Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 231.41 34 0.0763 2.10 155 114.3 0.56 67 6.2691 32.04 2 233.94 33 0.0786 2.11 137 106.9 0.54 51 5.2471 23.11 3 235.06 39 0.0775 2.05 156 109.6 0.62 66 5.9587 28.98 4 237.53 37 0.0777 2.05 164 115.1 0.58 62 5.6880 29.38 5 238.23 42 0.0800 2.20 125 99.4 0.49 60 5.2301 30.13 6 238.60 41 0.0784 1.95 154 107.4 0.46 56 6.1186 32.44 7 238.70 39 0.0777 1.90 160 117.9 0.74 59 6.3288 43.67 8 238.77 39 0.0783 2.18 155 108.8 0.54 63 5.7962 30.60 9 239.03 49 0.0788 1.96 152 107.7 0.50 47 5.0914 26.67 10 239.78 36 0.0783 2.15 162 113.5 0.60 66 5.6451 35.37 11 240.47 37 0.0786 1.97 156 114.9 0.56 54 5.7529 34.30 12 243.13 45 0.0793 2.13 165 112.9 0.62 52 5.3234 35.52 13 245.58 47 0.0799 2.08 152 109.1 0.56 54 5.5536 35.17 14 245.90 45 0.0786 2.06 184 124.9 0.57 59 5.8832 31.16 15 246.59 46 0.0804 2.09 149 111.7 0.58 55 5.9139 31.90 16 246.95 39 0.0811 2.15 138 105.4 0.49 52 5.3804 34.75 17 247.07 40 0.0802 2.16 156 115.8 0.51 59 5.6285 28.17 18 247.08 41 0.0801 2.17 156 112.8 0.55 70 6.0753 29.46 19 247.70 40 0.0793 1.97 165 119.4 0.51 62 6.1144 39.16 20 248.68 39 0.0796 1.87 171 118.1 0.64 54 5.7904 37.80 Ave 241.51 40 0.0789 2.07 156 112.3 0.56 58 5.7394 32.49 +/- 5.04 4 0.0011 0.09 12 5.6 0.06 6 0.3473 4.55 Min 231.41 33 0.0763 1.87 125 99.4 0.46 47 5.0914 23.11 Max 248.68 49 0.0811 2.20 184 124.9 0.74 70 6.3288 43.67 Cut 0.90 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper QE PHE 47 - QD2 LEU 68 4.46 6 0.51 0.96 ++ * ++ + peak 2531 H GLU 67 - QD2 LEU 68 Upper HA PHE 50 - HB3 HIS 51 4.65 12 0.90 0.96 ++ ++*+ + + ++++ peak 2038 Upper HA TYR 52 - H LEU 62 4.23 9 0.87 0.98 ++++ + + + + * peak 876 H LEU 62 - HA ALA 63 Upper HB3 PRO 58 - HG12 ILE 100 3.63 7 0.50 1.25 + ++ + * ++ peak 3476 HB3 PRO 97 - HG12 ILE 100 QB GLU 99 - HG12 ILE 100 Upper H GLN 59 - H ALA 61 3.22 18 0.96 1.03 ++++++++++++++ + +*+ peak 8300 QD1 LEU 62 - QG1 VAL 388 Upper H GLN 59 - HB2 LEU 62 3.17 20 1.32 1.46 +++++++++++*++++++++ peak 3639 QG1 VAL 77 - HD2 ARG 108 QG2 VAL 77 - HD2 ARG 108 Upper H LEU 62 - HG LEU 62 3.15 12 0.79 1.44 ++++ + + +*+ +++ peak 884 Upper QD2 LEU 62 - HA ALA 115 3.59 6 0.73 1.05 + * ++ ++ peak 3061 QD2 LEU 62 - HA ALA 116 HA LEU 73 - QD1 LEU 86 Upper HB2 TRP 72 - HZ3 TRP 72 4.00 14 1.55 2.16 + +++++ + ++ ++*++ peak 212 Upper HB3 TRP 72 - HZ3 TRP 72 4.11 8 1.22 2.20 + * ++++ + + peak 214 Upper HE3 TRP 72 - HB3 LEU 73 4.11 15 1.12 1.52 *++++++ ++++ + +++ peak 208 Upper QD1 LEU 73 - HA MET 83 3.84 7 0.59 1.25 + ++ + + *+ peak 8266 HB3 PRO 112 - QD2 LEU 362 Upper QD2 LEU 73 - QB LEU 84 3.56 13 0.84 1.52 + + +++ * ++ +++++ peak 1733 QG2 VAL 77 - HD3 ARG 108 Upper HB3 ARG 74 - HA PRO 75 3.52 20 1.46 1.60 +++++*++++++++++++++ peak 2693 Upper HA MET 83 - QD1 LEU 84 3.11 19 1.11 1.34 ++++++++++++++++* ++ peak 8316 Upper QE MET 83 - QD1 LEU 87 3.12 10 0.82 1.55 +++ ++ +* +++ peak 3117 QB LEU 84 - QD1 LEU 87 HB2 LEU 86 - QD1 LEU 87 Upper HG LEU 84 - H GLU 85 4.14 7 0.44 1.16 + +* + + ++ peak 3021 Upper H LEU 86 - HB2 LEU 87 3.77 13 0.84 1.31 + + +++ + +++ *+++ peak 1092 Upper H LEU 87 - HA VAL 88 3.93 11 0.99 1.40 +*+ ++ ++ + ++ + peak 376 Upper H GLN 91 - QD PHE 92 4.79 11 0.91 1.26 + +++++ * +++ + peak 1149 Upper QD1 LEU 96 - HA VAL 104 3.47 19 1.16 1.42 ++++++++++ ++++*++++ peak 3638 HD2 PRO 75 - HD2 ARG 108 Upper HG12 ILE 100 - HA VAL 119 3.27 6 0.54 1.24 + + * + + + peak 8317 HA VAL 119 - HB3 LEU 122 QD1 LEU 84 - HA ARG 108 Upper HG3 GLN 101 - QB ALA 102 4.48 10 0.77 1.34 + + + ++++ + *+ peak 4091 Upper HA ALA 102 - QQG VAL 104 2.95 19 1.04 1.40 ++++++ ++++++++*++++ peak 8165 QB ALA 95 - QD PHE 350 Upper H GLU 113 - H ALA 116 3.59 13 0.93 1.16 ++ ++ ++++* + + ++ peak 2933 H SER 79 - HA GLN 82 Upper HA PHE 350 - HB3 HIS 351 4.65 10 0.91 0.99 *++ ++ + ++ ++ peak 2038 Upper H HIS 351 - QB ALA 395 3.29 7 0.84 1.01 + ++++ *+ peak 8164 QE PHE 50 - QB ALA 395 Upper HA TYR 352 - H LEU 362 4.23 12 0.87 0.96 ++*+++++ + ++ + peak 876 H LEU 362 - HA ALA 363 Upper QD TYR 352 - H THR 356 3.95 6 0.62 1.06 ++ + ++ * peak 1046 H GLU 381 - QD1 LEU 384 Upper HA ALA 355 - QG2 THR 356 4.28 6 0.77 1.09 + + +++* peak 2114 Upper H GLN 359 - H ALA 361 3.22 18 0.95 1.02 ++++++*+++++++++ ++ peak 8300 QG1 VAL 88 - QD1 LEU 362 Upper H GLN 359 - HB2 LEU 362 3.17 20 1.30 1.42 *+++++++++++++++++++ peak 3639 QG1 VAL 377 - HD2 ARG 408 QG2 VAL 377 - HD2 ARG 408 Upper H LEU 362 - HG LEU 362 3.15 13 0.87 1.42 +++++ * + +++++ + peak 884 Upper QD1 LEU 365 - H GLU 367 2.96 6 0.58 1.74 ++ ++*+ peak 3068 H GLU 367 - QD1 LEU 387 QD2 LEU 373 - QD1 LEU 386 Upper HA TRP 372 - HD1 TRP 372 3.10 6 0.43 1.19 + + * +++ peak 50 Upper HB2 TRP 372 - HZ3 TRP 372 4.00 12 1.50 