Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 170.35 20 0.0663 1.47 140 97.1 0.68 47 5.4995 33.30 2 174.13 14 0.0659 1.44 140 105.7 0.62 54 5.5400 29.88 3 175.83 25 0.0674 1.45 122 99.5 0.68 57 5.3636 30.97 4 175.84 20 0.0652 1.46 147 108.8 0.67 48 5.7588 31.75 5 176.57 17 0.0676 1.48 127 101.3 0.55 47 5.7153 36.42 6 177.65 21 0.0673 1.45 144 98.3 0.68 48 5.6770 31.64 7 178.22 20 0.0672 1.38 142 105.3 0.64 48 5.3994 25.83 8 179.71 18 0.0691 1.40 135 99.0 0.74 46 5.2009 27.57 9 179.93 18 0.0658 1.42 159 112.2 0.70 53 6.0039 30.93 10 180.07 19 0.0677 1.49 128 101.6 0.74 48 5.7669 34.27 11 180.33 17 0.0674 1.46 136 109.2 0.66 55 5.1905 23.43 12 180.35 16 0.0655 1.43 162 113.8 0.69 48 5.7129 32.50 13 180.46 18 0.0676 1.44 137 104.9 0.71 59 5.7908 32.89 14 181.15 24 0.0676 1.61 152 106.1 0.60 47 5.5874 29.20 15 181.21 18 0.0664 1.81 154 117.2 0.60 61 5.9790 32.38 16 181.61 26 0.0696 1.53 120 100.5 0.57 54 5.3438 28.04 17 182.58 15 0.0659 1.42 162 112.1 0.71 51 6.3261 37.92 18 182.90 18 0.0662 1.36 163 115.9 0.64 60 6.3281 29.07 19 183.56 11 0.0663 1.41 149 115.3 0.65 59 6.0845 30.41 20 183.63 17 0.0668 1.46 166 113.2 0.62 56 6.0933 30.27 Ave 179.30 19 0.0669 1.47 144 106.9 0.66 52 5.7181 30.93 +/- 3.32 3 0.0011 0.09 14 6.4 0.05 5 0.3307 3.28 Min 170.35 11 0.0652 1.36 120 97.1 0.55 46 5.1905 23.43 Max 183.63 26 0.0696 1.81 166 117.2 0.74 61 6.3281 37.92 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 62 3.63 7 0.87 1.08 *++ + + + + peak 2933 QD2 LEU 62 - H GLU 67 H SER 79 - HA GLN 82 Upper H LEU 62 - HG LEU 62 3.15 6 0.32 1.24 ++ * ++ + peak 884 Upper HD1 TRP 72 - HB3 LEU 73 3.94 11 0.86 1.61 + +++ + ++ ++* + peak 225 Upper HB3 ARG 74 - HA PRO 75 3.52 20 1.38 1.47 *+++++++++++++++++++ peak 2693 Upper HG3 GLU 85 - QD1 LEU 86 4.04 8 0.63 1.37 + + ++ *+ + + peak 3057 Upper H LEU 87 - HA VAL 88 3.93 12 0.94 1.15 +++ + *+ +++ +++ peak 376 Upper H GLN 91 - QD PHE 92 4.79 18 1.08 1.29 *++++++++++ ++++++ + peak 1149 Upper H LEU 96 - HG LEU 96 3.38 6 0.31 1.11 * ++ + ++ peak 1185 Upper HB3 PRO 97 - QG2 ILE 100 3.51 9 0.70 0.94 + + ++ * +++ + peak 1612 QB GLU 99 - QG2 ILE 100 QG2 ILE 100 - HB2 GLN 101 QG2 ILE 100 - HG3 GLN 101 Upper HG3 GLN 101 - QB ALA 102 4.48 12 0.81 1.13 +*+ + +++ + +++ + peak 4091 Upper QE PHE 347 - QD2 LEU 362 3.63 6 0.83 1.03 + + ++ * + peak 2933 QD2 LEU 362 - H GLU 367 H SER 379 - HA GLN 382 Upper HA ALA 355 - QG2 THR 356 4.28 7 0.74 1.09 * + ++ ++ + peak 2114 Upper QB ALA 355 - H GLY 357 2.85 