| 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 | 41.5 | Very low | 43.1 | Very low | 244 Ų | 244 | 130.6 Ų | 130.6 | 100% | 1.202 | 84% | 0.842 | S | S | * | * | 0 | 80.4 | 0 | -54.5 | -66.2 | 174.4 | 0 | 0 | 107.1 | |||||
| 2 | S | 43 | Very low | 43.4 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 83% | 0.825 | 85% | 0.85 | S | S | * | * | trans | -84.7 | 135.8 | 174.9 | -49.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 3 | L | 41.3 | Very low | 44.1 | Very low | 176 Ų | 176 | 129.2 Ų | 129.2 | 92% | 0.921 | 84% | 0.835 | S | S | * | * | trans | -144.8 | 99.6 | 156.7 | -99.8 | 147.7 | 0 | 0 | 0 | 106.7 | ||||
| 4 | Q | 48.8 | Very low | 44.5 | Very low | 177 Ų | 177 | 125.1 Ų | 125.1 | 83% | 0.827 | 81% | 0.809 | S | S | * | * | trans | -60.5 | 139.2 | 160.2 | -76.6 | 165.4 | -77.1 | 0 | 0 | 108.4 | ||||
| 5 | S | 33.1 | Very low | 45.6 | Very low | 114 Ų | 114 | 122.1 Ų | 122.1 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -128.8 | 92.8 | 149.9 | -161.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 6 | S | 45.2 | Very low | 46.6 | Very low | 96 Ų | 96 | 118.1 Ų | 118.1 | 67% | 0.671 | 78% | 0.781 | S | S | * | * | trans | -59.4 | 127.2 | 164.2 | -57.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 7 | C | 43.3 | Very low | 48 | Very low | 122 Ų | 122 | 115.4 Ų | 115.4 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | trans | -117.5 | 88.4 | 154.6 | -78.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 8 | A | 45.8 | Very low | 49.2 | Very low | 99 Ų | 99 | 113.9 Ų | 113.9 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | -83.1 | 108.4 | 151.1 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 9 | A | 41.8 | Very low | 50.4 | Low | 94 Ų | 94 | 111.7 Ų | 111.7 | 78% | 0.777 | 73% | 0.734 | S | S | * | * | trans | -122.9 | 85.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | G11 | A9-G11 PolarHBondContact O-N 3.45Š| ||
| 10 | S | 47.4 | Very low | 51.8 | Low | 129 Ų | 129 | 109.2 Ų | 109.2 | 90% | 0.902 | 72% | 0.722 | S | S | * | * | trans | -74.5 | 105.4 | 158.8 | -47.8 | 0 | 0 | 0 | 0 | 107 | ||||
| 11 | G | 43.5 | Very low | 53.2 | Low | 68 Ų | 68 | 108.2 Ų | 108.2 | 70% | 0.701 | 71% | 0.71 | S | S | * | * | S | Bend | trans | 154.3 | 105.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | A9 | A9-G11 PolarHBondContact O-N 3.45Š|
| 12 | L | 45.9 | Very low | 55 | Low | 178 Ų | 178 | 101.6 Ų | 101.6 | 93% | 0.932 | 68% | 0.679 | S | S | * | * | trans | 67 | 60.5 | 158.8 | -133.1 | 74.8 | 0 | 0 | 0 | 117.3 | ||||
| 13 | G | 52.7 | Low | 56.7 | Low | 64 Ų | 64 | 98.4 Ų | 98.4 | 66% | 0.66 | 66% | 0.66 | S | S | * | * | trans | -68.2 | 138.4 | 160.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | S15 | G13-S15 PolarHBondContact O-N 3.24Š| ||
| 14 | P | 49.3 | Very low | 58.5 | Low | 73 Ų | 73 | 94.9 Ų | 94.9 | 47% | 0.474 | 64% | 0.642 | S | S | . | * | trans | -54.6 | 131.3 | 171.4 | 23.8 | -30.8 | 0 | 0 | 0 | 107.9 | G16 L18 | P14-G16 PolarHBondContact O-N 3.42Å; P14-L18 HydrophobicContact CB-CB 3.91Å; P14-L18 HydrophobicContact CB-CD1 3.49Å; P14-L18 VanDerWaalsContact CB-CD1 3.49Å; P14-L18 HydrophobicContact CB-CG 4.33Å | ||
| 15 | S | 60.9 | Low | 59.9 | Low | 80 Ų | 80 | 91.9 Ų | 91.9 | 56% | 0.559 | 63% | 0.63 | S | S | * | * | trans | -23.7 | 127.5 | 178.4 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | G13 S17 L18 | G13-S15 PolarHBondContact O-N 3.24Å; S15-S17 CarbonylContact O-C 3.46Å; S15-S17 WeakPolarHBondContact O-CA 3.38Å; S15-S17 PolarHBondContact O-N 3.19Å; S15-L18 WeakPolarHBondContact O-CB 3.42Å; S15-L18 PolarHBondContact O-N 3.31Å | ||
| 16 | G | 62.8 | Low | 61.9 | Low | 58 Ų | 58 | 92.3 Ų | 92.3 | 60% | 0.598 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -48.5 | -22 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | P14 C19 A20 | P14-G16 PolarHBondContact O-N 3.42Å; G16-C19 PolarHBondContact O-N 3.48Å; G16-A20 WeakPolarHBondContact O-CB 3.29Å; G16-A20 PolarHBondContact O-N 3.33Å |
| 17 | S | 69.6 | Low | 63.2 | Low | 72 Ų | 72 | 94.7 Ų | 94.7 | 50% | 0.503 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -53.7 | -47.6 | 165.3 | -175.5 | 0 | 0 | 0 | 0 | 114.5 | S15 A20 L21 | S15-S17 CarbonylContact O-C 3.46Å; S15-S17 WeakPolarHBondContact O-CA 3.38Å; S15-S17 PolarHBondContact O-N 3.19Å; S17-A20 PolarHBondContact O-N 3.32Å; S17-L21 WeakPolarHBondContact O-CB 3.41Å; S17-L21 WeakPolarHBondContact O-CD1 3.43Å; S17-L21 PolarHBondContact O-N 3.08Å |
| 18 | L | 69.7 | Low | 64.7 | Low | 88 Ų | 88 | 95 Ų | 95 | 46% | 0.461 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -66.3 | -39.6 | 178.4 | -68.5 | 166.9 | 0 | 0 | 0 | 112.1 | P14 S15 L21 L22 | P14-L18 HydrophobicContact CB-CB 3.91Å; P14-L18 HydrophobicContact CB-CD1 3.49Å; P14-L18 VanDerWaalsContact CB-CD1 3.49Å; P14-L18 HydrophobicContact CB-CG 4.33Å; S15-L18 WeakPolarHBondContact O-CB 3.42Å; S15-L18 PolarHBondContact O-N 3.31Å; L18-L21 PolarHBondContact O-N 3.25Å; L18-L22 WeakPolarHBondContact O-CB 3.36Å; L18-L22 WeakPolarHBondContact O-CD1 3.44Å; L18-L22 WeakPolarHBondContact O-CG 3.26Å; L18-L22 PolarHBondContact O-N 3.45Å |
| 19 | C | 71.6 | Confident | 65.9 | Low | 72 Ų | 72 | 94.7 Ų | 94.7 | 49% | 0.486 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -65.9 | -41.2 | 173 | -77.3 | 0 | 0 | 0 | 0 | 111.8 | G16 L22 A23 | G16-C19 PolarHBondContact O-N 3.48Å; C19-L22 PolarHBondContact O-N 3.17Å; C19-A23 WeakPolarHBondContact O-CB 3.32Å; C19-A23 PolarHBondContact O-N 3.28Å |
| 20 | A | 79.3 | Confident | 67 | Low | 61 Ų | 61 | 95.5 Ų | 95.5 | 50% | 0.504 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65.3 | -40.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | G16 S17 A23 L24 | G16-A20 WeakPolarHBondContact O-CB 3.29Å; G16-A20 PolarHBondContact O-N 3.33Å; S17-A20 PolarHBondContact O-N 3.32Å; A20-A23 PolarHBondContact O-N 3.02Å; A20-L24 WeakPolarHBondContact O-CB 3.41Å; A20-L24 PolarHBondContact O-N 3.05Å |
| 21 | L | 80.3 | Confident | 67.8 | Low | 90 Ų | 90 | 95.8 Ų | 95.8 | 47% | 0.471 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -62.1 | -46 | 174.3 | -91.8 | 151.2 | 0 | 0 | 0 | 112 | S17 L18 L24 L25 | S17-L21 WeakPolarHBondContact O-CB 3.41Å; S17-L21 WeakPolarHBondContact O-CD1 3.43Å; S17-L21 PolarHBondContact O-N 3.08Å; L18-L21 PolarHBondContact O-N 3.25Å; L21-L24 PolarHBondContact O-N 3.4Å; L21-L25 WeakPolarHBondContact O-CD1 3.32Å; L21-L25 WeakPolarHBondContact O-CG 3.18Å; L21-L25 PolarHBondContact O-N 2.59Å |
