Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 241.48 40 0.0789 2.61 174 116.0 0.57 58 6.0319 31.34 2 243.08 40 0.0774 2.45 182 124.9 0.70 57 6.5942 43.41 3 246.79 42 0.0793 2.51 169 123.4 0.60 62 6.4160 37.00 4 247.48 38 0.0782 2.19 189 128.3 0.66 68 6.5967 34.45 5 249.56 45 0.0793 2.27 188 127.6 0.56 66 6.4406 31.69 6 251.61 39 0.0805 2.56 167 120.0 0.61 63 6.4852 36.58 7 253.12 39 0.0803 2.15 166 123.9 0.60 59 6.4840 35.68 8 253.13 41 0.0787 2.21 197 128.4 0.97 61 6.4924 31.48 9 255.29 40 0.0801 2.43 178 129.5 0.79 56 6.0200 34.26 10 255.37 47 0.0799 2.37 182 128.7 0.74 68 6.8324 39.82 11 256.04 40 0.0789 2.12 192 127.9 0.76 74 7.1508 34.08 12 256.61 35 0.0799 2.55 196 129.9 0.63 64 6.6484 36.97 13 256.62 40 0.0798 2.27 194 130.3 0.71 63 6.6341 37.12 14 256.76 51 0.0810 2.59 184 122.2 0.61 54 6.8075 36.27 15 257.23 38 0.0809 2.74 181 128.5 0.58 68 6.5591 40.57 16 257.49 44 0.0798 2.08 192 133.0 0.74 65 6.3271 24.96 17 257.72 48 0.0809 2.28 189 123.9 0.62 62 6.6834 36.78 18 258.05 45 0.0794 2.26 186 129.6 1.01 66 6.9363 45.91 19 258.19 45 0.0813 2.10 183 124.4 0.70 59 6.1437 28.43 20 258.59 42 0.0802 2.54 171 125.4 0.74 56 7.2574 45.20 Ave 253.51 42 0.0797 2.36 183 126.3 0.69 62 6.5771 36.10 +/- 5.07 4 0.0010 0.19 9 3.9 0.12 5 0.3152 5.13 Min 241.48 35 0.0774 2.08 166 116.0 0.56 54 6.0200 24.96 Max 258.59 51 0.0813 2.74 197 133.0 1.01 74 7.2574 45.91 Cut 0.90 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper QG ARG 48 - HB2 PHE 50 3.33 8 0.86 1.00 + +++ ++ + * peak 8215 HB2 PHE 50 - QB ALA 95 QD2 LEU 62 - QD PHE 392 Upper HA ALA 55 - QG2 THR 56 4.28 18 1.08 1.20 +++++++++ ++ ++++*++ peak 2114 Upper H LEU 62 - HA ALA 63 4.23 14 0.92 0.99 ++ +++++++ *+ +++ peak 876 Upper QD2 LEU 62 - H LEU 89 2.99 17 1.01 1.44 ++++ ++ +++++++++* + peak 8165 QD1 LEU 73 - H LEU 89 QB ALA 95 - QD PHE 350 Upper HB2 TRP 72 - HZ3 TRP 72 4.00 19 1.85 2.34 ++++++++++++++++++ * peak 212 Upper HE3 TRP 72 - HB3 LEU 73 4.11 20 1.54 1.96 ++*+++++++++++++++++ peak 208 Upper HE1 TRP 72 - HB3 LEU 86 3.58 20 1.96 2.74 ++++++++++++++*+++++ peak 8175 QB ALA 95 - QD TYR 352 Upper HB3 ARG 74 - HA PRO 75 3.52 10 0.89 1.41 + + ++ + + + ++* peak 2693 HA PRO 75 - HG LEU 84 Upper H GLU 81 - H LEU 84 3.81 7 0.78 1.20 + + + +* ++ peak 225 HD1 TRP 72 - QD1 LEU 86 Upper HA MET 83 - QD1 LEU 84 3.11 17 1.19 1.56 ++++ +++++++ ++++* + peak 