| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 53.7 | Low | 61.3 | Low | 209 Ų | 209 | 91.3 Ų | 91.3 | 100% | 1.03 | 60% | 0.595 | S | S | * | * | 0 | -49.3 | 0 | -133.5 | -173.8 | -111.9 | 0 | 0 | 112.4 | T4 A5 | M1-T4 VanDerWaalsContact C-OG1 3.28Å; M1-T4 VanDerWaalsContact CA-OG1 3.24Å; M1-T4 WeakPolarHBondContact CA-OG1 3.36Å; M1-T4 PolarHBondContact O-OG1 3.18Å; M1-A5 PolarHBondContact O-N 2.91Å | |||
| 2 | A | 55.7 | Low | 62.6 | Low | 86 Ų | 86 | 93.3 Ų | 93.3 | 71% | 0.711 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -64.7 | -50 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | T4 A5 A6 | A2-T4 VanDerWaalsContact C-N 3.32Å; A2-T4 PolarHBondContact O-N 2.84Å; A2-A5 PolarHBondContact O-N 3.02Å; A2-A5 VanDerWaalsContact O-N 3.07Å; A2-A6 PolarHBondContact O-N 3.07Å |
| 3 | A | 56.8 | Low | 64.4 | Low | 81 Ų | 81 | 91.9 Ų | 91.9 | 67% | 0.669 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -59 | -39.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | A5 A6 A7 | A3-A5 VanDerWaalsContact C-N 3.34Å; A3-A5 PolarHBondContact O-N 2.96Å; A3-A6 PolarHBondContact O-N 3.37Å; A3-A7 PolarHBondContact O-N 3.26Å |
| 4 | T | 59.3 | Low | 66 | Low | 90 Ų | 90 | 90 Ų | 90 | 55% | 0.552 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.8 | -31.6 | 175.7 | 43.4 | 0 | 0 | 0 | 0 | 113.1 | M1 A2 V8 | M1-T4 VanDerWaalsContact C-OG1 3.28Å; M1-T4 VanDerWaalsContact CA-OG1 3.24Å; M1-T4 WeakPolarHBondContact CA-OG1 3.36Å; M1-T4 PolarHBondContact O-OG1 3.18Å; A2-T4 VanDerWaalsContact C-N 3.32Å; A2-T4 PolarHBondContact O-N 2.84Å; T4-V8 VanDerWaalsContact O-CG2 3.28Å; T4-V8 WeakPolarHBondContact O-CG2 3.49Å; T4-V8 PolarHBondContact O-N 3Å |
| 5 | A | 58.7 | Low | 67.6 | Low | 57 Ų | 57 | 93 Ų | 93 | 47% | 0.471 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -74.3 | -38.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | M1 A2 A3 V8 V9 | M1-A5 PolarHBondContact O-N 2.91Å; A2-A5 PolarHBondContact O-N 3.02Å; A2-A5 VanDerWaalsContact O-N 3.07Å; A3-A5 VanDerWaalsContact C-N 3.34Å; A3-A5 PolarHBondContact O-N 2.96Å; A5-V8 PolarHBondContact O-N 3.42Å; A5-V9 VanDerWaalsContact O-CG2 3.3Å; A5-V9 WeakPolarHBondContact O-CG2 3.3Å; A5-V9 PolarHBondContact O-N 2.94Å |
| 6 | A | 60.7 | Low | 69.2 | Low | 62 Ų | 62 | 93.2 Ų | 93.2 | 51% | 0.512 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.8 | -40.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A2 A3 A10 | A2-A6 PolarHBondContact O-N 3.07Å; A3-A6 PolarHBondContact O-N 3.37Å; A6-A10 WeakPolarHBondContact O-CB 3.49Å; A6-A10 PolarHBondContact O-N 3.14Å |
| 7 | A | 61.8 | Low | 70.7 | Confident | 55 Ų | 55 | 96.6 Ų | 96.6 | 46% | 0.455 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.1 | -47.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A3 V9 A10 E11 | A3-A7 PolarHBondContact O-N 3.26Å; A7-V9 PolarHBondContact O-N 2.86Å; A7-A10 PolarHBondContact O-N 3.41Å; A7-E11 PolarHBondContact O-N 2.74Å |
| 8 | V | 62 | Low | 72 | Confident | 95 Ų | 95 | 97.4 Ų | 97.4 | 58% | 0.576 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63.1 | -39.5 | 178.5 | 170.8 | 0 | 0 | 0 | 0 | 112.1 | T4 A5 E11 E12 | T4-V8 VanDerWaalsContact O-CG2 3.28Å; T4-V8 WeakPolarHBondContact O-CG2 3.49Å; T4-V8 PolarHBondContact O-N 3Å; A5-V8 PolarHBondContact O-N 3.42Å; V8-E11 PolarHBondContact O-N 2.68Å; V8-E12 WeakPolarHBondContact O-CB 3.45Å; V8-E12 PolarHBondContact O-N 2.77Å |
| 9 | V | 65.2 | Low | 73.2 | Confident | 84 Ų | 84 | 97.5 Ų | 97.5 | 51% | 0.509 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68 | -36.5 | 175.3 | 170.5 | 0 | 0 | 0 | 0 | 111.6 | A5 A7 D13 | A5-V9 VanDerWaalsContact O-CG2 3.3Å; A5-V9 WeakPolarHBondContact O-CG2 3.3Å; A5-V9 PolarHBondContact O-N 2.94Å; A7-V9 PolarHBondContact O-N 2.86Å; V9-D13 WeakPolarHBondContact O-CB 3.31Å; V9-D13 PolarHBondContact O-N 2.82Å |
| 10 | A | 68.8 | Low | 74.2 | Confident | 54 Ų | 54 | 97.7 Ų | 97.7 | 45% | 0.446 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68.1 | -39.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A6 A7 D13 T14 | A6-A10 WeakPolarHBondContact O-CB 3.49Å; A6-A10 PolarHBondContact O-N 3.14Å; A7-A10 PolarHBondContact O-N 3.41Å; A10-D13 PolarHBondContact O-N 3.08Å; A10-T14 PolarHBondContact O-N 2.97Å; A10-T14 PolarHBondContact O-OG1 3.05Å |
| 11 | E | 71.3 | Confident | 75.1 | Confident | 131 Ų | 131 | 96 Ų | 96 | 61% | 0.612 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.9 | -43.5 | 175.6 | -71.4 | -161.2 | 162.3 | 0 | 0 | 111.9 | A7 V8 D13 T14 E15 | A7-E11 PolarHBondContact O-N 2.74Å; V8-E11 PolarHBondContact O-N 2.68Å; E11-D13 VanDerWaalsContact C-N 3.33Å; E11-D13 PolarHBondContact O-N 3.29Å; E11-T14 VanDerWaalsContact CA-OG1 3.31Å; E11-T14 WeakPolarHBondContact CA-OG1 3.49Å; E11-T14 PolarHBondContact O-N 3.41Å; E11-T14 PolarHBondContact O-OG1 3.36Å; E11-E15 WeakPolarHBondContact O-CG 3.44Å; E11-E15 PolarHBondContact O-N 3.23Å |
| 12 | E | 77.2 | Confident | 77 | Confident | 115 Ų | 115 | 91.5 Ų | 91.5 | 54% | 0.537 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.5 | -42.1 | 174.1 | -171 | 173.2 | -168.8 | 0 | 0 | 111.5 | V8 T14 E15 L16 | V8-E12 WeakPolarHBondContact O-CB 3.45Å; V8-E12 PolarHBondContact O-N 2.77Å; E12-T14 VanDerWaalsContact C-N 3.33Å; E12-T14 PolarHBondContact O-N 3.02Å; E12-E15 PolarHBondContact O-N 3.49Å; E12-L16 HydrophobicContact CG-CD1 4.19Å; E12-L16 WeakPolarHBondContact O-CB 3.41Å; E12-L16 WeakPolarHBondContact O-CD1 3.34Å; E12-L16 WeakPolarHBondContact O-CG 3.44Å; E12-L16 PolarHBondContact O-N 3.47Å |
| 13 | D | 86.4 | Confident | 78.8 | Confident | 76 Ų | 76 | 90.9 Ų | 90.9 | 41% | 0.406 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.5 | -32.7 | 173.3 | -99.7 | 4 | 0 | 0 | 0 | 113.1 | V9 A10 E11 R17 | V9-D13 WeakPolarHBondContact O-CB 3.31Å; V9-D13 PolarHBondContact O-N 2.82Å; A10-D13 PolarHBondContact O-N 3.08Å; E11-D13 VanDerWaalsContact C-N 3.33Å; E11-D13 PolarHBondContact O-N 3.29Å; D13-R17 WeakPolarHBondContact O-CD 3.35Å; D13-R17 WeakPolarHBondContact O-CG 3.28Å; D13-R17 PolarHBondContact O-N 3Å; D13-R17 PolarHBondContact O-NE 3.27Å; D13-R17 IonicContact OD2-NH2 3.85Å |
| 14 | T | 86.9 | Confident | 80.5 | Confident | 65 Ų | 65 | 89.9 Ų | 89.9 | 40% | 0.399 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -76 | -43.4 | 174.5 | 49.4 | 0 | 0 | 0 | 0 | 112.5 | A10 E11 E12 L16 R17 D18 | A10-T14 PolarHBondContact O-N 2.97Å; A10-T14 PolarHBondContact O-OG1 3.05Å; E11-T14 VanDerWaalsContact CA-OG1 3.31Å; E11-T14 WeakPolarHBondContact CA-OG1 3.49Å; E11-T14 PolarHBondContact O-N 3.41Å; E11-T14 PolarHBondContact O-OG1 3.36Å; E12-T14 VanDerWaalsContact C-N 3.33Å; E12-T14 PolarHBondContact O-N 3.02Å; T14-L16 VanDerWaalsContact C-N 3.26Å; T14-L16 PolarHBondContact O-N 3.22Å; T14-R17 WeakPolarHBondContact O-CB 3.34Å; T14-R17 PolarHBondContact O-N 3.37Å; T14-D18 PolarHBondContact O-N 3.12Å |
| 15 | E | 90.3 | Very high | 81.9 | Confident | 135 Ų | 135 | 89 Ų | 89 | 63% | 0.631 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -58.5 | -40 | 174.8 | -71.9 | -174.9 | -179.6 | 0 | 0 | 111.2 | E11 E12 D18 L19 | E11-E15 WeakPolarHBondContact O-CG 3.44Å; E11-E15 PolarHBondContact O-N 3.23Å; E12-E15 PolarHBondContact O-N 3.49Å; E15-D18 PolarHBondContact O-N 3.46Å; E15-L19 WeakPolarHBondContact O-CB 3.38Å; E15-L19 PolarHBondContact O-N 3.09Å |
| 16 | L | 93.3 | Very high | 83.3 | Confident | 96 Ų | 96 | 92.6 Ų | 92.6 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.4 | -36.4 | 175.4 | -73.1 | 166.6 | 0 | 0 | 0 | 112.8 | E12 T14 L20 | E12-L16 HydrophobicContact CG-CD1 4.19Å; E12-L16 WeakPolarHBondContact O-CB 3.41Å; E12-L16 WeakPolarHBondContact O-CD1 3.34Å; E12-L16 WeakPolarHBondContact O-CG 3.44Å; E12-L16 PolarHBondContact O-N 3.47Å; T14-L16 VanDerWaalsContact C-N 3.26Å; T14-L16 PolarHBondContact O-N 3.22Å; L16-L20 VanDerWaalsContact O-CB 3.3Å; L16-L20 WeakPolarHBondContact O-CB 3.32Å; L16-L20 PolarHBondContact O-N 3.4Å; L16-L20 VanDerWaalsContact O-N 3.08Å |
| 17 | R | 93.6 | Very high | 84.7 | Confident | 152 Ų | 152 | 93 Ų | 93 | 57% | 0.574 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -68 | -46.8 | 174.7 | -72.9 | 165.5 | -159.1 | -169.1 | 7.7 | 111.2 | D13 T14 L20 V21 | D13-R17 WeakPolarHBondContact O-CD 3.35Å; D13-R17 WeakPolarHBondContact O-CG 3.28Å; D13-R17 PolarHBondContact O-N 3Å; D13-R17 PolarHBondContact O-NE 3.27Å; D13-R17 IonicContact OD2-NH2 3.85Å; T14-R17 WeakPolarHBondContact O-CB 3.34Å; T14-R17 PolarHBondContact O-N 3.37Å; R17-L20 WeakPolarHBondContact O-CB 3.47Å; R17-L20 PolarHBondContact O-N 2.97Å; R17-V21 WeakPolarHBondContact O-CG2 3.4Å; R17-V21 PolarHBondContact O-N 2.71Å |
| 18 | D | 94.3 | Very high | 85.8 | Confident | 110 Ų | 110 | 91.9 Ų | 91.9 | 59% | 0.588 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -67.6 | -40.2 | -178.2 | -70.8 | -13.2 | 0 | 0 | 0 | 111.4 | T14 E15 L20 V21 Q22 | T14-D18 PolarHBondContact O-N 3.12Å; E15-D18 PolarHBondContact O-N 3.46Å; D18-L20 VanDerWaalsContact C-N 3.31Å; D18-L20 PolarHBondContact O-N 3.25Å; D18-V21 PolarHBondContact O-N 2.84Å; D18-Q22 WeakPolarHBondContact O-CB 3.38Å; D18-Q22 PolarHBondContact O-N 2.78Å |
| 19 | L | 94.6 | Very high | 87.2 | Confident | 99 Ų | 99 | 90.2 Ų | 90.2 | 52% | 0.518 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.5 | -38.9 | 171.7 | -178.7 | 62.6 | 0 | 0 | 0 | 111.9 | E15 T23 | E15-L19 WeakPolarHBondContact O-CB 3.38Å; E15-L19 PolarHBondContact O-N 3.09Å; L19-T23 VanDerWaalsContact O-CB 3.26Å; L19-T23 WeakPolarHBondContact O-CB 3.24Å; L19-T23 PolarHBondContact O-N 3.28Å; L19-T23 PolarHBondContact O-OG1 3.18Å |
| 20 | L | 94.4 | Very high | 88.3 | Confident | 101 Ų | 101 | 88.2 Ų | 88.2 | 53% | 0.529 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.3 | -44.5 | 175.3 | 179.7 | 62.4 | 0 | 0 | 0 | 111.5 | L16 R17 D18 T23 L24 | L16-L20 VanDerWaalsContact O-CB 3.3Å; L16-L20 WeakPolarHBondContact O-CB 3.32Å; L16-L20 PolarHBondContact O-N 3.4Å; L16-L20 VanDerWaalsContact O-N 3.08Å; R17-L20 WeakPolarHBondContact O-CB 3.47Å; R17-L20 PolarHBondContact O-N 2.97Å; D18-L20 VanDerWaalsContact C-N 3.31Å; D18-L20 PolarHBondContact O-N 3.25Å; L20-T23 PolarHBondContact O-N 3.4Å; L20-L24 HydrophobicContact CD1-CD1 4.07Å; L20-L24 HydrophobicContact CD1-CG 4.16Å; L20-L24 HydrophobicContact CG-CD1 4Å; L20-L24 HydrophobicContact CG-CG 4.48Å; L20-L24 WeakPolarHBondContact O-CB 3.34Å; L20-L24 VanDerWaalsContact O-CG 3.28Å; L20-L24 WeakPolarHBondContact O-CG 3.44Å; L20-L24 PolarHBondContact O-N 2.89Å |
| 21 | V | 92.5 | Very high | 89.1 | Confident | 64 Ų | 64 | 89.5 Ų | 89.5 | 39% | 0.388 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -57.6 | -52.5 | 174.2 | 170.2 | 0 | 0 | 0 | 0 | 109.9 | R17 D18 T23 L24 E25 L30 | R17-V21 WeakPolarHBondContact O-CG2 3.4Å; R17-V21 PolarHBondContact O-N 2.71Å; D18-V21 PolarHBondContact O-N 2.84Å; V21-T23 VanDerWaalsContact C-N 3.28Å; V21-T23 PolarHBondContact O-N 3.16Å; V21-L24 CarbonylContact O-C 3.59Å; V21-L24 PolarHBondContact O-N 3.04Å; V21-L24 VanDerWaalsContact O-N 3.09Å; V21-E25 HydrophobicContact CG1-CG 4.43Å; V21-E25 WeakPolarHBondContact O-CG 3.49Å; V21-E25 PolarHBondContact O-N 3.39Å; V21-L30 HydrophobicContact CG1-CD2 4.26Å |
| 22 | Q | 93.3 | Very high | 89.8 | Confident | 113 Ų | 113 | 90.1 Ų | 90.1 | 53% | 0.528 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.2 | -38.9 | 178.6 | -166.1 | -175.3 | 37 | 0 | 0 | 111.9 | D18 E25 N26 | D18-Q22 WeakPolarHBondContact O-CB 3.38Å; D18-Q22 PolarHBondContact O-N 2.78Å; Q22-E25 PolarHBondContact O-N 3.02Å; Q22-N26 VanDerWaalsContact O-CB 3.24Å; Q22-N26 WeakPolarHBondContact O-CB 3.31Å; Q22-N26 PolarHBondContact O-N 3.18Å; Q22-N26 PolarHBondContact O-ND2 2.76Å |
| 23 | T | 93.3 | Very high | 90.4 | Very high | 74 Ų | 74 | 88 Ų | 88 | 45% | 0.454 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.2 | -39.9 | 175.9 | -60 | 0 | 0 | 0 | 0 | 112.1 | L19 L20 V21 S27 | L19-T23 VanDerWaalsContact O-CB 3.26Å; L19-T23 WeakPolarHBondContact O-CB 3.24Å; L19-T23 PolarHBondContact O-N 3.28Å; L19-T23 PolarHBondContact O-OG1 3.18Å; L20-T23 PolarHBondContact O-N 3.4Å; V21-T23 VanDerWaalsContact C-N 3.28Å; V21-T23 PolarHBondContact O-N 3.16Å; T23-S27 WeakPolarHBondContact O-CB 3.39Å; T23-S27 PolarHBondContact O-N 3.04Å; T23-S27 PolarHBondContact O-OG 3.24Å |
| 24 | L | 92.4 | Very high | 90.4 | Very high | 60 Ų | 60 | 88.6 Ų | 88.6 | 31% | 0.314 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -72.8 | -27.6 | 176.9 | -68.7 | 172.8 | 0 | 0 | 0 | 112.6 | L20 V21 S27 G28 V29 L30 | L20-L24 HydrophobicContact CD1-CD1 4.07Å; L20-L24 HydrophobicContact CD1-CG 4.16Å; L20-L24 HydrophobicContact CG-CD1 4Å; L20-L24 HydrophobicContact CG-CG 4.48Å; L20-L24 WeakPolarHBondContact O-CB 3.34Å; L20-L24 VanDerWaalsContact O-CG 3.28Å; L20-L24 WeakPolarHBondContact O-CG 3.44Å; L20-L24 PolarHBondContact O-N 2.89Å; V21-L24 CarbonylContact O-C 3.59Å; V21-L24 PolarHBondContact O-N 3.04Å; V21-L24 VanDerWaalsContact O-N 3.09Å; L24-S27 WeakPolarHBondContact CA-OG 3.35Å; L24-S27 PolarHBondContact O-OG 2.93Å; L24-G28 PolarHBondContact O-N 3.34Å; L24-V29 HydrophobicContact CD2-CB 4.33Å; L24-V29 HydrophobicContact CD2-CG1 4.32Å; L24-V29 PolarHBondContact O-N 3.49Å; L24-V29 VanDerWaalsContact O-N 3.12Å; L24-L30 HydrophobicContact CB-CB 4.01Å; L24-L30 PolarHBondContact O-N 2.89Å |
| 25 | E | 90.1 | Very high | 90.2 | Very high | 72 Ų | 72 | 86.7 Ų | 86.7 | 34% | 0.336 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -75.1 | -47.8 | 171.6 | -71.4 | -172 | 151.2 | 0 | 0 | 111.9 | V21 Q22 S27 G28 L30 K34 | V21-E25 HydrophobicContact CG1-CG 4.43Å; V21-E25 WeakPolarHBondContact O-CG 3.49Å; V21-E25 PolarHBondContact O-N 3.39Å; Q22-E25 PolarHBondContact O-N 3.02Å; E25-S27 VanDerWaalsContact C-N 3.3Å; E25-S27 PolarHBondContact O-N 3.06Å; E25-G28 WeakPolarHBondContact O-CA 3.35Å; E25-G28 PolarHBondContact O-N 3.44Å; E25-L30 HydrophobicContact CG-CB 4.02Å; E25-L30 HydrophobicContact CG-CD2 3.53Å; E25-L30 HydrophobicContact CG-CG 4.35Å; E25-K34 IonicContact OE1-NZ 3.55Å; E25-K34 PolarHBondContact OE1-NZ 2.91Å |
| 26 | N | 86.9 | Confident | 90 | Very high | 132 Ų | 132 | 84.2 Ų | 84.2 | 71% | 0.706 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -63 | -33.9 | 177.9 | -74.5 | -21 | 0 | 0 | 0 | 113 | Q22 G28 | Q22-N26 VanDerWaalsContact O-CB 3.24Å; Q22-N26 WeakPolarHBondContact O-CB 3.31Å; Q22-N26 PolarHBondContact O-N 3.18Å; Q22-N26 PolarHBondContact O-ND2 2.76Å; N26-G28 PolarHBondContact O-N 3.37Å |
| 27 | S | 90.3 | Very high | 89.9 | Confident | 71 Ų | 71 | 84.8 Ų | 84.8 | 50% | 0.497 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -3.3 | 172.8 | 57.6 | 0 | 0 | 0 | 0 | 113.6 | T23 L24 E25 V29 | T23-S27 WeakPolarHBondContact O-CB 3.39Å; T23-S27 PolarHBondContact O-N 3.04Å; T23-S27 PolarHBondContact O-OG 3.24Å; L24-S27 WeakPolarHBondContact CA-OG 3.35Å; L24-S27 PolarHBondContact O-OG 2.93Å; E25-S27 VanDerWaalsContact C-N 3.3Å; E25-S27 PolarHBondContact O-N 3.06Å; S27-V29 PolarHBondContact O-N 3.49Å; S27-V29 VanDerWaalsContact O-N 3.13Å |
| 28 | G | 84.9 | Confident | 89.5 | Confident | 31 Ų | 31 | 86.3 Ų | 86.3 | 32% | 0.32 | 45% | 0.445 | S | S | . | . | S | Bend | trans | 72.5 | -6 | -179 | 0 | 0 | 0 | 0 | 0 | 115.1 | L24 E25 N26 L30 N31 R32 | L24-G28 PolarHBondContact O-N 3.34Å; E25-G28 WeakPolarHBondContact O-CA 3.35Å; E25-G28 PolarHBondContact O-N 3.44Å; N26-G28 PolarHBondContact O-N 3.37Å; G28-L30 PolarHBondContact O-N 3.18Å; G28-N31 PolarHBondContact O-N 3.35Å; G28-R32 PolarHBondContact O-N 3.06Å |
| 29 | V | 92.3 | Very high | 88.9 | Confident | 59 Ų | 59 | 81.4 Ų | 81.4 | 36% | 0.358 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.1 | -45.7 | -178.3 | 176.7 | 0 | 0 | 0 | 0 | 111 | L24 S27 N31 R32 I33 | L24-V29 HydrophobicContact CD2-CB 4.33Å; L24-V29 HydrophobicContact CD2-CG1 4.32Å; L24-V29 PolarHBondContact O-N 3.49Å; L24-V29 VanDerWaalsContact O-N 3.12Å; S27-V29 PolarHBondContact O-N 3.49Å; S27-V29 VanDerWaalsContact O-N 3.13Å; V29-N31 VanDerWaalsContact C-N 3.33Å; V29-N31 PolarHBondContact O-N 3.1Å; V29-R32 PolarHBondContact O-N 3.07Å; V29-I33 HydrophobicContact CG1-CD1 3.97Å; V29-I33 WeakPolarHBondContact O-CG1 3.39Å; V29-I33 PolarHBondContact O-N 3.37Å |
| 30 | L | 88.1 | Confident | 88.5 | Confident | 42 Ų | 42 | 79.3 Ų | 79.3 | 22% | 0.22 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -67.2 | -36.9 | 178.9 | -163.3 | 67.8 | 0 | 0 | 0 | 111.6 | V21 L24 E25 G28 I33 K34 | V21-L30 HydrophobicContact CG1-CD2 4.26Å; L24-L30 HydrophobicContact CB-CB 4.01Å; L24-L30 PolarHBondContact O-N 2.89Å; E25-L30 HydrophobicContact CG-CB 4.02Å; E25-L30 HydrophobicContact CG-CD2 3.53Å; E25-L30 HydrophobicContact CG-CG 4.35Å; G28-L30 PolarHBondContact O-N 3.18Å; L30-I33 PolarHBondContact O-N 3.38Å; L30-K34 HydrophobicContact CG-CD 4.32Å; L30-K34 WeakPolarHBondContact O-CB 3.39Å; L30-K34 VanDerWaalsContact O-CG 3.23Å; L30-K34 WeakPolarHBondContact O-CG 3.36Å; L30-K34 PolarHBondContact O-N 3.36Å |
