| 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 | 40 | Very low | 55.7 | Low | 240 Ų | 240 | 143.9 Ų | 143.9 | 100% | 1.182 | 79% | 0.792 | S | S | * | * | 0 | 143.4 | 0 | -77.8 | -164 | 166.7 | 0 | 0 | 108 | |||||
| 2 | S | 45.5 | Very low | 58.2 | Low | 112 Ų | 112 | 146.5 Ų | 146.5 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | trans | 67.3 | 94.6 | -179.3 | 66.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 3 | D | 47.2 | Very low | 60.3 | Low | 165 Ų | 165 | 143.4 Ų | 143.4 | 88% | 0.882 | 77% | 0.772 | S | S | * | * | trans | 62.2 | 77.7 | 133.1 | -61 | -3.4 | 0 | 0 | 0 | 120.2 | ||||
| 4 | S | 41.2 | Very low | 62.2 | Low | 115 Ų | 115 | 141.4 Ų | 141.4 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | trans | -87.5 | 142.3 | 145.4 | -61.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 5 | S | 46.5 | Very low | 63.9 | Low | 117 Ų | 117 | 137.9 Ų | 137.9 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | trans | 89.3 | 44.5 | 156.9 | 75.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 6 | N | 51.8 | Low | 65.7 | Low | 145 Ų | 145 | 132 Ų | 132 | 78% | 0.775 | 71% | 0.709 | S | S | * | * | trans | -100 | 62.2 | 153.4 | -107.8 | -31.2 | 0 | 0 | 0 | 110.9 | K8 | N6-K8 PolarHBondContact O-N 2.97Š| ||
| 7 | N | 53.7 | Low | 67.3 | Low | 160 Ų | 160 | 129.1 Ų | 129.1 | 86% | 0.856 | 70% | 0.697 | S | S | * | * | trans | -69.4 | 75.9 | 160.1 | -113.9 | -22.1 | 0 | 0 | 0 | 106.8 | I9 | N7-I9 PolarHBondContact O-N 2.64Š| ||
| 8 | K | 64.3 | Low | 68.7 | Low | 171 Ų | 171 | 126.4 Ų | 126.4 | 74% | 0.743 | 68% | 0.681 | S | S | * | * | trans | -57.6 | 104.6 | 175.4 | -78.2 | 179.3 | 178.5 | 177.1 | 0 | 106.7 | N6 L10 | N6-K8 PolarHBondContact O-N 2.97Å; K8-L10 PolarHBondContact O-N 3.36Å | ||
| 9 | I | 70.9 | Confident | 70 | Confident | 164 Ų | 164 | 125.5 Ų | 125.5 | 84% | 0.841 | 67% | 0.674 | S | S | * | * | trans | -46.9 | 116.9 | 174.2 | -65.8 | 164.9 | 0 | 0 | 0 | 106.9 | N7 N11 | N7-I9 PolarHBondContact O-N 2.64Å; I9-N11 PolarHBondContact O-N 3.29Å | ||
| 10 | L | 70.3 | Confident | 71.3 | Confident | 96 Ų | 96 | 123.6 Ų | 123.6 | 50% | 0.503 | 66% | 0.663 | S | S | . | * | trans | -65.6 | 104.1 | -173.3 | -152.9 | 85.2 | 0 | 0 | 0 | 108.4 | K8 Y12 Q15 | K8-L10 PolarHBondContact O-N 3.36Å; L10-Y12 HydrophobicContact CD2-CD1 4.45Å; L10-Y12 HydrophobicContact CD2-CE1 3.95Å; L10-Y12 PolarHBondContact O-N 3.36Å; L10-Y12 VanDerWaalsContact O-N 3.11Å; L10-Q15 VanDerWaalsContact CG-NE2 3.3Å | ||
| 11 | N | 81.8 | Confident | 72.5 | Confident | 98 Ų | 98 | 122.3 Ų | 122.3 | 52% | 0.524 | 65% | 0.653 | S | S | . | * | trans | -80.9 | 95.4 | 178.8 | -172.2 | -28.1 | 0 | 0 | 0 | 109.2 | I9 V13 H14 Q15 | I9-N11 PolarHBondContact O-N 3.29Å; N11-V13 PolarHBondContact O-N 3.08Å; N11-V13 VanDerWaalsContact OD1-CB 3.32Å; N11-V13 WeakPolarHBondContact OD1-CB 3.1Å; N11-V13 PolarHBondContact OD1-N 3.1Å; N11-H14 HydrophobicContact CB-CB 4.02Å; N11-H14 WeakPolarHBondContact O-CB 3.3Å; N11-H14 PolarHBondContact O-N 3.02Å; N11-H14 PolarHBondContact OD1-N 3.16Å; N11-Q15 PolarHBondContact O-N 3.46Å; N11-Q15 VanDerWaalsContact O-N 3.16Å | ||
| 12 | Y | 86 | Confident | 75.1 | Confident | 175 Ų | 175 | 113.7 Ų | 113.7 | 69% | 0.686 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -54.7 | -33.7 | 178.7 | -64.8 | -75.1 | 0 | 0 | 0 | 113.1 | L10 Q15 A16 | L10-Y12 HydrophobicContact CD2-CD1 4.45Å; L10-Y12 HydrophobicContact CD2-CE1 3.95Å; L10-Y12 PolarHBondContact O-N 3.36Å; L10-Y12 VanDerWaalsContact O-N 3.11Å; Y12-Q15 PolarHBondContact O-N 3.2Å; Y12-A16 WeakPolarHBondContact O-CB 3.4Å; Y12-A16 PolarHBondContact O-N 3.03Å |
| 13 | V | 85.4 | Confident | 77.5 | Confident | 106 Ų | 106 | 111.9 Ų | 111.9 | 64% | 0.642 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66.2 | -42.7 | 177.7 | -175 | 0 | 0 | 0 | 0 | 110.3 | N11 A16 V17 | N11-V13 PolarHBondContact O-N 3.08Å; N11-V13 VanDerWaalsContact OD1-CB 3.32Å; N11-V13 WeakPolarHBondContact OD1-CB 3.1Å; N11-V13 PolarHBondContact OD1-N 3.1Å; V13-A16 PolarHBondContact O-N 2.95Å; V13-V17 WeakPolarHBondContact O-CG2 3.43Å; V13-V17 PolarHBondContact O-N 3.26Å |
| 14 | H | 86.6 | Confident | 79.8 | Confident | 115 Ų | 115 | 111.3 Ų | 111.3 | 53% | 0.532 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.6 | -41.2 | 178 | -174.3 | 60.2 | 0 | 0 | 0 | 112.2 | N11 V17 I18 | N11-H14 HydrophobicContact CB-CB 4.02Å; N11-H14 WeakPolarHBondContact O-CB 3.3Å; N11-H14 PolarHBondContact O-N 3.02Å; N11-H14 PolarHBondContact OD1-N 3.16Å; H14-V17 PolarHBondContact O-N 3.03Å; H14-I18 WeakPolarHBondContact O-CG1 3.42Å; H14-I18 PolarHBondContact O-N 3.33Å; H14-I18 VanDerWaalsContact O-N 3.08Å |
| 15 | Q | 87.7 | Confident | 82.3 | Confident | 90 Ų | 90 | 111.2 Ų | 111.2 | 42% | 0.421 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.6 | -42.7 | 175.3 | -69.1 | -175.9 | -16 | 0 | 0 | 112.1 | L10 N11 Y12 V17 I18 M19 | L10-Q15 VanDerWaalsContact CG-NE2 3.3Å; N11-Q15 PolarHBondContact O-N 3.46Å; N11-Q15 VanDerWaalsContact O-N 3.16Å; Y12-Q15 PolarHBondContact O-N 3.2Å; Q15-V17 VanDerWaalsContact C-N 3.3Å; Q15-V17 PolarHBondContact O-N 3.42Å; Q15-I18 PolarHBondContact O-N 3.11Å; Q15-M19 WeakPolarHBondContact O-CB 3.45Å; Q15-M19 PolarHBondContact O-N 3.05Å |
| 16 | A | 92.3 | Very high | 84.5 | Confident | 43 Ų | 43 | 112 Ų | 112 | 36% | 0.355 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.6 | -37.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y12 V13 M19 N20 | Y12-A16 WeakPolarHBondContact O-CB 3.4Å; Y12-A16 PolarHBondContact O-N 3.03Å; V13-A16 PolarHBondContact O-N 2.95Å; A16-M19 PolarHBondContact O-N 2.75Å; A16-N20 WeakPolarHBondContact O-CB 3.33Å; A16-N20 PolarHBondContact O-N 3.49Å; A16-N20 PolarHBondContact O-ND2 2.97Å; A16-N20 VanDerWaalsContact O-ND2 3.11Å |
| 17 | V | 93 | Very high | 86.4 | Confident | 83 Ų | 83 | 110.1 Ų | 110.1 | 50% | 0.503 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -63.5 | -45.9 | 175.4 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | V13 H14 Q15 N20 E21 | V13-V17 WeakPolarHBondContact O-CG2 3.43Å; V13-V17 PolarHBondContact O-N 3.26Å; H14-V17 PolarHBondContact O-N 3.03Å; Q15-V17 VanDerWaalsContact C-N 3.3Å; Q15-V17 PolarHBondContact O-N 3.42Å; V17-N20 PolarHBondContact O-N 3.19Å; V17-E21 PolarHBondContact O-N 3.47Å |
| 18 | I | 91.8 | Very high | 88.2 | Confident | 80 Ų | 80 | 110.7 Ų | 110.7 | 41% | 0.41 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.5 | -47.8 | 176.8 | -66.8 | 167.5 | 0 | 0 | 0 | 110.4 | H14 Q15 N20 E21 T22 | H14-I18 WeakPolarHBondContact O-CG1 3.42Å; H14-I18 PolarHBondContact O-N 3.33Å; H14-I18 VanDerWaalsContact O-N 3.08Å; Q15-I18 PolarHBondContact O-N 3.11Å; I18-N20 VanDerWaalsContact C-N 3.32Å; I18-N20 PolarHBondContact O-N 3.5Å; I18-E21 WeakPolarHBondContact O-CB 3.32Å; I18-E21 PolarHBondContact O-N 3.13Å; I18-E21 VanDerWaalsContact O-N 3.1Å; I18-T22 HydrophobicContact CG2-CG2 4.45Å; I18-T22 WeakPolarHBondContact O-CG2 3.39Å; I18-T22 PolarHBondContact O-N 3.39Å; I18-T22 PolarHBondContact O-OG1 3.35Å |
| 19 | M | 94.6 | Very high | 89.3 | Confident | 110 Ų | 110 | 109.3 Ų | 109.3 | 54% | 0.542 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.6 | -40.6 | -179.9 | -170.9 | 176.9 | 78.7 | 0 | 0 | 112.1 | Q15 A16 E21 T22 I23 | Q15-M19 WeakPolarHBondContact O-CB 3.45Å; Q15-M19 PolarHBondContact O-N 3.05Å; A16-M19 PolarHBondContact O-N 2.75Å; M19-E21 VanDerWaalsContact C-N 3.31Å; M19-E21 PolarHBondContact O-N 3.09Å; M19-T22 WeakPolarHBondContact CA-OG1 3.46Å; M19-T22 PolarHBondContact O-N 2.93Å; M19-T22 PolarHBondContact O-OG1 2.91Å; M19-I23 HydrophobicContact CG-CD1 3.99Å; M19-I23 WeakPolarHBondContact O-CB 3.37Å; M19-I23 WeakPolarHBondContact O-CD1 3.46Å; M19-I23 VanDerWaalsContact O-CG1 3.24Å; M19-I23 WeakPolarHBondContact O-CG1 3.29Å; M19-I23 PolarHBondContact O-N 3.43Å |