6 0.50 1.09 + ++ + *+ peak 2505 QB ARG 346 - QD2 LEU 368 HB2 LEU 365 - QD2 LEU 368 Upper HA TRP 372 - HD1 TRP 372 3.10 7 0.46 1.31 ++ ++ + *+ peak 50 Upper HD1 TRP 372 - HB3 LEU 373 3.94 11 0.93 1.27 *+ ++ + +++ ++ + peak 225 Upper HB3 ARG 374 - HA PRO 375 3.52 20 1.39 1.48 +++++++++*++++++++++ peak 2693 Upper HD2 PRO 375 - H ARG 378 4.92 6 0.79 1.07 + + + * ++ peak 301 H ARG 378 - HB3 SER 379 Upper H LEU 387 - HA VAL 388 3.93 10 0.92 1.12 + + +++ ++ *++ peak 376 Upper H GLN 391 - QD PHE 392 4.79 14 1.04 1.33 + ++++ *+ ++ +++ + + peak 1149 Upper H LEU 396 - HG LEU 396 3.38 6 0.37 1.21 * + + + ++ peak 1185 Upper HB3 PRO 397 - QG2 ILE 400 3.51 8 0.73 0.99 +++* ++ + + peak 1612 QB GLU 399 - QG2 ILE 400 QG2 ILE 400 - HB2 GLN 401 QG2 ILE 400 - HG3 GLN 401 Upper HG3 GLN 401 - QB ALA 402 4.48 13 0.84 1.18 +++++++ ++ *+++ peak 4091 VdW HA2 GLY 39 - CD PRO 40 2.60 14 0.16 0.24 + ++ ++++ + ++ ++* + VdW HA3 GLY 39 - CD PRO 40 2.60 6 0.08 0.31 + + + * + + VdW CG PHE 47 - C PHE 47 2.90 8 0.19 0.25 + +++++ + * VdW HE1 PHE 47 - HB3 LEU 65 2.00 8 0.14 0.42 + + ++* + ++ VdW CZ PHE 47 - CB GLN 91 3.20 7 0.16 0.26 + *+ + ++ + VdW HZ PHE 47 - C LEU 87 2.50 7 0.12 0.34 + ++ + +*+ VdW HZ PHE 47 - O LEU 87 2.30 7 0.14 0.35 + + ++* ++ VdW HZ PHE 47 - HA VAL 88 2.00 8 0.15 0.34 + + ++ + * ++ VdW CG HIS 51 - C HIS 51 2.90 14 0.21 0.25 + ++ +++++ + + +*++ VdW N GLU 53 - CG GLU 53 2.85 7 0.19 0.20 *++ + + ++ VdW HG3 GLU 60 - C GLU 60 2.50 12 0.17 0.32 + + + ++* ++ ++++ VdW O GLU 60 - HG2 GLN 64 2.30 8 0.16 0.37 + + +* + ++ + VdW O ALA 63 - HB3 GLU 67 2.30 6 0.14 0.41 ++ * ++ + VdW CG GLU 67 - C GLU 67 2.90 9 0.20 0.24 ++ + * +++ + + VdW CG GLU 67 - N LEU 68 3.05 7 0.13 0.30 + * + + ++ + VdW CD2 LEU 68 - N CYS 69 3.05 9 0.15 0.37 + ++ + + ++ +* VdW CG TRP 72 - C TRP 72 2.90 14 0.18 0.26 + +++ *+ + +++++++ VdW CD1 TRP 72 - C TRP 72 3.10 15 0.38 0.55 + +++ ++++ ++*++++ VdW HD1 TRP 72 - C TRP 72 2.50 10 0.16 0.29 + +++ + + + *+ + VdW HD1 TRP 72 - O TRP 72 2.30 10 0.19 0.34 + +++ + + * ++ + VdW C LEU 73 - CG ARG 74 3.10 6 0.09 0.28 ++ + + * + VdW O LEU 73 - O ARG 74 2.60 6 0.13 0.47 * +++ + + VdW HA ARG 74 - CD PRO 75 2.60 15 0.24 0.31 ++++++++++++ + +* VdW C ARG 74 - H GLU 76 2.45 7 0.18 0.38 ++ + + + + * VdW CG GLU 76 - C GLU 76 2.90 10 0.14 0.22 + ++ ++ ++* + + VdW CB ARG 78 - H SER 79 2.55 13 0.26 0.40 + ++ + * ++++++ ++ VdW O LYS 80 - HB2 LEU 84 2.30 8 0.11 0.44 + ++* + + + + VdW O LYS 80 - CG LEU 84 2.90 6 0.11 0.41 + + ++ * + VdW O LYS 80 - CD1 