| 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 | 41.1 | Very low | 44.8 | Very low | 241 Ų | 241 | 141.2 Ų | 141.2 | 100% | 1.187 | 78% | 0.777 | S | S | * | * | 0 | 80.9 | 0 | -164.7 | 158.6 | 177.5 | 0 | 0 | 106.9 | |||||
| 2 | S | 39.7 | Very low | 44.8 | Very low | 114 Ų | 114 | 138.5 Ų | 138.5 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | trans | -111 | 95.7 | -169 | -56.4 | 0 | 0 | 0 | 0 | 109.2 | V4 | S2-V4 PolarHBondContact O-N 3.27Š| ||
| 3 | S | 42.8 | Very low | 45.4 | Very low | 116 Ų | 116 | 135.2 Ų | 135.2 | 81% | 0.811 | 75% | 0.746 | S | S | * | * | trans | -82.2 | 88.7 | 166.4 | 42.2 | 0 | 0 | 0 | 0 | 108.5 | I5 | S3-I5 VanDerWaalsContact C-N 3.33Å; S3-I5 PolarHBondContact O-N 2.8Å | ||
| 4 | V | 50.6 | Low | 45.8 | Very low | 120 Ų | 120 | 139.4 Ų | 139.4 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | -66.5 | 98.3 | 168.3 | 178.1 | 0 | 0 | 0 | 0 | 107.5 | S2 V6 | S2-V4 PolarHBondContact O-N 3.27Å; V4-V6 PolarHBondContact O-N 2.95Å | ||
| 5 | I | 49.4 | Very low | 46.6 | Very low | 159 Ų | 159 | 135.1 Ų | 135.1 | 82% | 0.815 | 73% | 0.729 | S | S | * | * | trans | -42.3 | 100.7 | 157.8 | 34.5 | 172.3 | 0 | 0 | 0 | 109.4 | S3 A7 | S3-I5 VanDerWaalsContact C-N 3.33Å; S3-I5 PolarHBondContact O-N 2.8Å; I5-A7 PolarHBondContact O-N 2.82Å | ||
| 6 | V | 49.9 | Very low | 47.6 | Very low | 135 Ų | 135 | 130.9 Ų | 130.9 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | trans | -67.1 | 87.2 | 169.9 | 176.3 | 0 | 0 | 0 | 0 | 106.9 | V4 K8 | V4-V6 PolarHBondContact O-N 2.95Å; V6-K8 PolarHBondContact O-N 2.94Å | ||
| 7 | A | 44.8 | Very low | 48.7 | Very low | 77 Ų | 77 | 131.9 Ų | 131.9 | 64% | 0.636 | 71% | 0.712 | S | S | * | * | trans | -60.1 | 104.8 | 171 | 0 | 0 | 0 | 0 | 0 | 108.2 | I5 R9 | I5-A7 PolarHBondContact O-N 2.82Å; A7-R9 VanDerWaalsContact C-N 3.26Å; A7-R9 PolarHBondContact O-N 3.07Å | ||
| 8 | K | 42.1 | Very low | 50 | Low | 166 Ų | 166 | 131.3 Ų | 131.3 | 72% | 0.722 | 71% | 0.713 | S | S | * | * | trans | -62.5 | 89.5 | 169.2 | -171.5 | 178.7 | -177.6 | -122.4 | 0 | 107.7 | V6 E10 | V6-K8 PolarHBondContact O-N 2.94Å; K8-E10 HydrophobicContact CG-CG 4.46Å; K8-E10 IonicContact NZ-OE1 2.72Å; K8-E10 PolarHBondContact NZ-OE1 2.83Å; K8-E10 PolarHBondContact O-N 2.91Å | ||
| 9 | R | 44 | Very low | 51 | Low | 235 Ų | 235 | 126.7 Ų | 126.7 | 89% | 0.887 | 70% | 0.695 | S | S | * | * | trans | -66.3 | 95.6 | 176.5 | -67.1 | -162 | -179.9 | -179.2 | 1.4 | 109 | A7 G11 | A7-R9 VanDerWaalsContact C-N 3.26Å; A7-R9 PolarHBondContact O-N 3.07Å; R9-G11 PolarHBondContact O-N 2.93Å | ||
| 10 | E | 46.5 | Very low | 52 | Low | 144 Ų | 144 | 122.5 Ų | 122.5 | 67% | 0.673 | 67% | 0.673 | S | S | * | * | trans | -77.9 | 77.5 | 166.6 | -54.6 | -143.5 | 146.1 | 0 | 0 | 108.4 | K8 | K8-E10 HydrophobicContact CG-CG 4.46Å; K8-E10 IonicContact NZ-OE1 2.72Å; K8-E10 PolarHBondContact NZ-OE1 2.83Å; K8-E10 PolarHBondContact O-N 2.91Å | ||
| 11 | G | 41.4 | Very low | 53 | Low | 46 Ų | 46 | 125.1 Ų | 125.1 | 47% | 0.474 | 67% | 0.673 | S | S | . | * | trans | -68.2 | 157.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | R9 Q13 | R9-G11 PolarHBondContact O-N 2.93Å; G11-Q13 PolarHBondContact O-N 3.49Å | ||
| 12 | P | 45 | Very low | 54.7 | Low | 109 Ų | 109 | 115.4 Ų | 115.4 | 71% | 0.708 | 63% | 0.634 | S | S | * | * | trans | -52.1 | 132.6 | 176.1 | 23.2 | -32.7 | 0 | 0 | 0 | 108.9 | F14 | P12-F14 VanDerWaalsContact C-N 3.32Å; P12-F14 HydrophobicContact CG-CE2 4.14Å; P12-F14 WeakPolarHBondContact O-CD2 3.46Å; P12-F14 PolarHBondContact O-N 3.43Å | ||
| 13 | Q | 53.5 | Low | 56.5 | Low | 95 Ų | 95 | 113.8 Ų | 113.8 | 44% | 0.444 | 62% | 0.616 | S | S | . | * | trans | -69 | 89.4 | -174.3 | -68.4 | -131.4 | -77.7 | 0 | 0 | 111 | G11 I15 | G11-Q13 PolarHBondContact O-N 3.49Å; Q13-I15 HydrophobicContact CB-CG1 4.5Å; Q13-I15 PolarHBondContact O-N 3.14Å | ||
| 14 | F | 49.9 | Very low | 58.1 | Low | 195 Ų | 195 | 110.2 Ų | 110.2 | 86% | 0.855 | 59% | 0.594 | S | S | * | * | trans | -66.4 | 83.4 | 163.3 | -80 | -87.7 | 0 | 0 | 0 | 108 | P12 S16 | P12-F14 VanDerWaalsContact C-N 3.32Å; P12-F14 HydrophobicContact CG-CE2 4.14Å; P12-F14 WeakPolarHBondContact O-CD2 3.46Å; P12-F14 PolarHBondContact O-N 3.43Å; F14-S16 PolarHBondContact O-N 3.01Å; F14-S16 VanDerWaalsContact O-N 3.12Å | ||
| 15 | I | 58 | Low | 59.5 | Low | 75 Ų | 75 | 106.7 Ų | 106.7 | 39% | 0.385 | 58% | 0.578 | S | S | . | * | trans | -63.9 | 107.6 | 163.6 | -64.6 | -63.7 | 0 | 0 | 0 | 105.2 | Q13 E17 V20 K77 | Q13-I15 HydrophobicContact CB-CG1 4.5Å; Q13-I15 PolarHBondContact O-N 3.14Å; I15-E17 PolarHBondContact O-N 2.78Å; I15-E17 VanDerWaalsContact O-N 3.14Å; I15-V20 HydrophobicContact CG2-CG2 3.1Å; I15-K77 HydrophobicContact CD1-CB 4.21Å; I15-K77 WeakPolarHBondContact CD1-O 3.24Å; I15-K77 WeakPolarHBondContact CG1-O 3.14Å | ||
| 16 | S | 63.4 | Low | 60.9 | Low | 68 Ų | 68 | 105.8 Ų | 105.8 | 48% | 0.476 | 57% | 0.572 | S | S | . | * | trans | -63.6 | 121.6 | 178.6 | 69.7 | 0 | 0 | 0 | 0 | 108.5 | F14 V18 A19 V20 | F14-S16 PolarHBondContact O-N 3.01Å; F14-S16 VanDerWaalsContact O-N 3.12Å; S16-V18 PolarHBondContact O-N 3.12Å; S16-A19 PolarHBondContact O-N 2.99Å; S16-A19 WeakPolarHBondContact OG-CB 3.44Å; S16-A19 PolarHBondContact OG-N 2.94Å; S16-V20 PolarHBondContact O-N 3.23Å; S16-V20 VanDerWaalsContact O-N 3.14Å | ||
| 17 | E | 66.2 | Low | 62.3 | Low | 147 Ų | 147 | 101.4 Ų | 101.4 | 69% | 0.687 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -59.6 | -31.9 | -177.8 | -161.1 | 172.7 | 94.4 | 0 | 0 | 111.1 | I15 V20 R21 | I15-E17 PolarHBondContact O-N 2.78Å; I15-E17 VanDerWaalsContact O-N 3.14Å; E17-V20 PolarHBondContact O-N 3.35Å; E17-R21 WeakPolarHBondContact O-CB 3.11Å; E17-R21 VanDerWaalsContact O-CG 3.28Å; E17-R21 WeakPolarHBondContact O-CG 3.25Å; E17-R21 PolarHBondContact O-N 3.33Å |
| 18 | V | 70.9 | Confident | 64.1 | Low | 122 Ų | 122 | 102.2 Ų | 102.2 | 74% | 0.739 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -58.6 | -45.2 | 170.4 | 167.4 | 0 | 0 | 0 | 0 | 112.4 | S16 R21 G22 | S16-V18 PolarHBondContact O-N 3.12Å; V18-R21 PolarHBondContact O-N 3.14Å; V18-G22 PolarHBondContact O-N 2.72Å |
| 19 | A | 70 | Confident | 66.1 | Low | 43 Ų | 43 | 102.3 Ų | 102.3 | 36% | 0.355 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -70 | -35.3 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | S16 N23 | S16-A19 PolarHBondContact O-N 2.99Å; S16-A19 WeakPolarHBondContact OG-CB 3.44Å; S16-A19 PolarHBondContact OG-N 2.94Å; A19-N23 WeakPolarHBondContact O-CB 3.19Å; A19-N23 PolarHBondContact O-N 2.93Å; A19-N23 PolarHBondContact O-ND2 3.5Å; A19-N23 VanDerWaalsContact O-ND2 3.09Å |