| 20 | N | 95.5 | Very high | 90 | Very high | 87 Ų | 87 | 107.2 Ų | 107.2 | 47% | 0.465 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65 | -36.6 | 175.4 | -74.4 | -29.7 | 0 | 0 | 0 | 112 | A16 V17 I18 K24 | A16-N20 WeakPolarHBondContact O-CB 3.33Å; A16-N20 PolarHBondContact O-N 3.49Å; A16-N20 PolarHBondContact O-ND2 2.97Å; A16-N20 VanDerWaalsContact O-ND2 3.11Å; V17-N20 PolarHBondContact O-N 3.19Å; I18-N20 VanDerWaalsContact C-N 3.32Å; I18-N20 PolarHBondContact O-N 3.5Å; N20-K24 WeakPolarHBondContact O-CB 3.24Å; N20-K24 VanDerWaalsContact O-CG 3.29Å; N20-K24 WeakPolarHBondContact O-CG 3.48Å; N20-K24 PolarHBondContact O-N 3Å |
| 21 | E | 95.8 | Very high | 90.7 | Very high | 97 Ų | 97 | 110.7 Ų | 110.7 | 45% | 0.453 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.3 | -42.9 | 175.7 | -167.2 | -170.2 | 161.2 | 0 | 0 | 111.8 | V17 I18 M19 K24 K25 | V17-E21 PolarHBondContact O-N 3.47Å; I18-E21 WeakPolarHBondContact O-CB 3.32Å; I18-E21 PolarHBondContact O-N 3.13Å; I18-E21 VanDerWaalsContact O-N 3.1Å; M19-E21 VanDerWaalsContact C-N 3.31Å; M19-E21 PolarHBondContact O-N 3.09Å; E21-K24 PolarHBondContact O-N 3.36Å; E21-K25 WeakPolarHBondContact O-CG 3.49Å; E21-K25 PolarHBondContact O-N 3.28Å; E21-K25 WeakPolarHBondContact OE1-CE 3.48Å; E21-K25 IonicContact OE1-NZ 2.64Å; E21-K25 PolarHBondContact OE1-NZ 3.4Å |
| 22 | T | 95.5 | Very high | 90.8 | Very high | 59 Ų | 59 | 112.1 Ų | 112.1 | 36% | 0.362 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64 | -46.7 | 177.7 | 55 | 0 | 0 | 0 | 0 | 111.2 | I18 M19 K24 K25 E26 | I18-T22 HydrophobicContact CG2-CG2 4.45Å; I18-T22 WeakPolarHBondContact O-CG2 3.39Å; I18-T22 PolarHBondContact O-N 3.39Å; I18-T22 PolarHBondContact O-OG1 3.35Å; M19-T22 WeakPolarHBondContact CA-OG1 3.46Å; M19-T22 PolarHBondContact O-N 2.93Å; M19-T22 PolarHBondContact O-OG1 2.91Å; T22-K24 VanDerWaalsContact C-N 3.32Å; T22-K24 PolarHBondContact O-N 3.37Å; T22-K25 PolarHBondContact O-N 2.9Å; T22-K25 VanDerWaalsContact O-N 3.11Å; T22-E26 WeakPolarHBondContact O-CG 3.3Å; T22-E26 PolarHBondContact O-N 2.95Å |
| 23 | I | 94.8 | Very high | 90.6 | Very high | 73 Ų | 73 | 111.5 Ų | 111.5 | 37% | 0.374 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -58.3 | -44.4 | 176 | -68.2 | 166.5 | 0 | 0 | 0 | 110.6 | M19 K25 E26 L27 | M19-I23 HydrophobicContact CG-CD1 3.99Å; M19-I23 WeakPolarHBondContact O-CB 3.37Å; M19-I23 WeakPolarHBondContact O-CD1 3.46Å; M19-I23 VanDerWaalsContact O-CG1 3.24Å; M19-I23 WeakPolarHBondContact O-CG1 3.29Å; M19-I23 PolarHBondContact O-N 3.43Å; I23-K25 VanDerWaalsContact C-N 3.34Å; I23-K25 PolarHBondContact O-N 3Å; I23-E26 PolarHBondContact O-N 3.46Å; I23-L27 HydrophobicContact CG2-CD1 3.76Å; I23-L27 HydrophobicContact CG2-CG 4.24Å; I23-L27 WeakPolarHBondContact O-CB 3.42Å; I23-L27 VanDerWaalsContact O-CG 3.3Å; I23-L27 WeakPolarHBondContact O-CG 3.49Å; I23-L27 PolarHBondContact O-N 3.11Å |
| 24 | K | 95.7 | Very high | 90.5 | Very high | 154 Ų | 154 | 112 Ų | 112 | 67% | 0.67 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.1 | -39.7 | 176.6 | -79.4 | 177.8 | -179.6 | -179.7 | 0 | 112.6 | N20 E21 T22 K28 | N20-K24 WeakPolarHBondContact O-CB 3.24Å; N20-K24 VanDerWaalsContact O-CG 3.29Å; N20-K24 WeakPolarHBondContact O-CG 3.48Å; N20-K24 PolarHBondContact O-N 3Å; E21-K24 PolarHBondContact O-N 3.36Å; T22-K24 VanDerWaalsContact C-N 3.32Å; T22-K24 PolarHBondContact O-N 3.37Å; K24-K28 VanDerWaalsContact O-CB 3.3Å; K24-K28 WeakPolarHBondContact O-CB 3.47Å; K24-K28 PolarHBondContact O-N 3.07Å |
| 25 | K | 95 | Very high | 90.3 | Very high | 112 Ų | 112 | 115 Ų | 115 | 49% | 0.487 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67 | -42 | 177.2 | -75.7 | 175.1 | -177.5 | 169.5 | 0 | 111.5 | E21 T22 I23 K28 H29 | E21-K25 WeakPolarHBondContact O-CG 3.49Å; E21-K25 PolarHBondContact O-N 3.28Å; E21-K25 WeakPolarHBondContact OE1-CE 3.48Å; E21-K25 IonicContact OE1-NZ 2.64Å; E21-K25 PolarHBondContact OE1-NZ 3.4Å; T22-K25 PolarHBondContact O-N 2.9Å; T22-K25 VanDerWaalsContact O-N 3.11Å; I23-K25 VanDerWaalsContact C-N 3.34Å; I23-K25 PolarHBondContact O-N 3Å; K25-K28 PolarHBondContact O-N 2.84Å; K25-H29 PolarHBondContact O-N 3.44Å; K25-H29 PolarHBondContact O-ND1 3.44Å |
| 26 | E | 92.8 | Very high | 89.9 | Confident | 133 Ų | 133 | 120.6 Ų | 120.6 | 62% | 0.621 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.3 | -51.5 | 176 | -72.7 | 174.3 | -172.7 | 0 | 0 | 111 | T22 I23 K28 H29 Q30 | T22-E26 WeakPolarHBondContact O-CG 3.3Å; T22-E26 PolarHBondContact O-N 2.95Å; I23-E26 PolarHBondContact O-N 3.46Å; E26-K28 VanDerWaalsContact C-N 3.28Å; E26-K28 PolarHBondContact O-N 2.95Å; E26-H29 PolarHBondContact O-N 2.82Å; E26-H29 VanDerWaalsContact O-N 3.09Å; E26-Q30 PolarHBondContact O-N 2.87Å |
| 27 | L | 91.7 | Very high | 89.2 | Confident | 107 Ų | 107 | 123.6 Ų | 123.6 | 56% | 0.56 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -60.3 | -34.8 | 178.7 | -71.4 | 175.3 | 0 | 0 | 0 | 112.9 | I23 H29 Q30 | I23-L27 HydrophobicContact CG2-CD1 3.76Å; I23-L27 HydrophobicContact CG2-CG 4.24Å; I23-L27 WeakPolarHBondContact O-CB 3.42Å; I23-L27 VanDerWaalsContact O-CG 3.3Å; I23-L27 WeakPolarHBondContact O-CG 3.49Å; I23-L27 PolarHBondContact O-N 3.11Å; L27-H29 VanDerWaalsContact C-N 3.27Å; L27-H29 PolarHBondContact O-N 3.01Å; L27-Q30 PolarHBondContact O-N 3.11Å |
| 28 | K | 91.5 | Very high | 88.4 | Confident | 172 Ų | 172 | 126.4 Ų | 126.4 | 75% | 0.748 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62.3 | -32.8 | 177 | -178 | 177.3 | 178.4 | -177.4 | 0 | 112.9 | K24 K25 E26 | K24-K28 VanDerWaalsContact O-CB 3.3Å; K24-K28 WeakPolarHBondContact O-CB 3.47Å; K24-K28 PolarHBondContact O-N 3.07Å; K25-K28 PolarHBondContact O-N 2.84Å; E26-K28 VanDerWaalsContact C-N 3.28Å; E26-K28 PolarHBondContact O-N 2.95Å |
| 29 | H | 86.9 | Confident | 87.6 | Confident | 141 Ų | 141 | 126.3 Ų | 126.3 | 65% | 0.653 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -102.6 | -8.9 | -177.1 | -57.4 | 93.3 | 0 | 0 | 0 | 113.1 | K25 E26 L27 K31 | K25-H29 PolarHBondContact O-N 3.44Å; K25-H29 PolarHBondContact O-ND1 3.44Å; E26-H29 PolarHBondContact O-N 2.82Å; E26-H29 VanDerWaalsContact O-N 3.09Å; L27-H29 VanDerWaalsContact C-N 3.27Å; L27-H29 PolarHBondContact O-N 3.01Å; H29-K31 PolarHBondContact O-N 3.01Å; H29-K31 VanDerWaalsContact O-N 3.13Å |
| 30 | Q | 86.2 | Confident | 86.8 | Confident | 121 Ų | 121 | 126.3 Ų | 126.3 | 57% | 0.565 | 62% | 0.62 | S | S | * | * | trans | -70.5 | 106.4 | 176.4 | -167.2 | 174.9 | 31 | 0 | 0 | 110.3 | E26 L27 I32 | E26-Q30 PolarHBondContact O-N 2.87Å; L27-Q30 PolarHBondContact O-N 3.11Å; Q30-I32 HydrophobicContact CG-CG1 4.25Å | ||
| 31 | K | 84.2 | Confident | 86 | Confident | 169 Ų | 169 | 131.4 Ų | 131.4 | 74% | 0.735 | 64% | 0.638 | S | S | * | * | trans | -93.1 | 106.4 | 170.7 | -69.8 | -177.5 | -179.8 | 179.2 | 0 | 109.2 | H29 F33 | H29-K31 PolarHBondContact O-N 3.01Å; H29-K31 VanDerWaalsContact O-N 3.13Å; K31-F33 HydrophobicContact CB-CE2 4.03Å; K31-F33 HydrophobicContact CB-CZ 4.12Å; K31-F33 HydrophobicContact CD-CZ 4.35Å | ||
| 32 | I | 83.7 | Confident | 84.8 | Confident | 127 Ų | 127 | 133.9 Ų | 133.9 | 65% | 0.651 | 65% | 0.648 | S | S | * | * | trans | -86.8 | 111.7 | 171.8 | -57.6 | 174.7 | 0 | 0 | 0 | 107.4 | Q30 T34 | Q30-I32 HydrophobicContact CG-CG1 4.25Å; I32-T34 HydrophobicContact CG2-CG2 4.06Å; I32-T34 PolarHBondContact O-N 3.37Å | ||
| 33 | F | 82.3 | Confident | 83.5 | Confident | 162 Ų | 162 | 140.4 Ų | 140.4 | 71% | 0.711 | 67% | 0.671 | S | S | * | * | trans | -85.8 | 100.4 | 172.3 | -62.3 | -79.8 | 0 | 0 | 0 | 108.7 | K31 | K31-F33 HydrophobicContact CB-CE2 4.03Å; K31-F33 HydrophobicContact CB-CZ 4.12Å; K31-F33 HydrophobicContact CD-CZ 4.35Å | ||