| 31 | N | 84 | Confident | 88.1 | Confident | 82 Ų | 82 | 78.7 Ų | 78.7 | 44% | 0.439 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67.5 | -36.8 | 176.6 | -68.4 | -31.7 | 0 | 0 | 0 | 111.8 | G28 V29 K34 A35 | G28-N31 PolarHBondContact O-N 3.35Å; V29-N31 VanDerWaalsContact C-N 3.33Å; V29-N31 PolarHBondContact O-N 3.1Å; N31-K34 PolarHBondContact O-N 3.34Å; N31-A35 WeakPolarHBondContact O-CB 3.5Å; N31-A35 PolarHBondContact O-N 3.47Å |
| 32 | R | 85.8 | Confident | 87.4 | Confident | 144 Ų | 144 | 79.1 Ų | 79.1 | 54% | 0.543 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63 | -47.2 | 171.9 | -164 | -174.8 | 79.3 | -176.2 | 2.5 | 111.5 | G28 V29 A35 E36 F89 | G28-R32 PolarHBondContact O-N 3.06Å; V29-R32 PolarHBondContact O-N 3.07Å; R32-A35 PolarHBondContact O-N 3.25Å; R32-E36 VanDerWaalsContact O-CB 3.29Å; R32-E36 WeakPolarHBondContact O-CB 3.45Å; R32-E36 PolarHBondContact O-N 3.25Å; R32-F89 HydrophobicContact CG-CD2 3.82Å; R32-F89 HydrophobicContact CG-CE2 3.69Å |
| 33 | I | 91.2 | Very high | 86.7 | Confident | 71 Ų | 71 | 78.2 Ų | 78.2 | 36% | 0.364 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.8 | -42.7 | 177.5 | -65.7 | 165.7 | 0 | 0 | 0 | 111 | V29 L30 A35 E36 L37 | V29-I33 HydrophobicContact CG1-CD1 3.97Å; V29-I33 WeakPolarHBondContact O-CG1 3.39Å; V29-I33 PolarHBondContact O-N 3.37Å; L30-I33 PolarHBondContact O-N 3.38Å; I33-A35 VanDerWaalsContact C-N 3.32Å; I33-A35 PolarHBondContact O-N 2.98Å; I33-E36 PolarHBondContact O-N 3.28Å; I33-L37 HydrophobicContact CG2-CD1 4.04Å; I33-L37 HydrophobicContact CG2-CG 4.39Å; I33-L37 WeakPolarHBondContact O-CB 3.47Å; I33-L37 WeakPolarHBondContact O-CG 3.34Å; I33-L37 PolarHBondContact O-N 2.85Å |
| 34 | K | 85.8 | Confident | 86.1 | Confident | 88 Ų | 88 | 77.3 Ų | 77.3 | 38% | 0.383 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -58.9 | -41.9 | 173.8 | -74.5 | 168.7 | 179.8 | 173.3 | 0 | 111.4 | E25 L30 N31 R38 | E25-K34 IonicContact OE1-NZ 3.55Å; E25-K34 PolarHBondContact OE1-NZ 2.91Å; L30-K34 HydrophobicContact CG-CD 4.32Å; L30-K34 WeakPolarHBondContact O-CB 3.39Å; L30-K34 VanDerWaalsContact O-CG 3.23Å; L30-K34 WeakPolarHBondContact O-CG 3.36Å; L30-K34 PolarHBondContact O-N 3.36Å; N31-K34 PolarHBondContact O-N 3.34Å; K34-R38 VanDerWaalsContact O-CG 3.3Å; K34-R38 WeakPolarHBondContact O-CG 3.45Å; K34-R38 PolarHBondContact O-N 3.45Å |
| 35 | A | 83.2 | Confident | 85.3 | Confident | 25 Ų | 25 | 79.4 Ų | 79.4 | 21% | 0.207 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -70.1 | -41.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | N31 R32 I33 R38 A39 F89 | N31-A35 WeakPolarHBondContact O-CB 3.5Å; N31-A35 PolarHBondContact O-N 3.47Å; R32-A35 PolarHBondContact O-N 3.25Å; I33-A35 VanDerWaalsContact C-N 3.32Å; I33-A35 PolarHBondContact O-N 2.98Å; A35-R38 PolarHBondContact O-N 3.25Å; A35-A39 WeakPolarHBondContact O-CB 3.49Å; A35-A39 PolarHBondContact O-N 3.37Å; A35-F89 HydrophobicContact CB-CB 4.11Å |
| 36 | E | 86.1 | Confident | 84.3 | Confident | 83 Ų | 83 | 78.6 Ų | 78.6 | 39% | 0.388 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 175.4 | 179.7 | 169.6 | -168.5 | 0 | 0 | 111.6 | R32 I33 A39 A40 F89 | R32-E36 VanDerWaalsContact O-CB 3.29Å; R32-E36 WeakPolarHBondContact O-CB 3.45Å; R32-E36 PolarHBondContact O-N 3.25Å; I33-E36 PolarHBondContact O-N 3.28Å; E36-A39 PolarHBondContact O-N 2.76Å; E36-A40 VanDerWaalsContact O-CB 3.29Å; E36-A40 WeakPolarHBondContact O-CB 3.33Å; E36-A40 PolarHBondContact O-N 3.41Å; E36-F89 HydrophobicContact CB-CD1 3.76Å; E36-F89 HydrophobicContact CB-CE1 3.72Å; E36-F89 HydrophobicContact CB-CG 4.25Å; E36-F89 HydrophobicContact CB-CZ 4.17Å; E36-F89 HydrophobicContact CG-CD1 3.99Å; E36-F89 HydrophobicContact CG-CE1 3.51Å; E36-F89 HydrophobicContact CG-CZ 4.05Å |
| 37 | L | 90.7 | Very high | 83.3 | Confident | 107 Ų | 107 | 79.3 Ų | 79.3 | 56% | 0.56 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -63.4 | -43.9 | 172.6 | -73.7 | 171.6 | 0 | 0 | 0 | 112.1 | I33 A39 A40 V41 | I33-L37 HydrophobicContact CG2-CD1 4.04Å; I33-L37 HydrophobicContact CG2-CG 4.39Å; I33-L37 WeakPolarHBondContact O-CB 3.47Å; I33-L37 WeakPolarHBondContact O-CG 3.34Å; I33-L37 PolarHBondContact O-N 2.85Å; L37-A39 PolarHBondContact O-N 3.45Å; L37-A40 PolarHBondContact O-N 3.44Å; L37-V41 WeakPolarHBondContact O-CB 3.31Å; L37-V41 VanDerWaalsContact O-CG2 3.26Å; L37-V41 WeakPolarHBondContact O-CG2 3.4Å; L37-V41 PolarHBondContact O-N 3.3Å |
| 38 | R | 85 | Confident | 81.8 | Confident | 185 Ų | 185 | 83.2 Ų | 83.2 | 70% | 0.698 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -59.6 | -45.4 | 174.7 | -76.9 | 175.5 | -179.9 | -162.9 | 0.1 | 111.6 | K34 A35 F42 V93 | K34-R38 VanDerWaalsContact O-CG 3.3Å; K34-R38 WeakPolarHBondContact O-CG 3.45Å; K34-R38 PolarHBondContact O-N 3.45Å; A35-R38 PolarHBondContact O-N 3.25Å; R38-F42 WeakPolarHBondContact O-CB 3.47Å; R38-F42 PolarHBondContact O-N 3.3Å; R38-V93 HydrophobicContact CB-CG2 4.19Å |
| 39 | A | 82.9 | Confident | 80.4 | Confident | 7 Ų | 7 | 85.5 Ų | 85.5 | 6% | 0.058 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -63.5 | -47 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A35 E36 L37 F42 L43 A92 V93 | A35-A39 WeakPolarHBondContact O-CB 3.49Å; A35-A39 PolarHBondContact O-N 3.37Å; E36-A39 PolarHBondContact O-N 2.76Å; L37-A39 PolarHBondContact O-N 3.45Å; A39-F42 PolarHBondContact O-N 3.41Å; A39-L43 VanDerWaalsContact O-CD1 3.26Å; A39-L43 WeakPolarHBondContact O-CD1 3.45Å; A39-L43 PolarHBondContact O-N 3.45Å; A39-A92 HydrophobicContact CB-CB 3.9Å; A39-V93 HydrophobicContact CB-CG2 4.1Å |
| 40 | A | 84.4 | Confident | 78.6 | Confident | 55 Ų | 55 | 90.7 Ų | 90.7 | 46% | 0.455 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.3 | -42.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E36 L37 F42 L43 A44 | E36-A40 VanDerWaalsContact O-CB 3.29Å; E36-A40 WeakPolarHBondContact O-CB 3.33Å; E36-A40 PolarHBondContact O-N 3.41Å; L37-A40 PolarHBondContact O-N 3.44Å; A40-F42 VanDerWaalsContact C-N 3.32Å; A40-L43 PolarHBondContact O-N 3.38Å; A40-A44 WeakPolarHBondContact O-CB 3.18Å; A40-A44 PolarHBondContact O-N 3.24Å |
| 41 | V | 86.3 | Confident | 76.9 | Confident | 87 Ų | 87 | 94.9 Ų | 94.9 | 53% | 0.527 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.8 | -41.8 | 172.8 | 170.1 | 0 | 0 | 0 | 0 | 110.5 | L37 A44 L45 | L37-V41 WeakPolarHBondContact O-CB 3.31Å; L37-V41 VanDerWaalsContact O-CG2 3.26Å; L37-V41 WeakPolarHBondContact O-CG2 3.4Å; L37-V41 PolarHBondContact O-N 3.3Å; V41-A44 PolarHBondContact O-N 3.21Å; V41-L45 HydrophobicContact CG1-CD1 4.04Å; V41-L45 WeakPolarHBondContact O-CG 3.41Å; V41-L45 PolarHBondContact O-N 3.32Å; V41-L45 VanDerWaalsContact O-N 3.09Å |
| 42 | F | 77.9 | Confident | 75.3 | Confident | 74 Ų | 74 | 96.3 Ų | 96.3 | 33% | 0.325 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64 | -50.2 | 177.8 | -161.8 | -75.4 | 0 | 0 | 0 | 112.1 | R38 A39 A40 A44 L45 E46 P96 | R38-F42 WeakPolarHBondContact O-CB 3.47Å; R38-F42 PolarHBondContact O-N 3.3Å; A39-F42 PolarHBondContact O-N 3.41Å; A40-F42 VanDerWaalsContact C-N 3.32Å; F42-A44 VanDerWaalsContact C-N 3.28Å; F42-A44 PolarHBondContact O-N 3.45Å; F42-L45 PolarHBondContact O-N 3.44Å; F42-L45 VanDerWaalsContact O-N 3.17Å; F42-E46 HydrophobicContact CD1-CB 4.44Å; F42-E46 HydrophobicContact CE1-CB 4.1Å; F42-E46 PolarHBondContact O-N 3.27Å; F42-P96 HydrophobicContact CD1-CB 3.67Å; F42-P96 HydrophobicContact CD1-CG 3.51Å; F42-P96 HydrophobicContact CD2-CB 4.48Å; F42-P96 HydrophobicContact CD2-CG 4.38Å; F42-P96 HydrophobicContact CE1-CB 3.1Å; F42-P96 HydrophobicContact CE1-CG 3.54Å; F42-P96 HydrophobicContact CE2-CB 3.99Å; F42-P96 HydrophobicContact CE2-CG 4.37Å; F42-P96 HydrophobicContact CG-CB 4.37Å; F42-P96 HydrophobicContact CG-CG 4Å; F42-P96 HydrophobicContact CZ-CB 3.3Å; F42-P96 HydrophobicContact CZ-CG 4Å |
| 43 | L | 80.1 | Confident | 73.6 | Confident | 94 Ų | 94 | 97.8 Ų | 97.8 | 49% | 0.492 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -57.7 | -40.7 | 177.9 | -95.1 | 69.8 | 0 | 0 | 0 | 112 | A39 A40 E46 E47 A92 | A39-L43 VanDerWaalsContact O-CD1 3.26Å; A39-L43 WeakPolarHBondContact O-CD1 3.45Å; A39-L43 PolarHBondContact O-N 3.45Å; A40-L43 PolarHBondContact O-N 3.38Å; L43-E46 PolarHBondContact O-N 3.44Å; L43-E47 WeakPolarHBondContact O-CB 3.38Å; L43-E47 PolarHBondContact O-N 3.09Å; L43-A92 HydrophobicContact CD1-CB 4.4Å |
| 44 | A | 80.6 | Confident | 71.7 | Confident | 55 Ų | 55 | 100.8 Ų | 100.8 | 46% | 0.455 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.5 | -39.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A40 V41 F42 Q48 | A40-A44 WeakPolarHBondContact O-CB 3.18Å; A40-A44 PolarHBondContact O-N 3.24Å; V41-A44 PolarHBondContact O-N 3.21Å; F42-A44 VanDerWaalsContact C-N 3.28Å; F42-A44 PolarHBondContact O-N 3.45Å; A44-Q48 PolarHBondContact O-N 3.13Å |
| 45 | L | 74.7 | Confident | 70 | Confident | 103 Ų | 103 | 102.8 Ų | 102.8 | 54% | 0.539 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69 | -42.3 | 175.3 | -69 | 172 | 0 | 0 | 0 | 111.6 | V41 F42 Q48 E49 | V41-L45 HydrophobicContact CG1-CD1 4.04Å; V41-L45 WeakPolarHBondContact O-CG 3.41Å; V41-L45 PolarHBondContact O-N 3.32Å; V41-L45 VanDerWaalsContact O-N 3.09Å; F42-L45 PolarHBondContact O-N 3.44Å; F42-L45 VanDerWaalsContact O-N 3.17Å; L45-Q48 PolarHBondContact O-N 3.15Å; L45-E49 WeakPolarHBondContact O-CB 3.32Å; L45-E49 PolarHBondContact O-N 3.42Å |
| 46 | E | 69.3 | Low | 68.8 | Low | 55 Ų | 55 | 105 Ų | 105 | 26% | 0.257 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.3 | -39.3 | 177.5 | -174.3 | -177.4 | -98.7 | 0 | 0 | 112.6 | F42 L43 Q48 E49 K50 | F42-E46 HydrophobicContact CD1-CB 4.44Å; F42-E46 HydrophobicContact CE1-CB 4.1Å; F42-E46 PolarHBondContact O-N 3.27Å; L43-E46 PolarHBondContact O-N 3.44Å; E46-Q48 PolarHBondContact O-N 2.93Å; E46-E49 PolarHBondContact O-N 2.97Å; E46-K50 PolarHBondContact O-N 3.33Å |
| 47 | E | 65.6 | Low | 67.5 | Low | 148 Ų | 148 | 109.5 Ų | 109.5 | 69% | 0.692 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -61.1 | -33.5 | 175.7 | -175.7 | 163.4 | -146.4 | 0 | 0 | 111.8 | L43 | L43-E47 WeakPolarHBondContact O-CB 3.38Å; L43-E47 PolarHBondContact O-N 3.09Å |
| 48 | Q | 59.3 | Low | 66.3 | Low | 153 Ų | 153 | 106.5 Ų | 106.5 | 72% | 0.715 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -83.2 | -27.9 | 177.9 | -147.4 | 151.9 | 32.1 | 0 | 0 | 112.8 | A44 L45 E46 K50 | A44-Q48 PolarHBondContact O-N 3.13Å; L45-Q48 PolarHBondContact O-N 3.15Å; E46-Q48 PolarHBondContact O-N 2.93Å; Q48-K50 VanDerWaalsContact C-N 3.32Å; Q48-K50 PolarHBondContact O-N 2.82Å |
| 49 | E | 55.2 | Low | 66.1 | Low | 78 Ų | 78 | 101.8 Ų | 101.8 | 36% | 0.364 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -73.4 | -17.5 | 178 | -163.6 | 171.3 | -152.4 | 0 | 0 | 113.6 | L45 E46 V51 E52 K54 | L45-E49 WeakPolarHBondContact O-CB 3.32Å; L45-E49 PolarHBondContact O-N 3.42Å; E46-E49 PolarHBondContact O-N 2.97Å; E49-V51 PolarHBondContact O-N 3.33Å; E49-E52 WeakPolarHBondContact CG-O 3.44Å; E49-E52 CarbonylContact O-C 3.45Å; E49-E52 PolarHBondContact O-N 3.49Å; E49-K54 WeakPolarHBondContact OE1-CB 3.38Å |
| 50 | K | 54.5 | Low | 66.2 | Low | 169 Ų | 169 | 105.7 Ų | 105.7 | 74% | 0.735 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.8 | -13.5 | 171.8 | -82 | 174.1 | -178.2 | 155.5 | 0 | 115.1 | E46 Q48 | E46-K50 PolarHBondContact O-N 3.33Å; Q48-K50 VanDerWaalsContact C-N 3.32Å; Q48-K50 PolarHBondContact O-N 2.82Å |
| 51 | V | 53.6 | Low | 66.4 | Low | 130 Ų | 130 | 107 Ų | 107 | 79% | 0.788 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | -24.6 | 178.2 | -175.5 | 0 | 0 | 0 | 0 | 112.9 | E49 | E49-V51 PolarHBondContact O-N 3.33Š|
| 52 | E | 49.4 | Very low | 66.5 | Low | 112 Ų | 112 | 105 Ų | 105 | 52% | 0.523 | 55% | 0.55 | S | S | . | * | S | Bend | trans | -130.4 | 107.6 | -179.1 | -71.9 | -164.7 | 158.2 | 0 | 0 | 111.7 | E49 K54 | E49-E52 WeakPolarHBondContact CG-O 3.44Å; E49-E52 CarbonylContact O-C 3.45Å; E49-E52 PolarHBondContact O-N 3.49Å; E52-K54 PolarHBondContact O-N 3.32Å; E52-K54 WeakPolarHBondContact OE2-CE 3.4Å; E52-K54 IonicContact OE2-NZ 2.61Å; E52-K54 PolarHBondContact OE2-NZ 2.91Å |
| 53 | N | 49.5 | Very low | 66.9 | Low | 174 Ų | 174 | 105.6 Ų | 105.6 | 93% | 0.93 | 55% | 0.552 | S | S | * | * | trans | -58.8 | 100.6 | 172.5 | -57.5 | -86.4 | 0 | 0 | 0 | 110.7 | ||||
| 54 | K | 50.9 | Low | 67.3 | Low | 134 Ų | 134 | 108.1 Ų | 108.1 | 58% | 0.583 | 56% | 0.559 | S | S | * | * | trans | -112.7 | 153.3 | 164.8 | -75.8 | 162.5 | -179.8 | 156.9 | 0 | 109 | E49 E52 | E49-K54 WeakPolarHBondContact OE1-CB 3.38Å; E52-K54 PolarHBondContact O-N 3.32Å; E52-K54 WeakPolarHBondContact OE2-CE 3.4Å; E52-K54 IonicContact OE2-NZ 2.61Å; E52-K54 PolarHBondContact OE2-NZ 2.91Å | ||
| 55 | T | 50.1 | Low | 67.8 | Low | 131 Ų | 131 | 110 Ų | 110 | 80% | 0.804 | 56% | 0.557 | S | S | * | * | trans | -70.2 | 127.4 | -175.3 | 41.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 56 | P | 58 | Low | 68.5 | Low | 72 Ų | 72 | 106 Ų | 106 | 47% | 0.468 | 54% | 0.536 | S | S | . | . | trans | -54.2 | 154.1 | 170.9 | -20.5 | 30.3 | 0 | 0 | 0 | 109.7 | V58 | P56-V58 HydrophobicContact CB-CG2 4.25Å; P56-V58 WeakPolarHBondContact O-CG2 3.24Å; P56-V58 PolarHBondContact O-N 3.27Å | ||
| 57 | L | 58.9 | Low | 69.5 | Low | 176 Ų | 176 | 108.5 Ų | 108.5 | 92% | 0.921 | 55% | 0.552 | S | S | * | * | trans | -73.1 | 65.2 | 172.4 | -165 | 75.5 | 0 | 0 | 0 | 109.6 | N59 | L57-N59 PolarHBondContact O-N 2.54Š| ||
| 58 | V | 65.5 | Low | 70.7 | Confident | 45 Ų | 45 | 104.6 Ų | 104.6 | 27% | 0.273 | 54% | 0.538 | S | S | . | . | trans | -71.6 | 114.9 | -169 | -129.6 | 0 | 0 | 0 | 0 | 109.8 | P56 E60 K63 | P56-V58 HydrophobicContact CB-CG2 4.25Å; P56-V58 WeakPolarHBondContact O-CG2 3.24Å; P56-V58 PolarHBondContact O-N 3.27Å; V58-E60 PolarHBondContact O-N 3.24Å; V58-K63 HydrophobicContact CB-CD 4.42Å; V58-K63 HydrophobicContact CG1-CB 4.23Å; V58-K63 HydrophobicContact CG1-CD 3.89Å; V58-K63 HydrophobicContact CG1-CG 4.15Å | ||
| 59 | N | 82 | Confident | 72.2 | Confident | 85 Ų | 85 | 106 Ų | 106 | 46% | 0.455 | 54% | 0.542 | S | S | . | . | trans | -65.4 | 99.8 | 162.5 | 179.8 | -21.4 | 0 | 0 | 0 | 108.4 | L57 S61 L62 K63 | L57-N59 PolarHBondContact O-N 2.54Å; N59-S61 PolarHBondContact O-N 3.02Å; N59-S61 VanDerWaalsContact O-N 3.14Å; N59-S61 WeakPolarHBondContact OD1-CB 3.29Å; N59-S61 PolarHBondContact OD1-N 2.98Å; N59-S61 VanDerWaalsContact OD1-N 3.08Å; N59-S61 PolarHBondContact OD1-OG 3.48Å; N59-L62 HydrophobicContact CB-CB 3.96Å; N59-L62 WeakPolarHBondContact O-CB 3.24Å; N59-L62 PolarHBondContact O-N 2.86Å; N59-L62 VanDerWaalsContact O-N 3.09Å; N59-L62 PolarHBondContact OD1-N 2.9Å; N59-K63 WeakPolarHBondContact O-CB 3.27Å; N59-K63 PolarHBondContact O-N 3.04Å | ||
| 60 | E | 84.4 | Confident | 73.9 | Confident | 89 Ų | 89 | 108 Ų | 108 | 42% | 0.416 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.3 | -22.5 | -176.4 | -74.7 | -64.4 | 139.1 | 0 | 0 | 113.7 | V58 K63 K64 | V58-E60 PolarHBondContact O-N 3.24Å; E60-K63 VanDerWaalsContact OE1-CD 3.25Å; E60-K63 WeakPolarHBondContact OE1-CD 3.5Å; E60-K63 IonicContact OE1-NZ 2.89Å; E60-K63 PolarHBondContact OE1-NZ 3.23Å; E60-K63 WeakPolarHBondContact OE2-CD 3.37Å; E60-K63 IonicContact OE2-NZ 3.28Å; E60-K64 WeakPolarHBondContact O-CD 3.19Å; E60-K64 VanDerWaalsContact O-CG 3.22Å; E60-K64 WeakPolarHBondContact O-CG 3.35Å; E60-K64 PolarHBondContact O-N 3.32Å |
| 61 | S | 88.1 | Confident | 75.6 | Confident | 82 Ų | 82 | 100 Ų | 100 | 57% | 0.573 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -73.3 | -46.1 | 173.2 | 75.2 | 0 | 0 | 0 | 0 | 111.2 | N59 K64 F65 | N59-S61 PolarHBondContact O-N 3.02Å; N59-S61 VanDerWaalsContact O-N 3.14Å; N59-S61 WeakPolarHBondContact OD1-CB 3.29Å; N59-S61 PolarHBondContact OD1-N 2.98Å; N59-S61 VanDerWaalsContact OD1-N 3.08Å; N59-S61 PolarHBondContact OD1-OG 3.48Å; S61-K64 PolarHBondContact O-N 3.26Å; S61-F65 PolarHBondContact O-N 3.06Å |
| 62 | L | 88.1 | Confident | 77.4 | Confident | 47 Ų | 47 | 98.6 Ų | 98.6 | 25% | 0.246 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 174.6 | 178.6 | 62.5 | 0 | 0 | 0 | 111.3 | N59 K64 F65 L66 T98 | N59-L62 HydrophobicContact CB-CB 3.96Å; N59-L62 WeakPolarHBondContact O-CB 3.24Å; N59-L62 PolarHBondContact O-N 2.86Å; N59-L62 VanDerWaalsContact O-N 3.09Å; N59-L62 PolarHBondContact OD1-N 2.9Å; L62-K64 VanDerWaalsContact C-N 3.29Å; L62-K64 PolarHBondContact O-N 3.35Å; L62-F65 HydrophobicContact CD1-CD1 4.38Å; L62-F65 CarbonylContact O-C 3.57Å; L62-F65 WeakPolarHBondContact O-CA 3.17Å; L62-F65 WeakPolarHBondContact O-CB 3.25Å; L62-F65 PolarHBondContact O-N 3.5Å; L62-L66 HydrophobicContact CD1-CD1 4.06Å; L62-L66 HydrophobicContact CD1-CD2 4.33Å; L62-L66 HydrophobicContact CD1-CG 3.91Å; L62-L66 HydrophobicContact CD2-CD1 4.39Å; L62-L66 HydrophobicContact CG-CD1 3.83Å; L62-L66 HydrophobicContact CG-CG 4.11Å; L62-L66 WeakPolarHBondContact O-CB 3.33Å; L62-L66 WeakPolarHBondContact O-CG 3.17Å; L62-L66 PolarHBondContact O-N 2.97Å; L62-T98 HydrophobicContact CD2-CG2 3.93Å |
