Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 22.96 96 0.0244 1.12 35 33.6 0.35 23 3.4687 20.72 2 25.72 109 0.0286 1.21 31 35.9 0.33 29 3.6693 21.85 3 25.95 124 0.0285 1.15 28 34.7 0.35 26 3.4421 20.50 4 27.51 116 0.0293 1.23 34 35.9 0.33 27 3.6676 21.96 5 27.59 116 0.0278 1.15 39 37.5 0.34 31 3.4700 17.14 6 29.31 128 0.0284 1.12 39 42.1 0.33 29 3.7163 18.55 7 34.25 145 0.0354 1.65 33 40.5 0.33 32 3.8946 22.40 8 35.75 126 0.0378 1.69 28 37.3 0.36 27 3.5909 21.00 9 36.08 126 0.0375 1.69 31 37.1 0.36 29 3.7001 21.20 10 36.61 149 0.0368 1.39 38 43.8 0.37 28 3.6267 21.60 11 36.72 139 0.0361 1.66 47 39.9 0.36 28 3.8479 21.98 12 37.85 161 0.0368 1.31 43 45.8 0.35 32 3.6129 18.75 13 38.17 145 0.0380 1.66 35 38.0 0.49 29 3.7813 21.28 14 38.84 138 0.0379 1.64 46 42.7 0.55 27 3.8070 21.93 15 39.34 156 0.0399 1.65 37 40.4 0.35 32 3.7298 20.93 16 39.44 133 0.0338 1.21 47 45.3 0.76 25 4.1743 29.77 17 39.52 132 0.0391 1.66 41 40.8 0.37 30 3.8865 21.47 18 39.75 133 0.0395 1.68 37 39.9 0.33 31 4.0056 21.76 19 39.78 166 0.0374 1.32 40 47.3 0.59 30 3.7080 18.98 20 40.72 140 0.0357 1.17 45 47.8 0.69 29 4.0205 28.28 Ave 34.59 134 0.0344 1.42 38 40.3 0.41 29 3.7410 21.60 +/- 5.62 17 0.0046 0.23 6 4.1 0.13 2 0.1872 2.83 Min 22.96 96 0.0244 1.12 28 33.6 0.33 23 3.4421 17.14 Max 40.72 166 0.0399 1.69 47 47.8 0.76 32 4.1743 29.77 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HB3 ASP 37 - QG PRO 38 4.80 6 0.04 0.14 * + + ++ + peak 1483 Upper HA ARG 44 - HD1 TRP 72 5.50 19 0.20 0.29 +++ +++++++++++++++* peak 1842 Upper H PHE 47 - QD1 LEU 68 5.24 11 0.14 0.33 + ++++ + + + +*+ peak 2512 Upper QD PHE 47 - QD1 LEU 68 3.99 8 0.06 0.17 +*++ + + + + peak 306 Upper QD PHE 47 - QG1 VAL 88 5.50 18 0.24 0.36 ++++++++++*++++ +++ peak 2761 Upper HZ PHE 47 - HA CYS 69 5.50 20 0.23 0.45 +++++++++++++++*++++ peak 285 Upper H PHE 50 - QD1 LEU 68 4.71 11 0.17 0.37 + ++++ + + + *++ peak 778 Upper HB2 PHE 50 - QD1 LEU 68 4.59 8 0.06 0.15 + +*+ + + + + peak 2013 Upper HB3 PHE 50 - QB ALA 95 5.39 9 0.10 0.23 + ++ * + + + ++ peak 2008 Upper QE PHE 50 - HG LEU 65 4.56 10 0.07 0.19 + + + ++ + ++ +* peak 270 Upper H TYR 52 - HG LEU 96 5.50 8 0.26 0.77 * + ++ ++ ++ peak 793 Upper QD TYR 52 - QG2 ILE 100 3.49 19 0.35 0.63 +++++++++++++ ++++*+ peak 249 Upper QE TYR 52 - QD PHE 92 5.50 17 0.17 0.30 +++ + ++*++++++ ++++ peak 140 Upper H GLY 57 - H GLU 60 5.50 19 0.15 0.20 *+++++++++ +++++++++ peak 398 Upper H GLN 59 - HG LEU 62 4.91 20 0.91 1.23 +++++++++*++++++++++ peak 839 Upper H GLN 59 - QG2 VAL 119 5.50 16 0.24 0.45 ++++++ * + +++++ +++ peak 841 Upper HA GLU 60 - H ALA 63 3.44 7 0.07 0.13 +* ++ + + + peak 389 Upper HB3 GLU 60 - QB ALA 63 4.56 15 0.15 0.25 + + +++ +++++++ ++* peak 2234 Upper H LEU 62 - HG LEU 65 5.50 11 0.10 0.23 + +++ ++ + ++ +* peak 2392 H GLN 64 - HG LEU 65 Upper H LEU 62 - QG1 VAL 88 5.50 11 0.13 0.28 + +++ ++++ + *+ peak 886 Upper HG LEU 62 - QD1 LEU 65 4.76 6 0.06 0.17 + + *+ + + peak 2280 Upper HG LEU 62 - HG3 PRO 112 4.13 12 0.38 1.23 ++* +++ +++ +++ peak 3779 Upper QD1 LEU 62 - HG2 PRO 112 5.50 15 0.30 0.52 + + +++ ++++++* +++ peak 3750 Upper QD1 LEU 62 - H GLU 113 4.95 15 0.13 0.21 + + +++ +++++++ +*+ peak 1274 Upper QD1 LEU 62 - HG3 GLU 113 4.83 8 0.07 0.14 + + + +* ++ + peak 3835 Upper QD1 LEU 62 - H ALA 115 5.50 9 0.08 0.17 + + + ++++ *+ peak 1288 Upper QD2 LEU 62 - H ALA 115 5.50 6 0.08 0.20 + + *+ + + peak 2312 Upper H GLN 64 - HB3 LEU 65 5.50 20 0.35 0.41 ++++++++++++*+++++++ peak 2390 Upper QD1 LEU 65 - H GLU 67 5.50 13 0.20 0.41 +++* ++++ + + ++ + peak 957 Upper QD1 LEU 65 - HA GLN 91 5.50 19 0.19 0.26 +++ +++++++++++++++* peak 3219 Upper QD1 LEU 65 - H PHE 92 3.94 8 0.07 0.15 + +++ * + ++ peak 1170 Upper HA ARG 66 - HB3 CYS 69 4.63 6 0.06 0.19 + +*+ + + peak 2541 Upper H GLU 67 - HG LEU 68 5.50 11 0.47 0.96 + *+++ + + + +++ peak 2527 Upper HA ARG 70 - HD2 PRO 75 4.19 15 0.13 0.22 + ++ +++*+ ++++ +++ peak 2687 Upper H GLN 71 - QG ARG 74 5.22 19 0.17 0.24 +++++++++++++ *+++++ peak 286 Upper H TRP 72 - QD2 LEU 73 5.50 6 0.09 0.19 + + +++* peak 1341 Upper HB3 TRP 72 - HG LEU 73 5.27 15 0.13 0.23 + +*+++ +++ ++++++ peak 2634 Upper HZ2 TRP 72 - QD1 LEU 86 4.60 20 0.16 0.26 +++++++++++++++++++* peak 194 Upper HH2 TRP 72 - HB2 LEU 86 5.00 17 0.16 0.21 + ++*++++++ +++++ ++ peak 3074 Upper HG LEU 73 - QE MET 83 4.59 8 0.10 0.13 ++ ++++* + peak 1912 Upper QD2 LEU 73 - HA LEU 86 5.50 20 0.38 0.45 ++++*+++++++++++++++ peak 1785 Upper QD2 LEU 73 - HB3 LEU 86 4.07 7 0.06 0.25 ++ * ++ + + peak 3065 Upper HA PRO 75 - QD1 LEU 84 4.48 8 0.08 0.15 ++*+ ++ + + peak 2695 Upper HD2 PRO 75 - QG2 VAL 77 5.50 19 0.16 0.34 ++++ ++++*++++++++++ peak 1735 Upper HD2 PRO 75 - QD1 LEU 84 4.41 19 0.19 0.37 +++++++++++*+++ ++++ peak 2683 Upper HD2 ARG 78 - H MET 83 5.50 14 0.12 0.17 + + ++++*++ +++++ peak 1067 Upper HD3 ARG 78 - HA MET 83 5.50 7 0.10 0.14 +++ + *+ + peak 2812 Upper H GLN 82 - QG GLN 82 3.82 7 0.07 0.18 + + *+ + ++ peak 1056 Upper H GLN 82 - HG2 MET 83 5.50 8 0.09 0.18 + + + + + ++* peak 2982 Upper HG2 MET 83 - QD2 LEU 87 5.50 16 0.19 0.33 ++*+ ++++++++ + +++ peak 2961 Upper HA LEU 84 - HG LEU 87 5.10 11 0.10 0.19 +++ + *+ + ++++ peak 3128 Upper QD2 LEU 86 - HB2 LEU 87 3.72 9 0.22 0.70 ++ + ++ + + +* peak 3052 Upper QD2 LEU 87 - H GLU 90 5.50 20 0.21 0.29 ++++++++++++++*+++++ peak 3092 Upper HB VAL 88 - H PHE 92 5.50 20 0.21 0.31 ++++++*+++++++++++++ peak 1165 Upper H LEU 89 - HG3 PRO 112 5.50 12 0.12 0.18 + ++* ++ + ++ +++ peak 3813 Upper HB2 LEU 89 - H LEU 93 5.50 17 0.26 0.39 ++++ ++ ++++++++++ * peak 1175 Upper HB3 LEU 89 - QD2 LEU 89 2.99 6 0.05 0.17 + ++ +* + peak 3184 Upper QD2 LEU 89 - H ALA 115 3.93 8 0.08 0.25 + +*+ ++ ++ peak 1287 Upper H GLU 90 - HD3 PRO 112 5.50 11 0.11 0.24 + + ++ + + ++* ++ peak 411 Upper QB ALA 95 - HG LEU 96 3.71 20 0.70 1.69 ++++++++*+++++++++++ peak 3310 Upper H LEU 96 - HG LEU 96 3.38 7 0.29 0.85 * + + ++ ++ peak 1185 Upper H LEU 96 - H GLN 101 5.50 20 0.18 0.22 +++++++*++++++++++++ peak 468 Upper H LEU 96 - HG3 GLN 101 5.50 13 0.18 0.36 +++++ +++++ *+ + peak 4101 Upper HG LEU 96 - QG1 VAL 119 4.07 10 0.21 0.58 + + + + *+++ ++ peak 3952 Upper HG LEU 96 - QG2 VAL 119 3.82 13 0.18 0.39 ++++++ + + *+ + ++ peak 3956 Upper QD1 LEU 96 - HG13 ILE 100 5.50 7 0.06 0.16 +++* + + + peak 3470 Upper QD1 LEU 96 - HE22 GLN 101 5.50 8 0.12 0.32 +++ + +* ++ peak 1209 Upper QD2 LEU 96 - HG2 PRO 97 4.99 7 0.08 0.30 + + + *+ ++ peak 1748 Upper QD2 LEU 96 - H ILE 100 5.50 7 0.21 0.68 + + + *+ ++ peak 284 Upper QD2 LEU 96 - HG13 ILE 100 5.50 7 0.18 0.60 + + + *+ ++ peak 3471 Upper QD2 LEU 96 - QD1 ILE 100 4.26 7 0.10 0.32 + + * ++ ++ peak 3472 Upper QD2 LEU 96 - HB3 GLN 101 5.50 8 0.22 0.55 ++ + + +* ++ peak 4064 Upper QD2 LEU 96 - H VAL 