Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 30.43 105 0.0319 1.13 35 38.5 0.46 19 2.8432 19.26 2 31.62 137 0.0339 0.99 38 38.2 0.44 19 2.9775 20.98 3 31.64 123 0.0327 1.26 38 38.3 0.45 16 2.8502 18.97 4 31.97 124 0.0314 1.21 41 39.4 0.49 20 3.0492 19.11 5 32.03 125 0.0345 1.32 30 37.4 0.35 14 2.6141 20.89 6 32.15 125 0.0321 1.00 36 38.1 0.45 19 3.0347 19.37 7 32.56 138 0.0340 1.29 38 40.0 0.49 19 2.8497 19.38 8 32.79 120 0.0363 1.31 36 37.8 0.43 17 2.7637 19.10 9 33.03 128 0.0331 1.36 44 41.9 0.45 19 2.8236 19.30 10 33.57 134 0.0344 1.22 36 41.9 0.46 17 3.0133 19.11 11 33.73 142 0.0358 1.23 37 35.0 0.45 22 3.0036 19.26 12 33.97 137 0.0355 1.32 38 39.5 0.48 19 2.9176 19.29 13 34.00 153 0.0342 0.94 33 39.7 0.41 15 2.7228 19.07 14 34.00 135 0.0364 1.24 36 37.6 0.33 23 2.9122 19.28 15 34.22 133 0.0335 1.31 39 41.5 0.51 23 3.2860 19.27 16 34.34 137 0.0348 1.03 37 39.5 0.47 19 3.0787 19.74 17 34.41 139 0.0345 1.22 42 40.5 0.68 17 2.8729 19.21 18 34.85 166 0.0351 1.19 37 40.4 0.46 16 2.7390 19.22 19 35.16 132 0.0350 1.39 46 45.0 0.43 25 3.0251 19.43 20 35.71 154 0.0362 1.35 35 39.4 0.44 20 2.7534 18.96 Ave 33.31 134 0.0343 1.21 38 39.5 0.46 19 2.9065 19.41 +/- 1.34 13 0.0014 0.13 4 2.1 0.07 3 0.1517 0.53 Min 30.43 105 0.0314 0.94 30 35.0 0.33 14 2.6141 18.96 Max 35.71 166 0.0364 1.39 46 45.0 0.68 25 3.2860 20.98 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 9 0.10 0.21 + + ++ +++ + * peak 705 Upper H LEU 45 - HG LEU 45 3.64 6 0.06 0.35 *+ + ++ + peak 686 Upper QD PHE 47 - QG1 VAL 388 4.75 18 0.54 1.00 ++++ *++++++++++ +++ peak 4111 Upper HZ PHE 47 - H CYS 69 5.50 7 0.07 0.18 + + * +++ + peak 86 Upper HZ PHE 47 - HA CYS 69 5.50 8 0.07 0.16 + + + * +++ + peak 285 Upper HZ PHE 47 - HB VAL 388 4.03 9 0.20 0.50 + ++ + * ++++ peak 290 Upper HZ PHE 47 - QG1 VAL 388 3.76 11 0.35 0.79 + + + +++ ++* ++ peak 293 Upper HZ PHE 47 - HA GLN 391 5.25 7 0.07 0.22 + + ++ * + + peak 87 Upper HA PHE 50 - HB3 HIS 51 5.50 19 0.13 0.15 ++++ ++++++++++++++* peak 2038 Upper HB2 PHE 50 - QD1 LEU 68 4.43 8 0.06 0.22 + +++ *+ + + peak 2484 Upper QE PHE 50 - HG LEU 65 4.56 11 0.11 0.30 ++++ + + * +++ + peak 270 Upper HB3 HIS 51 - QB ALA 395 4.50 6 0.06 0.17 + + * + + + peak 8174 Upper H TYR 52 - HG LEU 396 5.50 20 0.20 0.30 ++++*+++++++++++++++ peak 793 Upper H TYR 52 - HD2 PRO 397 5.50 19 0.21 0.32 ++++*+++++ +++++++++ peak 789 Upper QD TYR 52 - QD1 LEU 396 4.32 20 0.29 0.36 ++++*+++++++++++++++ peak 251 Upper QE TYR 52 - QB ALA 395 4.23 20 0.74 0.82 ++++*+++++++++++++++ peak 234 Upper QE TYR 52 - HB3 LEU 396 3.47 20 0.29 0.34 +*++++++++++++++++++ peak 8330 Upper H GLU 53 - HB THR 56 5.43 10 0.10 0.22 + ++ +*+ + ++ + peak 2120 Upper HB2 PRO 58 - H VAL 419 5.50 16 0.16 0.27 +++++ + +++ *+++++ + peak 2171 Upper HD3 PRO 58 - HE22 GLN 59 5.50 6 0.04 0.12 + + + + + * peak 2162 Upper H GLN 59 - HG3 GLN 59 3.73 9 0.07 0.21 ++ + + *+++ + peak 2219 Upper H GLN 59 - HG LEU 62 5.50 11 0.38 0.76 ++ ++ * + ++++ + peak 839 Upper HG2 GLN 59 - QD1 LEU 62 5.50 6 0.06 0.24 + + + + + * peak 2208 Upper HG3 GLN 59 - QB ALA 416 3.59 8 0.07 0.21 ++ * + +++ + peak 1622 Upper H LEU 62 - HG LEU 62 3.15 11 0.41 0.83 ++ +* + + ++++ + peak 884 Upper H LEU 62 - HG LEU 65 5.50 10 0.08 0.30 +++* + + +++ + peak 2392 H GLN 64 - HG LEU 65 Upper H LEU 62 - QG1 VAL 388 5.50 9 0.14 0.46 + + +++ *+ ++ peak 886 Upper HG LEU 62 - HG3 PRO 412 4.14 9 0.57 1.39 +++ + + + ++* peak 3779 Upper QD1 LEU 62 - H LEU 65 5.50 9 0.33 0.88 +++ + + + ++* peak 2306 Upper QD1 LEU 62 - HZ PHE 392 3.73 9 0.20 0.54 ++* + + + +++ peak 8306 Upper QD1 LEU 62 - HG2 PRO 412 5.50 9 0.09 0.24 +* ++ + + ++ + peak 3750 Upper QD1 LEU 62 - H ALA 415 5.50 6 0.06 0.22 + + + + + * peak 8310 Upper H GLN 64 - HB3 LEU 65 5.50 19 0.23 0.35 +++ ++++++++*+++++++ peak 2390 Upper HE22 GLN 64 - QD1 LEU 68 5.50 16 0.22 0.33 ++++ ++++++++*+ ++ peak 929 Upper QD1 LEU 65 - HA GLN 391 5.43 10 0.11 0.27 ++++ + + + * + + peak 3219 Upper QD1 LEU 65 - H PHE 392 3.71 8 0.07 0.20 *+ + + +++ + peak 1170 Upper QD2 LEU 65 - H GLN 391 5.50 7 0.07 0.22 + ++ * +++ peak 1153 Upper QB ARG 66 - H VAL 388 5.50 13 0.12 0.21 + ++++ ++++ ++ *+ peak 2448 Upper QB ARG 66 - QG1 VAL 388 3.38 6 0.06 0.19 *++ + + + peak 8199 Upper QG ARG 66 - HG3 GLU 67 5.50 6 0.05 0.20 + * + ++ + peak 2459 Upper H GLU 67 - HG LEU 68 5.50 9 0.33 0.77 ++ *++ ++ + + peak 2527 Upper HA ARG 70 - QD1 LEU 384 3.24 8 0.07 0.19 ++ * + + +++ peak 2996 Upper QB ARG 70 - QD1 LEU 384 4.19 17 0.18 0.45 + ++++ +++++++++++* peak 2573 Upper HG3 ARG 70 - H ARG 74 5.50 8 0.09 0.21 + ++ * ++ + + peak 2604 Upper HG3 ARG 70 - QD1 LEU 384 4.63 6 0.08 0.16 +++ *++ peak 2572 Upper HD3 ARG 70 - QD1 LEU 384 5.50 10 0.10 0.18 +*+ + +++ +++ peak 2567 Upper H