| 63 | K | 86.3 | Confident | 79.4 | Confident | 86 Ų | 86 | 95.2 Ų | 95.2 | 37% | 0.374 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -56.9 | -40.2 | 175.4 | -169.1 | -167.5 | -164.8 | 178 | 0 | 112.5 | V58 N59 E60 N67 | V58-K63 HydrophobicContact CB-CD 4.42Å; V58-K63 HydrophobicContact CG1-CB 4.23Å; V58-K63 HydrophobicContact CG1-CD 3.89Å; V58-K63 HydrophobicContact CG1-CG 4.15Å; N59-K63 WeakPolarHBondContact O-CB 3.27Å; N59-K63 PolarHBondContact O-N 3.04Å; E60-K63 VanDerWaalsContact OE1-CD 3.25Å; E60-K63 WeakPolarHBondContact OE1-CD 3.5Å; E60-K63 IonicContact OE1-NZ 2.89Å; E60-K63 PolarHBondContact OE1-NZ 3.23Å; E60-K63 WeakPolarHBondContact OE2-CD 3.37Å; E60-K63 IonicContact OE2-NZ 3.28Å; K63-N67 PolarHBondContact O-N 3.47Å; K63-N67 PolarHBondContact O-ND2 3.04Å |
| 64 | K | 89.9 | Confident | 81.4 | Confident | 147 Ų | 147 | 90.4 Ų | 90.4 | 64% | 0.639 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -66.9 | -42.2 | 173.7 | -72.9 | 166 | -171.5 | 173.4 | 0 | 111.4 | E60 S61 L62 N67 | E60-K64 WeakPolarHBondContact O-CD 3.19Å; E60-K64 VanDerWaalsContact O-CG 3.22Å; E60-K64 WeakPolarHBondContact O-CG 3.35Å; E60-K64 PolarHBondContact O-N 3.32Å; S61-K64 PolarHBondContact O-N 3.26Å; L62-K64 VanDerWaalsContact C-N 3.29Å; L62-K64 PolarHBondContact O-N 3.35Å; K64-N67 PolarHBondContact O-N 2.8Å |
| 65 | F | 91.3 | Very high | 83.4 | Confident | 93 Ų | 93 | 84.5 Ų | 84.5 | 41% | 0.408 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.1 | -50.1 | 176.4 | -177.9 | -106.9 | 0 | 0 | 0 | 112.3 | S61 L62 N67 T68 G71 V74 | S61-F65 PolarHBondContact O-N 3.06Å; L62-F65 HydrophobicContact CD1-CD1 4.38Å; L62-F65 CarbonylContact O-C 3.57Å; L62-F65 WeakPolarHBondContact O-CA 3.17Å; L62-F65 WeakPolarHBondContact O-CB 3.25Å; L62-F65 PolarHBondContact O-N 3.5Å; F65-N67 PolarHBondContact O-N 3.06Å; F65-N67 VanDerWaalsContact O-N 3.16Å; F65-T68 WeakPolarHBondContact O-CB 3.2Å; F65-T68 PolarHBondContact O-N 3.24Å; F65-T68 PolarHBondContact O-OG1 2.9Å; F65-G71 VanDerWaalsContact CZ-CA 3.48Å; F65-V74 HydrophobicContact CE1-CB 4.22Å; F65-V74 HydrophobicContact CE1-CG1 4.22Å; F65-V74 HydrophobicContact CZ-CB 4.13Å; F65-V74 HydrophobicContact CZ-CG1 4.22Å; F65-V74 HydrophobicContact CZ-CG2 4.4Å |
| 66 | L | 89.7 | Confident | 85.4 | Confident | 19 Ų | 19 | 78.3 Ų | 78.3 | 10% | 0.099 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -65 | -13.9 | 177 | -65.8 | 178 | 0 | 0 | 0 | 114 | L62 T68 R72 A75 T98 T100 | L62-L66 HydrophobicContact CD1-CD1 4.06Å; L62-L66 HydrophobicContact CD1-CD2 4.33Å; L62-L66 HydrophobicContact CD1-CG 3.91Å; L62-L66 HydrophobicContact CD2-CD1 4.39Å; L62-L66 HydrophobicContact CG-CD1 3.83Å; L62-L66 HydrophobicContact CG-CG 4.11Å; L62-L66 WeakPolarHBondContact O-CB 3.33Å; L62-L66 WeakPolarHBondContact O-CG 3.17Å; L62-L66 PolarHBondContact O-N 2.97Å; L66-T68 VanDerWaalsContact C-N 3.32Å; L66-R72 WeakPolarHBondContact O-CG 3.34Å; L66-R72 PolarHBondContact O-NE 3.26Å; L66-R72 PolarHBondContact O-NH1 2.84Å; L66-R72 PolarHBondContact O-NH2 3.26Å; L66-A75 HydrophobicContact CD2-CB 3.39Å; L66-T98 WeakPolarHBondContact CD1-O 3.38Å; L66-T100 HydrophobicContact CD1-CG2 3.89Å |
| 67 | N | 88.8 | Confident | 87.1 | Confident | 108 Ų | 108 | 75.4 Ų | 75.4 | 58% | 0.578 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -76.6 | -21.1 | 170.3 | -85.3 | -54.8 | 0 | 0 | 0 | 112.8 | K63 K64 F65 R72 | K63-N67 PolarHBondContact O-N 3.47Å; K63-N67 PolarHBondContact O-ND2 3.04Å; K64-N67 PolarHBondContact O-N 2.8Å; F65-N67 PolarHBondContact O-N 3.06Å; F65-N67 VanDerWaalsContact O-N 3.16Å; N67-R72 PolarHBondContact O-NH2 2.88Å |
| 68 | T | 91.8 | Very high | 88.8 | Confident | 66 Ų | 66 | 69.6 Ų | 69.6 | 41% | 0.405 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -76.5 | 159.1 | 172.8 | 74.6 | 0 | 0 | 0 | 0 | 111.4 | F65 L66 G71 R72 | F65-T68 WeakPolarHBondContact O-CB 3.2Å; F65-T68 PolarHBondContact O-N 3.24Å; F65-T68 PolarHBondContact O-OG1 2.9Å; L66-T68 VanDerWaalsContact C-N 3.32Å; T68-G71 WeakPolarHBondContact OG1-CA 3.34Å; T68-G71 PolarHBondContact OG1-N 3.31Å; T68-R72 PolarHBondContact O-N 3.18Å |
| 69 | K | 90.3 | Very high | 90.1 | Very high | 182 Ų | 182 | 68 Ų | 68 | 79% | 0.791 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -68.4 | -50.4 | 175.2 | -68.3 | -174 | 176.8 | -174.7 | 0 | 110.9 | G71 R72 L73 | K69-G71 VanDerWaalsContact C-N 3.25Å; K69-G71 PolarHBondContact O-N 3.35Å; K69-R72 PolarHBondContact O-N 2.97Å; K69-L73 PolarHBondContact O-N 3.35Å |
| 70 | D | 89.9 | Confident | 90.7 | Very high | 121 Ų | 121 | 64.3 Ų | 64.3 | 65% | 0.647 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -61.8 | -35.8 | -178.7 | -51.4 | -6.3 | 0 | 0 | 0 | 111.3 | L73 V74 | D70-L73 WeakPolarHBondContact O-CB 3.47Å; D70-L73 PolarHBondContact O-N 2.89Å; D70-V74 WeakPolarHBondContact O-CG2 3.44Å; D70-V74 PolarHBondContact O-N 3.41Å |
| 71 | G | 91.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -69.1 | -36.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | F65 T68 K69 A75 | F65-G71 VanDerWaalsContact CZ-CA 3.48Å; T68-G71 WeakPolarHBondContact OG1-CA 3.34Å; T68-G71 PolarHBondContact OG1-N 3.31Å; K69-G71 VanDerWaalsContact C-N 3.25Å; K69-G71 PolarHBondContact O-N 3.35Å; G71-A75 WeakPolarHBondContact O-CB 3.23Å; G71-A75 PolarHBondContact O-N 3.26Å |
| 72 | R | 90.6 | Very high | 91.5 | Very high | 101 Ų | 101 | 60.3 Ų | 60.3 | 38% | 0.381 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.1 | -49.8 | 167.9 | -68.2 | 176.7 | -134.6 | -97.8 | -4.1 | 110.4 | L66 N67 T68 K69 V74 A75 S76 | L66-R72 WeakPolarHBondContact O-CG 3.34Å; L66-R72 PolarHBondContact O-NE 3.26Å; L66-R72 PolarHBondContact O-NH1 2.84Å; L66-R72 PolarHBondContact O-NH2 3.26Å; N67-R72 PolarHBondContact O-NH2 2.88Å; T68-R72 PolarHBondContact O-N 3.18Å; K69-R72 PolarHBondContact O-N 2.97Å; R72-V74 VanDerWaalsContact C-N 3.27Å; R72-V74 PolarHBondContact O-N 3.38Å; R72-A75 PolarHBondContact O-N 2.88Å; R72-S76 WeakPolarHBondContact O-CB 3.36Å; R72-S76 PolarHBondContact O-N 2.97Å; R72-S76 PolarHBondContact O-OG 2.95Å |
| 73 | L | 91.4 | Very high | 91.7 | Very high | 42 Ų | 42 | 63.9 Ų | 63.9 | 22% | 0.22 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -54.6 | -42.2 | 179.8 | -177.3 | 61.9 | 0 | 0 | 0 | 112.2 | K69 D70 L77 L110 D113 L114 | K69-L73 PolarHBondContact O-N 3.35Å; D70-L73 WeakPolarHBondContact O-CB 3.47Å; D70-L73 PolarHBondContact O-N 2.89Å; L73-L77 WeakPolarHBondContact O-CB 3.26Å; L73-L77 VanDerWaalsContact O-CG 3.31Å; L73-L77 WeakPolarHBondContact O-CG 3.45Å; L73-L77 PolarHBondContact O-N 3.13Å; L73-L110 HydrophobicContact CD1-CD2 3.67Å; L73-D113 HydrophobicContact CD1-CB 4.48Å; L73-L114 HydrophobicContact CD1-CD1 4.44Å; L73-L114 HydrophobicContact CD1-CD2 4.28Å; L73-L114 HydrophobicContact CD1-CG 4.16Å; L73-L114 HydrophobicContact CD2-CD2 3.96Å; L73-L114 HydrophobicContact CG-CD2 4.39Å |
| 74 | V | 93.3 | Very high | 92 | Very high | 73 Ų | 73 | 63.1 Ų | 63.1 | 44% | 0.442 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.5 | -48 | 174 | 168.9 | 0 | 0 | 0 | 0 | 112 | F65 D70 R72 S76 L77 V78 | F65-V74 HydrophobicContact CE1-CB 4.22Å; F65-V74 HydrophobicContact CE1-CG1 4.22Å; F65-V74 HydrophobicContact CZ-CB 4.13Å; F65-V74 HydrophobicContact CZ-CG1 4.22Å; F65-V74 HydrophobicContact CZ-CG2 4.4Å; D70-V74 WeakPolarHBondContact O-CG2 3.44Å; D70-V74 PolarHBondContact O-N 3.41Å; R72-V74 VanDerWaalsContact C-N 3.27Å; R72-V74 PolarHBondContact O-N 3.38Å; V74-S76 PolarHBondContact O-N 3.33Å; V74-L77 PolarHBondContact O-N 3.12Å; V74-V78 WeakPolarHBondContact O-CG2 3.28Å; V74-V78 PolarHBondContact O-N 3.49Å |
| 75 | A | 92.6 | Very high | 92.2 | Very high | 9 Ų | 9 | 61.1 Ų | 61.1 | 7% | 0.074 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.1 | -40.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L66 G71 R72 V78 A79 L104 | L66-A75 HydrophobicContact CD2-CB 3.39Å; G71-A75 WeakPolarHBondContact O-CB 3.23Å; G71-A75 PolarHBondContact O-N 3.26Å; R72-A75 PolarHBondContact O-N 2.88Å; A75-V78 PolarHBondContact O-N 3.46Å; A75-A79 PolarHBondContact O-N 3.28Å; A75-L104 HydrophobicContact CB-CD2 4.2Å |
| 76 | S | 92.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.007 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68.5 | -36.2 | 176.4 | -58.5 | 0 | 0 | 0 | 0 | 112.1 | R72 V74 V78 A79 E80 L104 E105 L110 | R72-S76 WeakPolarHBondContact O-CB 3.36Å; R72-S76 PolarHBondContact O-N 2.97Å; R72-S76 PolarHBondContact O-OG 2.95Å; V74-S76 PolarHBondContact O-N 3.33Å; S76-V78 VanDerWaalsContact C-N 3.34Å; S76-V78 PolarHBondContact O-N 2.93Å; S76-A79 PolarHBondContact O-N 2.74Å; S76-E80 WeakPolarHBondContact O-CB 3.41Å; S76-E80 PolarHBondContact O-N 3.24Å; S76-L104 WeakPolarHBondContact OG-CB 3.46Å; S76-L104 WeakPolarHBondContact OG-CD2 3.5Å; S76-E105 WeakPolarHBondContact CB-OE2 3.38Å; S76-E105 PolarHBondContact OG-N 2.86Å; S76-E105 PolarHBondContact OG-OE2 3.05Å; S76-L110 VanDerWaalsContact CB-CD2 3.45Å; S76-L110 WeakPolarHBondContact O-CD1 3.47Å |
| 77 | L | 93.8 | Very high | 92.2 | Very high | 12 Ų | 12 | 64.8 Ų | 64.8 | 6% | 0.063 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.1 | -38 | 169 | -85 | 172 | 0 | 0 | 0 | 112.9 | L73 V74 F81 L114 L127 V131 | L73-L77 WeakPolarHBondContact O-CB 3.26Å; L73-L77 VanDerWaalsContact O-CG 3.31Å; L73-L77 WeakPolarHBondContact O-CG 3.45Å; L73-L77 PolarHBondContact O-N 3.13Å; V74-L77 PolarHBondContact O-N 3.12Å; L77-F81 WeakPolarHBondContact O-CB 3.21Å; L77-F81 PolarHBondContact O-N 2.93Å; L77-L114 HydrophobicContact CD1-CD1 4.11Å; L77-L114 HydrophobicContact CD2-CD1 3.8Å; L77-L114 HydrophobicContact CG-CD1 4.25Å; L77-L127 HydrophobicContact CD2-CB 3.67Å; L77-V131 HydrophobicContact CD1-CG2 4.26Å; L77-V131 HydrophobicContact CD2-CG2 4.49Å |
| 78 | V | 94.7 | Very high | 92.1 | Very high | 54 Ų | 54 | 64.1 Ų | 64.1 | 33% | 0.327 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68.1 | -44.1 | 174.4 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | V74 A75 S76 E80 F81 L82 F94 | V74-V78 WeakPolarHBondContact O-CG2 3.28Å; V74-V78 PolarHBondContact O-N 3.49Å; A75-V78 PolarHBondContact O-N 3.46Å; S76-V78 VanDerWaalsContact C-N 3.34Å; S76-V78 PolarHBondContact O-N 2.93Å; V78-E80 PolarHBondContact O-N 3.46Å; V78-F81 WeakPolarHBondContact O-CB 3.34Å; V78-F81 PolarHBondContact O-N 2.67Å; V78-L82 WeakPolarHBondContact O-CG 3.3Å; V78-L82 PolarHBondContact O-N 2.7Å; V78-F94 HydrophobicContact CB-CZ 4.21Å; V78-F94 HydrophobicContact CG1-CE2 3.86Å; V78-F94 HydrophobicContact CG1-CZ 3.81Å |
| 79 | A | 92.4 | Very high | 91.9 | Very high | 10 Ų | 10 | 64.4 Ų | 64.4 | 8% | 0.083 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.8 | -40.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A75 S76 L82 Q83 L91 F94 L104 | A75-A79 PolarHBondContact O-N 3.28Å; S76-A79 PolarHBondContact O-N 2.74Å; A79-L82 PolarHBondContact O-N 2.88Å; A79-Q83 WeakPolarHBondContact O-CB 3.39Å; A79-Q83 PolarHBondContact O-N 3.01Å; A79-L91 HydrophobicContact CB-CD1 4.29Å; A79-F94 HydrophobicContact CB-CE1 4.06Å; A79-L104 HydrophobicContact CB-CB 4.48Å; A79-L104 HydrophobicContact CB-CD1 3.53Å |
| 80 | E | 94 | Very high | 91.8 | Very high | 8 Ų | 8 | 59 Ų | 59 | 4% | 0.037 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.6 | -41.4 | 174.7 | -168.5 | -80.8 | 150.2 | 0 | 0 | 111.4 | S76 V78 Q83 F84 R107 L110 P126 L127 | S76-E80 WeakPolarHBondContact O-CB 3.41Å; S76-E80 PolarHBondContact O-N 3.24Å; V78-E80 PolarHBondContact O-N 3.46Å; E80-Q83 PolarHBondContact O-N 3.37Å; E80-F84 VanDerWaalsContact O-CB 3.28Å; E80-F84 WeakPolarHBondContact O-CB 3.29Å; E80-F84 PolarHBondContact O-N 3.35Å; E80-R107 HydrophobicContact CG-CB 3.94Å; E80-R107 HydrophobicContact CG-CG 3.91Å; E80-R107 WeakPolarHBondContact OE1-CD 3.2Å; E80-R107 IonicContact OE1-CZ 3.25Å; E80-R107 IonicContact OE1-NE 3.66Å; E80-R107 IonicContact OE1-NH1 3.81Å; E80-R107 PolarHBondContact OE1-NH1 3.28Å; E80-L110 HydrophobicContact CB-CD1 3.93Å; E80-L110 HydrophobicContact CG-CD1 4.33Å; E80-P126 WeakPolarHBondContact OE2-CA 3.36Å; E80-L127 HydrophobicContact CG-CD1 4.34Å; E80-L127 HydrophobicContact CG-CG 4.46Å; E80-L127 PolarHBondContact OE2-N 3.19Å |
| 81 | F | 94.9 | Very high | 91.7 | Very high | 73 Ų | 73 | 54.4 Ų | 54.4 | 32% | 0.32 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.2 | -45.6 | 172.8 | 173.8 | -81.6 | 0 | 0 | 0 | 112.2 | L77 V78 Q83 F84 F85 L87 P126 L128 | L77-F81 WeakPolarHBondContact O-CB 3.21Å; L77-F81 PolarHBondContact O-N 2.93Å; V78-F81 WeakPolarHBondContact O-CB 3.34Å; V78-F81 PolarHBondContact O-N 2.67Å; F81-Q83 VanDerWaalsContact C-N 3.33Å; F81-Q83 PolarHBondContact O-N 2.87Å; F81-F84 PolarHBondContact O-N 2.93Å; F81-F85 HydrophobicContact CD1-CD2 4.35Å; F81-F85 HydrophobicContact CD2-CD2 4.11Å; F81-F85 AromaticContact CD2-CE2 3.89Å; F81-F85 HydrophobicContact CD2-CE2 3.89Å; F81-F85 HydrophobicContact CE1-CD2 4.05Å; F81-F85 HydrophobicContact CE1-CE2 4.49Å; F81-F85 AromaticContact CE2-CD2 3.83Å; F81-F85 HydrophobicContact CE2-CD2 3.83Å; F81-F85 AromaticContact CE2-CE2 3.45Å; F81-F85 HydrophobicContact CE2-CE2 3.45Å; F81-F85 VanDerWaalsContact CE2-CE2 3.45Å; F81-F85 HydrophobicContact CG-CD2 4.36Å; F81-F85 AromaticContact CZ-CD2 3.78Å; F81-F85 HydrophobicContact CZ-CD2 3.78Å; F81-F85 AromaticContact CZ-CE2 3.78Å; F81-F85 HydrophobicContact CZ-CE2 3.78Å; F81-F85 WeakPolarHBondContact O-CD2 3.26Å; F81-F85 PolarHBondContact O-N 3.02Å; F81-L87 HydrophobicContact CE1-CD1 4.48Å; F81-P126 HydrophobicContact CB-CB 4.33Å; F81-P126 HydrophobicContact CD2-CB 3.99Å; F81-P126 HydrophobicContact CD2-CG 3.81Å; F81-P126 HydrophobicContact CE2-CG 4.33Å; F81-L128 HydrophobicContact CD2-CD2 4.28Å |
| 82 | L | 93.8 | Very high | 91.4 | Very high | 15 Ų | 15 | 55.8 Ų | 55.8 | 8% | 0.079 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 177.1 | -66.4 | 178.4 | 0 | 0 | 0 | 111.3 | V78 A79 N86 L87 T90 L91 F94 | V78-L82 WeakPolarHBondContact O-CG 3.3Å; V78-L82 PolarHBondContact O-N 2.7Å; A79-L82 PolarHBondContact O-N 2.88Å; L82-N86 PolarHBondContact O-N 3Å; L82-L87 HydrophobicContact CB-CB 4.35Å; L82-L87 HydrophobicContact CD2-CB 4.1Å; L82-L87 HydrophobicContact CD2-CD1 3.69Å; L82-L87 WeakPolarHBondContact O-CB 3.33Å; L82-L87 PolarHBondContact O-N 3.13Å; L82-T90 HydrophobicContact CD1-CG2 4.09Å; L82-T90 HydrophobicContact CD2-CG2 3.86Å; L82-L91 HydrophobicContact CB-CB 4.48Å; L82-L91 HydrophobicContact CB-CD1 4.41Å; L82-L91 HydrophobicContact CD1-CD1 4.35Å; L82-F94 HydrophobicContact CD1-CB 4.07Å; L82-F94 HydrophobicContact CD1-CD1 4.27Å; L82-F94 HydrophobicContact CD1-CD2 4.33Å; L82-F94 HydrophobicContact CD1-CG 3.98Å |
| 83 | Q | 92.1 | Very high | 91.1 | Very high | 122 Ų | 122 | 52.6 Ų | 52.6 | 57% | 0.57 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -67.1 | -41.8 | 178.2 | -170.9 | 176.1 | 27.5 | 0 | 0 | 112.2 | A79 E80 F81 F85 N86 L91 | A79-Q83 WeakPolarHBondContact O-CB 3.39Å; A79-Q83 PolarHBondContact O-N 3.01Å; E80-Q83 PolarHBondContact O-N 3.37Å; F81-Q83 VanDerWaalsContact C-N 3.33Å; F81-Q83 PolarHBondContact O-N 2.87Å; Q83-F85 VanDerWaalsContact C-N 3.26Å; Q83-F85 PolarHBondContact O-N 3.46Å; Q83-N86 PolarHBondContact O-N 3.25Å; Q83-N86 VanDerWaalsContact O-N 3.15Å; Q83-L91 HydrophobicContact CB-CD2 4.44Å |
| 84 | F | 93.1 | Very high | 91 | Very high | 69 Ų | 69 | 52.5 Ų | 52.5 | 30% | 0.303 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61 | -34.3 | 179.5 | -175.4 | -88 | 0 | 0 | 0 | 112.6 | E80 F81 G125 P126 | E80-F84 VanDerWaalsContact O-CB 3.28Å; E80-F84 WeakPolarHBondContact O-CB 3.29Å; E80-F84 PolarHBondContact O-N 3.35Å; F81-F84 PolarHBondContact O-N 2.93Å; F84-G125 VanDerWaalsContact CE2-C 3.44Å; F84-G125 WeakPolarHBondContact CE2-O 3.41Å; F84-G125 VanDerWaalsContact CZ-C 3.43Å; F84-P126 HydrophobicContact CB-CB 4.14Å; F84-P126 HydrophobicContact CD1-CB 4.18Å; F84-P126 HydrophobicContact CD1-CG 4.38Å; F84-P126 HydrophobicContact CG-CB 4.07Å |
| 85 | F | 93.8 | Very high | 90.6 | Very high | 106 Ų | 106 | 53.5 Ų | 53.5 | 47% | 0.465 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 11.9 | 177.8 | -72.2 | -65.6 | 0 | 0 | 0 | 114.6 | F81 Q83 L87 P126 | F81-F85 HydrophobicContact CD1-CD2 4.35Å; F81-F85 HydrophobicContact CD2-CD2 4.11Å; F81-F85 AromaticContact CD2-CE2 3.89Å; F81-F85 HydrophobicContact CD2-CE2 3.89Å; F81-F85 HydrophobicContact CE1-CD2 4.05Å; F81-F85 HydrophobicContact CE1-CE2 4.49Å; F81-F85 AromaticContact CE2-CD2 3.83Å; F81-F85 HydrophobicContact CE2-CD2 3.83Å; F81-F85 AromaticContact CE2-CE2 3.45Å; F81-F85 HydrophobicContact CE2-CE2 3.45Å; F81-F85 VanDerWaalsContact CE2-CE2 3.45Å; F81-F85 HydrophobicContact CG-CD2 4.36Å; F81-F85 AromaticContact CZ-CD2 3.78Å; F81-F85 HydrophobicContact CZ-CD2 3.78Å; F81-F85 AromaticContact CZ-CE2 3.78Å; F81-F85 HydrophobicContact CZ-CE2 3.78Å; F81-F85 WeakPolarHBondContact O-CD2 3.26Å; F81-F85 PolarHBondContact O-N 3.02Å; Q83-F85 VanDerWaalsContact C-N 3.26Å; Q83-F85 PolarHBondContact O-N 3.46Å; F85-L87 HydrophobicContact CB-CD1 4.23Å; F85-L87 HydrophobicContact CB-CG 4Å; F85-L87 PolarHBondContact O-N 3.31Å; F85-P126 HydrophobicContact CE2-CG 3.94Å; F85-P126 HydrophobicContact CZ-CG 4.45Å |