119 5.50 8 0.15 0.48 ++ + * ++ ++ peak 3351 Upper QD2 LEU 96 - HA VAL 119 5.42 6 0.06 0.23 + + +* ++ peak 3948 Upper HB2 PRO 97 - QD1 ILE 100 5.33 6 0.04 0.14 + + *+ ++ peak 2727 Upper QG2 ILE 100 - QG1 VAL 119 3.07 10 0.24 0.61 + + + * ++++ ++ peak 1610 Upper H GLN 101 - HE22 GLN 101 5.50 20 0.16 0.19 +++++++++++*++++++++ peak 482 Upper HA GLN 101 - HE22 GLN 101 5.50 12 0.11 0.14 + + ++*+++ ++ ++ peak 477 Upper HG3 GLN 101 - H ARG 103 5.50 13 0.10 0.18 + + + + +*+++ ++++ peak 4102 Upper QB GLN 107 - H LEU 118 5.50 17 0.17 0.39 ++ ++++++ +++++*+++ peak 3622 Upper H GLU 114 - QD2 LEU 118 5.50 20 0.19 0.25 +++++++++*++++++++++ peak 1278 Upper H ALA 115 - QD2 LEU 118 4.57 11 0.10 0.19 ++++ + +*+ ++ + peak 3917 Upper HA ALA 116 - HB VAL 119 3.56 10 0.24 0.52 + * + + ++++ ++ peak 3960 Upper HA ARG 344 - HD1 TRP 372 5.50 20 0.19 0.26 +++++++++++++++++++* peak 1842 Upper H PHE 347 - QD1 LEU 368 5.24 9 0.12 0.32 +* + + ++ + ++ peak 2512 Upper QD PHE 347 - QG1 VAL 388 5.50 19 0.27 0.45 +++*+++++++++ ++++++ peak 2761 Upper HZ PHE 347 - HA CYS 369 5.50 20 0.22 0.40 +++++++++++++*++++++ peak 285 Upper H PHE 350 - QD1 LEU 368 4.71 9 0.15 0.50 ++ + + ++ + +* peak 778 Upper HB2 PHE 350 - QD1 LEU 368 4.59 6 0.05 0.18 +* ++ + + peak 2013 Upper HB3 PHE 350 - QB ALA 395 5.39 8 0.07 0.20 ++ + + ++ +* peak 2008 Upper QE PHE 350 - HG LEU 365 4.56 7 0.06 0.15 + + + ++ * + peak 270 Upper QD TYR 352 - QG2 ILE 400 3.49 19 0.43 0.67 ++++++++++++ +++++*+ peak 249 Upper QE TYR 352 - HB2 PRO 358 4.05 7 0.08 0.14 + * ++++ + peak 230 Upper QE TYR 352 - QD PHE 392 5.50 17 0.17 0.27 +++ + ++++ ++++++*++ peak 140 Upper QE TYR 352 - HD3 PRO 397 4.22 8 0.08 0.15 ++++++* + peak 228 Upper H GLU 353 - HB THR 356 5.43 8 0.09 0.15 + ++++ + + * peak 2120 Upper H GLY 357 - H GLU 360 5.50 17 0.14 0.22 ++++++ ++ ++*++++++ peak 398 Upper H GLN 359 - HG LEU 362 4.91 20 0.85 1.17 +++++++++++++++++++* peak 839 Upper H GLN 359 - QG2 VAL 419 5.50 19 0.28 0.45 +++++ +++++++++*++++ peak 841 Upper HE21 GLN 359 - QD1 LEU 362 5.50 6 0.06 0.28 *+ ++ + + peak 852 Upper HB3 GLU 360 - QB ALA 363 4.56 14 0.14 0.26 ++++++ + ++*+ + ++ peak 2234 Upper H LEU 362 - HG LEU 365 5.50 11 0.10 0.22 + ++++++++ * + peak 2392 H GLN 364 - HG LEU 365 Upper H