| 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 | 59.2 | Low | 62.6 | Low | 218 Ų | 218 | 111.5 Ų | 111.5 | 100% | 1.074 | 59% | 0.59 | S | S | * | * | 0 | -38.9 | 0 | -61.6 | -142.6 | -91.3 | 0 | 0 | 112.7 | F3 V4 | M1-F3 PolarHBondContact O-N 3.26Å; M1-V4 PolarHBondContact O-N 3.38Å | |||
| 2 | L | 62.9 | Low | 62.1 | Low | 146 Ų | 146 | 110.8 Ų | 110.8 | 76% | 0.764 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -58.1 | -36.8 | 174.8 | -104.4 | 135.1 | 0 | 0 | 0 | 115.2 | V4 L6 | L2-V4 PolarHBondContact O-N 3.41Å; L2-L6 PolarHBondContact O-N 3.49Å |
| 3 | F | 62.4 | Low | 61.6 | Low | 180 Ų | 180 | 111.2 Ų | 111.2 | 79% | 0.789 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -65.2 | -33.7 | -179.6 | -93.9 | -89.3 | 0 | 0 | 0 | 114.4 | M1 I7 | M1-F3 PolarHBondContact O-N 3.26Å; F3-I7 WeakPolarHBondContact O-CG1 3.36Å; F3-I7 PolarHBondContact O-N 2.98Å |
| 4 | V | 67.6 | Low | 61.3 | Low | 95 Ų | 95 | 107.6 Ų | 107.6 | 58% | 0.576 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -74.6 | -39.4 | -178 | -179 | 0 | 0 | 0 | 0 | 110.9 | M1 L2 L6 I7 L8 | M1-V4 PolarHBondContact O-N 3.38Å; L2-V4 PolarHBondContact O-N 3.41Å; V4-L6 PolarHBondContact O-N 3Å; V4-I7 PolarHBondContact O-N 3.07Å; V4-L8 HydrophobicContact CG1-CD1 4.09Å; V4-L8 WeakPolarHBondContact O-CG 3.35Å; V4-L8 PolarHBondContact O-N 2.63Å; V4-L8 VanDerWaalsContact O-N 3.07Å |
| 5 | A | 67.5 | Low | 61 | Low | 53 Ų | 53 | 110.2 Ų | 110.2 | 44% | 0.438 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.3 | -40.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L8 I9 | A5-L8 PolarHBondContact O-N 3.45Å; A5-I9 WeakPolarHBondContact O-CD1 3.23Å; A5-I9 VanDerWaalsContact O-CG1 3.25Å; A5-I9 WeakPolarHBondContact O-CG1 3.47Å; A5-I9 PolarHBondContact O-N 3.31Å |
| 6 | L | 64.7 | Low | 60.8 | Low | 98 Ų | 98 | 109.6 Ų | 109.6 | 51% | 0.513 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.3 | -42 | 179 | -123.2 | 142.9 | 0 | 0 | 0 | 112.2 | L2 V4 I9 I10 | L2-L6 PolarHBondContact O-N 3.49Å; V4-L6 PolarHBondContact O-N 3Å; L6-I9 PolarHBondContact O-N 3.36Å; L6-I10 HydrophobicContact CD2-CD1 3.85Å; L6-I10 HydrophobicContact CD2-CG1 4.46Å; L6-I10 WeakPolarHBondContact O-CB 3.5Å; L6-I10 WeakPolarHBondContact O-CD1 3.37Å; L6-I10 VanDerWaalsContact O-CG1 3.23Å; L6-I10 WeakPolarHBondContact O-CG1 3.48Å; L6-I10 PolarHBondContact O-N 3.43Å |
| 7 | I | 64.3 | Low | 60.6 | Low | 103 Ų | 103 | 108.1 Ų | 108.1 | 53% | 0.528 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.9 | -41.2 | 175.8 | -66.2 | 167.9 | 0 | 0 | 0 | 111.1 | F3 V4 S11 | F3-I7 WeakPolarHBondContact O-CG1 3.36Å; F3-I7 PolarHBondContact O-N 2.98Å; V4-I7 PolarHBondContact O-N 3.07Å; I7-S11 VanDerWaalsContact O-CB 3.32Å; I7-S11 WeakPolarHBondContact O-CB 3.25Å; I7-S11 PolarHBondContact O-N 3Å; I7-S11 PolarHBondContact O-OG 3.45Å |
| 8 | L | 61.3 | Low | 60.7 | Low | 104 Ų | 104 | 107.1 Ų | 107.1 | 55% | 0.545 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.7 | -43.2 | 177.2 | -75.6 | 167 | 0 | 0 | 0 | 112.2 | V4 A5 S11 L12 | V4-L8 HydrophobicContact CG1-CD1 4.09Å; V4-L8 WeakPolarHBondContact O-CG 3.35Å; V4-L8 PolarHBondContact O-N 2.63Å; V4-L8 VanDerWaalsContact O-N 3.07Å; A5-L8 PolarHBondContact O-N 3.45Å; L8-S11 PolarHBondContact O-N 3.37Å; L8-L12 WeakPolarHBondContact O-CG 3.41Å; L8-L12 PolarHBondContact O-N 3.39Å |
| 9 | I | 60.1 | Low | 60.4 | Low | 89 Ų | 89 | 106.7 Ų | 106.7 | 46% | 0.456 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.9 | -47 | 177.5 | -65.8 | 163.6 | 0 | 0 | 0 | 110.8 | A5 L6 S11 L12 H13 | A5-I9 WeakPolarHBondContact O-CD1 3.23Å; A5-I9 VanDerWaalsContact O-CG1 3.25Å; A5-I9 WeakPolarHBondContact O-CG1 3.47Å; A5-I9 PolarHBondContact O-N 3.31Å; L6-I9 PolarHBondContact O-N 3.36Å; I9-S11 VanDerWaalsContact C-N 3.28Å; I9-S11 PolarHBondContact O-N 2.68Å; I9-L12 PolarHBondContact O-N 2.89Å; I9-H13 PolarHBondContact O-N 3.36Å |
| 10 | I | 59.4 | Low | 61 | Low | 95 Ų | 95 | 103.7 Ų | 103.7 | 49% | 0.487 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -59.3 | -43.5 | 176.4 | -67.5 | 164.7 | 0 | 0 | 0 | 110.2 | L6 H13 S14 | L6-I10 HydrophobicContact CD2-CD1 3.85Å; L6-I10 HydrophobicContact CD2-CG1 4.46Å; L6-I10 WeakPolarHBondContact O-CB 3.5Å; L6-I10 WeakPolarHBondContact O-CD1 3.37Å; L6-I10 VanDerWaalsContact O-CG1 3.23Å; L6-I10 WeakPolarHBondContact O-CG1 3.48Å; L6-I10 PolarHBondContact O-N 3.43Å; I10-H13 PolarHBondContact O-N 2.89Å; I10-S14 WeakPolarHBondContact O-CB 3.32Å; I10-S14 PolarHBondContact O-N 3.49Å; I10-S14 PolarHBondContact O-OG 2.98Å |
| 11 | S | 59.2 | Low | 62 | Low | 45 Ų | 45 | 100.5 Ų | 100.5 | 32% | 0.315 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.9 | -50.2 | -179.5 | -57.2 | 0 | 0 | 0 | 0 | 110.8 | I7 L8 I9 H13 S14 F15 | I7-S11 VanDerWaalsContact O-CB 3.32Å; I7-S11 WeakPolarHBondContact O-CB 3.25Å; I7-S11 PolarHBondContact O-N 3Å; I7-S11 PolarHBondContact O-OG 3.45Å; L8-S11 PolarHBondContact O-N 3.37Å; I9-S11 VanDerWaalsContact C-N 3.28Å; I9-S11 PolarHBondContact O-N 2.68Å; S11-H13 PolarHBondContact O-N 3.16Å; S11-S14 WeakPolarHBondContact O-CB 3.1Å; S11-S14 PolarHBondContact O-N 3.47Å; S11-S14 VanDerWaalsContact O-N 3.16Å; S11-F15 WeakPolarHBondContact O-CD2 2.89Å; S11-F15 PolarHBondContact O-N 2.98Å |
| 12 | L | 56.6 | Low | 63.2 | Low | 103 Ų | 103 | 95 Ų | 95 | 54% | 0.539 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.1 | -50.2 | 177.9 | -74.2 | 161.4 | 0 | 0 | 0 | 111.9 | L8 I9 S14 F15 D16 | L8-L12 WeakPolarHBondContact O-CG 3.41Å; L8-L12 PolarHBondContact O-N 3.39Å; I9-L12 PolarHBondContact O-N 2.89Å; L12-S14 VanDerWaalsContact C-N 3.27Å; L12-S14 PolarHBondContact O-N 3Å; L12-F15 PolarHBondContact O-N 2.98Å; L12-F15 VanDerWaalsContact O-N 3.09Å; L12-D16 PolarHBondContact O-N 3.31Å |
| 13 | H | 55.2 | Low | 64.2 | Low | 117 Ų | 117 | 90.1 Ų | 90.1 | 54% | 0.542 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.4 | -34.8 | 177.6 | -65.6 | -7.6 | 0 | 0 | 0 | 112.7 | I9 I10 S11 C17 | I9-H13 PolarHBondContact O-N 3.36Å; I10-H13 PolarHBondContact O-N 2.89Å; S11-H13 PolarHBondContact O-N 3.16Å; H13-C17 WeakPolarHBondContact O-CB 3.33Å; H13-C17 PolarHBondContact O-N 3.06Å; H13-C17 PolarHBondContact O-SG 3.28Å |
| 14 | S | 57.8 | Low | 65.4 | Low | 60 Ų | 60 | 82.9 Ų | 82.9 | 42% | 0.42 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.7 | -41 | 174.8 | -53.5 | 0 | 0 | 0 | 0 | 111.3 | I10 S11 L12 V18 | I10-S14 WeakPolarHBondContact O-CB 3.32Å; I10-S14 PolarHBondContact O-N 3.49Å; I10-S14 PolarHBondContact O-OG 2.98Å; S11-S14 WeakPolarHBondContact O-CB 3.1Å; S11-S14 PolarHBondContact O-N 3.47Å; S11-S14 VanDerWaalsContact O-N 3.16Å; L12-S14 VanDerWaalsContact C-N 3.27Å; L12-S14 PolarHBondContact O-N 3Å; S14-V18 VanDerWaalsContact O-CB 3.29Å; S14-V18 WeakPolarHBondContact O-CB 3.29Å; S14-V18 WeakPolarHBondContact O-CG2 3.4Å; S14-V18 PolarHBondContact O-N 3.09Å |
| 15 | F | 57.4 | Low | 66.5 | Low | 147 Ų | 147 | 84.2 Ų | 84.2 | 65% | 0.645 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -67.7 | -46.5 | 178.9 | -72.5 | -67.2 | 0 | 0 | 0 | 112 | S11 L12 C17 V18 F19 | S11-F15 WeakPolarHBondContact O-CD2 2.89Å; S11-F15 PolarHBondContact O-N 2.98Å; L12-F15 PolarHBondContact O-N 2.98Å; L12-F15 VanDerWaalsContact O-N 3.09Å; F15-C17 PolarHBondContact O-N 3.32Å; F15-V18 PolarHBondContact O-N 2.93Å; F15-F19 VanDerWaalsContact O-CB 3.29Å; F15-F19 WeakPolarHBondContact O-CB 3.22Å; F15-F19 PolarHBondContact O-N 3.32Å |
| 16 | D | 56.6 | Low | 67.6 | Low | 101 Ų | 101 | 84.6 Ų | 84.6 | 54% | 0.54 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.6 | -43.9 | 179.5 | -63.2 | -33.7 | 0 | 0 | 0 | 111.2 | L12 F19 T20 | L12-D16 PolarHBondContact O-N 3.31Å; D16-F19 PolarHBondContact O-N 3.05Å; D16-T20 WeakPolarHBondContact O-CG2 3.38Å; D16-T20 PolarHBondContact O-N 3.49Å; D16-T20 PolarHBondContact O-OG1 3.11Å |
| 17 | C | 58.9 | Low | 69 | Low | 83 Ų | 83 | 80.4 Ų | 80.4 | 56% | 0.561 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -66.4 | -39.3 | 176 | -70.5 | 0 | 0 | 0 | 0 | 113.3 | H13 F15 T20 A21 | H13-C17 WeakPolarHBondContact O-CB 3.33Å; H13-C17 PolarHBondContact O-N 3.06Å; H13-C17 PolarHBondContact O-SG 3.28Å; F15-C17 PolarHBondContact O-N 3.32Å; C17-T20 WeakPolarHBondContact CA-OG1 3.39Å; C17-T20 PolarHBondContact O-OG1 3.17Å; C17-A21 VanDerWaalsContact O-CB 3.22Å; C17-A21 WeakPolarHBondContact O-CB 3.38Å; C17-A21 PolarHBondContact O-N 3.49Å |
| 18 | V | 61.3 | Low | 70.4 | Confident | 91 Ų | 91 | 78 Ų | 78 | 55% | 0.552 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -68.2 | -40 | 178.8 | 168 | 0 | 0 | 0 | 0 | 110.9 | S14 F15 A21 Q22 | S14-V18 VanDerWaalsContact O-CB 3.29Å; S14-V18 WeakPolarHBondContact O-CB 3.29Å; S14-V18 WeakPolarHBondContact O-CG2 3.4Å; S14-V18 PolarHBondContact O-N 3.09Å; F15-V18 PolarHBondContact O-N 2.93Å; V18-A21 PolarHBondContact O-N 3.04Å; V18-Q22 PolarHBondContact O-N 3.5Å |
| 19 | F | 55.3 | Low | 72 | Confident | 100 Ų | 100 | 80 Ų | 80 | 44% | 0.439 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.8 | -51.4 | 179.7 | -171.2 | -92.9 | 0 | 0 | 0 | 111.3 | F15 D16 A21 Q22 E23 | F15-F19 VanDerWaalsContact O-CB 3.29Å; F15-F19 WeakPolarHBondContact O-CB 3.22Å; F15-F19 PolarHBondContact O-N 3.32Å; D16-F19 PolarHBondContact O-N 3.05Å; F19-A21 VanDerWaalsContact C-N 3.32Å; F19-A21 PolarHBondContact O-N 3.47Å; F19-Q22 PolarHBondContact O-N 3.12Å; F19-Q22 VanDerWaalsContact O-N 3.12Å; F19-E23 HydrophobicContact CD1-CG 4.3Å; F19-E23 WeakPolarHBondContact CD1-OE2 3.2Å; F19-E23 HydrophobicContact CE1-CG 3.94Å; F19-E23 WeakPolarHBondContact CE1-OE1 3.29Å; F19-E23 WeakPolarHBondContact CE1-OE2 3.45Å; F19-E23 HydrophobicContact CZ-CG 4.29Å; F19-E23 VanDerWaalsContact CZ-OE1 3.31Å; F19-E23 WeakPolarHBondContact CZ-OE1 3.36Å; F19-E23 PolarHBondContact O-N 3.07Å |
| 20 | T | 72.9 | Confident | 73.7 | Confident | 46 Ų | 46 | 77.9 Ų | 77.9 | 28% | 0.282 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.5 | -38.8 | 176.5 | 49.2 | 0 | 0 | 0 | 0 | 112.6 | D16 C17 Q22 T24 | D16-T20 WeakPolarHBondContact O-CG2 3.38Å; D16-T20 PolarHBondContact O-N 3.49Å; D16-T20 PolarHBondContact O-OG1 3.11Å; C17-T20 WeakPolarHBondContact CA-OG1 3.39Å; C17-T20 PolarHBondContact O-OG1 3.17Å; T20-Q22 VanDerWaalsContact C-N 3.34Å; T20-Q22 PolarHBondContact O-N 3.37Å; T20-T24 WeakPolarHBondContact O-CB 3.34Å; T20-T24 PolarHBondContact O-N 3.03Å; T20-T24 PolarHBondContact O-OG1 2.82Å |
| 21 | A | 81 | Confident | 75.4 | Confident | 36 Ų | 36 | 73.4 Ų | 73.4 | 30% | 0.298 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.7 | -34.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | C17 V18 F19 R25 | C17-A21 VanDerWaalsContact O-CB 3.22Å; C17-A21 WeakPolarHBondContact O-CB 3.38Å; C17-A21 PolarHBondContact O-N 3.49Å; V18-A21 PolarHBondContact O-N 3.04Å; F19-A21 VanDerWaalsContact C-N 3.32Å; F19-A21 PolarHBondContact O-N 3.47Å; A21-R25 WeakPolarHBondContact O-CG 2.97Å; A21-R25 PolarHBondContact O-N 2.91Å; A21-R25 VanDerWaalsContact O-N 3.11Å; A21-R25 PolarHBondContact O-NH1 3.22Å |
| 22 | Q | 84.9 | Confident | 77.2 | Confident | 103 Ų | 103 | 75.6 Ų | 75.6 | 48% | 0.481 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -71.4 | -46.2 | 176.6 | -175.3 | 140.2 | -29.6 | 0 | 0 | 111.9 | V18 F19 T20 T24 R25 D26 | V18-Q22 PolarHBondContact O-N 3.5Å; F19-Q22 PolarHBondContact O-N 3.12Å; F19-Q22 VanDerWaalsContact O-N 3.12Å; T20-Q22 VanDerWaalsContact C-N 3.34Å; T20-Q22 PolarHBondContact O-N 3.37Å; Q22-T24 VanDerWaalsContact C-N 3.25Å; Q22-T24 PolarHBondContact O-N 3.03Å; Q22-R25 PolarHBondContact O-N 3.31Å; Q22-R25 VanDerWaalsContact O-N 3.17Å; Q22-D26 PolarHBondContact O-N 2.75Å |
| 23 | E | 84.2 | Confident | 79 | Confident | 43 Ų | 43 | 76.8 Ų | 76.8 | 20% | 0.201 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.2 | -38.7 | 175.5 | -67.2 | -178 | 134.3 | 0 | 0 | 111.7 | F19 D26 A27 M148 | F19-E23 HydrophobicContact CD1-CG 4.3Å; F19-E23 WeakPolarHBondContact CD1-OE2 3.2Å; F19-E23 HydrophobicContact CE1-CG 3.94Å; F19-E23 WeakPolarHBondContact CE1-OE1 3.29Å; F19-E23 WeakPolarHBondContact CE1-OE2 3.45Å; F19-E23 HydrophobicContact CZ-CG 4.29Å; F19-E23 VanDerWaalsContact CZ-OE1 3.31Å; F19-E23 WeakPolarHBondContact CZ-OE1 3.36Å; F19-E23 PolarHBondContact O-N 3.07Å; E23-D26 PolarHBondContact O-N 2.96Å; E23-A27 WeakPolarHBondContact O-CB 3.42Å; E23-A27 PolarHBondContact O-N 3.02Å; E23-M148 HydrophobicContact CB-CE 3.66Å; E23-M148 HydrophobicContact CB-SD 4.42Å; E23-M148 HydrophobicContact CG-CE 4.48Å |
| 24 | T | 87.1 | Confident | 80.9 | Confident | 28 Ų | 28 | 72.5 Ų | 72.5 | 17% | 0.172 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.1 | -51.6 | 173.7 | -57.5 | 0 | 0 | 0 | 0 | 110.8 | T20 Q22 D26 A27 E28 | T20-T24 WeakPolarHBondContact O-CB 3.34Å; T20-T24 PolarHBondContact O-N 3.03Å; T20-T24 PolarHBondContact O-OG1 2.82Å; Q22-T24 VanDerWaalsContact C-N 3.25Å; Q22-T24 PolarHBondContact O-N 3.03Å; T24-D26 VanDerWaalsContact C-N 3.26Å; T24-D26 PolarHBondContact O-N 2.71Å; T24-A27 PolarHBondContact O-N 2.76Å; T24-E28 HydrophobicContact CG2-CG 4.32Å; T24-E28 VanDerWaalsContact O-CG 3.3Å; T24-E28 WeakPolarHBondContact O-CG 3.29Å; T24-E28 PolarHBondContact O-N 2.96Å |
