28 20 1.19 1.25 +++++++++++++++*++++ peak 2114 Upper H GLU 60 - QB ALA 63 3.24 18 1.12 1.42 ++++++++++*+++ +++ + peak 8164 QB ALA 95 - QE PHE 350 Upper QD1 LEU 65 - H GLU 67 3.79 7 0.78 1.33 + + + + +* + peak 1147 H GLU 67 - QD1 LEU 84 H GLU 90 - QD2 LEU 93 Upper HA TRP 72 - HD1 TRP 72 3.10 9 0.47 1.30 + + +++ + + *+ peak 50 Upper HB3 TRP 72 - HZ3 TRP 72 4.11 20 1.88 2.20 ++++++++++++++++++*+ peak 214 Upper HD1 TRP 72 - QD2 LEU 73 4.25 8 0.84 1.82 + + ++ + +*+ peak 227 Upper HE3 TRP 72 - HB3 LEU 73 4.11 8 0.76 1.48 ++ *+ ++ ++ peak 208 Upper HB3 ARG 74 - HA PRO 75 3.52 16 1.09 1.35 ++*+ ++++++ +++ +++ peak 2693 HA PRO 75 - HG LEU 84 Upper HA MET 83 - QD1 LEU 84 3.11 14 1.08 1.51 ++++++ ++ + +++ +* peak 8316 Upper QD2 LEU 86 - QD1 LEU 87 2.40 9 0.72 1.60 + ++ + + + ++ * peak 3049 Upper H LEU 87 - HA VAL 88 3.93 8 0.93 1.30 + *++ + +++ peak 376 Upper H GLN 91 - QD PHE 92 4.79 17 1.12 1.33 ++ + +++++ +*+++++++ peak 1149 Upper QD PHE 92 - HA GLN 101 3.68 7 0.86 1.37 + + ++ * + + peak 2691 H LEU 96 - HA GLN 101 HD2 PRO 75 - HA ARG 108 Upper HD2 PRO 97 - HB ILE 100 4.33 6 0.74 1.07 * + ++++ peak 1785 HD3 PRO 98 - HB ILE 100 QD2 LEU 73 - HA LEU 86 Upper HG3 GLN 101 - QB ALA 102 4.48 6 0.64 1.54 * ++ + + + peak 4091 Upper HB2 PRO 112 - H GLU 114 4.01 10 0.72 1.14 ++++ +* + + ++ peak 8247 QB LEU 84 - QD1 LEU 89 Upper H GLU 113 - QB ALA 116 3.59 10 0.91 1.07 +++ +++*+ ++ peak 8114 QD1 ILE 100 - QE TYR 352 Upper HG LEU 118 - HA VAL 119 4.42 17 1.23 1.53 ++++++++++*+ ++ +++ peak 3943 Upper HA ALA 355 - QG2 THR 356 4.28 19 1.15 1.31 ++++++++++++*++++ ++ peak 2114 Upper H GLU 360 - QB ALA 363 3.24 18 1.12 1.28 +++*+++ +++++++ ++++ peak 8164 QE PHE 50 - QB ALA 395 Upper H LEU 362 - HG LEU 362 3.15 6 0.35 1.40 ++ +*++ peak 884 Upper QD1 LEU 365 - H GLU 367 3.79 7 0.82 1.39 + + * + ++ + peak 1147 H GLU 367 - QD1 LEU 384 H GLU 390 - QD2 LEU 393 Upper HA TRP 372 - HD1 TRP 372 3.10 7 0.41 1.16 + * + ++ ++ peak 50 Upper HB3 TRP 372 - HZ3 TRP 372 4.11 20 1.88 2.16 +++++++++++++++*++++ peak 214 Upper HD1 TRP 372 - HB3 LEU 373 4.09 9 0.77 1.42 + * ++++ + ++ peak 224 Upper HD1 TRP 372 - QD2 LEU 373 4.25 8 0.76 1.75 + ++ * ++ ++ peak 227 Upper HE3 TRP 372 - HB3 