LEU 362 - QG1 VAL 388 5.50 14 0.13 0.31 ++++++ + ++ +++ +* peak 886 Upper HG LEU 362 - HG3 PRO 412 4.13 12 0.44 1.27 + *++++++ ++ + + peak 3779 Upper QD1 LEU 362 - H LEU 365 5.50 6 0.19 0.64 +* ++ + + peak 2306 Upper QD1 LEU 362 - HG2 PRO 412 5.50 14 0.27 0.46 ++++++ + ++++ + +* peak 3750 Upper QD1 LEU 362 - H GLU 413 4.95 13 0.13 0.22 +++++ + ++++ + *+ peak 1274 Upper QD1 LEU 362 - H ALA 415 5.50 12 0.10 0.20 +++ + + ++++ + *+ peak 1288 Upper QD2 LEU 362 - H ALA 415 5.50 9 0.10 0.25 + + ++ ++ *++ peak 2312 Upper H GLN 364 - HB3 LEU 365 5.50 20 0.34 0.41 +++++++++++++++++++* peak 2390 Upper QD1 LEU 365 - H GLU 367 5.50 15 0.20 0.41 +++*++ ++++ + +++ + peak 957 Upper QD1 LEU 365 - HA GLN 391 5.50 19 0.19 0.26 + ++++++++*+++++++++ peak 3219 Upper QD1 LEU 365 - H PHE 392 3.94 8 0.07 0.15 + +* + ++ + + peak 1170 Upper H GLU 367 - HG LEU 368 5.50 10 0.42 0.96 ++* + + ++ + ++ peak 2527 Upper HA ARG 370 - HD2 PRO 375 4.19 16 0.13 0.24 ++ ++++++* +++++ ++ peak 2687 Upper H GLN 371 - QG ARG 374 5.22 19 0.16 0.23 +++ +++++++++++++++* peak 286 Upper H TRP 372 - QD2 LEU 373 5.50 11 0.10 0.23 + ++ + ++ +*+ ++ peak 1341 Upper HB3 TRP 372 - HG LEU 373 5.27 13 0.13 0.67 ++ ++++ +*++ + ++ peak 2634 Upper HZ2 TRP 372 - QD1 LEU 386 4.60 19 0.15 0.26 ++++++++++++++++ ++* peak 194 Upper HH2 TRP 372 - HB2 LEU 386 5.00 16 0.16 0.26 +++*+++++ ++ +++++ peak 3074 Upper HG LEU 373 - QE MET 383 4.59 11 0.10 0.15 ++ + + + + ++*++ peak 1912 Upper QD2 LEU 373 - HA LEU 386 5.50 20 0.39 0.54 ++++++++++*+++++++++ peak 1785 Upper QD2 LEU 373 - HB3 LEU 386 4.07 8 0.06 0.20 ++ + * + ++ + peak 3065 Upper HA PRO 375 - QD1 LEU 384 4.48 8 0.08 0.18 ++ + ++*+ + peak 2695 Upper HD2 PRO 375 - QG2 VAL 377 5.50 17 0.14 0.29 ++++ +++++ ++++++ *+ peak 1735 Upper HD2 PRO 375 - QD1 LEU 384 4.41 17 0.22 0.35 ++++ +++++ +*++++++ peak 2683 Upper HD2 ARG 378 - H MET 383 5.50 14 0.12 0.20 + +++++ * +++++ ++ peak 1067 Upper HD3 ARG 378 - HA MET 383 5.50 8 0.10 0.20 + * ++ ++ ++ peak 2812 Upper H GLN 382 - QG GLN 382 3.82 9 0.08 0.17 + + + +*+ + ++ peak 1056 Upper H GLN 382 - HG2 MET 383 5.50 10 0.08 0.18 ++++ + + *++ + peak 2982 Upper HG2 MET 383 - QD2 LEU 387 5.50 17 0.22 0.34 *+++ +++++ ++++++++ peak 2961 Upper HA LEU 384 - HG LEU 387 