| 86 | N | 91.6 | Very high | 89.8 | Confident | 121 Ų | 121 | 54 Ų | 54 | 65% | 0.647 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 39.5 | -179.2 | -55.3 | 111.5 | 0 | 0 | 0 | 113.3 | L82 Q83 D88 | L82-N86 PolarHBondContact O-N 3Å; Q83-N86 PolarHBondContact O-N 3.25Å; Q83-N86 VanDerWaalsContact O-N 3.15Å; N86-D88 PolarHBondContact O-N 3.38Å |
| 87 | L | 89.9 | Confident | 89.3 | Confident | 68 Ų | 68 | 60.3 Ų | 60.3 | 36% | 0.356 | 31% | 0.306 | S | S | . | . | trans | -82.8 | 52.3 | 177.2 | -60.2 | 178.3 | 0 | 0 | 0 | 110.5 | F81 L82 F85 F89 T90 L91 | F81-L87 HydrophobicContact CE1-CD1 4.48Å; L82-L87 HydrophobicContact CB-CB 4.35Å; L82-L87 HydrophobicContact CD2-CB 4.1Å; L82-L87 HydrophobicContact CD2-CD1 3.69Å; L82-L87 WeakPolarHBondContact O-CB 3.33Å; L82-L87 PolarHBondContact O-N 3.13Å; F85-L87 HydrophobicContact CB-CD1 4.23Å; F85-L87 HydrophobicContact CB-CG 4Å; F85-L87 PolarHBondContact O-N 3.31Å; L87-F89 VanDerWaalsContact C-N 3.32Å; L87-F89 PolarHBondContact O-N 3.29Å; L87-T90 WeakPolarHBondContact O-CA 3.36Å; L87-T90 WeakPolarHBondContact O-CB 3.33Å; L87-T90 PolarHBondContact O-N 3.27Å; L87-L91 PolarHBondContact O-N 3.36Å | ||
| 88 | D | 86.8 | Confident | 88.7 | Confident | 94 Ų | 94 | 60.4 Ų | 60.4 | 50% | 0.503 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.1 | -39.1 | -165.7 | -58 | -34.4 | 0 | 0 | 0 | 112.5 | N86 L91 A92 | N86-D88 PolarHBondContact O-N 3.38Å; D88-L91 PolarHBondContact O-N 3.05Å; D88-A92 VanDerWaalsContact O-CB 3.31Å; D88-A92 WeakPolarHBondContact O-CB 3.33Å; D88-A92 PolarHBondContact O-N 2.95Å |
| 89 | F | 87 | Confident | 87.8 | Confident | 72 Ų | 72 | 59.9 Ų | 59.9 | 32% | 0.316 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.6 | -38.5 | 175 | -54.7 | -61.3 | 0 | 0 | 0 | 112.7 | R32 A35 E36 L87 V93 | R32-F89 HydrophobicContact CG-CD2 3.82Å; R32-F89 HydrophobicContact CG-CE2 3.69Å; A35-F89 HydrophobicContact CB-CB 4.11Å; E36-F89 HydrophobicContact CB-CD1 3.76Å; E36-F89 HydrophobicContact CB-CE1 3.72Å; E36-F89 HydrophobicContact CB-CG 4.25Å; E36-F89 HydrophobicContact CB-CZ 4.17Å; E36-F89 HydrophobicContact CG-CD1 3.99Å; E36-F89 HydrophobicContact CG-CE1 3.51Å; E36-F89 HydrophobicContact CG-CZ 4.05Å; L87-F89 VanDerWaalsContact C-N 3.32Å; L87-F89 PolarHBondContact O-N 3.29Å; F89-V93 PolarHBondContact O-N 3.34Å |
| 90 | T | 88.7 | Confident | 86.6 | Confident | 69 Ų | 69 | 60.1 Ų | 60.1 | 42% | 0.423 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -69.4 | -40.7 | 175.7 | -52.6 | 0 | 0 | 0 | 0 | 110.3 | L82 L87 V93 F94 | L82-T90 HydrophobicContact CD1-CG2 4.09Å; L82-T90 HydrophobicContact CD2-CG2 3.86Å; L87-T90 WeakPolarHBondContact O-CA 3.36Å; L87-T90 WeakPolarHBondContact O-CB 3.33Å; L87-T90 PolarHBondContact O-N 3.27Å; T90-V93 PolarHBondContact O-N 3.43Å; T90-F94 WeakPolarHBondContact O-CB 3.4Å; T90-F94 PolarHBondContact O-N 3.21Å |
| 91 | L | 88.8 | Confident | 84.9 | Confident | 23 Ų | 23 | 65.7 Ų | 65.7 | 12% | 0.12 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 176.7 | -174.2 | 62 | 0 | 0 | 0 | 112 | A79 L82 Q83 L87 D88 V93 F94 Q95 | A79-L91 HydrophobicContact CB-CD1 4.29Å; L82-L91 HydrophobicContact CB-CB 4.48Å; L82-L91 HydrophobicContact CB-CD1 4.41Å; L82-L91 HydrophobicContact CD1-CD1 4.35Å; Q83-L91 HydrophobicContact CB-CD2 4.44Å; L87-L91 PolarHBondContact O-N 3.36Å; D88-L91 PolarHBondContact O-N 3.05Å; L91-V93 VanDerWaalsContact C-N 3.28Å; L91-V93 PolarHBondContact O-N 3Å; L91-F94 HydrophobicContact CD1-CD1 4.47Å; L91-F94 PolarHBondContact O-N 2.81Å; L91-Q95 HydrophobicContact CD1-CG 4.12Å; L91-Q95 HydrophobicContact CG-CG 4.46Å; L91-Q95 WeakPolarHBondContact O-CG 3.45Å; L91-Q95 PolarHBondContact O-N 3.23Å |
| 92 | A | 83.6 | Confident | 83.2 | Confident | 29 Ų | 29 | 71.5 Ų | 71.5 | 24% | 0.24 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.7 | -24.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | A39 L43 D88 P96 | A39-A92 HydrophobicContact CB-CB 3.9Å; L43-A92 HydrophobicContact CD1-CB 4.4Å; D88-A92 VanDerWaalsContact O-CB 3.31Å; D88-A92 WeakPolarHBondContact O-CB 3.33Å; D88-A92 PolarHBondContact O-N 2.95Å; A92-P96 WeakPolarHBondContact O-CD 3.26Å; A92-P96 VanDerWaalsContact O-CG 3.24Å; A92-P96 WeakPolarHBondContact O-CG 3.3Å |
| 93 | V | 85.5 | Confident | 81.9 | Confident | 35 Ų | 35 | 73.3 Ų | 73.3 | 21% | 0.212 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -88.2 | -38.8 | 169.9 | 178.7 | 0 | 0 | 0 | 0 | 111 | R38 A39 F89 T90 L91 P96 E97 | R38-V93 HydrophobicContact CB-CG2 4.19Å; A39-V93 HydrophobicContact CB-CG2 4.1Å; F89-V93 PolarHBondContact O-N 3.34Å; T90-V93 PolarHBondContact O-N 3.43Å; L91-V93 VanDerWaalsContact C-N 3.28Å; L91-V93 PolarHBondContact O-N 3Å; V93-P96 VanDerWaalsContact O-CD 3.27Å; V93-P96 WeakPolarHBondContact O-CD 3.22Å; V93-P96 WeakPolarHBondContact O-CG 3.36Å; V93-E97 WeakPolarHBondContact O-CB 3.4Å; V93-E97 PolarHBondContact O-N 2.93Å |
| 94 | F | 87.4 | Confident | 81.2 | Confident | 39 Ų | 39 | 69.6 Ų | 69.6 | 17% | 0.171 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63 | -45.5 | -177.1 | 179.6 | -96.1 | 0 | 0 | 0 | 113.2 | V78 A79 L82 T90 L91 E97 T98 L104 | V78-F94 HydrophobicContact CB-CZ 4.21Å; V78-F94 HydrophobicContact CG1-CE2 3.86Å; V78-F94 HydrophobicContact CG1-CZ 3.81Å; A79-F94 HydrophobicContact CB-CE1 4.06Å; L82-F94 HydrophobicContact CD1-CB 4.07Å; L82-F94 HydrophobicContact CD1-CD1 4.27Å; L82-F94 HydrophobicContact CD1-CD2 4.33Å; L82-F94 HydrophobicContact CD1-CG 3.98Å; T90-F94 WeakPolarHBondContact O-CB 3.4Å; T90-F94 PolarHBondContact O-N 3.21Å; L91-F94 HydrophobicContact CD1-CD1 4.47Å; L91-F94 PolarHBondContact O-N 2.81Å; F94-E97 PolarHBondContact O-N 3.3Å; F94-T98 HydrophobicContact CD1-CG2 4.28Å; F94-T98 HydrophobicContact CD2-CG2 3.86Å; F94-T98 HydrophobicContact CE1-CG2 4.07Å; F94-T98 HydrophobicContact CE2-CG2 3.64Å; F94-T98 HydrophobicContact CG-CG2 4.19Å; F94-T98 HydrophobicContact CZ-CG2 3.76Å; F94-T98 WeakPolarHBondContact O-CB 3.36Å; F94-T98 VanDerWaalsContact O-CG2 3.25Å; F94-T98 WeakPolarHBondContact O-CG2 3.25Å; F94-T98 PolarHBondContact O-N 3.33Å; F94-T98 PolarHBondContact O-OG1 2.84Å; F94-L104 HydrophobicContact CE1-CD1 3.88Å |
| 95 | Q | 84.9 | Confident | 80.8 | Confident | 95 Ų | 95 | 69.8 Ų | 69.8 | 44% | 0.444 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -57.4 | -49.8 | -179.8 | -73.4 | -179.1 | -8.2 | 0 | 0 | 113.3 | L91 T98 S99 T100 | L91-Q95 HydrophobicContact CD1-CG 4.12Å; L91-Q95 HydrophobicContact CG-CG 4.46Å; L91-Q95 WeakPolarHBondContact O-CG 3.45Å; L91-Q95 PolarHBondContact O-N 3.23Å; Q95-T98 PolarHBondContact O-OG1 3.46Å; Q95-S99 PolarHBondContact O-N 2.68Å; Q95-T100 PolarHBondContact O-N 2.81Å; Q95-T100 PolarHBondContact O-OG1 3.31Å |
| 96 | P | 77 | Confident | 80.3 | Confident | 19 Ų | 19 | 66 Ų | 66 | 12% | 0.123 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -73.7 | -38.7 | 175.8 | 23.8 | -31.5 | 0 | 0 | 0 | 114.1 | F42 A92 V93 T98 S99 | F42-P96 HydrophobicContact CD1-CB 3.67Å; F42-P96 HydrophobicContact CD1-CG 3.51Å; F42-P96 HydrophobicContact CD2-CB 4.48Å; F42-P96 HydrophobicContact CD2-CG 4.38Å; F42-P96 HydrophobicContact CE1-CB 3.1Å; F42-P96 HydrophobicContact CE1-CG 3.54Å; F42-P96 HydrophobicContact CE2-CB 3.99Å; F42-P96 HydrophobicContact CE2-CG 4.37Å; F42-P96 HydrophobicContact CG-CB 4.37Å; F42-P96 HydrophobicContact CG-CG 4Å; F42-P96 HydrophobicContact CZ-CB 3.3Å; F42-P96 HydrophobicContact CZ-CG 4Å; A92-P96 WeakPolarHBondContact O-CD 3.26Å; A92-P96 VanDerWaalsContact O-CG 3.24Å; A92-P96 WeakPolarHBondContact O-CG 3.3Å; V93-P96 VanDerWaalsContact O-CD 3.27Å; V93-P96 WeakPolarHBondContact O-CD 3.22Å; V93-P96 WeakPolarHBondContact O-CG 3.36Å; P96-T98 VanDerWaalsContact C-N 3.25Å; P96-T98 PolarHBondContact O-N 2.94Å; P96-S99 WeakPolarHBondContact O-CA 3.48Å; P96-S99 PolarHBondContact O-N 3Å |
| 97 | E | 81 | Confident | 80.1 | Confident | 134 Ų | 134 | 62.4 Ų | 62.4 | 63% | 0.626 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -60.1 | -37.7 | 178.1 | -176.1 | 178 | 176.9 | 0 | 0 | 111.6 | V93 F94 S99 | V93-E97 WeakPolarHBondContact O-CB 3.4Å; V93-E97 PolarHBondContact O-N 2.93Å; F94-E97 PolarHBondContact O-N 3.3Å; E97-S99 VanDerWaalsContact C-N 3.28Å; E97-S99 PolarHBondContact O-N 3.32Å |
| 98 | T | 81.6 | Confident | 80 | Confident | 13 Ų | 13 | 64.3 Ų | 64.3 | 8% | 0.08 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -5.2 | 173.8 | 61.1 | 0 | 0 | 0 | 0 | 113.7 | L62 L66 F94 Q95 P96 T100 | L62-T98 HydrophobicContact CD2-CG2 3.93Å; L66-T98 WeakPolarHBondContact CD1-O 3.38Å; F94-T98 HydrophobicContact CD1-CG2 4.28Å; F94-T98 HydrophobicContact CD2-CG2 3.86Å; F94-T98 HydrophobicContact CE1-CG2 4.07Å; F94-T98 HydrophobicContact CE2-CG2 3.64Å; F94-T98 HydrophobicContact CG-CG2 4.19Å; F94-T98 HydrophobicContact CZ-CG2 3.76Å; F94-T98 WeakPolarHBondContact O-CB 3.36Å; F94-T98 VanDerWaalsContact O-CG2 3.25Å; F94-T98 WeakPolarHBondContact O-CG2 3.25Å; F94-T98 PolarHBondContact O-N 3.33Å; F94-T98 PolarHBondContact O-OG1 2.84Å; Q95-T98 PolarHBondContact O-OG1 3.46Å; P96-T98 VanDerWaalsContact C-N 3.25Å; P96-T98 PolarHBondContact O-N 2.94Å; T98-T100 PolarHBondContact O-N 3.23Å; T98-T100 WeakPolarHBondContact OG1-CG2 3.42Å; T98-T100 PolarHBondContact OG1-OG1 3.16Å; T98-T100 VanDerWaalsContact OG1-OG1 3.05Å |
| 99 | S | 75.1 | Confident | 80.1 | Confident | 43 Ų | 43 | 62 Ų | 62 | 30% | 0.301 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 29.9 | -172.6 | -58.4 | 0 | 0 | 0 | 0 | 113.7 | Q95 P96 E97 L101 | Q95-S99 PolarHBondContact O-N 2.68Å; P96-S99 WeakPolarHBondContact O-CA 3.48Å; P96-S99 PolarHBondContact O-N 3Å; E97-S99 VanDerWaalsContact C-N 3.28Å; E97-S99 PolarHBondContact O-N 3.32Å; S99-L101 PolarHBondContact O-N 2.9Å; S99-L101 VanDerWaalsContact O-N 3.13Å |
| 100 | T | 68.6 | Low | 80.2 | Confident | 16 Ų | 16 | 58.7 Ų | 58.7 | 10% | 0.098 | 32% | 0.321 | C | S | . | . | trans | -86.7 | 34.3 | -177.4 | 62.7 | 0 | 0 | 0 | 0 | 113 | L66 Q95 T98 Q102 G103 L104 | L66-T100 HydrophobicContact CD1-CG2 3.89Å; Q95-T100 PolarHBondContact O-N 2.81Å; Q95-T100 PolarHBondContact O-OG1 3.31Å; T98-T100 PolarHBondContact O-N 3.23Å; T98-T100 WeakPolarHBondContact OG1-CG2 3.42Å; T98-T100 PolarHBondContact OG1-OG1 3.16Å; T98-T100 VanDerWaalsContact OG1-OG1 3.05Å; T100-Q102 PolarHBondContact O-N 3.31Å; T100-G103 PolarHBondContact O-N 3.48Å; T100-L104 HydrophobicContact CG2-CD1 4.18Å; T100-L104 HydrophobicContact CG2-CD2 3.68Å; T100-L104 HydrophobicContact CG2-CG 4.03Å | ||
| 101 | L | 57.9 | Low | 80.2 | Confident | 125 Ų | 125 | 55.6 Ų | 55.6 | 65% | 0.654 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -19.3 | 178.5 | -88 | 165.4 | 0 | 0 | 0 | 114.3 | S99 G103 | S99-L101 PolarHBondContact O-N 2.9Å; S99-L101 VanDerWaalsContact O-N 3.13Å; L101-G103 PolarHBondContact O-N 2.79Å |
| 102 | Q | 59.8 | Low | 80.2 | Confident | 194 Ų | 194 | 62.2 Ų | 62.2 | 91% | 0.907 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -7 | 174.9 | -146.3 | 72.3 | 76.9 | 0 | 0 | 113.7 | T100 | T100-Q102 PolarHBondContact O-N 3.31Š|
| 103 | G | 65.1 | Low | 80.4 | Confident | 54 Ų | 54 | 66.3 Ų | 66.3 | 56% | 0.557 | 34% | 0.343 | S | S | * | . | trans | 90 | 133.9 | -175 | 0 | 0 | 0 | 0 | 0 | 112.5 | T100 L101 | T100-G103 PolarHBondContact O-N 3.48Å; L101-G103 PolarHBondContact O-N 2.79Å | ||
| 104 | L | 78.4 | Confident | 80.4 | Confident | 43 Ų | 43 | 66.8 Ų | 66.8 | 23% | 0.225 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -86.9 | 155.6 | 168.2 | -70.3 | 173.6 | 0 | 0 | 0 | 109.8 | A75 S76 A79 F94 T100 G106 | A75-L104 HydrophobicContact CB-CD2 4.2Å; S76-L104 WeakPolarHBondContact OG-CB 3.46Å; S76-L104 WeakPolarHBondContact OG-CD2 3.5Å; A79-L104 HydrophobicContact CB-CB 4.48Å; A79-L104 HydrophobicContact CB-CD1 3.53Å; F94-L104 HydrophobicContact CE1-CD1 3.88Å; T100-L104 HydrophobicContact CG2-CD1 4.18Å; T100-L104 HydrophobicContact CG2-CD2 3.68Å; T100-L104 HydrophobicContact CG2-CG 4.03Å; L104-G106 PolarHBondContact O-N 3.32Å |
| 105 | E | 83.8 | Confident | 80.2 | Confident | 73 Ų | 73 | 67.2 Ų | 67.2 | 34% | 0.341 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 133 | -174.2 | -63.8 | 82.6 | -168.7 | 0 | 0 | 112.2 | S76 N109 L110 | S76-E105 WeakPolarHBondContact CB-OE2 3.38Å; S76-E105 PolarHBondContact OG-N 2.86Å; S76-E105 PolarHBondContact OG-OE2 3.05Å; E105-N109 HydrophobicContact CB-CB 4.4Å; E105-L110 HydrophobicContact CB-CD2 4Å; E105-L110 HydrophobicContact CB-CG 4.21Å; E105-L110 VanDerWaalsContact O-CD1 3.32Å; E105-L110 WeakPolarHBondContact O-CD1 3.43Å |
| 106 | G | 83.9 | Confident | 80.2 | Confident | 28 Ų | 28 | 63.1 Ų | 63.1 | 29% | 0.289 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 154.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L104 E108 N109 L110 | L104-G106 PolarHBondContact O-N 3.32Å; G106-E108 PolarHBondContact O-N 3.17Å; G106-E108 VanDerWaalsContact O-N 3.1Å; G106-N109 PolarHBondContact O-N 3.09Å; G106-L110 PolarHBondContact O-N 3.23Å; G106-L110 VanDerWaalsContact O-N 3.07Å |
| 107 | R | 88.4 | Confident | 80.3 | Confident | 44 Ų | 44 | 68.9 Ų | 68.9 | 17% | 0.166 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -47.1 | -42.9 | -175.9 | -174 | -178.4 | 165.9 | 114.9 | -0.4 | 113.1 | E80 N109 L110 A111 E118 T122 G125 L127 | E80-R107 HydrophobicContact CG-CB 3.94Å; E80-R107 HydrophobicContact CG-CG 3.91Å; E80-R107 WeakPolarHBondContact OE1-CD 3.2Å; E80-R107 IonicContact OE1-CZ 3.25Å; E80-R107 IonicContact OE1-NE 3.66Å; E80-R107 IonicContact OE1-NH1 3.81Å; E80-R107 PolarHBondContact OE1-NH1 3.28Å; R107-N109 VanDerWaalsContact C-N 3.31Å; R107-N109 PolarHBondContact O-N 3.08Å; R107-L110 PolarHBondContact O-N 3.05Å; R107-A111 WeakPolarHBondContact O-CB 3.36Å; R107-A111 PolarHBondContact O-N 3.3Å; R107-E118 IonicContact CZ-OE1 2.68Å; R107-E118 VanDerWaalsContact CZ-OE1 3.28Å; R107-E118 IonicContact NE-OE1 3.73Å; R107-E118 PolarHBondContact NE-OE1 3.21Å; R107-E118 IonicContact NH2-OE1 3.69Å; R107-E118 PolarHBondContact NH2-OE1 3.3Å; R107-T122 PolarHBondContact NH2-O 2.86Å; R107-G125 PolarHBondContact NH1-O 2.9Å; R107-G125 PolarHBondContact NH2-O 2.88Å; R107-L127 HydrophobicContact CB-CD1 4.46Å; R107-L127 HydrophobicContact CG-CD1 3.64Å; R107-L127 HydrophobicContact CG-CD2 4.35Å; R107-L127 HydrophobicContact CG-CG 3.9Å; R107-L127 WeakPolarHBondContact O-CD1 3.47Å |
| 108 | E | 86.9 | Confident | 79.9 | Confident | 109 Ų | 109 | 66.5 Ų | 66.5 | 51% | 0.509 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67.5 | -26.8 | -179.4 | 73.8 | -66.1 | 161.2 | 0 | 0 | 114.2 | G106 R112 | G106-E108 PolarHBondContact O-N 3.17Å; G106-E108 VanDerWaalsContact O-N 3.1Å; E108-R112 PolarHBondContact O-N 3.43Å |
| 109 | N | 88.8 | Confident | 79.3 | Confident | 46 Ų | 46 | 68.4 Ų | 68.4 | 25% | 0.246 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -83.8 | -40.3 | 174.8 | -56.3 | -60.6 | 0 | 0 | 0 | 110.5 | E105 G106 R107 A111 R112 D113 | E105-N109 HydrophobicContact CB-CB 4.4Å; G106-N109 PolarHBondContact O-N 3.09Å; R107-N109 VanDerWaalsContact C-N 3.31Å; R107-N109 PolarHBondContact O-N 3.08Å; N109-A111 VanDerWaalsContact C-N 3.35Å; N109-A111 PolarHBondContact O-N 3.09Å; N109-R112 WeakPolarHBondContact O-CB 3.45Å; N109-R112 PolarHBondContact O-N 2.84Å; N109-R112 VanDerWaalsContact O-N 3.16Å; N109-R112 PolarHBondContact OD1-NH1 3.44Å; N109-R112 PolarHBondContact OD1-NH2 3.39Å; N109-D113 PolarHBondContact O-N 3.38Å |
| 110 | L | 89.9 | Confident | 78.5 | Confident | 1 Ų | 1 | 75.4 Ų | 75.4 | 1% | 0.005 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -58.9 | -45.4 | 172.3 | -64.3 | 173.2 | 0 | 0 | 0 | 111.9 | L73 S76 E80 E105 G106 R107 R112 D113 L114 L127 | L73-L110 HydrophobicContact CD1-CD2 3.67Å; S76-L110 VanDerWaalsContact CB-CD2 3.45Å; S76-L110 WeakPolarHBondContact O-CD1 3.47Å; E80-L110 HydrophobicContact CB-CD1 3.93Å; E80-L110 HydrophobicContact CG-CD1 4.33Å; E105-L110 HydrophobicContact CB-CD2 4Å; E105-L110 HydrophobicContact CB-CG 4.21Å; E105-L110 VanDerWaalsContact O-CD1 3.32Å; E105-L110 WeakPolarHBondContact O-CD1 3.43Å; G106-L110 PolarHBondContact O-N 3.23Å; G106-L110 VanDerWaalsContact O-N 3.07Å; R107-L110 PolarHBondContact O-N 3.05Å; L110-R112 VanDerWaalsContact C-N 3.3Å; L110-R112 PolarHBondContact O-N 3.46Å; L110-D113 PolarHBondContact O-N 2.86Å; L110-L114 WeakPolarHBondContact O-CB 3.48Å; L110-L114 WeakPolarHBondContact O-CD1 3.49Å; L110-L114 VanDerWaalsContact O-CG 3.24Å; L110-L114 WeakPolarHBondContact O-CG 3.37Å; L110-L114 PolarHBondContact O-N 2.85Å; L110-L127 HydrophobicContact CB-CD1 3.54Å; L110-L127 HydrophobicContact CD1-CD1 4.36Å |