| 25 | R | 90.7 | Very high | 82.6 | Confident | 124 Ų | 124 | 69.7 Ų | 69.7 | 47% | 0.468 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.7 | -37 | 178 | -74.4 | -173 | -60 | -90 | 2.3 | 113 | A21 Q22 R29 | A21-R25 WeakPolarHBondContact O-CG 2.97Å; A21-R25 PolarHBondContact O-N 2.91Å; A21-R25 VanDerWaalsContact O-N 3.11Å; A21-R25 PolarHBondContact O-NH1 3.22Å; Q22-R25 PolarHBondContact O-N 3.31Å; Q22-R25 VanDerWaalsContact O-N 3.17Å; R25-R29 WeakPolarHBondContact O-CB 3.15Å; R25-R29 PolarHBondContact O-N 3.07Å |
| 26 | D | 91.3 | Very high | 84.3 | Confident | 60 Ų | 60 | 66.4 Ų | 66.4 | 32% | 0.321 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -69 | -42.2 | 177.7 | -70.2 | -20.7 | 0 | 0 | 0 | 111 | Q22 E23 T24 R29 E30 | Q22-D26 PolarHBondContact O-N 2.75Å; E23-D26 PolarHBondContact O-N 2.96Å; T24-D26 VanDerWaalsContact C-N 3.26Å; T24-D26 PolarHBondContact O-N 2.71Å; D26-R29 PolarHBondContact O-N 3.3Å; D26-R29 IonicContact OD1-CZ 2.71Å; D26-R29 IonicContact OD1-NH1 3.75Å; D26-R29 PolarHBondContact OD1-NH1 2.98Å; D26-R29 IonicContact OD1-NH2 2.76Å; D26-R29 PolarHBondContact OD1-NH2 2.78Å; D26-E30 PolarHBondContact O-N 3.26Å |
| 27 | A | 92.3 | Very high | 85.7 | Confident | 10 Ų | 10 | 64.7 Ų | 64.7 | 8% | 0.083 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.7 | -44 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E23 T24 R29 E30 C31 L121 N125 | E23-A27 WeakPolarHBondContact O-CB 3.42Å; E23-A27 PolarHBondContact O-N 3.02Å; T24-A27 PolarHBondContact O-N 2.76Å; A27-R29 VanDerWaalsContact C-N 3.34Å; A27-R29 PolarHBondContact O-N 3.48Å; A27-E30 PolarHBondContact O-N 3.48Å; A27-C31 VanDerWaalsContact O-CB 3.25Å; A27-C31 WeakPolarHBondContact O-CB 3.36Å; A27-C31 PolarHBondContact O-N 3.36Å; A27-L121 HydrophobicContact CB-CB 4.27Å; A27-N125 PolarHBondContact O-ND2 2.7Å |
| 28 | E | 95.1 | Very high | 86.5 | Confident | 52 Ų | 52 | 65.5 Ų | 65.5 | 24% | 0.243 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.5 | -42.7 | 176 | -65.6 | -172.7 | 160.1 | 0 | 0 | 111.3 | T24 K32 C50 S52 L121 | T24-E28 HydrophobicContact CG2-CG 4.32Å; T24-E28 VanDerWaalsContact O-CG 3.3Å; T24-E28 WeakPolarHBondContact O-CG 3.29Å; T24-E28 PolarHBondContact O-N 2.96Å; E28-K32 WeakPolarHBondContact O-CB 3.39Å; E28-K32 PolarHBondContact O-N 2.98Å; E28-C50 WeakPolarHBondContact CA-O 3.31Å; E28-C50 VanDerWaalsContact CB-O 3.27Å; E28-C50 WeakPolarHBondContact CB-O 3.29Å; E28-C50 WeakPolarHBondContact CG-O 3.3Å; E28-S52 VanDerWaalsContact OE1-CB 3.29Å; E28-S52 WeakPolarHBondContact OE1-CB 3.42Å; E28-S52 PolarHBondContact OE1-N 3.46Å; E28-S52 PolarHBondContact OE1-OG 3.23Å; E28-L121 HydrophobicContact CG-CD1 3.81Å |
| 29 | R | 95.4 | Very high | 87.2 | Confident | 148 Ų | 148 | 62.7 Ų | 62.7 | 56% | 0.558 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -65 | -45.7 | 178.8 | -177.6 | 178.2 | 65 | -115.3 | -0.5 | 112.1 | R25 D26 A27 K32 K33 | R25-R29 WeakPolarHBondContact O-CB 3.15Å; R25-R29 PolarHBondContact O-N 3.07Å; D26-R29 PolarHBondContact O-N 3.3Å; D26-R29 IonicContact OD1-CZ 2.71Å; D26-R29 IonicContact OD1-NH1 3.75Å; D26-R29 PolarHBondContact OD1-NH1 2.98Å; D26-R29 IonicContact OD1-NH2 2.76Å; D26-R29 PolarHBondContact OD1-NH2 2.78Å; A27-R29 VanDerWaalsContact C-N 3.34Å; A27-R29 PolarHBondContact O-N 3.48Å; R29-K32 PolarHBondContact O-N 3.13Å; R29-K33 PolarHBondContact O-N 3.49Å |
| 30 | E | 94.9 | Very high | 88.7 | Confident | 44 Ų | 44 | 64.5 Ų | 64.5 | 21% | 0.206 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -70.4 | -38.8 | -179.7 | -162.2 | 61.8 | -146.6 | 0 | 0 | 111.1 | D26 A27 K32 K33 H34 | D26-E30 PolarHBondContact O-N 3.26Å; A27-E30 PolarHBondContact O-N 3.48Å; E30-K32 VanDerWaalsContact C-N 3.28Å; E30-K32 PolarHBondContact O-N 3.37Å; E30-K33 WeakPolarHBondContact O-CB 3.27Å; E30-K33 PolarHBondContact O-N 2.98Å; E30-K33 VanDerWaalsContact O-N 3.14Å; E30-K33 IonicContact OE1-NZ 3.68Å; E30-K33 PolarHBondContact OE1-NZ 3.17Å; E30-K33 IonicContact OE2-NZ 3.38Å; E30-H34 PolarHBondContact O-CD2 2.9Å; E30-H34 PolarHBondContact O-N 3.16Å; E30-H34 IonicContact OE1-CE1 2.7Å; E30-H34 IonicContact OE1-NE2 3.85Å; E30-H34 PolarHBondContact OE1-NE2 3.29Å |
| 31 | C | 95.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -55.9 | -46.2 | 172.9 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | A27 K33 H34 C35 C50 L121 Y124 N125 | A27-C31 VanDerWaalsContact O-CB 3.25Å; A27-C31 WeakPolarHBondContact O-CB 3.36Å; A27-C31 PolarHBondContact O-N 3.36Å; C31-K33 VanDerWaalsContact C-N 3.31Å; C31-K33 PolarHBondContact O-N 2.69Å; C31-H34 PolarHBondContact O-N 3.34Å; C31-C35 WeakPolarHBondContact O-CB 3.33Å; C31-C35 PolarHBondContact O-N 3.44Å; C31-C50 HydrophobicContact CB-CB 3.59Å; C31-C50 WeakPolarHBondContact CB-SG 3.06Å; C31-C50 PolarHBondContact O-SG 3.02Å; C31-C50 VanDerWaalsContact O-SG 3.34Å; C31-C50 VanDerWaalsContact SG-CA 3.54Å; C31-C50 WeakPolarHBondContact SG-CB 3.21Å; C31-C50 CovalentContact SG-SG 2.05Å; C31-C50 PolarHBondContact SG-SG 3.48Å; C31-L121 HydrophobicContact CB-CD2 4.4Å; C31-Y124 HydrophobicContact CB-CD1 4.19Å; C31-Y124 HydrophobicContact CB-CE1 4.45Å; C31-N125 WeakPolarHBondContact CA-OD1 3.45Å; C31-N125 WeakPolarHBondContact CB-OD1 3.39Å; C31-N125 PolarHBondContact N-OD1 2.87Å |
| 32 | K | 95.8 | Very high | 90.4 | Very high | 91 Ų | 91 | 62.4 Ų | 62.4 | 40% | 0.396 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.9 | -45.2 | -179.7 | -177.3 | 179.3 | 175.4 | -177.5 | 0 | 111 | E28 R29 E30 H34 C35 E36 C46 C50 | E28-K32 WeakPolarHBondContact O-CB 3.39Å; E28-K32 PolarHBondContact O-N 2.98Å; R29-K32 PolarHBondContact O-N 3.13Å; E30-K32 VanDerWaalsContact C-N 3.28Å; E30-K32 PolarHBondContact O-N 3.37Å; K32-H34 PolarHBondContact O-N 3.07Å; K32-C35 PolarHBondContact O-N 3.01Å; K32-E36 VanDerWaalsContact CE-CD 3.48Å; K32-E36 WeakPolarHBondContact CE-OE1 3.29Å; K32-E36 HydrophobicContact CG-CG 4.23Å; K32-E36 IonicContact NZ-OE1 3.79Å; K32-E36 WeakPolarHBondContact O-CB 3.42Å; K32-E36 VanDerWaalsContact O-CG 3.26Å; K32-E36 WeakPolarHBondContact O-CG 3.14Å; K32-E36 PolarHBondContact O-N 3.36Å; K32-C46 HydrophobicContact CG-CB 4.47Å; K32-C50 VanDerWaalsContact CA-SG 3.6Å; K32-C50 HydrophobicContact CB-CB 4.36Å; K32-C50 PolarHBondContact N-SG 3.06Å |
| 33 | K | 95.3 | Very high | 90.9 | Very high | 129 Ų | 129 | 59.8 Ų | 59.8 | 56% | 0.561 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -60.1 | -44.7 | 178.5 | 177.9 | 179.9 | 154.2 | -138.1 | 0 | 112 | R29 E30 C31 G37 | R29-K33 PolarHBondContact O-N 3.49Å; E30-K33 WeakPolarHBondContact O-CB 3.27Å; E30-K33 PolarHBondContact O-N 2.98Å; E30-K33 VanDerWaalsContact O-N 3.14Å; E30-K33 IonicContact OE1-NZ 3.68Å; E30-K33 PolarHBondContact OE1-NZ 3.17Å; E30-K33 IonicContact OE2-NZ 3.38Å; C31-K33 VanDerWaalsContact C-N 3.31Å; C31-K33 PolarHBondContact O-N 2.69Å; K33-G37 PolarHBondContact O-N 3.42Å |
| 34 | H | 94.3 | Very high | 91.4 | Very high | 27 Ų | 27 | 64.9 Ų | 64.9 | 13% | 0.125 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68.4 | -44.9 | 176.6 | -69.4 | -60 | 0 | 0 | 0 | 112.4 | E30 C31 K32 E36 G37 N38 Y124 Q128 | E30-H34 PolarHBondContact O-CD2 2.9Å; E30-H34 PolarHBondContact O-N 3.16Å; E30-H34 IonicContact OE1-CE1 2.7Å; E30-H34 IonicContact OE1-NE2 3.85Å; E30-H34 PolarHBondContact OE1-NE2 3.29Å; C31-H34 PolarHBondContact O-N 3.34Å; K32-H34 PolarHBondContact O-N 3.07Å; H34-E36 PolarHBondContact O-N 2.93Å; H34-G37 PolarHBondContact O-N 2.89Å; H34-N38 WeakPolarHBondContact O-CB 3.35Å; H34-N38 PolarHBondContact O-N 3.32Å; H34-N38 VanDerWaalsContact O-N 3.16Å; H34-N38 PolarHBondContact O-ND2 3.13Å; H34-N38 VanDerWaalsContact O-ND2 3.16Å; H34-Y124 HydrophobicContact CB-CE1 3.92Å; H34-Q128 HydrophobicContact CB-CB 3.93Å; H34-Q128 HydrophobicContact CB-CG 3.98Å |
| 35 | C | 94.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.007 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.9 | -45.2 | -179.9 | 179 | 0 | 0 | 0 | 0 | 111.8 | C31 K32 C46 Y124 | C31-C35 WeakPolarHBondContact O-CB 3.33Å; C31-C35 PolarHBondContact O-N 3.44Å; K32-C35 PolarHBondContact O-N 3.01Å; C35-C46 HydrophobicContact CB-CB 3.68Å; C35-C46 WeakPolarHBondContact CB-SG 3.41Å; C35-C46 VanDerWaalsContact SG-CA 3.54Å; C35-C46 WeakPolarHBondContact SG-CB 3.29Å; C35-C46 CovalentContact SG-SG 2.04Å; C35-C46 PolarHBondContact SG-SG 3.3Å; C35-Y124 PolarHBondContact N-OH 3.14Å |
| 36 | E | 93.1 | Very high | 92 | Very high | 77 Ų | 77 | 60.8 Ų | 60.8 | 36% | 0.36 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -71 | -32 | 179 | -67.2 | 178.6 | 160.5 | 0 | 0 | 112.6 | K32 H34 T43 C46 | K32-E36 VanDerWaalsContact CE-CD 3.48Å; K32-E36 WeakPolarHBondContact CE-OE1 3.29Å; K32-E36 HydrophobicContact CG-CG 4.23Å; K32-E36 IonicContact NZ-OE1 3.79Å; K32-E36 WeakPolarHBondContact O-CB 3.42Å; K32-E36 VanDerWaalsContact O-CG 3.26Å; K32-E36 WeakPolarHBondContact O-CG 3.14Å; K32-E36 PolarHBondContact O-N 3.36Å; H34-E36 PolarHBondContact O-N 2.93Å; E36-T43 HydrophobicContact CB-CG2 4.15Å; E36-T43 HydrophobicContact CG-CG2 3.98Å; E36-C46 HydrophobicContact CG-CB 3.72Å; E36-C46 PolarHBondContact N-SG 3.2Å |
| 37 | G | 85.7 | Confident | 92.2 | Very high | 65 Ų | 65 | 60.2 Ų | 60.2 | 67% | 0.67 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -77.3 | -25.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | K33 H34 | K33-G37 PolarHBondContact O-N 3.42Å; H34-G37 PolarHBondContact O-N 2.89Å |
| 38 | N | 76.5 | Confident | 92.3 | Very high | 100 Ų | 100 | 61.9 Ų | 61.9 | 54% | 0.535 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -98.4 | -20.4 | -170.4 | -70.4 | -27.5 | 0 | 0 | 0 | 114.5 | H34 Q128 | H34-N38 WeakPolarHBondContact O-CB 3.35Å; H34-N38 PolarHBondContact O-N 3.32Å; H34-N38 VanDerWaalsContact O-N 3.16Å; H34-N38 PolarHBondContact O-ND2 3.13Å; H34-N38 VanDerWaalsContact O-ND2 3.16Å; N38-Q128 PolarHBondContact ND2-OE1 3.28Å |
| 39 | N | 75.9 | Confident | 92.3 | Very high | 32 Ų | 32 | 59.8 Ų | 59.8 | 17% | 0.171 | 31% | 0.31 | C | S | . | . | trans | -152.9 | 116.8 | -173.8 | -164.3 | -38.5 | 0 | 0 | 0 | 114.1 | Y41 V42 T43 S66 | N39-Y41 PolarHBondContact O-N 3.4Å; N39-Y41 PolarHBondContact OD1-N 3.09Å; N39-V42 HydrophobicContact CB-CG1 3.74Å; N39-T43 PolarHBondContact O-N 3.23Å; N39-T43 PolarHBondContact O-OG1 2.05Å; N39-S66 WeakPolarHBondContact ND2-CB 3.4Å; N39-S66 PolarHBondContact ND2-O 2.97Å; N39-S66 VanDerWaalsContact ND2-O 3.1Å; N39-S66 PolarHBondContact ND2-OG 3Å; N39-S66 PolarHBondContact OD1-OG 3.25Å | ||
| 40 | E | 86.8 | Confident | 92.3 | Very high | 139 Ų | 139 | 52.9 Ų | 52.9 | 65% | 0.65 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -35.1 | -174.3 | 63.4 | 177.4 | -175.2 | 0 | 0 | 113.5 | T43 | E40-T43 PolarHBondContact O-OG1 2.94Š|
| 41 | Y | 94.6 | Very high | 92.2 | Very high | 38 Ų | 38 | 52 Ų | 52 | 15% | 0.149 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -33.1 | -174.1 | -48.8 | -54.1 | 0 | 0 | 0 | 112.4 | N39 S66 A69 Q72 F75 | N39-Y41 PolarHBondContact O-N 3.4Å; N39-Y41 PolarHBondContact OD1-N 3.09Å; Y41-S66 WeakPolarHBondContact CB-OG 3.28Å; Y41-A69 HydrophobicContact CD2-CB 3.86Å; Y41-A69 HydrophobicContact CE2-CB 4.09Å; Y41-A69 WeakPolarHBondContact CE2-O 3.49Å; Y41-Q72 HydrophobicContact CD1-CB 4.24Å; Y41-Q72 HydrophobicContact CE1-CB 4.48Å; Y41-F75 HydrophobicContact CG-CB 4.31Å; Y41-F75 WeakPolarHBondContact O-CE1 3.39Å |
| 42 | V | 94.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -14.7 | -179.8 | 74 | 0 | 0 | 0 | 0 | 113.6 | N39 R44 Y45 C46 L49 Y62 L63 S66 F75 | N39-V42 HydrophobicContact CB-CG1 3.74Å; V42-R44 VanDerWaalsContact C-N 3.26Å; V42-R44 PolarHBondContact O-N 3.34Å; V42-Y45 WeakPolarHBondContact O-CA 3.35Å; V42-Y45 WeakPolarHBondContact O-CB 3.48Å; V42-Y45 PolarHBondContact O-N 2.88Å; V42-C46 PolarHBondContact O-N 3.41Å; V42-L49 HydrophobicContact CG2-CD1 3.39Å; V42-Y62 HydrophobicContact CG2-CD1 4.32Å; V42-L63 HydrophobicContact CG1-CD2 4.1Å; V42-L63 HydrophobicContact CG2-CD2 4.32Å; V42-S66 WeakPolarHBondContact CB-OG 3.46Å; V42-S66 PolarHBondContact N-OG 3.46Å; V42-F75 HydrophobicContact CB-CZ 4.14Å; V42-F75 HydrophobicContact CG2-CZ 4.31Å |
| 43 | T | 94.4 | Very high | 91.7 | Very high | 48 Ų | 48 | 55.9 Ų | 55.9 | 29% | 0.294 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -45.7 | -46.5 | -173.5 | -65.7 | 0 | 0 | 0 | 0 | 112.9 | E36 N39 E40 Y45 C46 | E36-T43 HydrophobicContact CB-CG2 4.15Å; E36-T43 HydrophobicContact CG-CG2 3.98Å; N39-T43 PolarHBondContact O-N 3.23Å; N39-T43 PolarHBondContact O-OG1 2.05Å; E40-T43 PolarHBondContact O-OG1 2.94Å; T43-Y45 PolarHBondContact O-N 2.83Å; T43-Y45 VanDerWaalsContact O-N 3.11Å; T43-C46 WeakPolarHBondContact O-CB 3.49Å; T43-C46 PolarHBondContact O-N 2.92Å |
| 44 | R | 94.4 | Very high | 91.5 | Very high | 150 Ų | 150 | 51.2 Ų | 51.2 | 57% | 0.566 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -63.9 | -17.5 | -179.6 | 68.5 | -179.6 | 172.6 | 174.5 | -0.3 | 114.7 | V42 D76 | V42-R44 VanDerWaalsContact C-N 3.26Å; V42-R44 PolarHBondContact O-N 3.34Å; R44-D76 IonicContact NH2-OD1 2.81Å; R44-D76 PolarHBondContact NH2-OD1 3.38Å; R44-D76 IonicContact NH2-OD2 2.79Å; R44-D76 PolarHBondContact NH2-OD2 3.47Å |