LEU 373 4.11 11 0.75 1.51 ++++ +++ + ++ * peak 208 Upper HB3 ARG 374 - HA PRO 375 3.52 15 1.06 1.57 +++++ +++++ + + +*+ peak 2693 HA PRO 375 - HG LEU 384 Upper HA MET 383 - QD1 LEU 384 3.11 20 1.16 1.36 ++++++++++++++++++*+ peak 8316 Upper QD2 LEU 386 - QD1 LEU 387 2.40 9 0.60 1.15 + ++ +++ * + + peak 3049 Upper H LEU 387 - HA VAL 388 3.93 8 0.92 1.25 + * + +++ ++ peak 376 Upper H GLN 391 - QD PHE 392 4.79 16 1.09 1.31 *+++ ++ ++++++++++ peak 1149 Upper QD PHE 392 - HA GLN 401 3.68 9 0.88 1.26 + + ++ ++ +*+ peak 2691 H LEU 396 - HA GLN 401 HD2 PRO 375 - HA ARG 408 Upper H LEU 396 - HG LEU 396 3.38 6 0.36 1.26 + + + *+ + peak 1185 Upper HA PRO 398 - H GLN 401 3.31 7 0.81 0.98 + + + + * + + peak 8268 HA GLU 399 - H GLN 401 QD2 LEU 62 - HG3 PRO 412 Upper HB2 PRO 412 - H GLU 414 4.01 13 0.86 1.29 ++++* + + ++ ++++ peak 8247 QB LEU 384 - QD1 LEU 389 Upper H GLU 413 - QB ALA 416 3.59 9 0.89 1.09 ++ + + + + * ++ peak 8114 QE TYR 52 - QD1 ILE 400 Upper HG LEU 418 - HA VAL 419 4.42 20 1.35 1.55 +++++*++++++++++++++ peak 3943 VdW CB PRO 38 - H GLY 39 2.55 6 0.08 0.24 +++ *+ + VdW HA2 GLY 39 - CD PRO 40 2.60 9 0.11 0.27 +++++ + + * + VdW HA3 GLY 39 - CD PRO 40 2.60 9 0.13 0.30 + + + ++++ * + VdW HB2 PHE 47 - CB LEU 68 2.60 9 0.20 0.51 +++ + + * + ++ VdW CG PHE 47 - C PHE 47 2.90 11 0.20 0.25 ++ ++++ ++ + + * VdW HE2 PHE 47 - HB3 LEU 65 2.00 7 0.11 0.35 ++ + * ++ + VdW CD1 TYR 52 - C TYR 52 3.10 7 0.09 0.30 ++ + +* + + VdW CE1 TYR 52 - C GLY 57 3.10 6 0.08 0.27 *+ + ++ + VdW CE2 TYR 52 - C GLY 57 3.10 8 0.12 0.26 ++ + *+ + + + VdW CD2 TYR 52 - C TYR 52 3.10 9 0.14 0.34 ++ + ++ * + + + VdW HD2 TYR 52 - N GLU 53 2.45 7 0.10 0.26 + * ++ + + + VdW CG2 THR 56 - C THR 56 2.90 18 0.21 0.25 + ++++++++++++*++++ VdW O THR 56 - HB3 GLU 60 2.30 9 0.18 0.34 + +* + +++ ++ VdW HB3 PRO 58 - CG2 VAL 119 2.60 10 0.18 0.36 + ++ + ++ +*++ VdW CD1 LEU 62 - CB ALA 116 3.20 15 0.22 0.31 ++*++++++++ ++ + + VdW O GLN 64 - N LEU 68 2.75 7 0.15 0.27 + * ++ + + + VdW CA LEU 65 - CD1 LEU 65 3.00 9 0.11 0.27 + + ++ +++ + * VdW HA LEU 65 - CD1 LEU 65 2.60 6 0.13 0.41 + *+ + + + VdW CG GLU 67 - C GLU 67 2.90 14 0.21 0.24 ++ ++++ + ++++*+ + VdW SG CYS 69 - C CYS 69 3.10 8 0.16 0.30 + +*++ + + + VdW SG CYS 69 - N ARG 70 3.25 11 0.20 0.35 ++ +++ *+ + + + + VdW CG ARG 70 - C ARG 70 2.90 6 0.13 0.24 + + *+ + + VdW CG TRP 72 - C TRP 72 2.90 10 0.13 0.25 + ++ + * ++ ++ + VdW CG TRP 72 - N LEU 73 3.05 9 0.21 0.40 + * + + ++ ++ + VdW CD1 TRP 72 - C TRP 72 3.10 11 0.23 0.51 + ++ ++* ++ ++ + VdW CD1 LEU 73 - CD1 LEU 87 3.20 6 0.08 0.26 *+ + + + + VdW HA ARG 74 - CD PRO 75 2.60 10 0.19 0.30 + + ++ + +++ + * VdW C ARG 74 - H GLU 76 2.45 14 0.25 0.38 ++ + ++++++++*++ VdW CB ARG 78 - H SER 79 2.55 9 0.18 0.40 ++ ++ *++++ VdW O SER 79 - HB2 MET 83 2.30 7 0.12 0.39 + *+ + + ++ VdW H GLU 81 - CG GLU 81 2.55 6 0.14 0.26 ++ *+ + + VdW O GLU 81 - HB2 GLU 85 2.30 6 0.11 0.38 + ++ + *+ VdW O GLU 81 - HB3 GLU 85 2.30 6 0.12 0.35 + * + + ++ VdW HA MET 83 - SD MET 83 2.80 6 0.14 0.55 + + ++*+ VdW CB MET 83 - CE MET 83 3.00 7 0.14 0.25 ++ + + * + + VdW O MET 83 - HB3 LEU 86 2.30 7 0.13 0.59 + + + ++ +* VdW N LEU 84 - CD1 LEU 84 3.05 8 0.15 0.46 ++++ * + ++ VdW CA LEU 84 - CD2 LEU 84 3.00 6 0.09 0.25 +++ + +* VdW O LEU 84 - N VAL 88 2.75 13 0.25 0.49 ++ + +++ ++++++* VdW O LEU 84 - H VAL 88 1.80 10 0.17 0.40 + + +++ ++++ * VdW O LEU 84 - HB VAL 88 2.30 6 0.11 0.31 + + + +* + VdW HG LEU 86 - CD1 LEU 87 2.60 9 0.19 0.56 ++ + + + +* ++ VdW CD1 LEU 86 - C LEU 86 3.10 8 0.17 0.44 +++ +* + ++ VdW H LEU 87 - HG LEU 87 1.95 7 0.12 0.42 + + ++ * ++ VdW H LEU 87 - CD2 LEU 87 2.55 7 0.15 0.76 ++ + ++ *+ VdW CD2 LEU 87 - N VAL 88 3.05 6 0.12 0.43 + * + + ++ VdW CG1 VAL 88 - C VAL 88 2.90 9 0.16 0.28 + ++ + +++* + VdW CG1 VAL 88 - HB3 PRO 112 2.60 9 0.18 0.42 +* + ++ ++ ++ VdW O LEU 93 - NE2 GLN 101 2.75 7 0.16 0.35 * + ++ + ++ VdW C LEU 96 - HB2 GLN 101 2.50 7 0.13 0.30 + +* + + ++ VdW HG2 PRO 97 - HG3 GLU 99 2.00 9 0.13 0.32 *+++ ++ + ++ VdW HG2 PRO 97 - CG1 ILE 100 2.60 16 0.28 0.50 ++++ + +++++* ++ +++ VdW HG2 PRO 97 - HG12 ILE 100 2.00 19 0.34 0.48 ++++++ +++++*+++++++ VdW HG2 PRO 97 - CD1 ILE 100 2.60 11 0.20 0.31 +++ + + +++ * ++ VdW O PRO 97 - CB GLN 101 2.90 16 0.34 0.57 +++++ +++++ +++*++ VdW O PRO 97 - HB2 GLN 101 2.30 13 0.29 0.59 + ++*+++++ ++++ VdW H GLU 99 - CG GLU 99 2.55 16 0.21 0.27 ++++++ ++++ +++ +*+ VdW N ILE 100 - CG1 ILE 100 2.85 11 