LEU 84 2.90 9 0.15 0.50 ++ + +++ +*+ VdW CB MET 83 - CE MET 83 3.00 11 0.18 0.25 ++ + ++ *+++ + + VdW HB2 MET 83 - CE MET 83 2.60 8 0.18 0.58 +++ + * +++ VdW C MET 83 - CD2 LEU 86 3.10 6 0.10 0.48 + + + * + + VdW O MET 83 - CD1 LEU 86 2.90 8 0.14 0.44 + + + * + +++ VdW O MET 83 - CD2 LEU 86 2.90 10 0.26 0.69 ++ ++++* + + + VdW O LEU 84 - CD2 LEU 87 2.90 9 0.17 0.53 + ++ ++ * ++ + VdW O LEU 84 - N VAL 88 2.75 17 0.32 0.57 + ++++++++*+ ++++++ VdW O LEU 84 - H VAL 88 1.80 11 0.21 0.42 + + + ++ * ++++ + VdW H LEU 86 - CG LEU 86 2.55 7 0.10 0.35 + + * ++ + + VdW CD2 LEU 86 - H LEU 87 2.55 6 0.14 0.52 * ++ + + + VdW N LEU 87 - CD2 LEU 87 3.05 6 0.11 0.32 + + ++ + * VdW H LEU 87 - CD2 LEU 87 2.55 6 0.14 0.40 + ++ + * + VdW CD2 LEU 87 - C LEU 87 3.10 9 0.19 0.57 * + ++ ++ + + + VdW CD2 LEU 87 - N VAL 88 3.05 10 0.21 0.60 + + ++ *+ ++ + + VdW HD21 LEU 87 - N VAL 88 2.45 7 0.11 0.44 + + ++ * + + VdW HD22 LEU 87 - N VAL 88 2.45 6 0.09 0.40 + + + *+ + VdW CG1 VAL 88 - C VAL 88 2.90 9 0.15 0.28 ++ + ++ + + + * VdW HB2 LEU 89 - HD3 PRO 112 2.00 14 0.25 0.39 ++ +++ ++ + ++++*+ VdW HA LEU 96 - CD PRO 97 2.60 6 0.18 0.24 ++ ++* + VdW CB PRO 97 - HD2 PRO 98 2.60 11 0.19 0.26 + +++ +* +++ + + VdW HB2 PRO 97 - HD2 PRO 98 2.00 12 0.22 0.33 + +++ +* ++++ + + VdW HG2 PRO 97 - CG1 ILE 100 2.60 19 0.29 0.39 +++++++++++++++++* + VdW HG2 PRO 97 - HG12 ILE 100 2.00 19 0.37 0.59 ++++++ +++++++++*+++ VdW O PRO 97 - CB GLN 101 2.90 7 0.11 0.45 + + ++ + + * VdW O PRO 97 - CG GLN 101 2.90 9 0.14 0.33 +++ + + * + + + VdW H GLU 99 - CG GLU 99 2.55 9 0.19 0.32 + + + * ++ + ++ VdW N ILE 100 - CG1 ILE 100 2.85 7 0.14 0.24 + + * ++ + + VdW N ILE 100 - HG12 ILE 100 2.45 8 0.20 0.48 + * + + +++ + VdW H ILE 100 - CG1 ILE 100 2.55 6 0.13 0.35 + + *+ + + VdW H ILE 100 - HG12 ILE 100 1.95 12 0.21 0.39 + +* + + ++ + ++++ VdW HB2 PRO 109 - HB2 GLU 114 2.00 10 0.17 0.32 +* + ++ ++++ + VdW H LEU 118 - CG LEU 118 2.55 14 0.21 0.33 + ++++++ + *+ + +++ VdW HA2 GLY 339 - CD PRO 340 2.60 14 0.18 0.25 ++++ +++*+ +++ ++ VdW CG PHE 347 - C PHE 347 2.90 13 0.21 0.25 +++++ +++ ++*+ + VdW HE1 PHE 347 - HB3 LEU 365 2.00 6 0.12 0.38 + + + + + * VdW HZ PHE 347 - HA VAL 388 2.00 7 0.13 0.31 + + + * + + + VdW HE2 PHE 347 - HB3 LEU 365 2.00 7 0.11 0.37 * ++ ++++ VdW CG HIS 351 - C HIS 351 2.90 13 0.18 0.25 + ++++ +++ +* +++ VdW HG3 GLU 360 - C GLU 360 2.50 10 0.14 0.29 + ++ + +*+ +++ VdW O GLU 360 - HG2 GLN 364 2.30 10 0.20 0.40 + ++ ++ +* +++ VdW H GLN 364 - CG GLN 364 2.55 7 0.16 