| 45 | Y | 95.5 | Very high | 91.4 | Very high | 66 Ų | 66 | 50.2 Ų | 50.2 | 26% | 0.259 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -99.6 | -16.9 | -179.4 | -61 | -76.4 | 0 | 0 | 0 | 113 | V42 T43 G47 G48 L49 Y62 F75 L79 | V42-Y45 WeakPolarHBondContact O-CA 3.35Å; V42-Y45 WeakPolarHBondContact O-CB 3.48Å; V42-Y45 PolarHBondContact O-N 2.88Å; T43-Y45 PolarHBondContact O-N 2.83Å; T43-Y45 VanDerWaalsContact O-N 3.11Å; Y45-G47 PolarHBondContact O-N 3.45Å; Y45-G47 VanDerWaalsContact O-N 3.09Å; Y45-G48 PolarHBondContact O-N 3.34Å; Y45-L49 WeakPolarHBondContact O-CG 3.35Å; Y45-L49 PolarHBondContact O-N 3.45Å; Y45-Y62 HydrophobicContact CD1-CD1 4.48Å; Y45-Y62 AromaticContact CD1-CE1 3.67Å; Y45-Y62 HydrophobicContact CD1-CE1 3.67Å; Y45-Y62 HydrophobicContact CD2-CD1 4.21Å; Y45-Y62 AromaticContact CD2-CE1 3.99Å; Y45-Y62 HydrophobicContact CD2-CE1 3.99Å; Y45-Y62 HydrophobicContact CE1-CE1 4.07Å; Y45-Y62 HydrophobicContact CE2-CE1 4.35Å; Y45-Y62 AromaticContact CG-CD1 4Å; Y45-Y62 HydrophobicContact CG-CD1 4Å; Y45-Y62 AromaticContact CG-CE1 3.62Å; Y45-Y62 HydrophobicContact CG-CE1 3.62Å; Y45-F75 AromaticContact CD2-CE1 3.96Å; Y45-F75 HydrophobicContact CD2-CE1 3.96Å; Y45-F75 HydrophobicContact CD2-CZ 4.11Å; Y45-F75 AromaticContact CE2-CE1 3.64Å; Y45-F75 HydrophobicContact CE2-CE1 3.64Å; Y45-F75 HydrophobicContact CE2-CZ 4.17Å; Y45-L79 HydrophobicContact CE2-CD1 3.77Å; Y45-L79 WeakPolarHBondContact OH-CD1 3.26Å |
| 46 | C | 95.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -54.3 | -34.9 | -173.8 | -68.6 | 0 | 0 | 0 | 0 | 113.7 | K32 C35 E36 V42 T43 G48 L49 C50 | K32-C46 HydrophobicContact CG-CB 4.47Å; C35-C46 HydrophobicContact CB-CB 3.68Å; C35-C46 WeakPolarHBondContact CB-SG 3.41Å; C35-C46 VanDerWaalsContact SG-CA 3.54Å; C35-C46 WeakPolarHBondContact SG-CB 3.29Å; C35-C46 CovalentContact SG-SG 2.04Å; C35-C46 PolarHBondContact SG-SG 3.3Å; E36-C46 HydrophobicContact CG-CB 3.72Å; E36-C46 PolarHBondContact N-SG 3.2Å; V42-C46 PolarHBondContact O-N 3.41Å; T43-C46 WeakPolarHBondContact O-CB 3.49Å; T43-C46 PolarHBondContact O-N 2.92Å; C46-G48 VanDerWaalsContact C-N 3.34Å; C46-G48 PolarHBondContact O-N 2.04Å; C46-L49 PolarHBondContact O-N 3.2Å; C46-C50 WeakPolarHBondContact O-CB 3.02Å; C46-C50 PolarHBondContact O-N 3.19Å; C46-C50 PolarHBondContact O-SG 3.23Å |
| 47 | G | 94.7 | Very high | 91.4 | Very high | 48 Ų | 48 | 47.7 Ų | 47.7 | 50% | 0.495 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61 | -38.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114 | Y45 | Y45-G47 PolarHBondContact O-N 3.45Å; Y45-G47 VanDerWaalsContact O-N 3.09Å |
| 48 | G | 95 | Very high | 91.8 | Very high | 45 Ų | 45 | 46.1 Ų | 46.1 | 46% | 0.464 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -81.2 | -40.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y45 C46 C50 S51 T54 | Y45-G48 PolarHBondContact O-N 3.34Å; C46-G48 VanDerWaalsContact C-N 3.34Å; C46-G48 PolarHBondContact O-N 2.04Å; G48-C50 VanDerWaalsContact C-N 3.34Å; G48-C50 PolarHBondContact O-N 3.44Å; G48-S51 VanDerWaalsContact O-CB 3.29Å; G48-S51 WeakPolarHBondContact O-CB 3.06Å; G48-S51 PolarHBondContact O-N 3.49Å; G48-S51 VanDerWaalsContact O-N 3.13Å; G48-T54 PolarHBondContact O-OG1 3.31Å |
| 49 | L | 95.1 | Very high | 92.7 | Very high | 8 Ų | 8 | 41.7 Ų | 41.7 | 4% | 0.042 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.1 | -39.5 | -179.2 | -68.9 | 179.8 | 0 | 0 | 0 | 112.6 | V42 Y45 C46 S51 T54 F59 Y62 | V42-L49 HydrophobicContact CG2-CD1 3.39Å; Y45-L49 WeakPolarHBondContact O-CG 3.35Å; Y45-L49 PolarHBondContact O-N 3.45Å; C46-L49 PolarHBondContact O-N 3.2Å; L49-S51 PolarHBondContact O-N 3.02Å; L49-T54 HydrophobicContact CD2-CG2 4.22Å; L49-T54 WeakPolarHBondContact O-CB 3.42Å; L49-F59 HydrophobicContact CB-CD2 3.75Å; L49-F59 HydrophobicContact CB-CE2 4.03Å; L49-F59 WeakPolarHBondContact O-CD2 3.11Å; L49-Y62 HydrophobicContact CD1-CD1 3.82Å; L49-Y62 HydrophobicContact CD1-CG 3.91Å; L49-Y62 HydrophobicContact CD2-CD1 4.1Å; L49-Y62 HydrophobicContact CD2-CD2 4.06Å; L49-Y62 HydrophobicContact CD2-CG 3.79Å; L49-Y62 HydrophobicContact CG-CD1 4.39Å; L49-Y62 HydrophobicContact CG-CG 4.44Å |
| 50 | C | 95.5 | Very high | 93.6 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.014 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 12.4 | 177 | -66.8 | 0 | 0 | 0 | 0 | 113.8 | E28 C31 K32 C46 G48 L121 | E28-C50 WeakPolarHBondContact CA-O 3.31Å; E28-C50 VanDerWaalsContact CB-O 3.27Å; E28-C50 WeakPolarHBondContact CB-O 3.29Å; E28-C50 WeakPolarHBondContact CG-O 3.3Å; C31-C50 HydrophobicContact CB-CB 3.59Å; C31-C50 WeakPolarHBondContact CB-SG 3.06Å; C31-C50 PolarHBondContact O-SG 3.02Å; C31-C50 VanDerWaalsContact O-SG 3.34Å; C31-C50 VanDerWaalsContact SG-CA 3.54Å; C31-C50 WeakPolarHBondContact SG-CB 3.21Å; C31-C50 CovalentContact SG-SG 2.05Å; C31-C50 PolarHBondContact SG-SG 3.48Å; K32-C50 VanDerWaalsContact CA-SG 3.6Å; K32-C50 HydrophobicContact CB-CB 4.36Å; K32-C50 PolarHBondContact N-SG 3.06Å; C46-C50 WeakPolarHBondContact O-CB 3.02Å; C46-C50 PolarHBondContact O-N 3.19Å; C46-C50 PolarHBondContact O-SG 3.23Å; G48-C50 VanDerWaalsContact C-N 3.34Å; G48-C50 PolarHBondContact O-N 3.44Å; C50-L121 WeakPolarHBondContact O-CD1 3.32Å |
| 51 | S | 93.9 | Very high | 94 | Very high | 26 Ų | 26 | 33.8 Ų | 33.8 | 18% | 0.182 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -79.4 | 140.3 | 168.7 | -178.9 | 0 | 0 | 0 | 0 | 110 | G48 L49 N53 T54 | G48-S51 VanDerWaalsContact O-CB 3.29Å; G48-S51 WeakPolarHBondContact O-CB 3.06Å; G48-S51 PolarHBondContact O-N 3.49Å; G48-S51 VanDerWaalsContact O-N 3.13Å; L49-S51 PolarHBondContact O-N 3.02Å; S51-N53 PolarHBondContact O-N 3.39Å; S51-N53 PolarHBondContact OG-N 3.14Å; S51-N53 PolarHBondContact OG-ND2 3.41Å; S51-T54 PolarHBondContact O-N 3.04Å |
| 52 | S | 87.7 | Confident | 94.1 | Very high | 32 Ų | 32 | 32.8 Ų | 32.8 | 22% | 0.224 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -8.7 | 168.4 | 50.7 | 0 | 0 | 0 | 0 | 114.4 | E28 G116 G117 | E28-S52 VanDerWaalsContact OE1-CB 3.29Å; E28-S52 WeakPolarHBondContact OE1-CB 3.42Å; E28-S52 PolarHBondContact OE1-N 3.46Å; E28-S52 PolarHBondContact OE1-OG 3.23Å; S52-G116 CarbonylContact O-C 3.14Å; S52-G116 WeakPolarHBondContact O-CA 3.34Å; S52-G117 PolarHBondContact O-N 3.02Å |
| 53 | N | 91.4 | Very high | 94.1 | Very high | 140 Ų | 140 | 33.2 Ų | 33.2 | 75% | 0.749 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -18.5 | 171.4 | -62.5 | -60.3 | 0 | 0 | 0 | 113.5 | S51 | S51-N53 PolarHBondContact O-N 3.39Å; S51-N53 PolarHBondContact OG-N 3.14Å; S51-N53 PolarHBondContact OG-ND2 3.41Å |
| 54 | T | 92.2 | Very high | 94.1 | Very high | 32 Ų | 32 | 31 Ų | 31 | 20% | 0.196 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -84 | 122.9 | 179.6 | -64.7 | 0 | 0 | 0 | 0 | 109.3 | G48 L49 S51 T58 F59 G116 | G48-T54 PolarHBondContact O-OG1 3.31Å; L49-T54 HydrophobicContact CD2-CG2 4.22Å; L49-T54 WeakPolarHBondContact O-CB 3.42Å; S51-T54 PolarHBondContact O-N 3.04Å; T54-T58 HydrophobicContact CG2-CG2 4.14Å; T54-F59 HydrophobicContact CG2-CB 4.41Å; T54-G116 VanDerWaalsContact O-CA 3.29Å; T54-G116 WeakPolarHBondContact O-CA 3.35Å |
| 55 | G | 92.3 | Very high | 94.2 | Very high | 5 Ų | 5 | 24 Ų | 24 | 5% | 0.052 | 15% | 0.153 | C | C | . | . | trans | -72.6 | 150.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q57 T58 F59 N114 | G55-Q57 VanDerWaalsContact C-N 3.25Å; G55-Q57 PolarHBondContact O-N 2.9Å; G55-T58 WeakPolarHBondContact O-CB 3.46Å; G55-T58 PolarHBondContact O-N 3.04Å; G55-F59 PolarHBondContact O-N 3.01Å; G55-N114 WeakPolarHBondContact CA-O 3.05Å; G55-N114 VanDerWaalsContact CA-OD1 3.28Å; G55-N114 WeakPolarHBondContact CA-OD1 2.77Å | ||
| 56 | P | 93 | Very high | 94.1 | Very high | 6 Ų | 6 | 21 Ų | 21 | 4% | 0.039 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.7 | -31.4 | -175.3 | 21.6 | -32.5 | 0 | 0 | 0 | 113 | T58 F59 Y60 V110 G113 H115 P120 | P56-T58 VanDerWaalsContact C-N 3.31Å; P56-T58 PolarHBondContact O-N 3.38Å; P56-F59 WeakPolarHBondContact O-CB 3.34Å; P56-F59 PolarHBondContact O-N 2.7Å; P56-Y60 HydrophobicContact CB-CD2 4.32Å; P56-Y60 HydrophobicContact CB-CE2 4.48Å; P56-Y60 WeakPolarHBondContact O-CB 3.25Å; P56-Y60 VanDerWaalsContact O-CD2 3.26Å; P56-Y60 WeakPolarHBondContact O-CD2 3.49Å; P56-Y60 PolarHBondContact O-N 3.21Å; P56-V110 HydrophobicContact CB-CB 4.14Å; P56-V110 VanDerWaalsContact CB-O 3.32Å; P56-V110 WeakPolarHBondContact CB-O 3.48Å; P56-V110 WeakPolarHBondContact CG-O 3.01Å; P56-G113 VanDerWaalsContact CG-O 3.29Å; P56-G113 WeakPolarHBondContact CG-O 3.14Å; P56-H115 VanDerWaalsContact CD-O 3.29Å; P56-H115 WeakPolarHBondContact CD-O 3.44Å; P56-P120 HydrophobicContact CB-CB 4.09Å; P56-P120 HydrophobicContact CG-CB 4.45Å |
| 57 | Q | 94.5 | Very high | 94.1 | Very high | 20 Ų | 20 | 26 Ų | 26 | 9% | 0.093 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.9 | -38.3 | 176.2 | -56.3 | 178.6 | -13.3 | 0 | 0 | 111.7 | G55 C61 L88 C93 C111 N114 | G55-Q57 VanDerWaalsContact C-N 3.25Å; G55-Q57 PolarHBondContact O-N 2.9Å; Q57-C61 WeakPolarHBondContact O-CB 3.48Å; Q57-C61 PolarHBondContact O-N 3.01Å; Q57-L88 HydrophobicContact CB-CB 4.3Å; Q57-L88 HydrophobicContact CB-CD2 4.02Å; Q57-L88 WeakPolarHBondContact O-CD2 3Å; Q57-L88 VanDerWaalsContact OE1-C 3.25Å; Q57-L88 PolarHBondContact OE1-O 3.06Å; Q57-L88 VanDerWaalsContact OE1-O 3.06Å; Q57-C93 HydrophobicContact CB-CB 4.13Å; Q57-C93 HydrophobicContact CG-CB 3.82Å; Q57-C111 PolarHBondContact NE2-O 3.47Å; Q57-N114 HydrophobicContact CB-CB 4.46Å; Q57-N114 WeakPolarHBondContact CB-OD1 3.07Å; Q57-N114 HydrophobicContact CG-CB 4.15Å; Q57-N114 PolarHBondContact N-OD1 3.16Å |
| 58 | T | 94.4 | Very high | 94 | Very high | 32 Ų | 32 | 27.9 Ų | 27.9 | 20% | 0.196 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -70 | -44.4 | 175.4 | -54.4 | 0 | 0 | 0 | 0 | 110.3 | T54 G55 P56 C61 Y62 | T54-T58 HydrophobicContact CG2-CG2 4.14Å; G55-T58 WeakPolarHBondContact O-CB 3.46Å; G55-T58 PolarHBondContact O-N 3.04Å; P56-T58 VanDerWaalsContact C-N 3.31Å; P56-T58 PolarHBondContact O-N 3.38Å; T58-C61 PolarHBondContact O-N 3.17Å; T58-Y62 HydrophobicContact CG2-CD2 4.27Å; T58-Y62 HydrophobicContact CG2-CE2 4.23Å; T58-Y62 WeakPolarHBondContact O-CD2 3.29Å; T58-Y62 PolarHBondContact O-N 3.02Å; T58-Y62 VanDerWaalsContact O-N 3.14Å |
| 59 | F | 95 | Very high | 93.9 | Very high | 7 Ų | 7 | 26.4 Ų | 26.4 | 3% | 0.031 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -54.5 | -57 | 177.3 | -176.2 | -101.4 | 0 | 0 | 0 | 112.1 | L49 T54 G55 P56 C61 Y62 L63 Y124 | L49-F59 HydrophobicContact CB-CD2 3.75Å; L49-F59 HydrophobicContact CB-CE2 4.03Å; L49-F59 WeakPolarHBondContact O-CD2 3.11Å; T54-F59 HydrophobicContact CG2-CB 4.41Å; G55-F59 PolarHBondContact O-N 3.01Å; P56-F59 WeakPolarHBondContact O-CB 3.34Å; P56-F59 PolarHBondContact O-N 2.7Å; F59-C61 PolarHBondContact O-N 2.83Å; F59-Y62 PolarHBondContact O-N 3.42Å; F59-L63 HydrophobicContact CD1-CD1 3.94Å; F59-L63 HydrophobicContact CE1-CD1 3.34Å; F59-L63 HydrophobicContact CE1-CG 4.25Å; F59-L63 HydrophobicContact CZ-CD1 3.68Å; F59-L63 HydrophobicContact CZ-CG 4.39Å; F59-L63 PolarHBondContact O-N 3.29Å; F59-L63 VanDerWaalsContact O-N 3.11Å; F59-Y124 HydrophobicContact CE1-CD1 4.22Å; F59-Y124 AromaticContact CE1-CD2 3.68Å; F59-Y124 HydrophobicContact CE1-CD2 3.68Å; F59-Y124 HydrophobicContact CE1-CE2 4.03Å; F59-Y124 AromaticContact CE1-CG 3.77Å; F59-Y124 HydrophobicContact CE1-CG 3.77Å; F59-Y124 AromaticContact CZ-CD1 3.78Å; F59-Y124 HydrophobicContact CZ-CD1 3.78Å; F59-Y124 AromaticContact CZ-CD2 3.96Å; F59-Y124 HydrophobicContact CZ-CD2 3.96Å; F59-Y124 AromaticContact CZ-CE1 3.83Å; F59-Y124 HydrophobicContact CZ-CE1 3.83Å; F59-Y124 HydrophobicContact CZ-CE2 4.02Å; F59-Y124 AromaticContact CZ-CG 3.83Å; F59-Y124 HydrophobicContact CZ-CG 3.83Å; F59-Y124 AromaticContact CZ-CZ 3.95Å |
| 60 | Y | 95.1 | Very high | 93.9 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.008 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -69.9 | -31.2 | -178.9 | -76.2 | -68.9 | 0 | 0 | 0 | 113.1 | P56 Y62 L63 G64 D96 C97 V100 L106 V110 | P56-Y60 HydrophobicContact CB-CD2 4.32Å; P56-Y60 HydrophobicContact CB-CE2 4.48Å; P56-Y60 WeakPolarHBondContact O-CB 3.25Å; P56-Y60 VanDerWaalsContact O-CD2 3.26Å; P56-Y60 WeakPolarHBondContact O-CD2 3.49Å; P56-Y60 PolarHBondContact O-N 3.21Å; Y60-Y62 VanDerWaalsContact C-N 3.31Å; Y60-Y62 PolarHBondContact O-N 3.02Å; Y60-L63 HydrophobicContact CD1-CD1 4.29Å; Y60-L63 HydrophobicContact CE1-CD1 4.39Å; Y60-L63 PolarHBondContact O-N 2.84Å; Y60-G64 PolarHBondContact O-N 3.15Å; Y60-D96 WeakPolarHBondContact O-CB 3.49Å; Y60-C97 VanDerWaalsContact CD1-CA 3.47Å; Y60-C97 HydrophobicContact CD1-CB 3.6Å; Y60-C97 HydrophobicContact CD2-CB 4.17Å; Y60-C97 HydrophobicContact CE1-CB 3.9Å; Y60-C97 HydrophobicContact CE2-CB 4.48Å; Y60-C97 HydrophobicContact CG-CB 3.73Å; Y60-V100 HydrophobicContact CD1-CG2 3.81Å; Y60-V100 HydrophobicContact CE1-CG2 3.91Å; Y60-L106 WeakPolarHBondContact OH-CD2 3.08Å; Y60-V110 HydrophobicContact CD2-CG2 4.05Å; Y60-V110 HydrophobicContact CE2-CB 4.2Å; Y60-V110 HydrophobicContact CE2-CG2 3.41Å; Y60-V110 VanDerWaalsContact CE2-CG2 3.41Å |