5.10 7 0.09 0.23 + + + + * + + peak 3128 Upper QD2 LEU 386 - HB2 LEU 387 3.72 9 0.18 0.47 ++ + + + +*+ + peak 3052 Upper QD2 LEU 387 - H GLU 390 5.50 19 0.21 0.29 +++++++++++++ +++++* peak 3092 Upper HB VAL 388 - H PHE 392 5.50 19 0.20 0.30 ++++++*++++++ ++++++ peak 1165 Upper QG2 VAL 388 - HG2 PRO 412 4.21 6 0.07 0.21 + + + + + * peak 3149 Upper H LEU 389 - HG3 PRO 412 5.50 8 0.09 0.16 * + + ++ + + + peak 3813 Upper HB2 LEU 389 - H LEU 393 5.50 19 0.27 0.55 +++++++++++ +*++++++ peak 1175 Upper QD2 LEU 389 - H ALA 415 3.93 6 0.08 0.23 * + ++ ++ peak 1287 Upper H GLU 390 - HD3 PRO 412 5.50 8 0.10 0.21 + + * ++ + ++ peak 411 Upper QB ALA 395 - HG LEU 396 3.71 20 0.40 1.69 +++++++*++++++++++++ peak 3310 Upper H LEU 396 - H GLN 401 5.50 19 0.19 0.23 +++++++++*++++++++ + peak 468 Upper H LEU 396 - HG3 GLN 401 5.50 13 0.13 0.34 + +++++ ++++ *++ peak 4101 Upper HG LEU 396 - QG1 VAL 419 4.07 13 0.28 0.57 +++ + + + +++++*+ peak 3952 Upper HG LEU 396 - QG2 VAL 419 3.82 17 0.24 0.54 +++++++ ++++ ++++ *+ peak 3956 Upper QD1 LEU 396 - HG13 ILE 400 5.50 13 0.09 0.23 ++++ ++ +++ +++ * peak 3470 Upper QG2 ILE 400 - QG1 VAL 419 3.07 13 0.32 0.56 +++ + + * +++++++ peak 1610 Upper H GLN 401 - HE22 GLN 401 5.50 20 0.16 0.19 ++++++++++++++++++*+ peak 482 Upper HA GLN 401 - HE22 GLN 401 5.50 11 0.10 0.15 + +*++ ++ ++++ peak 477 Upper HG3 GLN 401 - H ARG 403 5.50 11 0.10 0.20 + + + +*++ ++++ peak 4102 Upper QB GLN 407 - H LEU 418 5.50 18 0.17 0.42 +++ +++++ ++++++*+++ peak 3622 Upper H GLU 414 - QD2 LEU 418 5.50 20 0.20 0.26 ++++++++++++++++++*+ peak 1278 Upper H ALA 415 - QD2 LEU 418 4.57 12 0.10 0.15 +*+++ +++ + +++ peak 3917 Upper HA ALA 416 - HB VAL 419 3.56 13 0.31 0.52 ++* + + + +++++++ peak 3960 VdW O PRO 58 - CD2 LEU 62 2.90 7 0.15 0.25 + *+ ++ + + VdW CD1 LEU 62 - HB2 PRO 112 2.60 15 0.22 0.27 + + ++* +++++++ +++ VdW HA LEU 65 - CD1 LEU 65 2.60 11 0.17 0.37 + +++ ++ + +* ++ VdW CG GLU 67 - C GLU 67 2.90 18 0.22 0.24 +++++++ *++++++++++ VdW CG TRP 72 - C TRP 72 2.90 20 0.24 0.25 ++++++*+++++++++++++ VdW CD1 TRP 72 - C TRP 72 3.10 17 0.23 0.29 ++++++ ++ ++++++++ * VdW HA ARG 74 - CD PRO 75 2.60 12 0.20 0.23 + ++ ++++++*+ + VdW C ARG 74 - H GLU 76 2.45 20 0.33 0.37 +++++++++*++++++++++ VdW O LYS 