0.27 *++ + ++ + VdW O LEU 365 - N CYS 369 2.75 7 0.11 0.33 + + ++* ++ VdW CG GLU 367 - C GLU 367 2.90 18 0.22 0.24 *++++++++ ++++ +++++ VdW CG GLU 367 - N LEU 368 3.05 6 0.13 0.36 + + * + + + VdW HG3 GLU 367 - C GLU 367 2.50 6 0.15 0.27 * + + + ++ VdW CG TRP 372 - C TRP 372 2.90 13 0.15 0.26 ++ + ++ +*+++ +++ VdW CD1 TRP 372 - C TRP 372 3.10 12 0.29 0.55 ++ + ++ *++++ ++ VdW HD1 TRP 372 - C TRP 372 2.50 7 0.11 0.32 + + * ++ ++ VdW HD1 TRP 372 - O TRP 372 2.30 7 0.11 0.30 + ++++ +* VdW O LEU 373 - O ARG 374 2.60 7 0.17 0.36 + + + ++ + * VdW HA ARG 374 - CD PRO 375 2.60 16 0.25 0.31 +++++++++ ++++ ++ * VdW C ARG 374 - H GLU 376 2.45 10 0.18 0.38 * + ++ + ++++ + VdW CG GLU 376 - C GLU 376 2.90 8 0.14 0.22 ++ * + ++ ++ VdW CB ARG 378 - H SER 379 2.55 11 0.22 0.40 + + + * ++ +++++ VdW HG2 LYS 380 - N GLU 381 2.45 7 0.14 0.64 + + + * + ++ VdW O LYS 380 - HB2 LEU 384 2.30 8 0.13 0.45 +++ * + ++ + VdW O LYS 380 - CD1 LEU 384 2.90 6 0.11 0.47 * +++ + + VdW O LYS 380 - CD2 LEU 384 2.90 6 0.14 0.46 ++ + * + + VdW C GLN 382 - HG2 GLU 385 2.50 7 0.11 0.34 + ++ + + +* VdW O GLN 382 - CG GLU 385 2.90 6 0.09 0.32 + ++ + *+ VdW CB MET 383 - CE MET 383 3.00 13 0.19 0.25 *+ +++++ + ++ ++ + VdW C MET 383 - CD1 LEU 386 3.10 7 0.21 0.70 + * + ++ + + VdW O MET 383 - CD1 LEU 386 2.90 11 0.26 0.66 + + +++ +*++ + + VdW O MET 383 - HD12 LEU 386 2.30 6 0.11 0.45 + + ++ + * VdW O MET 383 - CD2 LEU 386 2.90 9 0.24 0.65 + ++*+ + ++ + VdW O MET 383 - HD22 LEU 386 2.30 7 0.13 0.57 ++++ * + + VdW HA LEU 384 - CD2 LEU 387 2.60 6 0.10 0.40 * + ++ + + VdW HB3 LEU 384 - CG2 VAL 388 2.60 9 0.16 0.36 + + ++*+ + + + VdW O LEU 384 - CD2 LEU 387 2.90 9 0.18 0.47 + ++++ + + *+ VdW O LEU 384 - N VAL 388 2.75 16 0.29 0.49 +++++++++ + +++ +*+ VdW O LEU 384 - H VAL 388 1.80 7 0.19 0.45 + + * + ++ + VdW O LEU 384 - CB VAL 388 2.90 7 0.15 0.42 * + + + + + + VdW O LEU 384 - HB VAL 388 2.30 9 0.20 0.43 *+ + ++ + + + + VdW N LEU 386 - CD1 LEU 386 3.05 6 0.11 0.42 + + + ++ * VdW H LEU 386 - CG LEU 386 2.55 9 0.16 0.35 ++++ +++ *+ VdW H LEU 386 - CD1 LEU 386 2.55 9 0.19 0.48 * + + +++ ++ + VdW N LEU 387 - CD1 LEU 387 3.05 7 0.15 0.47 + ++ + *+ + VdW H LEU 387 - CD1 LEU 387 2.55 9 0.17 0.43 + ++* + ++ ++ VdW H LEU 387 - CD2 LEU 387 2.55 10 0.19 0.36 + ++ ++ +*+ ++ VdW CD2 LEU 387 - N VAL 388 3.05 9 0.18 0.51 + * +++ ++ + + VdW CG1 VAL 388 - C VAL 388 2.90 7 0.19 0.33 + ++ * + + + VdW HB2 LEU 389 - HD3 PRO 412 2.00 11 0.21 0.38 ++ * ++ +++ +++ VdW CB PRO 397 - HD2 PRO 398 