GLN 71 - QG ARG 74 4.70 11 0.09 0.23 + ++ + *++ ++++ peak 286 Upper H TRP 72 - QD2 LEU 73 5.50 6 0.08 0.27 + * +++ + peak 1341 Upper HB2 TRP 72 - H ARG 74 5.50 15 0.27 0.53 +++++ ++ ++*++++ + peak 2647 Upper HZ2 TRP 72 - QD2 LEU 387 3.96 13 0.15 0.56 +++ ++*+++ ++ + + peak 8227 Upper HH2 TRP 72 - QD1 LEU 387 3.91 7 0.15 0.67 + + +++ * + peak 205 Upper HB2 LEU 73 - H MET 83 5.50 12 0.12 0.32 ++ + + ++++ +*++ peak 1076 Upper HB3 LEU 73 - HG2 MET 83 5.07 6 0.07 0.20 *+ + + + + peak 2961 Upper QD1 LEU 73 - HB3 MET 383 4.98 7 0.08 0.33 + +* + +++ peak 2963 Upper QD1 LEU 73 - H LEU 386 5.50 10 0.13 0.33 + * + + +++++ + peak 1100 Upper QD1 LEU 73 - HG LEU 387 3.42 10 0.18 0.49 + ++ + + +++ + * peak 8278 Upper QD2 LEU 73 - QB LEU 384 4.08 8 0.12 0.67 +* ++ + + + + peak 2938 Upper QD2 LEU 73 - HG LEU 387 4.12 8 0.10 0.35 ++ * +++ + + peak 8184 Upper QG ARG 74 - H ARG 78 5.23 6 0.08 0.19 ++ ++ * + peak 2673 Upper HD3 PRO 75 - HG LEU 384 4.43 6 0.08 0.31 + + * ++ + peak 2677 Upper H GLU 76 - QD1 LEU 384 5.50 10 0.09 0.21 +++ ++ + +++* peak 1008 Upper HB3 LYS 80 - HE3 LYS 80 4.87 7 0.06 0.19 + + *+ ++ + peak 2872 Upper HB3 LYS 80 - QD1 LEU 84 5.45 7 0.05 0.19 + + + + * ++ peak 2849 Upper HE2 LYS 80 - H GLN 82 5.50 11 0.12 0.22 + * + +++ ++ +++ peak 1054 Upper HE3 LYS 80 - QB PRO 375 5.01 6 0.06 0.26 * ++ ++ + peak 2873 Upper HB3 MET 83 - QD1 LEU 373 4.98 8 0.10 0.38 + + ++ + + * + peak 2963 Upper QB LEU 84 - QD1 LEU 84 2.40 7 0.05 0.12 + + + + *++ peak 2994 Upper QB LEU 84 - QD2 LEU 87 3.08 14 0.39 0.99 *+ ++++ +++++ +++ peak 3114 Upper QB LEU 84 - QD2 LEU 373 4.08 8 0.13 0.54 * + ++ + ++ + peak 2938 Upper QD1 LEU 84 - HA ARG 370 3.24 8 0.14 0.62 + + ++ *+ + + peak 2996 Upper QD1 LEU 84 - QB ARG 370 4.19 12 0.13 0.25 + + ++++++ + *+ + peak 2573 Upper QD1 LEU 84 - HD3 ARG 370 5.50 11 0.10 0.17 + +++ +*+ ++ ++ peak 2567 Upper QD1 LEU 84 - H GLU 376 5.50 9 0.10 0.23 + + + + + *+++ peak 1008 Upper H LEU 86 - QD2 LEU 87 4.56 11 0.46 1.31 ++ ++* +++ + + + peak 1097 Upper H LEU 86 - QD1 LEU 373 5.50 11 0.17 0.54 +++ ++ * + +++ + peak 1100 Upper HG LEU 87 - H VAL 88 3.78 7 0.08 0.31 + + + *+ + + peak 1118 Upper HG LEU 87 - QD1 LEU 373 3.42 15 0.27 0.52 ++++ +++ ++* +++++ peak 8278 Upper QD1 LEU 87 - HH2 TRP 372 3.91 10 0.21 0.70 ++ +++ *++ + + peak 205 Upper QD2 LEU 87 - HZ2 TRP 372 3.96 10 0.12 0.52 + ++ + + +* +++ peak 8227 Upper H VAL 88 - QB ARG 366 5.50 11 0.12 0.29 ++ +++ +*+ ++ + peak 2448 Upper HB VAL 88 - H LEU 89 3.24 12 0.51 0.96 + ++ ++ +* ++++ + peak 1130 Upper HB VAL 88 - HZ PHE 347 4.03 8 0.17 0.52 ++ ++ + + + * peak 290 Upper QG1 VAL 88 - QD PHE 347 4.75 18 0.55 1.03 ++++++++++++ ++*+++ peak 4111 Upper QG1 VAL 88 - HZ PHE 347 3.76 12 0.38 0.77 + ++ ++ ++ *+++ + peak 293 Upper QG1 VAL 88 - H LEU 362 5.50 9 0.16 0.54 ++ ++ + *++ + peak 886 Upper QG1 VAL 88 - QD1 LEU 362 4.31 7 0.10 0.32 ++ + + +* + peak 2270 Upper QG1 VAL 88 - H ARG 366 3.88 6 0.07 0.28 + ++ +*+ peak 945 Upper QG2 VAL 88 - HG2 PRO 112 3.99 16 0.20 0.39 +++++*+ ++ +++++ ++ peak 3149 Upper QG2 VAL 88 - HG3 PRO 112 5.35 9 0.09 0.23 ++++* + + + + peak 3778 Upper HB2 LEU 89 - H LEU 93 5.50 13 0.13 0.34 *+ ++ ++ +++++ ++ peak 1175 Upper QD1 LEU 89 - HD2 PRO 112 5.50 9 0.09 0.23 + ++*+ ++ + + peak 3775 Upper HA GLN 91 - QD1 LEU 365 5.43 7 0.09 0.27 ++ +*+ + + peak 3219 Upper H PHE 92 - HB3 PRO 112 4.56 6 0.08 0.27 + ++ * ++ peak 1166 Upper H PHE 92 - QD1 LEU 365 3.71 6 0.05 0.21 +* + + + + peak 1170 Upper HZ PHE 92 - H VAL 119 4.95 8 0.07 0.17 + ++ ++ ++* peak 627 Upper HZ PHE 92 - QD1 LEU 362 3.73 7 0.15 0.49 * +++ + + + peak 8306 Upper QB ALA 95 - QE TYR 352 4.23 20 0.75 0.91 +*++++++++++++++++++ peak 234 Upper H LEU 96 - H GLN 101 5.50 12 0.10 0.13 ++ +++++* ++ + + peak 468 Upper H LEU 96 - HA GLN 101 5.16 19 0.13 0.18 +++++++++*+++++++++ peak 462 Upper H LEU 96 - HG3 GLN 101 5.50 20 0.23 0.28 *+++++++++++++++++++ peak 4101 Upper HB3 LEU 96 - HE22 GLN 101 5.50 20 0.28 0.32 +++++*++++++++++++++ peak 1208 Upper HB3 LEU 96 - QE TYR 352 3.47 20 0.29 0.33 +++++++*++++++++++++ peak 8330 Upper HG LEU 96 - QG2 VAL 119 4.54 10 0.10 0.25 +++ + ++++*+ peak 3956 Upper HG LEU 96 - H TYR 352 5.50 20 0.20 0.27 +*++++++++++++++++++ peak 793 Upper QD1 LEU 96 - HA VAL 104 5.50 18 0.12 0.16 +++++++++ +++ ++++*+ peak 3590 Upper QD1 LEU 96 - QD TYR 352 4.32 20 0.29 0.32 ++*+++++++++++++++++ peak 251 Upper QD2 LEU 96 - HG12 ILE 100 4.98 10 0.11 0.22 + *++ +++ ++ + peak 3469 Upper HD2 PRO 97 - H TYR 352 5.50 19 0.21 0.29 ++++++++++ +++++*+++ peak 789 Upper HA ILE 100 - H VAL 104 4.12 11 0.09 0.15 ++++ + *+++ ++ peak 737 Upper HG12 ILE 100 - QG1 VAL 119 4.88 7 0.10 0.64 * +++ + ++ peak 3953 Upper H GLN 101 - HE22 GLN 101 5.50 8 0.10 0.11 *++ + + ++ + peak 