| 22 | L | 79.6 | Confident | 68.8 | Low | 104 Ų | 104 | 94.9 Ų | 94.9 | 55% | 0.545 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -59.9 | -45.4 | 175.5 | -83.3 | 159.6 | 0 | 0 | 0 | 111.6 | L18 C19 L24 L25 L26 | L18-L22 WeakPolarHBondContact O-CB 3.36Å; L18-L22 WeakPolarHBondContact O-CD1 3.44Å; L18-L22 WeakPolarHBondContact O-CG 3.26Å; L18-L22 PolarHBondContact O-N 3.45Å; C19-L22 PolarHBondContact O-N 3.17Å; L22-L24 VanDerWaalsContact C-N 3.34Å; L22-L24 PolarHBondContact O-N 3Å; L22-L25 PolarHBondContact O-N 3.36Å; L22-L26 WeakPolarHBondContact O-CD1 3.43Å; L22-L26 PolarHBondContact O-N 3.36Å; L22-L26 VanDerWaalsContact O-N 3.11Å |
| 23 | A | 79.5 | Confident | 69.7 | Low | 52 Ų | 52 | 91.9 Ų | 91.9 | 43% | 0.43 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63 | -39.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | C19 A20 L26 L27 | C19-A23 WeakPolarHBondContact O-CB 3.32Å; C19-A23 PolarHBondContact O-N 3.28Å; A20-A23 PolarHBondContact O-N 3.02Å; A23-L26 PolarHBondContact O-N 2.89Å; A23-L27 WeakPolarHBondContact O-CG 3.24Å; A23-L27 PolarHBondContact O-N 3.16Å |
| 24 | L | 78.4 | Confident | 70.1 | Confident | 102 Ų | 102 | 97.1 Ų | 97.1 | 53% | 0.534 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -66.1 | -43.5 | 176.3 | -170.4 | 63.5 | 0 | 0 | 0 | 111.5 | A20 L21 L22 L26 L27 L28 | A20-L24 WeakPolarHBondContact O-CB 3.41Å; A20-L24 PolarHBondContact O-N 3.05Å; L21-L24 PolarHBondContact O-N 3.4Å; L22-L24 VanDerWaalsContact C-N 3.34Å; L22-L24 PolarHBondContact O-N 3Å; L24-L26 VanDerWaalsContact C-N 3.31Å; L24-L26 PolarHBondContact O-N 2.97Å; L24-L27 PolarHBondContact O-N 3.06Å; L24-L27 VanDerWaalsContact O-N 3.13Å; L24-L28 HydrophobicContact CD1-CD1 3.95Å; L24-L28 HydrophobicContact CG-CD1 3.84Å; L24-L28 WeakPolarHBondContact O-CD1 2.92Å; L24-L28 PolarHBondContact O-N 3.38Å; L24-L28 VanDerWaalsContact O-N 3.17Å |
| 25 | L | 78.4 | Confident | 70.8 | Confident | 113 Ų | 113 | 99.2 Ų | 99.2 | 59% | 0.592 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -59.6 | -39.9 | 177 | -78.4 | 154.1 | 0 | 0 | 0 | 112.4 | L21 L22 L27 L28 T29 | L21-L25 WeakPolarHBondContact O-CD1 3.32Å; L21-L25 WeakPolarHBondContact O-CG 3.18Å; L21-L25 PolarHBondContact O-N 2.59Å; L22-L25 PolarHBondContact O-N 3.36Å; L25-L27 VanDerWaalsContact C-N 3.33Å; L25-L27 PolarHBondContact O-N 3.39Å; L25-L28 PolarHBondContact O-N 3.08Å; L25-T29 PolarHBondContact O-N 3.21Å; L25-T29 PolarHBondContact O-OG1 3.47Å |
| 26 | L | 74.1 | Confident | 71 | Confident | 124 Ų | 124 | 100.6 Ų | 100.6 | 65% | 0.649 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -64.9 | -33.2 | 175.6 | -83.5 | 149 | 0 | 0 | 0 | 113.1 | L22 A23 L24 T29 | L22-L26 WeakPolarHBondContact O-CD1 3.43Å; L22-L26 PolarHBondContact O-N 3.36Å; L22-L26 VanDerWaalsContact O-N 3.11Å; A23-L26 PolarHBondContact O-N 2.89Å; L24-L26 VanDerWaalsContact C-N 3.31Å; L24-L26 PolarHBondContact O-N 2.97Å; L26-T29 PolarHBondContact O-OG1 3.05Å |
| 27 | L | 72.6 | Confident | 71.1 | Confident | 145 Ų | 145 | 102.2 Ų | 102.2 | 76% | 0.759 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -74.6 | -27.6 | 176.8 | -71.4 | 165.3 | 0 | 0 | 0 | 112.8 | A23 L24 L25 | A23-L27 WeakPolarHBondContact O-CG 3.24Å; A23-L27 PolarHBondContact O-N 3.16Å; L24-L27 PolarHBondContact O-N 3.06Å; L24-L27 VanDerWaalsContact O-N 3.13Å; L25-L27 VanDerWaalsContact C-N 3.33Å; L25-L27 PolarHBondContact O-N 3.39Å |
| 28 | L | 75 | Confident | 71 | Confident | 130 Ų | 130 | 100.7 Ų | 100.7 | 68% | 0.681 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -80.7 | -15.5 | 177.7 | -85.9 | 89.8 | 0 | 0 | 0 | 113.6 | L24 L25 P30 | L24-L28 HydrophobicContact CD1-CD1 3.95Å; L24-L28 HydrophobicContact CG-CD1 3.84Å; L24-L28 WeakPolarHBondContact O-CD1 2.92Å; L24-L28 PolarHBondContact O-N 3.38Å; L24-L28 VanDerWaalsContact O-N 3.17Å; L25-L28 PolarHBondContact O-N 3.08Å; L28-P30 WeakPolarHBondContact O-CD 3.26Å |
| 29 | T | 71.3 | Confident | 70.7 | Confident | 92 Ų | 92 | 102.3 Ų | 102.3 | 56% | 0.564 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -88.2 | 105.5 | 173.5 | 41.7 | 0 | 0 | 0 | 0 | 110.5 | L25 L26 | L25-T29 PolarHBondContact O-N 3.21Å; L25-T29 PolarHBondContact O-OG1 3.47Å; L26-T29 PolarHBondContact O-OG1 3.05Å |
| 30 | P | 64.9 | Low | 70.2 | Confident | 111 Ų | 111 | 105.7 Ų | 105.7 | 72% | 0.721 | 66% | 0.656 | S | S | * | * | trans | -61.5 | 140.5 | 172.1 | 24.3 | -31.6 | 0 | 0 | 0 | 109.2 | L28 G32 | L28-P30 WeakPolarHBondContact O-CD 3.26Å; P30-G32 PolarHBondContact O-N 2.98Å | ||
| 31 | P | 63.5 | Low | 69.2 | Low | 135 Ų | 135 | 107.3 Ų | 107.3 | 88% | 0.877 | 66% | 0.664 | S | S | * | * | trans | -66.6 | 85.3 | 174.5 | 24.8 | -30.4 | 0 | 0 | 0 | 109.3 | ||||
| 32 | G | 66.1 | Low | 68.3 | Low | 49 Ų | 49 | 106.9 Ų | 106.9 | 51% | 0.505 | 67% | 0.674 | S | S | . | * | trans | -74.8 | 137.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | P30 L34 | P30-G32 PolarHBondContact O-N 2.98Å; G32-L34 PolarHBondContact O-N 3.09Å | ||
| 33 | P | 64.8 | Low | 67.5 | Low | 115 Ų | 115 | 106.7 Ų | 106.7 | 75% | 0.747 | 68% | 0.676 | S | S | * | * | trans | -58.4 | 126.4 | 169.7 | 22.4 | -28.7 | 0 | 0 | 0 | 108.2 | V35 | P33-V35 PolarHBondContact O-N 2.88Š| ||
| 34 | L | 60.2 | Low | 66.5 | Low | 173 Ų | 173 | 112 Ų | 112 | 91% | 0.906 | 70% | 0.697 | S | S | * | * | trans | -66.8 | 82.2 | 165.9 | -59.7 | 177.8 | 0 | 0 | 0 | 106.7 | G32 S36 | G32-L34 PolarHBondContact O-N 3.09Å; L34-S36 VanDerWaalsContact C-N 3.3Å; L34-S36 PolarHBondContact O-N 3.12Å | ||
| 35 | V | 64.1 | Low | 65.7 | Low | 117 Ų | 117 | 110.5 Ų | 110.5 | 71% | 0.709 | 69% | 0.692 | S | S | * | * | trans | -65.5 | 102.3 | 166.4 | 166.9 | 0 | 0 | 0 | 0 | 105.1 | P33 A37 | P33-V35 PolarHBondContact O-N 2.88Å; V35-A37 PolarHBondContact O-N 3.05Å | ||
| 36 | S | 64.6 | Low | 64.9 | Low | 110 Ų | 110 | 110.9 Ų | 110.9 | 77% | 0.769 | 69% | 0.691 | S | S | * | * | trans | -65.3 | 89.7 | 164 | -171.3 | 0 | 0 | 0 | 0 | 106.4 | L34 G38 | L34-S36 VanDerWaalsContact C-N 3.3Å; L34-S36 PolarHBondContact O-N 3.12Å; S36-G38 PolarHBondContact O-N 3.09Å | ||
| 37 | A | 64.8 | Low | 65.1 | Low | 92 Ų | 92 | 111.2 Ų | 111.2 | 76% | 0.76 | 69% | 0.693 | S | S | * | * | trans | -70.7 | 70.4 | 158.3 | 0 | 0 | 0 | 0 | 0 | 106.5 | V35 | V35-A37 PolarHBondContact O-N 3.05Š| ||
| 38 | G | 67.9 | Low | 65.7 | Low | 39 Ų | 39 | 112.6 Ų | 112.6 | 40% | 0.402 | 69% | 0.688 | S | S | . | * | trans | -56.5 | 143.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | S36 V40 | S36-G38 PolarHBondContact O-N 3.09Å; G38-V40 PolarHBondContact O-N 3.09Å | ||