2.60 6 0.18 0.29 * ++ + ++ VdW HB2 PRO 397 - HD2 PRO 398 2.00 10 0.21 0.38 + * + ++ + ++ ++ VdW HG2 PRO 397 - HG3 GLU 399 2.00 6 0.10 0.39 + + + +*+ VdW HG2 PRO 397 - CG1 ILE 400 2.60 15 0.26 0.45 +++ +++ + +++*+++ + VdW HG2 PRO 397 - HG12 ILE 400 2.00 17 0.36 0.59 *++++++++ +++++ +++ VdW O PRO 397 - CG GLN 401 2.90 14 0.20 0.37 +*+++++++ ++++ + VdW H ILE 400 - HG12 ILE 400 1.95 6 0.12 0.45 + + +*++ VdW H LEU 418 - CG LEU 418 2.55 10 0.15 0.35 ++ + + + + + * + + VdW CD1 LEU 422 - C LEU 422 3.10 7 0.17 0.33 + * + +++ + Angle PSI CYS 49 -51.00 -5.00 6 4.19 8.76 + + + ++* Angle PHI GLN 59 -77.00 -57.00 10 4.80 11.73 + + + +++* +++ Angle PSI GLN 59 -46.00 -26.00 12 6.32 17.16 ++ +++ + + + +++ * Angle PHI LEU 62 -71.00 -51.00 9 3.96 7.63 +++ + ++++* Angle PHI ARG 66 -76.00 -56.00 6 2.79 7.73 + + + *+ + Angle PSI ARG 66 -50.00 -30.00 10 5.52 16.44 + +++ + ++*+ + Angle PHI GLU 67 -79.00 -59.00 8 5.15 15.34 ++ + + * + ++ Angle PHI LEU 68 -74.00 -54.00 7 3.16 8.91 +*+ + + + + Angle PSI ARG 70 -51.00 -31.00 6 3.74 7.95 +* ++ + + Angle PHI GLU 76 -78.00 -58.00 13 6.21 14.38 + ++ + + ++++++*+ Angle PSI SER 79 155.00 175.00 14 8.53 18.28 + +++ + ++++++ *+ + Angle PSI LYS 80 -48.00 -28.00 9 6.45 15.83 ++ + +* + ++ + Angle PHI GLU 81 -73.00 -53.00 11 9.85 28.35 +++ ++ ++ *+++ Angle PSI GLU 81 -50.00 -30.00 14 7.68 18.25 ++ +* + + ++++++++ Angle PHI GLN 82 -76.00 -56.00 10 7.62 25.96 + +++++ + +* + Angle PHI MET 83 -75.00 -55.00 16 12.80 26.73 ++ +++++++*+++ +++ Angle PSI MET 83 -52.00 -32.00 16 13.94 28.40 + + +++ ++++++++*++ Angle PHI LEU 84 -73.00 -53.00 19 19.78 37.92 +++++++++++++ ++*+++ Angle PHI GLU 85 -75.00 -55.00 11 6.57 18.40 ++++ + + ++ *++ Angle PSI GLU 85 -54.00 -34.00 11 7.47 28.35 ++ ++ +++ +*+ + Angle PHI LEU 86 -74.00 -54.00 10 6.18 18.47 ++ + *+ +++ + + Angle PSI LEU 86 -51.00 -31.00 8 5.23 17.20 + * + +++ + + Angle PHI LEU 87 -77.00 -57.00 20 17.51 30.35 *+++++++++++++++++++ Angle PSI LEU 87 -51.00 -31.00 12 10.11 23.87 ++ + +* ++ ++ +++ Angle PHI VAL 88 -78.00 -58.00 10 4.19 11.80 ++ + ++ + * +++ Angle PSI GLU 90 -52.00 -32.00 15 5.91 10.27 + ++++ +++*++++++ Angle PHI GLN 91 -74.00 -54.00 19 9.68 13.60 +++++++*+++ ++++++++ Angle PSI GLN 91 -46.00 -26.00 13 6.81 13.83 +*++ + +++ +++++ Angle PSI PRO 97 132.20 154.90 20 21.32 24.23 +++++++++*++++++++++ Angle PSI PRO 98 -46.00 -28.00 19 13.37 21.47 ++ +++++++++++++++*+ Angle PHI GLU 99 -76.00 -56.00 19 7.55 12.62 +++++++++++++++++ *+ Angle PHI ILE 100 -73.00 -53.00 