2.17 + ++ + +++ ++ *++ peak 212 Upper HB3 TRP 372 - HZ3 TRP 372 4.11 9 1.31 2.18 + + +* ++ +++ peak 214 Upper HE3 TRP 372 - HB3 LEU 373 4.11 13 1.02 1.46 ++ +++ ++*+++ ++ peak 208 Upper QD2 LEU 373 - QB LEU 384 3.56 11 0.71 1.61 + +* ++ +++++ + peak 1733 QG2 VAL 377 - HD3 ARG 408 Upper HB3 ARG 374 - HA PRO 375 3.52 20 1.45 1.72 +++++++++++++++*++++ peak 2693 Upper HA MET 383 - QD1 LEU 384 3.11 18 1.10 1.50 ++ +++++++*++++++++ peak 8316 Upper HG LEU 384 - H GLU 385 4.14 6 0.45 1.13 + + * + ++ peak 3021 Upper H LEU 386 - HB2 LEU 387 3.77 11 0.79 1.27 + ++ + +*++++ + peak 1092 Upper H LEU 387 - HA VAL 388 3.93 9 1.00 1.39 + ++ * + ++++ peak 376 Upper H GLN 391 - QD PHE 392 4.79 9 0.89 1.20 + +++++ * + + peak 1149 Upper H PHE 392 - H ALA 395 3.54 6 0.29 1.02 + + +*++ peak 914 HG3 GLU 360 - HE21 GLN 364 Upper QD1 LEU 396 - HA VAL 404 3.47 20 1.15 1.43 ++++++++*+++++++++++ peak 3638 HD2 PRO 375 - HD2 ARG 408 Upper HB3 PRO 397 - HG13 ILE 400 3.89 9 0.79 1.23 *++ +++ + ++ peak 3474 QB GLU 399 - HG13 ILE 400 Upper QG2 ILE 400 - HB2 GLN 401 3.51 6 0.73 1.14 + ++ * + + peak 1612 QG2 ILE 400 - HG3 GLN 401 Upper HG3 GLN 401 - QB ALA 402 4.48 9 0.75 1.31 ++ + + *+++ + peak 4091 Upper HA ALA 402 - QQG VAL 404 2.95 19 1.01 1.15 +++++++++++++++ *+++ peak 8165 QD PHE 50 - QB ALA 395 Upper H GLU 413 - H ALA 416 3.59 7 0.88 1.08 ++ + *+ + + peak 2933 H SER 379 - HA GLN 382 VdW HA2 GLY 39 - CD PRO 40 2.60 15 0.19 0.24 + ++ + +*++ +++++++ VdW HB2 PHE 47 - CB LEU 68 2.60 6 0.15 0.34 *+ + + + + VdW CG PHE 47 - C PHE 47 2.90 20 0.24 0.25 ++++++++++++++++*+++ VdW CZ PHE 47 - CD2 LEU 87 3.20 7 0.09 0.29 + + + +++ * VdW OG1 THR 56 - CB GLU 60 2.90 16 0.26 0.38 ++++++++ + ++ +++*+ VdW CB PRO 58 - HE2 PHE 92 2.60 7 0.12 0.33 + + + + + *+ VdW O PRO 58 - N LEU 62 2.75 15 0.25 0.42 + ++++++*+++++ ++ VdW O GLU 60 - HG2 GLN 64 2.30 6 0.16 0.37 + + + * + + VdW O GLU 60 - NE2 GLN 64 2.75 17 0.26 0.34 +++* +++ +++++++++ + VdW O ALA 63 - HB3 GLU 67 2.30 18 0.27 0.42 + *++++++++++++++++ VdW H GLN 64 - CG GLN 64 2.55 7 0.19 0.33 + + + ++ * + VdW H GLN 64 - HG2 GLN 64 1.95 15 0.24 0.32 + +++ +++ ++ *++++ + VdW CA LEU 65 - CD1 LEU 65 3.00 6 0.08 0.26 +++ +* + VdW O LEU 65 - SG CYS 69 3.10 7 0.15 0.44 * ++ + + + + VdW CG GLU 67 - N LEU 68 3.05 11 0.18 0.32 + +*+ + ++++++ VdW CA LEU 68 - CD1 LEU 68 3.00 9 0.12 0.26 ++ * ++ ++ + + VdW HA LEU 68 - CD1 LEU 68 2.60 10 0.17 0.48 +++ + ++ *+ + + VdW SG CYS 69 - HB3 LEU 84 2.80 6 0.13 0.45 ++ + + *+ VdW CG TRP 72 - C TRP 72 2.90 14 0.18 0.26 + +* + ++ + ++ +++++ VdW CG TRP 72 - N LEU 73 3.05 10 0.19 0.39 + ++ + ++ + + * + VdW CD1 TRP 72 - C TRP 72 3.10 15 0.26 0.44 + *+ ++++ + ++ +++++ VdW CZ3 TRP 72 - HG LEU 87 2.60 6 0.11 0.46 + * + ++ + VdW CH2 TRP 72 - HG LEU 87 2.60 6 0.13 0.48 + ++ ++ * VdW O TRP 72 - C LEU 73 2.80 7 0.14 0.43 ++ + ++ + * VdW HA LEU 73 - CD1 LEU 73 2.60 7 0.11 0.47 + * + + + ++ VdW HA ARG 74 - CD PRO 75 2.60 13 0.22 0.31 +++ ++++ +*+++ + VdW C ARG 74 - H GLU 76 2.45 18 0.33 0.38 ++++++++ *++++++++ + VdW HB2 LYS 80 - CE LYS 80 2.60 9 0.15 0.48 ++ +++ +* + + VdW O LYS 80 - HG LEU 84 2.30 9 0.16 0.47 + +++ +++ + * VdW O GLU 81 - HB3 GLU 85 2.30 15 0.24 0.42 ++ +++++++ ++ +*++ VdW C GLN 82 - HG2 GLU 85 2.50 6 0.12 0.31 + ++ + + * VdW CB MET 83 - CE MET 83 3.00 14 0.20 0.25 *++ + +++++ ++++ + VdW O MET 83 - CD2 LEU 86 2.90 14 0.28 0.47 + ++++++ +++ + + +* VdW O MET 83 - HD21 LEU 86 2.30 7 0.14 0.46 + ++* + + + VdW N LEU 84 - CD1 LEU 84 3.05 7 0.11 0.35 ++ ++ + + * VdW N LEU 84 - CD2 LEU 84 3.05 9 0.15 0.39 + +++ +++ * + VdW H LEU 84 - CD1 LEU 84 2.55 6 0.13 0.55 *+ ++ + + VdW HA LEU 84 - CD1 LEU 87 2.60 7 0.15 0.55 + + + +++ * VdW O LEU 84 - N VAL 88 2.75 8 0.18 0.41 + +++ *+ ++ VdW O LEU 84 - CB VAL 88 2.90 7 0.14 0.44 + + + +++ * VdW O LEU 84 - HB VAL 88 2.30 8 0.14 0.47 + + + +++ +* VdW HD21 LEU 86 - H LEU 87 1.95 6 0.10 0.31 +++ + * + VdW CD2 LEU 87 - C LEU 87 3.10 6 0.14 0.48 + + + +* + VdW O VAL 88 - N PHE 92 2.75 19 0.36 0.46 *++++++++++++++ ++++ VdW O VAL 88 - H PHE 92 1.80 17 0.25 0.34 ++++++++*++++ + + ++ VdW O LEU 93 - NE2 GLN 101 2.75 12 0.21 0.43 + ++ +++ +++ *++ VdW CB PRO 97 - HD2 PRO 98 2.60 9 0.19 0.26 + + + ++* +++ VdW HB2 PRO 97 - HD2 PRO 98 2.00 14 0.23 0.35 +++ + ++++*++ +++ VdW HG2 PRO 97 - HG12 ILE 100 2.00 7 0.13 0.52 ++ + * ++ + VdW HD2 PRO 97 - HB ILE 100 2.00 13 0.21 0.36 +++*+ ++++ ++ + + VdW O PRO 97 - HG3 GLN 101 2.30 9 0.21 0.54 + + + *++ ++ + VdW N ILE 100 - CD1 ILE 100 3.05 9 0.18 0.40 ++ +++ * + + + VdW O ILE 100 - N ARG 103 2.75 17 0.25 0.36 + +++++++++++++ +*+ VdW N GLU 114 - CG GLU 114 2.85 11 0.17 0.20 * +++ + ++++ ++ VdW H GLU 114 - CG GLU 114 2.55 17 0.31 0.40 + + ++++++ ++++++++* VdW O GLU 114 - CD2 