| 39 | P | 63.2 | Low | 66.5 | Low | 123 Ų | 123 | 108 Ų | 108 | 80% | 0.799 | 67% | 0.666 | S | S | * | * | trans | -54.7 | 123.6 | 176 | 23.7 | -31 | 0 | 0 | 0 | 107.1 | S41 | P39-S41 PolarHBondContact O-N 3.19Š| ||
| 40 | V | 61.3 | Low | 67.5 | Low | 142 Ų | 142 | 108.6 Ų | 108.6 | 86% | 0.861 | 67% | 0.669 | S | S | * | * | trans | -63.7 | 89.7 | 163.4 | -175 | 0 | 0 | 0 | 0 | 103.5 | G38 A42 | G38-V40 PolarHBondContact O-N 3.09Å; V40-A42 PolarHBondContact O-N 2.79Å | ||
| 41 | S | 58.8 | Low | 68.9 | Low | 95 Ų | 95 | 103.8 Ų | 103.8 | 66% | 0.664 | 64% | 0.638 | S | S | * | * | trans | -65.5 | 93.7 | 173.6 | -156 | 0 | 0 | 0 | 0 | 103.6 | P39 V43 | P39-S41 PolarHBondContact O-N 3.19Å; S41-V43 PolarHBondContact O-N 3.24Å | ||
| 42 | A | 61.8 | Low | 70.3 | Confident | 82 Ų | 82 | 103.9 Ų | 103.9 | 68% | 0.678 | 63% | 0.631 | S | S | * | * | trans | -60.9 | 88.6 | 160.9 | 0 | 0 | 0 | 0 | 0 | 103.3 | V40 L44 | V40-A42 PolarHBondContact O-N 2.79Å; A42-L44 PolarHBondContact O-N 2.92Å | ||
| 43 | V | 61.7 | Low | 71.6 | Confident | 99 Ų | 99 | 109.2 Ų | 109.2 | 60% | 0.6 | 64% | 0.642 | S | S | * | * | trans | -57.3 | 104.3 | 174.1 | -178.4 | 0 | 0 | 0 | 0 | 103.2 | S41 T45 | S41-V43 PolarHBondContact O-N 3.24Å; V43-T45 HydrophobicContact CG1-CG2 3.81Å; V43-T45 PolarHBondContact O-N 3.27Å; V43-T45 PolarHBondContact O-OG1 3.32Å | ||
| 44 | L | 59.7 | Low | 73 | Confident | 165 Ų | 165 | 108.1 Ų | 108.1 | 86% | 0.864 | 63% | 0.626 | S | S | * | * | trans | -68.1 | 66.6 | 164.2 | -79.6 | 159.5 | 0 | 0 | 0 | 105.4 | A42 E46 | A42-L44 PolarHBondContact O-N 2.92Å; L44-E46 PolarHBondContact O-N 3.06Å; L44-E46 VanDerWaalsContact O-N 3.13Å | ||
| 45 | T | 60.7 | Low | 74.6 | Confident | 70 Ų | 70 | 102 Ų | 102 | 43% | 0.429 | 60% | 0.596 | S | S | . | * | trans | -56.8 | 119 | 159.9 | 20.1 | 0 | 0 | 0 | 0 | 103.6 | V43 L47 Q74 | V43-T45 HydrophobicContact CG1-CG2 3.81Å; V43-T45 PolarHBondContact O-N 3.27Å; V43-T45 PolarHBondContact O-OG1 3.32Å; T45-L47 PolarHBondContact O-N 2.84Å; T45-Q74 PolarHBondContact O-NE2 3.49Å; T45-Q74 PolarHBondContact O-OE1 3.16Å; T45-Q74 VanDerWaalsContact O-OE1 3.12Å; T45-Q74 PolarHBondContact OG1-NE2 2.04Å; T45-Q74 PolarHBondContact OG1-OE1 2.95Å; T45-Q74 VanDerWaalsContact OG1-OE1 3.14Å | ||
| 46 | E | 60.7 | Low | 75.8 | Confident | 121 Ų | 121 | 101.8 Ų | 101.8 | 57% | 0.565 | 60% | 0.597 | S | S | * | * | trans | -43.4 | 135.3 | 177.8 | -63.2 | -178.2 | 154.4 | 0 | 0 | 108.3 | L44 R48 Q74 | L44-E46 PolarHBondContact O-N 3.06Å; L44-E46 VanDerWaalsContact O-N 3.13Å; E46-R48 HydrophobicContact CB-CG 4.08Å; E46-R48 PolarHBondContact O-N 2.8Å; E46-R48 IonicContact OE1-NH1 2.67Å; E46-R48 WeakPolarHBondContact OE2-CD 3.4Å; E46-R48 IonicContact OE2-CZ 3.8Å; E46-R48 IonicContact OE2-NE 3.41Å; E46-R48 PolarHBondContact OE2-NE 2.82Å; E46-R48 IonicContact OE2-NH1 3.19Å; E46-R48 PolarHBondContact OE2-NH1 2.93Å; E46-Q74 PolarHBondContact O-OE1 3.44Å | ||
| 47 | L | 78.4 | Confident | 77 | Confident | 131 Ų | 131 | 106 Ų | 106 | 69% | 0.686 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -70.7 | 46.8 | -174 | -52.7 | 162.4 | 0 | 0 | 0 | 111.8 | T45 P73 Q74 | T45-L47 PolarHBondContact O-N 2.84Å; L47-P73 WeakPolarHBondContact CD2-O 3.43Å; L47-Q74 CarbonylContact C-O 3.35Å; L47-Q74 WeakPolarHBondContact CA-O 3.45Å |
| 48 | R | 86.9 | Confident | 78.2 | Confident | 174 Ų | 174 | 102.3 Ų | 102.3 | 66% | 0.657 | 56% | 0.564 | S | S | * | * | trans | -105.3 | 133.1 | -173.9 | -68.5 | -176.2 | 172.2 | 165.1 | -4.9 | 108.8 | E46 Q74 | E46-R48 HydrophobicContact CB-CG 4.08Å; E46-R48 PolarHBondContact O-N 2.8Å; E46-R48 IonicContact OE1-NH1 2.67Å; E46-R48 WeakPolarHBondContact OE2-CD 3.4Å; E46-R48 IonicContact OE2-CZ 3.8Å; E46-R48 IonicContact OE2-NE 3.41Å; E46-R48 PolarHBondContact OE2-NE 2.82Å; E46-R48 IonicContact OE2-NH1 3.19Å; E46-R48 PolarHBondContact OE2-NH1 2.93Å; R48-Q74 CarbonylContact C-O 3.6Å; R48-Q74 PolarHBondContact N-O 3.37Å | ||
| 49 | C | 91.7 | Very high | 79.3 | Confident | 33 Ų | 33 | 104.4 Ų | 104.4 | 22% | 0.223 | 57% | 0.566 | C | S | . | * | trans | -65.7 | 143 | 171 | -59.1 | 0 | 0 | 0 | 0 | 110.3 | C51 C75 E79 | C49-C51 VanDerWaalsContact C-N 3.25Å; C49-C51 PolarHBondContact O-N 2.8Å; C49-C75 HydrophobicContact CB-CB 3.93Å; C49-C75 WeakPolarHBondContact CB-SG 3.11Å; C49-C75 WeakPolarHBondContact SG-CB 3.41Å; C49-C75 CovalentContact SG-SG 2.04Å; C49-C75 PolarHBondContact SG-SG 3.46Å; C49-E79 VanDerWaalsContact CB-OE1 3.32Å; C49-E79 WeakPolarHBondContact CB-OE1 3.26Å | ||
| 50 | T | 92.5 | Very high | 80.6 | Confident | 104 Ų | 104 | 99.9 Ų | 99.9 | 64% | 0.638 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -65.7 | -35 | 176.2 | -49.8 | 0 | 0 | 0 | 0 | 110.8 | E79 I81 | T50-E79 WeakPolarHBondContact CB-OE2 3Å; T50-E79 PolarHBondContact N-OE1 3.38Å; T50-E79 PolarHBondContact N-OE2 2.66Å; T50-E79 VanDerWaalsContact N-OE2 3.14Å; T50-E79 PolarHBondContact OG1-OE2 3.33Å; T50-I81 HydrophobicContact CG2-CD1 4Å |
| 51 | C | 94.1 | Very high | 82 | Confident | 10 Ų | 10 | 101 Ų | 101 | 7% | 0.068 | 53% | 0.53 | C | S | . | . | trans | -94.8 | 108.6 | -177.2 | -66.4 | 0 | 0 | 0 | 0 | 111.3 | C49 F54 E79 C91 | C49-C51 VanDerWaalsContact C-N 3.25Å; C49-C51 PolarHBondContact O-N 2.8Å; C51-F54 HydrophobicContact CB-CE1 4.16Å; C51-F54 HydrophobicContact CB-CZ 4.36Å; C51-E79 VanDerWaalsContact CB-OE1 3.26Å; C51-E79 WeakPolarHBondContact CB-OE1 3.32Å; C51-E79 PolarHBondContact N-OE1 3.17Å; C51-C91 WeakPolarHBondContact CA-SG 3.48Å; C51-C91 HydrophobicContact CB-CB 3.62Å; C51-C91 WeakPolarHBondContact CB-SG 3.46Å; C51-C91 WeakPolarHBondContact SG-CB 3.47Å; C51-C91 CovalentContact SG-SG 2.03Å; C51-C91 PolarHBondContact SG-SG 2.84Å | ||
| 52 | L | 92.5 | Very high | 83.6 | Confident | 138 Ų | 138 | 100.6 Ų | 100.6 | 72% | 0.723 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -95.2 | -24.8 | 170.2 | -57.2 | 179.6 | 0 | 0 | 0 | 112.5 | ||
| 53 | H | 93 | Very high | 85.1 | Confident | 160 Ų | 160 | 97.3 Ų | 97.3 | 74% | 0.741 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -135.1 | 140.3 | -177.8 | -61.5 | -64.3 | 0 | 0 | 0 | 111 | C91 | H53-C91 VanDerWaalsContact O-CB 3.28Å; H53-C91 WeakPolarHBondContact O-CB 3.28Å |
| 54 | F | 94.3 | Very high | 86.6 | Confident | 92 Ų | 92 | 95.1 Ų | 95.1 | 40% | 0.404 | 49% | 0.487 | S | S | . | . | trans | -107.3 | 141.7 | -179.6 | -62.9 | -78.8 | 0 | 0 | 0 | 111.6 | C51 C91 L92 D93 | C51-F54 HydrophobicContact CB-CE1 4.16Å; C51-F54 HydrophobicContact CB-CZ 4.36Å; F54-C91 HydrophobicContact CD1-CB 4.17Å; F54-L92 VanDerWaalsContact CD1-C 3.47Å; F54-D93 HydrophobicContact CB-CB 4.07Å; F54-D93 HydrophobicContact CD1-CB 3.94Å; F54-D93 HydrophobicContact CG-CB 3.97Å | ||