482 Upper HG3 GLN 101 - H ARG 103 5.50 19 0.18 0.25 *++++++++++++++++++ peak 4102 Upper QB GLN 107 - H LEU 118 5.50 11 0.12 0.25 +*+ +++ + ++++ peak 3622 Upper HG2 PRO 112 - QD1 LEU 362 5.50 10 0.09 0.21 *+ ++ ++ ++ + + peak 3750 Upper HG3 PRO 112 - HG LEU 362 4.14 7 0.44 1.36 + ++* + + + peak 3779 Upper H ALA 115 - QD1 LEU 362 5.50 11 0.09 0.27 ++ ++ ++* + ++ + peak 1288 Upper HA ALA 116 - HB VAL 119 3.56 11 0.43 0.82 + +++ + +*++++ peak 3960 Upper QB ALA 116 - HG3 GLN 359 3.59 6 0.06 0.24 + ++ + * + peak 1622 Upper H LEU 118 - QG2 VAL 119 5.50 9 0.07 0.18 +++++ ++ *+ peak 8191 Upper H VAL 119 - HB2 PRO 358 5.50 15 0.15 0.31 +++ + ++*++++++++ peak 2171 Upper H ARG 344 - HD2 ARG 344 5.50 7 0.10 0.23 + + + ++ * + peak 705 Upper H LEU 345 - HG LEU 345 3.64 7 0.12 0.36 * ++ + + + + peak 686 Upper HZ PHE 347 - H CYS 369 5.50 6 0.08 0.47 + ++ ++ * peak 86 Upper HZ PHE 347 - HA CYS 369 5.50 8 0.08 0.26 + + ++ +++* peak 285 Upper HA PHE 350 - HB3 HIS 351 5.50 19 0.13 0.16 ++++ ++++++++*++++++ peak 2038 Upper HB2 PHE 350 - QD1 LEU 368 4.43 6 0.07 0.26 + +++ +* peak 2484 Upper QE PHE 350 - HG LEU 365 4.56 7 0.06 0.31 ++ *++ + + peak 270 Upper H GLU 353 - HB THR 356 5.43 12 0.09 0.14 +* +++ ++++ ++ + peak 2120 Upper H GLN 359 - HG3 GLN 359 3.73 8 0.07 0.21 ++ ++ * +++ peak 2219 Upper H GLN 359 - HG LEU 362 5.50 13 0.46 0.81 ++ +++ +++++ ++ * peak 839 Upper H LEU 362 - HG LEU 362 3.15 13 0.48 0.76 ++ +++ ++*++ ++ + peak 884 Upper QD1 LEU 362 - H LEU 365 5.50 7 0.26 0.91 + +++ + + * peak 2306 Upper H GLN 364 - HB3 LEU 365 5.50 19 0.26 0.40 ++++++ ++++++*++++++ peak 2390 Upper HA GLN 364 - HE21 GLN 364 5.50 6 0.07 0.20 + + + +* + peak 396 Upper HE22 GLN 364 - QD1 LEU 368 5.50 14 0.18 0.36 +*++ + ++++ ++++ + peak 929 Upper H GLU 367 - HG LEU 368 5.50 8 0.28 0.76 + + + +*+ ++ peak 2527 Upper HA GLU 367 - HD3 ARG 370 5.47 7 0.08 0.21 + + ++ + *+ peak 2591 Upper HG3 ARG 370 - H ARG 374 5.50 9 0.10 0.24 +++ ++++ * + peak 2604 Upper H GLN 371 - QG ARG 374 4.70 7 0.09 0.23 + + * ++ + + peak 286 Upper H TRP 372 - QD2 LEU 373 5.50 10 0.11 0.29 + +++ * + + +++ peak 1341 Upper HB2 TRP 372 - H ARG 374 5.50 16 0.27 0.43 +*+++++++ ++ ++ +++ peak 2647 Upper HB2 LEU 373 - H MET 383 5.50 14 0.13 0.42 +++ +++ ++ ++ +*++ peak 1076 Upper H GLU 376 - QG1 VAL 377 5.50 7 0.09 0.28 * + + + + + + peak 2770 Upper QB GLU 376 - QG2 VAL 