| 20 | V | 70.9 | Confident | 68 | Low | 42 Ų | 42 | 93.9 Ų | 93.9 | 26% | 0.255 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.8 | -46.3 | 175.6 | 177.2 | 0 | 0 | 0 | 0 | 111 | I15 S16 E17 N23 A24 | I15-V20 HydrophobicContact CG2-CG2 3.1Å; S16-V20 PolarHBondContact O-N 3.23Å; S16-V20 VanDerWaalsContact O-N 3.14Å; E17-V20 PolarHBondContact O-N 3.35Å; V20-N23 PolarHBondContact O-N 2.79Å; V20-A24 WeakPolarHBondContact O-CB 3.25Å; V20-A24 PolarHBondContact O-N 2.92Å |
| 21 | R | 72 | Confident | 69.7 | Low | 179 Ų | 179 | 88.5 Ų | 88.5 | 68% | 0.675 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.6 | -41.1 | 177.6 | -70.4 | 177.3 | 70.6 | -172.8 | 0.8 | 112 | E17 V18 A24 A25 | E17-R21 WeakPolarHBondContact O-CB 3.11Å; E17-R21 VanDerWaalsContact O-CG 3.28Å; E17-R21 WeakPolarHBondContact O-CG 3.25Å; E17-R21 PolarHBondContact O-N 3.33Å; V18-R21 PolarHBondContact O-N 3.14Å; R21-A24 PolarHBondContact O-N 3.34Å; R21-A25 PolarHBondContact O-N 2.91Å |
| 22 | G | 78 | Confident | 71.8 | Confident | 36 Ų | 36 | 89.2 Ų | 89.2 | 37% | 0.371 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.6 | -44 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V18 A24 A25 M26 | V18-G22 PolarHBondContact O-N 2.72Å; G22-A24 VanDerWaalsContact C-N 3.34Å; G22-A24 PolarHBondContact O-N 3.14Å; G22-A25 PolarHBondContact O-N 3.37Å; G22-M26 WeakPolarHBondContact O-CG 3.01Å; G22-M26 PolarHBondContact O-N 3.19Å |
| 23 | N | 77.7 | Confident | 73.9 | Confident | 80 Ų | 80 | 87.1 Ų | 87.1 | 43% | 0.428 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.9 | -40 | 174.7 | -69.3 | -25.7 | 0 | 0 | 0 | 111.8 | A19 V20 A25 M26 L27 | A19-N23 WeakPolarHBondContact O-CB 3.19Å; A19-N23 PolarHBondContact O-N 2.93Å; A19-N23 PolarHBondContact O-ND2 3.5Å; A19-N23 VanDerWaalsContact O-ND2 3.09Å; V20-N23 PolarHBondContact O-N 2.79Å; N23-A25 PolarHBondContact O-N 2.75Å; N23-M26 PolarHBondContact O-N 3.4Å; N23-L27 VanDerWaalsContact O-CG 3.24Å; N23-L27 WeakPolarHBondContact O-CG 3.28Å; N23-L27 PolarHBondContact O-N 3.14Å |
| 24 | A | 75.8 | Confident | 75.7 | Confident | 41 Ų | 41 | 84.5 Ų | 84.5 | 34% | 0.339 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.2 | -43.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | V20 R21 G22 L27 D28 | V20-A24 WeakPolarHBondContact O-CB 3.25Å; V20-A24 PolarHBondContact O-N 2.92Å; R21-A24 PolarHBondContact O-N 3.34Å; G22-A24 VanDerWaalsContact C-N 3.34Å; G22-A24 PolarHBondContact O-N 3.14Å; A24-L27 WeakPolarHBondContact O-CB 3.45Å; A24-L27 PolarHBondContact O-N 3.25Å; A24-D28 PolarHBondContact O-N 2.77Å; A24-D28 VanDerWaalsContact O-N 3.11Å |
| 25 | A | 79.9 | Confident | 77.6 | Confident | 47 Ų | 47 | 75.6 Ų | 75.6 | 39% | 0.388 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.8 | -46 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | R21 G22 N23 L27 D28 Y29 | R21-A25 PolarHBondContact O-N 2.91Å; G22-A25 PolarHBondContact O-N 3.37Å; N23-A25 PolarHBondContact O-N 2.75Å; A25-L27 VanDerWaalsContact C-N 3.28Å; A25-L27 PolarHBondContact O-N 2.88Å; A25-D28 WeakPolarHBondContact O-CB 3.43Å; A25-D28 PolarHBondContact O-N 3.06Å; A25-D28 VanDerWaalsContact O-N 3.14Å; A25-Y29 HydrophobicContact CB-CE2 4.42Å; A25-Y29 WeakPolarHBondContact O-CD2 3.08Å; A25-Y29 PolarHBondContact O-N 2.93Å; A25-Y29 VanDerWaalsContact O-N 3.08Å |
| 26 | M | 79.7 | Confident | 79.1 | Confident | 140 Ų | 140 | 73 Ų | 73 | 69% | 0.69 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -58.4 | -38.8 | 176.2 | -72.1 | -85.1 | 172.6 | 0 | 0 | 112.6 | G22 N23 C30 | G22-M26 WeakPolarHBondContact O-CG 3.01Å; G22-M26 PolarHBondContact O-N 3.19Å; N23-M26 PolarHBondContact O-N 3.4Å; M26-C30 WeakPolarHBondContact O-CB 3.39Å; M26-C30 PolarHBondContact O-N 3.18Å |
| 27 | L | 78.9 | Confident | 80.4 | Confident | 43 Ų | 43 | 75.2 Ų | 75.2 | 23% | 0.225 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -65 | -41.1 | 176.3 | -71 | 172.8 | 0 | 0 | 0 | 111.9 | N23 A24 A25 C30 R31 L67 F79 L85 | N23-L27 VanDerWaalsContact O-CG 3.24Å; N23-L27 WeakPolarHBondContact O-CG 3.28Å; N23-L27 PolarHBondContact O-N 3.14Å; A24-L27 WeakPolarHBondContact O-CB 3.45Å; A24-L27 PolarHBondContact O-N 3.25Å; A25-L27 VanDerWaalsContact C-N 3.28Å; A25-L27 PolarHBondContact O-N 2.88Å; L27-C30 PolarHBondContact O-N 2.91Å; L27-R31 WeakPolarHBondContact O-CB 3.16Å; L27-R31 PolarHBondContact O-N 2.82Å; L27-L67 HydrophobicContact CD2-CD1 3.85Å; L27-L67 HydrophobicContact CD2-CD2 3.13Å; L27-L67 HydrophobicContact CD2-CG 4.08Å; L27-F79 HydrophobicContact CD1-CZ 4.11Å; L27-L85 HydrophobicContact CD1-CD2 3.92Å |
| 28 | D | 81.6 | Confident | 81.6 | Confident | 93 Ų | 93 | 68.7 Ų | 68.7 | 50% | 0.497 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.7 | -44.9 | 178.8 | -152 | -61.5 | 0 | 0 | 0 | 111.6 | A24 A25 C30 R31 T32 | A24-D28 PolarHBondContact O-N 2.77Å; A24-D28 VanDerWaalsContact O-N 3.11Å; A25-D28 WeakPolarHBondContact O-CB 3.43Å; A25-D28 PolarHBondContact O-N 3.06Å; A25-D28 VanDerWaalsContact O-N 3.14Å; D28-C30 PolarHBondContact O-N 3.12Å; D28-R31 WeakPolarHBondContact O-CB 3.42Å; D28-R31 PolarHBondContact O-N 3.36Å; D28-T32 PolarHBondContact O-N 2.85Å; D28-T32 PolarHBondContact O-OG1 3.48Å |
| 29 | Y | 84.8 | Confident | 82.5 | Confident | 168 Ų | 168 | 62.9 Ų | 62.9 | 66% | 0.659 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -58 | -51 | 173.2 | -72.3 | -61.7 | 0 | 0 | 0 | 112.1 | A25 R31 T32 S33 | A25-Y29 HydrophobicContact CB-CE2 4.42Å; A25-Y29 WeakPolarHBondContact O-CD2 3.08Å; A25-Y29 PolarHBondContact O-N 2.93Å; A25-Y29 VanDerWaalsContact O-N 3.08Å; Y29-R31 PolarHBondContact O-N 3.46Å; Y29-T32 PolarHBondContact O-N 3.49Å; Y29-T32 VanDerWaalsContact O-N 3.16Å; Y29-S33 PolarHBondContact O-N 2.83Å; Y29-S33 PolarHBondContact O-OG 3.43Å |
| 30 | C | 84.3 | Confident | 83.5 | Confident | 58 Ų | 58 | 61.7 Ų | 61.7 | 39% | 0.392 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59 | -37.5 | -179.1 | -164.1 | 0 | 0 | 0 | 0 | 111.5 | M26 L27 D28 S33 V34 | M26-C30 WeakPolarHBondContact O-CB 3.39Å; M26-C30 PolarHBondContact O-N 3.18Å; L27-C30 PolarHBondContact O-N 2.91Å; D28-C30 PolarHBondContact O-N 3.12Å; C30-S33 PolarHBondContact O-N 3.37Å; C30-V34 WeakPolarHBondContact O-CB 3.4Å; C30-V34 WeakPolarHBondContact O-CG2 3.44Å; C30-V34 PolarHBondContact O-N 3.2Å |