| 55 | T | 93.6 | Very high | 88.1 | Confident | 46 Ų | 46 | 92.9 Ų | 92.9 | 28% | 0.282 | 47% | 0.47 | S | S | . | . | trans | -87.4 | 119.8 | 173.7 | -57.7 | 0 | 0 | 0 | 0 | 109 | R57 C91 | T55-R57 VanDerWaalsContact C-N 3.3Å; T55-R57 WeakPolarHBondContact CG2-O 3.49Å; T55-R57 PolarHBondContact O-N 2.82Å; T55-C91 PolarHBondContact N-O 2.75Å | ||
| 56 | P | 88.9 | Confident | 89.6 | Confident | 111 Ų | 111 | 92 Ų | 92 | 72% | 0.721 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -72.9 | -19.9 | -171.2 | 27.6 | -35.6 | 0 | 0 | 0 | 113.9 | F98 | P56-F98 VanDerWaalsContact O-CD1 3.26Å; P56-F98 WeakPolarHBondContact O-CD1 3.41Å; P56-F98 WeakPolarHBondContact O-CE1 3.43Å; P56-F98 VanDerWaalsContact O-CZ 3.24Å; P56-F98 WeakPolarHBondContact O-CZ 3.43Å |
| 57 | R | 89.8 | Confident | 91.2 | Very high | 200 Ų | 200 | 89 Ų | 89 | 76% | 0.755 | 45% | 0.448 | S | S | * | . | trans | -154.4 | 141.4 | 176.6 | -172.8 | 169.7 | -77.7 | -135.9 | 1.2 | 110.9 | T55 | T55-R57 VanDerWaalsContact C-N 3.3Å; T55-R57 WeakPolarHBondContact CG2-O 3.49Å; T55-R57 PolarHBondContact O-N 2.82Å | ||
| 58 | V | 90.3 | Very high | 92 | Very high | 14 Ų | 14 | 87 Ų | 87 | 9% | 0.085 | 44% | 0.441 | C | S | . | . | trans | -138.3 | 142.9 | 174.6 | 67.3 | 0 | 0 | 0 | 0 | 109 | P60 I63 L84 L92 F98 | V58-P60 WeakPolarHBondContact O-CD 3.45Å; V58-I63 HydrophobicContact CG1-CD1 3.59Å; V58-I63 HydrophobicContact CG1-CG1 4.37Å; V58-I63 HydrophobicContact CG2-CD1 4.1Å; V58-I63 HydrophobicContact CG2-CG1 3.96Å; V58-L84 HydrophobicContact CG2-CD2 3.61Å; V58-L92 HydrophobicContact CB-CD2 4.18Å; V58-L92 HydrophobicContact CG1-CD1 4.02Å; V58-L92 HydrophobicContact CG1-CD2 3.8Å; V58-F98 HydrophobicContact CG1-CE2 4.32Å | ||
| 59 | N | 91.2 | Very high | 92.3 | Very high | 82 Ų | 82 | 82.8 Ų | 82.8 | 44% | 0.439 | 43% | 0.428 | S | S | . | . | trans | -77.2 | 119.8 | 173.8 | -174 | -20.8 | 0 | 0 | 0 | 109.1 | K61 M62 | N59-K61 PolarHBondContact O-N 2.91Å; N59-K61 VanDerWaalsContact O-N 3.09Å; N59-K61 PolarHBondContact OD1-N 2.83Å; N59-K61 VanDerWaalsContact OD1-N 3.09Å; N59-M62 HydrophobicContact CB-CG 4.1Å; N59-M62 HydrophobicContact CB-SD 4.03Å; N59-M62 WeakPolarHBondContact O-CB 3.42Å; N59-M62 PolarHBondContact O-N 2.86Å | ||
| 60 | P | 90.8 | Very high | 92.4 | Very high | 28 Ų | 28 | 86.1 Ų | 86.1 | 18% | 0.182 | 45% | 0.449 | C | S | . | . | G | 310 helix | trans | -53.7 | -33.3 | -179.9 | -27.3 | 35.7 | 0 | 0 | 0 | 113.7 | V58 M62 I63 K105 I106 | V58-P60 WeakPolarHBondContact O-CD 3.45Å; P60-M62 PolarHBondContact O-N 2.84Å; P60-I63 PolarHBondContact O-N 2.81Å; P60-K105 HydrophobicContact CB-CB 4.29Å; P60-K105 HydrophobicContact CG-CD 4.32Å; P60-I106 HydrophobicContact CB-CD1 4.47Å; P60-I106 HydrophobicContact CB-CG1 3.98Å |
| 61 | K | 90.5 | Very high | 92.5 | Very high | 166 Ų | 166 | 85.5 Ų | 85.5 | 72% | 0.722 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -65.8 | -23 | 179.8 | -64.1 | -175.1 | 178.3 | -176.7 | 0 | 113.5 | N59 K85 | N59-K61 PolarHBondContact O-N 2.91Å; N59-K61 VanDerWaalsContact O-N 3.09Å; N59-K61 PolarHBondContact OD1-N 2.83Å; N59-K61 VanDerWaalsContact OD1-N 3.09Å; K61-K85 VanDerWaalsContact O-CE 3.32Å; K61-K85 WeakPolarHBondContact O-CE 3.45Å; K61-K85 PolarHBondContact O-NZ 3.14Å |
| 62 | M | 92.4 | Very high | 92.3 | Very high | 86 Ų | 86 | 86.6 Ų | 86.6 | 42% | 0.424 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -89.6 | -14.9 | 179.8 | -65.1 | 179 | 65.9 | 0 | 0 | 112.6 | N59 P60 G64 L84 K85 | N59-M62 HydrophobicContact CB-CG 4.1Å; N59-M62 HydrophobicContact CB-SD 4.03Å; N59-M62 WeakPolarHBondContact O-CB 3.42Å; N59-M62 PolarHBondContact O-N 2.86Å; P60-M62 PolarHBondContact O-N 2.84Å; M62-G64 PolarHBondContact O-N 2.91Å; M62-L84 HydrophobicContact CB-CD2 4.47Å; M62-L84 CarbonylContact O-C 3.49Å; M62-L84 VanDerWaalsContact O-CA 3.28Å; M62-L84 WeakPolarHBondContact O-CA 3.48Å; M62-K85 WeakPolarHBondContact O-CG 2.92Å; M62-K85 PolarHBondContact O-N 3.12Å |
| 63 | I | 93.1 | Very high | 92.1 | Very high | 13 Ų | 13 | 85.6 Ų | 85.6 | 7% | 0.067 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 127.7 | 176.5 | -64.7 | 171.4 | 0 | 0 | 0 | 108.1 | V58 P60 A82 L84 L92 I106 | V58-I63 HydrophobicContact CG1-CD1 3.59Å; V58-I63 HydrophobicContact CG1-CG1 4.37Å; V58-I63 HydrophobicContact CG2-CD1 4.1Å; V58-I63 HydrophobicContact CG2-CG1 3.96Å; P60-I63 PolarHBondContact O-N 2.81Å; I63-A82 HydrophobicContact CD1-CB 4.35Å; I63-A82 HydrophobicContact CG1-CB 4.28Å; I63-A82 HydrophobicContact CG2-CB 4.33Å; I63-L84 HydrophobicContact CG1-CD2 3.92Å; I63-L92 HydrophobicContact CD1-CD1 4.46Å; I63-I106 HydrophobicContact CB-CD1 3.89Å; I63-I106 HydrophobicContact CD1-CD1 3.55Å; I63-I106 HydrophobicContact CG1-CD1 4.28Å; I63-I106 HydrophobicContact CG2-CD1 3.93Å |
| 64 | G | 92.5 | Very high | 91.7 | Very high | 53 Ų | 53 | 81.2 Ų | 81.2 | 55% | 0.546 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | -49.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | M62 S83 | M62-G64 PolarHBondContact O-N 2.91Å; G64-S83 WeakPolarHBondContact CA-O 3.49Å; G64-S83 PolarHBondContact N-O 3.14Å |
| 65 | K | 92.1 | Very high | 91.5 | Very high | 119 Ų | 119 | 77.3 Ų | 77.3 | 52% | 0.517 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 141.1 | 179.3 | -170.9 | -176.5 | -178 | -167.1 | 0 | 109.9 | Q67 A82 S83 | K65-Q67 HydrophobicContact CD-CG 4.19Å; K65-Q67 HydrophobicContact CG-CG 4.29Å; K65-Q67 VanDerWaalsContact NZ-OE1 3.1Å; K65-A82 CarbonylContact O-C 3.45Å; K65-A82 WeakPolarHBondContact O-CA 3.46Å; K65-S83 PolarHBondContact N-O 3.46Å; K65-S83 PolarHBondContact O-N 2.7Å |
| 66 | L | 93 | Very high | 91.4 | Very high | 52 Ų | 52 | 79.8 Ų | 79.8 | 27% | 0.272 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 132.7 | 171.7 | -168 | 71 | 0 | 0 | 0 | 108.9 | V80 A82 L92 I103 | L66-V80 HydrophobicContact CD1-CG1 3.64Å; L66-V80 HydrophobicContact CG-CG1 4.18Å; L66-A82 HydrophobicContact CD1-CB 3.89Å; L66-L92 HydrophobicContact CD1-CD1 4.21Å; L66-I103 HydrophobicContact CD2-CD1 3.89Å; L66-I103 HydrophobicContact CD2-CG1 3.65Å |
| 67 | Q | 94.3 | Very high | 91.5 | Very high | 57 Ų | 57 | 81 Ų | 81 | 27% | 0.266 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 132.2 | 177.6 | -64.4 | 179 | 109.1 | 0 | 0 | 108.4 | K65 F69 V80 I81 | K65-Q67 HydrophobicContact CD-CG 4.19Å; K65-Q67 HydrophobicContact CG-CG 4.29Å; K65-Q67 VanDerWaalsContact NZ-OE1 3.1Å; Q67-F69 HydrophobicContact CB-CE2 3.75Å; Q67-F69 HydrophobicContact CB-CZ 4.14Å; Q67-V80 WeakPolarHBondContact O-CA 3.28Å; Q67-I81 PolarHBondContact N-O 2.97Å; Q67-I81 PolarHBondContact O-N 3.15Å |