0.17 0.24 +++ + ++ * ++ ++ VdW H ILE 100 - CG1 ILE 100 2.55 17 0.27 0.34 ++++ + ++++++ +*++++ VdW H ILE 100 - HG12 ILE 100 1.95 19 0.32 0.41 ++++++ +++++*+++++++ VdW CG2 ILE 100 - CD1 ILE 100 3.00 10 0.21 0.33 + +* + + + + +++ VdW CG2 ILE 100 - HA VAL 119 2.60 8 0.16 0.34 + + ++ *+ + + VdW O ILE 100 - N ARG 103 2.75 12 0.18 0.32 ++++ + ++ + +++* VdW CB GLN 107 - N ARG 108 2.85 8 0.15 0.20 +*+ + + + ++ VdW CB GLN 107 - H ARG 108 2.55 16 0.29 0.40 ++++*+++++++ ++ ++ VdW O PRO 112 - HB3 ALA 116 2.30 6 0.10 0.43 + * +++ + VdW H LEU 118 - CG LEU 118 2.55 11 0.22 0.35 + + + ++++*+ + + VdW CG2 VAL 119 - C VAL 119 2.90 7 0.10 0.30 + *++ ++ + VdW CG2 VAL 119 - N ASP 120 3.05 7 0.17 0.37 +*++++ + VdW O VAL 119 - HG3 ARG 123 2.30 8 0.16 0.29 ++ + * ++++ VdW HA2 GLY 339 - CD PRO 340 2.60 10 0.13 0.26 + +* ++ +++ + + VdW HA3 GLY 339 - CD PRO 340 2.60 8 0.11 0.31 ++ + * ++ ++ VdW HB2 PHE 347 - CB LEU 368 2.60 10 0.15 0.37 ++++ + + ++ + * VdW CG PHE 347 - C PHE 347 2.90 13 0.19 0.25 ++ +++ ++ + ++ *++ VdW HE1 PHE 347 - HB3 LEU 365 2.00 6 0.10 0.31 ++ * + ++ VdW HZ PHE 347 - C LEU 387 2.50 6 0.11 0.35 + + ++ *+ VdW CD1 TYR 352 - C TYR 352 3.10 8 0.12 0.32 + + ++ ++*+ VdW HD1 TYR 352 - N GLU 353 2.45 7 0.10 0.26 + + ++ *++ VdW CE1 TYR 352 - C GLY 357 3.10 7 0.11 0.27 + + + +++* VdW CE2 TYR 352 - C GLY 357 3.10 8 0.11 0.28 + +* + +++ + VdW CD2 TYR 352 - C TYR 352 3.10 10 0.14 0.35 ++* + + +++ ++ VdW HD2 TYR 352 - N GLU 353 2.45 6 0.10 0.28 +++ * + + VdW C GLU 353 - H ALA 355 2.45 6 0.17 0.26 + + * + ++ VdW CG2 THR 356 - C THR 356 2.90 15 0.21 0.28 ++++ ++ ++++++ + +* VdW O THR 356 - HB3 GLU 360 2.30 11 0.20 0.53 +++++ ++ + *++ VdW HB3 PRO 358 - CG2 VAL 419 2.60 12 0.20 0.31 +++++ + ++ + *++ VdW CD1 LEU 362 - CB ALA 416 3.20 12 0.17 0.31 ++ +*+++ +++ ++ VdW CD2 LEU 362 - CB PRO 412 3.20 7 0.13 0.36 + *+++ ++ VdW HD23 LEU 362 - CB PRO 412 2.60 6 0.10 0.31 + + + + * + VdW O GLN 364 - N LEU 368 2.75 6 0.14 0.41 + ++ *++ VdW O GLN 364 - H LEU 368 1.80 6 0.13 0.33 + + ++* + VdW HA LEU 365 - CD1 LEU 365 2.60 6 0.10 0.31 + + + + * + VdW CG GLU 367 - C GLU 367 2.90 15 0.21 0.24 *+ ++++++++ + ++++ VdW CA LEU 368 - CD1 LEU 368 3.00 8 0.09 0.26 *+ ++++++ VdW HA LEU 368 - CD1 LEU 368 2.60 7 0.11 0.36 ++ + +++* VdW SG CYS 369 - N ARG 370 3.25 9 0.19 0.36 ++ +*+ + ++ + VdW CG TRP 372 - C TRP 372 2.90 11 0.14 0.25 + ++++ +++ * + + VdW CG TRP 372 - N LEU 373 3.05 10 0.23 0.42 + + +++++* + + VdW CD1 TRP 372 - C TRP 372 3.10 12 0.24 0.48 + +++++*++ + + + VdW CZ3 TRP 372 - HG LEU 387 2.60 6 0.11 0.48 + ++* + + VdW O LEU 373 - C ARG 374 2.80 7 0.12 0.48 + + +*+ ++ VdW O LEU 373 - O ARG 374 2.60 6 0.13 0.58 + ++* + + VdW HA ARG 374 - CD PRO 375 2.60 10 0.19 0.30 + +++ + + + + + * VdW C ARG 374 - H GLU 376 2.45 14 0.23 0.37 ++++ ++*+ ++ +++ + VdW CB ARG 378 - H SER 379 2.55 6 0.17 0.38 + +* + + + VdW O GLU 381 - CB GLU 385 2.90 7 0.15 0.39 + * + ++ + + VdW O GLU 381 - HB2 GLU 385 2.30 7 0.11 0.44 + + + * + + + VdW O GLU 381 - HB3 GLU 385 2.30 12 0.21 0.47 * ++ + + + + +++++ VdW HA MET 383 - SD MET 383 2.80 6 0.13 0.62 +++ + + * VdW CB MET 383 - CE MET 383 3.00 9 0.16 0.25 + *++ ++ + + + VdW N LEU 384 - CD2 LEU 384 3.05 12 0.18 0.30 ++ +++++ + + ++ * VdW CA LEU 384 - CD2 LEU 384 3.00 7 0.15 0.25 + * +++ + + VdW C LEU 384 - H LEU 386 2.45 7 0.16 0.41 * + + + + + + VdW O LEU 384 - CD2 LEU 387 2.90 7 0.16 0.57 + +*++ + + VdW O LEU 384 - N VAL 388 2.75 9 0.17 0.38 + + +++++ + * VdW O LEU 384 - H VAL 388 1.80 6 0.11 0.36 + + +++ * VdW CG GLU 385 - C GLU 385 2.90 9 0.13 0.24 + + + + +*+++ VdW O GLU 385 - HB3 LEU 389 2.30 6 0.12 0.57 + + * + ++ VdW CG LEU 386 - N LEU 387 3.05 6 0.10 0.31 + + + + * + VdW HG LEU 386 - N LEU 387 2.45 6 0.12 0.50 + + + + + * VdW HG LEU 386 - CD1 LEU 387 2.60 9 0.19 0.54 + + +++*+ + + VdW CD1 LEU 386 - C LEU 386 3.10 8 0.15 0.49 + + * ++++ + VdW N LEU 387 - CD2 LEU 387 3.05 8 0.13 0.44 + + ++ *+ + + VdW H LEU 387 - CD2 LEU 387 2.55 8 0.17 0.58 + + + ++ *+ + VdW CD2 LEU 387 - C LEU 387 3.10 6 0.12 0.43 *+ + + + + VdW CD2 LEU 387 - N VAL 388 3.05 10 0.21 0.63 +*+ +++ + + + + VdW HD21 LEU 387 - N VAL 388 2.45 7 0.14 0.50 +*+ + ++ + VdW H VAL 388 - CG1 VAL 388 2.55 6 0.11 0.42 + + + + *+ VdW CG1 VAL 388 - C VAL 388 2.90 7 0.11 0.27 + + ++* + + VdW CG1 VAL 388 - HB3 PRO 412 2.60 6 0.12 0.38 + +*++ + VdW O LEU 393 - NE2 GLN 401 2.75 11 0.19 0.35 + ++++++ +* + + VdW HA LEU 396 - CD PRO 397 2.60 8 