| 31 | R | 81.3 | Confident | 84.4 | Confident | 32 Ų | 32 | 62.8 Ų | 62.8 | 12% | 0.121 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.5 | -42.9 | 177.7 | -168 | 175.4 | -151.3 | 176.1 | 9.9 | 112.8 | L27 D28 Y29 V34 S35 L63 L85 F86 G89 | L27-R31 WeakPolarHBondContact O-CB 3.16Å; L27-R31 PolarHBondContact O-N 2.82Å; D28-R31 WeakPolarHBondContact O-CB 3.42Å; D28-R31 PolarHBondContact O-N 3.36Å; Y29-R31 PolarHBondContact O-N 3.46Å; R31-V34 PolarHBondContact O-N 2.77Å; R31-S35 WeakPolarHBondContact O-CB 3.37Å; R31-S35 PolarHBondContact O-N 3.44Å; R31-S35 PolarHBondContact O-OG 3.05Å; R31-L63 HydrophobicContact CB-CD2 3.8Å; R31-L63 HydrophobicContact CG-CD2 3.56Å; R31-L85 PolarHBondContact NH1-O 2.94Å; R31-L85 PolarHBondContact NH2-O 3.49Å; R31-F86 PolarHBondContact NH2-O 2.91Å; R31-G89 VanDerWaalsContact NH1-C 3.34Å; R31-G89 VanDerWaalsContact NH1-N 3.18Å |
| 32 | T | 86.9 | Confident | 85.2 | Confident | 61 Ų | 61 | 54.3 Ų | 54.3 | 37% | 0.374 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 174.9 | -60.1 | 0 | 0 | 0 | 0 | 110.5 | D28 Y29 S35 A36 | D28-T32 PolarHBondContact O-N 2.85Å; D28-T32 PolarHBondContact O-OG1 3.48Å; Y29-T32 PolarHBondContact O-N 3.49Å; Y29-T32 VanDerWaalsContact O-N 3.16Å; T32-S35 PolarHBondContact O-N 2.7Å; T32-A36 PolarHBondContact O-N 3.43Å |
| 33 | S | 88.9 | Confident | 85.6 | Confident | 65 Ų | 65 | 52.6 Ų | 52.6 | 46% | 0.455 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.4 | -45.7 | 176.8 | -51.7 | 0 | 0 | 0 | 0 | 112.5 | Y29 C30 S35 A36 L37 | Y29-S33 PolarHBondContact O-N 2.83Å; Y29-S33 PolarHBondContact O-OG 3.43Å; C30-S33 PolarHBondContact O-N 3.37Å; S33-S35 VanDerWaalsContact C-N 3.33Å; S33-S35 PolarHBondContact O-N 2.89Å; S33-A36 PolarHBondContact O-N 2.89Å; S33-L37 WeakPolarHBondContact O-CB 3.42Å; S33-L37 VanDerWaalsContact O-CG 3.29Å; S33-L37 WeakPolarHBondContact O-CG 3.49Å; S33-L37 PolarHBondContact O-N 3.43Å |
| 34 | V | 89.5 | Confident | 86 | Confident | 40 Ų | 40 | 53.4 Ų | 53.4 | 24% | 0.242 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66 | -35.9 | 177.9 | 167.7 | 0 | 0 | 0 | 0 | 111.7 | C30 R31 L37 S38 L63 | C30-V34 WeakPolarHBondContact O-CB 3.4Å; C30-V34 WeakPolarHBondContact O-CG2 3.44Å; C30-V34 PolarHBondContact O-N 3.2Å; R31-V34 PolarHBondContact O-N 2.77Å; V34-L37 PolarHBondContact O-N 3.38Å; V34-S38 VanDerWaalsContact O-CB 3.29Å; V34-S38 WeakPolarHBondContact O-CB 3.47Å; V34-S38 PolarHBondContact O-N 3.23Å; V34-S38 PolarHBondContact O-OG 3.11Å; V34-L63 HydrophobicContact CB-CD1 4.44Å; V34-L63 HydrophobicContact CG1-CB 4.44Å; V34-L63 HydrophobicContact CG2-CD1 4.06Å |
| 35 | S | 90.1 | Very high | 86.4 | Confident | 7 Ų | 7 | 56.7 Ų | 56.7 | 5% | 0.049 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.5 | -42.7 | 175 | -57.3 | 0 | 0 | 0 | 0 | 111.5 | R31 T32 S33 S38 G39 G93 | R31-S35 WeakPolarHBondContact O-CB 3.37Å; R31-S35 PolarHBondContact O-N 3.44Å; R31-S35 PolarHBondContact O-OG 3.05Å; T32-S35 PolarHBondContact O-N 2.7Å; S33-S35 VanDerWaalsContact C-N 3.33Å; S33-S35 PolarHBondContact O-N 2.89Å; S35-S38 PolarHBondContact O-OG 2.99Å; S35-S38 VanDerWaalsContact O-OG 3.11Å; S35-G39 PolarHBondContact O-N 3.33Å; S35-G93 VanDerWaalsContact CB-O 3.31Å; S35-G93 WeakPolarHBondContact CB-O 3.36Å; S35-G93 WeakPolarHBondContact OG-CA 3.24Å |
| 36 | A | 90.4 | Very high | 86.4 | Confident | 20 Ų | 20 | 55.1 Ų | 55.1 | 17% | 0.165 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.2 | -46.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T32 S33 G39 A40 T96 F100 | T32-A36 PolarHBondContact O-N 3.43Å; S33-A36 PolarHBondContact O-N 2.89Å; A36-G39 PolarHBondContact O-N 3.3Å; A36-A40 WeakPolarHBondContact O-CB 3.17Å; A36-A40 PolarHBondContact O-N 3.25Å; A36-T96 HydrophobicContact CB-CG2 4.08Å; A36-F100 HydrophobicContact CB-CD2 3.87Å; A36-F100 HydrophobicContact CB-CE2 3.79Å; A36-F100 HydrophobicContact CB-CG 4.42Å; A36-F100 HydrophobicContact CB-CZ 4.29Å |
| 37 | L | 90.9 | Very high | 86.2 | Confident | 115 Ų | 115 | 51 Ų | 51 | 60% | 0.602 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -63.7 | -43.1 | 179.5 | -73.1 | 169.9 | 0 | 0 | 0 | 112.5 | S33 V34 A40 T41 | S33-L37 WeakPolarHBondContact O-CB 3.42Å; S33-L37 VanDerWaalsContact O-CG 3.29Å; S33-L37 WeakPolarHBondContact O-CG 3.49Å; S33-L37 PolarHBondContact O-N 3.43Å; V34-L37 PolarHBondContact O-N 3.38Å; L37-A40 PolarHBondContact O-N 2.82Å; L37-T41 PolarHBondContact O-N 3.49Å; L37-T41 PolarHBondContact O-OG1 2.94Å |
| 38 | S | 91.4 | Very high | 86.3 | Confident | 10 Ų | 10 | 52.7 Ų | 52.7 | 7% | 0.07 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.5 | -39.2 | 176.7 | 56.3 | 0 | 0 | 0 | 0 | 111.9 | V34 S35 A40 T41 A42 F55 | V34-S38 VanDerWaalsContact O-CB 3.29Å; V34-S38 WeakPolarHBondContact O-CB 3.47Å; V34-S38 PolarHBondContact O-N 3.23Å; V34-S38 PolarHBondContact O-OG 3.11Å; S35-S38 PolarHBondContact O-OG 2.99Å; S35-S38 VanDerWaalsContact O-OG 3.11Å; S38-A40 VanDerWaalsContact C-N 3.33Å; S38-A40 PolarHBondContact O-N 3.41Å; S38-T41 PolarHBondContact O-N 3.16Å; S38-A42 WeakPolarHBondContact O-CB 3.5Å; S38-A42 PolarHBondContact O-N 3.14Å; S38-F55 WeakPolarHBondContact O-CE1 3.36Å |
| 39 | G | 90 | Very high | 86.1 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.8 | -42.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S35 A36 A42 G43 W101 | S35-G39 PolarHBondContact O-N 3.33Å; A36-G39 PolarHBondContact O-N 3.3Å; G39-A42 PolarHBondContact O-N 3.34Å; G39-G43 PolarHBondContact O-N 3.5Å; G39-W101 WeakPolarHBondContact O-CA 3.35Å |
| 40 | A | 90.8 | Very high | 85.8 | Confident | 19 Ų | 19 | 49.5 Ų | 49.5 | 16% | 0.157 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.5 | -44.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | A36 L37 S38 G43 I44 L104 | A36-A40 WeakPolarHBondContact O-CB 3.17Å; A36-A40 PolarHBondContact O-N 3.25Å; L37-A40 PolarHBondContact O-N 2.82Å; S38-A40 VanDerWaalsContact C-N 3.33Å; S38-A40 PolarHBondContact O-N 3.41Å; A40-G43 PolarHBondContact O-N 3.09Å; A40-I44 WeakPolarHBondContact O-CD1 3.49Å; A40-I44 VanDerWaalsContact O-CG1 3.25Å; A40-I44 WeakPolarHBondContact O-CG1 3.16Å; A40-I44 PolarHBondContact O-N 2.99Å; A40-L104 HydrophobicContact CB-CD1 3.31Å |