| 34 | T | 83.2 | Confident | 82.2 | Confident | 117 Ų | 117 | 142.7 Ų | 142.7 | 72% | 0.718 | 69% | 0.688 | S | S | * | * | trans | -81.2 | -27.2 | 176.2 | 51.1 | 0 | 0 | 0 | 0 | 112.3 | I32 | I32-T34 HydrophobicContact CG2-CG2 4.06Å; I32-T34 PolarHBondContact O-N 3.37Å | ||
| 35 | E | 82.6 | Confident | 81 | Confident | 177 Ų | 177 | 140.2 Ų | 140.2 | 83% | 0.827 | 68% | 0.683 | S | S | * | * | trans | -102.5 | 114.8 | 174.9 | -63.3 | -172.5 | -177.4 | 0 | 0 | 108.9 | ||||
| 36 | Y | 78 | Confident | 80.1 | Confident | 208 Ų | 208 | 143 Ų | 143 | 82% | 0.816 | 70% | 0.695 | S | S | * | * | trans | -124.7 | 139.9 | 169.8 | 63.2 | -87.2 | 0 | 0 | 0 | 108.6 | ||||
| 37 | S | 78.4 | Confident | 79 | Confident | 107 Ų | 107 | 142.9 Ų | 142.9 | 75% | 0.748 | 71% | 0.706 | S | S | * | * | trans | -128.6 | 147.6 | 170.3 | 63.3 | 0 | 0 | 0 | 0 | 108.7 | N39 | S37-N39 PolarHBondContact O-N 3.27Š| ||
| 38 | I | 75.5 | Confident | 78.3 | Confident | 141 Ų | 141 | 145.1 Ų | 145.1 | 72% | 0.723 | 72% | 0.718 | S | S | * | * | trans | -69.2 | 126.3 | 173.7 | -59.6 | 172.2 | 0 | 0 | 0 | 106.7 | P40 | I38-P40 VanDerWaalsContact O-CD 3.28Å; I38-P40 WeakPolarHBondContact O-CD 3.28Å; I38-P40 VanDerWaalsContact O-N 3.09Å | ||
| 39 | N | 75.9 | Confident | 77.2 | Confident | 78 Ų | 78 | 143.9 Ų | 143.9 | 42% | 0.417 | 71% | 0.709 | S | S | . | * | trans | -56.9 | 116.2 | 176.4 | 179.2 | -11.3 | 0 | 0 | 0 | 109.7 | S37 F41 K42 | S37-N39 PolarHBondContact O-N 3.27Å; N39-F41 PolarHBondContact O-N 3.41Å; N39-F41 PolarHBondContact OD1-N 3.35Å; N39-K42 CarbonylContact O-C 3.58Å; N39-K42 PolarHBondContact O-N 2.94Å; N39-K42 PolarHBondContact OD1-N 3.23Å | ||
| 40 | P | 78.5 | Confident | 76.4 | Confident | 111 Ų | 111 | 144.5 Ų | 144.5 | 72% | 0.721 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -18.6 | -175.3 | 26.6 | -32.9 | 0 | 0 | 0 | 113.2 | I38 | I38-P40 VanDerWaalsContact O-CD 3.28Å; I38-P40 WeakPolarHBondContact O-CD 3.28Å; I38-P40 VanDerWaalsContact O-N 3.09Å |
| 41 | F | 77.5 | Confident | 75.4 | Confident | 193 Ų | 193 | 147 Ų | 147 | 85% | 0.846 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | -12.6 | -178.6 | -55.5 | -71.8 | 0 | 0 | 0 | 113.5 | N39 | N39-F41 PolarHBondContact O-N 3.41Å; N39-F41 PolarHBondContact OD1-N 3.35Å |
| 42 | K | 70.3 | Confident | 74.3 | Confident | 150 Ų | 150 | 147.2 Ų | 147.2 | 65% | 0.652 | 73% | 0.731 | S | S | * | * | trans | -145.8 | 105.6 | -178.2 | -151.6 | 176.5 | -173.7 | -178.5 | 0 | 110.6 | N39 T44 | N39-K42 CarbonylContact O-C 3.58Å; N39-K42 PolarHBondContact O-N 2.94Å; N39-K42 PolarHBondContact OD1-N 3.23Å; K42-T44 PolarHBondContact O-N 3.37Å | ||
| 43 | K | 69.4 | Low | 73 | Confident | 196 Ų | 196 | 144.6 Ų | 144.6 | 85% | 0.852 | 73% | 0.728 | S | S | * | * | trans | -71 | 114.9 | 170.9 | -62.3 | -171.2 | -179 | -177.4 | 0 | 108.1 | ||||
| 44 | T | 67 | Low | 71.9 | Confident | 120 Ų | 120 | 144.3 Ų | 144.3 | 74% | 0.736 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 134.7 | 170.3 | 48.1 | 0 | 0 | 0 | 0 | 109.1 | K42 | K42-T44 PolarHBondContact O-N 3.37Š|
| 45 | D | 70.6 | Confident | 71.1 | Confident | 103 Ų | 103 | 143.5 Ų | 143.5 | 55% | 0.551 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 159.9 | 172.4 | -90.1 | -41.3 | 0 | 0 | 0 | 112 | R49 | D45-R49 HydrophobicContact CB-CB 4.39Å; D45-R49 VanDerWaalsContact CG-NH1 3.26Å; D45-R49 WeakPolarHBondContact OD1-CD 3.34Å; D45-R49 IonicContact OD1-CZ 2.66Å; D45-R49 IonicContact OD1-NE 2.99Å; D45-R49 IonicContact OD1-NH1 3.88Å; D45-R49 PolarHBondContact OD1-NH1 3.4Å; D45-R49 WeakPolarHBondContact OD2-CD 3.47Å; D45-R49 IonicContact OD2-CZ 3.58Å; D45-R49 IonicContact OD2-NE 3.84Å; D45-R49 IonicContact OD2-NH1 3.21Å; D45-R49 PolarHBondContact OD2-NH1 2.92Å |
| 46 | K | 76.2 | Confident | 70.3 | Confident | 169 Ų | 169 | 141.7 Ų | 141.7 | 74% | 0.735 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 139.3 | 176.3 | -67.8 | 179.4 | 178.1 | 178.7 | 0 | 109.5 | N48 R49 | K46-N48 PolarHBondContact O-N 3.17Å; K46-N48 VanDerWaalsContact O-N 3.08Å; K46-R49 HydrophobicContact CB-CB 4.3Å; K46-R49 VanDerWaalsContact O-CB 3.23Å; K46-R49 WeakPolarHBondContact O-CB 3.38Å; K46-R49 PolarHBondContact O-N 3.12Å |
| 47 | P | 70.3 | Confident | 70.5 | Confident | 132 Ų | 132 | 136.7 Ų | 136.7 | 86% | 0.857 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -24.8 | 179.3 | 23.5 | -33.3 | 0 | 0 | 0 | 113 | ||
| 48 | N | 76.2 | Confident | 70.9 | Confident | 153 Ų | 153 | 139.5 Ų | 139.5 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | 12.5 | 176.8 | -62.7 | -3.3 | 0 | 0 | 0 | 113 | K46 I50 | K46-N48 PolarHBondContact O-N 3.17Å; K46-N48 VanDerWaalsContact O-N 3.08Å; N48-I50 PolarHBondContact O-N 3.26Å; N48-I50 VanDerWaalsContact O-N 3.16Å |
| 49 | R | 68.8 | Low | 71.6 | Confident | 146 Ų | 146 | 138.5 Ų | 138.5 | 55% | 0.551 | 71% | 0.709 | S | S | * | * | trans | -65.8 | 117.8 | 172.8 | -169.9 | 177 | -165.6 | -150.9 | -2.9 | 106.8 | D45 K46 Q51 | D45-R49 HydrophobicContact CB-CB 4.39Å; D45-R49 VanDerWaalsContact CG-NH1 3.26Å; D45-R49 WeakPolarHBondContact OD1-CD 3.34Å; D45-R49 IonicContact OD1-CZ 2.66Å; D45-R49 IonicContact OD1-NE 2.99Å; D45-R49 IonicContact OD1-NH1 3.88Å; D45-R49 PolarHBondContact OD1-NH1 3.4Å; D45-R49 WeakPolarHBondContact OD2-CD 3.47Å; D45-R49 IonicContact OD2-CZ 3.58Å; D45-R49 IonicContact OD2-NE 3.84Å; D45-R49 IonicContact OD2-NH1 3.21Å; D45-R49 PolarHBondContact OD2-NH1 2.92Å; K46-R49 HydrophobicContact CB-CB 4.3Å; K46-R49 VanDerWaalsContact O-CB 3.23Å; K46-R49 WeakPolarHBondContact O-CB 3.38Å; K46-R49 PolarHBondContact O-N 3.12Å; R49-Q51 PolarHBondContact O-N 2.89Å | ||
| 50 | I | 69.7 | Low | 72.1 | Confident | 155 Ų | 155 | 140.9 Ų | 140.9 | 80% | 0.795 | 72% | 0.715 | S | S | * | * | trans | -59.6 | 109.3 | 164.9 | -60.1 | 169 | 0 | 0 | 0 | 104.7 | N48 E52 | N48-I50 PolarHBondContact O-N 3.26Å; N48-I50 VanDerWaalsContact O-N 3.16Å; I50-E52 PolarHBondContact O-N 3.34Å; I50-E52 VanDerWaalsContact O-N 3.11Å | ||
| 51 | Q | 65.8 | Low | 72.6 | Confident | 173 Ų | 173 | 136.7 Ų | 136.7 | 81% | 0.808 | 69% | 0.69 | S | S | * | * | trans | -63.9 | 114 | 169.4 | -68.6 | 177.2 | 1.5 | 0 | 0 | 104.8 | R49 A53 | R49-Q51 PolarHBondContact O-N 2.89Å; Q51-A53 PolarHBondContact O-N 2.87Å | ||
| 52 | E | 59.7 | Low | 73.3 | Confident | 174 Ų | 174 | 133.1 Ų | 133.1 | 81% | 0.813 | 68% | 0.676 | S | S | * | * | trans | -54.6 | 112.6 | 161.2 | -63.8 | -108.9 | 162.9 | 0 | 0 | 103.8 | I50 D54 | I50-E52 PolarHBondContact O-N 3.34Å; I50-E52 VanDerWaalsContact O-N 3.11Å; E52-D54 PolarHBondContact O-N 3.1Å | ||
| 53 | A | 58.1 | Low | 74.4 | Confident | 71 Ų | 71 | 129.2 Ų | 129.2 | 59% | 0.587 | 67% | 0.665 | S | S | * | * | trans | -53.9 | 109.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | Q51 A55 E56 | Q51-A53 PolarHBondContact O-N 2.87Å; A53-A55 PolarHBondContact O-N 3.39Å; A53-E56 HydrophobicContact CB-CG 4.46Å | ||
| 54 | D | 59.2 | Low | 75.5 | Confident | 156 Ų | 156 | 123.8 Ų | 123.8 | 83% | 0.834 | 64% | 0.644 | S | S | * | * | trans | -43.9 | 118 | 170.3 | -72.5 | -40.8 | 0 | 0 | 0 | 105.6 | E52 E56 | E52-D54 PolarHBondContact O-N 3.1Å; D54-E56 WeakPolarHBondContact O-CA 3.42Å; D54-E56 PolarHBondContact O-N 3.25Å | ||
| 55 | A | 65.6 | Low | 76.7 | Confident | 100 Ų | 100 | 124.3 Ų | 124.3 | 83% | 0.826 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -28.3 | 105.4 | -163 | 0 | 0 | 0 | 0 | 0 | 110.5 | A53 D57 | A53-A55 PolarHBondContact O-N 3.39Å; A55-D57 PolarHBondContact O-N 3.13Å |