LEU 118 2.90 13 0.22 0.30 + ++ * +++ +++ +++ VdW H LEU 118 - CG LEU 118 2.55 19 0.26 0.33 +++++ ++*+++++++++++ VdW HA2 GLY 339 - CD PRO 340 2.60 11 0.18 0.24 + * + ++++ +++ + VdW CG PHE 347 - C PHE 347 2.90 18 0.23 0.25 + ++*++++++++++ ++++ VdW CZ PHE 347 - CD2 LEU 387 3.20 10 0.16 0.49 + ++ + + +++ *+ VdW OG1 THR 356 - CB GLU 360 2.90 12 0.19 0.35 ++*++ + ++ + +++ VdW OG1 THR 356 - HG3 GLU 360 2.30 6 0.10 0.36 + + *+++ VdW O THR 356 - CG GLU 360 2.90 6 0.08 0.34 * + ++++ VdW O PRO 358 - N LEU 362 2.75 16 0.26 0.57 +++++++ +++ +*+ +++ VdW O PRO 358 - H LEU 362 1.80 6 0.20 0.54 + + + +* + VdW H GLU 360 - CG GLU 360 2.55 6 0.09 0.33 + + +*++ VdW O GLU 360 - NE2 GLN 364 2.75 13 0.21 0.30 +++ + +++ ++++ *+ VdW O ALA 361 - CD2 LEU 365 2.90 8 0.11 0.30 *+ + ++ + ++ VdW O ALA 363 - HB3 GLU 367 2.30 14 0.23 0.38 * ++ ++ +++++ ++++ VdW H GLN 364 - CG GLN 364 2.55 6 0.17 0.31 + + + + + * VdW H GLN 364 - HG2 GLN 364 1.95 15 0.21 0.28 ++++++ ++++ *+++ + VdW O GLN 364 - CD2 LEU 368 2.90 6 0.08 0.25 + ++*+ + VdW CA LEU 365 - CD1 LEU 365 3.00 7 0.09 0.26 ++ + +* + + VdW O LEU 365 - SG CYS 369 3.10 9 0.17 0.46 +* + + +++ + + VdW CG GLU 367 - N LEU 368 3.05 12 0.19 0.32 * ++ +++ ++++ + + VdW CA LEU 368 - CD1 LEU 368 3.00 8 0.11 0.26 *+ +++ + + + VdW HA LEU 368 - CD1 LEU 368 2.60 10 0.18 0.48 ++ +++++ + * + VdW HA CYS 369 - HE1 TRP 372 1.95 6 0.11 0.45 + + * +++ VdW H GLN 371 - CG GLN 371 2.55 6 0.12 0.37 + + + + +* VdW CG TRP 372 - C TRP 372 2.90 14 0.17 0.26 + ++ ++ ++++*+ +++ VdW CG TRP 372 - N LEU 373 3.05 6 0.15 0.38 + *+++ + VdW CD1 TRP 372 - C TRP 372 3.10 14 0.23 0.39 + ++ ++ *+++++ +++ VdW CZ3 TRP 372 - HG LEU 387 2.60 10 0.17 0.48 + + ++ + *+++ + VdW CH2 TRP 372 - HG LEU 387 2.60 7 0.15 0.53 + *+ + +++ VdW HH2 TRP 372 - CB LEU 387 2.60 7 0.11 0.32 + + + ++*+ VdW O TRP 372 - C LEU 373 2.80 8 0.13 0.31 * + +++ +++ VdW HA LEU 373 - CD1 LEU 373 2.60 8 0.16 0.50 + + ++ * + ++ VdW HA ARG 374 - CD PRO 375 2.60 14 0.21 0.30 ++++ ++ ++++++ *+ VdW C ARG 374 - H GLU 376 2.45 19 0.34 0.38 +++++++++*+++++++ ++ VdW HB2 LYS 380 - CE LYS 380 2.60 11 0.17 0.33 + +++ ++*+++ + VdW O LYS 380 - HG LEU 384 2.30 11 0.16 0.43 + + +++ + +*+++ VdW O GLU 381 - HB3 GLU 385 2.30 13 0.26 0.49 + +++++ ++ ++*++ VdW C GLN 382 - HG2 GLU 385 2.50 6 0.10 0.27 + + * + + + VdW CB MET 383 - CE MET 383 3.00 16 0.21 0.25 +*++ + +++++++++++ VdW O MET 383 - HG LEU 386 2.30 6 0.10 0.40 ++ * + + + VdW O MET 383 - CD1 LEU 386 2.90 6 0.12 0.56 +++ * ++ VdW O MET 383 - CD2 LEU 386 2.90 11 0.23 0.48 ++ ++* ++ ++ ++ VdW N LEU 384 - CD2 LEU 384 3.05 11 0.19 0.58 + * +++ + +++++ VdW HA LEU 384 - CD1 LEU 387 2.60 11 0.25 0.62 + *+ + + ++++ ++ VdW O LEU 384 - N VAL 388 2.75 8 0.19 0.37 + ++ + ++* + VdW O LEU 384 - H VAL 388 1.80 6 0.11 0.29 + + ++* + VdW O LEU 384 - CB VAL 388 2.90 8 0.15 0.54 + +* + ++++ VdW O LEU 384 - HB VAL 388 2.30 7 0.14 0.48 + +* ++++ VdW O GLU 385 - CB LEU 389 2.90 8 0.16 0.42 +++* + +++ VdW H LEU 387 - CD1 LEU 387 2.55 8 0.14 0.48 + + + ++*+ + VdW HA LEU 387 - CD1 LEU 387 2.60 6 0.11 0.41 * ++ + ++ VdW CD2 LEU 387 - C LEU 387 3.10 11 0.22 0.50 + ++ + + ++++ *+ VdW CD2 LEU 387 - N VAL 388 3.05 7 0.17 0.57 + * +++ ++ VdW O VAL 388 - N PHE 392 2.75 20 0.36 0.46 +++++++++++++++++*++ VdW O VAL 388 - H PHE 392 1.80 16 0.25 0.35 +++ ++ ++ +++ *+++++ VdW HA LEU 393 - CD1 LEU 396 2.60 8 0.16 0.34 ++ + + + + * + VdW O LEU 393 - NE2 GLN 401 2.75 7 0.15 0.33 ++ ++ + * + VdW HB3 LEU 396 - HD2 PRO 397 2.00 6 0.11 0.30 + ++ * + + VdW CB PRO 397 - HD2 PRO 398 2.60 11 0.21 0.27 ++ + + +++ + *++ VdW HB2 PRO 397 - HD2 PRO 398 2.00 17 0.25 0.35 +++++++++ ++++ + *++ VdW HG2 PRO 397 - CG1 ILE 400 2.60 6 0.12 0.27 +*++ + + VdW HG2 PRO 397 - HG12 ILE 400 2.00 7 0.12 0.45 +++ +*+ + VdW HD2 PRO 397 - HB ILE 400 2.00 15 0.22 0.37 +++++++++ + +++ +* VdW O PRO 397 - CG GLN 401 2.90 6 0.11 0.45 ++ + ++ * VdW O PRO 397 - HG3 GLN 401 2.30 10 0.21 0.56 ++ + ++ *++ ++ VdW N ILE 400 - CD1 ILE 400 3.05 9 0.17 0.49 ++ +*++ + + + VdW CA ILE 400 - CD1 ILE 400 3.00 8 0.10 0.30 ++ +*+ + + + VdW O ILE 400 - N ARG 403 2.75 16 0.24 0.37 ++++++++ +++ +*+ ++ VdW HA GLN 401 - CG1 VAL 404 2.60 6 0.13 0.27 + + + + * + VdW N GLU 414 - CG GLU 414 2.85 11 0.16 0.20 + ++ +*+ ++ + ++ VdW H GLU 414 - CG GLU 414 2.55 16 0.28 0.40 +++++ +++++ ++ *+++ VdW O GLU 414 - CD2 LEU 418 2.90 11 0.19 0.34 +++++ + +*+++ VdW H LEU 418 - CG LEU 418 2.55 16 0.22 0.34 +++*++ + +++++++++ VdW CD1 LEU 422 - C LEU 422 3.10 6 0.10 0.26 + + ++* + Angle PSI PRO 40 -35.00 -19.00 10 4.91 6.90 + *+ +++ ++ ++ Angle PHI PHE 47 -74.00 -54.00 10 5.28 10.01 +++ ++ + * +++ Angle PSI THR 56 -15.00 15.00 11 6.03 18.00 +++ ++ + + + * ++ Angle PHI GLN 59 -77.00 -57.00 10 5.60 11.60 + ++ +++ ++ *+ Angle PSI GLN 59 -46.00 -26.00 10 5.67 10.28 + +++ +* + ++ + Angle PHI LEU 65 -71.00 -51.00 16 7.62 11.82 +++++ ++ + +++++*++ Angle PSI LEU 65 -52.00 -32.00 15 5.49 11.61 +++*+ +++ + ++++++ Angle PHI GLU 67 -79.00 -59.00 6 3.43 9.61 + + +* ++ Angle PHI VAL 77 -118.00 -86.00 10 4.95 7.77 + ++ * + ++ +++ Angle PSI GLU 81 -50.00 -30.00 12 6.70 16.03 *+ + +++ ++ ++ ++ Angle PHI GLN 82 -76.00 -56.00 18 14.51 21.71 ++ +++++++++++* ++++ Angle PHI MET 83 -75.00 -55.00 15 10.31 22.05 + ++ *++ +++++++ ++ Angle PSI MET 83 -52.00 -32.00 17 10.53 22.93 *+ +++++ +++++ +++++ Angle PSI LEU 84 -52.00 -32.00 10 7.88 31.90 ++ ++ +++ *++ Angle PHI GLU 85 -75.00 -55.00 6 4.05 29.34 + + + *++ Angle PSI GLU 85 -54.00 -34.00 15 14.30 27.64 + + ++++ +++++ *+++ Angle PHI LEU 86 -74.00 -54.00 16 12.83 34.75 +++++ ++++++++*++ Angle PHI LEU 87 -77.00 -57.00 17 23.61 38.71 + ++ +*++++++++ ++++ Angle PSI LEU 87 -51.00 -31.00 6 4.90 23.11 *+ + ++ + Angle PHI LEU 89 -70.00 -50.00 6 3.64 7.75 * +++ ++ Angle PHI GLU 90 -73.00 -53.00 15 6.40 10.77 ++++ ++ +++++ *+++ Angle PHI GLN 91 -74.00 -54.00 20 8.76 12.67 +++++++++++*++++++++ Angle PSI GLN 91 -46.00 -26.00 19 9.07 12.58 +++++*++ +++++++++++ Angle PHI PHE 92 -74.00 -54.00 9 3.63 10.71 ++ + + +++ *+ Angle PSI PRO 97 132.20 154.90 20 21.40 24.70 ++++++++++++*+++++++ Angle PSI PRO 98 -46.00 -28.00 19 8.32 14.09 *++++++++++++++++++ Angle PHI GLU 99 -76.00 -56.00 18 13.28 18.08 +++++++++++++++ +*+ Angle PHI ILE 100 -73.00 -53.00 18 8.64 13.82 *+++++++ ++ ++++++++ Angle PHI GLN 101 -71.00 -51.00 18 7.82 12.57 + ++++++++++ ++++*++ Angle PHI ARG 103 -73.00 -53.00 10 4.85 8.60 + + + + + *+++ + Angle PHI GLY 110 58.00 92.00 16 9.18 13.15 + ++ + +++ ++++*++++ Angle PSI PRO 112 -44.00 -28.00 8 3.85 6.60 * ++ ++ +++ Angle PSI ALA 115 -49.00 -29.00 20 8.09 10.73 +*++++++++++++++++++ Angle PSI ALA 116 -50.00 -30.00 13 5.42 9.86 +++++ ++ ++++* + Angle PHI ALA 117 -74.00 -54.00 8 4.67 9.54 + + * + + ++ + Angle PHI ASP 120 -69.00 -49.00 7 2.46 8.78 ++ * ++ + + Angle PHI GLY 121 -84.00 -58.00 6 3.76 7.52 *++ + + + Angle PSI PRO 340 -35.00 -19.00 9 4.75 6.41 + +* +++++ + Angle PHI PHE 347 -74.00 -54.00 9 4.83 9.78 * ++ + + + ++ + Angle PSI PHE 350 120.00 140.00 7 3.61 9.00 ++ + + +* + Angle PSI THR 356 -15.00 15.00 14 8.89 17.45 * ++ +++ ++++++ ++ Angle PHI GLN 359 -77.00 -57.00 13 5.47 10.63 +++++++ + + ++ *+ Angle PSI GLN 359 -46.00 -26.00 6 4.46 8.67 * + + + ++ Angle PHI GLN 364 -78.00 -58.00 7 3.00 8.92 + *+ + + + + Angle PHI LEU 365 -71.00 -51.00 14 6.98 11.94 +++*+ + +++++++ + Angle PSI LEU 365 -52.00 -32.00 12 5.54 9.65 +*+++ + + ++ +++ Angle PHI ARG 366 -76.00 -56.00 8 4.01 12.15 * ++ + + + ++ Angle PHI VAL 377 -118.00 -86.00 6 4.52 9.75 ++ *+ ++ Angle PSI GLU 381 -50.00 -30.00 17 9.03 20.63 + *+++++ +++ +++++++ Angle PHI GLN 382 -76.00 -56.00 20 16.93 28.23 ++*+++++++++++++++++ Angle PHI MET 383 -75.00 -55.00 19 11.23 21.18 + +++++++++++++++++* Angle PSI MET 383 -52.00 -32.00 19 10.41 25.19 +++++*+++++ ++++++++ Angle PHI LEU 384 -73.00 -53.00 6 4.14 18.22 *+ + ++ + Angle PSI LEU 384 -52.00 -32.00 13 8.47 22.26 + +++ ++ + +++*+ + Angle PSI GLU 385 -54.00 -34.00 12 13.18 27.02 + ++ + ++++++ *+ Angle PHI LEU 386 -74.00 -54.00 20 12.89 30.60 +++++++*++++++++++++ Angle PSI LEU 386 -51.00 -31.00 8 4.46 16.55 + +++* + ++ Angle PHI LEU 387 -77.00 -57.00 18 22.92 43.67 ++++ +*+++++++ +++++ Angle PSI LEU 387 -51.00 -31.00 10 6.14 25.59 + +++ * + ++++ Angle PHI GLU 390 -73.00 -53.00 10 5.59 13.71 ++ ++ * ++ + ++ Angle PHI GLN 391 -74.00 -54.00 20 9.82 13.82 +++++++++++++++*++++ Angle PSI GLN 391 -46.00 -26.00 19 8.96 13.51 +++++++++*++++ +++++ Angle PHI PHE 392 -74.00 -54.00 9 4.16 11.19 ++ + + ++ + +* Angle PSI PRO 397 132.20 154.90 20 22.02 24.88 +++++++++++++++++*++ Angle PSI PRO 398 -46.00 -28.00 19 8.49 11.98 ++++++++++++++++ +*+ Angle PHI GLU 399 -76.00 -56.00 19 14.10 17.35 ++++++++++++++++ +*+ Angle PHI ILE 400 -73.00 -53.00 18 8.07 12.08 ++++++*+++ +++ +++++ Angle PHI GLN 401 -71.00 -51.00 13 6.79 12.45 +++ +++ +++ +* ++ Angle PHI ARG 403 -73.00 -53.00 11 5.18 9.23 + +++ +++ * + ++ Angle PHI GLY 410 58.00 92.00 16 8.86 14.20 + ++ + ++++ ++++*+++ Angle PSI ALA 415 -49.00 -29.00 20 8.61 11.09 +++++++++*++++++++++ Angle PSI ALA 416 -50.00 -30.00 16 5.49 8.05 +++*++ + +++++++++ Angle PHI ALA 417 -74.00 -54.00 11 5.86 11.93 + ++ + + *+ ++ ++ Angle PHI GLY 421 -84.00 -58.00 9 4.01 7.64 +++++ + ++* 52 violated distance constraints. 74 violated angle constraints. RMSDs for residues 40..122: Average backbone RMSD to mean : 0.50 +/- 0.12 A (0.29..0.75 A; 20 structures) Average heavy atom RMSD to mean : 0.96 +/- 0.10 A (0.79..1.14 A; 20 structures)