377 4.51 6 0.10 0.36 + * ++ + + peak 1731 Upper HG2 GLU 376 - QG1 VAL 377 3.10 7 0.32 1.18 + + + + + * + peak 2779 Upper HB3 ARG 378 - H MET 383 4.69 6 0.07 0.47 + + + + + * peak 1077 Upper HB3 LYS 380 - HE3 LYS 380 4.87 8 0.08 0.25 +++ ++ ++* peak 2872 Upper HB3 LYS 380 - QD1 LEU 384 5.45 7 0.05 0.16 + + + +++* peak 2849 Upper HE2 LYS 380 - H GLN 382 5.50 12 0.10 0.20 + ++ ++++ *++++ peak 1054 Upper QB LEU 384 - QD2 LEU 387 3.08 15 0.29 0.70 +++*++ ++++++++ + peak 3114 Upper HG LEU 384 - H GLU 385 4.92 7 0.08 0.33 ++ + + + +* peak 3021 Upper H GLU 385 - QD2 LEU 386 4.69 6 0.06 0.16 +++ * + + peak 1090 Upper H LEU 386 - QD2 LEU 387 4.56 8 0.30 1.35 + + + +++ + * peak 1097 Upper HB VAL 388 - H LEU 389 3.24 11 0.48 0.95 + + + +*+ +++ ++ peak 1130 Upper QG2 VAL 388 - HG2 PRO 412 3.99 14 0.18 0.42 ++ ++ ++ +++ ++* ++ peak 3149 Upper HB2 LEU 389 - H LEU 393 5.50 10 0.13 0.38 *++ ++ + ++ ++ peak 1175 Upper H GLU 390 - HD3 PRO 412 5.49 7 0.05 0.20 * + + + ++ + peak 411 Upper H PHE 392 - HB3 PRO 412 4.56 7 0.06 0.22 ++ + + ++ * peak 1166 Upper HZ PHE 392 - H VAL 419 4.95 10 0.09 0.23 + + +++ + + *++ peak 627 Upper H LEU 396 - H GLN 401 5.50 14 0.11 0.15 +++ +++ *++ + ++++ peak 468 Upper H LEU 396 - HA GLN 401 5.16 19 0.14 0.19 +++++++++*+++++++++ peak 462 Upper H LEU 396 - HG3 GLN 401 5.50 20 0.23 0.28 ++++++++++++*+++++++ peak 4101 Upper HB3 LEU 396 - HE22 GLN 401 5.50 20 0.28 0.34 ++++++++++++++++*+++ peak 1208 Upper HG LEU 396 - QG2 VAL 419 4.54 11 0.11 0.25 ++++ + +* ++ ++ peak 3956 Upper QD1 LEU 396 - HA VAL 404 5.50 17 0.12 0.18 ++*+++++++++ + ++++ peak 3590 Upper QD1 LEU 396 - H VAL 419 5.35 6 0.04 0.14 * + + + ++ peak 1314 Upper QD2 LEU 396 - HG12 ILE 400 4.98 12 0.11 0.22 ++ + + +++ + +*++ peak 3469 Upper HA ILE 400 - H VAL 404 4.12 12 0.10 0.17 +* + + ++ + ++++ + peak 737 Upper HG12 ILE 400 - QG1 VAL 419 4.88 8 0.10 0.59 ++* + ++ + + peak 3953 Upper QD1 ILE 400 - QB ARG 423 3.76 6 0.09 0.20 * + ++ + + peak 4039 Upper H GLN 401 - HE22 GLN 401 5.50 9 0.10 0.13 +* + + +++++ peak 482 Upper HG3 GLN 401 - H ARG 403 5.50 20 0.18 0.23 ++++++++++++*+++++++ peak 4102 Upper QB GLN 407 - H LEU 418 5.50 12 0.12 0.23 +++ +*++ + ++++ peak 3622 Upper HA ALA 416 - HB VAL 419 3.56 12 0.47 0.86 +*+++ + ++ ++ ++ peak 3960 Upper H LEU 418 - QG2 VAL 419 5.50 7 0.06 0.14 +* ++ + + + peak 8191 VdW HZ PHE 47 - HA VAL 