8316 Upper HG LEU 84 - H GLU 85 4.14 7 0.52 1.38 + ++ * +++ peak 3021 Upper QD2 LEU 86 - HB2 LEU 87 3.72 10 0.84 2.51 + * +++ + ++ + + peak 3052 Upper QD2 LEU 86 - QD1 LEU 87 2.40 14 1.11 1.82 ++* ++++++ ++ +++ peak 3049 Upper H LEU 87 - HA VAL 88 3.93 8 0.91 1.22 ++++ * +++ peak 376 Upper H GLN 91 - QD PHE 92 4.79 17 1.11 1.29 +*+++ ++ +++ +++++++ peak 1149 Upper HA LEU 96 - HG2 PRO 97 3.73 9 0.89 0.95 *++++ ++ ++ peak 3408 Upper HG3 GLN 101 - QB ALA 102 4.48 14 0.92 1.22 ++++ ++++ +++*+ + peak 4091 Upper H GLU 113 - QB ALA 116 3.26 20 1.10 1.20 +++++++++++*++++++++ peak 8164 QB ALA 95 - QE PHE 350 Upper QB ALA 115 - H ALA 117 3.47 8 0.88 0.99 ++ + * ++ ++ peak 8265 HB2 PRO 112 - QD1 LEU 362 Upper QB ALA 115 - H ALA 117 3.32 11 0.90 1.00 ++ + +++ + *+ ++ peak 47 QE TYR 52 - HA THR 56 QE TYR 52 - HB THR 56 Upper H LEU 118 - QG2 VAL 119 4.48 7 0.35 1.02 + + + ++ *+ peak 8191 Upper QG ARG 348 - HB2 PHE 350 3.33 9 0.88 1.14 + +++++ +* + peak 8215 HB2 PHE 350 - QB ALA 395 QD PHE 92 - QD2 LEU 362 Upper HA ALA 355 - QG2 THR 356 4.28 20 1.12 1.21 ++++++++++++++++*+++ peak 2114 Upper H LEU 362 - HA ALA 363 4.23 10 0.91 1.04 ++ + + + + + *++ peak 876 Upper QD2 LEU 362 - H LEU 389 2.99 18 1.03 1.40 +++++ +++* +++++++++ peak 8165 QD1 LEU 373 - H LEU 389 QD PHE 50 - QB ALA 395 Upper QD1 LEU 365 - H GLU 367 3.79 6 0.79 1.28 +++ + * + peak 1147 H GLU 367 - QD1 LEU 384 H GLU 367 - QD1 LEU 387 H GLU 390 - QD2 LEU 393 Upper HB2 TRP 372 - HZ3 TRP 372 4.00 19 1.72 2.12 ++++++++++*+++++ +++ peak 212 Upper HE3 TRP 372 - HB3 LEU 373 4.11 20 1.69 2.26 +++++++++++++++++*++ peak 208 Upper HE1 TRP 372 - HB3 LEU 386 3.58 20 2.03 2.54 +++++++++++++++++++* peak 8175 QD TYR 52 - QB ALA 395 Upper QD1 LEU 373 - HA MET 383 3.73 7 0.66 1.36 + + + * ++ + peak 8264 QD2 LEU 62 - HB2 PRO 412 Upper QD2 LEU 373 - H LEU 386 3.08 6 0.72 1.21 * ++ + + + peak 8146 QE PHE 92 - QB ALA 361 Upper HB3 ARG 374 - HA PRO 375 3.52 8 0.89 1.53 + +* + + ++ + peak 2693 HA PRO 375 - HG LEU 384 Upper H GLU 381 - H LEU 384 3.81 8 0.85 1.35 ++ +++ + +* peak 225 HD1 TRP 372 - QD1 LEU 386 Upper HA MET 383 - QD1 LEU 384 3.11 19 1.23 1.62 +++++*++++++++++ +++ peak 8316 Upper QD2 LEU 386 - HB2 LEU 387 3.72 11 1.00 2.59 ++++++ ++ *+ + peak 3052 Upper QD2 LEU 386 - QD1 LEU 387 2.40 15 1.13 1.63 +++ +++ *+++++ + ++ peak 3049 Upper H LEU 387 - HA VAL 388 3.93 8 0.88 1.13 ++ + ++ ++* peak 376 Upper H GLN 391 - QD PHE 392 4.79 17 1.07 1.27 ++ + ++++++++++*+++ peak 1149 Upper H GLY 394 - QD1 LEU 396 3.14 7 0.79 1.12 + + + ++ *+ peak 8146 QE PHE 92 - QB ALA 361 Upper HA LEU 396 - HG2 PRO 397 3.73 6 0.87 0.94 + + + + +* peak 3408 Upper HA GLN 401 - HE22 GLN 401 4.97 6 0.67 1.01 + ++ + * + peak 477 Upper HG3 GLN 401 - QB ALA 402 4.48 13 0.92 1.17 +++ +* + ++++ ++ + peak 4091 Upper H GLU 413 - QB ALA 416 3.26 20 1.12 1.35 +++++++*++++++++++++ peak 8164 QE PHE 50 - QB ALA 395 Upper QB ALA 415 - H ALA 417 3.32 11 0.90 0.97 + * ++++++++ + peak 47 QE TYR 352 - HA THR 356 QE TYR 352 - HB THR 356 Upper QB ALA 415 - H ALA 417 3.47 6 0.87 0.97 + * +++ + peak 8265 QD1 LEU 62 - HB2 PRO 412 VdW HA2 GLY 39 - CD PRO 40 2.60 13 0.16 0.26 +++ + +*++ ++++ + VdW HB2 PHE 47 - CB LEU 68 2.60 6 0.09 0.46 ++ * ++ + VdW CG PHE 47 - C PHE 47 2.90 6 0.13 0.25 ++ + *++ VdW HD1 PHE 47 - HB2 LEU 68 2.00 9 0.15 0.38 * ++ + ++ + ++ VdW CE1 PHE 47 - HG LEU 65 2.60 6 0.09 0.39 ++ + + +* VdW CZ PHE 47 - HB2 LEU 87 2.60 8 0.15 0.43 +++ ++* + + VdW CE2 PHE 47 - HB2 LEU 87 2.60 6 0.11 0.31 +++* + + VdW CD2 PHE 47 - C PHE 47 3.10 8 0.14 0.42 + + + ++ +* + VdW N GLU 53 - CG GLU 53 2.85 8 0.19 0.20 + + + + + + *+ VdW CD1 LEU 62 - CG PHE 92 3.20 9 0.12 0.24 ++ + + +*+ ++ VdW H GLN 64 - CG GLN 64 2.55 7 0.13 0.41 + * + + +++ VdW H GLN 64 - HG2 GLN 64 1.95 8 0.12 0.33 + * ++ + +++ VdW HA ARG 66 - SG CYS 69 2.80 13 0.26 0.74 + +++++ * + ++++ + VdW O ARG 66 - SG CYS 69 3.10 7 0.19 0.61 * + +++ + + VdW CG GLU 67 - C GLU 67 2.90 8 0.15 0.24 +++ + ++ *+ VdW SG CYS 69 - N ARG 70 3.25 7 0.17 0.47 + + *+ ++ + VdW SG CYS 69 - H ARG 70 2.75 6 0.08 0.30 + * ++ + + VdW SG CYS 69 - CD1 LEU 84 3.40 6 0.09 0.28 *++ + + + VdW SG CYS 69 - CD2 LEU 84 3.40 7 0.14 0.44 + +++ +*+ VdW O CYS 69 - N LEU 73 2.75 9 0.20 0.56 +++* ++ +++ VdW CG TRP 72 - C TRP 72 2.90 18 0.22 0.26 ++++++++++++*+++++ VdW CD1 TRP 72 - C TRP 72 3.10 16 0.38 0.60 ++*++++ +++++++++ VdW CD1 TRP 72 - O TRP 72 2.90 9 0.26 0.82 ++ + *+ + + + + VdW CE2 TRP 72 - HG LEU 73 2.60 6 0.12 0.45 ++ ++ * + VdW HD1 TRP 72 - O TRP 72 2.30 13 0.25 0.49 *++++ ++ + ++++ + VdW CZ3 TRP 72 - HB3 LEU 87 2.60 9 0.19 0.64 *+ + + +++++ VdW CH2 TRP 72 - HB3 LEU 87 2.60 9 0.23 0.51 + ++ + ++* + + VdW HH2 TRP 72 - HB3 LEU 87 2.00 6 0.12 0.41 * + + ++ + VdW CD1 LEU 73 - CD2 LEU 87 3.20 8 0.15 