| 41 | T | 89.9 | Confident | 85.8 | Confident | 65 Ų | 65 | 54.7 Ų | 54.7 | 40% | 0.399 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.8 | -42.4 | 178.9 | -51.3 | 0 | 0 | 0 | 0 | 111.1 | L37 S38 G43 I44 L45 F55 | L37-T41 PolarHBondContact O-N 3.49Å; L37-T41 PolarHBondContact O-OG1 2.94Å; S38-T41 PolarHBondContact O-N 3.16Å; T41-G43 VanDerWaalsContact C-N 3.34Å; T41-I44 PolarHBondContact O-N 3.35Å; T41-L45 HydrophobicContact CG2-CD1 3.95Å; T41-L45 WeakPolarHBondContact O-CB 3.39Å; T41-L45 WeakPolarHBondContact O-CG 3.49Å; T41-L45 PolarHBondContact O-N 3.29Å; T41-F55 HydrophobicContact CG2-CE1 4.49Å; T41-F55 HydrophobicContact CG2-CZ 4.11Å |
| 42 | A | 89.4 | Confident | 85.9 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65 | -36.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S38 G39 G46 L47 F55 Y97 W101 | S38-A42 WeakPolarHBondContact O-CB 3.5Å; S38-A42 PolarHBondContact O-N 3.14Å; G39-A42 PolarHBondContact O-N 3.34Å; A42-G46 PolarHBondContact O-N 3.06Å; A42-L47 PolarHBondContact O-N 3.44Å; A42-F55 HydrophobicContact CB-CD1 4.04Å; A42-Y97 HydrophobicContact CB-CE2 4.24Å; A42-Y97 VanDerWaalsContact CB-OH 3.24Å; A42-Y97 WeakPolarHBondContact CB-OH 3.46Å; A42-W101 HydrophobicContact CB-CG 4.47Å |
| 43 | G | 86.2 | Confident | 85.7 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.6 | -45.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | G39 A40 T41 G46 | G39-G43 PolarHBondContact O-N 3.5Å; A40-G43 PolarHBondContact O-N 3.09Å; T41-G43 VanDerWaalsContact C-N 3.34Å; G43-G46 PolarHBondContact O-N 3.35Å |
| 44 | I | 85.6 | Confident | 85.6 | Confident | 98 Ų | 98 | 56.4 Ų | 56.4 | 50% | 0.503 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.2 | -39.8 | 177.7 | -65.3 | 163.4 | 0 | 0 | 0 | 111.3 | A40 T41 G46 | A40-I44 WeakPolarHBondContact O-CD1 3.49Å; A40-I44 VanDerWaalsContact O-CG1 3.25Å; A40-I44 WeakPolarHBondContact O-CG1 3.16Å; A40-I44 PolarHBondContact O-N 2.99Å; T41-I44 PolarHBondContact O-N 3.35Å; I44-G46 PolarHBondContact O-N 3Å |
| 45 | L | 84.3 | Confident | 85.5 | Confident | 109 Ų | 109 | 57.3 Ų | 57.3 | 57% | 0.571 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -9.5 | 177.8 | -75.7 | 167.6 | 0 | 0 | 0 | 113.5 | T41 L47 | T41-L45 HydrophobicContact CG2-CD1 3.95Å; T41-L45 WeakPolarHBondContact O-CB 3.39Å; T41-L45 WeakPolarHBondContact O-CG 3.49Å; T41-L45 PolarHBondContact O-N 3.29Å; L45-L47 VanDerWaalsContact C-N 3.25Å; L45-L47 HydrophobicContact CB-CD1 3.68Å; L45-L47 HydrophobicContact CB-CG 4.09Å; L45-L47 HydrophobicContact CD1-CD1 3.84Å; L45-L47 HydrophobicContact CG-CD1 4.42Å; L45-L47 PolarHBondContact O-N 3.08Å |
| 46 | G | 79.4 | Confident | 85.3 | Confident | 15 Ų | 15 | 57.4 Ų | 57.4 | 16% | 0.155 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | 17.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | A42 G43 I44 T48 H109 | A42-G46 PolarHBondContact O-N 3.06Å; G43-G46 PolarHBondContact O-N 3.35Å; I44-G46 PolarHBondContact O-N 3Å; G46-T48 PolarHBondContact O-N 2.98Å; G46-T48 VanDerWaalsContact O-N 3.14Å; G46-H109 WeakPolarHBondContact CA-NE2 3.24Å |
| 47 | L | 76.4 | Confident | 85.1 | Confident | 52 Ų | 52 | 63 Ų | 63 | 27% | 0.272 | 33% | 0.332 | S | S | . | . | trans | -69.1 | 113.1 | -176.1 | -74.2 | 149 | 0 | 0 | 0 | 109.4 | A42 L45 Y51 W101 | A42-L47 PolarHBondContact O-N 3.44Å; L45-L47 VanDerWaalsContact C-N 3.25Å; L45-L47 HydrophobicContact CB-CD1 3.68Å; L45-L47 HydrophobicContact CB-CG 4.09Å; L45-L47 HydrophobicContact CD1-CD1 3.84Å; L45-L47 HydrophobicContact CG-CD1 4.42Å; L45-L47 PolarHBondContact O-N 3.08Å; L47-Y51 HydrophobicContact CD2-CG 4.43Å; L47-W101 VanDerWaalsContact O-CE2 3.29Å; L47-W101 WeakPolarHBondContact O-CZ2 3.18Å; L47-W101 PolarHBondContact O-NE1 2.95Å | ||
| 48 | T | 80.1 | Confident | 84.9 | Confident | 80 Ų | 80 | 62.4 Ų | 62.4 | 49% | 0.491 | 33% | 0.329 | S | S | . | . | trans | -101.3 | 152.1 | -178.4 | 52.9 | 0 | 0 | 0 | 0 | 112.6 | G46 L50 Y105 | G46-T48 PolarHBondContact O-N 2.98Å; G46-T48 VanDerWaalsContact O-N 3.14Å; T48-L50 PolarHBondContact O-N 3.34Å; T48-Y105 HydrophobicContact CG2-CD2 4.44Å; T48-Y105 HydrophobicContact CG2-CE1 4.45Å; T48-Y105 HydrophobicContact CG2-CE2 3.52Å; T48-Y105 WeakPolarHBondContact CG2-OH 3.25Å | ||
| 49 | G | 76.6 | Confident | 84.7 | Confident | 52 Ų | 52 | 62.6 Ų | 62.6 | 54% | 0.536 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | -126.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y51 | G49-Y51 PolarHBondContact O-N 3.2Š|
| 50 | L | 79.9 | Confident | 84.4 | Confident | 141 Ų | 141 | 63.4 Ų | 63.4 | 74% | 0.738 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -68.1 | -31 | -172.9 | -72.3 | 166.9 | 0 | 0 | 0 | 113.4 | T48 G52 F53 I54 | T48-L50 PolarHBondContact O-N 3.34Å; L50-G52 PolarHBondContact O-N 3.49Å; L50-F53 WeakPolarHBondContact O-CB 3.38Å; L50-F53 PolarHBondContact O-N 3.14Å; L50-F53 VanDerWaalsContact O-N 3.14Å; L50-I54 WeakPolarHBondContact O-CG1 3.47Å; L50-I54 PolarHBondContact O-N 3.28Å |
| 51 | Y | 83.7 | Confident | 84.1 | Confident | 167 Ų | 167 | 68.6 Ų | 68.6 | 66% | 0.655 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -66.3 | -38.4 | -178.4 | -71.7 | -75.6 | 0 | 0 | 0 | 112.6 | L47 G49 F53 I54 F55 | L47-Y51 HydrophobicContact CD2-CG 4.43Å; G49-Y51 PolarHBondContact O-N 3.2Å; Y51-F53 VanDerWaalsContact C-N 3.29Å; Y51-F53 PolarHBondContact O-N 3.26Å; Y51-I54 PolarHBondContact O-N 3.46Å; Y51-F55 PolarHBondContact O-N 3.4Å |
| 52 | G | 83.1 | Confident | 83.9 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.6 | -37.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L50 F55 Y56 Y97 | L50-G52 PolarHBondContact O-N 3.49Å; G52-F55 PolarHBondContact O-N 2.94Å; G52-Y56 PolarHBondContact O-N 3.48Å; G52-Y97 PolarHBondContact O-OH 2.86Å |
| 53 | F | 83 | Confident | 83.6 | Confident | 94 Ų | 94 | 70.7 Ų | 70.7 | 41% | 0.412 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67 | -40.9 | 177.2 | -133.5 | -89.4 | 0 | 0 | 0 | 112.3 | L50 Y51 F55 Y56 F57 L94 | L50-F53 WeakPolarHBondContact O-CB 3.38Å; L50-F53 PolarHBondContact O-N 3.14Å; L50-F53 VanDerWaalsContact O-N 3.14Å; Y51-F53 VanDerWaalsContact C-N 3.29Å; Y51-F53 PolarHBondContact O-N 3.26Å; F53-F55 VanDerWaalsContact C-N 3.3Å; F53-F55 PolarHBondContact O-N 3.37Å; F53-Y56 WeakPolarHBondContact O-CB 3.48Å; F53-Y56 PolarHBondContact O-N 3.35Å; F53-F57 HydrophobicContact CD1-CD2 4.19Å; F53-F57 AromaticContact CD1-CE2 3.81Å; F53-F57 HydrophobicContact CD1-CE2 3.81Å; F53-F57 AromaticContact CE1-CE2 3.93Å; F53-F57 HydrophobicContact CE1-CE2 3.93Å; F53-F57 WeakPolarHBondContact O-CD2 3.47Å; F53-F57 PolarHBondContact O-N 2.87Å; F53-L94 HydrophobicContact CZ-CD1 4.15Å |