0.19 0.29 + *+ ++++ + VdW C LEU 396 - HB2 GLN 401 2.50 8 0.16 0.34 *++ ++ + + + VdW O LEU 396 - NE2 GLN 401 2.75 7 0.17 0.63 +++ + *+ + VdW HB2 PRO 397 - HD2 PRO 398 2.00 8 0.16 0.28 + + + + * +++ VdW HG2 PRO 397 - HG2 GLU 399 2.00 10 0.12 0.30 + +++ ++ + + * + VdW HG2 PRO 397 - HG3 GLU 399 2.00 6 0.09 0.32 + + * + + + VdW HG2 PRO 397 - CG1 ILE 400 2.60 16 0.26 0.44 +++ ++++++++*++ + + VdW HG2 PRO 397 - HG12 ILE 400 2.00 19 0.33 0.43 +++++++++++++*++++ + VdW HG2 PRO 397 - CD1 ILE 400 2.60 12 0.20 0.31 ++ + ++++* + + + + VdW O PRO 397 - CB GLN 401 2.90 19 0.40 0.62 ++++++++++++* ++++++ VdW O PRO 397 - HB2 GLN 401 2.30 10 0.26 0.68 +++ +++ * + ++ VdW H GLU 399 - CG GLU 399 2.55 13 0.21 0.28 +* ++ ++++ +++ + + VdW H GLU 399 - HG2 GLU 399 1.95 9 0.13 0.25 + +*+ + + + + + VdW N ILE 400 - CG1 ILE 400 2.85 9 0.16 0.23 ++ ++ + *++ + VdW H ILE 400 - CG1 ILE 400 2.55 16 0.25 0.34 +*+ +++++++++++ + + VdW H ILE 400 - HG12 ILE 400 1.95 18 0.31 0.53 *+++++++++++++++ + + VdW CG2 ILE 400 - CD1 ILE 400 3.00 14 0.22 0.32 + +*+++ +++++ + + + VdW O ILE 400 - N ARG 403 2.75 7 0.16 0.27 +*+++ + + VdW CB GLN 407 - N ARG 408 2.85 7 0.14 0.20 ++ ++ +*+ VdW CB GLN 407 - H ARG 408 2.55 15 0.27 0.40 ++++++ ++++ ++*++ VdW O GLN 407 - CB ARG 408 2.90 6 0.14 0.36 * ++ + + + VdW HG2 PRO 409 - H GLY 410 1.95 7 0.11 0.28 * ++ + +++ VdW CG GLU 414 - C GLU 414 2.90 7 0.08 0.24 * + + +++ + VdW HG3 GLU 414 - C GLU 414 2.50 6 0.09 0.38 + + + + + * VdW H LEU 418 - CG LEU 418 2.55 13 0.22 0.35 +++ ++ +*+++ ++ + VdW H LEU 418 - HG LEU 418 1.95 6 0.16 0.27 +* +++ + VdW CG2 VAL 419 - C VAL 419 2.90 11 0.16 0.29 + ++ + + +*+ +++ VdW CG2 VAL 419 - N ASP 420 3.05 13 0.24 0.39 +++ +++ +++ ++*+ VdW O VAL 419 - CG ARG 423 2.90 8 0.13 0.30 ++ + +* + ++ Angle PSI CYS 49 -51.00 -5.00 13 5.80 8.90 +++ + + ++++ + + *+ Angle PSI THR 56 -15.00 15.00 10 4.64 12.20 +* + ++ + ++ ++ Angle PSI GLN 59 -46.00 -26.00 17 7.10 16.21 +*+++++++++++++++ Angle PHI LEU 62 -71.00 -51.00 16 6.65 9.22 ++ +++*+++ ++++ +++ Angle PHI LEU 65 -71.00 -51.00 7 3.34 9.62 + + *+ + + + Angle PSI LEU 65 -52.00 -32.00 18 8.79 13.40 ++*++++++ +++++++++ Angle PSI ARG 66 -50.00 -30.00 10 5.33 8.34 + + + * + +++++ Angle PHI GLU 