388 2.00 20 0.30 0.43 +++++++*++++++++++++ VdW O PRO 58 - CD2 LEU 62 2.90 11 0.14 0.29 ++ ++ + + ++*+ + VdW CD1 LEU 62 - HB2 PRO 412 2.60 11 0.20 0.30 ++ ++ + + +++* + VdW CD2 LEU 62 - HB2 PRO 412 2.60 9 0.15 0.36 +*+ + + + +++ VdW H GLN 64 - CG GLN 64 2.55 12 0.23 0.35 +++ + +++ +*++ + VdW H GLN 64 - HG2 GLN 64 1.95 15 0.23 0.28 +++ +++++*+ ++++ + VdW CA LEU 65 - CD1 LEU 65 3.00 11 0.14 0.26 ++++ + + * +++ + VdW HA LEU 65 - CD1 LEU 65 2.60 11 0.23 0.48 +++* + + + +++ + VdW CG GLU 67 - C GLU 67 2.90 20 0.24 0.24 +++++*++++++++++++++ VdW HA LEU 68 - CD1 LEU 68 2.60 9 0.12 0.31 ++ *++ ++ + + VdW CG TRP 72 - C TRP 72 2.90 15 0.21 0.24 +++++ ++ +*+++++ + VdW CD1 TRP 72 - C TRP 72 3.10 10 0.20 0.29 ++ ++ ++ *+ + + VdW O LEU 73 - C ARG 74 2.80 10 0.20 0.24 ++ +* + ++++ + VdW N LEU 84 - CD1 LEU 84 3.05 9 0.19 0.44 + + + + + +++* VdW O LEU 84 - HG LEU 87 2.30 6 0.11 0.40 ++ + +* + VdW O LEU 84 - CD2 LEU 87 2.90 6 0.13 0.47 ++ +* + + VdW CD2 LEU 87 - C LEU 87 3.10 10 0.15 0.39 ++ +++ ++* + + VdW CD2 LEU 87 - N VAL 88 3.05 9 0.13 0.37 *+ ++ +++ + + VdW HA VAL 88 - HZ PHE 347 2.00 19 0.29 0.41 +++++++*+ ++++++++++ VdW HB3 LEU 96 - HD2 PRO 97 2.00 20 0.27 0.30 ++++++++++++++++++*+ VdW CG2 ILE 100 - C ILE 100 2.90 20 0.25 0.28 +*++++++++++++++++++ VdW HB2 PRO 112 - CD1 LEU 362 2.60 13 0.21 0.29 ++ +++ +++++ +* + VdW HB2 PRO 112 - CD2 LEU 362 2.60 7 0.12 0.36 + *++ + + + VdW HA ALA 116 - CG2 VAL 119 2.60 10 0.13 0.30 ++* + ++++++ VdW H LEU 118 - CG LEU 118 2.55 10 0.19 0.25 * +++ + + ++++ VdW CG1 VAL 119 - C VAL 119 2.90 9 0.10 0.24 + +++ +++ +* VdW O PRO 358 - CD2 LEU 362 2.90 13 0.17 0.28 ++ +++ ++*++ ++ + VdW H GLN 364 - CG GLN 364 2.55 13 0.25 0.36 * +++ + ++++ +++ + VdW H GLN 364 - HG2 GLN 364 1.95 17 0.24 0.31 + *+++++++++ +++++ + VdW CA LEU 365 - CD1 LEU 365 3.00 7 0.09 0.27 ++ *++ + + VdW HA LEU 365 - CD1 LEU 365 2.60 7 0.15 0.49 ++ *++ + + VdW CG GLU 367 - C GLU 367 2.90 19 0.24 0.24 +++++++* +++++++++++ VdW HA LEU 368 - CD1 LEU 368 2.60 7 0.10 0.33 + + + +* ++ VdW CG TRP 372 - C TRP 372 2.90 16 0.21 0.24 +++++++++ +* ++ +++ VdW CD1 TRP 372 - C TRP 372 3.10 8 0.21 0.32 + +++ +* + + VdW O LEU 373 - C ARG 374 2.80 14 0.22 0.29 + +++*+ ++ + + ++++ VdW N LEU 384 - CD1 LEU 384 3.05 9 0.19 0.45 + * + + + ++++ VdW H LEU 384 - CG LEU 384 2.55 6 0.12 0.25 + +* ++ + VdW H LEU 384 - HG LEU 384 1.95 6 0.11 0.35 * + ++ + + VdW O LEU 384 - CG1 VAL 388 2.90 9 0.15 0.42 + * + ++ ++ ++ VdW CD2 LEU 387 - C LEU 387 3.10 7 0.10 0.32 + + ++* + + VdW CG1 VAL 388 - C VAL 388 2.90 6 0.10 0.28 + + + ++ * VdW HB3 LEU 396 - HD2 PRO 397 2.00 20 0.27 0.29 ++*+++++++++++++++++ VdW CG2 ILE 400 - C ILE 400 2.90 20 0.25 0.28 ++++*+++++++++++++++ VdW HA ALA 416 - CG2 VAL 419 2.60 9 0.13 0.30 + *+ + ++ ++ + VdW H LEU 418 - CG LEU 418 2.55 10 0.19 0.27 +*++ + ++ + ++ VdW CG1 VAL 419 - C VAL 419 2.90 8 0.09 0.23 + * ++ + +++ Angle PSI PRO 58 -41.00 -31.00 11 6.59 12.43 ++ ++ + + ++*+ + Angle PHI GLN 59 -77.00 -57.00 10 3.63 8.08 + +* + + ++++ + Angle PHI GLN 64 -78.00 -58.00 17 7.85 11.54 +++*++ ++++++++ +++ Angle PHI GLU 67 -79.00 -59.00 7 3.56 7.56 ++ + + +* + Angle PSI LYS 80 -48.00 -28.00 8 3.97 8.24 + + +* + + ++ Angle PHI GLU 85 -75.00 -55.00 9 3.78 7.26 + *++ + + + ++ Angle PSI GLU 85 -54.00 -34.00 15 9.72 17.50 +++++++ ++ *+++++ Angle PHI LEU 86 -74.00 -54.00 9 5.04 12.20 + + * ++ ++++ Angle PSI LEU 87 -51.00 -31.00 12 7.64 18.53 ++ *++ +++++ + + Angle PSI VAL 88 -55.00 -35.00 7 4.04 8.03 + ++ * + + + Angle PHI LEU 89 -70.00 -50.00 6 3.70 8.41 + *+ ++ + Angle PSI PRO 97 132.20 154.90 20 19.20 20.98 +*++++++++++++++++++ Angle PSI PRO 98 -46.00 -28.00 20 7.61 8.17 +*++++++++++++++++++ Angle PHI GLU 99 -76.00 -56.00 6 4.97 5.48 *+ + + + + Angle PHI ILE 100 -73.00 -53.00 19 6.16 7.12 ++++++++++ ++++*++++ Angle PSI PRO 358 -41.00 -31.00 13 7.04 11.86 ++ +++ +++++ +* + Angle PHI GLN 359 -77.00 -57.00 12 4.34 8.26 ++ +*+ +++++ + + Angle PHI GLN 364 -78.00 -58.00 14 6.92 11.76 +* ++++++ +++ +++ Angle PSI LYS 380 -48.00 -28.00 8 4.06 10.29 + + * + ++++ Angle PSI GLU 385 -54.00 -34.00 16 9.76 15.69 ++++ *+++++++ ++ ++ Angle PSI LEU 387 -51.00 -31.00 8 6.85 19.06 + + + ++* + + Angle PSI VAL 388 -55.00 -35.00 6 4.18 7.49 + + * + ++ Angle PSI PRO 397 132.20 154.90 20 19.22 20.89 ++++*+++++++++++++++ Angle PSI PRO 398 -46.00 -28.00 20 7.65 8.67 ++++*+++++++++++++++ Angle PHI GLU 399 -76.00 -56.00 12 4.97 5.68 + * ++++++++ ++ Angle PHI ILE 400 -73.00 -53.00 19 6.02 7.59 +*++++++++ +++++++++ 175 violated distance constraints. 26 violated angle constraints. RMSDs for residues 40..122: Average backbone RMSD to mean : 0.44 +/- 0.20 A (0.18..0.91 A; 20 structures) Average heavy atom RMSD to mean : 0.80 +/- 0.15 A (0.61..1.12 A; 20 structures)