| 54 | I | 87.5 | Confident | 83.2 | Confident | 101 Ų | 101 | 71.5 Ų | 71.5 | 52% | 0.518 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.6 | -39.7 | 174.8 | -65.3 | 164.6 | 0 | 0 | 0 | 110.6 | L50 Y51 Y56 F57 L58 | L50-I54 WeakPolarHBondContact O-CG1 3.47Å; L50-I54 PolarHBondContact O-N 3.28Å; Y51-I54 PolarHBondContact O-N 3.46Å; I54-Y56 VanDerWaalsContact C-N 3.31Å; I54-Y56 PolarHBondContact O-N 3.31Å; I54-F57 PolarHBondContact O-N 2.84Å; I54-L58 PolarHBondContact O-N 3Å |
| 55 | F | 87.2 | Confident | 83 | Confident | 58 Ų | 58 | 70.5 Ų | 70.5 | 25% | 0.254 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.8 | -38.6 | 178.1 | -164.2 | -100.9 | 0 | 0 | 0 | 112.4 | S38 T41 A42 Y51 G52 F53 L58 A59 Y97 | S38-F55 WeakPolarHBondContact O-CE1 3.36Å; T41-F55 HydrophobicContact CG2-CE1 4.49Å; T41-F55 HydrophobicContact CG2-CZ 4.11Å; A42-F55 HydrophobicContact CB-CD1 4.04Å; Y51-F55 PolarHBondContact O-N 3.4Å; G52-F55 PolarHBondContact O-N 2.94Å; F53-F55 VanDerWaalsContact C-N 3.3Å; F53-F55 PolarHBondContact O-N 3.37Å; F55-L58 PolarHBondContact O-N 3.5Å; F55-A59 WeakPolarHBondContact O-CB 3.03Å; F55-A59 PolarHBondContact O-N 2.81Å; F55-Y97 HydrophobicContact CD1-CE2 4.49Å |
| 56 | Y | 86.3 | Confident | 82.9 | Confident | 10 Ų | 10 | 69.8 Ų | 69.8 | 4% | 0.039 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63 | -42.9 | 173.9 | 178.2 | -98.4 | 0 | 0 | 0 | 112.9 | G52 F53 I54 L58 A59 S60 L90 L94 Y97 | G52-Y56 PolarHBondContact O-N 3.48Å; F53-Y56 WeakPolarHBondContact O-CB 3.48Å; F53-Y56 PolarHBondContact O-N 3.35Å; I54-Y56 VanDerWaalsContact C-N 3.31Å; I54-Y56 PolarHBondContact O-N 3.31Å; Y56-L58 VanDerWaalsContact C-N 3.31Å; Y56-L58 PolarHBondContact O-N 3.4Å; Y56-A59 PolarHBondContact O-N 2.84Å; Y56-S60 WeakPolarHBondContact O-CB 3.37Å; Y56-S60 PolarHBondContact O-N 3.3Å; Y56-S60 PolarHBondContact O-OG 3.18Å; Y56-S60 VanDerWaalsContact O-OG 3.05Å; Y56-L90 HydrophobicContact CE1-CD2 4.11Å; Y56-L90 PolarHBondContact OH-O 3.35Å; Y56-L94 HydrophobicContact CD1-CD1 3.57Å; Y56-L94 HydrophobicContact CD2-CD1 4.46Å; Y56-L94 HydrophobicContact CE1-CB 4.39Å; Y56-L94 HydrophobicContact CE1-CD1 3.45Å; Y56-L94 VanDerWaalsContact CE1-CD1 3.45Å; Y56-L94 HydrophobicContact CE2-CD1 4.35Å; Y56-L94 HydrophobicContact CG-CD1 4.09Å; Y56-L94 PolarHBondContact OH-N 2.99Å; Y56-Y97 AromaticContact CD2-CD1 3.89Å; Y56-Y97 HydrophobicContact CD2-CD1 3.89Å; Y56-Y97 AromaticContact CD2-CD2 3.73Å; Y56-Y97 HydrophobicContact CD2-CD2 3.73Å; Y56-Y97 HydrophobicContact CD2-CE2 4.36Å; Y56-Y97 AromaticContact CD2-CG 3.49Å; Y56-Y97 HydrophobicContact CD2-CG 3.49Å; Y56-Y97 VanDerWaalsContact CD2-CG 3.49Å; Y56-Y97 HydrophobicContact CE2-CG 4.19Å; Y56-Y97 HydrophobicContact CG-CD1 4.25Å; Y56-Y97 HydrophobicContact CG-CG 4.27Å |
| 57 | F | 84.8 | Confident | 82.7 | Confident | 137 Ų | 137 | 71.7 Ų | 71.7 | 60% | 0.601 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -62 | -41.4 | 174.2 | -87.2 | -78.4 | 0 | 0 | 0 | 111.6 | F53 I54 S60 F61 | F53-F57 HydrophobicContact CD1-CD2 4.19Å; F53-F57 AromaticContact CD1-CE2 3.81Å; F53-F57 HydrophobicContact CD1-CE2 3.81Å; F53-F57 AromaticContact CE1-CE2 3.93Å; F53-F57 HydrophobicContact CE1-CE2 3.93Å; F53-F57 WeakPolarHBondContact O-CD2 3.47Å; F53-F57 PolarHBondContact O-N 2.87Å; I54-F57 PolarHBondContact O-N 2.84Å; F57-S60 PolarHBondContact O-N 3.28Å; F57-F61 WeakPolarHBondContact O-CB 3.43Å; F57-F61 PolarHBondContact O-N 2.71Å |
| 58 | L | 88.4 | Confident | 82.5 | Confident | 102 Ų | 102 | 72.9 Ų | 72.9 | 53% | 0.534 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.1 | -44.2 | 177.2 | -161.7 | 68.5 | 0 | 0 | 0 | 111.4 | I54 F55 Y56 S60 F61 L62 | I54-L58 PolarHBondContact O-N 3Å; F55-L58 PolarHBondContact O-N 3.5Å; Y56-L58 VanDerWaalsContact C-N 3.31Å; Y56-L58 PolarHBondContact O-N 3.4Å; L58-S60 PolarHBondContact O-N 2.86Å; L58-F61 WeakPolarHBondContact O-CB 3.43Å; L58-F61 PolarHBondContact O-N 2.89Å; L58-L62 WeakPolarHBondContact O-CB 3.34Å; L58-L62 PolarHBondContact O-N 3.21Å |
| 59 | A | 87.3 | Confident | 82.2 | Confident | 15 Ų | 15 | 74.5 Ų | 74.5 | 12% | 0.124 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.1 | -40.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F55 Y56 F61 L62 L63 | F55-A59 WeakPolarHBondContact O-CB 3.03Å; F55-A59 PolarHBondContact O-N 2.81Å; Y56-A59 PolarHBondContact O-N 2.84Å; A59-F61 VanDerWaalsContact C-N 3.34Å; A59-L62 PolarHBondContact O-N 2.95Å; A59-L63 WeakPolarHBondContact O-CB 3.48Å; A59-L63 PolarHBondContact O-N 3.3Å |
| 60 | S | 83.1 | Confident | 81.9 | Confident | 16 Ų | 16 | 80.7 Ų | 80.7 | 11% | 0.112 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63.8 | -39.3 | 174.4 | -68.8 | 0 | 0 | 0 | 0 | 112.2 | Y56 F57 L58 S64 L90 | Y56-S60 WeakPolarHBondContact O-CB 3.37Å; Y56-S60 PolarHBondContact O-N 3.3Å; Y56-S60 PolarHBondContact O-OG 3.18Å; Y56-S60 VanDerWaalsContact O-OG 3.05Å; F57-S60 PolarHBondContact O-N 3.28Å; L58-S60 PolarHBondContact O-N 2.86Å; S60-S64 WeakPolarHBondContact O-CB 3.16Å; S60-S64 PolarHBondContact O-N 3.45Å; S60-S64 PolarHBondContact O-OG 2.78Å; S60-L90 WeakPolarHBondContact OG-CD2 3.44Å |
| 61 | F | 84.2 | Confident | 81.2 | Confident | 129 Ų | 129 | 75.7 Ų | 75.7 | 57% | 0.566 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -67 | -42.5 | 173.6 | -173.3 | -100.1 | 0 | 0 | 0 | 111.4 | F57 L58 A59 S64 L65 | F57-F61 WeakPolarHBondContact O-CB 3.43Å; F57-F61 PolarHBondContact O-N 2.71Å; L58-F61 WeakPolarHBondContact O-CB 3.43Å; L58-F61 PolarHBondContact O-N 2.89Å; A59-F61 VanDerWaalsContact C-N 3.34Å; F61-S64 CarbonylContact O-C 3.59Å; F61-S64 WeakPolarHBondContact O-CB 3.5Å; F61-S64 PolarHBondContact O-N 2.88Å; F61-L65 WeakPolarHBondContact O-CB 3.49Å; F61-L65 PolarHBondContact O-N 3.16Å |
| 62 | L | 86.1 | Confident | 79.7 | Confident | 97 Ų | 97 | 71.7 Ų | 71.7 | 51% | 0.508 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.8 | -45.5 | 178.2 | -147.9 | 97.7 | 0 | 0 | 0 | 111.4 | L58 A59 S64 L65 L66 | L58-L62 WeakPolarHBondContact O-CB 3.34Å; L58-L62 PolarHBondContact O-N 3.21Å; A59-L62 PolarHBondContact O-N 2.95Å; L62-S64 VanDerWaalsContact C-N 3.3Å; L62-S64 PolarHBondContact O-N 3.44Å; L62-L65 WeakPolarHBondContact O-CB 3.34Å; L62-L65 PolarHBondContact O-N 2.97Å; L62-L66 HydrophobicContact CD2-CD1 4.46Å; L62-L66 WeakPolarHBondContact O-CB 3.4Å; L62-L66 VanDerWaalsContact O-CG 3.3Å; L62-L66 WeakPolarHBondContact O-CG 3.3Å; L62-L66 PolarHBondContact O-N 3.37Å |
