Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 22.56 110 0.0277 0.98 24 31.8 0.35 14 2.5480 19.86 2 25.51 117 0.0312 1.33 18 32.1 0.43 12 2.4895 19.86 3 27.25 127 0.0330 1.29 16 30.7 0.38 12 2.5132 19.79 4 27.55 128 0.0332 1.32 17 32.8 0.43 13 2.4832 19.58 5 27.69 121 0.0318 0.96 31 37.5 0.39 19 2.6253 19.23 6 27.99 132 0.0329 1.32 18 33.1 0.45 11 2.3867 19.22 7 28.03 139 0.0323 1.03 23 34.3 0.40 19 2.6892 19.67 8 28.56 136 0.0324 0.85 27 37.2 0.35 17 2.5335 19.53 9 29.51 118 0.0334 1.26 22 35.0 0.42 15 2.5976 19.46 10 29.96 133 0.0339 0.96 28 38.2 0.58 23 2.7353 20.13 11 30.36 144 0.0361 1.41 28 35.7 0.37 21 2.6047 19.56 12 30.41 151 0.0345 0.93 27 37.7 0.29 15 2.5126 19.14 13 31.09 130 0.0337 0.98 27 38.8 0.42 18 2.7578 19.87 14 31.64 143 0.0350 0.96 33 39.6 0.34 19 2.6883 19.77 15 32.01 140 0.0352 0.97 33 39.7 0.34 21 2.9887 19.19 16 32.25 136 0.0349 1.23 29 40.8 0.40 17 2.6742 19.64 17 32.48 158 0.0373 1.33 20 37.1 0.34 11 2.5512 19.36 18 33.30 135 0.0367 1.39 24 36.1 0.41 19 2.7141 19.57 19 33.34 149 0.0376 1.19 27 40.3 0.42 13 2.5954 19.28 20 34.85 146 0.0371 1.35 23 39.3 0.41 17 2.7311 20.16 Ave 29.82 135 0.0340 1.15 25 36.4 0.40 16 2.6210 19.59 +/- 2.91 12 0.0023 0.18 5 3.0 0.06 4 0.1292 0.29 Min 22.56 110 0.0277 0.85 16 30.7 0.29 11 2.3867 19.14 Max 34.85 158 0.0376 1.41 33 40.8 0.58 23 2.9887 20.16 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper H ARG 44 - HD2 ARG 44 5.50 19 0.20 0.34 ++++++ ++++*++++++++ peak 705 Upper QD PHE 47 - QG1 VAL 388 4.75 16 0.40 0.75 + ++++++ +++ +++ ++* peak 4111 Upper QD PHE 47 - QG2 VAL 388 4.17 7 0.07 0.20 * ++ + + ++ peak 3165 Upper HZ PHE 47 - H CYS 69 5.50 12 0.12 0.28 + ++ + +++ ++ +*+ peak 86 Upper HZ PHE 47 - HG LEU 387 3.81 7 0.24 0.81 + + ++ ++ * peak 296 Upper HZ PHE 47 - HB VAL 388 4.03 6 0.16 0.60 *+ + + + + peak 290 Upper HZ PHE 47 - QG1 VAL 388 3.76 14 0.42 0.78 + ++ ++ +++ +++ ++* peak 293 Upper HA PHE 50 - HB3 HIS 51 5.50 15 0.11 0.15 ++++ +++++*++ +++ peak 2038 Upper H TYR 52 - HG LEU 396 5.50 20 0.29 0.33 +++++++++++*++++++++ peak 793 Upper QD TYR 52 - QD1 LEU 396 4.32 20 0.36 0.37 ++++++++++*+++++++++ peak 251 Upper QE TYR 52 - QG2 THR 56 4.77 15 0.12 0.16 ++ +++ + ++++*++++ peak 1769 Upper QE TYR 52 - QB ALA 395 4.23 20 0.75 0.81 ++++++++++*+++++++++ peak 234 Upper QE TYR 52 - HB3 LEU 396 3.47 20 0.19 