| 56 | E | 66.5 | Low | 77.8 | Confident | 140 Ų | 140 | 127 Ų | 127 | 65% | 0.654 | 64% | 0.641 | S | S | * | * | trans | -36.2 | 127.3 | -164.3 | -71.1 | 179.4 | 176.4 | 0 | 0 | 110.3 | A53 D54 K58 | A53-E56 HydrophobicContact CB-CG 4.46Å; D54-E56 WeakPolarHBondContact O-CA 3.42Å; D54-E56 PolarHBondContact O-N 3.25Å; E56-K58 PolarHBondContact O-N 3.29Å | ||
| 57 | D | 82.2 | Confident | 78.7 | Confident | 103 Ų | 103 | 122.1 Ų | 122.1 | 55% | 0.551 | 63% | 0.632 | S | S | * | * | trans | -52.7 | 106.5 | 177.5 | 178.4 | 4.5 | 0 | 0 | 0 | 107.7 | A55 H59 F60 A61 | A55-D57 PolarHBondContact O-N 3.13Å; D57-H59 PolarHBondContact O-N 2.81Å; D57-H59 VanDerWaalsContact O-N 3.07Å; D57-H59 VanDerWaalsContact OD1-CB 3.31Å; D57-H59 WeakPolarHBondContact OD1-CB 3.4Å; D57-H59 PolarHBondContact OD1-N 3.05Å; D57-H59 VanDerWaalsContact OD1-N 3.1Å; D57-F60 HydrophobicContact CB-CB 3.96Å; D57-F60 WeakPolarHBondContact O-CA 3.23Å; D57-F60 WeakPolarHBondContact O-CB 3.48Å; D57-F60 PolarHBondContact O-N 3.49Å; D57-A61 PolarHBondContact O-N 3.34Å | ||
| 58 | K | 85.8 | Confident | 79.8 | Confident | 166 Ų | 166 | 120.3 Ų | 120.3 | 72% | 0.722 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -55.7 | -33.7 | -173.8 | -67.2 | -177.7 | 178.6 | -179.1 | 0 | 110.1 | E56 A61 E62 | E56-K58 PolarHBondContact O-N 3.29Å; K58-A61 PolarHBondContact O-N 2.74Å; K58-E62 WeakPolarHBondContact O-CB 3.01Å; K58-E62 VanDerWaalsContact O-CG 3.23Å; K58-E62 WeakPolarHBondContact O-CG 2.69Å; K58-E62 PolarHBondContact O-N 2.73Å |
| 59 | H | 89.7 | Confident | 80.5 | Confident | 120 Ų | 120 | 116.7 Ų | 116.7 | 56% | 0.556 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63 | -45.4 | 175.1 | -177.6 | 59.2 | 0 | 0 | 0 | 111.8 | D57 E62 V63 | D57-H59 PolarHBondContact O-N 2.81Å; D57-H59 VanDerWaalsContact O-N 3.07Å; D57-H59 VanDerWaalsContact OD1-CB 3.31Å; D57-H59 WeakPolarHBondContact OD1-CB 3.4Å; D57-H59 PolarHBondContact OD1-N 3.05Å; D57-H59 VanDerWaalsContact OD1-N 3.1Å; H59-E62 PolarHBondContact O-N 3.4Å; H59-V63 WeakPolarHBondContact O-CB 3.44Å; H59-V63 VanDerWaalsContact O-CG2 3.23Å; H59-V63 WeakPolarHBondContact O-CG2 3.22Å; H59-V63 PolarHBondContact O-N 3.22Å |
| 60 | F | 88 | Confident | 81.6 | Confident | 127 Ų | 127 | 114.5 Ų | 114.5 | 56% | 0.557 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -64.9 | -42.2 | 177.9 | -170.9 | -109 | 0 | 0 | 0 | 112 | D57 E62 V63 I64 | D57-F60 HydrophobicContact CB-CB 3.96Å; D57-F60 WeakPolarHBondContact O-CA 3.23Å; D57-F60 WeakPolarHBondContact O-CB 3.48Å; D57-F60 PolarHBondContact O-N 3.49Å; F60-E62 PolarHBondContact O-N 2.95Å; F60-V63 PolarHBondContact O-N 3.25Å; F60-I64 HydrophobicContact CD1-CD1 3.68Å; F60-I64 HydrophobicContact CD1-CG1 4.47Å; F60-I64 HydrophobicContact CE1-CD1 3.21Å; F60-I64 HydrophobicContact CE1-CG1 4.18Å; F60-I64 HydrophobicContact CE2-CD1 4.41Å; F60-I64 HydrophobicContact CG-CD1 4.48Å; F60-I64 HydrophobicContact CZ-CD1 3.63Å; F60-I64 HydrophobicContact CZ-CG1 4.26Å; F60-I64 WeakPolarHBondContact O-CG1 3.31Å; F60-I64 PolarHBondContact O-N 2.83Å |
| 61 | A | 88.2 | Confident | 82.7 | Confident | 23 Ų | 23 | 109.7 Ų | 109.7 | 19% | 0.19 | 58% | 0.577 | C | S | . | * | H | α-helix | trans | -60.1 | -45.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | D57 K58 V63 I64 Q65 | D57-A61 PolarHBondContact O-N 3.34Å; K58-A61 PolarHBondContact O-N 2.74Å; A61-V63 PolarHBondContact O-N 3.48Å; A61-I64 PolarHBondContact O-N 2.7Å; A61-Q65 WeakPolarHBondContact O-CB 3.37Å; A61-Q65 VanDerWaalsContact O-CG 3.24Å; A61-Q65 WeakPolarHBondContact O-CG 3.5Å; A61-Q65 PolarHBondContact O-N 2.88Å |
| 62 | E | 91.9 | Very high | 83.9 | Confident | 118 Ų | 118 | 104.2 Ų | 104.2 | 55% | 0.551 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.8 | -40.6 | 175 | -75.6 | 170.5 | -165.4 | 0 | 0 | 112.3 | K58 H59 F60 Q65 R66 | K58-E62 WeakPolarHBondContact O-CB 3.01Å; K58-E62 VanDerWaalsContact O-CG 3.23Å; K58-E62 WeakPolarHBondContact O-CG 2.69Å; K58-E62 PolarHBondContact O-N 2.73Å; H59-E62 PolarHBondContact O-N 3.4Å; F60-E62 PolarHBondContact O-N 2.95Å; E62-Q65 PolarHBondContact O-N 3.08Å; E62-R66 WeakPolarHBondContact O-CB 3.5Å; E62-R66 PolarHBondContact O-N 2.73Å |
| 63 | V | 93.1 | Very high | 85.4 | Confident | 69 Ų | 69 | 102.1 Ų | 102.1 | 42% | 0.418 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.7 | -44.4 | 176.9 | 168.5 | 0 | 0 | 0 | 0 | 110.9 | H59 F60 A61 R66 A67 | H59-V63 WeakPolarHBondContact O-CB 3.44Å; H59-V63 VanDerWaalsContact O-CG2 3.23Å; H59-V63 WeakPolarHBondContact O-CG2 3.22Å; H59-V63 PolarHBondContact O-N 3.22Å; F60-V63 PolarHBondContact O-N 3.25Å; A61-V63 PolarHBondContact O-N 3.48Å; V63-R66 PolarHBondContact O-N 3.49Å; V63-A67 VanDerWaalsContact O-CB 3.22Å; V63-A67 WeakPolarHBondContact O-CB 3.34Å; V63-A67 PolarHBondContact O-N 3.4Å |
| 64 | I | 92.7 | Very high | 87 | Confident | 82 Ų | 82 | 101.6 Ų | 101.6 | 42% | 0.421 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.5 | -44.7 | 176.7 | -70.3 | 174.6 | 0 | 0 | 0 | 111 | F60 A61 A67 S68 | F60-I64 HydrophobicContact CD1-CD1 3.68Å; F60-I64 HydrophobicContact CD1-CG1 4.47Å; F60-I64 HydrophobicContact CE1-CD1 3.21Å; F60-I64 HydrophobicContact CE1-CG1 4.18Å; F60-I64 HydrophobicContact CE2-CD1 4.41Å; F60-I64 HydrophobicContact CG-CD1 4.48Å; F60-I64 HydrophobicContact CZ-CD1 3.63Å; F60-I64 HydrophobicContact CZ-CG1 4.26Å; F60-I64 WeakPolarHBondContact O-CG1 3.31Å; F60-I64 PolarHBondContact O-N 2.83Å; A61-I64 PolarHBondContact O-N 2.7Å; I64-A67 PolarHBondContact O-N 3.01Å; I64-S68 WeakPolarHBondContact O-CB 3.47Å; I64-S68 PolarHBondContact O-N 3.37Å; I64-S68 PolarHBondContact O-OG 3.22Å |
| 65 | Q | 93.1 | Very high | 88.7 | Confident | 131 Ų | 131 | 99 Ų | 99 | 61% | 0.612 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.8 | -49.8 | 177.4 | -76.2 | 178.1 | 12.2 | 0 | 0 | 110.2 | A61 E62 A67 S68 L69 | A61-Q65 WeakPolarHBondContact O-CB 3.37Å; A61-Q65 VanDerWaalsContact O-CG 3.24Å; A61-Q65 WeakPolarHBondContact O-CG 3.5Å; A61-Q65 PolarHBondContact O-N 2.88Å; E62-Q65 PolarHBondContact O-N 3.08Å; Q65-A67 VanDerWaalsContact C-N 3.32Å; Q65-A67 PolarHBondContact O-N 3.24Å; Q65-S68 WeakPolarHBondContact O-CB 3.41Å; Q65-S68 PolarHBondContact O-N 3.01Å; Q65-S68 VanDerWaalsContact O-N 3.1Å; Q65-L69 PolarHBondContact O-N 3.23Å |
| 66 | R | 93.9 | Very high | 90 | Very high | 160 Ų | 160 | 102.3 Ų | 102.3 | 60% | 0.604 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -57.5 | -46.3 | 175 | -174.4 | -179.9 | 178.8 | -158.7 | -0.9 | 110.5 | E62 V63 S68 L69 K74 | E62-R66 WeakPolarHBondContact O-CB 3.5Å; E62-R66 PolarHBondContact O-N 2.73Å; V63-R66 PolarHBondContact O-N 3.49Å; R66-S68 PolarHBondContact O-N 3Å; R66-L69 WeakPolarHBondContact O-CB 3.23Å; R66-L69 PolarHBondContact O-N 3.39Å; R66-L69 VanDerWaalsContact O-N 3.16Å; R66-K74 WeakPolarHBondContact O-CE 3.43Å |
| 67 | A | 93.3 | Very high | 91.3 | Very high | 66 Ų | 66 | 101.9 Ų | 101.9 | 55% | 0.545 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.9 | -27.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V63 I64 Q65 K74 | V63-A67 VanDerWaalsContact O-CB 3.22Å; V63-A67 WeakPolarHBondContact O-CB 3.34Å; V63-A67 PolarHBondContact O-N 3.4Å; I64-A67 PolarHBondContact O-N 3.01Å; Q65-A67 VanDerWaalsContact C-N 3.32Å; Q65-A67 PolarHBondContact O-N 3.24Å; A67-K74 PolarHBondContact O-NZ 3.14Å |
| 68 | S | 93.8 | Very high | 92 | Very high | 93 Ų | 93 | 98.8 Ų | 98.8 | 65% | 0.65 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -79.6 | -16 | 176.8 | -57.4 | 0 | 0 | 0 | 0 | 114 | I64 Q65 R66 | I64-S68 WeakPolarHBondContact O-CB 3.47Å; I64-S68 PolarHBondContact O-N 3.37Å; I64-S68 PolarHBondContact O-OG 3.22Å; Q65-S68 WeakPolarHBondContact O-CB 3.41Å; Q65-S68 PolarHBondContact O-N 3.01Å; Q65-S68 VanDerWaalsContact O-N 3.1Å; R66-S68 PolarHBondContact O-N 3Å |