| 111 | A | 88.8 | Confident | 78.2 | Confident | 4 Ų | 4 | 78.1 Ų | 78.1 | 3% | 0.033 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -59.3 | -42.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | R107 N109 G115 I116 E118 L127 | R107-A111 WeakPolarHBondContact O-CB 3.36Å; R107-A111 PolarHBondContact O-N 3.3Å; N109-A111 VanDerWaalsContact C-N 3.35Å; N109-A111 PolarHBondContact O-N 3.09Å; A111-G115 PolarHBondContact O-N 3.27Å; A111-I116 HydrophobicContact CB-CB 4.2Å; A111-I116 WeakPolarHBondContact O-CA 3.37Å; A111-I116 PolarHBondContact O-N 3.5Å; A111-E118 HydrophobicContact CB-CG 3.97Å; A111-L127 HydrophobicContact CB-CD1 4.24Å; A111-L127 HydrophobicContact CB-CD2 4.14Å |
| 112 | R | 88.9 | Confident | 78.6 | Confident | 163 Ų | 163 | 73.1 Ų | 73.1 | 62% | 0.615 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62.5 | -49.3 | 176.4 | -169.8 | -172.3 | -54.9 | 135.7 | 15.8 | 112.1 | E108 N109 L110 L114 G115 | E108-R112 PolarHBondContact O-N 3.43Å; N109-R112 WeakPolarHBondContact O-CB 3.45Å; N109-R112 PolarHBondContact O-N 2.84Å; N109-R112 VanDerWaalsContact O-N 3.16Å; N109-R112 PolarHBondContact OD1-NH1 3.44Å; N109-R112 PolarHBondContact OD1-NH2 3.39Å; L110-R112 VanDerWaalsContact C-N 3.3Å; L110-R112 PolarHBondContact O-N 3.46Å; R112-L114 VanDerWaalsContact C-N 3.28Å; R112-L114 PolarHBondContact O-N 3.47Å; R112-G115 PolarHBondContact O-N 2.83Å |
| 113 | D | 86.1 | Confident | 79 | Confident | 114 Ų | 114 | 67.9 Ų | 67.9 | 61% | 0.61 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -67.1 | -30 | -176.8 | -75.5 | 5.8 | 0 | 0 | 0 | 112.2 | L73 N109 L110 G115 | L73-D113 HydrophobicContact CD1-CB 4.48Å; N109-D113 PolarHBondContact O-N 3.38Å; L110-D113 PolarHBondContact O-N 2.86Å; D113-G115 VanDerWaalsContact C-N 3.32Å |
| 114 | L | 86.1 | Confident | 79.8 | Confident | 45 Ų | 45 | 68.5 Ų | 68.5 | 24% | 0.236 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -0.8 | 173.7 | -65.2 | 164.6 | 0 | 0 | 0 | 113.8 | L73 L77 L110 R112 I116 V131 R134 | L73-L114 HydrophobicContact CD1-CD1 4.44Å; L73-L114 HydrophobicContact CD1-CD2 4.28Å; L73-L114 HydrophobicContact CD1-CG 4.16Å; L73-L114 HydrophobicContact CD2-CD2 3.96Å; L73-L114 HydrophobicContact CG-CD2 4.39Å; L77-L114 HydrophobicContact CD1-CD1 4.11Å; L77-L114 HydrophobicContact CD2-CD1 3.8Å; L77-L114 HydrophobicContact CG-CD1 4.25Å; L110-L114 WeakPolarHBondContact O-CB 3.48Å; L110-L114 WeakPolarHBondContact O-CD1 3.49Å; L110-L114 VanDerWaalsContact O-CG 3.24Å; L110-L114 WeakPolarHBondContact O-CG 3.37Å; L110-L114 PolarHBondContact O-N 2.85Å; R112-L114 VanDerWaalsContact C-N 3.28Å; R112-L114 PolarHBondContact O-N 3.47Å; L114-I116 HydrophobicContact CB-CD1 3.67Å; L114-I116 HydrophobicContact CB-CG1 3.8Å; L114-I116 HydrophobicContact CD1-CD1 3.85Å; L114-I116 HydrophobicContact CG-CD1 4.4Å; L114-I116 PolarHBondContact O-N 3.19Å; L114-V131 HydrophobicContact CD1-CG2 3.8Å; L114-V131 HydrophobicContact CD2-CG2 4.14Å; L114-R134 PolarHBondContact O-NH1 3.42Å; L114-R134 VanDerWaalsContact O-NH1 3.08Å |
| 115 | G | 83.7 | Confident | 80.3 | Confident | 48 Ų | 48 | 66.9 Ų | 66.9 | 50% | 0.495 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 29.7 | -174 | 0 | 0 | 0 | 0 | 0 | 113.3 | A111 R112 D113 R134 | A111-G115 PolarHBondContact O-N 3.27Å; R112-G115 PolarHBondContact O-N 2.83Å; D113-G115 VanDerWaalsContact C-N 3.32Å; G115-R134 VanDerWaalsContact C-NH1 3.29Å; G115-R134 PolarHBondContact O-NH1 3.33Å; G115-R134 PolarHBondContact O-NH2 3.47Å |
| 116 | I | 84.1 | Confident | 80.7 | Confident | 10 Ų | 10 | 63.8 Ų | 63.8 | 5% | 0.051 | 38% | 0.377 | C | S | . | . | trans | -84.4 | 114.4 | 176 | -63 | 169 | 0 | 0 | 0 | 108.2 | A111 L114 E118 T122 L127 E130 V131 | A111-I116 HydrophobicContact CB-CB 4.2Å; A111-I116 WeakPolarHBondContact O-CA 3.37Å; A111-I116 PolarHBondContact O-N 3.5Å; L114-I116 HydrophobicContact CB-CD1 3.67Å; L114-I116 HydrophobicContact CB-CG1 3.8Å; L114-I116 HydrophobicContact CD1-CD1 3.85Å; L114-I116 HydrophobicContact CG-CD1 4.4Å; L114-I116 PolarHBondContact O-N 3.19Å; I116-E118 PolarHBondContact O-N 3.49Å; I116-T122 HydrophobicContact CG2-CG2 4.36Å; I116-L127 HydrophobicContact CD1-CD2 4.22Å; I116-L127 HydrophobicContact CG2-CD2 4.38Å; I116-E130 HydrophobicContact CB-CG 4.47Å; I116-E130 HydrophobicContact CD1-CB 4.11Å; I116-E130 HydrophobicContact CD1-CG 3.66Å; I116-E130 HydrophobicContact CG1-CG 3.8Å; I116-E130 HydrophobicContact CG2-CG 3.84Å; I116-V131 HydrophobicContact CD1-CG2 4.37Å | ||
| 117 | I | 79.8 | Confident | 81 | Confident | 139 Ų | 139 | 62.5 Ų | 62.5 | 71% | 0.713 | 36% | 0.363 | S | S | * | . | trans | -79 | 113.8 | 168 | -58.8 | 173 | 0 | 0 | 0 | 106 | A119 | I117-A119 PolarHBondContact O-N 2.83Å; I117-A119 VanDerWaalsContact O-N 3.14Å | ||
| 118 | E | 72.8 | Confident | 81.3 | Confident | 84 Ų | 84 | 63.4 Ų | 63.4 | 39% | 0.393 | 37% | 0.371 | S | S | . | . | trans | -69.6 | 111.5 | 175 | -66.1 | -143.6 | 121.5 | 0 | 0 | 110.1 | R107 A111 I116 T122 | R107-E118 IonicContact CZ-OE1 2.68Å; R107-E118 VanDerWaalsContact CZ-OE1 3.28Å; R107-E118 IonicContact NE-OE1 3.73Å; R107-E118 PolarHBondContact NE-OE1 3.21Å; R107-E118 IonicContact NH2-OE1 3.69Å; R107-E118 PolarHBondContact NH2-OE1 3.3Å; A111-E118 HydrophobicContact CB-CG 3.97Å; I116-E118 PolarHBondContact O-N 3.49Å; E118-T122 VanDerWaalsContact CA-OG1 3.3Å; E118-T122 WeakPolarHBondContact CA-OG1 3.33Å | ||
| 119 | A | 69.4 | Low | 81.4 | Confident | 53 Ų | 53 | 63.4 Ų | 63.4 | 44% | 0.438 | 37% | 0.374 | S | S | . | . | trans | -124 | 172 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | I117 G121 T122 V123 | I117-A119 PolarHBondContact O-N 2.83Å; I117-A119 VanDerWaalsContact O-N 3.14Å; A119-G121 PolarHBondContact O-N 2.86Å; A119-T122 PolarHBondContact N-OG1 3.29Å; A119-T122 PolarHBondContact O-N 3.49Å; A119-T122 PolarHBondContact O-OG1 3.05Å; A119-V123 PolarHBondContact O-N 3.49Å | ||
| 120 | E | 58.2 | Low | 81.5 | Confident | 190 Ų | 190 | 61.9 Ų | 61.9 | 89% | 0.888 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -19.8 | -177.4 | -68.4 | 169.2 | 143.7 | 0 | 0 | 113.7 | V123 | E120-V123 WeakPolarHBondContact O-CG2 3.13Š|
| 121 | G | 62.2 | Low | 81.5 | Confident | 74 Ų | 74 | 63.5 Ų | 63.5 | 76% | 0.763 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -19.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | A119 | A119-G121 PolarHBondContact O-N 2.86Š|
| 122 | T | 64.6 | Low | 81.6 | Confident | 20 Ų | 20 | 67.4 Ų | 67.4 | 12% | 0.123 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -21.9 | -178.4 | 61.2 | 0 | 0 | 0 | 0 | 113.1 | R107 I116 E118 A119 G124 E130 | R107-T122 PolarHBondContact NH2-O 2.86Å; I116-T122 HydrophobicContact CG2-CG2 4.36Å; E118-T122 VanDerWaalsContact CA-OG1 3.3Å; E118-T122 WeakPolarHBondContact CA-OG1 3.33Å; A119-T122 PolarHBondContact N-OG1 3.29Å; A119-T122 PolarHBondContact O-N 3.49Å; A119-T122 PolarHBondContact O-OG1 3.05Å; T122-G124 PolarHBondContact O-N 3.14Å; T122-E130 HydrophobicContact CG2-CG 4.33Å |
| 123 | V | 70 | Confident | 81.5 | Confident | 83 Ų | 83 | 64.7 Ų | 64.7 | 50% | 0.503 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -17.4 | 175.6 | -62.4 | 0 | 0 | 0 | 0 | 113.1 | A119 E120 G125 | A119-V123 PolarHBondContact O-N 3.49Å; E120-V123 WeakPolarHBondContact O-CG2 3.13Å; V123-G125 VanDerWaalsContact C-N 3.28Å; V123-G125 PolarHBondContact O-N 2.87Å |
| 124 | G | 81.4 | Confident | 81.5 | Confident | 68 Ų | 68 | 63.5 Ų | 63.5 | 70% | 0.701 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | 4.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | T122 | T122-G124 PolarHBondContact O-N 3.14Š|
| 125 | G | 87.8 | Confident | 81.5 | Confident | 8 Ų | 8 | 64.9 Ų | 64.9 | 8% | 0.082 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -155.2 | 168.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | F84 R107 V123 | F84-G125 VanDerWaalsContact CE2-C 3.44Å; F84-G125 WeakPolarHBondContact CE2-O 3.41Å; F84-G125 VanDerWaalsContact CZ-C 3.43Å; R107-G125 PolarHBondContact NH1-O 2.9Å; R107-G125 PolarHBondContact NH2-O 2.88Å; V123-G125 VanDerWaalsContact C-N 3.28Å; V123-G125 PolarHBondContact O-N 2.87Å |
| 126 | P | 92.4 | Very high | 81.6 | Confident | 9 Ų | 9 | 68.6 Ų | 68.6 | 6% | 0.058 | 39% | 0.388 | C | S | . | . | trans | -67.4 | 152.6 | 172.5 | 32.4 | -37.5 | 0 | 0 | 0 | 110.2 | E80 F81 F84 F85 L128 L129 | E80-P126 WeakPolarHBondContact OE2-CA 3.36Å; F81-P126 HydrophobicContact CB-CB 4.33Å; F81-P126 HydrophobicContact CD2-CB 3.99Å; F81-P126 HydrophobicContact CD2-CG 3.81Å; F81-P126 HydrophobicContact CE2-CG 4.33Å; F84-P126 HydrophobicContact CB-CB 4.14Å; F84-P126 HydrophobicContact CD1-CB 4.18Å; F84-P126 HydrophobicContact CD1-CG 4.38Å; F84-P126 HydrophobicContact CG-CB 4.07Å; F85-P126 HydrophobicContact CE2-CG 3.94Å; F85-P126 HydrophobicContact CZ-CG 4.45Å; P126-L128 PolarHBondContact O-N 3.08Å; P126-L129 HydrophobicContact CG-CB 4.17Å; P126-L129 WeakPolarHBondContact O-CB 3.18Å; P126-L129 PolarHBondContact O-N 2.94Å | ||
| 127 | L | 91.1 | Very high | 81.3 | Confident | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.005 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -60.2 | -30.5 | 179.9 | -67.9 | -179.5 | 0 | 0 | 0 | 112.6 | L77 E80 R107 L110 A111 I116 L129 E130 V131 | L77-L127 HydrophobicContact CD2-CB 3.67Å; E80-L127 HydrophobicContact CG-CD1 4.34Å; E80-L127 HydrophobicContact CG-CG 4.46Å; E80-L127 PolarHBondContact OE2-N 3.19Å; R107-L127 HydrophobicContact CB-CD1 4.46Å; R107-L127 HydrophobicContact CG-CD1 3.64Å; R107-L127 HydrophobicContact CG-CD2 4.35Å; R107-L127 HydrophobicContact CG-CG 3.9Å; R107-L127 WeakPolarHBondContact O-CD1 3.47Å; L110-L127 HydrophobicContact CB-CD1 3.54Å; L110-L127 HydrophobicContact CD1-CD1 4.36Å; A111-L127 HydrophobicContact CB-CD1 4.24Å; A111-L127 HydrophobicContact CB-CD2 4.14Å; I116-L127 HydrophobicContact CD1-CD2 4.22Å; I116-L127 HydrophobicContact CG2-CD2 4.38Å; L127-L129 PolarHBondContact O-N 2.85Å; L127-E130 PolarHBondContact O-N 3.3Å; L127-V131 PolarHBondContact O-N 2.63Å |
| 128 | L | 93.4 | Very high | 80.7 | Confident | 62 Ų | 62 | 75 Ų | 75 | 33% | 0.325 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -57.6 | -33.2 | 175.5 | -171.1 | 62 | 0 | 0 | 0 | 112.5 | F81 P126 V131 I132 | F81-L128 HydrophobicContact CD2-CD2 4.28Å; P126-L128 PolarHBondContact O-N 3.08Å; L128-V131 PolarHBondContact O-N 2.98Å; L128-I132 WeakPolarHBondContact O-CG1 3.3Å; L128-I132 PolarHBondContact O-N 3.44Å |
| 129 | L | 90.8 | Very high | 80 | Confident | 109 Ų | 109 | 78.7 Ų | 78.7 | 57% | 0.571 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -66.6 | -41.9 | 175 | 177 | 62.1 | 0 | 0 | 0 | 111.8 | P126 L127 I132 R133 | P126-L129 HydrophobicContact CG-CB 4.17Å; P126-L129 WeakPolarHBondContact O-CB 3.18Å; P126-L129 PolarHBondContact O-N 2.94Å; L127-L129 PolarHBondContact O-N 2.85Å; L129-I132 PolarHBondContact O-N 2.65Å; L129-R133 WeakPolarHBondContact O-CB 3.42Å; L129-R133 PolarHBondContact O-N 3.06Å |
| 130 | E | 89.3 | Confident | 79.3 | Confident | 15 Ų | 15 | 84.6 Ų | 84.6 | 7% | 0.07 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -67.3 | -36.5 | 178.5 | 174.7 | 58.8 | -165 | 0 | 0 | 111.7 | I116 T122 L127 R133 R134 | I116-E130 HydrophobicContact CB-CG 4.47Å; I116-E130 HydrophobicContact CD1-CB 4.11Å; I116-E130 HydrophobicContact CD1-CG 3.66Å; I116-E130 HydrophobicContact CG1-CG 3.8Å; I116-E130 HydrophobicContact CG2-CG 3.84Å; T122-E130 HydrophobicContact CG2-CG 4.33Å; L127-E130 PolarHBondContact O-N 3.3Å; E130-R133 VanDerWaalsContact CD-NH2 3.3Å; E130-R133 PolarHBondContact O-N 2.85Å; E130-R133 IonicContact OE1-CZ 2.78Å; E130-R133 IonicContact OE1-NE 2.84Å; E130-R133 IonicContact OE1-NH2 2.74Å; E130-R133 PolarHBondContact OE1-NH2 3.43Å; E130-R133 IonicContact OE2-CZ 2.71Å; E130-R133 VanDerWaalsContact OE2-CZ 3.25Å; E130-R133 IonicContact OE2-NE 3.77Å; E130-R133 PolarHBondContact OE2-NE 3.32Å; E130-R133 IonicContact OE2-NH2 3.05Å; E130-R133 PolarHBondContact OE2-NH2 3.2Å; E130-R134 WeakPolarHBondContact O-CB 3.31Å; E130-R134 VanDerWaalsContact O-CG 3.31Å; E130-R134 WeakPolarHBondContact O-CG 3.28Å; E130-R134 PolarHBondContact O-N 3.05Å; E130-R134 IonicContact OE1-CZ 2.63Å; E130-R134 IonicContact OE1-NE 2.64Å; E130-R134 PolarHBondContact OE1-NE 3.24Å; E130-R134 IonicContact OE1-NH2 3.55Å |
| 131 | V | 90.4 | Very high | 78.3 | Confident | 34 Ų | 34 | 77.7 Ų | 77.7 | 21% | 0.206 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -58.3 | -50.8 | 171.6 | 174.4 | 0 | 0 | 0 | 0 | 110.8 | L77 L114 I116 L127 L128 R133 R134 C135 | L77-V131 HydrophobicContact CD1-CG2 4.26Å; L77-V131 HydrophobicContact CD2-CG2 4.49Å; L114-V131 HydrophobicContact CD1-CG2 3.8Å; L114-V131 HydrophobicContact CD2-CG2 4.14Å; I116-V131 HydrophobicContact CD1-CG2 4.37Å; L127-V131 PolarHBondContact O-N 2.63Å; L128-V131 PolarHBondContact O-N 2.98Å; V131-R133 PolarHBondContact O-N 2.9Å; V131-R134 PolarHBondContact O-N 3.17Å; V131-C135 PolarHBondContact O-N 2.92Å; V131-C135 PolarHBondContact O-SG 3.49Å; V131-C135 VanDerWaalsContact O-SG 3.35Å |
| 132 | I | 90.1 | Very high | 77.5 | Confident | 86 Ų | 86 | 79.8 Ų | 79.8 | 44% | 0.441 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62 | -42.4 | 178.2 | -63.7 | -63.5 | 0 | 0 | 0 | 111.5 | L128 L129 R134 C135 Q136 | L128-I132 WeakPolarHBondContact O-CG1 3.3Å; L128-I132 PolarHBondContact O-N 3.44Å; L129-I132 PolarHBondContact O-N 2.65Å; I132-R134 VanDerWaalsContact C-N 3.33Å; I132-R134 PolarHBondContact O-N 3.23Å; I132-C135 PolarHBondContact O-N 3.02Å; I132-Q136 WeakPolarHBondContact O-CG 3.47Å; I132-Q136 PolarHBondContact O-N 3.44Å; I132-Q136 VanDerWaalsContact O-N 3.09Å |
| 133 | R | 88.3 | Confident | 76.2 | Confident | 107 Ų | 107 | 85.6 Ų | 85.6 | 40% | 0.404 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59 | -43.1 | 177.4 | -168.3 | -172.7 | 70.9 | 94.2 | 15.2 | 111.8 | L129 E130 V131 Q136 Q137 | L129-R133 WeakPolarHBondContact O-CB 3.42Å; L129-R133 PolarHBondContact O-N 3.06Å; E130-R133 VanDerWaalsContact CD-NH2 3.3Å; E130-R133 PolarHBondContact O-N 2.85Å; E130-R133 IonicContact OE1-CZ 2.78Å; E130-R133 IonicContact OE1-NE 2.84Å; E130-R133 IonicContact OE1-NH2 2.74Å; E130-R133 PolarHBondContact OE1-NH2 3.43Å; E130-R133 IonicContact OE2-CZ 2.71Å; E130-R133 VanDerWaalsContact OE2-CZ 3.25Å; E130-R133 IonicContact OE2-NE 3.77Å; E130-R133 PolarHBondContact OE2-NE 3.32Å; E130-R133 IonicContact OE2-NH2 3.05Å; E130-R133 PolarHBondContact OE2-NH2 3.2Å; V131-R133 PolarHBondContact O-N 2.9Å; R133-Q136 PolarHBondContact O-N 3.34Å; R133-Q137 WeakPolarHBondContact O-CG 3.4Å; R133-Q137 PolarHBondContact O-N 2.92Å; R133-Q137 VanDerWaalsContact O-N 3.12Å |
| 134 | R | 86.3 | Confident | 74.6 | Confident | 88 Ų | 88 | 87.2 Ų | 87.2 | 33% | 0.332 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.3 | -42.2 | 177 | -74.6 | 173.7 | 172 | -138.3 | -12.1 | 112.4 | L114 G115 E130 V131 I132 Q136 Q137 K138 | L114-R134 PolarHBondContact O-NH1 3.42Å; L114-R134 VanDerWaalsContact O-NH1 3.08Å; G115-R134 VanDerWaalsContact C-NH1 3.29Å; G115-R134 PolarHBondContact O-NH1 3.33Å; G115-R134 PolarHBondContact O-NH2 3.47Å; E130-R134 WeakPolarHBondContact O-CB 3.31Å; E130-R134 VanDerWaalsContact O-CG 3.31Å; E130-R134 WeakPolarHBondContact O-CG 3.28Å; E130-R134 PolarHBondContact O-N 3.05Å; E130-R134 IonicContact OE1-CZ 2.63Å; E130-R134 IonicContact OE1-NE 2.64Å; E130-R134 PolarHBondContact OE1-NE 3.24Å; E130-R134 IonicContact OE1-NH2 3.55Å; V131-R134 PolarHBondContact O-N 3.17Å; I132-R134 VanDerWaalsContact C-N 3.33Å; I132-R134 PolarHBondContact O-N 3.23Å; R134-Q136 PolarHBondContact O-N 3.24Å; R134-Q137 PolarHBondContact O-N 2.91Å; R134-K138 PolarHBondContact O-N 2.98Å |
| 135 | C | 85.3 | Confident | 72.3 | Confident | 74 Ų | 74 | 87.6 Ų | 87.6 | 50% | 0.5 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.9 | -46.1 | 175.4 | -68.5 | 0 | 0 | 0 | 0 | 111.8 | V131 I132 Q137 K138 E139 | V131-C135 PolarHBondContact O-N 2.92Å; V131-C135 PolarHBondContact O-SG 3.49Å; V131-C135 VanDerWaalsContact O-SG 3.35Å; I132-C135 PolarHBondContact O-N 3.02Å; C135-Q137 VanDerWaalsContact C-N 3.3Å; C135-Q137 PolarHBondContact O-N 3.17Å; C135-K138 PolarHBondContact O-N 2.73Å; C135-E139 PolarHBondContact O-N 2.96Å |
| 136 | Q | 86.1 | Confident | 69.9 | Low | 126 Ų | 126 | 95.6 Ų | 95.6 | 59% | 0.589 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66 | -29 | 177.7 | -67 | 176 | 5.3 | 0 | 0 | 113.8 | I132 R133 R134 K140 | I132-Q136 WeakPolarHBondContact O-CG 3.47Å; I132-Q136 PolarHBondContact O-N 3.44Å; I132-Q136 VanDerWaalsContact O-N 3.09Å; R133-Q136 PolarHBondContact O-N 3.34Å; R134-Q136 PolarHBondContact O-N 3.24Å; Q136-K140 PolarHBondContact O-N 3.31Å |
| 137 | Q | 78.6 | Confident | 67 | Low | 100 Ų | 100 | 104.8 Ų | 104.8 | 47% | 0.467 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -79.2 | -26.6 | 175.7 | -73.6 | 172.3 | 11.7 | 0 | 0 | 112.8 | R133 R134 C135 K140 | R133-Q137 WeakPolarHBondContact O-CG 3.4Å; R133-Q137 PolarHBondContact O-N 2.92Å; R133-Q137 VanDerWaalsContact O-N 3.12Å; R134-Q137 PolarHBondContact O-N 2.91Å; C135-Q137 VanDerWaalsContact C-N 3.3Å; C135-Q137 PolarHBondContact O-N 3.17Å; Q137-K140 CarbonylContact O-C 3.45Å; Q137-K140 PolarHBondContact O-N 3.09Å |