0.23 ++++++++*+++++++++++ peak 8330 Upper QG2 THR 56 - HE22 GLN 64 5.20 12 0.11 0.15 +* + +++ ++ ++ ++ peak 1770 Upper H GLY 57 - HG3 GLU 60 5.35 10 0.10 0.14 + ++ + + +++*+ peak 824 Upper HB2 PRO 58 - H VAL 419 5.50 19 0.24 0.37 +*++++++++ +++++++++ peak 2171 Upper HB3 PRO 58 - QD PHE 392 4.73 7 0.09 0.16 + +* + + ++ peak 8254 Upper HD3 PRO 58 - HE22 GLN 59 5.50 7 0.06 0.14 *+ ++ + + + peak 2162 Upper H GLN 59 - HG LEU 62 5.50 14 0.44 0.70 ++ +++* ++++++++ peak 839 Upper H LEU 62 - HG LEU 62 3.15 14 0.54 0.78 ++ ++++ *+++++++ peak 884 Upper H LEU 62 - QG1 VAL 388 5.50 9 0.10 0.29 + + + + + + ++* peak 886 Upper HG LEU 62 - HG3 PRO 412 4.14 6 0.39 1.39 ++ + *++ peak 3779 Upper QD1 LEU 62 - H LEU 65 5.50 6 0.23 0.93 ++ + +*+ peak 2306 Upper QD1 LEU 62 - HZ PHE 392 3.73 6 0.13 0.53 ++ * +++ peak 8306 Upper QD1 LEU 62 - HG2 PRO 412 5.50 11 0.14 0.33 + + ++ *++++++ peak 3750 Upper QD1 LEU 62 - H ALA 415 5.50 9 0.07 0.20 +* ++++ + ++ peak 8310 Upper QD2 LEU 62 - HA GLU 413 4.46 12 0.09 0.16 * ++++ +++++ ++ peak 8156 Upper QD2 LEU 62 - HG2 GLU 413 4.70 9 0.07 0.18 + ++ + +++*+ peak 2267 Upper H GLN 64 - HB3 LEU 65 5.50 20 0.33 0.42 ++++++*+++++++++++++ peak 2390 Upper H GLN 64 - HG LEU 65 5.50 11 0.28 0.58 + ++ + +++++ * + peak 2392 Upper H LEU 65 - HG2 GLU 67 5.50 8 0.08 0.22 + + + ++ + +* peak 2478 Upper QD1 LEU 65 - H PHE 392 4.40 11 0.14 0.29 * ++ + +++++ + + peak 2401 Upper QG ARG 66 - QG2 VAL 388 4.19 9 0.08 0.19 + + +++ + * ++ peak 3144 Upper H GLU 67 - HG LEU 68 5.50 7 0.24 0.78 +* + + + ++ peak 2527 Upper H GLU 67 - QD2 LEU 68 5.40 8 0.09 0.23 + *+ + ++ + + peak 956 Upper QD2 LEU 68 - H ARG 70 5.50 7 0.07 0.13 ++ *+ ++ + peak 991 Upper HA ARG 70 - QD1 LEU 384 3.65 14 0.13 0.26 + + + ++ + ++*+++++ peak 2996 Upper HG2 ARG 70 - QD1 LEU 384 4.48 19 0.15 0.24 ++++++++++ ++++++++* peak 2574 Upper HD2 ARG 70 - H ARG 74 5.50 10 0.10 0.20 +++ + + + ++ + * peak 2606 Upper H TRP 72 - HA ARG 74 5.50 14 0.14 0.23 + +++++ + ++++* ++ peak 2671 Upper HE1 TRP 72 - HA LEU 87 5.50 19 0.23 0.35 +++++++++++++*+++++ peak 250 Upper QD1 LEU 73 - HA MET 83 4.62 20 0.23 0.44 ++++++++*+++++++++++ peak 2972 Upper QD1 LEU 73 - H LEU 386 5.50 19 0.24 0.37 +++ ++++++++++*+++++ peak 1100 Upper QD1 LEU 73 - HG LEU 387 3.42 13 0.20 0.40 + +++ * ++ ++++++ peak 8278 Upper QD2 LEU 73 - H MET 83 5.50 7 0.07 