| 63 | L | 83.1 | Confident | 78.3 | Confident | 12 Ų | 12 | 83.3 Ų | 83.3 | 6% | 0.063 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -57.3 | -47.7 | 173.2 | -178.6 | 70 | 0 | 0 | 0 | 110.1 | R31 V34 A59 L65 L66 L67 | R31-L63 HydrophobicContact CB-CD2 3.8Å; R31-L63 HydrophobicContact CG-CD2 3.56Å; V34-L63 HydrophobicContact CB-CD1 4.44Å; V34-L63 HydrophobicContact CG1-CB 4.44Å; V34-L63 HydrophobicContact CG2-CD1 4.06Å; A59-L63 WeakPolarHBondContact O-CB 3.48Å; A59-L63 PolarHBondContact O-N 3.3Å; L63-L65 VanDerWaalsContact C-N 3.3Å; L63-L65 PolarHBondContact O-N 3.48Å; L63-L66 PolarHBondContact O-N 2.95Å; L63-L67 HydrophobicContact CG-CD1 4.39Å; L63-L67 HydrophobicContact CG-CG 4.49Å; L63-L67 VanDerWaalsContact O-CG 3.25Å; L63-L67 WeakPolarHBondContact O-CG 3.25Å; L63-L67 PolarHBondContact O-N 3.24Å |
| 64 | S | 77.6 | Confident | 77 | Confident | 17 Ų | 17 | 88.9 Ų | 88.9 | 12% | 0.119 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -59.1 | -41.9 | 177.8 | -58.9 | 0 | 0 | 0 | 0 | 112.1 | S60 F61 L62 L67 I68 F86 | S60-S64 WeakPolarHBondContact O-CB 3.16Å; S60-S64 PolarHBondContact O-N 3.45Å; S60-S64 PolarHBondContact O-OG 2.78Å; F61-S64 CarbonylContact O-C 3.59Å; F61-S64 WeakPolarHBondContact O-CB 3.5Å; F61-S64 PolarHBondContact O-N 2.88Å; L62-S64 VanDerWaalsContact C-N 3.3Å; L62-S64 PolarHBondContact O-N 3.44Å; S64-L67 PolarHBondContact O-N 3.47Å; S64-I68 WeakPolarHBondContact O-CD1 3.31Å; S64-I68 WeakPolarHBondContact O-CG1 3.3Å; S64-I68 PolarHBondContact O-N 2.99Å; S64-F86 WeakPolarHBondContact OG-CE2 3.42Å; S64-F86 VanDerWaalsContact OG-CZ 3.25Å; S64-F86 WeakPolarHBondContact OG-CZ 3.29Å |
| 65 | L | 81.3 | Confident | 75.1 | Confident | 76 Ų | 76 | 89.6 Ų | 89.6 | 40% | 0.398 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.7 | -44.9 | 175.9 | -169.9 | 70.8 | 0 | 0 | 0 | 111.7 | F61 L62 L63 L67 I68 L69 | F61-L65 WeakPolarHBondContact O-CB 3.49Å; F61-L65 PolarHBondContact O-N 3.16Å; L62-L65 WeakPolarHBondContact O-CB 3.34Å; L62-L65 PolarHBondContact O-N 2.97Å; L63-L65 VanDerWaalsContact C-N 3.3Å; L63-L65 PolarHBondContact O-N 3.48Å; L65-L67 VanDerWaalsContact C-N 3.29Å; L65-L67 PolarHBondContact O-N 3.25Å; L65-I68 WeakPolarHBondContact O-CB 3.44Å; L65-I68 PolarHBondContact O-N 2.91Å; L65-I68 VanDerWaalsContact O-N 3.12Å; L65-L69 HydrophobicContact CG-CD1 4.28Å; L65-L69 WeakPolarHBondContact O-CG 3.38Å; L65-L69 PolarHBondContact O-N 3.47Å |
| 66 | L | 81.4 | Confident | 73.3 | Confident | 94 Ų | 94 | 94.8 Ų | 94.8 | 49% | 0.492 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61 | -38.8 | 175.6 | -71.6 | 172.5 | 0 | 0 | 0 | 111.6 | L62 L63 L69 K70 | L62-L66 HydrophobicContact CD2-CD1 4.46Å; L62-L66 WeakPolarHBondContact O-CB 3.4Å; L62-L66 VanDerWaalsContact O-CG 3.3Å; L62-L66 WeakPolarHBondContact O-CG 3.3Å; L62-L66 PolarHBondContact O-N 3.37Å; L63-L66 PolarHBondContact O-N 2.95Å; L66-L69 PolarHBondContact O-N 3.39Å; L66-K70 WeakPolarHBondContact O-CB 3.41Å; L66-K70 PolarHBondContact O-N 3.07Å |
| 67 | L | 75.5 | Confident | 71.6 | Confident | 56 Ų | 56 | 99.2 Ų | 99.2 | 29% | 0.293 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.9 | -41.1 | 173.5 | -66.6 | -176.1 | 0 | 0 | 0 | 111.6 | L27 L63 S64 L65 A71 | L27-L67 HydrophobicContact CD2-CD1 3.85Å; L27-L67 HydrophobicContact CD2-CD2 3.13Å; L27-L67 HydrophobicContact CD2-CG 4.08Å; L63-L67 HydrophobicContact CG-CD1 4.39Å; L63-L67 HydrophobicContact CG-CG 4.49Å; L63-L67 VanDerWaalsContact O-CG 3.25Å; L63-L67 WeakPolarHBondContact O-CG 3.25Å; L63-L67 PolarHBondContact O-N 3.24Å; S64-L67 PolarHBondContact O-N 3.47Å; L65-L67 VanDerWaalsContact C-N 3.29Å; L65-L67 PolarHBondContact O-N 3.25Å; L67-A71 WeakPolarHBondContact O-CB 3.44Å; L67-A71 PolarHBondContact O-N 3.47Å |
| 68 | I | 72.1 | Confident | 70 | Confident | 77 Ų | 77 | 94.7 Ų | 94.7 | 40% | 0.395 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.6 | -48.6 | 174.7 | -66.1 | 159.3 | 0 | 0 | 0 | 110.7 | S64 L65 A71 S72 W75 | S64-I68 WeakPolarHBondContact O-CD1 3.31Å; S64-I68 WeakPolarHBondContact O-CG1 3.3Å; S64-I68 PolarHBondContact O-N 2.99Å; L65-I68 WeakPolarHBondContact O-CB 3.44Å; L65-I68 PolarHBondContact O-N 2.91Å; L65-I68 VanDerWaalsContact O-N 3.12Å; I68-A71 PolarHBondContact O-N 3.39Å; I68-S72 WeakPolarHBondContact O-CA 3.33Å; I68-S72 WeakPolarHBondContact O-CB 3.43Å; I68-S72 PolarHBondContact O-N 3.36Å; I68-W75 HydrophobicContact CB-CH2 4.35Å; I68-W75 HydrophobicContact CB-CZ2 3.91Å; I68-W75 HydrophobicContact CG1-CH2 3.72Å; I68-W75 HydrophobicContact CG1-CZ2 3.61Å; I68-W75 HydrophobicContact CG2-CH2 4.14Å; I68-W75 HydrophobicContact CG2-CZ2 3.93Å |
| 69 | L | 73.2 | Confident | 68.2 | Low | 114 Ų | 114 | 94.2 Ų | 94.2 | 60% | 0.597 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -63.2 | -47.8 | 179 | -69.8 | 171.2 | 0 | 0 | 0 | 111.8 | L65 L66 A71 S72 | L65-L69 HydrophobicContact CG-CD1 4.28Å; L65-L69 WeakPolarHBondContact O-CG 3.38Å; L65-L69 PolarHBondContact O-N 3.47Å; L66-L69 PolarHBondContact O-N 3.39Å; L69-A71 PolarHBondContact O-N 3.04Å; L69-S72 PolarHBondContact O-N 3.15Å |
| 70 | K | 71.9 | Confident | 66.2 | Low | 181 Ų | 181 | 104 Ų | 104 | 79% | 0.787 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.3 | -39.1 | -179.2 | -172.4 | 164.5 | -175.3 | 159.1 | 0 | 111.8 | L66 | L66-K70 WeakPolarHBondContact O-CB 3.41Å; L66-K70 PolarHBondContact O-N 3.07Å |
| 71 | A | 63.8 | Low | 64.4 | Low | 36 Ų | 36 | 106.1 Ų | 106.1 | 30% | 0.298 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -84.5 | -22.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L67 I68 L69 R73 R74 W75 | L67-A71 WeakPolarHBondContact O-CB 3.44Å; L67-A71 PolarHBondContact O-N 3.47Å; I68-A71 PolarHBondContact O-N 3.39Å; L69-A71 PolarHBondContact O-N 3.04Å; A71-R73 PolarHBondContact O-N 3.45Å; A71-R74 CarbonylContact O-C 3.51Å; A71-R74 WeakPolarHBondContact O-CA 3.34Å; A71-R74 PolarHBondContact O-N 3.45Å; A71-W75 PolarHBondContact O-N 3.14Å; A71-W75 PolarHBondContact O-NE1 2.91Å |
| 72 | S | 54 | Low | 62.9 | Low | 83 Ų | 83 | 109.7 Ų | 109.7 | 58% | 0.58 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -48.2 | -30.4 | -177.6 | 178 | 0 | 0 | 0 | 0 | 113.6 | I68 L69 R74 | I68-S72 WeakPolarHBondContact O-CA 3.33Å; I68-S72 WeakPolarHBondContact O-CB 3.43Å; I68-S72 PolarHBondContact O-N 3.36Å; L69-S72 PolarHBondContact O-N 3.15Å; S72-R74 PolarHBondContact O-N 2.99Å; S72-R74 VanDerWaalsContact O-N 3.14Å |