| 68 | V | 94.2 | Very high | 91.7 | Very high | 89 Ų | 89 | 74.2 Ų | 74.2 | 54% | 0.539 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 121.3 | 179.4 | -177.9 | 0 | 0 | 0 | 0 | 106.9 | V78 E79 V80 | V68-V78 HydrophobicContact CG1-CG1 4.15Å; V68-E79 WeakPolarHBondContact CA-O 3.14Å; V68-V80 HydrophobicContact CG1-CG2 4.39Å; V68-V80 HydrophobicContact CG2-CG1 4.39Å; V68-V80 HydrophobicContact CG2-CG2 4.37Å |
| 69 | F | 94.1 | Very high | 91.9 | Very high | 86 Ų | 86 | 74.2 Ų | 74.2 | 38% | 0.377 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 117.3 | 177.1 | -61.8 | -87.3 | 0 | 0 | 0 | 107.7 | Q67 V78 E79 I81 | Q67-F69 HydrophobicContact CB-CE2 3.75Å; Q67-F69 HydrophobicContact CB-CZ 4.14Å; F69-V78 WeakPolarHBondContact O-CA 3.32Å; F69-V78 WeakPolarHBondContact O-CG1 3.05Å; F69-E79 HydrophobicContact CB-CB 4.18Å; F69-E79 HydrophobicContact CD2-CB 4.45Å; F69-E79 PolarHBondContact N-O 3.26Å; F69-E79 PolarHBondContact O-N 2.03Å; F69-I81 HydrophobicContact CD2-CD1 4.12Å; F69-I81 HydrophobicContact CD2-CG1 4.22Å; F69-I81 HydrophobicContact CE2-CB 4.28Å; F69-I81 HydrophobicContact CE2-CD1 3.72Å; F69-I81 HydrophobicContact CE2-CG1 4.02Å |
| 70 | P | 93.8 | Very high | 92.1 | Very high | 103 Ų | 103 | 70.7 Ų | 70.7 | 67% | 0.669 | 40% | 0.398 | S | S | * | . | trans | -70.2 | 169.1 | 177.1 | 31.9 | -35.4 | 0 | 0 | 0 | 110.7 | G72 | P70-G72 PolarHBondContact O-N 3.26Š| ||
| 71 | V | 93.6 | Very high | 92.4 | Very high | 91 Ų | 91 | 70 Ų | 70 | 55% | 0.552 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -55.5 | 132.8 | 170 | 178.3 | 0 | 0 | 0 | 0 | 109.4 | V78 | V71-V78 HydrophobicContact CG2-CG2 3.89Š|
| 72 | G | 90.2 | Very high | 92.6 | Very high | 33 Ų | 33 | 62 Ų | 62 | 34% | 0.34 | 36% | 0.358 | S | S | . | . | B | Isolated β-bridge | trans | -151.7 | -178.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | P70 Q74 C75 | P70-G72 PolarHBondContact O-N 3.26Å; G72-Q74 PolarHBondContact O-N 3.23Å; G72-C75 PolarHBondContact N-O 2.73Å; G72-C75 CarbonylContact O-C 2.94Å; G72-C75 PolarHBondContact O-N 3.37Å |
| 73 | P | 87.9 | Confident | 92.8 | Very high | 116 Ų | 116 | 59.1 Ų | 59.1 | 75% | 0.753 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -34 | 178.1 | 22.8 | -31.9 | 0 | 0 | 0 | 111.4 | L47 | L47-P73 WeakPolarHBondContact CD2-O 3.43Š|
| 74 | Q | 85.9 | Confident | 92.9 | Very high | 69 Ų | 69 | 59.4 Ų | 59.4 | 32% | 0.322 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -30.1 | -178.8 | -68.5 | -60.8 | -45.5 | 0 | 0 | 114.5 | T45 E46 L47 R48 G72 | T45-Q74 PolarHBondContact O-NE2 3.49Å; T45-Q74 PolarHBondContact O-OE1 3.16Å; T45-Q74 VanDerWaalsContact O-OE1 3.12Å; T45-Q74 PolarHBondContact OG1-NE2 2.04Å; T45-Q74 PolarHBondContact OG1-OE1 2.95Å; T45-Q74 VanDerWaalsContact OG1-OE1 3.14Å; E46-Q74 PolarHBondContact O-OE1 3.44Å; L47-Q74 CarbonylContact C-O 3.35Å; L47-Q74 WeakPolarHBondContact CA-O 3.45Å; R48-Q74 CarbonylContact C-O 3.6Å; R48-Q74 PolarHBondContact N-O 3.37Å; G72-Q74 PolarHBondContact O-N 3.23Å |
| 75 | C | 89.9 | Confident | 93 | Very high | 9 Ų | 9 | 64.3 Ų | 64.3 | 6% | 0.061 | 35% | 0.353 | C | S | . | . | B | Isolated β-bridge | trans | -152.9 | 128.5 | -178.9 | 177.3 | 0 | 0 | 0 | 0 | 109.7 | C49 G72 K77 | C49-C75 HydrophobicContact CB-CB 3.93Å; C49-C75 WeakPolarHBondContact CB-SG 3.11Å; C49-C75 WeakPolarHBondContact SG-CB 3.41Å; C49-C75 CovalentContact SG-SG 2.04Å; C49-C75 PolarHBondContact SG-SG 3.46Å; G72-C75 PolarHBondContact N-O 2.73Å; G72-C75 CarbonylContact O-C 2.94Å; G72-C75 PolarHBondContact O-N 3.37Å; C75-K77 PolarHBondContact O-N 2.9Å; C75-K77 PolarHBondContact SG-N 3.18Å; C75-K77 PolarHBondContact SG-O 3.14Å; C75-K77 VanDerWaalsContact SG-O 3.37Å |
| 76 | S | 91.2 | Very high | 93.1 | Very high | 98 Ų | 98 | 63.8 Ų | 63.8 | 69% | 0.685 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -76.2 | -1.3 | 179.8 | 57.3 | 0 | 0 | 0 | 0 | 114 | ||
| 77 | K | 91.6 | Very high | 93.2 | Very high | 137 Ų | 137 | 64.2 Ų | 64.2 | 60% | 0.596 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -117.4 | 153.3 | -178.6 | -60.2 | -177.1 | -178.7 | -175.9 | 0 | 110.3 | C75 | C75-K77 PolarHBondContact O-N 2.9Å; C75-K77 PolarHBondContact SG-N 3.18Å; C75-K77 PolarHBondContact SG-O 3.14Å; C75-K77 VanDerWaalsContact SG-O 3.37Å |
| 78 | V | 93.8 | Very high | 93.2 | Very high | 57 Ų | 57 | 67.7 Ų | 67.7 | 35% | 0.345 | 39% | 0.388 | S | S | . | . | trans | -71.7 | 132.8 | 168.5 | 177.5 | 0 | 0 | 0 | 0 | 108.4 | V68 F69 V71 P94 | V68-V78 HydrophobicContact CG1-CG1 4.15Å; F69-V78 WeakPolarHBondContact O-CA 3.32Å; F69-V78 WeakPolarHBondContact O-CG1 3.05Å; V71-V78 HydrophobicContact CG2-CG2 3.89Å; V78-P94 HydrophobicContact CB-CG 4.48Å; V78-P94 HydrophobicContact CG1-CB 4.37Å | ||
| 79 | E | 95 | Very high | 93.3 | Very high | 15 Ų | 15 | 69.6 Ų | 69.6 | 7% | 0.07 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 136.7 | 175.3 | -48.5 | -164.5 | 99.6 | 0 | 0 | 110.3 | C49 T50 C51 V68 F69 | C49-E79 VanDerWaalsContact CB-OE1 3.32Å; C49-E79 WeakPolarHBondContact CB-OE1 3.26Å; T50-E79 WeakPolarHBondContact CB-OE2 3Å; T50-E79 PolarHBondContact N-OE1 3.38Å; T50-E79 PolarHBondContact N-OE2 2.66Å; T50-E79 VanDerWaalsContact N-OE2 3.14Å; T50-E79 PolarHBondContact OG1-OE2 3.33Å; C51-E79 VanDerWaalsContact CB-OE1 3.26Å; C51-E79 WeakPolarHBondContact CB-OE1 3.32Å; C51-E79 PolarHBondContact N-OE1 3.17Å; V68-E79 WeakPolarHBondContact CA-O 3.14Å; F69-E79 HydrophobicContact CB-CB 4.18Å; F69-E79 HydrophobicContact CD2-CB 4.45Å; F69-E79 PolarHBondContact N-O 3.26Å; F69-E79 PolarHBondContact O-N 2.03Å |
| 80 | V | 95.3 | Very high | 93.4 | Very high | 7 Ų | 7 | 66 Ų | 66 | 4% | 0.042 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 114.3 | 174.2 | -176.3 | 0 | 0 | 0 | 0 | 108.5 | L66 Q67 V68 C91 L92 P94 L99 | L66-V80 HydrophobicContact CD1-CG1 3.64Å; L66-V80 HydrophobicContact CG-CG1 4.18Å; Q67-V80 WeakPolarHBondContact O-CA 3.28Å; V68-V80 HydrophobicContact CG1-CG2 4.39Å; V68-V80 HydrophobicContact CG2-CG1 4.39Å; V68-V80 HydrophobicContact CG2-CG2 4.37Å; V80-C91 WeakPolarHBondContact O-CA 3.15Å; V80-L92 HydrophobicContact CB-CB 4.36Å; V80-L92 HydrophobicContact CG1-CB 4.28Å; V80-L92 PolarHBondContact O-N 2.74Å; V80-P94 HydrophobicContact CG2-CB 4.22Å; V80-L99 HydrophobicContact CB-CD2 4.29Å; V80-L99 HydrophobicContact CG1-CD2 4.21Å; V80-L99 HydrophobicContact CG2-CD2 4.2Å |