| 138 | K | 66.6 | Low | 64.5 | Low | 184 Ų | 184 | 108.9 Ų | 108.9 | 80% | 0.8 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -71.1 | -31.5 | 175.1 | -169.4 | 177.3 | 174.3 | -173.5 | 0 | 112.5 | R134 C135 | R134-K138 PolarHBondContact O-N 2.98Å; C135-K138 PolarHBondContact O-N 2.73Å |
| 139 | E | 57.7 | Low | 61.5 | Low | 161 Ų | 161 | 112.7 Ų | 112.7 | 75% | 0.752 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -68.7 | -37.9 | 171.9 | -72.2 | -89.2 | 114.1 | 0 | 0 | 112.4 | C135 G141 | C135-E139 PolarHBondContact O-N 2.96Å; E139-G141 VanDerWaalsContact C-N 3.32Å; E139-G141 PolarHBondContact O-N 2.64Å |
| 140 | K | 54.3 | Low | 58.7 | Low | 177 Ų | 177 | 114.8 Ų | 114.8 | 77% | 0.77 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -83.2 | 80.2 | 171.6 | -70.2 | -177.7 | 179.5 | 177.2 | 0 | 109.5 | Q136 Q137 | Q136-K140 PolarHBondContact O-N 3.31Å; Q137-K140 CarbonylContact O-C 3.45Å; Q137-K140 PolarHBondContact O-N 3.09Å |
| 141 | G | 38.7 | Very low | 56 | Low | 45 Ų | 45 | 122.5 Ų | 122.5 | 46% | 0.464 | 65% | 0.652 | S | S | . | * | trans | -44.7 | 151.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | E139 T143 | E139-G141 VanDerWaalsContact C-N 3.32Å; E139-G141 PolarHBondContact O-N 2.64Å; G141-T143 PolarHBondContact O-N 3.37Å | ||
| 142 | P | 43.6 | Very low | 53.2 | Low | 118 Ų | 118 | 124.5 Ų | 124.5 | 77% | 0.766 | 67% | 0.672 | S | S | * | * | trans | -61.9 | 112.7 | -169 | 26.2 | -35.1 | 0 | 0 | 0 | 111.2 | T144 | P142-T144 PolarHBondContact O-N 3.4Š| ||
| 143 | T | 38.2 | Very low | 50.4 | Low | 142 Ų | 142 | 126.8 Ų | 126.8 | 87% | 0.871 | 69% | 0.685 | S | S | * | * | trans | -70.2 | 87.3 | 158.2 | 47.8 | 0 | 0 | 0 | 0 | 107.9 | G141 G145 | G141-T143 PolarHBondContact O-N 3.37Å; T143-G145 VanDerWaalsContact C-N 3.31Å; T143-G145 PolarHBondContact O-N 3.03Å | ||
| 144 | T | 36.6 | Very low | 47.9 | Very low | 117 Ų | 117 | 129 Ų | 129 | 72% | 0.718 | 70% | 0.7 | S | S | * | * | trans | -57.5 | 93.3 | 170.9 | -58.2 | 0 | 0 | 0 | 0 | 109.4 | P142 E146 | P142-T144 PolarHBondContact O-N 3.4Å; T144-E146 VanDerWaalsContact C-N 3.32Å; T144-E146 HydrophobicContact CG2-CB 4.25Å | ||
| 145 | G | 33.6 | Very low | 45.5 | Very low | 77 Ų | 77 | 129.5 Ų | 129.5 | 79% | 0.794 | 72% | 0.717 | S | S | * | * | trans | -96 | 36.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | T143 K147 | T143-G145 VanDerWaalsContact C-N 3.31Å; T143-G145 PolarHBondContact O-N 3.03Å; G145-K147 PolarHBondContact O-N 3.44Å | ||
| 146 | E | 37.4 | Very low | 42.9 | Very low | 175 Ų | 175 | 132.8 Ų | 132.8 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | trans | -81.5 | 94.2 | 177.2 | -166.9 | 178.6 | -176.3 | 0 | 0 | 110.2 | T144 | T144-E146 VanDerWaalsContact C-N 3.32Å; T144-E146 HydrophobicContact CG2-CB 4.25Å | ||
| 147 | K | 31.3 | Very low | 40.4 | Very low | 203 Ų | 203 | 133 Ų | 133 | 88% | 0.883 | 74% | 0.739 | S | S | * | * | trans | -142.6 | 107.4 | 156.9 | -78.3 | -160.8 | 174.8 | -174.4 | 0 | 110.5 | G145 | G145-K147 PolarHBondContact O-N 3.44Š| ||
| 148 | A | 37.3 | Very low | 38.4 | Very low | 86 Ų | 86 | 132.8 Ų | 132.8 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | trans | -74.2 | 145.6 | 156.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 149 | N | 32 | Very low | 37 | Very low | 142 Ų | 142 | 130.1 Ų | 130.1 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | trans | 46 | 128.7 | 155.7 | -58.8 | 3.8 | 0 | 0 | 0 | 118.1 | ||||
| 150 | D | 31.5 | Very low | 35.8 | Very low | 154 Ų | 154 | 127.6 Ų | 127.6 | 82% | 0.824 | 75% | 0.748 | S | S | * | * | -169.3 | -174.8 | 59.1 | -105.6 | -40.2 | 0 | 0 | 0 | 113.5 | |||||
| 151 | E | 32 | Very low | 34.9 | Very low | 177 Ų | 177 | 126.6 Ų | 126.6 | 83% | 0.827 | 75% | 0.75 | S | S | * | * | trans | -52.2 | 148.8 | -167.1 | -62.4 | -166.2 | 114 | 0 | 0 | 122.1 | ||||
| 152 | A | 32.9 | Very low | 34.7 | Very low | 75 Ų | 75 | 129.9 Ų | 129.9 | 62% | 0.62 | 77% | 0.767 | S | S | * | * | 60 | 146.6 | 128 | 0 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 153 | N | 29.4 | Very low | 34.3 | Very low | 135 Ų | 135 | 132.7 Ų | 132.7 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | trans | 69.2 | 148 | 158.8 | -63.8 | -32.6 | 0 | 0 | 0 | 117.6 | ||||
| 154 | Q | 37.2 | Very low | 34.5 | Very low | 153 Ų | 153 | 130.7 Ų | 130.7 | 72% | 0.715 | 76% | 0.759 | S | S | * | * | cis | -169.7 | 144.5 | -19.5 | -115.7 | 173.1 | 36.2 | 0 | 0 | 106.6 | ||||
| 155 | S | 35.2 | Very low | 34.3 | Very low | 98 Ų | 98 | 134.2 Ų | 134.2 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | trans | 58.6 | 158.8 | 155.2 | 59.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 156 | D | 31.8 | Very low | 34.1 | Very low | 143 Ų | 143 | 136.7 Ų | 136.7 | 77% | 0.765 | 77% | 0.769 | S | S | * | * | cis | -167.8 | 176.2 | -23.8 | -104.9 | -49 | 0 | 0 | 0 | 107.7 | ||||
| 157 | T | 32.1 | Very low | 34.5 | Very low | 130 Ų | 130 | 137.9 Ų | 137.9 | 80% | 0.798 | 77% | 0.772 | S | S | * | * | trans | 78 | 132.7 | 158.4 | -40.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 158 | S | 36.8 | Very low | 34.3 | Very low | 97 Ų | 97 | 134 Ų | 134 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | cis | -174.7 | 161.4 | -14.7 | 65.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 159 | V | 37.1 | Very low | 34 | Very low | 128 Ų | 128 | 135.4 Ų | 135.4 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | cis | -167.1 | 169.7 | -14 | -96.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 160 | S | 33.2 | Very low | 34.6 | Very low | 107 Ų | 107 | 136.3 Ų | 136.3 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | trans | 91 | 142.7 | 145.1 | -76.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 161 | L | 35.8 | Very low | 34.5 | Very low | 156 Ų | 156 | 137.1 Ų | 137.1 | 82% | 0.817 | 78% | 0.777 | S | S | * | * | cis | -169.1 | 136 | -11 | 173.6 | 68.7 | 0 | 0 | 0 | 109 | ||||
| 162 | S | 34.2 | Very low | 35.1 | Very low | 115 Ų | 115 | 136.7 Ų | 136.7 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | 162.1 | 119.3 | 133.6 | 48.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 163 | E | 33.8 | Very low | 34.9 | Very low | 176 Ų | 176 | 140.3 Ų | 140.3 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | -91.5 | -175.7 | 153.5 | -80.9 | -163.9 | 150.1 | 0 | 0 | 109.3 | ||||
| 164 | P | 43 | Very low | 35 | Very low | 101 Ų | 101 | 138.9 Ų | 138.9 | 66% | 0.656 | 79% | 0.788 | S | S | * | * | cis | -137.7 | 170.9 | 0.6 | 22.1 | 4.1 | 0 | 0 | 0 | 118 | ||||
| 165 | K | 31.8 | Very low | 34.7 | Very low | 191 Ų | 191 | 139.9 Ų | 139.9 | 83% | 0.83 | 79% | 0.793 | S | S | * | * | trans | 31.2 | 131.7 | 142.2 | -64.5 | 166.4 | 176.8 | 155.8 | 0 | 121.7 | ||||
| 166 | S | 30.1 | Very low | 34.3 | Very low | 128 Ų | 128 | 142.5 Ų | 142.5 | 90% | 0.895 | 79% | 0.794 | S | S | * | * | -170.2 | 176.3 | 112.8 | -86.6 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 167 | K | 46.5 | Very low | 34.2 | Very low | 200 Ų | 200 | 141.1 Ų | 141.1 | 87% | 0.87 | 79% | 0.791 | S | S | * | * | trans | -116.4 | 171.9 | -154.3 | -60.1 | 172.8 | 175.1 | 177.5 | 0 | 115.4 | ||||
| 168 | S | 26.7 | Very low | 34.3 | Very low | 121 Ų | 121 | 143.4 Ų | 143.4 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | 84 | 154 | 159.6 | 88.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 169 | S | 31.3 | Very low | 34.5 | Very low | 117 Ų | 117 | 146.1 Ų | 146.1 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | cis | -150.8 | 166.4 | -3.5 | -158.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 170 | L | 44.6 | Very low | 34.1 | Very low | 161 Ų | 161 | 142.7 Ų | 142.7 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | trans | -75.9 | 149.6 | 179.4 | -62.6 | 162.6 | 0 | 0 | 0 | 113.2 | ||||
| 171 | H | 29.2 | Very low | 34.2 | Very low | 171 Ų | 171 | 142.3 Ų | 142.3 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | trans | -156.8 | 125.3 | 131.9 | -136 | -85.2 | 0 | 0 | 0 | 113.2 | ||||
| 172 | L | 43.4 | Very low | 33.8 | Very low | 167 Ų | 167 | 144.7 Ų | 144.7 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | -89.5 | 140.7 | 157.8 | -92.1 | 162.8 | 0 | 0 | 0 | 107.9 | ||||
| 173 | L | 28.8 | Very low | 33.9 | Very low | 152 Ų | 152 | 146 Ų | 146 | 80% | 0.796 | 79% | 0.785 | S | S | * | * | trans | -153.9 | 133.8 | 161.3 | -165.7 | 59.5 | 0 | 0 | 0 | 112.2 | ||||
| 174 | S | 31.8 | Very low | 33.8 | Very low | 104 Ų | 104 | 143.5 Ų | 143.5 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -84.2 | 155.8 | 177.8 | -44 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 175 | H | 31.1 | Very low | 33.1 | Very low | 175 Ų | 175 | 145.5 Ų | 145.5 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | trans | -161.9 | 120.2 | 147.2 | -117.1 | -93.1 | 0 | 0 | 0 | 107.3 | ||||
| 176 | E | 28 | Very low | 33.1 | Very low | 152 Ų | 152 | 148.3 Ų | 148.3 | 71% | 0.71 | 80% | 0.797 | S | S | * | * | 72.7 | 100.6 | 64.8 | -80.3 | -79.5 | 147.8 | 0 | 0 | 114.7 | |||||
| 177 | T | 29.8 | Very low | 33.1 | Very low | 115 Ų | 115 | 147.5 Ų | 147.5 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | 40.5 | 131.6 | 133 | -21.8 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 178 | K | 34 | Very low | 32.7 | Very low | 177 Ų | 177 | 146 Ų | 146 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | trans | 102.2 | 112.3 | 134.7 | -145.7 | 169.4 | -176.3 | 175.5 | 0 | 121.4 | ||||
| 179 | I | 40.3 | Very low | 32.9 | Very low | 154 Ų | 154 | 148.2 Ų | 148.2 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | 41.8 | 128.4 | 135.8 | -48.8 | 170 | 0 | 0 | 0 | 120.8 | ||||
| 180 | G | 29.3 | Very low | 33 | Very low | 56 Ų | 56 | 145.7 Ų | 145.7 | 58% | 0.577 | 78% | 0.783 | S | S | * | * | trans | 171.8 | 93.4 | 155 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 181 | S | 33.7 | Very low | 32.5 | Very low | 100 Ų | 100 | 147.8 Ų | 147.8 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | 48.2 | 99.1 | 91.6 | -169 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 182 | F | 29.3 | Very low | 32.7 | Very low | 206 Ų | 206 | 146.2 Ų | 146.2 | 90% | 0.904 | 78% | 0.782 | S | S | * | * | trans | -136.9 | 102.9 | 153.8 | -76.5 | -72.6 | 0 | 0 | 0 | 110 | ||||
| 183 | L | 34.3 | Very low | 32.8 | Very low | 143 Ų | 143 | 146.8 Ų | 146.8 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | trans | -70 | 148.5 | 167.2 | -67.3 | 163.2 | 0 | 0 | 0 | 109.8 | ||||
| 184 | S | 32 | Very low | 32.9 | Very low | 123 Ų | 123 | 144.4 Ų | 144.4 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | trans | -149.1 | 113.3 | 157.8 | -80.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 185 | N | 29.1 | Very low | 32.9 | Very low | 142 Ų | 142 | 142.7 Ų | 142.7 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | trans | -82.7 | 150.2 | -173.2 | -51.7 | -17.5 | 0 | 0 | 0 | 110.5 | ||||
| 186 | R | 32 | Very low | 33 | Very low | 250 Ų | 250 | 143 Ų | 143 | 94% | 0.943 | 79% | 0.786 | S | S | * | * | trans | -138.8 | 117.7 | 155.7 | -169.5 | 169.8 | 170.1 | -177 | -7 | 110.8 | ||||
| 187 | T | 30.2 | Very low | 33 | Very low | 112 Ų | 112 | 141.5 Ų | 141.5 | 69% | 0.687 | 79% | 0.79 | S | S | * | * | trans | -94.4 | 139.9 | -175.9 | 39.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 188 | L | 37.6 | Very low | 34 | Very low | 168 Ų | 168 | 140.3 Ų | 140.3 | 88% | 0.88 | 79% | 0.785 | S | S | * | * | trans | 53.3 | 123.4 | 137.1 | -55.7 | 172.2 | 0 | 0 | 0 | 120.1 | ||||
| 189 | D | 31.4 | Very low | 34 | Very low | 168 Ų | 168 | 139.8 Ų | 139.8 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | -145.6 | 157.5 | 112 | -168 | 29.2 | 0 | 0 | 0 | 109.1 | |||||
| 190 | G | 32.9 | Very low | 34.2 | Very low | 64 Ų | 64 | 138.9 Ų | 138.9 | 66% | 0.66 | 78% | 0.783 | S | S | * | * | trans | -156 | 159.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 191 | K | 34.6 | Very low | 34.5 | Very low | 204 Ų | 204 | 143.6 Ų | 143.6 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | trans | -155.7 | 97.5 | 176.8 | -159.4 | 162.2 | -177.8 | 173.7 | 0 | 114.8 | ||||
| 192 | D | 33.6 | Very low | 35.3 | Very low | 138 Ų | 138 | 146.6 Ų | 146.6 | 74% | 0.738 | 80% | 0.803 | S | S | * | * | trans | -3.6 | 147.2 | 134.8 | -80.6 | -26.7 | 0 | 0 | 0 | 118 | ||||
| 193 | K | 45.3 | Very low | 36.2 | Very low | 179 Ų | 179 | 145 Ų | 145 | 78% | 0.778 | 80% | 0.8 | S | S | * | * | cis | -168.4 | 155.7 | 16.7 | -104 | -111.5 | -177.2 | -179.5 | 0 | 112.8 | ||||
| 194 | A | 31.1 | Very low | 37 | Very low | 102 Ų | 102 | 147.8 Ų | 147.8 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | 62.3 | 143.2 | 151.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 195 | G | 30.3 | Very low | 37.7 | Very low | 68 Ų | 68 | 145.1 Ų | 145.1 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | cis | 164.5 | 156.9 | -9.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 196 | L | 33.3 | Very low | 38.6 | Very low | 183 Ų | 183 | 144.3 Ų | 144.3 | 96% | 0.958 | 80% | 0.797 | S | S | * | * | trans | 165.7 | 152.6 | 138.3 | -87.9 | 165 | 0 | 0 | 0 | 110.5 | ||||
| 197 | C | 28.3 | Very low | 39.8 | Very low | 120 Ų | 120 | 137.5 Ų | 137.5 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | trans | -113 | -174.9 | 174.3 | -60.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 198 | P | 51.4 | Low | 40.9 | Very low | 90 Ų | 90 | 140.4 Ų | 140.4 | 58% | 0.584 | 79% | 0.791 | S | S | * | * | -116.3 | -178.8 | -51.8 | 36.4 | -23.7 | 0 | 0 | 0 | 109.7 | |||||
| 199 | D | 33.7 | Very low | 41.4 | Very low | 165 Ų | 165 | 141.1 Ų | 141.1 | 88% | 0.882 | 79% | 0.787 | S | S | * | * | trans | -147.2 | 143.9 | 144 | -95.2 | -43.9 | 0 | 0 | 0 | 108.4 | ||||
| 200 | E | 44.4 | Very low | 42.3 | Very low | 136 Ų | 136 | 139.8 Ų | 139.8 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | trans | -96.4 | 169.5 | -175.6 | -3.8 | -76.7 | 144 | 0 | 0 | 111 | ||||
| 201 | D | 36.2 | Very low | 43.8 | Very low | 155 Ų | 155 | 144.1 Ų | 144.1 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | trans | 67.7 | 127.5 | 174.7 | -45.5 | -35.9 | 0 | 0 | 0 | 114.1 | ||||
| 202 | D | 49.8 | Very low | 44.5 | Very low | 162 Ų | 162 | 139.8 Ų | 139.8 | 87% | 0.866 | 78% | 0.781 | S | S | * | * | -158.7 | 168.4 | 52.8 | -133.5 | -29.8 | 0 | 0 | 0 | 113 | |||||
| 203 | M | 48.3 | Very low | 45.7 | Very low | 173 Ų | 173 | 140.6 Ų | 140.6 | 85% | 0.852 | 78% | 0.784 | S | S | * | * | trans | -75.4 | 146 | -170.5 | -75.4 | -74.4 | -179.6 | 0 | 0 | 115.3 | G205 | M203-G205 PolarHBondContact O-N 3.01Å; M203-G205 VanDerWaalsContact O-N 3.08Å | ||
| 204 | E | 52 | Low | 45.9 | Very low | 201 Ų | 201 | 137.8 Ų | 137.8 | 94% | 0.939 | 78% | 0.784 | S | S | * | * | trans | -46.2 | 104.8 | 165.3 | -166.3 | 155.1 | -148.7 | 0 | 0 | 112.2 | ||||
| 205 | G | 46.5 | Very low | 46.6 | Very low | 67 Ų | 67 | 142 Ų | 142 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | trans | -114.8 | 112 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | M203 S207 | M203-G205 PolarHBondContact O-N 3.01Å; M203-G205 VanDerWaalsContact O-N 3.08Å; G205-S207 PolarHBondContact O-N 3.05Å | ||
| 206 | D | 46.9 | Very low | 47.5 | Very low | 125 Ų | 125 | 144.6 Ų | 144.6 | 67% | 0.668 | 79% | 0.788 | S | S | * | * | trans | -47.6 | 129.9 | 170.6 | 165.4 | -60.4 | 0 | 0 | 0 | 111.8 | F208 | D206-F208 WeakPolarHBondContact OD1-CA 3.34Å; D206-F208 WeakPolarHBondContact OD1-CB 3.24Å; D206-F208 PolarHBondContact OD1-N 3.29Å; D206-F208 WeakPolarHBondContact OD2-CB 3.35Å | ||
| 207 | S | 57.2 | Low | 47.8 | Very low | 107 Ų | 107 | 144.8 Ų | 144.8 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | -103.9 | 27 | 176.8 | -161.8 | 0 | 0 | 0 | 0 | 111.8 | G205 | G205-S207 PolarHBondContact O-N 3.05Š| ||
| 208 | F | 53.8 | Low | 48.5 | Very low | 173 Ų | 173 | 148.3 Ų | 148.3 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -91.9 | -14.1 | -175.7 | -176.4 | -109.5 | 0 | 0 | 0 | 112.8 | D206 | D206-F208 WeakPolarHBondContact OD1-CA 3.34Å; D206-F208 WeakPolarHBondContact OD1-CB 3.24Å; D206-F208 PolarHBondContact OD1-N 3.29Å; D206-F208 WeakPolarHBondContact OD2-CB 3.35Å |
| 209 | F | 48.7 | Very low | 48 | Very low | 184 Ų | 184 | 150 Ų | 150 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -112.1 | 7.6 | -175.9 | -120.3 | -85.2 | 0 | 0 | 0 | 115.9 | ||
| 210 | D | 50.6 | Low | 48.3 | Very low | 140 Ų | 140 | 153 Ų | 153 | 75% | 0.749 | 79% | 0.794 | S | S | * | * | trans | -90.7 | -4.1 | -175.4 | -115.7 | -10 | 0 | 0 | 0 | 114.5 | P212 | D210-P212 WeakPolarHBondContact O-CD 3.39Š| ||
| 211 | D | 63.8 | Low | 47.8 | Very low | 154 Ų | 154 | 149.4 Ų | 149.4 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -77.3 | 116.8 | 175.3 | -101 | -17.8 | 0 | 0 | 0 | 111.3 | I213 | D211-I213 PolarHBondContact O-N 3.03Š|
| 212 | P | 49.6 | Very low | 47.8 | Very low | 113 Ų | 113 | 150.1 Ų | 150.1 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 128.9 | -173.1 | 29 | -34.5 | 0 | 0 | 0 | 112.6 | D210 | D210-P212 WeakPolarHBondContact O-CD 3.39Š|