| 61 | C | 95.1 | Very high | 93.9 | Very high | 3 Ų | 3 | 33.7 Ų | 33.7 | 2% | 0.02 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.9 | -44.6 | 172.8 | -172.1 | 0 | 0 | 0 | 0 | 111.2 | Q57 T58 F59 G64 C65 C82 L88 | Q57-C61 WeakPolarHBondContact O-CB 3.48Å; Q57-C61 PolarHBondContact O-N 3.01Å; T58-C61 PolarHBondContact O-N 3.17Å; F59-C61 PolarHBondContact O-N 2.83Å; C61-G64 PolarHBondContact O-N 2.66Å; C61-C65 WeakPolarHBondContact O-CB 2.9Å; C61-C65 PolarHBondContact O-N 3.33Å; C61-C65 PolarHBondContact O-SG 2.04Å; C61-C82 HydrophobicContact CB-CB 3.84Å; C61-C82 WeakPolarHBondContact CB-SG 3.45Å; C61-C82 WeakPolarHBondContact SG-CA 3.4Å; C61-C82 WeakPolarHBondContact SG-CB 3.36Å; C61-C82 CovalentContact SG-SG 2.04Å; C61-C82 PolarHBondContact SG-SG 3.31Å; C61-L88 HydrophobicContact CB-CD2 4.21Å |
| 62 | Y | 95.9 | Very high | 94 | Very high | 16 Ų | 16 | 35.5 Ų | 35.5 | 6% | 0.063 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.9 | -47.2 | 175.7 | -90.4 | -113.6 | 0 | 0 | 0 | 112.1 | V42 Y45 L49 T58 F59 Y60 G64 C65 S66 F75 L79 C82 N83 | V42-Y62 HydrophobicContact CG2-CD1 4.32Å; Y45-Y62 HydrophobicContact CD1-CD1 4.48Å; Y45-Y62 AromaticContact CD1-CE1 3.67Å; Y45-Y62 HydrophobicContact CD1-CE1 3.67Å; Y45-Y62 HydrophobicContact CD2-CD1 4.21Å; Y45-Y62 AromaticContact CD2-CE1 3.99Å; Y45-Y62 HydrophobicContact CD2-CE1 3.99Å; Y45-Y62 HydrophobicContact CE1-CE1 4.07Å; Y45-Y62 HydrophobicContact CE2-CE1 4.35Å; Y45-Y62 AromaticContact CG-CD1 4Å; Y45-Y62 HydrophobicContact CG-CD1 4Å; Y45-Y62 AromaticContact CG-CE1 3.62Å; Y45-Y62 HydrophobicContact CG-CE1 3.62Å; L49-Y62 HydrophobicContact CD1-CD1 3.82Å; L49-Y62 HydrophobicContact CD1-CG 3.91Å; L49-Y62 HydrophobicContact CD2-CD1 4.1Å; L49-Y62 HydrophobicContact CD2-CD2 4.06Å; L49-Y62 HydrophobicContact CD2-CG 3.79Å; L49-Y62 HydrophobicContact CG-CD1 4.39Å; L49-Y62 HydrophobicContact CG-CG 4.44Å; T58-Y62 HydrophobicContact CG2-CD2 4.27Å; T58-Y62 HydrophobicContact CG2-CE2 4.23Å; T58-Y62 WeakPolarHBondContact O-CD2 3.29Å; T58-Y62 PolarHBondContact O-N 3.02Å; T58-Y62 VanDerWaalsContact O-N 3.14Å; F59-Y62 PolarHBondContact O-N 3.42Å; Y60-Y62 VanDerWaalsContact C-N 3.31Å; Y60-Y62 PolarHBondContact O-N 3.02Å; Y62-G64 PolarHBondContact O-N 3.22Å; Y62-C65 PolarHBondContact O-N 3.46Å; Y62-S66 WeakPolarHBondContact O-CB 3.45Å; Y62-S66 PolarHBondContact O-N 3.03Å; Y62-F75 HydrophobicContact CD1-CZ 4.24Å; Y62-L79 HydrophobicContact CD1-CD2 3.55Å; Y62-L79 HydrophobicContact CD2-CD2 4.29Å; Y62-L79 HydrophobicContact CE1-CD1 4.36Å; Y62-L79 HydrophobicContact CE1-CD2 3.36Å; Y62-L79 HydrophobicContact CE1-CG 4.46Å; Y62-L79 HydrophobicContact CE2-CD2 4.13Å; Y62-L79 HydrophobicContact CG-CD2 4.03Å; Y62-C82 HydrophobicContact CD2-CB 3.79Å; Y62-C82 HydrophobicContact CE2-CB 3.65Å; Y62-N83 PolarHBondContact OH-ND2 3.38Å; Y62-N83 PolarHBondContact OH-OD1 2.83Å |
| 63 | L | 95.3 | Very high | 94.4 | Very high | 10 Ų | 10 | 39.1 Ų | 39.1 | 5% | 0.052 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.3 | -42.1 | 178.1 | -66.2 | -173.7 | 0 | 0 | 0 | 112.2 | V42 F59 Y60 S66 H67 V100 Y124 | V42-L63 HydrophobicContact CG1-CD2 4.1Å; V42-L63 HydrophobicContact CG2-CD2 4.32Å; F59-L63 HydrophobicContact CD1-CD1 3.94Å; F59-L63 HydrophobicContact CE1-CD1 3.34Å; F59-L63 HydrophobicContact CE1-CG 4.25Å; F59-L63 HydrophobicContact CZ-CD1 3.68Å; F59-L63 HydrophobicContact CZ-CG 4.39Å; F59-L63 PolarHBondContact O-N 3.29Å; F59-L63 VanDerWaalsContact O-N 3.11Å; Y60-L63 HydrophobicContact CD1-CD1 4.29Å; Y60-L63 HydrophobicContact CE1-CD1 4.39Å; Y60-L63 PolarHBondContact O-N 2.84Å; L63-S66 WeakPolarHBondContact O-CB 3.47Å; L63-S66 PolarHBondContact O-N 3.48Å; L63-H67 WeakPolarHBondContact O-CB 3.26Å; L63-H67 PolarHBondContact O-N 3.47Å; L63-V100 HydrophobicContact CB-CG1 4.18Å; L63-V100 HydrophobicContact CB-CG2 4.21Å; L63-V100 HydrophobicContact CD1-CG2 4.32Å; L63-Y124 HydrophobicContact CD1-CD2 4.38Å; L63-Y124 HydrophobicContact CD1-CE2 3.78Å |
| 64 | G | 95 | Very high | 94.7 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.8 | -42.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y60 C61 Y62 S66 H67 N68 | Y60-G64 PolarHBondContact O-N 3.15Å; C61-G64 PolarHBondContact O-N 2.66Å; Y62-G64 PolarHBondContact O-N 3.22Å; G64-S66 VanDerWaalsContact C-N 3.29Å; G64-S66 PolarHBondContact O-N 3.23Å; G64-H67 PolarHBondContact O-N 3.11Å; G64-N68 PolarHBondContact O-N 2.78Å; G64-N68 VanDerWaalsContact O-N 3.14Å |
| 65 | C | 95.2 | Very high | 94.9 | Very high | 4 Ų | 4 | 34 Ų | 34 | 3% | 0.027 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56.9 | -45.7 | 170.2 | -77.5 | 0 | 0 | 0 | 0 | 111.2 | C61 Y62 N68 A69 F75 C78 | C61-C65 WeakPolarHBondContact O-CB 2.9Å; C61-C65 PolarHBondContact O-N 3.33Å; C61-C65 PolarHBondContact O-SG 2.04Å; Y62-C65 PolarHBondContact O-N 3.46Å; C65-N68 PolarHBondContact O-N 3.19Å; C65-A69 WeakPolarHBondContact O-CB 3.32Å; C65-A69 PolarHBondContact O-N 3.05Å; C65-A69 VanDerWaalsContact O-N 3.11Å; C65-F75 HydrophobicContact CB-CD2 3.76Å; C65-F75 HydrophobicContact CB-CE2 3.8Å; C65-C78 WeakPolarHBondContact CA-SG 3.37Å; C65-C78 HydrophobicContact CB-CB 3.58Å; C65-C78 WeakPolarHBondContact CB-SG 3.04Å; C65-C78 WeakPolarHBondContact SG-CB 3.43Å; C65-C78 CovalentContact SG-SG 2.03Å; C65-C78 PolarHBondContact SG-SG 2.86Å |
| 66 | S | 95.2 | Very high | 95.1 | Very high | 3 Ų | 3 | 36.5 Ų | 36.5 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -70 | -34 | -176.8 | -147.3 | 0 | 0 | 0 | 0 | 112.7 | N39 Y41 V42 Y62 L63 G64 | N39-S66 WeakPolarHBondContact ND2-CB 3.4Å; N39-S66 PolarHBondContact ND2-O 2.97Å; N39-S66 VanDerWaalsContact ND2-O 3.1Å; N39-S66 PolarHBondContact ND2-OG 3Å; N39-S66 PolarHBondContact OD1-OG 3.25Å; Y41-S66 WeakPolarHBondContact CB-OG 3.28Å; V42-S66 WeakPolarHBondContact CB-OG 3.46Å; V42-S66 PolarHBondContact N-OG 3.46Å; Y62-S66 WeakPolarHBondContact O-CB 3.45Å; Y62-S66 PolarHBondContact O-N 3.03Å; L63-S66 WeakPolarHBondContact O-CB 3.47Å; L63-S66 PolarHBondContact O-N 3.48Å; G64-S66 VanDerWaalsContact C-N 3.29Å; G64-S66 PolarHBondContact O-N 3.23Å |
| 67 | H | 93.8 | Very high | 95.2 | Very high | 104 Ų | 104 | 43 Ų | 43 | 48% | 0.481 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -69.2 | -37 | 176 | 175.9 | -88.5 | 0 | 0 | 0 | 112.3 | L63 G64 R99 V100 | L63-H67 WeakPolarHBondContact O-CB 3.26Å; L63-H67 PolarHBondContact O-N 3.47Å; G64-H67 PolarHBondContact O-N 3.11Å; H67-R99 PolarHBondContact NE2-O 3.5Å; H67-V100 HydrophobicContact CB-CG1 3.71Å |
| 68 | N | 92.7 | Very high | 95.3 | Very high | 88 Ų | 88 | 43.7 Ų | 43.7 | 47% | 0.471 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -85.3 | -14.1 | -179 | -70.3 | -14.6 | 0 | 0 | 0 | 113.8 | G64 C65 R99 | G64-N68 PolarHBondContact O-N 2.78Å; G64-N68 VanDerWaalsContact O-N 3.14Å; C65-N68 PolarHBondContact O-N 3.19Å; N68-R99 PolarHBondContact ND2-NH1 3.41Å |
| 69 | A | 94.6 | Very high | 95.3 | Very high | 14 Ų | 14 | 42.5 Ų | 42.5 | 12% | 0.116 | 23% | 0.228 | C | C | . | . | trans | -74.1 | 130.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y41 C65 D74 F75 | Y41-A69 HydrophobicContact CD2-CB 3.86Å; Y41-A69 HydrophobicContact CE2-CB 4.09Å; Y41-A69 WeakPolarHBondContact CE2-O 3.49Å; C65-A69 WeakPolarHBondContact O-CB 3.32Å; C65-A69 PolarHBondContact O-N 3.05Å; C65-A69 VanDerWaalsContact O-N 3.11Å; A69-D74 HydrophobicContact CB-CB 4.13Å; A69-F75 HydrophobicContact CB-CB 3.64Å | ||
| 70 | S | 94.5 | Very high | 95.3 | Very high | 100 Ų | 100 | 45 Ų | 45 | 70% | 0.699 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -93.7 | -14 | 168.7 | -60.2 | 0 | 0 | 0 | 0 | 112.2 | ||
| 71 | T | 95.9 | Very high | 95.1 | Very high | 63 Ų | 63 | 50.3 Ų | 50.3 | 39% | 0.387 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -145.2 | 159.4 | -179.8 | 65.1 | 0 | 0 | 0 | 0 | 110.2 | D73 D74 F75 | T71-D73 PolarHBondContact O-N 2.9Å; T71-D74 PolarHBondContact N-OD2 3.49Å; T71-D74 PolarHBondContact O-N 3.39Å; T71-D74 VanDerWaalsContact O-N 3.1Å; T71-D74 PolarHBondContact OG1-N 2.93Å; T71-D74 PolarHBondContact OG1-OD2 3.2Å; T71-F75 PolarHBondContact O-N 2.94Å |
| 72 | Q | 95.5 | Very high | 95 | Very high | 65 Ų | 65 | 50.2 Ų | 50.2 | 30% | 0.304 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -55.6 | -36 | 172.1 | -176 | 65.6 | 54.6 | 0 | 0 | 112 | Y41 F75 D76 | Y41-Q72 HydrophobicContact CD1-CB 4.24Å; Y41-Q72 HydrophobicContact CE1-CB 4.48Å; Q72-F75 PolarHBondContact O-N 3.26Å; Q72-D76 PolarHBondContact NE2-OD1 2.81Å; Q72-D76 WeakPolarHBondContact O-CB 3.43Å; Q72-D76 VanDerWaalsContact O-CG 3.31Å; Q72-D76 PolarHBondContact O-N 3.43Å |
| 73 | D | 97 | Very high | 94.8 | Very high | 107 Ų | 107 | 53.7 Ų | 53.7 | 57% | 0.572 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -66.4 | -36.6 | 178.4 | -75.3 | -4 | 0 | 0 | 0 | 112.3 | T71 K77 | T71-D73 PolarHBondContact O-N 2.9Å; D73-K77 WeakPolarHBondContact O-CB 3.46Å; D73-K77 WeakPolarHBondContact O-CD 3.44Å; D73-K77 WeakPolarHBondContact O-CG 3.04Å; D73-K77 PolarHBondContact O-N 3.48Å |
| 74 | D | 96.6 | Very high | 94.5 | Very high | 64 Ų | 64 | 58.7 Ų | 58.7 | 34% | 0.342 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -68.1 | -40.9 | 176.5 | -62.4 | -36.9 | 0 | 0 | 0 | 111.1 | A69 T71 K77 C78 | A69-D74 HydrophobicContact CB-CB 4.13Å; T71-D74 PolarHBondContact N-OD2 3.49Å; T71-D74 PolarHBondContact O-N 3.39Å; T71-D74 VanDerWaalsContact O-N 3.1Å; T71-D74 PolarHBondContact OG1-N 2.93Å; T71-D74 PolarHBondContact OG1-OD2 3.2Å; D74-K77 PolarHBondContact O-N 3.27Å; D74-C78 PolarHBondContact O-N 3.19Å |
| 75 | F | 96.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.5 | -49.8 | 173.5 | 178.3 | -116.3 | 0 | 0 | 0 | 111.3 | Y41 V42 Y45 Y62 C65 A69 T71 Q72 K77 C78 L79 | Y41-F75 HydrophobicContact CG-CB 4.31Å; Y41-F75 WeakPolarHBondContact O-CE1 3.39Å; V42-F75 HydrophobicContact CB-CZ 4.14Å; V42-F75 HydrophobicContact CG2-CZ 4.31Å; Y45-F75 AromaticContact CD2-CE1 3.96Å; Y45-F75 HydrophobicContact CD2-CE1 3.96Å; Y45-F75 HydrophobicContact CD2-CZ 4.11Å; Y45-F75 AromaticContact CE2-CE1 3.64Å; Y45-F75 HydrophobicContact CE2-CE1 3.64Å; Y45-F75 HydrophobicContact CE2-CZ 4.17Å; Y62-F75 HydrophobicContact CD1-CZ 4.24Å; C65-F75 HydrophobicContact CB-CD2 3.76Å; C65-F75 HydrophobicContact CB-CE2 3.8Å; A69-F75 HydrophobicContact CB-CB 3.64Å; T71-F75 PolarHBondContact O-N 2.94Å; Q72-F75 PolarHBondContact O-N 3.26Å; F75-K77 VanDerWaalsContact C-N 3.27Å; F75-K77 PolarHBondContact O-N 3.37Å; F75-C78 WeakPolarHBondContact O-CA 3.31Å; F75-C78 VanDerWaalsContact O-CB 3.29Å; F75-C78 WeakPolarHBondContact O-CB 3.31Å; F75-C78 PolarHBondContact O-N 3.39Å; F75-L79 HydrophobicContact CD1-CD1 4.19Å; F75-L79 HydrophobicContact CD1-CG 4.36Å; F75-L79 HydrophobicContact CD2-CD2 4.43Å; F75-L79 HydrophobicContact CE1-CD1 3.81Å; F75-L79 HydrophobicContact CE1-CD2 4.07Å; F75-L79 HydrophobicContact CE1-CG 4.11Å; F75-L79 HydrophobicContact CE2-CD2 3.74Å; F75-L79 HydrophobicContact CE2-CG 4.35Å; F75-L79 HydrophobicContact CZ-CD1 4.17Å; F75-L79 HydrophobicContact CZ-CD2 3.56Å; F75-L79 HydrophobicContact CZ-CG 4.11Å; F75-L79 PolarHBondContact O-N 2.99Å; F75-L79 VanDerWaalsContact O-N 3.11Å |
| 76 | D | 95.9 | Very high | 93.1 | Very high | 58 Ų | 58 | 72.4 Ų | 72.4 | 31% | 0.31 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.6 | -29.9 | -178.2 | -73.8 | -6.4 | 0 | 0 | 0 | 112.3 | R44 Q72 C78 P80 | R44-D76 IonicContact NH2-OD1 2.81Å; R44-D76 PolarHBondContact NH2-OD1 3.38Å; R44-D76 IonicContact NH2-OD2 2.79Å; R44-D76 PolarHBondContact NH2-OD2 3.47Å; Q72-D76 PolarHBondContact NE2-OD1 2.81Å; Q72-D76 WeakPolarHBondContact O-CB 3.43Å; Q72-D76 VanDerWaalsContact O-CG 3.31Å; Q72-D76 PolarHBondContact O-N 3.43Å; D76-C78 VanDerWaalsContact C-N 3.31Å; D76-P80 WeakPolarHBondContact O-CD 3.17Å |
| 77 | K | 96.4 | Very high | 92.3 | Very high | 144 Ų | 144 | 75.2 Ų | 75.2 | 63% | 0.626 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -70.5 | -24.4 | 170.3 | -73.6 | 166.1 | -167.3 | 159.1 | 0 | 113.5 | D73 D74 F75 | D73-K77 WeakPolarHBondContact O-CB 3.46Å; D73-K77 WeakPolarHBondContact O-CD 3.44Å; D73-K77 WeakPolarHBondContact O-CG 3.04Å; D73-K77 PolarHBondContact O-N 3.48Å; D74-K77 PolarHBondContact O-N 3.27Å; F75-K77 VanDerWaalsContact C-N 3.27Å; F75-K77 PolarHBondContact O-N 3.37Å |
| 78 | C | 95 | Very high | 92 | Very high | 33 Ų | 33 | 71.4 Ų | 71.4 | 22% | 0.223 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -81.1 | -37.8 | 178.9 | -169.6 | 0 | 0 | 0 | 0 | 111.8 | C65 D74 F75 D76 P80 K81 | C65-C78 WeakPolarHBondContact CA-SG 3.37Å; C65-C78 HydrophobicContact CB-CB 3.58Å; C65-C78 WeakPolarHBondContact CB-SG 3.04Å; C65-C78 WeakPolarHBondContact SG-CB 3.43Å; C65-C78 CovalentContact SG-SG 2.03Å; C65-C78 PolarHBondContact SG-SG 2.86Å; D74-C78 PolarHBondContact O-N 3.19Å; F75-C78 WeakPolarHBondContact O-CA 3.31Å; F75-C78 VanDerWaalsContact O-CB 3.29Å; F75-C78 WeakPolarHBondContact O-CB 3.31Å; F75-C78 PolarHBondContact O-N 3.39Å; D76-C78 VanDerWaalsContact C-N 3.31Å; C78-P80 VanDerWaalsContact C-CD 3.44Å; C78-K81 VanDerWaalsContact O-CB 3.3Å; C78-K81 WeakPolarHBondContact O-CB 3.37Å; C78-K81 PolarHBondContact O-N 3.05Å |