0.21 +++ + * ++ peak 1072 Upper QD2 LEU 73 - QB LEU 384 4.59 13 0.16 0.52 + + +++ ++ +++* ++ peak 2938 Upper QD2 LEU 73 - HG LEU 387 4.12 16 0.19 0.34 +++++ + +++ ++++*++ peak 8184 Upper HD2 PRO 75 - HG LEU 384 3.83 8 0.15 0.54 + * + ++ ++ + peak 2684 Upper H GLU 76 - HB2 LYS 380 4.34 9 0.10 0.36 + * + + ++++ + peak 1014 Upper HB2 LYS 80 - H GLU 376 4.34 10 0.08 0.25 + + + + + ++* ++ peak 1014 Upper HB3 LYS 80 - QD1 LEU 84 5.50 6 0.06 0.13 + + * + + + peak 2849 Upper HE2 LYS 80 - H GLN 82 5.50 6 0.08 0.14 + + + + *+ peak 1054 Upper H GLU 81 - QD1 LEU 84 5.40 6 0.07 0.25 + + +* + + peak 1046 Upper HA MET 83 - QD2 LEU 86 4.33 9 0.13 0.38 + ++ ++ +* + + peak 2975 Upper QB LEU 84 - HB2 LEU 87 4.16 7 0.19 1.23 + +++ *++ peak 3001 Upper QB LEU 84 - QD2 LEU 373 4.59 14 0.16 0.33 + ++++ + ++ +++ * ++ peak 2938 Upper HG LEU 84 - HD2 PRO 375 3.83 9 0.16 0.55 +* ++ + + +++ peak 2684 Upper QD1 LEU 84 - HA ARG 370 3.65 9 0.09 0.27 + + + + +++ *+ peak 2996 Upper QD1 LEU 84 - HG2 ARG 370 4.48 15 0.14 0.23 ++++++++ ++* ++++ peak 2574 Upper H LEU 86 - QD1 LEU 373 5.50 19 0.24 0.39 +++++ ++++++++++*+++ peak 1100 Upper H LEU 87 - QD1 LEU 87 3.48 6 0.06 0.25 + ++ * + + peak 1104 Upper HG LEU 87 - QD1 LEU 373 3.42 15 0.25 0.63 ++++++ ++++++ + * + peak 8278 Upper HG LEU 87 - QD2 LEU 373 4.12 17 0.21 0.33 ++*++++++++++ ++ + + peak 8184 Upper H VAL 88 - HG2 PRO 112 4.45 6 0.06 0.15 + ++ + +* peak 1116 Upper HB VAL 88 - H LEU 89 3.24 10 0.46 0.98 + ++++*++ ++ peak 1130 Upper HB VAL 88 - HZ PHE 347 4.03 10 0.24 0.61 +++* +++ + ++ peak 290 Upper QG1 VAL 88 - QD PHE 347 4.75 12 0.30 0.76 + ++ +++++++ +* peak 4111 Upper QG1 VAL 88 - HZ PHE 347 3.76 10 0.31 0.72 + +++*+++ ++ peak 293 Upper QG2 VAL 88 - HG3 PRO 112 5.35 7 0.07 0.23 * + ++ + + + peak 3778 Upper QG2 VAL 88 - QG ARG 366 4.19 8 0.07 0.19 + + ++* ++ + peak 3144 Upper HB2 LEU 89 - H LEU 93 5.50 12 0.16 0.39 + +++ +++ *+++ + peak 1175 Upper QD1 LEU 89 - HD2 PRO 112 5.50 9 0.10 0.30 + +* + ++++ + peak 3775 Upper H GLN 91 - QD PHE 92 5.50 20 0.31 0.51 +++++*++++++++++++++ peak 1149 Upper H PHE 92 - HB3 PRO 112 4.83 6 0.05 0.22 + + + +* + peak 1166 Upper H PHE 92 - QD1 LEU 365 4.40 9 0.11 0.27 + + + + + *+ + + peak 2401 Upper QD PHE 92 - HB3 PRO 358 4.73 7 0.08 0.18 * ++ + + + + peak 8254 Upper HZ PHE 92 - H ASP 120 5.33 10 0.11 0.18 ++ + + +* ++ + + peak 628 Upper HZ PHE 92 - QD1 LEU 362 3.73 6 0.13 0.47 ++ + + + * peak 8306 Upper QB ALA 95 - QE TYR 352 4.23 20 0.74 0.81 +++++++++*++++++++++ peak 234 Upper HB3 LEU 96 - HE22 GLN 101 5.50 20 0.23 0.28 *+++++++++++++++++++ peak 1208 Upper HB3 LEU 96 - QE TYR 352 3.47 20 0.18 0.23 +++++*++++++++++++++ peak 8330 Upper HG LEU 96 - H TYR 352 5.50 20 0.30 0.39 +++++++++++++++*++++ peak 793 Upper QD1 LEU 96 - HG13 ILE 100 5.50 20 0.36 0.42 +++++++++++++++*++++ peak 3470 Upper QD1 LEU 96 - H ALA 102 5.50 12 0.10 0.12 ++++++++ + * + + peak 1212 Upper QD1 LEU 96 - QD TYR 352 4.32 20 0.36 0.40 +++++++++++++++*++++ peak 251 Upper QD2 LEU 96 - H ILE 100 5.47 18 0.13 0.16 +++++++++ +++++*+++ peak 284 Upper HD3 PRO 97 - HG13 ILE 100 5.50 20 0.21 0.31 ++++*+++++++++++++++ peak 3478 Upper HA GLU 99 - QD1 ILE 100 5.50 12 0.13 0.24 + + +++ ++++*+ + peak 2034 Upper QD1 ILE 100 - QB ARG 123 3.97 9 0.09 0.24 ++++* + ++ + peak 4039 Upper HG3 GLN 101 - H ARG 103 5.50 20 0.22 0.27 ++++++*+++++++++++++ peak 4102 Upper QB GLN 107 - H LEU 118 5.50 14 0.15 0.28 +++ + ++ + ++++++* peak 3622 Upper HA PRO 109 - HA2 GLY 110 4.44 20 0.15 0.17 ++++++++++++++*+++++ peak 3711 Upper H GLY 110 - HG2 GLU 114 5.50 12 0.11 0.19 + ++ +++* +++++ peak 1252 Upper HG2 PRO 112 - QD1 LEU 362 5.50 13 0.15 0.30 + ++ +++* +++++ + peak 3750 Upper HG3 PRO 112 - HG LEU 362 4.14 6 0.39 1.41 ++ + * + + peak 3779 Upper HA GLU 113 - QD2 LEU 362 4.46 13 0.09 0.18 + + ++++ +++++ + * peak 8156 Upper HB2 LEU 118 - H GLY 121 5.50 7 0.06 0.17 + + *+ +++ peak 3907 Upper H VAL 119 - HB2 PRO 358 5.50 20 0.26 0.36 +*++++++++++++++++++ peak 2171 Upper H GLY 121 - HB2 LEU 122 4.87 9 0.09 0.27 +++ + +* ++ + peak 1319 Upper H GLY 121 - QD1 LEU 122 4.70 9 0.12 0.42 +++ + + ++ *+ peak 1322 Upper H LEU 122 - QD1 LEU 122 3.37 9 0.10 0.25 ++* + + ++ ++ peak 3995 Upper HA LEU 122 - QD2 LEU 122 2.76 10 0.31 0.76 + *+ + ++ ++++ peak 934 Upper QD2 LEU 122 - H ARG 123 3.65 9 0.26 0.61 +++ + * ++ ++ peak 1302 Upper H ARG 344 - HD2 ARG 344 5.50 19 0.20 0.39 ++++++ ++++*++++++++ peak 705 Upper HZ PHE 347 - H CYS 369 5.50 9 0.09 0.30 + +++*+++ + peak 86 Upper HA PHE 350 - HB3 HIS 351 5.50 14 0.11 0.15 ++++ +++++ + +++ * peak 2038 Upper QE TYR 352 - QG2 THR 356 4.77 11 0.11 0.16 ++ + +++ + +* ++ peak 1769 Upper QG2 THR 356 - HE22 GLN 364 5.20 14 0.11 0.18 ++++ ++* + +++ ++ + peak 1770 Upper H GLY 357 - HG3 GLU 360 5.35 7 0.08 0.12 +++ + + * + peak 824 Upper H GLN 359 - HG LEU 362 5.50 14 0.43 0.66 + ++ ++++ +++++ + * peak 839 Upper H GLN 359 - QD1 LEU 362 4.76 6 0.04 0.18 +* + + + + peak 8308 Upper H LEU 362 - HG LEU 362 3.15 14 0.54 0.78 + *+ ++++ +++++ + + peak 884 Upper QD1 LEU 362 - H LEU 365 5.50 6 0.23 0.92 ++ + + * + peak 2306 Upper H GLN 364 - HB3 LEU 365 5.50 20 0.33 0.40 +++++++++*++++++++++ peak 2390 Upper H GLN 364 - HG LEU 365 5.50 9 0.23 0.54 + + * + + ++ + + peak 2392 Upper H LEU 365 - HG2 GLU 367 5.50 6 0.09 0.22 + +* + ++ peak 2478 Upper H GLU 367 - HG LEU 368 5.50 9 0.30 0.72 + *+ + ++ ++ + peak 2527 Upper H GLU 367 - QD2 LEU 368 5.40 7 0.07 0.26 ++ + ++ * + peak 956 Upper HD2 ARG 370 - H ARG 374 5.50 7 0.10 0.20 + ++ + * ++ peak 2606 Upper H TRP 372 - HA ARG 374 5.50 13 0.12 0.25 + + +++* +++++ + + peak 2671 Upper HE1 TRP 372 - HA LEU 387 5.50 20 0.28 0.44 +++++++++++++++++++* peak 250 Upper QD1 LEU 373 - HA MET 383 4.62 19 0.21 0.37 ++++++++++++++++ +*+ peak 2972 Upper QD2 LEU 373 - H MET 383 5.50 8 0.11 0.63 ++ + +++ * + peak 1072 Upper H GLU 376 - QG1 VAL 377 5.50 8 0.09 0.37 ++ + + + *+ + peak 2770 Upper H GLU 376 - QG2 VAL 377 4.03 8 0.08 0.37 ++ + + + *+ + peak 1007 Upper HA GLU 376 - QG2 VAL 377 5.12 8 0.12 0.34 ++ + + + ++ * peak 1736 Upper HG2 GLU 376 - QG1 VAL 377 3.10 8 0.29 0.79 ++ + + + +* + peak 2779 Upper HE2 LYS 380 - H GLN 382 5.50 8 0.09 0.16 + + + + + ++* peak 1054 Upper H GLU 381 - QD1 LEU 384 5.40 7 0.07 0.19 + * + + ++ + peak 1046 Upper HA MET 383 - QD2 LEU 386 4.33 7 0.11 0.41 ++ + + * ++ peak 2975 Upper HG3 MET 383 - QD1 LEU 386 5.18 6 0.07 0.21 + + +* ++ peak 3056 Upper HG LEU 386 - H LEU 387 5.02 6 0.05 0.25 + + +* ++ peak 3076 Upper H LEU 387 - QD1 LEU 387 3.48 10 0.11 0.27 + +++ +++ + +* peak 1104 Upper H VAL 388 - HG2 PRO 412 4.45 8 0.07 0.22 + + * ++ +++ peak 1116 Upper HB VAL 388 - H LEU 389 3.24 14 0.65 0.99 + ++ ++ +*+ +++ +++ peak 1130 Upper HB2 LEU 389 - H LEU 393 5.50 13 0.19 0.43 * + ++++++ +++ + + peak 1175 Upper QD1 LEU 389 - HD2 PRO 412 5.50 10 0.09 0.30 + ++++*++++ peak 3775 Upper H GLU 390 - HD3 PRO 412 5.49 7 0.06 0.20 + + +* + + + peak 411 Upper H GLN 391 - QD PHE 392 5.50 20 0.30 0.52 ++++++++*+++++++++++ peak 1149 Upper H PHE 392 - HB3 PRO 412 4.83 8 0.08 0.26 + + +++ +*+ peak 1166 Upper QE PHE 392 - H VAL 419 5.14 7 0.09 0.21 ++ + + *++ peak 131 Upper HZ PHE 392 - H ASP 420 5.33 10 0.11 0.19 + +++ + ++ *++ peak 628 Upper QD1 LEU 393 - H ALA 415 5.50 6 0.06 0.14 ++ + *+ + peak 3299 Upper HB3 LEU 396 - HE22 GLN 401 5.50 20 0.23 0.29 ++++++++++++*+++++++ peak 1208 Upper QD1 LEU 396 - HG13 ILE 400 5.50 20 0.35 0.41 ++++++++++++++*+++++ peak 3470 Upper QD1 LEU 396 - H ALA 402 5.50 12 0.10 0.12 ++ ++ +++ +++ +* peak 1212 Upper QD2 LEU 396 - H ILE 400 5.47 20 0.13 0.19 ++++++++++*+++++++++ peak 284 Upper HD3 PRO 397 - HG13 ILE 400 5.50 20 0.20 0.22 +++++*++++++++++++++ peak 3478 Upper HA GLU 399 - QD1 ILE 400 5.50 15 0.13 0.20 +++ ++++ +++ *++++ peak 2034 Upper QD1 ILE 400 - QB ARG 423 3.97 6 0.07 0.13 ++++ * + peak 4039 Upper HG3 GLN 401 - H ARG 403 5.50 20 0.23 0.27 +++++++++++++*++++++ peak 4102 Upper QB GLN 407 - H LEU 418 5.50 16 0.14 0.23 +++++++++ + ++ +++* peak 3622 Upper HA PRO 409 - HA2 GLY 410 4.44 20 0.16 0.18 ++++++++++++++*+++++ peak 3711 Upper H GLY 410 - HG2 GLU 414 5.50 12 0.12 0.24 + ++ ++ *++++++ peak 1252 Upper HB2 LEU 418 - H GLY 421 5.50 7 0.07 0.17 * ++ ++ + + peak 3907 Upper H GLY 421 - HB2 LEU 422 4.87 7 0.08 0.29 + +++ + * + peak 1319 Upper H GLY 421 - QD1 LEU 422 4.70 8 0.10 0.32 ++++* + + + peak 1322 Upper H LEU 422 - QD1 LEU 422 3.37 8 0.09 0.25 +++*+ + + + peak 3995 Upper HA LEU 422 - QD2 LEU 422 2.76 12 0.39 0.73 + ++++++++*+ + peak 934 Upper QD2 LEU 422 - H ARG 423 3.65 8 0.23 0.62 ++++* + + + peak 1302 VdW HZ PHE 47 - HA VAL 388 2.00 19 0.29 0.39 +++++ +++*++++++++++ VdW O PRO 58 - CD2 LEU 62 2.90 14 0.17 0.27 ++ ++++ ++*+++++ VdW CD1 LEU 62 - HB2 PRO 412 2.60 12 0.19 0.25 ++ +++* +++++ + VdW CD2 LEU 62 - HB2 PRO 412 2.60 6 0.10 0.34 +* + +++ VdW CG GLU 67 - C GLU 67 2.90 20 0.24 0.24 +*++++++++++++++++++ VdW CG TRP 72 - C TRP 72 2.90 13 0.21 0.24 ++ + + ++* ++++ ++ VdW N LEU 84 - CD1 LEU 84 3.05 12 0.22 0.43 + *++ +++ +++ ++ VdW CA LEU 84 - CD1 LEU 84 3.00 6 0.12 0.21 + + ++ +* VdW HA VAL 88 - HZ PHE 347 2.00 20 0.29 0.38 +++++++++*++++++++++ VdW CG1 VAL 88 - C VAL 88 2.90 6 0.10 0.25 +++ + *+ VdW CG2 VAL 88 - C VAL 88 2.90 8 0.12 0.27 + ++++*++ VdW HB3 LEU 96 - HD2 PRO 97 2.00 20 0.29 0.32 ++++*+++++++++++++++ VdW HB2 PRO 112 - CD1 LEU 362 2.60 13 0.19 0.27 + *+ +++ +++++ + + VdW HB2 PRO 112 - CD2 LEU 362 