67 -79.00 -59.00 7 3.46 7.59 + ++ + + * + Angle PSI GLN 71 -47.00 -17.00 8 3.98 12.53 + + + ++ ++ * Angle PSI SER 79 155.00 175.00 14 10.06 35.94 ++++*+++++ + + ++ Angle PHI LYS 80 -69.00 -49.00 14 8.85 26.10 ++++ +++ *+ + ++++ Angle PHI GLU 81 -73.00 -53.00 6 3.56 17.47 + ++ + *+ Angle PSI GLU 81 -50.00 -30.00 12 6.50 18.68 ++ ++ +++ * + + ++ Angle PHI GLN 82 -76.00 -56.00 14 10.49 26.61 ++ + ++ +++*+ + + ++ Angle PHI MET 83 -75.00 -55.00 14 8.62 21.09 +++ ++*+ +++ +++ + Angle PSI MET 83 -52.00 -32.00 14 8.69 25.03 *+ + +++++ + +++ ++ Angle PHI LEU 84 -73.00 -53.00 12 8.69 33.55 + ++++ ++* + +++ Angle PSI LEU 84 -52.00 -32.00 9 5.11 15.90 + + +++ *++ + Angle PHI GLU 85 -75.00 -55.00 11 4.97 11.30 ++ +++ *+++ ++ Angle PSI GLU 85 -54.00 -34.00 20 14.16 21.41 ++++++++++++*+++++++ Angle PHI LEU 87 -77.00 -57.00 19 21.91 32.38 ++++ +++++*+++++++++ Angle PSI LEU 87 -51.00 -31.00 9 6.94 21.01 + + ++ ++ + *+ Angle PHI VAL 88 -78.00 -58.00 6 4.47 15.94 + + +* + + Angle PSI VAL 88 -55.00 -35.00 6 3.83 13.95 * + + + ++ Angle PHI GLN 91 -74.00 -54.00 19 10.73 18.67 ++++*++++++ ++++++++ Angle PSI PRO 97 132.20 154.90 20 18.48 21.90 ++++++++++++++++++*+ Angle PSI PRO 98 -46.00 -28.00 19 20.72 28.26 +++++*++++++++ +++++ Angle PHI GLU 99 -76.00 -56.00 15 12.40 19.45 ++++*+++ ++ + ++++ Angle PSI GLU 99 -47.00 -27.00 13 4.81 11.60 +++ ++ ++ +++*++ Angle PHI ILE 100 -73.00 -53.00 20 18.91 25.84 +++++++++*++++++++++ Angle PHI GLN 101 -71.00 -51.00 17 8.45 15.51 +++++*+++ ++++ ++++ Angle PSI ALA 102 -51.00 -31.00 8 3.86 9.27 + + +++* ++ Angle PSI ARG 103 -53.00 -33.00 13 5.74 10.65 ++ + ++ ++*+ + +++ Angle PSI PRO 112 -44.00 -28.00 7 4.40 16.58 * + + ++++ Angle PHI GLU 113 -75.00 -55.00 10 4.85 13.03 * +++ + + +++ + Angle PHI GLU 114 -74.00 -54.00 13 6.05 10.58 ++*+ ++ +++ + ++ + Angle PSI ALA 115 -49.00 -29.00 7 3.43 7.70 + + ++ + * + Angle PHI GLY 121 -84.00 -58.00 11 4.08 9.27 +++ * +++ ++++ Angle PHI PHE 347 -74.00 -54.00 6 3.88 6.47 + * + ++ + Angle PSI CYS 349 -51.00 -5.00 14 5.90 10.44 *+ ++ + + + ++++ +++ Angle PSI THR 356 -15.00 15.00 10 5.46 18.00 +++ ++ ++ + +* Angle PHI GLN 359 -77.00 -57.00 6 2.87 8.57 +++ * ++ Angle PSI GLN 359 -46.00 -26.00 17 