| 79 | L | 94.9 | Very high | 92 | Very high | 8 Ų | 8 | 70.1 Ų | 70.1 | 4% | 0.042 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -52.2 | -39.8 | -174.7 | -70.7 | -174.2 | 0 | 0 | 0 | 116.7 | Y45 Y62 F75 K81 C82 N83 | Y45-L79 HydrophobicContact CE2-CD1 3.77Å; Y45-L79 WeakPolarHBondContact OH-CD1 3.26Å; Y62-L79 HydrophobicContact CD1-CD2 3.55Å; Y62-L79 HydrophobicContact CD2-CD2 4.29Å; Y62-L79 HydrophobicContact CE1-CD1 4.36Å; Y62-L79 HydrophobicContact CE1-CD2 3.36Å; Y62-L79 HydrophobicContact CE1-CG 4.46Å; Y62-L79 HydrophobicContact CE2-CD2 4.13Å; Y62-L79 HydrophobicContact CG-CD2 4.03Å; F75-L79 HydrophobicContact CD1-CD1 4.19Å; F75-L79 HydrophobicContact CD1-CG 4.36Å; F75-L79 HydrophobicContact CD2-CD2 4.43Å; F75-L79 HydrophobicContact CE1-CD1 3.81Å; F75-L79 HydrophobicContact CE1-CD2 4.07Å; F75-L79 HydrophobicContact CE1-CG 4.11Å; F75-L79 HydrophobicContact CE2-CD2 3.74Å; F75-L79 HydrophobicContact CE2-CG 4.35Å; F75-L79 HydrophobicContact CZ-CD1 4.17Å; F75-L79 HydrophobicContact CZ-CD2 3.56Å; F75-L79 HydrophobicContact CZ-CG 4.11Å; F75-L79 PolarHBondContact O-N 2.99Å; F75-L79 VanDerWaalsContact O-N 3.11Å; L79-K81 PolarHBondContact O-N 3.17Å; L79-K81 VanDerWaalsContact O-N 3.13Å; L79-C82 WeakPolarHBondContact O-CB 3.46Å; L79-C82 PolarHBondContact O-N 2.02Å; L79-N83 PolarHBondContact O-N 3.39Å; L79-N83 PolarHBondContact O-ND2 3.18Å |
| 80 | P | 94.5 | Very high | 91.9 | Very high | 60 Ų | 60 | 73.2 Ų | 73.2 | 39% | 0.39 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -54.2 | -34.3 | 177.1 | -28.8 | 35.9 | 0 | 0 | 0 | 112.7 | D76 C78 C82 N83 D84 | D76-P80 WeakPolarHBondContact O-CD 3.17Å; C78-P80 VanDerWaalsContact C-CD 3.44Å; P80-C82 VanDerWaalsContact C-N 3.28Å; P80-C82 PolarHBondContact O-N 2.81Å; P80-N83 PolarHBondContact O-N 3.45Å; P80-D84 VanDerWaalsContact O-CB 3.22Å; P80-D84 WeakPolarHBondContact O-CB 3.44Å; P80-D84 PolarHBondContact O-N 3.3Å |
| 81 | K | 91.9 | Very high | 91.9 | Very high | 113 Ų | 113 | 75 Ų | 75 | 49% | 0.491 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.7 | -31.4 | 178.9 | -58.6 | -178.6 | 179.4 | 175.2 | 0 | 113.2 | C78 L79 V86 Q87 | C78-K81 VanDerWaalsContact O-CB 3.3Å; C78-K81 WeakPolarHBondContact O-CB 3.37Å; C78-K81 PolarHBondContact O-N 3.05Å; L79-K81 PolarHBondContact O-N 3.17Å; L79-K81 VanDerWaalsContact O-N 3.13Å; K81-V86 PolarHBondContact O-N 3.46Å; K81-Q87 HydrophobicContact CB-CB 4.47Å; K81-Q87 HydrophobicContact CB-CG 3.59Å; K81-Q87 HydrophobicContact CD-CG 4.33Å; K81-Q87 HydrophobicContact CG-CG 4.46Å; K81-Q87 PolarHBondContact O-N 2.88Å; K81-Q87 VanDerWaalsContact O-N 3.15Å |
| 82 | C | 93.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 73.8 Ų | 73.8 | 1% | 0.007 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -78 | -45.7 | 173.9 | -53.6 | 0 | 0 | 0 | 0 | 110.9 | C61 Y62 L79 P80 R85 | C61-C82 HydrophobicContact CB-CB 3.84Å; C61-C82 WeakPolarHBondContact CB-SG 3.45Å; C61-C82 WeakPolarHBondContact SG-CA 3.4Å; C61-C82 WeakPolarHBondContact SG-CB 3.36Å; C61-C82 CovalentContact SG-SG 2.04Å; C61-C82 PolarHBondContact SG-SG 3.31Å; Y62-C82 HydrophobicContact CD2-CB 3.79Å; Y62-C82 HydrophobicContact CE2-CB 3.65Å; L79-C82 WeakPolarHBondContact O-CB 3.46Å; L79-C82 PolarHBondContact O-N 2.02Å; P80-C82 VanDerWaalsContact C-N 3.28Å; P80-C82 PolarHBondContact O-N 2.81Å; C82-R85 PolarHBondContact O-N 3.34Å |
| 83 | N | 91.2 | Very high | 91.8 | Very high | 88 Ų | 88 | 70.8 Ų | 70.8 | 47% | 0.471 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -69.1 | -41.3 | -175.8 | -73.3 | -40.4 | 0 | 0 | 0 | 113.7 | Y62 L79 P80 R85 | Y62-N83 PolarHBondContact OH-ND2 3.38Å; Y62-N83 PolarHBondContact OH-OD1 2.83Å; L79-N83 PolarHBondContact O-N 3.39Å; L79-N83 PolarHBondContact O-ND2 3.18Å; P80-N83 PolarHBondContact O-N 3.45Å; N83-R85 PolarHBondContact O-N 3.15Å; N83-R85 VanDerWaalsContact O-N 3.15Å |
| 84 | D | 89 | Confident | 91.8 | Very high | 116 Ų | 116 | 71 Ų | 71 | 62% | 0.62 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | 2.4 | 178.4 | -62.3 | -24.2 | 0 | 0 | 0 | 112.1 | P80 V86 | P80-D84 VanDerWaalsContact O-CB 3.22Å; P80-D84 WeakPolarHBondContact O-CB 3.44Å; P80-D84 PolarHBondContact O-N 3.3Å; D84-V86 HydrophobicContact CB-CG2 3.94Å; D84-V86 PolarHBondContact O-N 3.27Å |
| 85 | R | 81.5 | Confident | 91.7 | Very high | 189 Ų | 189 | 71.9 Ų | 71.9 | 71% | 0.713 | 35% | 0.352 | S | S | * | . | S | Bend | trans | 62.3 | 7.3 | 179.7 | -50.1 | -171.1 | 174.2 | -174.3 | -3.7 | 115.4 | C82 N83 Q87 L88 | C82-R85 PolarHBondContact O-N 3.34Å; N83-R85 PolarHBondContact O-N 3.15Å; N83-R85 VanDerWaalsContact O-N 3.15Å; R85-Q87 PolarHBondContact O-N 3.04Å; R85-L88 HydrophobicContact CB-CD1 3.81Å; R85-L88 HydrophobicContact CB-CG 4.23Å; R85-L88 HydrophobicContact CG-CD1 3.72Å; R85-L88 PolarHBondContact O-N 3.15Å |
| 86 | V | 78.5 | Confident | 91.6 | Very high | 103 Ų | 103 | 72.7 Ų | 72.7 | 62% | 0.624 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -33.4 | -178.7 | 179.7 | 0 | 0 | 0 | 0 | 111.8 | K81 D84 | K81-V86 PolarHBondContact O-N 3.46Å; D84-V86 HydrophobicContact CB-CG2 3.94Å; D84-V86 PolarHBondContact O-N 3.27Å |
| 87 | Q | 78.9 | Confident | 91.6 | Very high | 62 Ų | 62 | 69.9 Ų | 69.9 | 29% | 0.29 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 1.5 | 179.6 | -66.5 | -70.8 | -38.4 | 0 | 0 | 113.9 | K81 R85 T89 N92 | K81-Q87 HydrophobicContact CB-CB 4.47Å; K81-Q87 HydrophobicContact CB-CG 3.59Å; K81-Q87 HydrophobicContact CD-CG 4.33Å; K81-Q87 HydrophobicContact CG-CG 4.46Å; K81-Q87 PolarHBondContact O-N 2.88Å; K81-Q87 VanDerWaalsContact O-N 3.15Å; R85-Q87 PolarHBondContact O-N 3.04Å; Q87-T89 PolarHBondContact O-N 3.18Å; Q87-N92 WeakPolarHBondContact O-CB 3.29Å; Q87-N92 PolarHBondContact O-ND2 3.29Å; Q87-N92 VanDerWaalsContact OE1-CG 3.27Å; Q87-N92 PolarHBondContact OE1-ND2 3.21Å |
| 88 | L | 87.6 | Confident | 91.6 | Very high | 24 Ų | 24 | 64 Ų | 64 | 13% | 0.126 | 32% | 0.322 | C | S | . | . | trans | -82.7 | 68.7 | -176 | -56.4 | -175.6 | 0 | 0 | 0 | 110.7 | Q57 C61 R85 | Q57-L88 HydrophobicContact CB-CB 4.3Å; Q57-L88 HydrophobicContact CB-CD2 4.02Å; Q57-L88 WeakPolarHBondContact O-CD2 3Å; Q57-L88 VanDerWaalsContact OE1-C 3.25Å; Q57-L88 PolarHBondContact OE1-O 3.06Å; Q57-L88 VanDerWaalsContact OE1-O 3.06Å; C61-L88 HydrophobicContact CB-CD2 4.21Å; R85-L88 HydrophobicContact CB-CD1 3.81Å; R85-L88 HydrophobicContact CB-CG 4.23Å; R85-L88 HydrophobicContact CG-CD1 3.72Å; R85-L88 PolarHBondContact O-N 3.15Å | ||
| 89 | T | 91.6 | Very high | 91.4 | Very high | 60 Ų | 60 | 67.8 Ų | 67.8 | 37% | 0.368 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -116 | 156.6 | 170.4 | 70.9 | 0 | 0 | 0 | 0 | 109.1 | Q87 E91 N92 C93 | Q87-T89 PolarHBondContact O-N 3.18Å; T89-E91 VanDerWaalsContact C-N 3.29Å; T89-E91 PolarHBondContact O-N 3.3Å; T89-N92 PolarHBondContact O-N 3.42Å; T89-N92 WeakPolarHBondContact OG1-CB 3.01Å; T89-N92 VanDerWaalsContact OG1-CG 3.28Å; T89-N92 PolarHBondContact OG1-N 3.47Å; T89-N92 PolarHBondContact OG1-ND2 3.13Å; T89-N92 VanDerWaalsContact OG1-ND2 3.08Å; T89-C93 WeakPolarHBondContact O-CB 3.4Å; T89-C93 PolarHBondContact O-N 3.42Å |
| 90 | E | 93.1 | Very high | 91.3 | Very high | 79 Ų | 79 | 69 Ų | 69 | 37% | 0.369 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58.2 | -42.7 | 175.2 | 176.1 | 178.6 | 165.5 | 0 | 0 | 111.7 | C93 R94 C111 | E90-C93 PolarHBondContact O-N 2.98Å; E90-R94 WeakPolarHBondContact O-CG 3.43Å; E90-R94 PolarHBondContact O-N 2.04Å; E90-R94 IonicContact OE1-CZ 2.65Å; E90-R94 IonicContact OE1-NE 3.47Å; E90-R94 IonicContact OE1-NH1 3.04Å; E90-R94 PolarHBondContact OE1-NH1 2.96Å; E90-R94 IonicContact OE1-NH2 3.34Å; E90-R94 PolarHBondContact OE1-NH2 2.84Å; E90-C111 WeakPolarHBondContact CB-O 3.41Å; E90-C111 HydrophobicContact CG-CB 4.38Å; E90-C111 WeakPolarHBondContact CG-O 3.38Å |
| 91 | E | 94.6 | Very high | 91.1 | Very high | 138 Ų | 138 | 66.8 Ų | 66.8 | 65% | 0.645 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -61.9 | -48 | 179.4 | -176.4 | -178.4 | 174.3 | 0 | 0 | 112.2 | T89 R94 N95 | T89-E91 VanDerWaalsContact C-N 3.29Å; T89-E91 PolarHBondContact O-N 3.3Å; E91-R94 PolarHBondContact O-N 3.48Å; E91-N95 PolarHBondContact O-N 3.4Å; E91-N95 PolarHBondContact O-ND2 3.31Å |
| 92 | N | 94.4 | Very high | 91 | Very high | 37 Ų | 37 | 63.1 Ų | 63.1 | 20% | 0.198 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.8 | -40.9 | 179 | -70.2 | -26.3 | 0 | 0 | 0 | 111.3 | Q87 T89 R94 N95 D96 | Q87-N92 WeakPolarHBondContact O-CB 3.29Å; Q87-N92 PolarHBondContact O-ND2 3.29Å; Q87-N92 VanDerWaalsContact OE1-CG 3.27Å; Q87-N92 PolarHBondContact OE1-ND2 3.21Å; T89-N92 PolarHBondContact O-N 3.42Å; T89-N92 WeakPolarHBondContact OG1-CB 3.01Å; T89-N92 VanDerWaalsContact OG1-CG 3.28Å; T89-N92 PolarHBondContact OG1-N 3.47Å; T89-N92 PolarHBondContact OG1-ND2 3.13Å; T89-N92 VanDerWaalsContact OG1-ND2 3.08Å; N92-R94 VanDerWaalsContact C-N 3.3Å; N92-R94 PolarHBondContact O-N 3.37Å; N92-N95 WeakPolarHBondContact O-CB 3.4Å; N92-N95 PolarHBondContact O-N 3.28Å; N92-N95 VanDerWaalsContact O-N 3.16Å; N92-D96 PolarHBondContact O-N 2.65Å |
| 93 | C | 95.5 | Very high | 90.9 | Very high | 3 Ų | 3 | 63.1 Ų | 63.1 | 2% | 0.02 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -56.8 | -45.1 | 173.2 | 176.1 | 0 | 0 | 0 | 0 | 111.3 | Q57 T89 E90 N95 D96 C97 C111 | Q57-C93 HydrophobicContact CB-CB 4.13Å; Q57-C93 HydrophobicContact CG-CB 3.82Å; T89-C93 WeakPolarHBondContact O-CB 3.4Å; T89-C93 PolarHBondContact O-N 3.42Å; E90-C93 PolarHBondContact O-N 2.98Å; C93-N95 VanDerWaalsContact C-N 3.31Å; C93-N95 PolarHBondContact O-N 3Å; C93-D96 PolarHBondContact O-N 2.99Å; C93-C97 WeakPolarHBondContact O-CB 3.49Å; C93-C97 PolarHBondContact O-N 2.04Å; C93-C111 HydrophobicContact CB-CB 3.58Å; C93-C111 WeakPolarHBondContact CB-SG 3.47Å; C93-C111 PolarHBondContact O-SG 2.83Å; C93-C111 VanDerWaalsContact O-SG 3.4Å; C93-C111 WeakPolarHBondContact SG-CA 3.22Å; C93-C111 WeakPolarHBondContact SG-CB 3.34Å; C93-C111 CovalentContact SG-SG 2.04Å; C93-C111 PolarHBondContact SG-SG 3.03Å |
| 94 | R | 95.6 | Very high | 90.9 | Very high | 110 Ų | 110 | 64.4 Ų | 64.4 | 42% | 0.415 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.7 | -40.5 | 177.4 | -76.8 | 179.8 | 175.4 | 168.7 | 6 | 112.2 | E90 E91 N92 G98 C107 C111 | E90-R94 WeakPolarHBondContact O-CG 3.43Å; E90-R94 PolarHBondContact O-N 2.04Å; E90-R94 IonicContact OE1-CZ 2.65Å; E90-R94 IonicContact OE1-NE 3.47Å; E90-R94 IonicContact OE1-NH1 3.04Å; E90-R94 PolarHBondContact OE1-NH1 2.96Å; E90-R94 IonicContact OE1-NH2 3.34Å; E90-R94 PolarHBondContact OE1-NH2 2.84Å; E91-R94 PolarHBondContact O-N 3.48Å; N92-R94 VanDerWaalsContact C-N 3.3Å; N92-R94 PolarHBondContact O-N 3.37Å; R94-G98 PolarHBondContact O-N 3.39Å; R94-C107 HydrophobicContact CG-CB 4.34Å; R94-C111 HydrophobicContact CG-CB 3.79Å; R94-C111 PolarHBondContact N-SG 3.33Å; R94-C111 VanDerWaalsContact N-SG 3.37Å |
| 95 | N | 95.5 | Very high | 91 | Very high | 83 Ų | 83 | 63 Ų | 63 | 44% | 0.444 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.6 | -44.1 | 176.7 | -71.8 | -33.5 | 0 | 0 | 0 | 112.2 | E91 N92 C93 R99 | E91-N95 PolarHBondContact O-N 3.4Å; E91-N95 PolarHBondContact O-ND2 3.31Å; N92-N95 WeakPolarHBondContact O-CB 3.4Å; N92-N95 PolarHBondContact O-N 3.28Å; N92-N95 VanDerWaalsContact O-N 3.16Å; C93-N95 VanDerWaalsContact C-N 3.31Å; C93-N95 PolarHBondContact O-N 3Å; N95-R99 WeakPolarHBondContact O-CG 3.04Å; N95-R99 PolarHBondContact O-N 3.47Å |
| 96 | D | 95.3 | Very high | 91.5 | Very high | 17 Ų | 17 | 54 Ų | 54 | 9% | 0.091 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -71.5 | -41.2 | 179.3 | -71.1 | -32.4 | 0 | 0 | 0 | 111.8 | Y60 N92 C93 R99 | Y60-D96 WeakPolarHBondContact O-CB 3.49Å; N92-D96 PolarHBondContact O-N 2.65Å; C93-D96 PolarHBondContact O-N 2.99Å; D96-R99 PolarHBondContact O-N 3.29Å; D96-R99 IonicContact OD1-CZ 3.72Å; D96-R99 IonicContact OD1-NH1 2.78Å; D96-R99 PolarHBondContact OD1-NH1 3.25Å |
| 97 | C | 95.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.1 | -52.9 | 171.5 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | Y60 C93 R99 V100 T101 C107 | Y60-C97 VanDerWaalsContact CD1-CA 3.47Å; Y60-C97 HydrophobicContact CD1-CB 3.6Å; Y60-C97 HydrophobicContact CD2-CB 4.17Å; Y60-C97 HydrophobicContact CE1-CB 3.9Å; Y60-C97 HydrophobicContact CE2-CB 4.48Å; Y60-C97 HydrophobicContact CG-CB 3.73Å; C93-C97 WeakPolarHBondContact O-CB 3.49Å; C93-C97 PolarHBondContact O-N 2.04Å; C97-R99 PolarHBondContact O-N 3.11Å; C97-V100 VanDerWaalsContact O-CG2 3.29Å; C97-V100 WeakPolarHBondContact O-CG2 3.42Å; C97-V100 PolarHBondContact O-N 3.28Å; C97-T101 VanDerWaalsContact O-CG2 3.29Å; C97-T101 WeakPolarHBondContact O-CG2 3.47Å; C97-T101 PolarHBondContact O-N 3.04Å; C97-C107 HydrophobicContact CB-CB 3.73Å; C97-C107 WeakPolarHBondContact CB-SG 3.5Å; C97-C107 WeakPolarHBondContact SG-CA 3.18Å; C97-C107 WeakPolarHBondContact SG-CB 3.1Å; C97-C107 CovalentContact SG-SG 2.04Å; C97-C107 PolarHBondContact SG-SG 2.96Å |