| 73 | R | 53.4 | Low | 61.1 | Low | 244 Ų | 244 | 114.8 Ų | 114.8 | 92% | 0.921 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -13.4 | 170.4 | -93.5 | -161.1 | -178.5 | -175.5 | 3.1 | 116.2 | A71 | A71-R73 PolarHBondContact O-N 3.45Š|
| 74 | R | 54.5 | Low | 59.5 | Low | 211 Ų | 211 | 121.3 Ų | 121.3 | 80% | 0.796 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -154.2 | 30.6 | -170.1 | -141.1 | 164.9 | -161.7 | -175.9 | 2.7 | 114.3 | A71 S72 | A71-R74 CarbonylContact O-C 3.51Å; A71-R74 WeakPolarHBondContact O-CA 3.34Å; A71-R74 PolarHBondContact O-N 3.45Å; S72-R74 PolarHBondContact O-N 2.99Å; S72-R74 VanDerWaalsContact O-N 3.14Å |
| 75 | W | 48 | Very low | 58.6 | Low | 117 Ų | 117 | 123.7 Ų | 123.7 | 44% | 0.443 | 57% | 0.572 | S | S | . | * | G | 310 helix | trans | -70.7 | -30.4 | -173.1 | -92.3 | 25.2 | 0 | 0 | 0 | 116.5 | I68 A71 K77 | I68-W75 HydrophobicContact CB-CH2 4.35Å; I68-W75 HydrophobicContact CB-CZ2 3.91Å; I68-W75 HydrophobicContact CG1-CH2 3.72Å; I68-W75 HydrophobicContact CG1-CZ2 3.61Å; I68-W75 HydrophobicContact CG2-CH2 4.14Å; I68-W75 HydrophobicContact CG2-CZ2 3.93Å; A71-W75 PolarHBondContact O-N 3.14Å; A71-W75 PolarHBondContact O-NE1 2.91Å; W75-K77 PolarHBondContact O-N 2.94Å |
| 76 | N | 48.9 | Very low | 57.4 | Low | 166 Ų | 166 | 124.5 Ų | 124.5 | 89% | 0.888 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -70.9 | -2.9 | -168.2 | -119.6 | -54.2 | 0 | 0 | 0 | 115 | ||
| 77 | K | 51.2 | Low | 56.2 | Low | 104 Ų | 104 | 124.7 Ų | 124.7 | 45% | 0.452 | 58% | 0.578 | S | S | . | * | G | 310 helix | trans | -130.9 | -15.2 | -162.9 | -57.1 | -174.4 | 142.8 | -160.3 | 0 | 114.4 | I15 W75 | I15-K77 HydrophobicContact CD1-CB 4.21Å; I15-K77 WeakPolarHBondContact CD1-O 3.24Å; I15-K77 WeakPolarHBondContact CG1-O 3.14Å; W75-K77 PolarHBondContact O-N 2.94Å |
| 78 | C | 51.1 | Low | 55.4 | Low | 41 Ų | 41 | 125.1 Ų | 125.1 | 28% | 0.277 | 60% | 0.596 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -114.2 | -21.9 | -161.3 | -148.4 | 0 | 0 | 0 | 0 | 116.9 | ||
| 79 | F | 49.7 | Very low | 55 | Low | 93 Ų | 93 | 122 Ų | 122 | 41% | 0.408 | 58% | 0.583 | S | S | . | * | trans | -139 | 106.6 | -172.2 | -77 | -75 | 0 | 0 | 0 | 114.5 | L27 L85 | L27-F79 HydrophobicContact CD1-CZ 4.11Å; F79-L85 HydrophobicContact CD1-CD1 3.57Å; F79-L85 HydrophobicContact CD1-CG 4.44Å; F79-L85 HydrophobicContact CE1-CD1 3.68Å; F79-L85 HydrophobicContact CE1-CD2 4.27Å; F79-L85 HydrophobicContact CE1-CG 4.34Å; F79-L85 HydrophobicContact CG-CD1 4.12Å; F79-L85 HydrophobicContact CZ-CD1 4.31Å | ||
| 80 | K | 45.9 | Very low | 54.9 | Low | 221 Ų | 221 | 118.8 Ų | 118.8 | 96% | 0.961 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -79.8 | -9.5 | 178.2 | -158.6 | 173.6 | -179.4 | 178.2 | 0 | 113.5 | ||
| 81 | S | 46.4 | Very low | 55.1 | Low | 59 Ų | 59 | 115.5 Ų | 115.5 | 41% | 0.413 | 56% | 0.561 | S | S | . | * | trans | -147.6 | 107.4 | 179.8 | -168.3 | 0 | 0 | 0 | 0 | 113.5 | R83 | S81-R83 VanDerWaalsContact C-N 3.28Å; S81-R83 PolarHBondContact O-N 3.33Å | ||
| 82 | R | 51.9 | Low | 55.8 | Low | 204 Ų | 204 | 116 Ų | 116 | 77% | 0.77 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67 | -26.3 | 172.9 | -91.7 | 176.7 | -94.1 | -169.3 | -6 | 113.1 | ||
| 83 | R | 47.7 | Very low | 57.3 | Low | 205 Ų | 205 | 112.2 Ų | 112.2 | 77% | 0.774 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -78.8 | -40.3 | -173.4 | -77.8 | -171.2 | -96.8 | -164.1 | -4.9 | 112.9 | S81 L85 F86 T87 | S81-R83 VanDerWaalsContact C-N 3.28Å; S81-R83 PolarHBondContact O-N 3.33Å; R83-L85 PolarHBondContact O-N 3.5Å; R83-F86 PolarHBondContact O-N 3.11Å; R83-F86 VanDerWaalsContact O-N 3.07Å; R83-T87 PolarHBondContact O-N 2.73Å; R83-T87 PolarHBondContact O-OG1 2.89Å |
| 84 | M | 50.3 | Low | 58.8 | Low | 149 Ų | 149 | 103.1 Ų | 103.1 | 73% | 0.734 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.2 | -34.4 | -175.6 | -165 | 161.2 | -177.3 | 0 | 0 | 113.1 | F86 G88 | M84-F86 VanDerWaalsContact C-N 3.35Å; M84-G88 PolarHBondContact O-N 3.35Å; M84-G88 VanDerWaalsContact O-N 3.14Å |
| 85 | L | 57.5 | Low | 60.3 | Low | 66 Ų | 66 | 100.3 Ų | 100.3 | 35% | 0.346 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.9 | -37 | 170.6 | -75.5 | 168.4 | 0 | 0 | 0 | 112 | L27 R31 F79 R83 | L27-L85 HydrophobicContact CD1-CD2 3.92Å; R31-L85 PolarHBondContact NH1-O 2.94Å; R31-L85 PolarHBondContact NH2-O 3.49Å; F79-L85 HydrophobicContact CD1-CD1 3.57Å; F79-L85 HydrophobicContact CD1-CG 4.44Å; F79-L85 HydrophobicContact CE1-CD1 3.68Å; F79-L85 HydrophobicContact CE1-CD2 4.27Å; F79-L85 HydrophobicContact CE1-CG 4.34Å; F79-L85 HydrophobicContact CG-CD1 4.12Å; F79-L85 HydrophobicContact CZ-CD1 4.31Å; R83-L85 PolarHBondContact O-N 3.5Å |
| 86 | F | 56.6 | Low | 62.3 | Low | 93 Ų | 93 | 96.5 Ų | 96.5 | 41% | 0.408 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -73.4 | -49.8 | -178 | -133.5 | -88.5 | 0 | 0 | 0 | 111.4 | R31 S64 R83 M84 L90 | R31-F86 PolarHBondContact NH2-O 2.91Å; S64-F86 WeakPolarHBondContact OG-CE2 3.42Å; S64-F86 VanDerWaalsContact OG-CZ 3.25Å; S64-F86 WeakPolarHBondContact OG-CZ 3.29Å; R83-F86 PolarHBondContact O-N 3.11Å; R83-F86 VanDerWaalsContact O-N 3.07Å; M84-F86 VanDerWaalsContact C-N 3.35Å; F86-L90 HydrophobicContact CD1-CD1 3.84Å; F86-L90 HydrophobicContact CE1-CD1 4.23Å; F86-L90 WeakPolarHBondContact O-CD1 3.33Å; F86-L90 VanDerWaalsContact O-CG 3.25Å; F86-L90 WeakPolarHBondContact O-CG 3.42Å |
| 87 | T | 55.6 | Low | 64.2 | Low | 99 Ų | 99 | 88.7 Ų | 88.7 | 61% | 0.607 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -86.3 | -28.1 | -171.6 | 50 | 0 | 0 | 0 | 0 | 114.4 | R83 G89 | R83-T87 PolarHBondContact O-N 2.73Å; R83-T87 PolarHBondContact O-OG1 2.89Å; T87-G89 PolarHBondContact O-N 3.31Å |
| 88 | G | 59.9 | Low | 66 | Low | 65 Ų | 65 | 86.1 Ų | 86.1 | 67% | 0.67 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -65.8 | -31.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | M84 | M84-G88 PolarHBondContact O-N 3.35Å; M84-G88 VanDerWaalsContact O-N 3.14Å |
| 89 | G | 64.4 | Low | 67.8 | Low | 12 Ų | 12 | 88.8 Ų | 88.8 | 12% | 0.124 | 46% | 0.459 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.7 | 5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | R31 T87 G93 | R31-G89 VanDerWaalsContact NH1-C 3.34Å; R31-G89 VanDerWaalsContact NH1-N 3.18Å; T87-G89 PolarHBondContact O-N 3.31Å; G89-G93 PolarHBondContact O-N 3.43Å; G89-G93 VanDerWaalsContact O-N 3.16Å |