| 81 | I | 95.9 | Very high | 93.5 | Very high | 13 Ų | 13 | 62.1 Ų | 62.1 | 7% | 0.067 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 120.7 | -178.5 | -53.9 | -176.5 | 0 | 0 | 0 | 108.9 | T50 Q67 F69 Q89 | T50-I81 HydrophobicContact CG2-CD1 4Å; Q67-I81 PolarHBondContact N-O 2.97Å; Q67-I81 PolarHBondContact O-N 3.15Å; F69-I81 HydrophobicContact CD2-CD1 4.12Å; F69-I81 HydrophobicContact CD2-CG1 4.22Å; F69-I81 HydrophobicContact CE2-CB 4.28Å; F69-I81 HydrophobicContact CE2-CD1 3.72Å; F69-I81 HydrophobicContact CE2-CG1 4.02Å; I81-Q89 HydrophobicContact CG2-CB 4.4Å |
| 82 | A | 95.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 126.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | I63 K65 L66 Q89 V90 L92 | I63-A82 HydrophobicContact CD1-CB 4.35Å; I63-A82 HydrophobicContact CG1-CB 4.28Å; I63-A82 HydrophobicContact CG2-CB 4.33Å; K65-A82 CarbonylContact O-C 3.45Å; K65-A82 WeakPolarHBondContact O-CA 3.46Å; L66-A82 HydrophobicContact CD1-CB 3.89Å; A82-Q89 WeakPolarHBondContact O-CA 3.42Å; A82-V90 HydrophobicContact CB-CG2 3.98Å; A82-V90 PolarHBondContact N-O 2.78Å; A82-V90 PolarHBondContact O-N 3.41Å; A82-L92 HydrophobicContact CB-CD1 3.7Å; A82-L92 HydrophobicContact CB-CG 4.3Å |
| 83 | S | 96.1 | Very high | 93.8 | Very high | 24 Ų | 24 | 58.7 Ų | 58.7 | 17% | 0.168 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 116.3 | 166.1 | -49.5 | 0 | 0 | 0 | 0 | 108.5 | G64 K65 | G64-S83 WeakPolarHBondContact CA-O 3.49Å; G64-S83 PolarHBondContact N-O 3.14Å; K65-S83 PolarHBondContact N-O 3.46Å; K65-S83 PolarHBondContact O-N 2.7Å |
| 84 | L | 95.1 | Very high | 93.9 | Very high | 20 Ų | 20 | 55 Ų | 55 | 11% | 0.105 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 157 | 176.8 | -57.6 | -175.2 | 0 | 0 | 0 | 110.4 | V58 M62 I63 N86 G87 K88 V90 | V58-L84 HydrophobicContact CG2-CD2 3.61Å; M62-L84 HydrophobicContact CB-CD2 4.47Å; M62-L84 CarbonylContact O-C 3.49Å; M62-L84 VanDerWaalsContact O-CA 3.28Å; M62-L84 WeakPolarHBondContact O-CA 3.48Å; I63-L84 HydrophobicContact CG1-CD2 3.92Å; L84-N86 WeakPolarHBondContact CB-OD1 2.98Å; L84-N86 PolarHBondContact O-N 3.02Å; L84-N86 VanDerWaalsContact O-N 3.14Å; L84-G87 PolarHBondContact O-N 3.3Å; L84-K88 WeakPolarHBondContact CB-O 3.33Å; L84-K88 HydrophobicContact CD1-CB 4.33Å; L84-K88 PolarHBondContact N-O 2.67Å; L84-V90 HydrophobicContact CD1-CG1 4.26Å; L84-V90 HydrophobicContact CD2-CG2 4.27Å; L84-V90 HydrophobicContact CG-CG2 4.31Å |
| 85 | K | 95.1 | Very high | 94.1 | Very high | 155 Ų | 155 | 60 Ų | 60 | 67% | 0.674 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -20.9 | 178.4 | -71.6 | 175.7 | 178.6 | 171.7 | 0 | 113.9 | K61 M62 G87 | K61-K85 VanDerWaalsContact O-CE 3.32Å; K61-K85 WeakPolarHBondContact O-CE 3.45Å; K61-K85 PolarHBondContact O-NZ 3.14Å; M62-K85 WeakPolarHBondContact O-CG 2.92Å; M62-K85 PolarHBondContact O-N 3.12Å; K85-G87 PolarHBondContact O-N 2.75Å |
| 86 | N | 94.1 | Very high | 94.1 | Very high | 108 Ų | 108 | 60 Ų | 60 | 58% | 0.578 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | 7.8 | 173.6 | 68 | -7.1 | 0 | 0 | 0 | 113.1 | L84 K88 | L84-N86 WeakPolarHBondContact CB-OD1 2.98Å; L84-N86 PolarHBondContact O-N 3.02Å; L84-N86 VanDerWaalsContact O-N 3.14Å; N86-K88 VanDerWaalsContact C-N 3.28Å; N86-K88 PolarHBondContact O-N 3.13Å; N86-K88 VanDerWaalsContact OD1-CB 3.32Å; N86-K88 WeakPolarHBondContact OD1-CB 3.38Å; N86-K88 PolarHBondContact OD1-N 3.12Å; N86-K88 VanDerWaalsContact OD1-N 3.12Å |
| 87 | G | 94.4 | Very high | 94 | Very high | 62 Ų | 62 | 60.3 Ų | 60.3 | 64% | 0.639 | 32% | 0.322 | S | S | * | . | S | Bend | trans | 84.1 | -9.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L84 K85 | L84-G87 PolarHBondContact O-N 3.3Å; K85-G87 PolarHBondContact O-N 2.75Å |
| 88 | K | 95.3 | Very high | 93.8 | Very high | 129 Ų | 129 | 55.5 Ų | 55.5 | 56% | 0.561 | 30% | 0.301 | S | S | * | . | trans | -72.1 | 137.1 | 179 | -173.8 | 176.2 | -179.9 | 177.9 | 0 | 111 | L84 N86 V90 | L84-K88 WeakPolarHBondContact CB-O 3.33Å; L84-K88 HydrophobicContact CD1-CB 4.33Å; L84-K88 PolarHBondContact N-O 2.67Å; N86-K88 VanDerWaalsContact C-N 3.28Å; N86-K88 PolarHBondContact O-N 3.13Å; N86-K88 VanDerWaalsContact OD1-CB 3.32Å; N86-K88 WeakPolarHBondContact OD1-CB 3.38Å; N86-K88 PolarHBondContact OD1-N 3.12Å; N86-K88 VanDerWaalsContact OD1-N 3.12Å; K88-V90 HydrophobicContact CD-CG1 4.27Å; K88-V90 HydrophobicContact CG-CG1 4.23Å | ||
| 89 | Q | 95.8 | Very high | 93.7 | Very high | 129 Ų | 129 | 53.1 Ų | 53.1 | 60% | 0.603 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 137.8 | 169.8 | -62.5 | -173.6 | -0.2 | 0 | 0 | 110.4 | I81 A82 | I81-Q89 HydrophobicContact CG2-CB 4.4Å; A82-Q89 WeakPolarHBondContact O-CA 3.42Å |
| 90 | V | 95.9 | Very high | 93.4 | Very high | 12 Ų | 12 | 59.6 Ų | 59.6 | 7% | 0.073 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 139 | 177.4 | -63.2 | 0 | 0 | 0 | 0 | 110.4 | A82 L84 K88 L92 | A82-V90 HydrophobicContact CB-CG2 3.98Å; A82-V90 PolarHBondContact N-O 2.78Å; A82-V90 PolarHBondContact O-N 3.41Å; L84-V90 HydrophobicContact CD1-CG1 4.26Å; L84-V90 HydrophobicContact CD2-CG2 4.27Å; L84-V90 HydrophobicContact CG-CG2 4.31Å; K88-V90 HydrophobicContact CD-CG1 4.27Å; K88-V90 HydrophobicContact CG-CG1 4.23Å; V90-L92 HydrophobicContact CG2-CD2 4.34Å |
| 91 | C | 96.4 | Very high | 93.1 | Very high | 20 Ų | 20 | 66.4 Ų | 66.4 | 14% | 0.135 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 135.2 | 170.7 | -68.2 | 0 | 0 | 0 | 0 | 110 | C51 H53 F54 T55 V80 | C51-C91 WeakPolarHBondContact CA-SG 3.48Å; C51-C91 HydrophobicContact CB-CB 3.62Å; C51-C91 WeakPolarHBondContact CB-SG 3.46Å; C51-C91 WeakPolarHBondContact SG-CB 3.47Å; C51-C91 CovalentContact SG-SG 2.03Å; C51-C91 PolarHBondContact SG-SG 2.84Å; H53-C91 VanDerWaalsContact O-CB 3.28Å; H53-C91 WeakPolarHBondContact O-CB 3.28Å; F54-C91 HydrophobicContact CD1-CB 4.17Å; T55-C91 PolarHBondContact N-O 2.75Å; V80-C91 WeakPolarHBondContact O-CA 3.15Å |
| 92 | L | 95.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 140.4 | 177.3 | -58.7 | 175.5 | 0 | 0 | 0 | 108.9 | F54 V58 I63 L66 V80 A82 V90 P94 F98 L99 | F54-L92 VanDerWaalsContact CD1-C 3.47Å; V58-L92 HydrophobicContact CB-CD2 4.18Å; V58-L92 HydrophobicContact CG1-CD1 4.02Å; V58-L92 HydrophobicContact CG1-CD2 3.8Å; I63-L92 HydrophobicContact CD1-CD1 4.46Å; L66-L92 HydrophobicContact CD1-CD1 4.21Å; V80-L92 HydrophobicContact CB-CB 4.36Å; V80-L92 HydrophobicContact CG1-CB 4.28Å; V80-L92 PolarHBondContact O-N 2.74Å; A82-L92 HydrophobicContact CB-CD1 3.7Å; A82-L92 HydrophobicContact CB-CG 4.3Å; V90-L92 HydrophobicContact CG2-CD2 4.34Å; L92-P94 WeakPolarHBondContact O-CD 3.01Å; L92-F98 HydrophobicContact CD2-CE2 4.47Å; L92-F98 HydrophobicContact CD2-CZ 4.35Å; L92-L99 HydrophobicContact CB-CD1 3.81Å; L92-L99 HydrophobicContact CB-CD2 4.12Å; L92-L99 HydrophobicContact CD1-CD1 3.48Å; L92-L99 VanDerWaalsContact CD1-CD1 3.48Å; L92-L99 HydrophobicContact CG-CD1 4.23Å |