| 98 | G | 95 | Very high | 92.9 | Very high | 21 Ų | 21 | 47.8 Ų | 47.8 | 22% | 0.216 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.4 | -10.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | R94 H104 C107 | R94-G98 PolarHBondContact O-N 3.39Å; G98-H104 PolarHBondContact O-CE1 3.16Å; G98-C107 PolarHBondContact N-SG 2.79Å; G98-C107 VanDerWaalsContact N-SG 3.36Å |
| 99 | R | 91.7 | Very high | 92.9 | Very high | 111 Ų | 111 | 49.7 Ų | 49.7 | 42% | 0.419 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -83.9 | -23.7 | 171.2 | -70.3 | 167.8 | -172.9 | 157.5 | 5.4 | 113 | H67 N68 N95 D96 C97 | H67-R99 PolarHBondContact NE2-O 3.5Å; N68-R99 PolarHBondContact ND2-NH1 3.41Å; N95-R99 WeakPolarHBondContact O-CG 3.04Å; N95-R99 PolarHBondContact O-N 3.47Å; D96-R99 PolarHBondContact O-N 3.29Å; D96-R99 IonicContact OD1-CZ 3.72Å; D96-R99 IonicContact OD1-NH1 2.78Å; D96-R99 PolarHBondContact OD1-NH1 3.25Å; C97-R99 PolarHBondContact O-N 3.11Å |
| 100 | V | 91.7 | Very high | 93 | Very high | 35 Ų | 35 | 47.1 Ų | 47.1 | 21% | 0.212 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -113.8 | -3 | -169.7 | -56.5 | 0 | 0 | 0 | 0 | 114.1 | Y60 L63 H67 C97 | Y60-V100 HydrophobicContact CD1-CG2 3.81Å; Y60-V100 HydrophobicContact CE1-CG2 3.91Å; L63-V100 HydrophobicContact CB-CG1 4.18Å; L63-V100 HydrophobicContact CB-CG2 4.21Å; L63-V100 HydrophobicContact CD1-CG2 4.32Å; H67-V100 HydrophobicContact CB-CG1 3.71Å; C97-V100 VanDerWaalsContact O-CG2 3.29Å; C97-V100 WeakPolarHBondContact O-CG2 3.42Å; C97-V100 PolarHBondContact O-N 3.28Å |
| 101 | T | 91.6 | Very high | 93 | Very high | 13 Ų | 13 | 43.4 Ų | 43.4 | 8% | 0.08 | 22% | 0.222 | C | C | . | . | trans | -123.9 | 152.2 | 174.8 | 176.9 | 0 | 0 | 0 | 0 | 111.3 | C97 H103 C107 D127 | C97-T101 VanDerWaalsContact O-CG2 3.29Å; C97-T101 WeakPolarHBondContact O-CG2 3.47Å; C97-T101 PolarHBondContact O-N 3.04Å; T101-H103 PolarHBondContact OG1-N 3.14Å; T101-C107 VanDerWaalsContact CG2-SG 3.58Å; T101-D127 WeakPolarHBondContact CB-OD1 3.45Å; T101-D127 WeakPolarHBondContact CB-OD2 3.09Å; T101-D127 PolarHBondContact OG1-OD1 3.48Å; T101-D127 PolarHBondContact OG1-OD2 2.86Å | ||
| 102 | S | 89.8 | Confident | 92.5 | Very high | 36 Ų | 36 | 39.3 Ų | 39.3 | 25% | 0.252 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -88.1 | -14.2 | 164.9 | 61.9 | 0 | 0 | 0 | 0 | 113.8 | P131 E133 | S102-P131 PolarHBondContact OG-O 3.23Å; S102-P131 VanDerWaalsContact OG-O 3.06Å; S102-E133 PolarHBondContact OG-N 2.88Å |
| 103 | H | 91.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | trans | -101 | 73.6 | -178 | -62.4 | -74.6 | 0 | 0 | 0 | 109.7 | T101 E105 L106 D127 H130 R132 E133 Y138 | T101-H103 PolarHBondContact OG1-N 3.14Å; H103-E105 WeakPolarHBondContact CA-OE2 3.15Å; H103-E105 IonicContact ND1-OE1 3.92Å; H103-E105 PolarHBondContact O-N 3.21Å; H103-E105 VanDerWaalsContact O-N 3.08Å; H103-L106 WeakPolarHBondContact O-CB 3.01Å; H103-L106 PolarHBondContact O-N 2.04Å; H103-D127 IonicContact CD2-OD1 3.35Å; H103-D127 PolarHBondContact CD2-OD1 3.41Å; H103-H130 PolarHBondContact NE2-O 3.11Å; H103-R132 PolarHBondContact CE1-O 3.29Å; H103-R132 VanDerWaalsContact CE1-O 3.3Å; H103-R132 PolarHBondContact NE2-O 2.78Å; H103-E133 VanDerWaalsContact CE1-CA 3.43Å; H103-E133 WeakPolarHBondContact CE1-CA 3.4Å; H103-E133 PolarHBondContact CE1-O 3.39Å; H103-Y138 HydrophobicContact CB-CD1 4.44Å; H103-Y138 HydrophobicContact CB-CE1 3.78Å; H103-Y138 HydrophobicContact CB-CE2 4.17Å; H103-Y138 AromaticContact CD2-CD2 3.71Å; H103-Y138 AromaticContact CD2-CE2 3.79Å; H103-Y138 AromaticContact CD2-CG 3.97Å; H103-Y138 AromaticContact CE1-CD1 3.59Å; H103-Y138 AromaticContact CE1-CG 3.47Å; H103-Y138 VanDerWaalsContact CE1-CG 3.47Å; H103-Y138 AromaticContact CG-CD1 3.81Å; H103-Y138 AromaticContact CG-CE1 3.65Å; H103-Y138 AromaticContact CG-CE2 3.89Å; H103-Y138 AromaticContact CG-CG 4Å; H103-Y138 AromaticContact CG-CZ 3.69Å; H103-Y138 AromaticContact ND1-CD1 3.4Å; H103-Y138 WeakPolarHBondContact ND1-CD1 3.49Å; H103-Y138 AromaticContact ND1-CE1 3.62Å; H103-Y138 AromaticContact ND1-CG 3.73Å; H103-Y138 AromaticContact NE2-CD2 3.71Å; H103-Y138 AromaticContact NE2-CG 3.65Å | ||
| 104 | H | 91.4 | Very high | 90.3 | Very high | 115 Ų | 115 | 41.5 Ų | 41.5 | 53% | 0.532 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -24.9 | -172.8 | -67.5 | -79 | 0 | 0 | 0 | 114.4 | G98 L106 C107 | G98-H104 PolarHBondContact O-CE1 3.16Å; H104-L106 PolarHBondContact O-N 3.35Å; H104-C107 WeakPolarHBondContact O-CB 3.33Å; H104-C107 PolarHBondContact O-N 2.97Å; H104-C107 VanDerWaalsContact O-N 3.16Å |
| 105 | E | 90.3 | Very high | 89.2 | Confident | 86 Ų | 86 | 44.3 Ų | 44.3 | 40% | 0.402 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.1 | -31.2 | 175 | 72.7 | -81.6 | -162.5 | 0 | 0 | 112.5 | H103 C107 G108 Y138 | H103-E105 WeakPolarHBondContact CA-OE2 3.15Å; H103-E105 IonicContact ND1-OE1 3.92Å; H103-E105 PolarHBondContact O-N 3.21Å; H103-E105 VanDerWaalsContact O-N 3.08Å; E105-C107 PolarHBondContact O-N 3.34Å; E105-G108 PolarHBondContact O-N 2.89Å; E105-Y138 VanDerWaalsContact OE1-CE1 3.29Å; E105-Y138 WeakPolarHBondContact OE1-CE1 3.04Å |
| 106 | L | 91.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -54.4 | -39.2 | 174.7 | -177.9 | 148.4 | 0 | 0 | 0 | 111.5 | Y60 H103 H104 G108 D109 V110 L123 D127 Y138 | Y60-L106 WeakPolarHBondContact OH-CD2 3.08Å; H103-L106 WeakPolarHBondContact O-CB 3.01Å; H103-L106 PolarHBondContact O-N 2.04Å; H104-L106 PolarHBondContact O-N 3.35Å; L106-G108 PolarHBondContact O-N 3.21Å; L106-D109 WeakPolarHBondContact O-CB 3.38Å; L106-D109 PolarHBondContact O-N 3.27Å; L106-V110 HydrophobicContact CD2-CB 4.48Å; L106-V110 HydrophobicContact CD2-CG1 3.93Å; L106-V110 HydrophobicContact CD2-CG2 3.71Å; L106-V110 HydrophobicContact CG-CG1 4.27Å; L106-V110 WeakPolarHBondContact O-CG2 3.34Å; L106-V110 PolarHBondContact O-N 2.81Å; L106-L123 HydrophobicContact CD1-CB 3.72Å; L106-L123 VanDerWaalsContact CD1-O 3.31Å; L106-L123 WeakPolarHBondContact CD1-O 3.48Å; L106-L123 HydrophobicContact CG-CB 4.14Å; L106-D127 HydrophobicContact CD1-CB 3.94Å; L106-Y138 WeakPolarHBondContact CB-OH 3.38Å; L106-Y138 HydrophobicContact CD1-CE2 4.46Å; L106-Y138 WeakPolarHBondContact CD1-OH 3.49Å |
| 107 | C | 94.7 | Very high | 88 | Confident | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.034 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.6 | -27.4 | -176.7 | -55.7 | 0 | 0 | 0 | 0 | 111.8 | R94 C97 G98 T101 H104 E105 C111 | R94-C107 HydrophobicContact CG-CB 4.34Å; C97-C107 HydrophobicContact CB-CB 3.73Å; C97-C107 WeakPolarHBondContact CB-SG 3.5Å; C97-C107 WeakPolarHBondContact SG-CA 3.18Å; C97-C107 WeakPolarHBondContact SG-CB 3.1Å; C97-C107 CovalentContact SG-SG 2.04Å; C97-C107 PolarHBondContact SG-SG 2.96Å; G98-C107 PolarHBondContact N-SG 2.79Å; G98-C107 VanDerWaalsContact N-SG 3.36Å; T101-C107 VanDerWaalsContact CG2-SG 3.58Å; H104-C107 WeakPolarHBondContact O-CB 3.33Å; H104-C107 PolarHBondContact O-N 2.97Å; H104-C107 VanDerWaalsContact O-N 3.16Å; E105-C107 PolarHBondContact O-N 3.34Å; C107-C111 WeakPolarHBondContact O-CB 3.39Å; C107-C111 PolarHBondContact O-N 3.43Å; C107-C111 PolarHBondContact O-SG 3.44Å |
| 108 | G | 92 | Very high | 87.6 | Confident | 30 Ų | 30 | 43.1 Ų | 43.1 | 31% | 0.309 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112 | E105 L106 | E105-G108 PolarHBondContact O-N 2.89Å; L106-G108 PolarHBondContact O-N 3.21Å |
| 109 | D | 89.5 | Confident | 87.4 | Confident | 64 Ų | 64 | 43 Ų | 43 | 34% | 0.342 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -73.9 | -42.3 | -174.1 | -61.4 | -17.4 | 0 | 0 | 0 | 112.1 | L106 L123 Y146 | L106-D109 WeakPolarHBondContact O-CB 3.38Å; L106-D109 PolarHBondContact O-N 3.27Å; D109-L123 HydrophobicContact CB-CD1 4.02Å; D109-Y146 PolarHBondContact OD1-OH 3.06Å; D109-Y146 PolarHBondContact OD2-OH 3.5Å |
| 110 | V | 91.8 | Very high | 87.4 | Confident | 6 Ų | 6 | 38.5 Ų | 38.5 | 4% | 0.036 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -87.8 | -29 | -173.8 | -58.2 | 0 | 0 | 0 | 0 | 113.9 | P56 Y60 L106 P120 L123 | P56-V110 HydrophobicContact CB-CB 4.14Å; P56-V110 VanDerWaalsContact CB-O 3.32Å; P56-V110 WeakPolarHBondContact CB-O 3.48Å; P56-V110 WeakPolarHBondContact CG-O 3.01Å; Y60-V110 HydrophobicContact CD2-CG2 4.05Å; Y60-V110 HydrophobicContact CE2-CB 4.2Å; Y60-V110 HydrophobicContact CE2-CG2 3.41Å; Y60-V110 VanDerWaalsContact CE2-CG2 3.41Å; L106-V110 HydrophobicContact CD2-CB 4.48Å; L106-V110 HydrophobicContact CD2-CG1 3.93Å; L106-V110 HydrophobicContact CD2-CG2 3.71Å; L106-V110 HydrophobicContact CG-CG1 4.27Å; L106-V110 WeakPolarHBondContact O-CG2 3.34Å; L106-V110 PolarHBondContact O-N 2.81Å; V110-P120 HydrophobicContact CB-CB 4.3Å; V110-P120 HydrophobicContact CG1-CB 4.05Å; V110-L123 HydrophobicContact CG1-CB 4.21Å; V110-L123 HydrophobicContact CG1-CD1 3.65Å |
| 111 | C | 93.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -87.2 | -9 | -170.6 | -70.1 | 0 | 0 | 0 | 0 | 115.3 | Q57 E90 C93 R94 C107 G113 | Q57-C111 PolarHBondContact NE2-O 3.47Å; E90-C111 WeakPolarHBondContact CB-O 3.41Å; E90-C111 HydrophobicContact CG-CB 4.38Å; E90-C111 WeakPolarHBondContact CG-O 3.38Å; C93-C111 HydrophobicContact CB-CB 3.58Å; C93-C111 WeakPolarHBondContact CB-SG 3.47Å; C93-C111 PolarHBondContact O-SG 2.83Å; C93-C111 VanDerWaalsContact O-SG 3.4Å; C93-C111 WeakPolarHBondContact SG-CA 3.22Å; C93-C111 WeakPolarHBondContact SG-CB 3.34Å; C93-C111 CovalentContact SG-SG 2.04Å; C93-C111 PolarHBondContact SG-SG 3.03Å; R94-C111 HydrophobicContact CG-CB 3.79Å; R94-C111 PolarHBondContact N-SG 3.33Å; R94-C111 VanDerWaalsContact N-SG 3.37Å; C107-C111 WeakPolarHBondContact O-CB 3.39Å; C107-C111 PolarHBondContact O-N 3.43Å; C107-C111 PolarHBondContact O-SG 3.44Å; C111-G113 PolarHBondContact O-N 3.2Å; C111-G113 VanDerWaalsContact O-N 3.17Å |
| 112 | G | 85.3 | Confident | 87.6 | Confident | 52 Ų | 52 | 37.3 Ų | 37.3 | 54% | 0.536 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -11.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 113 | G | 73.2 | Confident | 87.8 | Confident | 30 Ų | 30 | 35.6 Ų | 35.6 | 31% | 0.309 | 22% | 0.22 | S | C | . | . | trans | -144.6 | 170.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | P56 C111 | P56-G113 VanDerWaalsContact CG-O 3.29Å; P56-G113 WeakPolarHBondContact CG-O 3.14Å; C111-G113 PolarHBondContact O-N 3.2Å; C111-G113 VanDerWaalsContact O-N 3.17Å | ||
| 114 | N | 69.5 | Low | 87.9 | Confident | 57 Ų | 57 | 35.8 Ų | 35.8 | 31% | 0.305 | 22% | 0.22 | S | C | . | . | trans | -119.4 | 20.2 | 172.2 | -161.3 | 29.3 | 0 | 0 | 0 | 112 | G55 Q57 | G55-N114 WeakPolarHBondContact CA-O 3.05Å; G55-N114 VanDerWaalsContact CA-OD1 3.28Å; G55-N114 WeakPolarHBondContact CA-OD1 2.77Å; Q57-N114 HydrophobicContact CB-CB 4.46Å; Q57-N114 WeakPolarHBondContact CB-OD1 3.07Å; Q57-N114 HydrophobicContact CG-CB 4.15Å; Q57-N114 PolarHBondContact N-OD1 3.16Å | ||
| 115 | H | 73.2 | Confident | 88.1 | Confident | 169 Ų | 169 | 30.9 Ų | 30.9 | 78% | 0.782 | 20% | 0.198 | S | C | * | . | trans | -78.7 | 127.8 | 170 | -63.1 | -63.8 | 0 | 0 | 0 | 107.9 | P56 | P56-H115 VanDerWaalsContact CD-O 3.29Å; P56-H115 WeakPolarHBondContact CD-O 3.44Å | ||
| 116 | G | 80.5 | Confident | 88.2 | Confident | 28 Ų | 28 | 26.8 Ų | 26.8 | 29% | 0.289 | 18% | 0.179 | S | C | . | . | trans | -66.3 | 169.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | S52 T54 | S52-G116 CarbonylContact O-C 3.14Å; S52-G116 WeakPolarHBondContact O-CA 3.34Å; T54-G116 VanDerWaalsContact O-CA 3.29Å; T54-G116 WeakPolarHBondContact O-CA 3.35Å | ||
| 117 | G | 85.5 | Confident | 88.3 | Confident | 22 Ų | 22 | 26.9 Ų | 26.9 | 23% | 0.227 | 18% | 0.18 | C | C | . | . | trans | 168.3 | 174.1 | 177 | 0 | 0 | 0 | 0 | 0 | 110.6 | S52 F119 P120 L121 | S52-G117 PolarHBondContact O-N 3.02Å; G117-F119 VanDerWaalsContact C-N 3.33Å; G117-P120 WeakPolarHBondContact O-CD 3.41Å; G117-L121 WeakPolarHBondContact O-CG 3.29Å | ||
| 118 | S | 87.8 | Confident | 88.2 | Confident | 25 Ų | 25 | 28.5 Ų | 28.5 | 18% | 0.175 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -72.7 | -27.6 | 175.1 | 54.5 | 0 | 0 | 0 | 0 | 112.6 | L121 C122 | S118-L121 PolarHBondContact O-N 3.35Å; S118-C122 VanDerWaalsContact O-CB 3.32Å; S118-C122 WeakPolarHBondContact O-CB 3.49Å; S118-C122 PolarHBondContact O-N 3.11Å |