| 69 | L | 92.3 | Very high | 92.4 | Very high | 78 Ų | 78 | 95.9 Ų | 95.9 | 41% | 0.408 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -66.4 | 148.5 | 178 | -64.7 | 174.4 | 0 | 0 | 0 | 112.1 | Q65 R66 K73 K74 | Q65-L69 PolarHBondContact O-N 3.23Å; R66-L69 WeakPolarHBondContact O-CB 3.23Å; R66-L69 PolarHBondContact O-N 3.39Å; R66-L69 VanDerWaalsContact O-N 3.16Å; L69-K73 HydrophobicContact CB-CB 4.31Å; L69-K73 HydrophobicContact CD2-CD 4.39Å; L69-K74 HydrophobicContact CB-CG 4.06Å; L69-K74 WeakPolarHBondContact O-CE 3.44Å; L69-K74 PolarHBondContact O-NZ 3.01Å |
| 70 | E | 91.4 | Very high | 92.6 | Very high | 100 Ų | 100 | 93.8 Ų | 93.8 | 47% | 0.467 | 48% | 0.479 | S | S | . | . | trans | -62.3 | 149.7 | 172.9 | -65.6 | 153.6 | -125.4 | 0 | 0 | 111.3 | P72 K73 K74 | E70-P72 VanDerWaalsContact C-CD 3.5Å; E70-K73 HydrophobicContact CB-CD 4.42Å; E70-K73 WeakPolarHBondContact O-CB 3.41Å; E70-K73 PolarHBondContact O-N 3.2Å; E70-K73 IonicContact OE1-NZ 2.7Å; E70-K73 PolarHBondContact OE1-NZ 3.06Å; E70-K73 IonicContact OE2-NZ 2.93Å; E70-K74 PolarHBondContact O-N 2.96Å | ||
| 71 | P | 92.4 | Very high | 93 | Very high | 54 Ų | 54 | 95.4 Ų | 95.4 | 35% | 0.351 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -52.6 | -43.3 | -179.9 | -24.4 | 32.7 | 0 | 0 | 0 | 115.2 | K73 K74 Y75 W87 | P71-K73 PolarHBondContact O-N 3.11Å; P71-K73 VanDerWaalsContact O-N 3.14Å; P71-K74 PolarHBondContact O-N 3.41Å; P71-Y75 PolarHBondContact O-N 3.07Å; P71-W87 HydrophobicContact CB-CE3 4.41Å; P71-W87 HydrophobicContact CB-CH2 4.19Å; P71-W87 HydrophobicContact CB-CZ3 3.58Å; P71-W87 WeakPolarHBondContact O-CH2 3.49Å |
| 72 | P | 91.3 | Very high | 93.2 | Very high | 57 Ų | 57 | 101.4 Ų | 101.4 | 37% | 0.37 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.4 | -17.8 | 178.2 | -22.8 | 35.3 | 0 | 0 | 0 | 114.3 | E70 W87 | E70-P72 VanDerWaalsContact C-CD 3.5Å; P72-W87 HydrophobicContact CB-CZ2 4.39Å; P72-W87 HydrophobicContact CG-CD2 4.33Å; P72-W87 HydrophobicContact CG-CE3 4.32Å; P72-W87 HydrophobicContact CG-CZ3 4.49Å; P72-W87 WeakPolarHBondContact CG-O 3.43Å |
| 73 | K | 91.2 | Very high | 93.3 | Very high | 131 Ų | 131 | 98.2 Ų | 98.2 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -87.4 | -17.9 | 174.8 | -62.2 | 177.4 | -177.5 | 161.6 | 0 | 112.4 | L69 E70 P71 | L69-K73 HydrophobicContact CB-CB 4.31Å; L69-K73 HydrophobicContact CD2-CD 4.39Å; E70-K73 HydrophobicContact CB-CD 4.42Å; E70-K73 WeakPolarHBondContact O-CB 3.41Å; E70-K73 PolarHBondContact O-N 3.2Å; E70-K73 IonicContact OE1-NZ 2.7Å; E70-K73 PolarHBondContact OE1-NZ 3.06Å; E70-K73 IonicContact OE2-NZ 2.93Å; P71-K73 PolarHBondContact O-N 3.11Å; P71-K73 VanDerWaalsContact O-N 3.14Å |
| 74 | K | 92.4 | Very high | 93.3 | Very high | 60 Ų | 60 | 101 Ų | 101 | 26% | 0.261 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -96.1 | -38.6 | -177.4 | -72 | 168.6 | 170.3 | 158 | 0 | 113.1 | R66 A67 L69 E70 P71 | R66-K74 WeakPolarHBondContact O-CE 3.43Å; A67-K74 PolarHBondContact O-NZ 3.14Å; L69-K74 HydrophobicContact CB-CG 4.06Å; L69-K74 WeakPolarHBondContact O-CE 3.44Å; L69-K74 PolarHBondContact O-NZ 3.01Å; E70-K74 PolarHBondContact O-N 2.96Å; P71-K74 PolarHBondContact O-N 3.41Å |
| 75 | Y | 93.2 | Very high | 93.3 | Very high | 100 Ų | 100 | 108 Ų | 108 | 39% | 0.392 | 53% | 0.533 | S | S | . | . | trans | -127.8 | 152.3 | -174.7 | -46.7 | -78.2 | 0 | 0 | 0 | 109.5 | P71 E77 Q79 W87 | P71-Y75 PolarHBondContact O-N 3.07Å; Y75-E77 WeakPolarHBondContact CB-O 3.29Å; Y75-Q79 HydrophobicContact CD1-CG 3.93Å; Y75-Q79 HydrophobicContact CD2-CG 3.82Å; Y75-Q79 HydrophobicContact CE1-CG 4.24Å; Y75-Q79 HydrophobicContact CE2-CG 4.13Å; Y75-Q79 HydrophobicContact CG-CG 3.71Å; Y75-W87 VanDerWaalsContact O-CZ2 3.29Å; Y75-W87 WeakPolarHBondContact O-CZ2 3.38Å | ||
| 76 | I | 93.8 | Very high | 93.1 | Very high | 170 Ų | 170 | 104 Ų | 104 | 87% | 0.872 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -75.6 | -34.1 | 178.2 | -64 | 166.7 | 0 | 0 | 0 | 110.2 | ||
| 77 | E | 94.2 | Very high | 93.2 | Very high | 132 Ų | 132 | 98.5 Ų | 98.5 | 62% | 0.617 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -131.2 | 153.1 | -176.3 | 65.5 | -170.8 | 174.7 | 0 | 0 | 110.8 | Y75 Q79 W87 | Y75-E77 WeakPolarHBondContact CB-O 3.29Å; E77-Q79 PolarHBondContact O-N 3.44Å; E77-Q79 PolarHBondContact O-NE2 2.91Å; E77-W87 WeakPolarHBondContact O-CH2 3.47Å |
| 78 | P | 95.5 | Very high | 93.1 | Very high | 38 Ų | 38 | 102.2 Ų | 102.2 | 25% | 0.247 | 52% | 0.516 | C | S | . | . | trans | -59.6 | 132.7 | 175.5 | 24 | -31.4 | 0 | 0 | 0 | 110.3 | Q83 E84 W87 | P78-Q83 HydrophobicContact CB-CB 3.69Å; P78-E84 HydrophobicContact CB-CG 3.97Å; P78-E84 HydrophobicContact CG-CG 3.67Å; P78-W87 HydrophobicContact CB-CD2 3.95Å; P78-W87 HydrophobicContact CB-CE3 3.7Å; P78-W87 HydrophobicContact CB-CG 4.42Å; P78-W87 HydrophobicContact CB-CZ3 4.12Å; P78-W87 HydrophobicContact CG-CD2 4.26Å; P78-W87 HydrophobicContact CG-CE3 4.49Å; P78-W87 HydrophobicContact CG-CG 4.36Å | ||
| 79 | Q | 94.6 | Very high | 92.8 | Very high | 105 Ų | 105 | 102.3 Ų | 102.3 | 49% | 0.491 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -86.9 | -16.2 | -178.3 | -59.3 | -60.4 | -72.3 | 0 | 0 | 112.5 | Y75 E77 | Y75-Q79 HydrophobicContact CD1-CG 3.93Å; Y75-Q79 HydrophobicContact CD2-CG 3.82Å; Y75-Q79 HydrophobicContact CE1-CG 4.24Å; Y75-Q79 HydrophobicContact CE2-CG 4.13Å; Y75-Q79 HydrophobicContact CG-CG 3.71Å; E77-Q79 PolarHBondContact O-N 3.44Å; E77-Q79 PolarHBondContact O-NE2 2.91Å |
| 80 | T | 94.1 | Very high | 92.7 | Very high | 75 Ų | 75 | 106.1 Ų | 106.1 | 46% | 0.46 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -140.4 | 153.4 | 178.1 | 64.2 | 0 | 0 | 0 | 0 | 110.3 | N82 Q83 | T80-N82 PolarHBondContact O-N 3.28Å; T80-Q83 WeakPolarHBondContact O-CB 3.21Å; T80-Q83 PolarHBondContact O-N 2.76Å; T80-Q83 WeakPolarHBondContact OG1-CG 3.23Å |
| 81 | E | 95.5 | Very high | 92.6 | Very high | 161 Ų | 161 | 105.6 Ų | 105.6 | 75% | 0.752 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -53.8 | -37.7 | 177.8 | -63.7 | 178.3 | 175.3 | 0 | 0 | 111.8 | Q83 E84 | E81-Q83 PolarHBondContact O-N 3.47Å; E81-E84 WeakPolarHBondContact O-CB 3.38Å; E81-E84 PolarHBondContact O-N 3.16Å; E81-E84 VanDerWaalsContact O-N 3.12Å |
| 82 | N | 93 | Very high | 92.5 | Very high | 149 Ų | 149 | 111.6 Ų | 111.6 | 80% | 0.797 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.6 | -26 | 177.6 | -70.1 | -1.1 | 0 | 0 | 0 | 113.5 | T80 | T80-N82 PolarHBondContact O-N 3.28Å |
| 83 | Q | 94 | Very high | 92.4 | Very high | 52 Ų | 52 | 115.9 Ų | 115.9 | 24% | 0.243 | 58% | 0.582 | C | S | . | * | H | α-helix | trans | -76.2 | -24.6 | 176.5 | -72.6 | 178.9 | -8.9 | 0 | 0 | 112.2 | P78 T80 E81 Y85 G86 W87 | P78-Q83 HydrophobicContact CB-CB 3.69Å; T80-Q83 WeakPolarHBondContact O-CB 3.21Å; T80-Q83 PolarHBondContact O-N 2.76Å; T80-Q83 WeakPolarHBondContact OG1-CG 3.23Å; E81-Q83 PolarHBondContact O-N 3.47Å; Q83-Y85 VanDerWaalsContact C-N 3.32Å; Q83-Y85 PolarHBondContact O-N 2.86Å; Q83-G86 PolarHBondContact O-N 3.3Å; Q83-W87 HydrophobicContact CB-CE3 4.11Å; Q83-W87 HydrophobicContact CB-CZ3 4.31Å; Q83-W87 WeakPolarHBondContact O-CB 3.5Å; Q83-W87 PolarHBondContact O-N 3.1Å |
| 84 | E | 93.7 | Very high | 92.2 | Very high | 127 Ų | 127 | 118.7 Ų | 118.7 | 59% | 0.593 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -59.2 | -43.3 | -179.3 | -63.1 | -174.6 | 178.3 | 0 | 0 | 111.8 | P78 E81 G86 W87 | P78-E84 HydrophobicContact CB-CG 3.97Å; P78-E84 HydrophobicContact CG-CG 3.67Å; E81-E84 WeakPolarHBondContact O-CB 3.38Å; E81-E84 PolarHBondContact O-N 3.16Å; E81-E84 VanDerWaalsContact O-N 3.12Å; E84-G86 PolarHBondContact O-N 2.9Å; E84-G86 VanDerWaalsContact O-N 3.13Å; E84-W87 PolarHBondContact O-N 2.8Å |