20 12.84 18.16 ++++++*+++++++++++++ Angle PSI ALA 115 -49.00 -29.00 6 3.00 8.12 + * ++ ++ Angle PHI ASP 120 -69.00 -49.00 10 4.65 10.71 + ++ * ++++ ++ Angle PSI ASP 120 -52.00 -32.00 10 4.28 8.12 + + + ++ ++ + +* Angle PHI ARG 346 -76.00 -56.00 6 3.72 8.74 *+ + + ++ Angle PSI CYS 349 -51.00 -5.00 10 4.44 8.40 ++++ +++ *+ + Angle PHI GLN 359 -77.00 -57.00 9 4.89 11.22 + + + ++++ + * Angle PSI GLN 359 -46.00 -26.00 7 4.65 11.86 + ++++ * + Angle PHI LEU 362 -71.00 -51.00 7 4.39 8.36 *+ + + ++ + Angle PSI ARG 366 -50.00 -30.00 7 4.46 11.48 + + + + ++* Angle PHI GLU 367 -79.00 -59.00 6 3.66 14.67 ++ + +* + Angle PHI GLU 376 -78.00 -58.00 13 6.23 12.53 ++ + + * ++++++++ Angle PSI SER 379 155.00 175.00 16 8.74 19.23 + * ++ ++++++++++++ Angle PSI LYS 380 -48.00 -28.00 9 4.00 17.67 ++ + + + ++ +* Angle PHI GLU 381 -73.00 -53.00 11 9.63 26.38 ++ ++ +++ + ++* Angle PHI GLN 382 -76.00 -56.00 12 6.63 16.10 + + +* + ++ + ++ ++ Angle PHI MET 383 -75.00 -55.00 18 14.36 26.07 ++++++++*++++++++ + Angle PSI MET 383 -52.00 -32.00 17 14.39 28.09 ++++ +++*+ ++++++++ Angle PHI LEU 384 -73.00 -53.00 20 23.29 36.42 ++++*+++++++++++++++ Angle PHI GLU 385 -75.00 -55.00 8 6.27 17.60 + + * ++ ++ + Angle PSI GLU 385 -54.00 -34.00 11 8.27 28.05 ++ + + +++ +++ * Angle PHI LEU 386 -74.00 -54.00 8 5.26 19.73 ++ + + + ++* Angle PSI LEU 386 -51.00 -31.00 13 7.68 17.92 ++ +++++ ++ + ++* Angle PHI LEU 387 -77.00 -57.00 18 17.37 33.30 *++++++ +++++++++++ Angle PSI LEU 387 -51.00 -31.00 9 6.90 23.70 + + *++ + + + + Angle PSI GLU 390 -52.00 -32.00 9 5.01 11.51 ++ + + +++ + * Angle PHI GLN 391 -74.00 -54.00 19 9.36 14.86 ++++++++++*++++++++ Angle PSI GLN 391 -46.00 -26.00 16 6.84 12.38 ++++ ++++++++++ +* Angle PSI PRO 397 132.20 154.90 20 20.89 25.66 +++*++++++++++++++++ Angle PSI PRO 398 -46.00 -28.00 16 11.17 19.14 ++++ ++++ +++ ++ *++ Angle PHI GLU 399 -76.00 -56.00 17 7.11 13.19 ++*+ ++++++++ ++ +++ Angle PHI ILE 400 -73.00 -53.00 20 12.18 20.89 ++++++++++*+++++++++ Angle PHI GLU 414 -74.00 -54.00 7 4.55 8.35 + * + + + + + Angle PSI ALA 416 -50.00 -30.00 8 3.44 7.42 + + * + + ++ + Angle PHI ASP 420 -69.00 -49.00 11 5.04 11.78 + ++ ++ + + + + +* Angle PSI ASP 420 -52.00 -32.00 7 4.03 8.81 * + + ++++ 22 violated distance constraints. 120 violated van der Waals constraints. 67 violated angle constraints. RMSDs for residues 40..122: Average backbone RMSD to mean : 0.65 +/- 0.13 A (0.42..0.89 A) Average heavy atom RMSD to mean : 1.12 +/- 0.13 A (0.89..1.37 A)