| 119 | F | 90.2 | Very high | 88.3 | Confident | 17 Ų | 17 | 31.7 Ų | 31.7 | 8% | 0.075 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57 | -56.9 | -179 | 177.1 | -107.7 | 0 | 0 | 0 | 114.2 | G117 L121 C122 L123 C145 Y146 E149 | G117-F119 VanDerWaalsContact C-N 3.33Å; F119-L121 VanDerWaalsContact C-N 3.26Å; F119-L121 PolarHBondContact O-N 3.25Å; F119-C122 WeakPolarHBondContact O-CB 3.09Å; F119-C122 PolarHBondContact O-N 3.16Å; F119-C122 VanDerWaalsContact O-N 3.14Å; F119-L123 HydrophobicContact CD1-CD1 4.33Å; F119-L123 HydrophobicContact CE1-CD1 3.61Å; F119-L123 HydrophobicContact CE1-CG 4.48Å; F119-L123 HydrophobicContact CE2-CD1 3.9Å; F119-L123 HydrophobicContact CE2-CD2 4.45Å; F119-L123 HydrophobicContact CE2-CG 4.09Å; F119-L123 HydrophobicContact CZ-CD1 3.37Å; F119-L123 HydrophobicContact CZ-CG 4.08Å; F119-L123 PolarHBondContact O-N 2.67Å; F119-C145 HydrophobicContact CD2-CB 4.07Å; F119-C145 HydrophobicContact CE2-CB 4.13Å; F119-Y146 AromaticContact CE2-CD1 3.9Å; F119-Y146 HydrophobicContact CE2-CD1 3.9Å; F119-Y146 HydrophobicContact CE2-CD2 4.26Å; F119-Y146 HydrophobicContact CE2-CE1 4.01Å; F119-Y146 HydrophobicContact CE2-CE2 4.33Å; F119-Y146 HydrophobicContact CE2-CG 4.05Å; F119-Y146 HydrophobicContact CZ-CD1 4.1Å; F119-Y146 AromaticContact CZ-CE1 3.71Å; F119-Y146 HydrophobicContact CZ-CE1 3.71Å; F119-Y146 HydrophobicContact CZ-CE2 4.23Å; F119-Y146 AromaticContact CZ-CZ 3.79Å; F119-E149 HydrophobicContact CB-CB 4.28Å; F119-E149 HydrophobicContact CB-CG 4.37Å; F119-E149 HydrophobicContact CD2-CB 3.86Å; F119-E149 HydrophobicContact CD2-CG 4.39Å; F119-E149 HydrophobicContact CE2-CB 4.49Å; F119-E149 HydrophobicContact CG-CB 4.21Å; F119-E149 HydrophobicContact CG-CG 4.32Å |
| 120 | P | 91.6 | Very high | 88.4 | Confident | 17 Ų | 17 | 30.4 Ų | 30.4 | 11% | 0.11 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.1 | -33.2 | 178.9 | 24.2 | -34.6 | 0 | 0 | 0 | 112.6 | P56 V110 G117 L123 Y124 | P56-P120 HydrophobicContact CB-CB 4.09Å; P56-P120 HydrophobicContact CG-CB 4.45Å; V110-P120 HydrophobicContact CB-CB 4.3Å; V110-P120 HydrophobicContact CG1-CB 4.05Å; G117-P120 WeakPolarHBondContact O-CD 3.41Å; P120-L123 PolarHBondContact O-N 2.96Å; P120-Y124 WeakPolarHBondContact O-CB 3.4Å; P120-Y124 PolarHBondContact O-N 3.08Å |
| 121 | L | 93.4 | Very high | 88 | Confident | 6 Ų | 6 | 33.8 Ų | 33.8 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.2 | -40.7 | 175.4 | -58 | -179.3 | 0 | 0 | 0 | 111.6 | A27 E28 C31 C50 G117 S118 F119 Y124 N125 | A27-L121 HydrophobicContact CB-CB 4.27Å; E28-L121 HydrophobicContact CG-CD1 3.81Å; C31-L121 HydrophobicContact CB-CD2 4.4Å; C50-L121 WeakPolarHBondContact O-CD1 3.32Å; G117-L121 WeakPolarHBondContact O-CG 3.29Å; S118-L121 PolarHBondContact O-N 3.35Å; F119-L121 VanDerWaalsContact C-N 3.26Å; F119-L121 PolarHBondContact O-N 3.25Å; L121-Y124 PolarHBondContact O-N 3.24Å; L121-N125 PolarHBondContact O-N 2.74Å; L121-N125 PolarHBondContact O-ND2 2.87Å; L121-N125 PolarHBondContact O-OD1 3.4Å |
| 122 | C | 93.6 | Very high | 87.7 | Confident | 17 Ų | 17 | 42.2 Ų | 42.2 | 12% | 0.115 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.5 | -47.6 | 175.9 | -176.6 | 0 | 0 | 0 | 0 | 111 | S118 F119 Y124 N125 C126 C145 | S118-C122 VanDerWaalsContact O-CB 3.32Å; S118-C122 WeakPolarHBondContact O-CB 3.49Å; S118-C122 PolarHBondContact O-N 3.11Å; F119-C122 WeakPolarHBondContact O-CB 3.09Å; F119-C122 PolarHBondContact O-N 3.16Å; F119-C122 VanDerWaalsContact O-N 3.14Å; C122-Y124 PolarHBondContact O-N 3.17Å; C122-N125 PolarHBondContact O-N 3.42Å; C122-C126 PolarHBondContact O-N 3.47Å; C122-C126 PolarHBondContact O-SG 3.37Å; C122-C145 HydrophobicContact CB-CB 3.73Å; C122-C145 WeakPolarHBondContact CB-SG 3.46Å; C122-C145 WeakPolarHBondContact SG-CA 3.43Å; C122-C145 WeakPolarHBondContact SG-CB 3.38Å; C122-C145 CovalentContact SG-SG 2.04Å; C122-C145 PolarHBondContact SG-SG 3.43Å |
| 123 | L | 93.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.4 | -42.6 | 177.2 | -71.6 | -175.7 | 0 | 0 | 0 | 112.1 | L106 D109 V110 F119 P120 N125 C126 D127 K142 C145 | L106-L123 HydrophobicContact CD1-CB 3.72Å; L106-L123 VanDerWaalsContact CD1-O 3.31Å; L106-L123 WeakPolarHBondContact CD1-O 3.48Å; L106-L123 HydrophobicContact CG-CB 4.14Å; D109-L123 HydrophobicContact CB-CD1 4.02Å; V110-L123 HydrophobicContact CG1-CB 4.21Å; V110-L123 HydrophobicContact CG1-CD1 3.65Å; F119-L123 HydrophobicContact CD1-CD1 4.33Å; F119-L123 HydrophobicContact CE1-CD1 3.61Å; F119-L123 HydrophobicContact CE1-CG 4.48Å; F119-L123 HydrophobicContact CE2-CD1 3.9Å; F119-L123 HydrophobicContact CE2-CD2 4.45Å; F119-L123 HydrophobicContact CE2-CG 4.09Å; F119-L123 HydrophobicContact CZ-CD1 3.37Å; F119-L123 HydrophobicContact CZ-CG 4.08Å; F119-L123 PolarHBondContact O-N 2.67Å; P120-L123 PolarHBondContact O-N 2.96Å; L123-N125 PolarHBondContact O-N 3.31Å; L123-C126 WeakPolarHBondContact O-CB 3.39Å; L123-C126 PolarHBondContact O-N 2.98Å; L123-D127 PolarHBondContact O-N 3.33Å; L123-K142 HydrophobicContact CD2-CB 4.23Å; L123-K142 HydrophobicContact CD2-CG 3.91Å; L123-C145 HydrophobicContact CD2-CB 3.81Å; L123-C145 HydrophobicContact CG-CB 4.19Å |
| 124 | Y | 94.2 | Very high | 87.1 | Confident | 5 Ų | 5 | 52.8 Ų | 52.8 | 2% | 0.02 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57 | -48.1 | 172.4 | 172.4 | -106.8 | 0 | 0 | 0 | 111.5 | C31 H34 C35 F59 L63 P120 L121 C122 C126 D127 Q128 | C31-Y124 HydrophobicContact CB-CD1 4.19Å; C31-Y124 HydrophobicContact CB-CE1 4.45Å; H34-Y124 HydrophobicContact CB-CE1 3.92Å; C35-Y124 PolarHBondContact N-OH 3.14Å; F59-Y124 HydrophobicContact CE1-CD1 4.22Å; F59-Y124 AromaticContact CE1-CD2 3.68Å; F59-Y124 HydrophobicContact CE1-CD2 3.68Å; F59-Y124 HydrophobicContact CE1-CE2 4.03Å; F59-Y124 AromaticContact CE1-CG 3.77Å; F59-Y124 HydrophobicContact CE1-CG 3.77Å; F59-Y124 AromaticContact CZ-CD1 3.78Å; F59-Y124 HydrophobicContact CZ-CD1 3.78Å; F59-Y124 AromaticContact CZ-CD2 3.96Å; F59-Y124 HydrophobicContact CZ-CD2 3.96Å; F59-Y124 AromaticContact CZ-CE1 3.83Å; F59-Y124 HydrophobicContact CZ-CE1 3.83Å; F59-Y124 HydrophobicContact CZ-CE2 4.02Å; F59-Y124 AromaticContact CZ-CG 3.83Å; F59-Y124 HydrophobicContact CZ-CG 3.83Å; F59-Y124 AromaticContact CZ-CZ 3.95Å; L63-Y124 HydrophobicContact CD1-CD2 4.38Å; L63-Y124 HydrophobicContact CD1-CE2 3.78Å; P120-Y124 WeakPolarHBondContact O-CB 3.4Å; P120-Y124 PolarHBondContact O-N 3.08Å; L121-Y124 PolarHBondContact O-N 3.24Å; C122-Y124 PolarHBondContact O-N 3.17Å; Y124-C126 VanDerWaalsContact C-N 3.32Å; Y124-C126 PolarHBondContact O-N 3.26Å; Y124-D127 WeakPolarHBondContact O-CB 3.36Å; Y124-D127 PolarHBondContact O-N 3.02Å; Y124-Q128 HydrophobicContact CD1-CG 4.36Å; Y124-Q128 HydrophobicContact CD2-CG 4Å; Y124-Q128 HydrophobicContact CE1-CG 3.96Å; Y124-Q128 HydrophobicContact CE2-CG 3.55Å; Y124-Q128 HydrophobicContact CG-CG 4.39Å; Y124-Q128 VanDerWaalsContact O-CG 3.29Å; Y124-Q128 WeakPolarHBondContact O-CG 3.29Å; Y124-Q128 PolarHBondContact O-N 3.42Å |
| 125 | N | 94.7 | Very high | 87.4 | Confident | 12 Ų | 12 | 52.9 Ų | 52.9 | 6% | 0.064 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.8 | -42.8 | 177.7 | -64.2 | -23.5 | 0 | 0 | 0 | 111.7 | A27 C31 L121 C122 L123 D127 Q128 E129 | A27-N125 PolarHBondContact O-ND2 2.7Å; C31-N125 WeakPolarHBondContact CA-OD1 3.45Å; C31-N125 WeakPolarHBondContact CB-OD1 3.39Å; C31-N125 PolarHBondContact N-OD1 2.87Å; L121-N125 PolarHBondContact O-N 2.74Å; L121-N125 PolarHBondContact O-ND2 2.87Å; L121-N125 PolarHBondContact O-OD1 3.4Å; C122-N125 PolarHBondContact O-N 3.42Å; L123-N125 PolarHBondContact O-N 3.31Å; N125-D127 VanDerWaalsContact C-N 3.32Å; N125-D127 PolarHBondContact O-N 3.16Å; N125-Q128 PolarHBondContact O-N 3.04Å; N125-E129 WeakPolarHBondContact O-CB 3.2Å; N125-E129 WeakPolarHBondContact O-CG 3.4Å; N125-E129 PolarHBondContact O-N 3.39Å |
| 126 | C | 94 | Very high | 87.6 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.007 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.3 | -43 | 175.8 | -67.5 | 0 | 0 | 0 | 0 | 112.7 | C122 L123 Y124 H130 Y138 C141 C145 | C122-C126 PolarHBondContact O-N 3.47Å; C122-C126 PolarHBondContact O-SG 3.37Å; L123-C126 WeakPolarHBondContact O-CB 3.39Å; L123-C126 PolarHBondContact O-N 2.98Å; Y124-C126 VanDerWaalsContact C-N 3.32Å; Y124-C126 PolarHBondContact O-N 3.26Å; C126-H130 WeakPolarHBondContact O-CB 3.21Å; C126-H130 PolarHBondContact O-CD2 2.78Å; C126-H130 PolarHBondContact O-N 2.92Å; C126-H130 VanDerWaalsContact O-N 3.11Å; C126-Y138 HydrophobicContact CB-CD2 4.02Å; C126-Y138 HydrophobicContact CB-CE2 3.94Å; C126-C141 WeakPolarHBondContact CA-SG 3.38Å; C126-C141 HydrophobicContact CB-CB 3.63Å; C126-C141 WeakPolarHBondContact CB-SG 3.39Å; C126-C141 WeakPolarHBondContact SG-CB 3.34Å; C126-C141 CovalentContact SG-SG 2.02Å; C126-C141 PolarHBondContact SG-SG 2.97Å; C126-C145 PolarHBondContact SG-SG 2.83Å |
| 127 | D | 93.9 | Very high | 88 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.011 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 176 | 167.3 | 58.6 | 0 | 0 | 0 | 111.5 | T101 H103 L106 L123 Y124 N125 H130 P131 Y138 | T101-D127 WeakPolarHBondContact CB-OD1 3.45Å; T101-D127 WeakPolarHBondContact CB-OD2 3.09Å; T101-D127 PolarHBondContact OG1-OD1 3.48Å; T101-D127 PolarHBondContact OG1-OD2 2.86Å; H103-D127 IonicContact CD2-OD1 3.35Å; H103-D127 PolarHBondContact CD2-OD1 3.41Å; L106-D127 HydrophobicContact CD1-CB 3.94Å; L123-D127 PolarHBondContact O-N 3.33Å; Y124-D127 WeakPolarHBondContact O-CB 3.36Å; Y124-D127 PolarHBondContact O-N 3.02Å; N125-D127 VanDerWaalsContact C-N 3.32Å; N125-D127 PolarHBondContact O-N 3.16Å; D127-H130 CarbonylContact O-C 3.02Å; D127-H130 PolarHBondContact O-N 3.31Å; D127-P131 WeakPolarHBondContact O-CA 3.3Å; D127-Y138 HydrophobicContact CB-CE2 4.25Å |
| 128 | Q | 92.7 | Very high | 88.2 | Confident | 39 Ų | 39 | 55.8 Ų | 55.8 | 18% | 0.182 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -73.2 | -29.6 | -179.6 | -59.8 | -54.8 | -51.8 | 0 | 0 | 113.7 | H34 N38 Y124 N125 H130 | H34-Q128 HydrophobicContact CB-CB 3.93Å; H34-Q128 HydrophobicContact CB-CG 3.98Å; N38-Q128 PolarHBondContact ND2-OE1 3.28Å; Y124-Q128 HydrophobicContact CD1-CG 4.36Å; Y124-Q128 HydrophobicContact CD2-CG 4Å; Y124-Q128 HydrophobicContact CE1-CG 3.96Å; Y124-Q128 HydrophobicContact CE2-CG 3.55Å; Y124-Q128 HydrophobicContact CG-CG 4.39Å; Y124-Q128 VanDerWaalsContact O-CG 3.29Å; Y124-Q128 WeakPolarHBondContact O-CG 3.29Å; Y124-Q128 PolarHBondContact O-N 3.42Å; N125-Q128 PolarHBondContact O-N 3.04Å; Q128-H130 VanDerWaalsContact C-N 3.31Å |
| 129 | E | 92.4 | Very high | 88.3 | Confident | 96 Ų | 96 | 59.3 Ų | 59.3 | 45% | 0.449 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -74.3 | -23 | 171.8 | -72.9 | -177.9 | 173.2 | 0 | 0 | 112.7 | N125 | N125-E129 WeakPolarHBondContact O-CB 3.2Å; N125-E129 WeakPolarHBondContact O-CG 3.4Å; N125-E129 PolarHBondContact O-N 3.39Å |
| 130 | H | 91.8 | Very high | 88.4 | Confident | 37 Ų | 37 | 65.4 Ų | 65.4 | 17% | 0.171 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -129.9 | 63.1 | -176.8 | -61.1 | -55.2 | 0 | 0 | 0 | 112 | H103 C126 D127 Q128 R132 E135 G137 Y138 | H103-H130 PolarHBondContact NE2-O 3.11Å; C126-H130 WeakPolarHBondContact O-CB 3.21Å; C126-H130 PolarHBondContact O-CD2 2.78Å; C126-H130 PolarHBondContact O-N 2.92Å; C126-H130 VanDerWaalsContact O-N 3.11Å; D127-H130 CarbonylContact O-C 3.02Å; D127-H130 PolarHBondContact O-N 3.31Å; Q128-H130 VanDerWaalsContact C-N 3.31Å; H130-R132 PolarHBondContact O-N 2.9Å; H130-E135 VanDerWaalsContact CA-OE2 3.29Å; H130-E135 WeakPolarHBondContact CA-OE2 3.04Å; H130-E135 HydrophobicContact CB-CB 4.21Å; H130-G137 VanDerWaalsContact CD2-C 3.49Å; H130-Y138 HydrophobicContact CB-CD2 4.45Å; H130-Y138 PolarHBondContact CD2-N 2.92Å |
| 131 | P | 84.9 | Confident | 88.4 | Confident | 77 Ų | 77 | 65.5 Ų | 65.5 | 50% | 0.5 | 30% | 0.298 | S | S | . | . | trans | -69.5 | 5.3 | -167.3 | 30 | -39.6 | 0 | 0 | 0 | 115.6 | S102 D127 E135 | S102-P131 PolarHBondContact OG-O 3.23Å; S102-P131 VanDerWaalsContact OG-O 3.06Å; D127-P131 WeakPolarHBondContact O-CA 3.3Å; P131-E135 WeakPolarHBondContact CD-OE2 3.49Å | ||
| 132 | R | 85.7 | Confident | 88.3 | Confident | 177 Ų | 177 | 67 Ų | 67 | 67% | 0.668 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -116.3 | 136.2 | 173.5 | -57.2 | 180 | -175.4 | 171.1 | 0.9 | 109.5 | H103 H130 Y134 E135 | H103-R132 PolarHBondContact CE1-O 3.29Å; H103-R132 VanDerWaalsContact CE1-O 3.3Å; H103-R132 PolarHBondContact NE2-O 2.78Å; H130-R132 PolarHBondContact O-N 2.9Å; R132-Y134 PolarHBondContact O-N 3.46Å; R132-E135 HydrophobicContact CB-CB 4.26Å; R132-E135 HydrophobicContact CB-CG 3.82Å; R132-E135 WeakPolarHBondContact CD-OE1 3.29Å; R132-E135 HydrophobicContact CG-CG 4.32Å; R132-E135 VanDerWaalsContact CG-OE1 3.23Å; R132-E135 WeakPolarHBondContact CG-OE1 3.43Å; R132-E135 IonicContact NE-OE1 3.55Å; R132-E135 WeakPolarHBondContact O-CB 3.39Å; R132-E135 PolarHBondContact O-N 3.01Å |
| 133 | E | 72.8 | Confident | 88.1 | Confident | 104 Ų | 104 | 72.5 Ų | 72.5 | 49% | 0.486 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.6 | -39.6 | 176.6 | -169.5 | -175.5 | -170 | 0 | 0 | 113.1 | S102 H103 | S102-E133 PolarHBondContact OG-N 2.88Å; H103-E133 VanDerWaalsContact CE1-CA 3.43Å; H103-E133 WeakPolarHBondContact CE1-CA 3.4Å; H103-E133 PolarHBondContact CE1-O 3.39Å |
| 134 | Y | 72.9 | Confident | 88 | Confident | 200 Ų | 200 | 78.8 Ų | 78.8 | 78% | 0.784 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | 10.6 | -177.6 | -52.6 | -78.7 | 0 | 0 | 0 | 114.3 | R132 R136 | R132-Y134 PolarHBondContact O-N 3.46Å; Y134-R136 PolarHBondContact O-N 2.03Å |