2.60 6 0.10 0.36 +* + + + + VdW H LEU 118 - CG LEU 118 2.55 20 0.22 0.24 ++++++++++++++++*+++ VdW O PRO 358 - CD2 LEU 362 2.90 14 0.17 0.27 + ++ ++++ +++++ + * VdW CG GLU 367 - C GLU 367 2.90 20 0.24 0.24 +*++++++++++++++++++ VdW HA LEU 368 - CD1 LEU 368 2.60 6 0.09 0.25 + + *+ + + VdW CG TRP 372 - C TRP 372 2.90 15 0.21 0.24 + ++++++++++++ *+ VdW O LYS 380 - CD2 LEU 384 2.90 7 0.10 0.25 + * ++ +++ VdW N LEU 384 - CD1 LEU 384 3.05 14 0.26 0.43 +*+ + +++ + ++++ ++ VdW CD1 LEU 387 - C LEU 387 3.10 7 0.12 0.45 + * ++ ++ + VdW H VAL 388 - CG1 VAL 388 2.55 7 0.12 0.24 + +* + ++ + VdW CG2 VAL 388 - C VAL 388 2.90 11 0.16 0.27 + ++ * +++ +++ + VdW HB3 LEU 396 - HD2 PRO 397 2.00 20 0.29 0.31 +*++++++++++++++++++ VdW H LEU 418 - CG LEU 418 2.55 19 0.22 0.24 ++++++++++ +++++++*+ Angle PSI PRO 58 -41.00 -31.00 14 6.42 11.89 ++ ++++ ++*+++++ Angle PHI GLN 59 -77.00 -57.00 14 5.73 9.20 ++ ++++ +*++++++ Angle PHI GLN 64 -78.00 -58.00 20 8.05 10.04 +++++++++++++++++++* Angle PHI GLU 85 -75.00 -55.00 7 3.24 6.62 * +++ ++ + Angle PSI VAL 88 -55.00 -35.00 7 3.10 6.40 + +* +++ + Angle PHI LEU 89 -70.00 -50.00 6 3.15 6.71 + ++ +*+ Angle PSI GLN 91 -46.00 -26.00 6 4.06 7.65 * + + ++ + Angle PSI PRO 97 132.20 154.90 20 19.44 20.16 +++++++++++++++++++* Angle PSI PRO 98 -46.00 -28.00 20 6.54 6.96 +++++++++*++++++++++ Angle PHI ILE 100 -73.00 -53.00 14 5.13 5.90 +++++*++++ + + ++ Angle PSI PRO 358 -41.00 -31.00 14 6.60 10.36 + ++ ++++ +++++ + * Angle PHI GLN 359 -77.00 -57.00 14 5.56 8.32 + ++ ++++ +++++ + * Angle PHI GLN 364 -78.00 -58.00 20 8.01 11.64 ++*+++++++++++++++++ Angle PHI GLU 367 -79.00 -59.00 7 3.18 6.81 + ++ + *+ + Angle PSI LYS 380 -48.00 -28.00 10 4.58 11.30 + + ++ ++ ++* + Angle PHI GLU 385 -75.00 -55.00 7 3.82 8.03 + * + + ++ + Angle PSI VAL 388 -55.00 -35.00 10 4.10 7.26 + + ++ +* ++ + + Angle PHI LEU 389 -70.00 -50.00 11 4.17 7.37 + ++ ++ +++ + + * Angle PSI PRO 397 132.20 154.90 20 19.46 19.88 +++++++++*++++++++++ Angle PSI PRO 398 -46.00 -28.00 20 6.57 7.10 +*++++++++++++++++++ Angle PHI ILE 400 -73.00 -53.00 8 4.99 5.97 + + +* +++ + 160 violated distance constraints. 21 violated angle constraints. RMSDs for residues 40..122: Average backbone RMSD to mean : 0.35 +/- 0.08 A (0.21..0.59 A; 20 structures) Average heavy atom RMSD to mean : 0.73 +/- 0.07 A (0.60..0.89 A; 20 structures)