| 93 | D | 93.6 | Very high | 92.3 | Very high | 52 Ų | 52 | 68.6 Ų | 68.6 | 28% | 0.278 | 36% | 0.355 | S | S | . | . | trans | -76.9 | 118.4 | -178.5 | 176.2 | 2.3 | 0 | 0 | 0 | 110 | F54 E95 A96 L99 | F54-D93 HydrophobicContact CB-CB 4.07Å; F54-D93 HydrophobicContact CD1-CB 3.94Å; F54-D93 HydrophobicContact CG-CB 3.97Å; D93-E95 PolarHBondContact O-N 3.03Å; D93-E95 PolarHBondContact OD1-N 2.73Å; D93-A96 HydrophobicContact CB-CB 3.87Å; D93-A96 WeakPolarHBondContact O-CB 3.41Å; D93-A96 PolarHBondContact O-N 2.84Å; D93-A96 VanDerWaalsContact O-N 3.16Å; D93-L99 WeakPolarHBondContact O-CD2 3.38Å | ||
| 94 | P | 91.6 | Very high | 92.1 | Very high | 40 Ų | 40 | 73.3 Ų | 73.3 | 26% | 0.26 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -25.8 | 179.7 | 27 | -36 | 0 | 0 | 0 | 113.5 | V78 V80 L92 | V78-P94 HydrophobicContact CB-CG 4.48Å; V78-P94 HydrophobicContact CG1-CB 4.37Å; V80-P94 HydrophobicContact CG2-CB 4.22Å; L92-P94 WeakPolarHBondContact O-CD 3.01Å |
| 95 | E | 89.6 | Confident | 91.8 | Very high | 172 Ų | 172 | 78.3 Ų | 78.3 | 80% | 0.804 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -15.1 | -179.3 | -62.2 | -177.3 | -162.5 | 0 | 0 | 112.1 | D93 | D93-E95 PolarHBondContact O-N 3.03Å; D93-E95 PolarHBondContact OD1-N 2.73Å |
| 96 | A | 90.3 | Very high | 91.4 | Very high | 11 Ų | 11 | 73.1 Ų | 73.1 | 9% | 0.091 | 38% | 0.375 | C | S | . | . | trans | -70.8 | 127.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D93 F98 L99 | D93-A96 HydrophobicContact CB-CB 3.87Å; D93-A96 WeakPolarHBondContact O-CB 3.41Å; D93-A96 PolarHBondContact O-N 2.84Å; D93-A96 VanDerWaalsContact O-N 3.16Å; A96-F98 HydrophobicContact CB-CD1 3.54Å; A96-F98 HydrophobicContact CB-CE1 3.34Å; A96-F98 HydrophobicContact CB-CZ 4.37Å; A96-F98 PolarHBondContact O-N 2.86Å; A96-F98 VanDerWaalsContact O-N 3.12Å; A96-L99 WeakPolarHBondContact O-CB 3.41Å; A96-L99 PolarHBondContact O-N 2.73Å | ||
| 97 | P | 88.5 | Confident | 91 | Very high | 103 Ų | 103 | 73.5 Ų | 73.5 | 67% | 0.669 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -60.7 | -28.7 | -177.1 | -24.9 | 32.5 | 0 | 0 | 0 | 114.4 | L99 | P97-L99 VanDerWaalsContact C-N 3.29Å; P97-L99 PolarHBondContact O-N 3.18Å |
| 98 | F | 87.9 | Confident | 90.7 | Very high | 37 Ų | 37 | 75.2 Ų | 75.2 | 16% | 0.162 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -69.5 | -28.8 | -180 | 82.4 | -89.9 | 0 | 0 | 0 | 112 | P56 V58 L92 A96 K101 S102 | P56-F98 VanDerWaalsContact O-CD1 3.26Å; P56-F98 WeakPolarHBondContact O-CD1 3.41Å; P56-F98 WeakPolarHBondContact O-CE1 3.43Å; P56-F98 VanDerWaalsContact O-CZ 3.24Å; P56-F98 WeakPolarHBondContact O-CZ 3.43Å; V58-F98 HydrophobicContact CG1-CE2 4.32Å; L92-F98 HydrophobicContact CD2-CE2 4.47Å; L92-F98 HydrophobicContact CD2-CZ 4.35Å; A96-F98 HydrophobicContact CB-CD1 3.54Å; A96-F98 HydrophobicContact CB-CE1 3.34Å; A96-F98 HydrophobicContact CB-CZ 4.37Å; A96-F98 PolarHBondContact O-N 2.86Å; A96-F98 VanDerWaalsContact O-N 3.12Å; F98-K101 PolarHBondContact O-N 2.97Å; F98-S102 PolarHBondContact O-N 2.77Å; F98-S102 PolarHBondContact O-OG 2.93Å; F98-S102 VanDerWaalsContact O-OG 3.09Å |
| 99 | L | 90.1 | Very high | 90.1 | Very high | 6 Ų | 6 | 72.8 Ų | 72.8 | 3% | 0.031 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.6 | -46.6 | -175.3 | -179.5 | 59.2 | 0 | 0 | 0 | 110.5 | V80 L92 D93 A96 P97 K101 S102 I103 | V80-L99 HydrophobicContact CB-CD2 4.29Å; V80-L99 HydrophobicContact CG1-CD2 4.21Å; V80-L99 HydrophobicContact CG2-CD2 4.2Å; L92-L99 HydrophobicContact CB-CD1 3.81Å; L92-L99 HydrophobicContact CB-CD2 4.12Å; L92-L99 HydrophobicContact CD1-CD1 3.48Å; L92-L99 VanDerWaalsContact CD1-CD1 3.48Å; L92-L99 HydrophobicContact CG-CD1 4.23Å; D93-L99 WeakPolarHBondContact O-CD2 3.38Å; A96-L99 WeakPolarHBondContact O-CB 3.41Å; A96-L99 PolarHBondContact O-N 2.73Å; P97-L99 VanDerWaalsContact C-N 3.29Å; P97-L99 PolarHBondContact O-N 3.18Å; L99-K101 VanDerWaalsContact C-N 3.3Å; L99-K101 PolarHBondContact O-N 3.49Å; L99-S102 WeakPolarHBondContact O-CB 3.49Å; L99-S102 PolarHBondContact O-N 3.48Å; L99-I103 HydrophobicContact CD1-CD1 4.03Å; L99-I103 HydrophobicContact CD1-CG1 4.12Å; L99-I103 HydrophobicContact CD2-CD1 4.45Å; L99-I103 HydrophobicContact CG-CD1 3.82Å; L99-I103 HydrophobicContact CG-CG1 4.33Å; L99-I103 VanDerWaalsContact O-CG1 3.32Å; L99-I103 WeakPolarHBondContact O-CG1 3.43Å; L99-I103 PolarHBondContact O-N 3.24Å |
| 100 | K | 89.1 | Confident | 89.2 | Confident | 151 Ų | 151 | 68.9 Ų | 68.9 | 66% | 0.657 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -53.9 | -47 | 176.3 | -65.7 | -177.1 | -179.4 | 179.7 | 0 | 111.8 | S102 I103 Q104 | K100-S102 VanDerWaalsContact C-N 3.34Å; K100-S102 PolarHBondContact O-N 3.17Å; K100-I103 PolarHBondContact O-N 3.32Å; K100-Q104 PolarHBondContact O-N 3.13Å; K100-Q104 VanDerWaalsContact O-N 3.08Å |
| 101 | K | 88.8 | Confident | 88.3 | Confident | 150 Ų | 150 | 74.6 Ų | 74.6 | 65% | 0.652 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -64.5 | -37.6 | 177.9 | -64.1 | -177.5 | -179.3 | -179.3 | 0 | 112.4 | F98 L99 K105 | F98-K101 PolarHBondContact O-N 2.97Å; L99-K101 VanDerWaalsContact C-N 3.3Å; L99-K101 PolarHBondContact O-N 3.49Å; K101-K105 WeakPolarHBondContact O-CG 3.37Å; K101-K105 PolarHBondContact O-N 3.41Å |
| 102 | S | 87.6 | Confident | 87.1 | Confident | 11 Ų | 11 | 82.6 Ų | 82.6 | 8% | 0.077 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -67.7 | -44.4 | 177.5 | -66.2 | 0 | 0 | 0 | 0 | 111.9 | F98 L99 K100 K105 I106 | F98-S102 PolarHBondContact O-N 2.77Å; F98-S102 PolarHBondContact O-OG 2.93Å; F98-S102 VanDerWaalsContact O-OG 3.09Å; L99-S102 WeakPolarHBondContact O-CB 3.49Å; L99-S102 PolarHBondContact O-N 3.48Å; K100-S102 VanDerWaalsContact C-N 3.34Å; K100-S102 PolarHBondContact O-N 3.17Å; S102-K105 PolarHBondContact O-N 3.34Å; S102-I106 WeakPolarHBondContact O-CD1 3.5Å; S102-I106 VanDerWaalsContact O-CG1 3.26Å; S102-I106 WeakPolarHBondContact O-CG1 3.48Å; S102-I106 PolarHBondContact O-N 3.47Å |