| 135 | E | 75.7 | Confident | 87.9 | Confident | 59 Ų | 59 | 78.5 Ų | 78.5 | 28% | 0.276 | 36% | 0.355 | S | S | . | . | trans | -71.3 | 121.9 | 178.9 | -95.5 | 173.4 | -155.3 | 0 | 0 | 111.7 | H130 P131 R132 G137 Y138 | H130-E135 VanDerWaalsContact CA-OE2 3.29Å; H130-E135 WeakPolarHBondContact CA-OE2 3.04Å; H130-E135 HydrophobicContact CB-CB 4.21Å; P131-E135 WeakPolarHBondContact CD-OE2 3.49Å; R132-E135 HydrophobicContact CB-CB 4.26Å; R132-E135 HydrophobicContact CB-CG 3.82Å; R132-E135 WeakPolarHBondContact CD-OE1 3.29Å; R132-E135 HydrophobicContact CG-CG 4.32Å; R132-E135 VanDerWaalsContact CG-OE1 3.23Å; R132-E135 WeakPolarHBondContact CG-OE1 3.43Å; R132-E135 IonicContact NE-OE1 3.55Å; R132-E135 WeakPolarHBondContact O-CB 3.39Å; R132-E135 PolarHBondContact O-N 3.01Å; E135-G137 PolarHBondContact O-N 3.3Å; E135-Y138 PolarHBondContact O-N 3.41Å | ||
| 136 | R | 79.1 | Confident | 87.6 | Confident | 252 Ų | 252 | 82.6 Ų | 82.6 | 95% | 0.951 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | 102.7 | -180 | -156.7 | -169.2 | -55 | -173.1 | 3.2 | 108.8 | Y134 | Y134-R136 PolarHBondContact O-N 2.03Š|
| 137 | G | 87.4 | Confident | 87.2 | Confident | 23 Ų | 23 | 84.9 Ų | 84.9 | 24% | 0.237 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 154 | -33.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | H130 E135 D139 K140 C141 | H130-G137 VanDerWaalsContact CD2-C 3.49Å; E135-G137 PolarHBondContact O-N 3.3Å; G137-D139 PolarHBondContact O-N 2.78Å; G137-K140 PolarHBondContact O-N 3.14Å; G137-K140 VanDerWaalsContact O-N 3.15Å; G137-C141 WeakPolarHBondContact O-CB 3.47Å; G137-C141 PolarHBondContact O-N 3.49Å |
| 138 | Y | 90.4 | Very high | 86.6 | Confident | 5 Ų | 5 | 86 Ų | 86 | 2% | 0.02 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -55.8 | -50.4 | -177.6 | -178.8 | -106.9 | 0 | 0 | 0 | 112.6 | H103 E105 L106 C126 D127 H130 E135 K140 C141 K142 | H103-Y138 HydrophobicContact CB-CD1 4.44Å; H103-Y138 HydrophobicContact CB-CE1 3.78Å; H103-Y138 HydrophobicContact CB-CE2 4.17Å; H103-Y138 AromaticContact CD2-CD2 3.71Å; H103-Y138 AromaticContact CD2-CE2 3.79Å; H103-Y138 AromaticContact CD2-CG 3.97Å; H103-Y138 AromaticContact CE1-CD1 3.59Å; H103-Y138 AromaticContact CE1-CG 3.47Å; H103-Y138 VanDerWaalsContact CE1-CG 3.47Å; H103-Y138 AromaticContact CG-CD1 3.81Å; H103-Y138 AromaticContact CG-CE1 3.65Å; H103-Y138 AromaticContact CG-CE2 3.89Å; H103-Y138 AromaticContact CG-CG 4Å; H103-Y138 AromaticContact CG-CZ 3.69Å; H103-Y138 AromaticContact ND1-CD1 3.4Å; H103-Y138 WeakPolarHBondContact ND1-CD1 3.49Å; H103-Y138 AromaticContact ND1-CE1 3.62Å; H103-Y138 AromaticContact ND1-CG 3.73Å; H103-Y138 AromaticContact NE2-CD2 3.71Å; H103-Y138 AromaticContact NE2-CG 3.65Å; E105-Y138 VanDerWaalsContact OE1-CE1 3.29Å; E105-Y138 WeakPolarHBondContact OE1-CE1 3.04Å; L106-Y138 WeakPolarHBondContact CB-OH 3.38Å; L106-Y138 HydrophobicContact CD1-CE2 4.46Å; L106-Y138 WeakPolarHBondContact CD1-OH 3.49Å; C126-Y138 HydrophobicContact CB-CD2 4.02Å; C126-Y138 HydrophobicContact CB-CE2 3.94Å; D127-Y138 HydrophobicContact CB-CE2 4.25Å; H130-Y138 HydrophobicContact CB-CD2 4.45Å; H130-Y138 PolarHBondContact CD2-N 2.92Å; E135-Y138 PolarHBondContact O-N 3.41Å; Y138-K140 VanDerWaalsContact C-N 3.33Å; Y138-K140 PolarHBondContact O-N 3.44Å; Y138-C141 WeakPolarHBondContact O-CA 3.02Å; Y138-C141 WeakPolarHBondContact O-CB 3.16Å; Y138-C141 PolarHBondContact O-N 3.27Å; Y138-K142 HydrophobicContact CE1-CD 4.18Å; Y138-K142 WeakPolarHBondContact O-CB 3.29Å; Y138-K142 PolarHBondContact O-N 3.36Å |
| 139 | D | 90.6 | Very high | 86 | Confident | 100 Ų | 100 | 89.3 Ų | 89.3 | 54% | 0.535 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -57.7 | -43.5 | 178 | -74.9 | -35.2 | 0 | 0 | 0 | 113.1 | G137 C141 K142 E143 | G137-D139 PolarHBondContact O-N 2.78Å; D139-C141 VanDerWaalsContact C-N 3.3Å; D139-C141 PolarHBondContact O-N 3.4Å; D139-K142 PolarHBondContact O-N 2.87Å; D139-K142 WeakPolarHBondContact OD1-CE 3.29Å; D139-K142 IonicContact OD1-NZ 3.15Å; D139-K142 PolarHBondContact OD1-NZ 3.08Å; D139-E143 WeakPolarHBondContact O-CG 3.42Å; D139-E143 PolarHBondContact O-N 3.24Å |
| 140 | K | 91.7 | Very high | 85 | Confident | 144 Ų | 144 | 88.2 Ų | 88.2 | 63% | 0.626 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -67.8 | -33.1 | 177.8 | -173.4 | 178.2 | -178 | 179.8 | 0 | 111.8 | G137 Y138 K144 | G137-K140 PolarHBondContact O-N 3.14Å; G137-K140 VanDerWaalsContact O-N 3.15Å; Y138-K140 VanDerWaalsContact C-N 3.33Å; Y138-K140 PolarHBondContact O-N 3.44Å; K140-K144 WeakPolarHBondContact O-CG 3.37Å; K140-K144 PolarHBondContact O-N 3.18Å |
| 141 | C | 91.9 | Very high | 83.5 | Confident | 20 Ų | 20 | 95.8 Ų | 95.8 | 14% | 0.135 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -68.8 | -48.8 | 175.3 | -168 | 0 | 0 | 0 | 0 | 110.3 | C126 G137 Y138 D139 E143 K144 C145 | C126-C141 WeakPolarHBondContact CA-SG 3.38Å; C126-C141 HydrophobicContact CB-CB 3.63Å; C126-C141 WeakPolarHBondContact CB-SG 3.39Å; C126-C141 WeakPolarHBondContact SG-CB 3.34Å; C126-C141 CovalentContact SG-SG 2.02Å; C126-C141 PolarHBondContact SG-SG 2.97Å; G137-C141 WeakPolarHBondContact O-CB 3.47Å; G137-C141 PolarHBondContact O-N 3.49Å; Y138-C141 WeakPolarHBondContact O-CA 3.02Å; Y138-C141 WeakPolarHBondContact O-CB 3.16Å; Y138-C141 PolarHBondContact O-N 3.27Å; D139-C141 VanDerWaalsContact C-N 3.3Å; D139-C141 PolarHBondContact O-N 3.4Å; C141-E143 PolarHBondContact O-N 3.37Å; C141-K144 WeakPolarHBondContact O-CB 3.47Å; C141-K144 PolarHBondContact O-N 2.61Å; C141-C145 PolarHBondContact O-N 3.1Å; C141-C145 PolarHBondContact O-SG 2.87Å |
| 142 | K | 90.5 | Very high | 83.4 | Confident | 36 Ų | 36 | 96.8 Ų | 96.8 | 16% | 0.157 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -53.7 | -47.6 | 173.9 | 179.1 | 174.5 | 66.6 | -158.9 | 0 | 112.2 | L123 Y138 D139 K144 C145 Y146 | L123-K142 HydrophobicContact CD2-CB 4.23Å; L123-K142 HydrophobicContact CD2-CG 3.91Å; Y138-K142 HydrophobicContact CE1-CD 4.18Å; Y138-K142 WeakPolarHBondContact O-CB 3.29Å; Y138-K142 PolarHBondContact O-N 3.36Å; D139-K142 PolarHBondContact O-N 2.87Å; D139-K142 WeakPolarHBondContact OD1-CE 3.29Å; D139-K142 IonicContact OD1-NZ 3.15Å; D139-K142 PolarHBondContact OD1-NZ 3.08Å; K142-K144 PolarHBondContact O-N 3.06Å; K142-C145 WeakPolarHBondContact O-CB 3.16Å; K142-C145 PolarHBondContact O-N 3.19Å; K142-Y146 HydrophobicContact CD-CE2 4.17Å; K142-Y146 HydrophobicContact CG-CD2 3.82Å; K142-Y146 HydrophobicContact CG-CE2 3.6Å; K142-Y146 VanDerWaalsContact O-CD2 3.31Å; K142-Y146 WeakPolarHBondContact O-CD2 3.23Å; K142-Y146 PolarHBondContact O-N 3.19Å |
| 143 | E | 90.6 | Very high | 83.3 | Confident | 134 Ų | 134 | 92.5 Ų | 92.5 | 63% | 0.626 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -54.1 | -38.5 | 175.2 | -78.8 | 176.3 | 179.8 | 0 | 0 | 113 | D139 C141 A147 | D139-E143 WeakPolarHBondContact O-CG 3.42Å; D139-E143 PolarHBondContact O-N 3.24Å; C141-E143 PolarHBondContact O-N 3.37Å; E143-A147 WeakPolarHBondContact O-CB 3.44Å; E143-A147 PolarHBondContact O-N 3.3Å |
| 144 | K | 90.8 | Very high | 83.9 | Confident | 131 Ų | 131 | 91.9 Ų | 91.9 | 57% | 0.57 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -67 | -41.6 | 175.8 | -66.6 | 173.7 | -180 | 178.6 | 0 | 111.7 | K140 C141 K142 Y146 A147 M148 | K140-K144 WeakPolarHBondContact O-CG 3.37Å; K140-K144 PolarHBondContact O-N 3.18Å; C141-K144 WeakPolarHBondContact O-CB 3.47Å; C141-K144 PolarHBondContact O-N 2.61Å; K142-K144 PolarHBondContact O-N 3.06Å; K144-Y146 VanDerWaalsContact C-N 3.34Å; K144-Y146 PolarHBondContact O-N 2.55Å; K144-A147 PolarHBondContact O-N 2.91Å; K144-M148 WeakPolarHBondContact O-CG 3.47Å; K144-M148 PolarHBondContact O-N 3.06Å |
| 145 | C | 90.8 | Very high | 84.6 | Confident | 0 Ų | 0 | 85.5 Ų | 85.5 | 0% | 0 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -60.8 | -44.4 | 177.8 | -56.5 | 0 | 0 | 0 | 0 | 111.4 | F119 C122 L123 C126 C141 K142 A147 M148 E149 | F119-C145 HydrophobicContact CD2-CB 4.07Å; F119-C145 HydrophobicContact CE2-CB 4.13Å; C122-C145 HydrophobicContact CB-CB 3.73Å; C122-C145 WeakPolarHBondContact CB-SG 3.46Å; C122-C145 WeakPolarHBondContact SG-CA 3.43Å; C122-C145 WeakPolarHBondContact SG-CB 3.38Å; C122-C145 CovalentContact SG-SG 2.04Å; C122-C145 PolarHBondContact SG-SG 3.43Å; L123-C145 HydrophobicContact CD2-CB 3.81Å; L123-C145 HydrophobicContact CG-CB 4.19Å; C126-C145 PolarHBondContact SG-SG 2.83Å; C141-C145 PolarHBondContact O-N 3.1Å; C141-C145 PolarHBondContact O-SG 2.87Å; K142-C145 WeakPolarHBondContact O-CB 3.16Å; K142-C145 PolarHBondContact O-N 3.19Å; C145-A147 VanDerWaalsContact C-N 3.33Å; C145-A147 PolarHBondContact O-N 3.11Å; C145-M148 WeakPolarHBondContact O-CB 3.21Å; C145-M148 PolarHBondContact O-N 3.5Å; C145-M148 VanDerWaalsContact O-N 3.13Å; C145-E149 PolarHBondContact O-N 3.18Å |
| 146 | Y | 89.2 | Confident | 85.1 | Confident | 97 Ų | 97 | 87.2 Ų | 87.2 | 38% | 0.38 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.8 | -39 | 174.3 | -82.1 | -75.2 | 0 | 0 | 0 | 112.8 | D109 F119 K142 K144 M148 E149 G150 | D109-Y146 PolarHBondContact OD1-OH 3.06Å; D109-Y146 PolarHBondContact OD2-OH 3.5Å; F119-Y146 AromaticContact CE2-CD1 3.9Å; F119-Y146 HydrophobicContact CE2-CD1 3.9Å; F119-Y146 HydrophobicContact CE2-CD2 4.26Å; F119-Y146 HydrophobicContact CE2-CE1 4.01Å; F119-Y146 HydrophobicContact CE2-CE2 4.33Å; F119-Y146 HydrophobicContact CE2-CG 4.05Å; F119-Y146 HydrophobicContact CZ-CD1 4.1Å; F119-Y146 AromaticContact CZ-CE1 3.71Å; F119-Y146 HydrophobicContact CZ-CE1 3.71Å; F119-Y146 HydrophobicContact CZ-CE2 4.23Å; F119-Y146 AromaticContact CZ-CZ 3.79Å; K142-Y146 HydrophobicContact CD-CE2 4.17Å; K142-Y146 HydrophobicContact CG-CD2 3.82Å; K142-Y146 HydrophobicContact CG-CE2 3.6Å; K142-Y146 VanDerWaalsContact O-CD2 3.31Å; K142-Y146 WeakPolarHBondContact O-CD2 3.23Å; K142-Y146 PolarHBondContact O-N 3.19Å; K144-Y146 VanDerWaalsContact C-N 3.34Å; K144-Y146 PolarHBondContact O-N 2.55Å; Y146-M148 PolarHBondContact O-N 2.89Å; Y146-E149 PolarHBondContact O-N 3.35Å; Y146-G150 PolarHBondContact O-N 3.41Å; Y146-G150 VanDerWaalsContact O-N 3.16Å |
| 147 | A | 86.3 | Confident | 85.5 | Confident | 50 Ų | 50 | 76.2 Ų | 76.2 | 41% | 0.413 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -67.9 | -22.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | E143 K144 C145 R151 | E143-A147 WeakPolarHBondContact O-CB 3.44Å; E143-A147 PolarHBondContact O-N 3.3Å; K144-A147 PolarHBondContact O-N 2.91Å; C145-A147 VanDerWaalsContact C-N 3.33Å; C145-A147 PolarHBondContact O-N 3.11Å; A147-R151 WeakPolarHBondContact O-CD 3.49Å; A147-R151 WeakPolarHBondContact O-CG 3.34Å; A147-R151 PolarHBondContact O-NE 3.13Å |
| 148 | M | 81.4 | Confident | 85.4 | Confident | 25 Ų | 25 | 80 Ų | 80 | 12% | 0.123 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -77.7 | -41.3 | 171.5 | -70.3 | 171.1 | 50.2 | 0 | 0 | 111.7 | E23 K144 C145 Y146 G150 R151 | E23-M148 HydrophobicContact CB-CE 3.66Å; E23-M148 HydrophobicContact CB-SD 4.42Å; E23-M148 HydrophobicContact CG-CE 4.48Å; K144-M148 WeakPolarHBondContact O-CG 3.47Å; K144-M148 PolarHBondContact O-N 3.06Å; C145-M148 WeakPolarHBondContact O-CB 3.21Å; C145-M148 PolarHBondContact O-N 3.5Å; C145-M148 VanDerWaalsContact O-N 3.13Å; Y146-M148 PolarHBondContact O-N 2.89Å; M148-G150 VanDerWaalsContact C-N 3.34Å; M148-G150 PolarHBondContact O-N 3.06Å; M148-R151 PolarHBondContact O-N 2.79Å |
| 149 | E | 79.3 | Confident | 85 | Confident | 108 Ų | 108 | 85.8 Ų | 85.8 | 51% | 0.505 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.5 | -34.1 | -179.5 | -172.9 | 177.3 | -146.5 | 0 | 0 | 112.8 | F119 C145 Y146 R151 | F119-E149 HydrophobicContact CB-CB 4.28Å; F119-E149 HydrophobicContact CB-CG 4.37Å; F119-E149 HydrophobicContact CD2-CB 3.86Å; F119-E149 HydrophobicContact CD2-CG 4.39Å; F119-E149 HydrophobicContact CE2-CB 4.49Å; F119-E149 HydrophobicContact CG-CB 4.21Å; F119-E149 HydrophobicContact CG-CG 4.32Å; C145-E149 PolarHBondContact O-N 3.18Å; Y146-E149 PolarHBondContact O-N 3.35Å; E149-R151 VanDerWaalsContact C-N 3.27Å; E149-R151 PolarHBondContact O-N 3.1Å |
| 150 | G | 70.4 | Confident | 84.5 | Confident | 74 Ų | 74 | 84.6 Ų | 84.6 | 76% | 0.763 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | 6.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y146 M148 | Y146-G150 PolarHBondContact O-N 3.41Å; Y146-G150 VanDerWaalsContact O-N 3.16Å; M148-G150 VanDerWaalsContact C-N 3.34Å; M148-G150 PolarHBondContact O-N 3.06Å |
| 151 | R | 61.5 | Low | 83.9 | Confident | 196 Ų | 196 | 79.2 Ų | 79.2 | 74% | 0.74 | 40% | 0.401 | S | S | * | . | trans | -102.7 | 0 | 179.9 | -68.9 | 174.1 | -169.5 | -167.3 | 2.8 | 111.2 | A147 M148 E149 | A147-R151 WeakPolarHBondContact O-CD 3.49Å; A147-R151 WeakPolarHBondContact O-CG 3.34Å; A147-R151 PolarHBondContact O-NE 3.13Å; M148-R151 PolarHBondContact O-N 2.79Å; E149-R151 VanDerWaalsContact C-N 3.27Å; E149-R151 PolarHBondContact O-N 3.1Å |
Retrieved 151 of 151 residues in 33.9 ms
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