| 85 | Y | 91.6 | Very high | 92 | Very high | 228 Ų | 228 | 121.4 Ų | 121.4 | 89% | 0.894 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -28.1 | -177.3 | -175.5 | -99.8 | 0 | 0 | 0 | 113.7 | Q83 | Q83-Y85 VanDerWaalsContact C-N 3.32Å; Q83-Y85 PolarHBondContact O-N 2.86Å |
| 86 | G | 90.5 | Very high | 91.9 | Very high | 47 Ų | 47 | 120.7 Ų | 120.7 | 49% | 0.485 | 62% | 0.617 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -116.2 | 8.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q83 E84 I88 | Q83-G86 PolarHBondContact O-N 3.3Å; E84-G86 PolarHBondContact O-N 2.9Å; E84-G86 VanDerWaalsContact O-N 3.13Å; G86-I88 PolarHBondContact O-N 3.43Å |
| 87 | W | 94.4 | Very high | 91.7 | Very high | 46 Ų | 46 | 121.4 Ų | 121.4 | 17% | 0.174 | 61% | 0.608 | C | S | . | * | S | Bend | trans | -64.7 | -41.4 | -172.5 | -161.6 | -107.9 | 0 | 0 | 0 | 112.2 | P71 P72 Y75 E77 P78 Q83 E84 | P71-W87 HydrophobicContact CB-CE3 4.41Å; P71-W87 HydrophobicContact CB-CH2 4.19Å; P71-W87 HydrophobicContact CB-CZ3 3.58Å; P71-W87 WeakPolarHBondContact O-CH2 3.49Å; P72-W87 HydrophobicContact CB-CZ2 4.39Å; P72-W87 HydrophobicContact CG-CD2 4.33Å; P72-W87 HydrophobicContact CG-CE3 4.32Å; P72-W87 HydrophobicContact CG-CZ3 4.49Å; P72-W87 WeakPolarHBondContact CG-O 3.43Å; Y75-W87 VanDerWaalsContact O-CZ2 3.29Å; Y75-W87 WeakPolarHBondContact O-CZ2 3.38Å; E77-W87 WeakPolarHBondContact O-CH2 3.47Å; P78-W87 HydrophobicContact CB-CD2 3.95Å; P78-W87 HydrophobicContact CB-CE3 3.7Å; P78-W87 HydrophobicContact CB-CG 4.42Å; P78-W87 HydrophobicContact CB-CZ3 4.12Å; P78-W87 HydrophobicContact CG-CD2 4.26Å; P78-W87 HydrophobicContact CG-CE3 4.49Å; P78-W87 HydrophobicContact CG-CG 4.36Å; Q83-W87 HydrophobicContact CB-CE3 4.11Å; Q83-W87 HydrophobicContact CB-CZ3 4.31Å; Q83-W87 WeakPolarHBondContact O-CB 3.5Å; Q83-W87 PolarHBondContact O-N 3.1Å; E84-W87 PolarHBondContact O-N 2.8Å |
| 88 | I | 91.7 | Very high | 91.6 | Very high | 144 Ų | 144 | 120.7 Ų | 120.7 | 74% | 0.738 | 61% | 0.613 | S | S | * | * | trans | -101.4 | 91.6 | 175.8 | -55.5 | 174.1 | 0 | 0 | 0 | 107.7 | G86 | G86-I88 PolarHBondContact O-N 3.43Š| ||
| 89 | S | 88.4 | Confident | 91.5 | Very high | 94 Ų | 94 | 119.8 Ų | 119.8 | 66% | 0.657 | 61% | 0.606 | S | S | * | * | trans | -81.4 | -19.5 | -178 | 60.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 90 | Q | 89.9 | Confident | 91.2 | Very high | 159 Ų | 159 | 119.5 Ų | 119.5 | 74% | 0.743 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -78.4 | 129.7 | 178.9 | -66.3 | -179.4 | -5.2 | 0 | 0 | 109.9 | ||
| 91 | P | 90 | Very high | 91.1 | Very high | 89 Ų | 89 | 124.6 Ų | 124.6 | 58% | 0.578 | 62% | 0.624 | S | S | * | * | trans | -67.1 | 147.9 | 178.3 | 30.9 | -35.4 | 0 | 0 | 0 | 110.2 | M93 | P91-M93 WeakPolarHBondContact CB-O 3.24Å; P91-M93 PolarHBondContact O-N 2.88Å | ||
| 92 | L | 89.6 | Confident | 90.8 | Very high | 179 Ų | 179 | 124.1 Ų | 124.1 | 94% | 0.937 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -61 | -30.4 | 176.8 | -178.1 | 62.7 | 0 | 0 | 0 | 112.6 | ||
| 93 | M | 88.4 | Confident | 90.8 | Very high | 148 Ų | 148 | 121.3 Ų | 121.3 | 73% | 0.729 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -127.5 | 129.1 | 174.4 | -63.3 | -172 | -59.3 | 0 | 0 | 108.7 | P91 I95 | P91-M93 WeakPolarHBondContact CB-O 3.24Å; P91-M93 PolarHBondContact O-N 2.88Å; M93-I95 PolarHBondContact O-N 2.97Å |
| 94 | E | 88.5 | Confident | 90.7 | Very high | 189 Ų | 189 | 125.7 Ų | 125.7 | 88% | 0.883 | 62% | 0.619 | S | S | * | * | trans | -66.6 | 121.9 | 170.9 | -65.5 | -173.1 | 177.7 | 0 | 0 | 109.2 | ||||
| 95 | I | 87.3 | Confident | 90.7 | Very high | 117 Ų | 117 | 122.6 Ų | 122.6 | 60% | 0.6 | 61% | 0.61 | S | S | * | * | trans | -91.3 | 111 | 176.2 | -57.1 | 175.7 | 0 | 0 | 0 | 107.5 | M93 R97 | M93-I95 PolarHBondContact O-N 2.97Å; I95-R97 PolarHBondContact O-N 3.24Å; I95-R97 VanDerWaalsContact O-N 3.1Å | ||
| 96 | D | 90.6 | Very high | 90.8 | Very high | 86 Ų | 86 | 122 Ų | 122 | 46% | 0.46 | 61% | 0.612 | S | S | . | * | trans | -67.9 | 106.8 | 168.6 | -175.7 | 2.5 | 0 | 0 | 0 | 109.6 | T98 D99 | D96-T98 VanDerWaalsContact CG-OG1 3.22Å; D96-T98 PolarHBondContact O-N 2.9Å; D96-T98 WeakPolarHBondContact OD1-CA 3.42Å; D96-T98 WeakPolarHBondContact OD1-CB 3.31Å; D96-T98 PolarHBondContact OD1-N 2.98Å; D96-T98 PolarHBondContact OD1-OG1 2.96Å; D96-T98 PolarHBondContact OD2-OG1 2.84Å; D96-T98 VanDerWaalsContact OD2-OG1 3.09Å; D96-D99 HydrophobicContact CB-CB 4.29Å; D96-D99 PolarHBondContact O-N 3.11Å | ||
| 97 | R | 91.1 | Very high | 90.9 | Very high | 184 Ų | 184 | 125.7 Ų | 125.7 | 69% | 0.694 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -6.6 | 178 | -63.5 | -175.3 | 177.6 | -178.3 | -1.3 | 113 | I95 Y103 | I95-R97 PolarHBondContact O-N 3.24Å; I95-R97 VanDerWaalsContact O-N 3.1Å; R97-Y103 HydrophobicContact CB-CD1 4.09Å; R97-Y103 HydrophobicContact CB-CD2 4.31Å; R97-Y103 HydrophobicContact CB-CE1 4.08Å; R97-Y103 HydrophobicContact CB-CE2 4.32Å; R97-Y103 HydrophobicContact CB-CG 4.2Å; R97-Y103 HydrophobicContact CG-CD2 4.09Å; R97-Y103 HydrophobicContact CG-CE2 3.94Å; R97-Y103 HydrophobicContact CG-CG 4.47Å; R97-Y103 WeakPolarHBondContact O-CD1 3Å |
| 98 | T | 92.4 | Very high | 90.9 | Very high | 118 Ų | 118 | 126.1 Ų | 126.1 | 72% | 0.724 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -21.1 | 176 | 73.4 | 0 | 0 | 0 | 0 | 112.4 | D96 P100 | D96-T98 VanDerWaalsContact CG-OG1 3.22Å; D96-T98 PolarHBondContact O-N 2.9Å; D96-T98 WeakPolarHBondContact OD1-CA 3.42Å; D96-T98 WeakPolarHBondContact OD1-CB 3.31Å; D96-T98 PolarHBondContact OD1-N 2.98Å; D96-T98 PolarHBondContact OD1-OG1 2.96Å; D96-T98 PolarHBondContact OD2-OG1 2.84Å; D96-T98 VanDerWaalsContact OD2-OG1 3.09Å; T98-P100 VanDerWaalsContact O-CD 3.22Å; T98-P100 WeakPolarHBondContact O-CD 3.32Å |
| 99 | D | 92 | Very high | 91.1 | Very high | 19 Ų | 19 | 122.8 Ų | 122.8 | 10% | 0.102 | 63% | 0.627 | C | S | . | * | trans | -81.3 | 109 | 179.9 | -169.7 | -14.2 | 0 | 0 | 0 | 111.3 | D96 R101 F102 Y103 | D96-D99 HydrophobicContact CB-CB 4.29Å; D96-D99 PolarHBondContact O-N 3.11Å; D99-R101 PolarHBondContact O-N 3.16Å; D99-R101 VanDerWaalsContact O-N 3.11Å; D99-R101 WeakPolarHBondContact OD1-CB 3.46Å; D99-R101 VanDerWaalsContact OD1-CG 3.25Å; D99-R101 WeakPolarHBondContact OD1-CG 3.45Å; D99-R101 IonicContact OD1-CZ 3.73Å; D99-R101 PolarHBondContact OD1-N 2.97Å; D99-R101 IonicContact OD1-NE 2.69Å; D99-R101 PolarHBondContact OD1-NE 3.11Å; D99-R101 IonicContact OD1-NH2 3.78Å; D99-R101 IonicContact OD2-CZ 3.22Å; D99-R101 IonicContact OD2-NE 2.78Å; D99-R101 PolarHBondContact OD2-NE 3.43Å; D99-R101 IonicContact OD2-NH2 2.73Å; D99-R101 PolarHBondContact OD2-NH2 2.97Å; D99-F102 HydrophobicContact CB-CD2 4.37Å; D99-F102 PolarHBondContact O-N 3.35Å; D99-F102 VanDerWaalsContact OD2-CD2 3.32Å; D99-F102 WeakPolarHBondContact OD2-CD2 3.46Å; D99-F102 WeakPolarHBondContact OD2-CE2 3.37Å; D99-Y103 WeakPolarHBondContact O-CB 3.37Å; D99-Y103 PolarHBondContact O-N 3.14Å | ||
| 100 | P | 89.5 | Confident | 91.5 | Very high | 98 Ų | 98 | 126.4 Ų | 126.4 | 64% | 0.636 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | -13 | -179.3 | 30.5 | -36.4 | 0 | 0 | 0 | 112.8 | T98 F102 H104 | T98-P100 VanDerWaalsContact O-CD 3.22Å; T98-P100 WeakPolarHBondContact O-CD 3.32Å; P100-F102 VanDerWaalsContact C-N 3.31Å; P100-H104 PolarHBondContact O-CE1 3.26Å; P100-H104 PolarHBondContact O-NE2 2.78Å; P100-H104 VanDerWaalsContact O-NE2 3.14Å |