| 213 | I | 59.1 | Low | 47 | Very low | 156 Ų | 156 | 153.6 Ų | 153.6 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 127.8 | 175.9 | -59.7 | 170.1 | 0 | 0 | 0 | 110.9 | D211 K215 | D211-I213 PolarHBondContact O-N 3.03Å; I213-K215 PolarHBondContact O-N 3.46Å |
| 214 | P | 48.5 | Very low | 46.4 | Very low | 119 Ų | 119 | 154.9 Ų | 154.9 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 128.1 | 177.3 | -24.1 | 33.7 | 0 | 0 | 0 | 112.4 | ||
| 215 | K | 47 | Very low | 45.5 | Very low | 190 Ų | 190 | 154.2 Ų | 154.2 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 139.5 | 179.6 | -68 | 174.8 | -176.6 | 167.8 | 0 | 111 | I213 E217 | I213-K215 PolarHBondContact O-N 3.46Å; K215-E217 PolarHBondContact O-N 2.9Å |
| 216 | P | 48.2 | Very low | 45.3 | Very low | 124 Ų | 124 | 157.2 Ų | 157.2 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | trans | -75.3 | 108 | 177.4 | 29.2 | -33.7 | 0 | 0 | 0 | 111.5 | ||||
| 217 | E | 40.4 | Very low | 44.7 | Very low | 187 Ų | 187 | 163 Ų | 163 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | trans | -70.8 | 137.3 | 172.1 | -70.8 | -159.4 | 139.4 | 0 | 0 | 112.4 | K215 | K215-E217 PolarHBondContact O-N 2.9Š| ||
| 218 | K | 42.1 | Very low | 43.7 | Very low | 193 Ų | 193 | 167 Ų | 167 | 84% | 0.839 | 82% | 0.82 | S | S | * | * | trans | -95.4 | 109.7 | 177 | -72.6 | 176 | 179.2 | 171.2 | 0 | 111.2 | ||||
| 219 | T | 40.6 | Very low | 42.9 | Very low | 127 Ų | 127 | 167.5 Ų | 167.5 | 78% | 0.779 | 82% | 0.824 | S | S | * | * | trans | 51.8 | 95.1 | 140.6 | -47.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 220 | Y | 40.5 | Very low | 42 | Very low | 226 Ų | 226 | 163.6 Ų | 163.6 | 89% | 0.886 | 83% | 0.826 | S | S | * | * | trans | -99.9 | 142.9 | 136.6 | -59.6 | -93.7 | 0 | 0 | 0 | 107.3 | ||||
| 221 | G | 33.2 | Very low | 41.3 | Very low | 61 Ų | 61 | 160.8 Ų | 160.8 | 63% | 0.629 | 83% | 0.83 | S | S | * | * | cis | 171.5 | 55.5 | 0.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | R223 | G221-R223 PolarHBondContact O-N 3.43Š| ||
| 222 | L | 36.6 | Very low | 39.8 | Very low | 171 Ų | 171 | 159.4 Ų | 159.4 | 90% | 0.895 | 83% | 0.832 | S | S | * | * | trans | -70.5 | 113.7 | -176 | -173 | 67.2 | 0 | 0 | 0 | 111.7 | ||||
| 223 | R | 32.7 | Very low | 40 | Very low | 234 Ų | 234 | 162.4 Ų | 162.4 | 88% | 0.883 | 84% | 0.841 | S | S | * | * | trans | -67.6 | 138 | -173.5 | -62 | -91.1 | -77.6 | -139.9 | -5.3 | 112.3 | G221 | G221-R223 PolarHBondContact O-N 3.43Š| ||
| 224 | K | 35.5 | Very low | 38.9 | Very low | 201 Ų | 201 | 159.4 Ų | 159.4 | 87% | 0.874 | 84% | 0.84 | S | S | * | * | trans | -127.9 | 138.2 | 160.6 | -74.6 | -175 | 177.4 | 176.9 | 0 | 109.8 | ||||
| 225 | E | 35 | Very low | 38.6 | Very low | 187 Ų | 187 | 159.7 Ų | 159.7 | 87% | 0.874 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 158.8 | 178.8 | -79 | -170.6 | 136 | 0 | 0 | 113.5 | ||
| 226 | P | 40.6 | Very low | 39 | Very low | 129 Ų | 129 | 158.3 Ų | 158.3 | 84% | 0.838 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 144.4 | -173.5 | 33.2 | -35.3 | 0 | 0 | 0 | 113.9 | ||
| 227 | R | 35.1 | Very low | 38.7 | Very low | 246 Ų | 246 | 158.1 Ų | 158.1 | 93% | 0.928 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 152.5 | 172 | -73.7 | 177 | 167 | 167.9 | -5.8 | 112.4 | ||
| 228 | K | 35.8 | Very low | 38.8 | Very low | 192 Ų | 192 | 157.2 Ų | 157.2 | 84% | 0.835 | 85% | 0.848 | S | S | * | * | trans | -123.4 | 122.6 | 155.5 | -92.4 | -174.4 | 174.6 | 179.4 | 0 | 111.5 | ||||
| 229 | Q | 37.2 | Very low | 39.1 | Very low | 183 Ų | 183 | 152.3 Ų | 152.3 | 86% | 0.855 | 84% | 0.844 | S | S | * | * | trans | 36 | 123.3 | 145.7 | -60.4 | 176.3 | -14 | 0 | 0 | 120.9 | ||||
| 230 | A | 30.8 | Very low | 39.4 | Very low | 102 Ų | 102 | 152 Ų | 152 | 84% | 0.843 | 84% | 0.844 | S | S | * | * | 165.6 | 132.3 | 94.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 231 | G | 34.4 | Very low | 39.8 | Very low | 81 Ų | 81 | 146.4 Ų | 146.4 | 84% | 0.835 | 84% | 0.836 | S | S | * | * | trans | 68.8 | 165.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 232 | S | 33.4 | Very low | 40.3 | Very low | 125 Ų | 125 | 152.1 Ų | 152.1 | 87% | 0.874 | 85% | 0.851 | S | S | * | * | cis | -159.5 | 171.3 | -21.8 | -165.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 233 | L | 53.3 | Low | 40.8 | Very low | 176 Ų | 176 | 153.1 Ų | 153.1 | 92% | 0.921 | 85% | 0.848 | S | S | * | * | trans | -80.3 | 133 | -170 | -58.5 | 165.9 | 0 | 0 | 0 | 115 | ||||
| 234 | A | 36.7 | Very low | 41.3 | Very low | 94 Ų | 94 | 147.9 Ų | 147.9 | 78% | 0.777 | 85% | 0.847 | S | S | * | * | trans | -170.9 | 121.2 | 149.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 235 | S | 41.5 | Very low | 41.3 | Very low | 125 Ų | 125 | 141.8 Ų | 141.8 | 87% | 0.874 | 84% | 0.842 | S | S | * | * | 75.8 | 140.3 | 63.6 | -145.8 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 236 | L | 55 | Low | 42.1 | Very low | 161 Ų | 161 | 140.8 Ų | 140.8 | 84% | 0.843 | 84% | 0.841 | S | S | * | * | trans | -79.3 | 167.3 | -154.7 | -61.8 | 168 | 0 | 0 | 0 | 115.6 | ||||
| 237 | S | 42.4 | Very low | 41.8 | Very low | 119 Ų | 119 | 140.2 Ų | 140.2 | 83% | 0.832 | 84% | 0.84 | S | S | * | * | trans | 97.5 | 94.3 | 154.6 | -35.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 238 | D | 42.8 | Very low | 42.1 | Very low | 168 Ų | 168 | 133.6 Ų | 133.6 | 90% | 0.898 | 83% | 0.832 | S | S | * | * | -164.4 | 118.5 | 126.3 | -144.9 | -10.1 | 0 | 0 | 0 | 113 | |||||
| 239 | A | 47.1 | Very low | 42.4 | Very low | 91 Ų | 91 | 132.5 Ų | 132.5 | 75% | 0.752 | 83% | 0.834 | S | S | * | * | trans | -175.1 | 128.9 | 160.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 240 | P | 47 | Very low | 42.2 | Very low | 119 Ų | 119 | 128.5 Ų | 128.5 | 77% | 0.773 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 156.4 | -168 | 33.2 | -36.4 | 0 | 0 | 0 | 114.7 | ||
| 241 | P | 50.5 | Low | 42.5 | Very low | 110 Ų | 110 | 127.6 Ų | 127.6 | 71% | 0.714 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 141.3 | -176.6 | 34.2 | -34.8 | 0 | 0 | 0 | 113.6 | K243 | P241-K243 PolarHBondContact O-N 3.04Š|
| 242 | L | 42.5 | Very low | 42.7 | Very low | 181 Ų | 181 | 128.5 Ų | 128.5 | 95% | 0.948 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 119.4 | 167.5 | -63.9 | 178.3 | 0 | 0 | 0 | 110.1 | ||
| 243 | K | 48.4 | Very low | 43 | Very low | 192 Ų | 192 | 128.5 Ų | 128.5 | 84% | 0.835 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 137.8 | 176.8 | -78.7 | -171.9 | 174 | -176.3 | 0 | 112.3 | P241 | P241-K243 PolarHBondContact O-N 3.04Š|
| 244 | S | 42.1 | Very low | 42.1 | Very low | 123 Ų | 123 | 125.2 Ų | 125.2 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 148.4 | 162 | 174.9 | 0 | 0 | 0 | 0 | 111.8 | ||
| 245 | G | 36.5 | Very low | 42.1 | Very low | 74 Ų | 74 | 128.1 Ų | 128.1 | 76% | 0.763 | 82% | 0.823 | S | S | * | * | trans | -176.4 | 100.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 246 | L | 50.9 | Low | 41.9 | Very low | 165 Ų | 165 | 131.2 Ų | 131.2 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | trans | -71.6 | 140.9 | 165 | -61.3 | 163.9 | 0 | 0 | 0 | 110 | ||||
| 247 | S | 33.9 | Very low | 40.9 | Very low | 117 Ų | 117 | 131.1 Ų | 131.1 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | 174.2 | 111.9 | 139.7 | -81.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 248 | S | 41 | Very low | 41 | Very low | 108 Ų | 108 | 131.3 Ų | 131.3 | 76% | 0.755 | 82% | 0.822 | S | S | * | * | 30.8 | 132 | 127.9 | -56.7 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 249 | L | 42.6 | Very low | 40.8 | Very low | 168 Ų | 168 | 130.3 Ų | 130.3 | 88% | 0.88 | 81% | 0.812 | S | S | * | * | trans | 94.9 | 145.1 | 132 | -108.4 | 85.6 | 0 | 0 | 0 | 122.9 | ||||
| 250 | A | 33.4 | Very low | 40.5 | Very low | 100 Ų | 100 | 131.8 Ų | 131.8 | 83% | 0.826 | 82% | 0.817 | S | S | * | * | trans | 81.9 | 114.4 | 155.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 251 | G | 37.8 | Very low | 40.7 | Very low | 83 Ų | 83 | 134 Ų | 134 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | trans | 133.8 | 49.5 | 140.4 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 252 | A | 37.4 | Very low | 40.8 | Very low | 100 Ų | 100 | 140.6 Ų | 140.6 | 83% | 0.826 | 83% | 0.825 | S | S | * | * | trans | -156.4 | 135.7 | 156.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 253 | P | 40.7 | Very low | 41.1 | Very low | 124 Ų | 124 | 135.1 Ų | 135.1 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | trans | -101.5 | 133.2 | -175.6 | 36 | -31.6 | 0 | 0 | 0 | 115.2 | ||||
| 254 | S | 34.3 | Very low | 41.5 | Very low | 107 Ų | 107 | 131.2 Ų | 131.2 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | 50.7 | 151.3 | 131.2 | -146.9 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 255 | L | 35.5 | Very low | 42.3 | Very low | 156 Ų | 156 | 130.9 Ų | 130.9 | 82% | 0.817 | 79% | 0.793 | S | S | * | * | trans | 74.5 | 134 | 168.8 | -59.6 | 167.4 | 0 | 0 | 0 | 115.4 | ||||
| 256 | K | 38.7 | Very low | 43.3 | Very low | 190 Ų | 190 | 132.9 Ų | 132.9 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | cis | -154.7 | 144.2 | 10.4 | -161.3 | 174.4 | -179.3 | -179.3 | 0 | 111 | ||||
| 257 | D | 34.3 | Very low | 43.6 | Very low | 159 Ų | 159 | 130.6 Ų | 130.6 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | trans | -67.4 | 147.9 | 178.1 | -52.3 | -88 | 0 | 0 | 0 | 113.7 | ||||
| 258 | S | 43.7 | Very low | 44.9 | Very low | 122 Ų | 122 | 132.7 Ų | 132.7 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | -137.8 | 110.8 | 156.7 | -171.8 | 0 | 0 | 0 | 0 | 109.3 | S260 | S258-S260 PolarHBondContact O-N 2.76Š| ||
| 259 | E | 38.3 | Very low | 45.7 | Very low | 148 Ų | 148 | 132.9 Ų | 132.9 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | trans | -65.9 | 122.5 | -178.3 | -177.4 | -178.8 | 172.2 | 0 | 0 | 111 | K261 | E259-K261 HydrophobicContact CG-CB 4.38Å; E259-K261 IonicContact OE1-NZ 2.77Å; E259-K261 PolarHBondContact OE1-NZ 3.37Å | ||
| 260 | S | 42 | Very low | 46.5 | Very low | 122 Ų | 122 | 130.8 Ų | 130.8 | 85% | 0.853 | 76% | 0.755 | S | S | * | * | trans | -131.8 | 135.2 | 152.4 | 97.2 | 0 | 0 | 0 | 0 | 110.2 | S258 | S258-S260 PolarHBondContact O-N 2.76Š| ||
| 261 | K | 50.7 | Low | 47.8 | Very low | 164 Ų | 164 | 133.4 Ų | 133.4 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | trans | -132.7 | 96.8 | -147.4 | 174.5 | -167.4 | -150 | 135.7 | 0 | 109.9 | E259 | E259-K261 HydrophobicContact CG-CB 4.38Å; E259-K261 IonicContact OE1-NZ 2.77Å; E259-K261 PolarHBondContact OE1-NZ 3.37Å | ||
| 262 | R | 51.8 | Low | 48.9 | Very low | 250 Ų | 250 | 135.7 Ų | 135.7 | 94% | 0.943 | 74% | 0.739 | S | S | * | * | trans | -179.7 | 131.9 | 153.4 | -165.1 | 161.6 | -69 | 172.4 | -0.5 | 111.2 | ||||
| 263 | G | 48.8 | Very low | 50.1 | Low | 66 Ų | 66 | 135.6 Ų | 135.6 | 68% | 0.68 | 72% | 0.724 | S | S | * | * | trans | 109.6 | 72.1 | 158 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 264 | N | 56.3 | Low | 51.2 | Low | 110 Ų | 110 | 133.6 Ų | 133.6 | 59% | 0.588 | 71% | 0.713 | S | S | * | * | trans | -164 | 73.9 | 146.8 | -120.2 | -34.1 | 0 | 0 | 0 | 113.4 | L267 | N264-L267 WeakPolarHBondContact OD1-CD1 3.12Å; N264-L267 WeakPolarHBondContact OD1-CG 3.43Å | ||
| 265 | T | 60.8 | Low | 52.6 | Low | 115 Ų | 115 | 134.5 Ų | 134.5 | 71% | 0.706 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -106.1 | -33.8 | 169.2 | 44.5 | 0 | 0 | 0 | 0 | 112.4 | L267 K268 | T265-L267 PolarHBondContact O-N 3.45Å; T265-K268 PolarHBondContact O-N 3.47Å |
| 266 | V | 57.5 | Low | 53.9 | Low | 117 Ų | 117 | 135 Ų | 135 | 71% | 0.709 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -70.6 | -31.5 | -171.5 | -174.1 | 0 | 0 | 0 | 0 | 113.6 | K268 | V266-K268 PolarHBondContact O-N 3.37Å |
| 267 | L | 56.8 | Low | 54.9 | Low | 117 Ų | 117 | 131.8 Ų | 131.8 | 61% | 0.613 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -74.6 | -5.1 | -178.7 | -61.9 | -175 | 0 | 0 | 0 | 114.7 | N264 T265 | N264-L267 WeakPolarHBondContact OD1-CD1 3.12Å; N264-L267 WeakPolarHBondContact OD1-CG 3.43Å; T265-L267 PolarHBondContact O-N 3.45Å |
| 268 | K | 59.8 | Low | 56 | Low | 160 Ų | 160 | 128 Ų | 128 | 70% | 0.696 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -85.3 | -36.7 | 178.8 | -67.4 | -177.1 | -179.6 | 178.9 | 0 | 112.6 | T265 V266 | T265-K268 PolarHBondContact O-N 3.47Å; V266-K268 PolarHBondContact O-N 3.37Å |
| 269 | D | 58.3 | Low | 56.6 | Low | 112 Ų | 112 | 127 Ų | 127 | 60% | 0.599 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -70.6 | -40.2 | -179.9 | -77.6 | -10.5 | 0 | 0 | 0 | 112.3 | K271 L272 I273 | D269-K271 PolarHBondContact O-N 2.89Å; D269-K271 VanDerWaalsContact O-N 3.17Å; D269-L272 WeakPolarHBondContact O-CB 3.41Å; D269-L272 PolarHBondContact O-N 3.44Å; D269-I273 WeakPolarHBondContact O-CG1 3.37Å; D269-I273 PolarHBondContact O-N 2.91Å |
| 270 | L | 60.2 | Low | 57.3 | Low | 124 Ų | 124 | 126.8 Ų | 126.8 | 65% | 0.649 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -59.9 | -32.4 | -178.8 | -164.7 | 67.6 | 0 | 0 | 0 | 112.4 | S274 | L270-S274 PolarHBondContact O-N 3.02Å |
| 271 | K | 59.9 | Low | 57.9 | Low | 155 Ų | 155 | 124.7 Ų | 124.7 | 67% | 0.674 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -71.8 | -36.9 | 177.3 | -159.6 | 170.4 | -173.4 | 177 | 0 | 112.5 | D269 I273 S274 | D269-K271 PolarHBondContact O-N 2.89Å; D269-K271 VanDerWaalsContact O-N 3.17Å; K271-I273 VanDerWaalsContact C-N 3.3Å; K271-I273 PolarHBondContact O-N 2.88Å; K271-S274 PolarHBondContact O-N 3.2Å |
| 272 | L | 61.7 | Low | 58 | Low | 131 Ų | 131 | 125 Ų | 125 | 69% | 0.686 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -68 | -29.2 | 177.3 | -160.8 | 81.8 | 0 | 0 | 0 | 112.6 | D269 | D269-L272 WeakPolarHBondContact O-CB 3.41Å; D269-L272 PolarHBondContact O-N 3.44Å |
| 273 | I | 62.6 | Low | 57.6 | Low | 99 Ų | 99 | 116.2 Ų | 116.2 | 51% | 0.508 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -75.2 | -40 | 179 | -62.1 | 163.3 | 0 | 0 | 0 | 110.9 | D269 K271 D275 K276 | D269-I273 WeakPolarHBondContact O-CG1 3.37Å; D269-I273 PolarHBondContact O-N 2.91Å; K271-I273 VanDerWaalsContact C-N 3.3Å; K271-I273 PolarHBondContact O-N 2.88Å; I273-D275 VanDerWaalsContact C-N 3.34Å; I273-D275 PolarHBondContact O-N 3.18Å; I273-K276 PolarHBondContact O-N 2.96Å; I273-K276 VanDerWaalsContact O-N 3.09Å |
| 274 | S | 63.5 | Low | 57.7 | Low | 81 Ų | 81 | 120.2 Ų | 120.2 | 57% | 0.566 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -55.9 | -45.5 | 178.2 | -172.2 | 0 | 0 | 0 | 0 | 112.4 | L270 K271 K276 I277 | L270-S274 PolarHBondContact O-N 3.02Å; K271-S274 PolarHBondContact O-N 3.2Å; S274-K276 PolarHBondContact O-N 3.32Å; S274-K276 VanDerWaalsContact O-N 3.12Å; S274-I277 PolarHBondContact O-N 3.01Å |
| 275 | D | 63.5 | Low | 57.2 | Low | 126 Ų | 126 | 118.6 Ų | 118.6 | 67% | 0.674 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -67.1 | -12.5 | -178.6 | -64.1 | -22.4 | 0 | 0 | 0 | 113.1 | I273 | I273-D275 VanDerWaalsContact C-N 3.34Å; I273-D275 PolarHBondContact O-N 3.18Å |
| 276 | K | 63.4 | Low | 56.6 | Low | 168 Ų | 168 | 121 Ų | 121 | 73% | 0.73 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -95.4 | -17.9 | -177.9 | -158.2 | 172 | -178.3 | -174.9 | 0 | 114.2 | I273 S274 | I273-K276 PolarHBondContact O-N 2.96Å; I273-K276 VanDerWaalsContact O-N 3.09Å; S274-K276 PolarHBondContact O-N 3.32Å; S274-K276 VanDerWaalsContact O-N 3.12Å |
| 277 | I | 58.2 | Low | 56.3 | Low | 121 Ų | 121 | 121.9 Ų | 121.9 | 62% | 0.621 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -75.9 | -33.3 | 178.9 | -63.9 | 174.3 | 0 | 0 | 0 | 111 | S274 S279 L280 | S274-I277 PolarHBondContact O-N 3.01Å; I277-S279 PolarHBondContact O-N 3.5Å; I277-L280 PolarHBondContact O-N 3.47Å |
| 278 | G | 58.2 | Low | 56.1 | Low | 79 Ų | 79 | 124.4 Ų | 124.4 | 81% | 0.814 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | -3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 279 | S | 57.4 | Low | 55.9 | Low | 102 Ų | 102 | 123.9 Ų | 123.9 | 71% | 0.713 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -3.7 | 176.8 | -171.4 | 0 | 0 | 0 | 0 | 113.9 | I277 G281 | I277-S279 PolarHBondContact O-N 3.5Å; S279-G281 PolarHBondContact O-N 3.24Å |
| 280 | L | 51.7 | Low | 55.7 | Low | 144 Ų | 144 | 129.8 Ų | 129.8 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -93.5 | 84.3 | 175.3 | -63.7 | -179.8 | 0 | 0 | 0 | 109.2 | I277 L282 | I277-L280 PolarHBondContact O-N 3.47Å; L280-L282 PolarHBondContact O-N 3.07Å |
| 281 | G | 56 | Low | 55.5 | Low | 77 Ų | 77 | 129.8 Ų | 129.8 | 79% | 0.794 | 75% | 0.747 | S | S | * | * | trans | -65.7 | 86.7 | -175 | 0 | 0 | 0 | 0 | 0 | 113.9 | S279 | S279-G281 PolarHBondContact O-N 3.24Š| ||
| 282 | L | 51.7 | Low | 55.3 | Low | 172 Ų | 172 | 128.7 Ų | 128.7 | 90% | 0.901 | 75% | 0.748 | S | S | * | * | trans | -94.3 | 91.7 | 154.5 | -63.4 | -178.6 | 0 | 0 | 0 | 106.7 | L280 | L280-L282 PolarHBondContact O-N 3.07Š| ||