| 103 | I | 88.8 | Confident | 85.5 | Confident | 48 Ų | 48 | 91.9 Ų | 91.9 | 25% | 0.246 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -60.2 | -48.3 | 178.1 | -66.6 | 172.3 | 0 | 0 | 0 | 110.2 | L66 L99 K100 K105 I106 L107 | L66-I103 HydrophobicContact CD2-CD1 3.89Å; L66-I103 HydrophobicContact CD2-CG1 3.65Å; L99-I103 HydrophobicContact CD1-CD1 4.03Å; L99-I103 HydrophobicContact CD1-CG1 4.12Å; L99-I103 HydrophobicContact CD2-CD1 4.45Å; L99-I103 HydrophobicContact CG-CD1 3.82Å; L99-I103 HydrophobicContact CG-CG1 4.33Å; L99-I103 VanDerWaalsContact O-CG1 3.32Å; L99-I103 WeakPolarHBondContact O-CG1 3.43Å; L99-I103 PolarHBondContact O-N 3.24Å; K100-I103 PolarHBondContact O-N 3.32Å; I103-K105 VanDerWaalsContact C-N 3.32Å; I103-K105 PolarHBondContact O-N 3.38Å; I103-I106 WeakPolarHBondContact O-CB 3.41Å; I103-I106 PolarHBondContact O-N 2.94Å; I103-L107 HydrophobicContact CG2-CD1 3.97Å; I103-L107 HydrophobicContact CG2-CG 4.36Å; I103-L107 WeakPolarHBondContact O-CG 3.38Å; I103-L107 PolarHBondContact O-N 3.4Å |
| 104 | Q | 90.1 | Very high | 83.5 | Confident | 124 Ų | 124 | 98.9 Ų | 98.9 | 58% | 0.579 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.1 | -46.3 | 180 | -165.9 | 142.6 | 20.9 | 0 | 0 | 111.7 | K100 I106 L107 D108 | K100-Q104 PolarHBondContact O-N 3.13Å; K100-Q104 VanDerWaalsContact O-N 3.08Å; Q104-I106 VanDerWaalsContact C-N 3.29Å; Q104-I106 PolarHBondContact O-N 2.98Å; Q104-L107 PolarHBondContact O-N 3.29Å; Q104-L107 VanDerWaalsContact O-N 3.17Å; Q104-D108 PolarHBondContact O-N 2.95Å; Q104-D108 VanDerWaalsContact O-OD2 3.13Å |
| 105 | K | 88.9 | Confident | 83.1 | Confident | 125 Ų | 125 | 101.9 Ų | 101.9 | 54% | 0.543 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.5 | -38.5 | 174.3 | -73.4 | 178.6 | 179.8 | -176.2 | 0 | 113.3 | P60 K101 S102 I103 S109 | P60-K105 HydrophobicContact CB-CB 4.29Å; P60-K105 HydrophobicContact CG-CD 4.32Å; K101-K105 WeakPolarHBondContact O-CG 3.37Å; K101-K105 PolarHBondContact O-N 3.41Å; S102-K105 PolarHBondContact O-N 3.34Å; I103-K105 VanDerWaalsContact C-N 3.32Å; I103-K105 PolarHBondContact O-N 3.38Å; K105-S109 VanDerWaalsContact O-CB 3.29Å; K105-S109 WeakPolarHBondContact O-CB 3.43Å; K105-S109 PolarHBondContact O-N 3.11Å; K105-S109 PolarHBondContact O-OG 3.47Å |
| 106 | I | 86.9 | Confident | 82.8 | Confident | 46 Ų | 46 | 98.2 Ų | 98.2 | 24% | 0.236 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -65.4 | -44.6 | 178.6 | -66.8 | 159.7 | 0 | 0 | 0 | 110.1 | P60 I63 S102 I103 Q104 S109 G110 | P60-I106 HydrophobicContact CB-CD1 4.47Å; P60-I106 HydrophobicContact CB-CG1 3.98Å; I63-I106 HydrophobicContact CB-CD1 3.89Å; I63-I106 HydrophobicContact CD1-CD1 3.55Å; I63-I106 HydrophobicContact CG1-CD1 4.28Å; I63-I106 HydrophobicContact CG2-CD1 3.93Å; S102-I106 WeakPolarHBondContact O-CD1 3.5Å; S102-I106 VanDerWaalsContact O-CG1 3.26Å; S102-I106 WeakPolarHBondContact O-CG1 3.48Å; S102-I106 PolarHBondContact O-N 3.47Å; I103-I106 WeakPolarHBondContact O-CB 3.41Å; I103-I106 PolarHBondContact O-N 2.94Å; Q104-I106 VanDerWaalsContact C-N 3.29Å; Q104-I106 PolarHBondContact O-N 2.98Å; I106-S109 PolarHBondContact O-N 3.32Å; I106-G110 PolarHBondContact O-N 2.67Å |
| 107 | L | 86.9 | Confident | 82.3 | Confident | 116 Ų | 116 | 103 Ų | 103 | 61% | 0.607 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.3 | -46 | 178.4 | -64 | 174.1 | 0 | 0 | 0 | 111.5 | I103 Q104 S109 G110 N111 | I103-L107 HydrophobicContact CG2-CD1 3.97Å; I103-L107 HydrophobicContact CG2-CG 4.36Å; I103-L107 WeakPolarHBondContact O-CG 3.38Å; I103-L107 PolarHBondContact O-N 3.4Å; Q104-L107 PolarHBondContact O-N 3.29Å; Q104-L107 VanDerWaalsContact O-N 3.17Å; L107-S109 VanDerWaalsContact C-N 3.3Å; L107-S109 PolarHBondContact O-N 2.98Å; L107-G110 PolarHBondContact O-N 2.74Å; L107-G110 VanDerWaalsContact O-N 3.16Å; L107-N111 PolarHBondContact O-N 3.44Å; L107-N111 VanDerWaalsContact O-N 3.08Å |
| 108 | D | 87.7 | Confident | 82 | Confident | 97 Ų | 97 | 103 Ų | 103 | 52% | 0.519 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.4 | -40.2 | 177.3 | -59.8 | -25.8 | 0 | 0 | 0 | 111.5 | Q104 G110 N111 K112 | Q104-D108 PolarHBondContact O-N 2.95Å; Q104-D108 VanDerWaalsContact O-OD2 3.13Å; D108-G110 VanDerWaalsContact C-N 3.31Å; D108-G110 PolarHBondContact O-N 2.96Å; D108-N111 PolarHBondContact O-N 2.86Å; D108-K112 PolarHBondContact O-N 3.47Å |
| 109 | S | 81.6 | Confident | 81.6 | Confident | 79 Ų | 79 | 107.1 Ų | 107.1 | 55% | 0.552 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.2 | -33 | 177.8 | -56.6 | 0 | 0 | 0 | 0 | 112.7 | K105 I106 L107 | K105-S109 VanDerWaalsContact O-CB 3.29Å; K105-S109 WeakPolarHBondContact O-CB 3.43Å; K105-S109 PolarHBondContact O-N 3.11Å; K105-S109 PolarHBondContact O-OG 3.47Å; I106-S109 PolarHBondContact O-N 3.32Å; L107-S109 VanDerWaalsContact C-N 3.3Å; L107-S109 PolarHBondContact O-N 2.98Å |
| 110 | G | 78.1 | Confident | 81 | Confident | 47 Ų | 47 | 113.9 Ų | 113.9 | 49% | 0.485 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -71.8 | -41.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | I106 L107 D108 K112 K113 | I106-G110 PolarHBondContact O-N 2.67Å; L107-G110 PolarHBondContact O-N 2.74Å; L107-G110 VanDerWaalsContact O-N 3.16Å; D108-G110 VanDerWaalsContact C-N 3.31Å; D108-G110 PolarHBondContact O-N 2.96Å; G110-K112 PolarHBondContact O-N 3.26Å; G110-K113 PolarHBondContact O-N 3.4Å |
| 111 | N | 76.4 | Confident | 80.5 | Confident | 132 Ų | 132 | 111.2 Ų | 111.2 | 71% | 0.706 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.3 | -38.9 | -179.3 | -157.9 | -76 | 0 | 0 | 0 | 112.3 | L107 D108 K113 N114 | L107-N111 PolarHBondContact O-N 3.44Å; L107-N111 VanDerWaalsContact O-N 3.08Å; D108-N111 PolarHBondContact O-N 2.86Å; N111-K113 PolarHBondContact O-N 3.46Å; N111-N114 PolarHBondContact O-N 3.34Å |
| 112 | K | 72 | Confident | 79.8 | Confident | 187 Ų | 187 | 108.2 Ų | 108.2 | 81% | 0.813 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -14.6 | 177 | -174.8 | 164.3 | -177.4 | 167.1 | 0 | 114.5 | D108 G110 | D108-K112 PolarHBondContact O-N 3.47Å; G110-K112 PolarHBondContact O-N 3.26Å |
| 113 | K | 60.8 | Low | 79.2 | Confident | 195 Ų | 195 | 116.3 Ų | 116.3 | 85% | 0.848 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | 1.4 | -177.7 | -141 | 175.1 | -178.3 | -176.9 | 0 | 112.9 | G110 N111 | G110-K113 PolarHBondContact O-N 3.4Å; N111-K113 PolarHBondContact O-N 3.46Å |
| 114 | N | 52.1 | Low | 78.3 | Confident | 200 Ų | 200 | 122.5 Ų | 122.5 | 100% | 1.07 | 63% | 0.633 | S | S | * | * | trans | -113.5 | 0 | 173.7 | -165.2 | 97.7 | 0 | 0 | 0 | 109.8 | N111 | N111-N114 PolarHBondContact O-N 3.34Š|
Retrieved 114 of 114 residues in 183.6 ms
(Link to these results)