| 101 | R | 91 | Very high | 91.8 | Very high | 182 Ų | 182 | 124.6 Ų | 124.6 | 69% | 0.687 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -27.7 | 177.5 | -59.6 | 174.6 | -66.7 | 178.6 | 1.1 | 112.3 | D99 H104 | D99-R101 PolarHBondContact O-N 3.16Å; D99-R101 VanDerWaalsContact O-N 3.11Å; D99-R101 WeakPolarHBondContact OD1-CB 3.46Å; D99-R101 VanDerWaalsContact OD1-CG 3.25Å; D99-R101 WeakPolarHBondContact OD1-CG 3.45Å; D99-R101 IonicContact OD1-CZ 3.73Å; D99-R101 PolarHBondContact OD1-N 2.97Å; D99-R101 IonicContact OD1-NE 2.69Å; D99-R101 PolarHBondContact OD1-NE 3.11Å; D99-R101 IonicContact OD1-NH2 3.78Å; D99-R101 IonicContact OD2-CZ 3.22Å; D99-R101 IonicContact OD2-NE 2.78Å; D99-R101 PolarHBondContact OD2-NE 3.43Å; D99-R101 IonicContact OD2-NH2 2.73Å; D99-R101 PolarHBondContact OD2-NH2 2.97Å; R101-H104 PolarHBondContact O-CE1 2.97Å; R101-H104 VanDerWaalsContact O-CE1 3.28Å |
| 102 | F | 89.2 | Confident | 92.1 | Very high | 152 Ų | 152 | 123.8 Ų | 123.8 | 67% | 0.667 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.5 | -21.9 | -176.4 | -58.4 | -66.5 | 0 | 0 | 0 | 112.7 | D99 P100 | D99-F102 HydrophobicContact CB-CD2 4.37Å; D99-F102 PolarHBondContact O-N 3.35Å; D99-F102 VanDerWaalsContact OD2-CD2 3.32Å; D99-F102 WeakPolarHBondContact OD2-CD2 3.46Å; D99-F102 WeakPolarHBondContact OD2-CE2 3.37Å; P100-F102 VanDerWaalsContact C-N 3.31Å |
| 103 | Y | 92.2 | Very high | 92.5 | Very high | 89 Ų | 89 | 120.6 Ų | 120.6 | 35% | 0.349 | 60% | 0.6 | S | S | . | * | trans | -109.3 | 106.3 | -176.7 | -172.3 | -115.1 | 0 | 0 | 0 | 112.8 | R97 D99 P105 | R97-Y103 HydrophobicContact CB-CD1 4.09Å; R97-Y103 HydrophobicContact CB-CD2 4.31Å; R97-Y103 HydrophobicContact CB-CE1 4.08Å; R97-Y103 HydrophobicContact CB-CE2 4.32Å; R97-Y103 HydrophobicContact CB-CG 4.2Å; R97-Y103 HydrophobicContact CG-CD2 4.09Å; R97-Y103 HydrophobicContact CG-CE2 3.94Å; R97-Y103 HydrophobicContact CG-CG 4.47Å; R97-Y103 WeakPolarHBondContact O-CD1 3Å; D99-Y103 WeakPolarHBondContact O-CB 3.37Å; D99-Y103 PolarHBondContact O-N 3.14Å; Y103-P105 HydrophobicContact CD1-CG 4.04Å; Y103-P105 HydrophobicContact CE1-CB 4.15Å; Y103-P105 HydrophobicContact CE1-CG 3.52Å; Y103-P105 WeakPolarHBondContact O-CD 3.37Å | ||
| 104 | H | 92.6 | Very high | 92.9 | Very high | 145 Ų | 145 | 119.6 Ų | 119.6 | 67% | 0.671 | 59% | 0.592 | S | S | * | * | trans | -123.4 | 69 | -178.1 | -55.4 | 89.8 | 0 | 0 | 0 | 111.7 | P100 R101 | P100-H104 PolarHBondContact O-CE1 3.26Å; P100-H104 PolarHBondContact O-NE2 2.78Å; P100-H104 VanDerWaalsContact O-NE2 3.14Å; R101-H104 PolarHBondContact O-CE1 2.97Å; R101-H104 VanDerWaalsContact O-CE1 3.28Å | ||
| 105 | P | 94.2 | Very high | 93.3 | Very high | 61 Ų | 61 | 115.4 Ų | 115.4 | 40% | 0.396 | 57% | 0.573 | S | S | . | * | trans | -65.6 | 155.2 | 178.1 | 30.8 | -36.4 | 0 | 0 | 0 | 110.6 | Y103 V107 | Y103-P105 HydrophobicContact CD1-CG 4.04Å; Y103-P105 HydrophobicContact CE1-CB 4.15Å; Y103-P105 HydrophobicContact CE1-CG 3.52Å; Y103-P105 WeakPolarHBondContact O-CD 3.37Å; P105-V107 HydrophobicContact CG-CG2 4.15Å; P105-V107 PolarHBondContact O-N 2.69Å | ||
| 106 | K | 92.9 | Very high | 93.8 | Very high | 216 Ų | 216 | 113.5 Ų | 113.5 | 94% | 0.939 | 57% | 0.565 | S | S | * | * | trans | -69.2 | 116.6 | 167.7 | -62.8 | -61.2 | -174.5 | -177.6 | 0 | 108.3 | ||||
| 107 | V | 92.8 | Very high | 94.1 | Very high | 124 Ų | 124 | 112.1 Ų | 112.1 | 75% | 0.752 | 57% | 0.565 | S | S | * | * | trans | -111 | 131.9 | 177.2 | -176 | 0 | 0 | 0 | 0 | 108.6 | P105 | P105-V107 HydrophobicContact CG-CG2 4.15Å; P105-V107 PolarHBondContact O-N 2.69Å | ||
| 108 | A | 95.1 | Very high | 94.3 | Very high | 56 Ų | 56 | 109 Ų | 109 | 46% | 0.463 | 55% | 0.554 | S | S | . | * | trans | -80.4 | 120 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110 | T112 Q113 | A108-T112 VanDerWaalsContact CA-OG1 3.29Å; A108-T112 WeakPolarHBondContact CA-OG1 3.35Å; A108-Q113 HydrophobicContact CB-CG 3.76Å; A108-Q113 PolarHBondContact O-NE2 3.04Å; A108-Q113 VanDerWaalsContact O-NE2 3.08Å | ||
| 109 | C | 95.3 | Very high | 94.5 | Very high | 73 Ų | 73 | 110.8 Ų | 110.8 | 49% | 0.493 | 55% | 0.548 | S | S | . | . | trans | -82.2 | 166.6 | 167.1 | 70.5 | 0 | 0 | 0 | 0 | 111.1 | M111 T112 Q113 | C109-M111 PolarHBondContact O-N 3.41Å; C109-M111 VanDerWaalsContact O-N 3.17Å; C109-T112 PolarHBondContact N-OG1 3.42Å; C109-T112 PolarHBondContact O-N 3.41Å; C109-T112 PolarHBondContact O-OG1 3.02Å; C109-Q113 WeakPolarHBondContact O-CG 3.02Å; C109-Q113 PolarHBondContact O-N 2.85Å | ||
| 110 | E | 97.3 | Very high | 94.6 | Very high | 171 Ų | 171 | 114.8 Ų | 114.8 | 80% | 0.799 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -50.3 | -43.3 | -179.7 | -63 | 177.9 | 174.3 | 0 | 0 | 112.6 | T112 Q113 F114 | E110-T112 PolarHBondContact O-N 3.37Å; E110-Q113 PolarHBondContact O-N 3.22Å; E110-F114 WeakPolarHBondContact O-CB 3.47Å; E110-F114 PolarHBondContact O-N 3.25Å |
| 111 | M | 96.5 | Very high | 94.9 | Very high | 121 Ų | 121 | 114.4 Ų | 114.4 | 60% | 0.596 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.3 | -44.5 | 178 | -171.1 | 62.3 | 69.3 | 0 | 0 | 112 | C109 F114 M115 | C109-M111 PolarHBondContact O-N 3.41Å; C109-M111 VanDerWaalsContact O-N 3.17Å; M111-F114 PolarHBondContact O-N 2.98Å; M111-M115 WeakPolarHBondContact O-CB 3.45Å; M111-M115 WeakPolarHBondContact O-CG 3.48Å; M111-M115 PolarHBondContact O-N 2.89Å; M111-M115 HydrophobicContact SD-CE 4.28Å |
| 112 | T | 96.4 | Very high | 95.1 | Very high | 71 Ų | 71 | 107.7 Ų | 107.7 | 44% | 0.436 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.8 | -36.2 | 178.3 | 54.1 | 0 | 0 | 0 | 0 | 112.3 | A108 C109 E110 M115 D116 | A108-T112 VanDerWaalsContact CA-OG1 3.29Å; A108-T112 WeakPolarHBondContact CA-OG1 3.35Å; C109-T112 PolarHBondContact N-OG1 3.42Å; C109-T112 PolarHBondContact O-N 3.41Å; C109-T112 PolarHBondContact O-OG1 3.02Å; E110-T112 PolarHBondContact O-N 3.37Å; T112-M115 PolarHBondContact O-N 3.06Å; T112-D116 WeakPolarHBondContact O-CB 3.42Å; T112-D116 PolarHBondContact O-N 3.38Å |
| 113 | Q | 97.3 | Very high | 95.3 | Very high | 112 Ų | 112 | 103.3 Ų | 103.3 | 52% | 0.523 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.2 | -43.1 | 175.6 | -65.1 | 177.5 | 29.5 | 0 | 0 | 111.2 | A108 C109 E110 D116 A117 | A108-Q113 HydrophobicContact CB-CG 3.76Å; A108-Q113 PolarHBondContact O-NE2 3.04Å; A108-Q113 VanDerWaalsContact O-NE2 3.08Å; C109-Q113 WeakPolarHBondContact O-CG 3.02Å; C109-Q113 PolarHBondContact O-N 2.85Å; E110-Q113 PolarHBondContact O-N 3.22Å; Q113-D116 PolarHBondContact O-N 3.42Å; Q113-A117 PolarHBondContact O-N 3.49Å |
| 114 | F | 97.1 | Very high | 95.3 | Very high | 127 Ų | 127 | 104.5 Ų | 104.5 | 56% | 0.557 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60 | -47.6 | 174.9 | 175.2 | -95.4 | 0 | 0 | 0 | 111.5 | E110 M111 D116 A117 Y118 | E110-F114 WeakPolarHBondContact O-CB 3.47Å; E110-F114 PolarHBondContact O-N 3.25Å; M111-F114 PolarHBondContact O-N 2.98Å; F114-D116 PolarHBondContact O-N 2.87Å; F114-A117 PolarHBondContact O-N 2.95Å; F114-Y118 WeakPolarHBondContact O-CB 3.29Å; F114-Y118 PolarHBondContact O-N 3.02Å |
| 115 | M | 97.1 | Very high | 95.3 | Very high | 101 Ų | 101 | 105.5 Ų | 105.5 | 50% | 0.498 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.3 | -36.6 | 179.3 | -72 | -62.8 | -178.3 | 0 | 0 | 112.6 | M111 T112 Y118 W119 | M111-M115 WeakPolarHBondContact O-CB 3.45Å; M111-M115 WeakPolarHBondContact O-CG 3.48Å; M111-M115 PolarHBondContact O-N 2.89Å; M111-M115 HydrophobicContact SD-CE 4.28Å; T112-M115 PolarHBondContact O-N 3.06Å; M115-Y118 PolarHBondContact O-N 3.47Å; M115-W119 WeakPolarHBondContact O-CB 3.43Å; M115-W119 PolarHBondContact O-N 3.3Å |