| 283 | G | 43.7 | Very low | 55 | Low | 65 Ų | 65 | 130.1 Ų | 130.1 | 67% | 0.67 | 76% | 0.756 | S | S | * | * | trans | -69.8 | 158.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113 | G285 | G283-G285 PolarHBondContact O-N 3.26Š| ||
| 284 | T | 51 | Low | 54.2 | Low | 150 Ų | 150 | 135.2 Ų | 135.2 | 92% | 0.92 | 78% | 0.775 | S | S | * | * | trans | -45.9 | 108.2 | 151.1 | 42.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 285 | G | 46.4 | Very low | 53.3 | Low | 75 Ų | 75 | 137.5 Ų | 137.5 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | trans | -103.4 | 126.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | G283 | G283-G285 PolarHBondContact O-N 3.26Š| ||
| 286 | E | 47.5 | Very low | 52.6 | Low | 166 Ų | 166 | 136 Ų | 136 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | -83.2 | 161.1 | -179.8 | 58 | -131.2 | 125.3 | 0 | 0 | 112.6 | ||||
| 287 | D | 50.6 | Low | 51.3 | Low | 136 Ų | 136 | 134.1 Ų | 134.1 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | 61.8 | 113.8 | 158.5 | -49.7 | -21.6 | 0 | 0 | 0 | 120.4 | ||||
| 288 | D | 53.2 | Low | 50.7 | Low | 169 Ų | 169 | 133.5 Ų | 133.5 | 90% | 0.904 | 79% | 0.79 | S | S | * | * | trans | -159.2 | 99.5 | 136.8 | -105.2 | -26.5 | 0 | 0 | 0 | 109.2 | Y290 | D288-Y290 PolarHBondContact O-N 2.96Š| ||
| 289 | D | 54.8 | Low | 49.8 | Very low | 149 Ų | 149 | 137.9 Ų | 137.9 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | trans | -74.4 | 106.4 | 176.8 | -75 | -51.8 | 0 | 0 | 0 | 110.6 | ||||
| 290 | Y | 55.6 | Low | 49 | Very low | 237 Ų | 237 | 143.3 Ų | 143.3 | 93% | 0.929 | 79% | 0.794 | S | S | * | * | trans | -112 | 90.4 | 170.3 | -140.9 | -87.4 | 0 | 0 | 0 | 111.2 | D288 | D288-Y290 PolarHBondContact O-N 2.96Š| ||
| 291 | V | 54.9 | Low | 48.3 | Very low | 123 Ų | 123 | 141.4 Ų | 141.4 | 75% | 0.745 | 79% | 0.792 | S | S | * | * | trans | -113.7 | 128 | -179.6 | -75.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 292 | D | 54.9 | Low | 47.4 | Very low | 132 Ų | 132 | 143.2 Ų | 143.2 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | trans | 61.8 | 98.5 | 144 | -148.2 | 10.3 | 0 | 0 | 0 | 118.9 | ||||
| 293 | D | 55.7 | Low | 46.6 | Very low | 161 Ų | 161 | 143.5 Ų | 143.5 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | trans | -152.3 | 84.4 | 160.4 | -113.8 | -19.7 | 0 | 0 | 0 | 109.7 | ||||
| 294 | F | 46.3 | Very low | 46.4 | Very low | 206 Ų | 206 | 144.9 Ų | 144.9 | 90% | 0.904 | 77% | 0.774 | S | S | * | * | trans | -171.6 | 80.7 | 136.5 | -121.9 | -99.5 | 0 | 0 | 0 | 113.6 | ||||
| 295 | N | 44.4 | Very low | 46.2 | Very low | 129 Ų | 129 | 146.4 Ų | 146.4 | 69% | 0.69 | 77% | 0.77 | S | S | * | * | trans | -108.5 | 151.5 | 153.9 | -83 | -69.6 | 0 | 0 | 0 | 107.1 | ||||
| 296 | S | 49.2 | Very low | 45.9 | Very low | 94 Ų | 94 | 150.3 Ų | 150.3 | 66% | 0.657 | 77% | 0.772 | S | S | * | * | cis | -176 | 139.2 | -3.8 | -111.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 297 | T | 36.4 | Very low | 45.6 | Very low | 129 Ų | 129 | 147.2 Ų | 147.2 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | -157.6 | 112.8 | 158.5 | 47.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 298 | S | 45.4 | Very low | 45.2 | Very low | 109 Ų | 109 | 149.1 Ų | 149.1 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | cis | 83.9 | 61.9 | 27 | -158.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 299 | H | 38.9 | Very low | 44.6 | Very low | 171 Ų | 171 | 144.2 Ų | 144.2 | 79% | 0.792 | 77% | 0.766 | S | S | * | * | trans | -138.1 | 101.8 | 155.7 | -63.5 | -70.7 | 0 | 0 | 0 | 108.6 | ||||
| 300 | R | 41.4 | Very low | 44.3 | Very low | 216 Ų | 216 | 146.6 Ų | 146.6 | 82% | 0.815 | 77% | 0.773 | S | S | * | * | 44.9 | 103.9 | 100.9 | -80.6 | -176 | 145.2 | -121.8 | -5.2 | 113.3 | |||||
| 301 | S | 36.8 | Very low | 43.8 | Very low | 104 Ų | 104 | 143.8 Ų | 143.8 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | 78 | 144.1 | 91.3 | -144.7 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 302 | E | 36.7 | Very low | 43.5 | Very low | 115 Ų | 115 | 145.7 Ų | 145.7 | 54% | 0.537 | 77% | 0.772 | S | S | . | * | cis | -164.8 | 156.1 | 36.8 | -60.5 | 168.2 | -171.9 | 0 | 0 | 109.9 | ||||
| 303 | K | 35.8 | Very low | 43 | Very low | 177 Ų | 177 | 148.1 Ų | 148.1 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | trans | 69.8 | 156 | 160.1 | -55.5 | 141.5 | -174.6 | 163.4 | 0 | 117.6 | ||||
| 304 | S | 38 | Very low | 42.7 | Very low | 95 Ų | 95 | 149.1 Ų | 149.1 | 66% | 0.664 | 78% | 0.779 | S | S | * | * | cis | -174.9 | 144.3 | -25.3 | 52 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 305 | E | 47.9 | Very low | 42.6 | Very low | 182 Ų | 182 | 146.1 Ų | 146.1 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | trans | 45.2 | 114.3 | 143.8 | -60.6 | 175.3 | 166.4 | 0 | 0 | 122 | ||||
| 306 | I | 39.3 | Very low | 42.3 | Very low | 157 Ų | 157 | 148.2 Ų | 148.2 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | 161 | 104.6 | 121.8 | -142.3 | 73.1 | 0 | 0 | 0 | 107 | |||||
| 307 | S | 42.5 | Very low | 42.1 | Very low | 101 Ų | 101 | 149.1 Ų | 149.1 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | 55.6 | 104.6 | 75.3 | -171.3 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 308 | I | 41.9 | Very low | 42.6 | Very low | 175 Ų | 175 | 149.6 Ų | 149.6 | 90% | 0.897 | 79% | 0.791 | S | S | * | * | trans | 149.1 | 139.6 | 161.8 | -85 | 156.4 | 0 | 0 | 0 | 105.9 | ||||
| 309 | G | 40.5 | Very low | 42.2 | Very low | 66 Ų | 66 | 152.8 Ų | 152.8 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | cis | 176.4 | 140.2 | -1.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 310 | E | 48.3 | Very low | 42.7 | Very low | 200 Ų | 200 | 151.1 Ų | 151.1 | 94% | 0.935 | 79% | 0.789 | S | S | * | * | trans | -89.9 | 111.4 | -168.4 | 176.8 | -177.6 | -152.5 | 0 | 0 | 111.4 | ||||
| 311 | E | 44.7 | Very low | 42.6 | Very low | 177 Ų | 177 | 148.5 Ų | 148.5 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | trans | -163 | 122.8 | 161 | 47.3 | -157 | 180 | 0 | 0 | 111.6 | ||||
| 312 | I | 48.7 | Very low | 43.2 | Very low | 164 Ų | 164 | 150.5 Ų | 150.5 | 84% | 0.841 | 79% | 0.794 | S | S | * | * | trans | -113.5 | 109.9 | 166 | 40.9 | 166.4 | 0 | 0 | 0 | 108 | ||||
| 313 | E | 44.7 | Very low | 43.7 | Very low | 183 Ų | 183 | 152.4 Ų | 152.4 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | trans | -88.9 | 120.1 | 168.6 | -66.4 | -169.5 | 147.9 | 0 | 0 | 108.8 | D315 | E313-D315 PolarHBondContact O-N 2.8Š| ||
| 314 | E | 49.5 | Very low | 44.5 | Very low | 182 Ų | 182 | 150.7 Ų | 150.7 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | trans | -80.1 | 106.8 | 175.7 | -67.2 | -178.6 | 156.8 | 0 | 0 | 110 | ||||
| 315 | D | 43.7 | Very low | 44.8 | Very low | 142 Ų | 142 | 152 Ų | 152 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | trans | -142.3 | 92.5 | 168.3 | -106.8 | -32.8 | 0 | 0 | 0 | 111.2 | E313 | E313-D315 PolarHBondContact O-N 2.8Š| ||
| 316 | L | 38.1 | Very low | 45.1 | Very low | 174 Ų | 174 | 146.8 Ų | 146.8 | 91% | 0.911 | 79% | 0.794 | S | S | * | * | trans | -121.2 | 84 | 163.1 | -83.2 | 175 | 0 | 0 | 0 | 109.6 | V318 | L316-V318 PolarHBondContact O-N 3.41Š| ||
| 317 | S | 44.8 | Very low | 45.5 | Very low | 113 Ų | 113 | 145.6 Ų | 145.6 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | trans | -67.8 | 116.8 | 163.8 | -70.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 318 | V | 46.7 | Very low | 45.9 | Very low | 138 Ų | 138 | 149.5 Ų | 149.5 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | trans | -112.7 | 114.3 | 161.5 | 170.4 | 0 | 0 | 0 | 0 | 107.7 | L316 | L316-V318 PolarHBondContact O-N 3.41Š| ||
| 319 | E | 36.9 | Very low | 46.4 | Very low | 177 Ų | 177 | 145.6 Ų | 145.6 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | trans | -78.8 | 155.5 | 178.5 | -168.6 | 164.4 | -169.6 | 0 | 0 | 111 | ||||
| 320 | I | 50.5 | Low | 46.9 | Very low | 135 Ų | 135 | 146.8 Ų | 146.8 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | trans | -47 | 153.6 | -172.1 | 49.7 | 160.2 | 0 | 0 | 0 | 117.4 | ||||
| 321 | D | 38.3 | Very low | 47.1 | Very low | 161 Ų | 161 | 141.4 Ų | 141.4 | 86% | 0.861 | 75% | 0.748 | S | S | * | * | -151.4 | 132.1 | 129 | -113.6 | -25.9 | 0 | 0 | 0 | 111.6 | |||||
| 322 | D | 49.7 | Very low | 47.3 | Very low | 147 Ų | 147 | 139.9 Ų | 139.9 | 79% | 0.786 | 74% | 0.741 | S | S | * | * | trans | -80 | 121.2 | -175 | -93.5 | -49.5 | 0 | 0 | 0 | 112.4 | ||||
| 323 | I | 47.8 | Very low | 47.5 | Very low | 155 Ų | 155 | 137.6 Ų | 137.6 | 80% | 0.795 | 73% | 0.73 | S | S | * | * | trans | -124.7 | 101.3 | 161.4 | -59 | -177.3 | 0 | 0 | 0 | 110.4 | T325 | I323-T325 PolarHBondContact O-N 3.09Š| ||
| 324 | N | 51.7 | Low | 47.7 | Very low | 141 Ų | 141 | 134.8 Ų | 134.8 | 75% | 0.754 | 72% | 0.717 | S | S | * | * | trans | -69.2 | 109 | 178.9 | -134.4 | -54 | 0 | 0 | 0 | 111.1 | ||||
| 325 | T | 44.9 | Very low | 47.8 | Very low | 122 Ų | 122 | 129.5 Ų | 129.5 | 75% | 0.748 | 70% | 0.699 | S | S | * | * | trans | -147.8 | 44.1 | 167.1 | -44.6 | 0 | 0 | 0 | 0 | 111.9 | I323 | I323-T325 PolarHBondContact O-N 3.09Š| ||
| 326 | S | 53.5 | Low | 48.2 | Very low | 73 Ų | 73 | 128.4 Ų | 128.4 | 51% | 0.51 | 69% | 0.693 | S | S | . | * | trans | -79.8 | 121.2 | 168.4 | 53.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 327 | D | 47.8 | Very low | 48.8 | Very low | 132 Ų | 132 | 126.7 Ų | 126.7 | 71% | 0.706 | 68% | 0.684 | S | S | * | * | S | Bend | trans | 171.9 | -9.9 | 145.3 | -98.1 | -11.1 | 0 | 0 | 0 | 114 | ||
| 328 | K | 51.3 | Low | 49 | Very low | 183 Ų | 183 | 125 Ų | 125 | 80% | 0.796 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -104.6 | -13.9 | -175.5 | -68.7 | 179 | -178.4 | 171.3 | 0 | 116 | ||
| 329 | T | 53 | Low | 49.4 | Very low | 93 Ų | 93 | 124 Ų | 124 | 57% | 0.571 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -98.2 | -28.7 | -176 | 48.1 | 0 | 0 | 0 | 0 | 113.4 | Q332 L333 | T329-Q332 PolarHBondContact O-N 3.12Å; T329-L333 PolarHBondContact O-N 3.37Å |
| 330 | I | 50.6 | Low | 49.8 | Very low | 91 Ų | 91 | 118.8 Ų | 118.8 | 47% | 0.467 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -64.9 | -43.8 | -178.4 | -64.9 | 171.5 | 0 | 0 | 0 | 110.9 | Q332 L333 E334 | I330-Q332 VanDerWaalsContact C-N 3.3Å; I330-Q332 PolarHBondContact O-N 3.39Å; I330-L333 PolarHBondContact O-N 2.61Å; I330-E334 PolarHBondContact O-N 3.38Å; I330-E334 VanDerWaalsContact O-N 3.09Å |
| 331 | T | 51.4 | Low | 49.6 | Very low | 87 Ų | 87 | 115.8 Ų | 115.8 | 53% | 0.534 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -64.8 | -28.7 | -178.7 | 51.4 | 0 | 0 | 0 | 0 | 113.9 | C335 | T331-C335 PolarHBondContact O-N 3.2Å |
| 332 | Q | 49.2 | Very low | 50 | Low | 145 Ų | 145 | 115.4 Ų | 115.4 | 68% | 0.678 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -77 | -33.9 | 176 | -68.9 | -165 | -23.9 | 0 | 0 | 112.6 | T329 I330 | T329-Q332 PolarHBondContact O-N 3.12Å; I330-Q332 VanDerWaalsContact C-N 3.3Å; I330-Q332 PolarHBondContact O-N 3.39Å |
| 333 | L | 52.8 | Low | 50 | Low | 115 Ų | 115 | 116.9 Ų | 116.9 | 60% | 0.602 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -74 | -38.9 | 177.3 | -82.6 | 161.2 | 0 | 0 | 0 | 112.5 | T329 I330 C335 L336 L337 | T329-L333 PolarHBondContact O-N 3.37Å; I330-L333 PolarHBondContact O-N 2.61Å; L333-C335 VanDerWaalsContact C-N 3.27Å; L333-C335 PolarHBondContact O-N 3Å; L333-L336 PolarHBondContact O-N 2.85Å; L333-L337 PolarHBondContact O-N 3.33Å |
| 334 | E | 50.1 | Low | 49.8 | Very low | 125 Ų | 125 | 118.9 Ų | 118.9 | 58% | 0.584 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -63.3 | -32.9 | 174.2 | -71.2 | -171.2 | 147.4 | 0 | 0 | 112.8 | I330 L336 L337 S338 | I330-E334 PolarHBondContact O-N 3.38Å; I330-E334 VanDerWaalsContact O-N 3.09Å; E334-L336 VanDerWaalsContact C-N 3.33Å; E334-L336 PolarHBondContact O-N 2.8Å; E334-L337 PolarHBondContact O-N 3.48Å; E334-S338 PolarHBondContact O-N 3.05Å; E334-S338 VanDerWaalsContact O-N 3.13Å; E334-S338 PolarHBondContact O-OG 3.46Å |
| 335 | C | 50.3 | Low | 49.7 | Very low | 70 Ų | 70 | 121.6 Ų | 121.6 | 47% | 0.473 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -64.1 | -37.2 | 177.9 | -160.1 | 0 | 0 | 0 | 0 | 112.2 | T331 L333 | T331-C335 PolarHBondContact O-N 3.2Å; L333-C335 VanDerWaalsContact C-N 3.27Å; L333-C335 PolarHBondContact O-N 3Å |
| 336 | L | 52 | Low | 49.9 | Very low | 120 Ų | 120 | 123.2 Ų | 123.2 | 63% | 0.628 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -72.9 | -37.1 | 176 | -67 | 173.3 | 0 | 0 | 0 | 112.2 | L333 E334 S338 I339 | L333-L336 PolarHBondContact O-N 2.85Å; E334-L336 VanDerWaalsContact C-N 3.33Å; E334-L336 PolarHBondContact O-N 2.8Å; L336-S338 VanDerWaalsContact C-N 3.33Å; L336-S338 PolarHBondContact O-N 3.08Å; L336-I339 HydrophobicContact CD2-CD1 4.38Å; L336-I339 PolarHBondContact O-N 3.49Å |
| 337 | L | 51.8 | Low | 49.7 | Very low | 137 Ų | 137 | 126.7 Ų | 126.7 | 72% | 0.717 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -64.1 | -34.9 | 177 | -106.9 | 137.8 | 0 | 0 | 0 | 112.9 | L333 E334 I339 G340 | L333-L337 PolarHBondContact O-N 3.33Å; E334-L337 PolarHBondContact O-N 3.48Å; L337-I339 VanDerWaalsContact C-N 3.28Å; L337-I339 PolarHBondContact O-N 3.2Å; L337-G340 PolarHBondContact O-N 3.24Å |
| 338 | S | 48.1 | Very low | 49.7 | Very low | 78 Ų | 78 | 124.9 Ų | 124.9 | 55% | 0.545 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -65.8 | -27.1 | 176 | -72.9 | 0 | 0 | 0 | 0 | 114 | E334 L336 A341 | E334-S338 PolarHBondContact O-N 3.05Å; E334-S338 VanDerWaalsContact O-N 3.13Å; E334-S338 PolarHBondContact O-OG 3.46Å; L336-S338 VanDerWaalsContact C-N 3.33Å; L336-S338 PolarHBondContact O-N 3.08Å; S338-A341 PolarHBondContact O-N 3.34Å |
| 339 | I | 56.5 | Low | 49.3 | Very low | 118 Ų | 118 | 123.9 Ų | 123.9 | 61% | 0.605 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -68.4 | -38.2 | -179.4 | -63 | 170.2 | 0 | 0 | 0 | 110.8 | L336 L337 A341 | L336-I339 HydrophobicContact CD2-CD1 4.38Å; L336-I339 PolarHBondContact O-N 3.49Å; L337-I339 VanDerWaalsContact C-N 3.28Å; L337-I339 PolarHBondContact O-N 3.2Å; I339-A341 VanDerWaalsContact C-N 3.32Å; I339-A341 PolarHBondContact O-N 3.3Å |
| 340 | G | 44.5 | Very low | 48.8 | Very low | 66 Ų | 66 | 126.9 Ų | 126.9 | 68% | 0.68 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -68.8 | -25.4 | 178 | 0 | 0 | 0 | 0 | 0 | 114.6 | L337 | L337-G340 PolarHBondContact O-N 3.24Å |
| 341 | A | 46.2 | Very low | 48.4 | Very low | 72 Ų | 72 | 135.4 Ų | 135.4 | 60% | 0.595 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -79.9 | -15.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | S338 I339 | S338-A341 PolarHBondContact O-N 3.34Å; I339-A341 VanDerWaalsContact C-N 3.32Å; I339-A341 PolarHBondContact O-N 3.3Å |
| 342 | L | 46.3 | Very low | 48.2 | Very low | 153 Ų | 153 | 137.8 Ų | 137.8 | 80% | 0.801 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -6.9 | -173.2 | -76.3 | 167.8 | 0 | 0 | 0 | 114.9 | ||
| 343 | H | 50.3 | Low | 48.2 | Very low | 178 Ų | 178 | 137.4 Ų | 137.4 | 82% | 0.824 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | 22.9 | -176.3 | -157.9 | -88.6 | 0 | 0 | 0 | 115 | ||
| 344 | F | 44.5 | Very low | 47.9 | Very low | 198 Ų | 198 | 138.7 Ų | 138.7 | 87% | 0.868 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -133.4 | 16.1 | 173.3 | -146.3 | -96.9 | 0 | 0 | 0 | 115.1 | ||
| 345 | K | 48.4 | Very low | 47.8 | Very low | 197 Ų | 197 | 139.5 Ų | 139.5 | 86% | 0.857 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -128.5 | 53 | -179.8 | -87.9 | 177.4 | 177.1 | 173.3 | 0 | 113 | ||
| 346 | N | 48.5 | Very low | 47.7 | Very low | 156 Ų | 156 | 143.8 Ų | 143.8 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | trans | -157.5 | 78.3 | 160.5 | -145.5 | -15.6 | 0 | 0 | 0 | 113.7 | ||||
| 347 | T | 49.8 | Very low | 47.4 | Very low | 147 Ų | 147 | 145.4 Ų | 145.4 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -170.2 | 75.9 | 151.5 | -62 | 0 | 0 | 0 | 0 | 108.1 | ||
| 348 | A | 47.8 | Very low | 47 | Very low | 94 Ų | 94 | 146 Ų | 146 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -167.5 | 55.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 349 | D | 42.7 | Very low | 47 | Very low | 162 Ų | 162 | 151.2 Ų | 151.2 | 87% | 0.866 | 82% | 0.815 | S | S | * | * | trans | -166.3 | 152.5 | 153.2 | -102.3 | -36.8 | 0 | 0 | 0 | 108.9 | ||||
| 350 | I | 44.2 | Very low | 46.2 | Very low | 156 Ų | 156 | 154 Ų | 154 | 80% | 0.8 | 83% | 0.832 | S | S | * | * | trans | 75.5 | 80 | -164.8 | -47.9 | 160.4 | 0 | 0 | 0 | 111.1 | ||||
| 351 | F | 41 | Very low | 46.3 | Very low | 269 Ų | 269 | 162 Ų | 162 | 100% | 1.18 | 85% | 0.846 | S | S | * | * | -156.8 | 0 | 65.8 | -115 | -77.7 | 0 | 0 | 0 | 113.1 |
Retrieved 351 of 351 residues in 340.5 ms
(Link to these results)