0.43 + + ++ +*++ VdW HA ARG 74 - CD PRO 75 2.60 12 0.18 0.30 ++ ++ +++ *+ + ++ VdW C ARG 74 - H GLU 76 2.45 11 0.20 0.37 * +++ + ++ ++ + + VdW HB2 ARG 78 - SD MET 83 2.80 6 0.16 0.44 + *+ ++ + VdW CA LYS 80 - HG LEU 84 2.60 6 0.11 0.34 + * + + + + VdW HA LYS 80 - HG LEU 84 2.00 8 0.15 0.52 + + ++++ + * VdW O GLU 81 - HB3 GLU 85 2.30 11 0.22 0.52 ++ ++++ * ++ + + VdW N MET 83 - HG3 MET 83 2.45 7 0.10 0.41 + + ++ + * + VdW HB2 MET 83 - CE MET 83 2.60 9 0.16 0.33 +++ + +++ + * VdW O MET 83 - CG LEU 86 2.90 6 0.14 0.52 + +++* + VdW O MET 83 - HG LEU 86 2.30 6 0.17 0.79 + +++* + VdW O MET 83 - CD1 LEU 86 2.90 8 0.17 0.52 ++ ++*++ + VdW N LEU 84 - CD2 LEU 84 3.05 6 0.11 0.33 + ++* + + VdW HA LEU 84 - CD2 LEU 87 2.60 9 0.21 0.61 + +++ +* + + + VdW O LEU 84 - HB VAL 88 2.30 6 0.13 0.49 * +++ + + VdW CG GLU 85 - C GLU 85 2.90 10 0.15 0.24 ++ +++ + +* ++ VdW N LEU 87 - CD1 LEU 87 3.05 8 0.19 0.59 +++ +++ * + VdW H LEU 87 - CD1 LEU 87 2.55 8 0.16 0.74 +++ +++ + * VdW CD2 LEU 87 - H VAL 88 2.55 11 0.22 0.42 + +++++++ +* + VdW O LEU 87 - N GLN 91 2.75 11 0.22 0.47 +++ +++ +* ++ + VdW CG1 VAL 88 - N LEU 89 3.05 6 0.11 0.44 ++ + + * + VdW O VAL 88 - N PHE 92 2.75 16 0.30 0.42 +++++ ++ +++++ *+++ VdW O VAL 88 - H PHE 92 1.80 10 0.21 0.40 +++ ++ + *+ + + VdW O GLN 91 - N ALA 95 2.75 13 0.25 0.40 ++ ++ + +*++++ + + VdW HA LEU 93 - CD1 LEU 96 2.60 12 0.21 0.43 ++ + +++ + + +*++ VdW HB3 LEU 96 - HD2 PRO 97 2.00 16 0.26 0.43 ++++++++ *+ + +++++ VdW O LEU 96 - NE2 GLN 101 2.75 9 0.17 0.28 * ++ ++ + + ++ VdW CB PRO 97 - HD2 PRO 98 2.60 7 0.16 0.22 + + ++ + +* VdW HB2 PRO 97 - HD2 PRO 98 2.00 9 0.18 0.28 + ++++ + + +* VdW HG2 PRO 97 - CG1 ILE 100 2.60 12 0.19 0.31 ++ ++++++ + *++ VdW HG2 PRO 97 - HG12 ILE 100 2.00 11 0.21 0.46 *+ +++++ + +++ VdW O PRO 97 - HG3 GLN 101 2.30 19 0.49 0.62 ++++++++++++++++ +*+ VdW HG2 PRO 109 - H GLY 110 1.95 8 0.16 0.27 + + + + + +*+ VdW CB SER 111 - HD2 PRO 112 2.60 16 0.22 0.29 +++ ++++++++ *++++ VdW O GLU 114 - CD2 LEU 118 2.90 6 0.10 0.28 + +* + + + VdW H LEU 118 - CG LEU 118 2.55 10 0.15 0.31 ++ * ++++ + + + VdW CD1 LEU 122 - C LEU 122 3.10 7 0.15 0.27 + + + +++ * VdW HA2 GLY 339 - CD PRO 340 2.60 13 0.14 0.25 +++ + ++ * ++++++ VdW HA3 GLY 339 - CD PRO 340 2.60 6 0.09 0.29 +++ * + + VdW CZ PHE 347 - HB2 LEU 387 2.60 7 0.13 0.38 +++ + * + + VdW CE2 PHE 347 - HB2 LEU 387 2.60 6 0.11 0.45 *+ + ++ + VdW HD2 PHE 347 - HB2 LEU 368 2.00 6 0.08 0.36 + + ++*+ VdW N GLU 353 - CG GLU 353 2.85 8 0.19 0.20 ++ + ++ + + * VdW H GLN 364 - CG GLN 364 2.55 8 0.17 0.40 + + *+++ ++ VdW H GLN 364 - HG2 GLN 364 1.95 10 0.18 0.34 ++ + ++*+ + ++ VdW HA ARG 366 - SG CYS 369 2.80 10 0.23 0.62 + + ++ * ++ +++ VdW O ARG 366 - SG CYS 369 3.10 6 0.13 0.58 + * ++ + + VdW CG GLU 367 - C GLU 367 2.90 10 0.15 0.24 * + + +++ +++ + VdW CA LEU 368 - CD1 LEU 368 3.00 6 0.10 0.26 + * + + ++ VdW SG CYS 369 - N ARG 370 3.25 6 0.10 0.46 + * + ++ + VdW O CYS 369 - N LEU 373 2.75 8 0.18 0.45 +++ + *+ + + VdW O CYS 369 - H LEU 373 1.80 6 0.10 0.29 + * + ++ + VdW H GLN 371 - CG GLN 371 2.55 6 0.14 0.40 ++* + + + VdW CG TRP 372 - C TRP 372 2.90 17 0.23 0.26 + +++++++++*++++++ VdW CD1 TRP 372 - C TRP 372 3.10 20 0.47 0.67 ++++++++*+++++++++++ VdW CD1 TRP 372 - O TRP 372 2.90 7 0.27 1.01 + +++ +*+ VdW HD1 TRP 372 - C TRP 372 2.50 8 0.21 0.60 ++++++ * + VdW HD1 TRP 372 - O TRP 372 2.30 17 0.34 0.56 + ++++++++++ +++++* VdW CZ3 TRP 372 - HB3 LEU 387 2.60 6 0.16 0.40 + * + + ++ VdW CZ3 TRP 372 - HG LEU 387 2.60 6 0.10 0.36 *+ ++ + + VdW CH2 TRP 372 - HB3 LEU 387 2.60 7 0.18 0.61 + + + + ++* VdW CH2 TRP 372 - CD1 LEU 387 3.20 9 0.18 0.43 ++++++ *+ + VdW HA ARG 374 - CD PRO 375 2.60 12 0.19 0.30 + ++ +++* ++ + + + VdW C ARG 374 - H GLU 376 2.45 10 0.20 0.38 +++++* ++ + + VdW HB2 ARG 378 - SD MET 383 2.80 6 0.16 0.34 * +++ + + VdW CA LYS 380 - HG LEU 384 2.60 7 0.13 0.34 +*++ + + + VdW HA LYS 380 - HG LEU 384 2.00 8 0.15 0.47 ++ + + + *+ + VdW O LYS 380 - HB2 LEU 384 2.30 8 0.14 0.32 + *+ + + +++ VdW O LYS 380 - HG LEU 384 2.30 8 0.13 0.40 + + + + * + + + VdW O GLU 381 - HB3 GLU 385 2.30 12 0.21 0.46 ++ ++ + * ++ + +++ VdW N MET 383 - HG3 MET 383 2.45 7 0.12 0.35 + +++ +* + VdW CB MET 383 - CE MET 383 3.00 8 0.12 0.25 +++*+ ++ + VdW HB2 MET 383 - CE MET 383 2.60 10 0.20 0.42 + + ++* + ++ + + VdW C MET 383 - N GLU 385 2.95 7 0.12 0.37 + + + + * + + VdW C MET 383 - H GLU 385 2.45 8 0.18 0.50 + ++ * + + + + VdW O MET 383 - CG LEU 386 2.90 9 0.22 0.53 + ++ * ++ + + + VdW O MET 383 - HG LEU 386 2.30 10 0.26 0.73 + ++ + +* + + + + VdW O MET 383 - CD1 LEU 386 2.90 12 0.27 0.62 ++++ * +++ + +++ VdW HA LEU 384 - CD2 LEU 387 2.60 9 0.18 0.46 + + +++ + *++ VdW O LEU 384 - CB VAL 388 2.90 6 0.17 0.38 * ++ + + + VdW O LEU 384 - HB VAL 388 2.30 6 0.16 0.35 *++ + + + VdW O LEU 384 - CG2 VAL 388 2.90 7 0.17 0.47 +* +++ ++ VdW CG GLU 385 - C GLU 385 2.90 12 0.15 0.24 ++ ++ + *++ + +++ VdW N LEU 387 - CD1 LEU 387 3.05 12 0.27 0.55 ++++*++ ++ ++ + VdW H LEU 387 - CD1 LEU 387 2.55 9 0.20 0.68 +++++ + + * + VdW CD2 LEU 387 - H VAL 388 2.55 10 0.19 0.41 +*+++ +++ + + VdW O LEU 387 - N GLN 391 2.75 13 0.22 0.40 ++*+ + + ++ ++++ + VdW O LEU 387 - H GLN 391 1.80 6 0.15 0.34 +++ + * + VdW O VAL 388 - N PHE 392 2.75 18 0.28 0.44 ++++++++ +++++++++* VdW O VAL 388 - H PHE 392 1.80 16 0.23 0.36 + ++++++ +++++++ +* VdW O GLN 391 - N ALA 395 2.75 13 0.24 0.45 *+++ +++ + +++++ VdW HA LEU 393 - CD1 LEU 396 2.60 10 0.16 0.33 ++++* + + + ++ VdW HB3 LEU 396 - HD2 PRO 397 2.00 11 0.17 0.34 +++ + + +++ + * + VdW O LEU 396 - NE2 GLN 401 2.75 8 0.16 0.46 ++ + + + * ++ VdW HB2 PRO 397 - HD2 PRO 398 2.00 8 0.15 0.30 + + + ++ + *+ VdW HG2 PRO 397 - CG1 ILE 400 2.60 12 0.22 0.43 ++++++++ *+ + + VdW HG2 PRO 397 - HG12 ILE 400 2.00 8 0.15 0.43 + + ++++ * + VdW O PRO 397 - HG3 GLN 401 2.30 14 0.34 0.65 +++ +++*+++ ++ + + VdW N ILE 400 - CG1 ILE 400 2.85 6 0.07 0.24 +++ + + * VdW H ILE 400 - CG1 ILE 400 2.55 6 0.08 0.38 *++ + + + VdW CB GLN 407 - H ARG 408 2.55 6 0.11 0.40 + * + ++ + VdW CB SER 411 - HD2 PRO 412 2.60 16 0.23 0.30 +++* ++++++ ++ +++ + VdW O GLU 414 - CD2 LEU 418 2.90 6 0.13 0.27 +* + + + + VdW H LEU 418 - CG LEU 418 2.55 17 0.23 0.34 +++++ ++++++ +++++* VdW H LEU 418 - HG LEU 418 1.95 10 0.19 0.35 + ++*++ + ++ + Angle PHI PHE 47 -74.00 -54.00 6 3.64 7.84 *+++ + + Angle PSI CYS 49 -51.00 -5.00 18 7.06 9.59 + +++*+++++++++ ++++ Angle PSI PHE 50 120.00 140.00 13 6.12 10.28 + + +* ++++ + ++++ Angle PSI THR 56 -15.00 15.00 7 4.04 13.39 + * ++ + ++ Angle PSI PRO 58 -41.00 -31.00 8 4.16 9.79 + * + + + + ++ Angle PSI ARG 66 -50.00 -30.00 12 8.58 23.68 ++++ ++ + + ++* + Angle PHI GLU 67 -79.00 -59.00 11 5.25 12.47 +++ + * +++ + + + Angle PSI GLU 67 -50.00 -30.00 6 3.57 16.54 + + + + * + Angle PSI LEU 68 -52.00 -32.00 8 4.76 20.92 +* + ++ ++ + Angle PHI ARG 70 -73.00 -53.00 10 5.08 13.45 + ++* +++ ++ + Angle PSI ARG 70 -51.00 -31.00 12 7.55 28.05 +* ++ ++ + +++ ++ Angle PSI SER 79 155.00 175.00 14 9.37 19.88 ++++ ++ ++++ +* ++ Angle PHI LYS 80 -69.00 -49.00 7 5.27 23.16 +*+ ++ + + Angle PSI LYS 80 -48.00 -28.00 6 2.92 13.05 + *+ + + + Angle PSI GLU 81 -50.00 -30.00 12 10.62 27.13 + * ++++ + ++++ + Angle PHI GLN 82 -76.00 -56.00 12 8.33 21.45 ++ + + +++* ++++ Angle PSI GLN 82 -48.00 -28.00 7 6.57 32.31 + + ++ + + * Angle PHI MET 83 -75.00 -55.00 12 11.23 28.63 ++++ + ++ ++++ * Angle PSI MET 83 -52.00 -32.00 9 5.58 19.00 * +++ +++ + + Angle PHI LEU 84 -73.00 -53.00 7 6.61 37.12 + + + * +++ Angle PSI LEU 84 -52.00 -32.00 16 13.47 43.41 +* ++++++++ ++ ++++ Angle PHI GLU 85 -75.00 -55.00 7 4.77 24.70 +* + + + + + Angle PSI GLU 85 -54.00 -34.00 20 18.27 25.76 +++++++++++++*++++++ Angle PHI LEU 86 -74.00 -54.00 10 6.11 16.94 +++ + ++ * ++ + Angle PHI LEU 87 -77.00 -57.00 20 30.75 40.57 ++++++++++++++*+++++ Angle PHI VAL 88 -78.00 -58.00 13 8.11 23.73 + + ++ ++++ ++ +*+ Angle PSI VAL 88 -55.00 -35.00 16 17.29 27.54 ++++ ++++++++ +++* Angle PHI LEU 89 -70.00 -50.00 7 4.05 9.76 + + +* + + + Angle PSI LEU 89 -57.00 -37.00 8 3.47 7.54 * + +++ ++ + Angle PHI GLN 91 -74.00 -54.00 20 11.23 20.11 +++++++++++++++++*++ Angle PSI GLN 91 -46.00 -26.00 7 4.29 13.25 + + ++ + * + Angle PHI PHE 92 -74.00 -54.00 18 8.26 19.38 +++++++++ ++++++*+ + Angle PHI GLY 94 -80.00 -56.00 19 12.55 16.87 ++++++*+++++++++ +++ Angle PSI GLY 94 -46.00 -8.00 17 6.77 12.50 +++++*++++++++ + ++ Angle PSI PRO 97 132.20 154.90 19 19.06 22.77 +++++++++++ ++++++*+ Angle PSI PRO 98 -46.00 -28.00 18 7.89 19.04 ++++++++*++ ++ +++++ Angle PHI GLU 99 -76.00 -56.00 18 9.47 13.45 +++++++++++ ++ +++*+ Angle PHI ILE 100 -73.00 -53.00 20 12.62 18.48 ++++++++*+++++++++++ Angle PSI ALA 116 -50.00 -30.00 17 6.83 9.91 +++++++++++ * +++++ Angle PHI ALA 117 -74.00 -54.00 19 9.40 14.40 ++++++++++++++ +*+++ Angle PHI LEU 118 -79.00 -59.00 8 3.15 8.60 + + + + ++ +* Angle PSI LEU 345 -52.00 -32.00 7 3.95 8.08 + ++*+ + + Angle PHI PHE 347 -74.00 -54.00 11 4.83 10.22 ++ + * +++ + +++ Angle PSI CYS 349 -51.00 -5.00 17 7.59 12.09 +++*+++ +++++++++ + Angle PSI PHE 350 120.00 140.00 12 5.51 12.05 +++ ++ * +++ +++ Angle PSI THR 356 -15.00 15.00 8 5.62 19.75 + + + *+++ + Angle PSI PRO 358 -41.00 -31.00 6 3.02 9.24 + ++++ * Angle PHI GLN 359 -77.00 -57.00 9 4.22 8.20 + + + + +* + ++ Angle PSI ALA 363 -48.00 -28.00 6 3.70 10.32 + + *+ ++ Angle PSI ARG 366 -50.00 -30.00 12 7.38 20.70 + ++ +++ +* ++ ++ Angle PHI GLU 367 -79.00 -59.00 10 5.56 13.12 ++++ ++ + *+ + Angle PSI GLU 367 -50.00 -30.00 6 3.47 11.98 + * + + ++ Angle PSI LEU 368 -52.00 -32.00 7 4.61 16.43 + ++ + + +* Angle PHI CYS 369 -76.00 -56.00 7 3.83 14.75 +++++ * + Angle PSI CYS 369 -50.00 -30.00 6 2.61 8.67 * ++ + + + Angle PHI ARG 370 -73.00 -53.00 11 5.67 11.70 +++*+ + + +++ + Angle PSI ARG 370 -51.00 -31.00 12 5.99 19.12 ++++ + + +*+ + ++ Angle PSI SER 379 155.00 175.00 17 10.30 19.02 ++++++++++ ++ +*+++ Angle PHI LYS 380 -69.00 -49.00 8 4.11 15.03 + + + + ++ + * Angle PSI LYS 380 -48.00 -28.00 7 3.44 10.49 + +* ++ + + Angle PSI GLU 381 -50.00 -30.00 17 12.61 27.05 ++++++ + +++++* ++++ Angle PHI GLN 382 -76.00 -56.00 15 10.23 26.05 ++++ + + + ++++ ++*+ Angle PSI GLN 382 -48.00 -28.00 10 7.64 32.07 + + +++*+ + ++ Angle PHI MET 383 -75.00 -55.00 13 11.03 34.16 + + ++ +++ +*+ ++ + Angle PSI MET 383 -52.00 -32.00 9 5.58 22.89 ++ + * + + ++ + Angle PHI LEU 384 -73.00 -53.00 6 5.97 36.78 + + ++ +* Angle PSI LEU 384 -52.00 -32.00 16 15.29 28.93 +++++ + ++* +++++++ Angle PHI GLU 385 -75.00 -55.00 8 5.60 21.21 +++ *+ + + + Angle PSI GLU 385 -54.00 -34.00 20 18.59 24.89 +++++++++++++*++++++ Angle PHI LEU 386 -74.00 -54.00 9 4.89 19.70 + +++ + +* ++ Angle PHI LEU 387 -77.00 -57.00 20 31.40 45.91 +++++++++++++++++*++ Angle PHI VAL 388 -78.00 -58.00 12 6.39 14.89 + +*+ ++ ++++ ++ Angle PSI VAL 388 -55.00 -35.00 16 17.01 24.81 +++++*++ +++++++ + Angle PSI LEU 389 -57.00 -37.00 8 3.87 9.28 ++ + ++ + +* Angle PHI GLN 391 -74.00 -54.00 20 10.42 16.64 +++++++++++++++++*++ Angle PSI GLN 391 -46.00 -26.00 7 4.11 8.55 *+ + + + + + Angle PHI PHE 392 -74.00 -54.00 15 6.34 11.19 ++++++++ ++ ++*+ + Angle PHI GLY 394 -80.00 -56.00 17 11.30 24.29 ++++++++++*++ +++ + Angle PSI PRO 397 132.20 154.90 20 17.80 23.44 +++++++++++++*++++++ Angle PSI PRO 398 -46.00 -28.00 17 8.64 19.81 +++++++ +++++++* ++ Angle PHI GLU 399 -76.00 -56.00 15 7.84 14.06 +++ * ++++ +++++++ Angle PHI ILE 400 -73.00 -53.00 20 15.17 25.22 +++++++*++++++++++++ Angle PSI GLN 401 -51.00 -31.00 7 3.13 8.00 * + + + + ++ Angle PHI ARG 403 -73.00 -53.00 10 5.39 16.81 + *+ +++ + ++ + Angle PSI ALA 416 -50.00 -30.00 18 7.71 10.71 +++++ +++++++ +*++++ Angle PHI ALA 417 -74.00 -54.00 18 8.27 14.78 +++++++++++++* + +++ 45 violated distance constraints. 86 violated angle constraints. RMSDs for residues 40..122: Average backbone RMSD to mean : 0.71 +/- 0.19 A (0.43..1.11 A; 20 structures) Average heavy atom RMSD to mean : 1.20 +/- 0.16 A (0.89..1.53 A; 20 structures)