80 - N LEU 84 2.75 6 0.13 0.27 + + + +*+ VdW O LYS 80 - HB2 LEU 84 2.30 6 0.12 0.28 + ++ +* + VdW O MET 83 - CB LEU 86 2.90 9 0.17 0.41 + ++ ++ + + + * VdW CA LEU 84 - CD2 LEU 84 3.00 9 0.15 0.26 + +++ ++ + +* VdW O LEU 84 - HD21 LEU 87 2.30 10 0.13 0.31 ++ ++ +*++++ VdW O LEU 84 - HD22 LEU 87 2.30 6 0.08 0.31 ++ + * ++ VdW O LEU 84 - CG2 VAL 88 2.90 18 0.23 0.29 +++++++++++++++ +*+ VdW N LEU 87 - CD1 LEU 87 3.05 20 0.28 0.40 +++++++++++++++++++* VdW H LEU 87 - CD1 LEU 87 2.55 20 0.33 0.36 +++++++*++++++++++++ VdW H LEU 87 - HD21 LEU 87 1.95 6 0.11 0.39 ++ ++*+ VdW HD21 LEU 87 - N VAL 88 2.45 6 0.07 0.28 ++ + + *+ VdW HD23 LEU 87 - N VAL 88 2.45 9 0.12 0.29 *+ ++ ++ +++ VdW HB2 PRO 97 - HD2 PRO 98 2.00 7 0.13 0.25 + + * ++ ++ VdW CG2 ILE 100 - CD1 ILE 100 3.00 8 0.13 0.32 + + +* ++ ++ VdW N HIS 351 - CG HIS 351 2.85 6 0.18 0.21 + + + + * + VdW CG2 THR 356 - C THR 356 2.90 6 0.19 0.21 + ++ * + + VdW O PRO 358 - CD2 LEU 362 2.90 7 0.14 0.26 ++ ++* + + VdW CD1 LEU 362 - HB2 PRO 412 2.60 14 0.21 0.28 +++*++ + ++++ + ++ VdW CD2 LEU 362 - HB2 PRO 412 2.60 6 0.08 0.30 +* ++ + + VdW CA LEU 365 - CD1 LEU 365 3.00 6 0.12 0.21 + ++*+ + VdW HA LEU 365 - CD1 LEU 365 2.60 12 0.19 0.35 + ++++*+++ + ++ VdW CG GLU 367 - C GLU 367 2.90 19 0.22 0.24 +++ ++++++*+++++++++ VdW CG TRP 372 - C TRP 372 2.90 20 0.24 0.25 ++++++++++++++*+++++ VdW CD1 TRP 372 - C TRP 372 3.10 17 0.23 0.36 + ++++ +++*++++ ++++ VdW HA ARG 374 - CD PRO 375 2.60 11 0.21 0.25 + + +++ ++*+ + + VdW C ARG 374 - H GLU 376 2.45 20 0.32 0.36 ++++++++++++++++++*+ VdW O LYS 380 - HB2 LEU 384 2.30 11 0.18 0.28 + + + +++ ++* ++ VdW O LEU 384 - HD21 LEU 387 2.30 8 0.12 0.32 ++ ++ * + + + VdW O LEU 384 - CG2 VAL 388 2.90 17 0.22 0.27 ++++ +*++++++ +++++ VdW N LEU 387 - CD1 LEU 387 3.05 20 0.27 0.32 +++++++++++++*++++++ VdW H LEU 387 - CD1 LEU 387 2.55 19 0.32 0.35 ++*++++++++++ ++++++ VdW CD2 LEU 387 - N VAL 388 3.05 6 0.17 0.22 + * + +++ VdW HD23 LEU 387 - N VAL 388 2.45 8 0.11 0.31 ++ ++ + + +* Angle PSI PRO 58 -41.00 -31.00 15 8.94 11.79 + + +++ ++*++++ +++ Angle PHI GLN 59 -77.00 -57.00 15 5.44 9.68 + + +*+ +++++++ +++ Angle PHI GLU 67 -79.00 -59.00 8 3.92 7.03 + *+ + + + + + Angle PSI SER 79 155.00 175.00 18 6.86 10.19 +++++++++++ ++ *++++ Angle PSI LYS 80 -48.00 -28.00 7 5.06 10.73 ++ + + + +* Angle PSI GLU 81 -50.00 -30.00 19 7.22 10.15 +++++++++ +++++*++++ Angle PHI GLN 82 -76.00 -56.00 10 5.33 14.95 + ++ ++ + +*+ + Angle PSI LEU 84 -52.00 -32.00 20 9.64 13.39 +++++++++++++++*++++ Angle PSI GLU 85 -54.00 -34.00 20 13.54 29.77 +++++++++++++++*++++ Angle PSI LEU 86 -51.00 -31.00 20 12.79 14.19 ++++++++++++++*+++++ Angle PHI LEU 87 -77.00 -57.00 20 19.06 21.75 +++++++++++++++*++++ Angle PSI LEU 87 -51.00 -31.00 18 6.82 8.56 ++++++++++*++++ +++ Angle PHI VAL 88 -78.00 -58.00 16 6.93 17.60 ++++++ +++++ ++++* Angle PSI PRO 97 132.20 154.90 20 18.64 21.98 ++++++++++*+++++++++ Angle PSI PRO 98 -46.00 -28.00 7 6.01 9.38 * + + ++ ++ Angle PHI GLU 99 -76.00 -56.00 20 9.28 12.60 ++++++++++*+++++++++ Angle PHI ILE 100 -73.00 -53.00 11 5.31 6.80 +++++++++ +* Angle PSI ILE 100 -52.00 -32.00 7 4.44 6.37 + + + *+ ++ Angle PSI PRO 358 -41.00 -31.00 14 8.72 12.20 ++++++ + ++*+ + ++ Angle PHI GLN 359 -77.00 -57.00 14 5.42 10.30 +++++* + ++++ + ++ Angle PHI GLN 364 -78.00 -58.00 8 4.78 8.30 + +++++ * + Angle PHI GLU 367 -79.00 -59.00 9 3.75 7.15 +* + + ++ + ++ Angle PSI SER 379 155.00 175.00 19 7.04 9.07 +++*++++++++++++ +++ Angle PHI LYS 380 -69.00 -49.00 10 5.10 6.58 + +++ + +++ *+ Angle PSI LYS 380 -48.00 -28.00 7 4.39 7.94 ++++ + + * Angle PSI GLU 381 -50.00 -30.00 18 6.69 11.56 +++++++++ *+ +++++++ Angle PSI LEU 384 -52.00 -32.00 20 9.45 12.68 +++++++++++++*++++++ Angle PSI GLU 385 -54.00 -34.00 20 12.36 21.93 +++++++++++++*++++++ Angle PSI LEU 386 -51.00 -31.00 20 12.93 14.53 ++++++++++++++++++*+ Angle PHI LEU 387 -77.00 -57.00 20 19.10 22.48 +++++++++++++++*++++ Angle PSI LEU 387 -51.00 -31.00 19 7.33 8.89 +++++++++++++ ++*+++ Angle PHI VAL 388 -78.00 -58.00 16 6.12 14.48 ++ +++++++++*+ +++ Angle PSI PRO 397 132.20 154.90 20 17.71 21.76 +++++++++++++++++*++ Angle PHI GLU 399 -76.00 -56.00 20 8.34 12.17 ++++++++++++*+++++++ Angle PHI ILE 400 -73.00 -53.00 7 4.89 6.60 + + *+ + + + 154 violated distance constraints. 35 violated angle constraints. RMSDs for residues 40..122: Average backbone RMSD to mean : 0.23 +/- 0.05 A (0.15..0.33 A; 20 structures) Average heavy atom RMSD to mean : 0.68 +/- 0.09 A (0.56..1.02 A; 20 structures)