7.90 16.20 + +++++++ +++++++* + Angle PHI LEU 362 -71.00 -51.00 15 6.54 11.98 ++++++* +++++ + ++ Angle PSI LEU 365 -52.00 -32.00 20 9.31 13.56 ++++++++++++++++++*+ Angle PSI ARG 366 -50.00 -30.00 11 4.93 9.10 +*+ + +++++++ Angle PSI ARG 370 -51.00 -31.00 6 2.63 7.83 + + *+++ Angle PSI GLN 371 -47.00 -17.00 7 3.68 11.64 + *+++ + + Angle PSI SER 379 155.00 175.00 15 9.26 19.21 +++++ ++++ + *+ +++ Angle PHI LYS 380 -69.00 -49.00 13 6.90 22.66 ++++ * +++ + +++ + Angle PSI GLU 381 -50.00 -30.00 17 9.47 20.78 *++++++++++ +++++ + Angle PHI GLN 382 -76.00 -56.00 17 12.43 28.09 ++ +++ +++++++*+ +++ Angle PHI MET 383 -75.00 -55.00 14 10.79 22.47 +++++ + ++++*++ + Angle PSI MET 383 -52.00 -32.00 17 12.18 21.68 ++ ++++++++*+++ +++ Angle PHI LEU 384 -73.00 -53.00 6 3.09 8.41 ++ + + + * Angle PSI LEU 384 -52.00 -32.00 9 6.08 14.04 + ++ + + + + + * Angle PSI GLU 385 -54.00 -34.00 20 17.26 32.47 +++++++*++++++++++++ Angle PHI LEU 386 -74.00 -54.00 8 9.75 30.00 + + + + ++ +* Angle PSI LEU 386 -51.00 -31.00 6 3.45 9.53 +++ + +* Angle PHI LEU 387 -77.00 -57.00 20 22.08 38.22 +++*++++++++++++++++ Angle PSI LEU 387 -51.00 -31.00 15 12.11 19.86 ++ ++++ + * + ++++++ Angle PHI GLN 391 -74.00 -54.00 17 9.36 13.74 +++ + ++++*++++++++ Angle PSI GLN 391 -46.00 -26.00 6 2.69 8.99 + + + *+ + Angle PSI PRO 397 132.20 154.90 20 18.87 22.73 +++++++++++++++*++++ Angle PSI PRO 398 -46.00 -28.00 20 21.70 26.75 ++++++++++++++*+++++ Angle PHI GLU 399 -76.00 -56.00 18 12.82 19.30 ++++++++++++ *+++++ Angle PSI GLU 399 -47.00 -27.00 10 5.09 9.83 + ++*+ + + + + + Angle PHI ILE 400 -73.00 -53.00 20 19.88 26.18 ++++++++++++*+++++++ Angle PHI GLN 401 -71.00 -51.00 14 6.71 12.43 +++*++ ++ ++ ++ ++ Angle PSI ARG 403 -53.00 -33.00 12 5.85 11.37 + +++ * +++ +++ + Angle PHI GLU 414 -74.00 -54.00 17 7.90 11.73 ++*++++ +++++ + ++++ Angle PSI ALA 415 -49.00 -29.00 8 4.49 9.11 *+ +++ +++ Angle PHI GLY 421 -84.00 -58.00 8 4.07 9.22 +++ + + + + * 38 violated distance constraints. 73 violated angle constraints. RMSDs for residues 40..122: Average backbone RMSD to mean : 0.89 +/- 0.22 A (0.58..1.35 A; 20 structures) Average heavy atom RMSD to mean : 1.36 +/- 0.23 A (1.07..2.05 A; 20 structures)