| 116 | D | 96.6 | Very high | 95.2 | Very high | 78 Ų | 78 | 108.7 Ų | 108.7 | 42% | 0.417 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.8 | -45.6 | 172.8 | -179.6 | 50 | 0 | 0 | 0 | 111.6 | T112 Q113 F114 W119 K120 | T112-D116 WeakPolarHBondContact O-CB 3.42Å; T112-D116 PolarHBondContact O-N 3.38Å; Q113-D116 PolarHBondContact O-N 3.42Å; F114-D116 PolarHBondContact O-N 2.87Å; D116-W119 PolarHBondContact O-N 3.32Å; D116-K120 WeakPolarHBondContact O-CG 3.49Å; D116-K120 PolarHBondContact O-N 2.95Å; D116-K120 WeakPolarHBondContact OD1-CE 3.32Å; D116-K120 IonicContact OD1-NZ 3.71Å; D116-K120 WeakPolarHBondContact OD2-CE 3.2Å; D116-K120 IonicContact OD2-NZ 3.98Å; D116-K120 PolarHBondContact OD2-NZ 3Å |
| 117 | A | 96.6 | Very high | 95 | Very high | 56 Ų | 56 | 105.3 Ų | 105.3 | 46% | 0.463 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.7 | -42.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q113 F114 K120 L121 | Q113-A117 PolarHBondContact O-N 3.49Å; F114-A117 PolarHBondContact O-N 2.95Å; A117-K120 PolarHBondContact O-N 3.38Å; A117-L121 PolarHBondContact O-N 3.22Å |
| 118 | Y | 96.8 | Very high | 94.6 | Very high | 119 Ų | 119 | 106.2 Ų | 106.2 | 47% | 0.467 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.8 | -44 | 176.8 | 178.2 | -101.5 | 0 | 0 | 0 | 111.8 | F114 M115 L121 N122 | F114-Y118 WeakPolarHBondContact O-CB 3.29Å; F114-Y118 PolarHBondContact O-N 3.02Å; M115-Y118 PolarHBondContact O-N 3.47Å; Y118-L121 PolarHBondContact O-N 2.85Å; Y118-N122 WeakPolarHBondContact CE1-ND2 3.33Å; Y118-N122 PolarHBondContact O-N 3.27Å; Y118-N122 PolarHBondContact OH-ND2 2.7Å |
| 119 | W | 95.7 | Very high | 93.7 | Very high | 156 Ų | 156 | 110.5 Ų | 110.5 | 59% | 0.591 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.6 | -46.9 | 177.2 | -176.9 | 82.8 | 0 | 0 | 0 | 111.6 | M115 D116 L121 N122 E123 | M115-W119 WeakPolarHBondContact O-CB 3.43Å; M115-W119 PolarHBondContact O-N 3.3Å; D116-W119 PolarHBondContact O-N 3.32Å; W119-L121 VanDerWaalsContact C-N 3.32Å; W119-L121 PolarHBondContact O-N 3.1Å; W119-N122 PolarHBondContact O-N 3.28Å; W119-N122 VanDerWaalsContact O-N 3.14Å; W119-E123 HydrophobicContact CD2-CG 3.99Å; W119-E123 HydrophobicContact CE3-CG 4.34Å; W119-E123 HydrophobicContact CH2-CG 4Å; W119-E123 HydrophobicContact CZ2-CG 3.62Å; W119-E123 HydrophobicContact CZ3-CG 4.34Å; W119-E123 PolarHBondContact O-N 3.08Å |
| 120 | K | 95.2 | Very high | 93.6 | Very high | 103 Ų | 103 | 112.4 Ų | 112.4 | 45% | 0.448 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -56 | -44.2 | 175.7 | -75.3 | 168.9 | 178.5 | 162.7 | 0 | 112.4 | D116 A117 Q124 | D116-K120 WeakPolarHBondContact O-CG 3.49Å; D116-K120 PolarHBondContact O-N 2.95Å; D116-K120 WeakPolarHBondContact OD1-CE 3.32Å; D116-K120 IonicContact OD1-NZ 3.71Å; D116-K120 WeakPolarHBondContact OD2-CE 3.2Å; D116-K120 IonicContact OD2-NZ 3.98Å; D116-K120 PolarHBondContact OD2-NZ 3Å; A117-K120 PolarHBondContact O-N 3.38Å; K120-Q124 VanDerWaalsContact O-CG 3.31Å; K120-Q124 WeakPolarHBondContact O-CG 3.39Å; K120-Q124 PolarHBondContact O-N 3.22Å; K120-Q124 VanDerWaalsContact O-N 3.11Å |
| 121 | L | 95.5 | Very high | 93.4 | Very high | 90 Ų | 90 | 109.3 Ų | 109.3 | 47% | 0.471 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.8 | -43 | 177.1 | -179.6 | 65.3 | 0 | 0 | 0 | 111.8 | A117 Y118 W119 Q124 R125 | A117-L121 PolarHBondContact O-N 3.22Å; Y118-L121 PolarHBondContact O-N 2.85Å; W119-L121 VanDerWaalsContact C-N 3.32Å; W119-L121 PolarHBondContact O-N 3.1Å; L121-Q124 PolarHBondContact O-N 3.41Å; L121-R125 WeakPolarHBondContact O-CG 3.4Å; L121-R125 PolarHBondContact O-N 3.09Å |
| 122 | N | 94.7 | Very high | 93.3 | Very high | 40 Ų | 40 | 108.6 Ų | 108.6 | 21% | 0.214 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -65.3 | -41.3 | 179.5 | -82.6 | -12.4 | 0 | 0 | 0 | 112.7 | Y118 W119 R125 K126 | Y118-N122 WeakPolarHBondContact CE1-ND2 3.33Å; Y118-N122 PolarHBondContact O-N 3.27Å; Y118-N122 PolarHBondContact OH-ND2 2.7Å; W119-N122 PolarHBondContact O-N 3.28Å; W119-N122 VanDerWaalsContact O-N 3.14Å; N122-R125 PolarHBondContact O-N 3.32Å; N122-K126 WeakPolarHBondContact O-CG 3.25Å; N122-K126 PolarHBondContact O-N 3.14Å |
| 123 | E | 94.2 | Very high | 93.1 | Very high | 60 Ų | 60 | 110.8 Ų | 110.8 | 28% | 0.28 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.8 | -40.9 | 176.4 | -67.6 | -56.1 | 118.1 | 0 | 0 | 111.6 | W119 R125 K126 L127 | W119-E123 HydrophobicContact CD2-CG 3.99Å; W119-E123 HydrophobicContact CE3-CG 4.34Å; W119-E123 HydrophobicContact CH2-CG 4Å; W119-E123 HydrophobicContact CZ2-CG 3.62Å; W119-E123 HydrophobicContact CZ3-CG 4.34Å; W119-E123 PolarHBondContact O-N 3.08Å; E123-R125 VanDerWaalsContact C-N 3.3Å; E123-R125 PolarHBondContact O-N 3.48Å; E123-K126 PolarHBondContact O-N 2.97Å; E123-K126 IonicContact OE1-NZ 3.69Å; E123-K126 PolarHBondContact OE1-NZ 2.66Å; E123-L127 WeakPolarHBondContact O-CG 3.49Å; E123-L127 PolarHBondContact O-N 3.17Å |
| 124 | Q | 92.5 | Very high | 92.8 | Very high | 114 Ų | 114 | 110.8 Ų | 110.8 | 53% | 0.533 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60 | -40.5 | 172.1 | -72.6 | 175.1 | 4.2 | 0 | 0 | 112.1 | K120 L121 L127 N128 | K120-Q124 VanDerWaalsContact O-CG 3.31Å; K120-Q124 WeakPolarHBondContact O-CG 3.39Å; K120-Q124 PolarHBondContact O-N 3.22Å; K120-Q124 VanDerWaalsContact O-N 3.11Å; L121-Q124 PolarHBondContact O-N 3.41Å; Q124-L127 PolarHBondContact O-N 2.99Å; Q124-N128 WeakPolarHBondContact O-CB 3.22Å; Q124-N128 VanDerWaalsContact O-CG 3.24Å; Q124-N128 PolarHBondContact O-N 2.93Å; Q124-N128 VanDerWaalsContact O-N 3.11Å; Q124-N128 PolarHBondContact O-ND2 2.92Å |
| 125 | R | 91.3 | Very high | 92.5 | Very high | 167 Ų | 167 | 109.7 Ų | 109.7 | 63% | 0.63 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.8 | -40.5 | 176.2 | -74.6 | 176.3 | 70.2 | 176.2 | 4 | 112.5 | L121 N122 E123 N128 S129 | L121-R125 WeakPolarHBondContact O-CG 3.4Å; L121-R125 PolarHBondContact O-N 3.09Å; N122-R125 PolarHBondContact O-N 3.32Å; E123-R125 VanDerWaalsContact C-N 3.3Å; E123-R125 PolarHBondContact O-N 3.48Å; R125-N128 PolarHBondContact O-N 2.84Å; R125-S129 PolarHBondContact O-N 2.65Å |
| 126 | K | 91.5 | Very high | 92.2 | Very high | 127 Ų | 127 | 110.3 Ų | 110.3 | 55% | 0.552 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.7 | -35.3 | 176.1 | -70.8 | 175 | -173.8 | 167.9 | 0 | 112.9 | N122 E123 N128 S129 | N122-K126 WeakPolarHBondContact O-CG 3.25Å; N122-K126 PolarHBondContact O-N 3.14Å; E123-K126 PolarHBondContact O-N 2.97Å; E123-K126 IonicContact OE1-NZ 3.69Å; E123-K126 PolarHBondContact OE1-NZ 2.66Å; K126-N128 VanDerWaalsContact C-N 3.32Å; K126-S129 PolarHBondContact O-OG 3.11Å |
| 127 | L | 90.1 | Very high | 91.9 | Very high | 145 Ų | 145 | 112.8 Ų | 112.8 | 76% | 0.759 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -72.1 | -28.2 | 176.9 | -71.6 | 170.7 | 0 | 0 | 0 | 112.6 | E123 Q124 | E123-L127 WeakPolarHBondContact O-CG 3.49Å; E123-L127 PolarHBondContact O-N 3.17Å; Q124-L127 PolarHBondContact O-N 2.99Å |
| 128 | N | 84.5 | Confident | 91.5 | Very high | 143 Ų | 143 | 117.5 Ų | 117.5 | 77% | 0.765 | 56% | 0.561 | S | S | * | * | trans | -90.8 | -4.5 | -179.7 | -68.4 | -24.1 | 0 | 0 | 0 | 114 | Q124 R125 K126 | Q124-N128 WeakPolarHBondContact O-CB 3.22Å; Q124-N128 VanDerWaalsContact O-CG 3.24Å; Q124-N128 PolarHBondContact O-N 2.93Å; Q124-N128 VanDerWaalsContact O-N 3.11Å; Q124-N128 PolarHBondContact O-ND2 2.92Å; R125-N128 PolarHBondContact O-N 2.84Å; K126-N128 VanDerWaalsContact C-N 3.32Å | ||
| 129 | S | 75.6 | Confident | 91 | Very high | 146 Ų | 146 | 117.4 Ų | 117.4 | 100% | 1.021 | 57% | 0.569 | S | S | * | * | trans | -97.9 | 0 | 176.6 | 65.2 | 0 | 0 | 0 | 0 | 111.6 | R125 K126 | R125-S129 PolarHBondContact O-N 2.65Å; K126-S129 PolarHBondContact O-OG 3.11Å |
Retrieved 129 of 129 residues in 26.5 ms
(Link to these results)