| 90 | L | 70.4 | Confident | 69.6 | Low | 45 Ų | 45 | 88.5 Ų | 88.5 | 24% | 0.236 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -64.8 | -47.4 | 175.1 | -93.3 | 167.1 | 0 | 0 | 0 | 110.9 | Y56 S60 F86 G92 G93 L94 | Y56-L90 HydrophobicContact CE1-CD2 4.11Å; Y56-L90 PolarHBondContact OH-O 3.35Å; S60-L90 WeakPolarHBondContact OG-CD2 3.44Å; F86-L90 HydrophobicContact CD1-CD1 3.84Å; F86-L90 HydrophobicContact CE1-CD1 4.23Å; F86-L90 WeakPolarHBondContact O-CD1 3.33Å; F86-L90 VanDerWaalsContact O-CG 3.25Å; F86-L90 WeakPolarHBondContact O-CG 3.42Å; L90-G92 VanDerWaalsContact C-N 3.34Å; L90-G92 PolarHBondContact O-N 3Å; L90-G93 PolarHBondContact O-N 3.49Å; L90-L94 PolarHBondContact O-N 3.47Å |
| 91 | V | 76 | Confident | 71.5 | Confident | 112 Ų | 112 | 79.7 Ų | 79.7 | 68% | 0.679 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -64.9 | -39.7 | -176 | -176.9 | 0 | 0 | 0 | 0 | 111.4 | L94 F95 | V91-L94 PolarHBondContact O-N 3.29Å; V91-F95 PolarHBondContact O-N 2.9Å |
| 92 | G | 77.9 | Confident | 73.5 | Confident | 48 Ų | 48 | 80.7 Ų | 80.7 | 50% | 0.495 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.9 | -45.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L90 L94 F95 T96 | L90-G92 VanDerWaalsContact C-N 3.34Å; L90-G92 PolarHBondContact O-N 3Å; G92-L94 VanDerWaalsContact C-N 3.33Å; G92-L94 PolarHBondContact O-N 2.93Å; G92-F95 PolarHBondContact O-N 3.07Å; G92-T96 PolarHBondContact O-N 3.49Å |
| 93 | G | 84.9 | Confident | 75.2 | Confident | 2 Ų | 2 | 77.1 Ų | 77.1 | 2% | 0.021 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -64.3 | -34.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S35 G89 L90 F95 T96 Y97 | S35-G93 VanDerWaalsContact CB-O 3.31Å; S35-G93 WeakPolarHBondContact CB-O 3.36Å; S35-G93 WeakPolarHBondContact OG-CA 3.24Å; G89-G93 PolarHBondContact O-N 3.43Å; G89-G93 VanDerWaalsContact O-N 3.16Å; L90-G93 PolarHBondContact O-N 3.49Å; G93-F95 VanDerWaalsContact C-N 3.35Å; G93-F95 PolarHBondContact O-N 2.87Å; G93-T96 PolarHBondContact O-N 3.31Å; G93-Y97 VanDerWaalsContact O-CB 3.3Å; G93-Y97 WeakPolarHBondContact O-CB 3.44Å; G93-Y97 PolarHBondContact O-N 3.16Å |
| 94 | L | 85 | Confident | 77 | Confident | 53 Ų | 53 | 68.8 Ų | 68.8 | 28% | 0.277 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 177.5 | -169.6 | 88.3 | 0 | 0 | 0 | 111.3 | F53 Y56 L90 V91 G92 Y97 V98 | F53-L94 HydrophobicContact CZ-CD1 4.15Å; Y56-L94 HydrophobicContact CD1-CD1 3.57Å; Y56-L94 HydrophobicContact CD2-CD1 4.46Å; Y56-L94 HydrophobicContact CE1-CB 4.39Å; Y56-L94 HydrophobicContact CE1-CD1 3.45Å; Y56-L94 VanDerWaalsContact CE1-CD1 3.45Å; Y56-L94 HydrophobicContact CE2-CD1 4.35Å; Y56-L94 HydrophobicContact CG-CD1 4.09Å; Y56-L94 PolarHBondContact OH-N 2.99Å; L90-L94 PolarHBondContact O-N 3.47Å; V91-L94 PolarHBondContact O-N 3.29Å; G92-L94 VanDerWaalsContact C-N 3.33Å; G92-L94 PolarHBondContact O-N 2.93Å; L94-Y97 WeakPolarHBondContact O-CB 3.14Å; L94-Y97 PolarHBondContact O-N 3.04Å; L94-V98 WeakPolarHBondContact O-CG2 3.33Å; L94-V98 PolarHBondContact O-N 3.29Å |
| 95 | F | 87.2 | Confident | 78.6 | Confident | 153 Ų | 153 | 65.2 Ų | 65.2 | 67% | 0.671 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -65.1 | -45.8 | -179.3 | -150.9 | -89 | 0 | 0 | 0 | 111.3 | V91 G92 G93 Y97 V98 L99 | V91-F95 PolarHBondContact O-N 2.9Å; G92-F95 PolarHBondContact O-N 3.07Å; G93-F95 VanDerWaalsContact C-N 3.35Å; G93-F95 PolarHBondContact O-N 2.87Å; F95-Y97 VanDerWaalsContact C-N 3.33Å; F95-Y97 PolarHBondContact O-N 3.48Å; F95-V98 PolarHBondContact O-N 3.2Å; F95-L99 HydrophobicContact CD1-CD1 3.74Å; F95-L99 HydrophobicContact CD1-CG 4.18Å; F95-L99 HydrophobicContact CE1-CD1 3.99Å; F95-L99 HydrophobicContact CE1-CG 4.29Å; F95-L99 WeakPolarHBondContact O-CG 3.39Å; F95-L99 PolarHBondContact O-N 3.3Å |
| 96 | T | 89 | Confident | 79.7 | Confident | 36 Ų | 36 | 63.3 Ų | 63.3 | 22% | 0.221 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.2 | -42.1 | 173.8 | -58.8 | 0 | 0 | 0 | 0 | 112 | A36 G92 G93 L99 F100 | A36-T96 HydrophobicContact CB-CG2 4.08Å; G92-T96 PolarHBondContact O-N 3.49Å; G93-T96 PolarHBondContact O-N 3.31Å; T96-L99 PolarHBondContact O-N 2.94Å; T96-F100 HydrophobicContact CG2-CD2 4.08Å; T96-F100 HydrophobicContact CG2-CE2 4.25Å; T96-F100 WeakPolarHBondContact O-CD2 3.29Å; T96-F100 PolarHBondContact O-N 2.92Å; T96-F100 VanDerWaalsContact O-N 3.16Å |
| 97 | Y | 89.9 | Confident | 80.9 | Confident | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.008 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59 | -51.2 | 176.4 | 169.5 | -93.1 | 0 | 0 | 0 | 111.7 | A42 G52 F55 Y56 G93 L94 F95 L99 F100 W101 | A42-Y97 HydrophobicContact CB-CE2 4.24Å; A42-Y97 VanDerWaalsContact CB-OH 3.24Å; A42-Y97 WeakPolarHBondContact CB-OH 3.46Å; G52-Y97 PolarHBondContact O-OH 2.86Å; F55-Y97 HydrophobicContact CD1-CE2 4.49Å; Y56-Y97 AromaticContact CD2-CD1 3.89Å; Y56-Y97 HydrophobicContact CD2-CD1 3.89Å; Y56-Y97 AromaticContact CD2-CD2 3.73Å; Y56-Y97 HydrophobicContact CD2-CD2 3.73Å; Y56-Y97 HydrophobicContact CD2-CE2 4.36Å; Y56-Y97 AromaticContact CD2-CG 3.49Å; Y56-Y97 HydrophobicContact CD2-CG 3.49Å; Y56-Y97 VanDerWaalsContact CD2-CG 3.49Å; Y56-Y97 HydrophobicContact CE2-CG 4.19Å; Y56-Y97 HydrophobicContact CG-CD1 4.25Å; Y56-Y97 HydrophobicContact CG-CG 4.27Å; G93-Y97 VanDerWaalsContact O-CB 3.3Å; G93-Y97 WeakPolarHBondContact O-CB 3.44Å; G93-Y97 PolarHBondContact O-N 3.16Å; L94-Y97 WeakPolarHBondContact O-CB 3.14Å; L94-Y97 PolarHBondContact O-N 3.04Å; F95-Y97 VanDerWaalsContact C-N 3.33Å; F95-Y97 PolarHBondContact O-N 3.48Å; Y97-L99 VanDerWaalsContact C-N 3.34Å; Y97-L99 PolarHBondContact O-N 3.27Å; Y97-F100 PolarHBondContact O-N 3.32Å; Y97-W101 HydrophobicContact CE1-CB 4.45Å; Y97-W101 HydrophobicContact CE1-CD2 4.26Å; Y97-W101 AromaticContact CE1-CE3 3.86Å; Y97-W101 HydrophobicContact CE1-CE3 3.86Å; Y97-W101 HydrophobicContact CE1-CZ3 4.49Å; Y97-W101 VanDerWaalsContact O-CB 3.24Å; Y97-W101 WeakPolarHBondContact O-CB 3.37Å; Y97-W101 PolarHBondContact O-N 3.42Å |
| 98 | V | 88 | Confident | 82.1 | Confident | 51 Ų | 51 | 62.3 Ų | 62.3 | 31% | 0.309 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.3 | -42.3 | -178.5 | 174 | 0 | 0 | 0 | 0 | 110.9 | L94 F95 F100 W101 T102 | L94-V98 WeakPolarHBondContact O-CG2 3.33Å; L94-V98 PolarHBondContact O-N 3.29Å; F95-V98 PolarHBondContact O-N 3.2Å; V98-F100 PolarHBondContact O-N 3.49Å; V98-W101 PolarHBondContact O-N 3.04Å; V98-T102 HydrophobicContact CG1-CG2 4.32Å; V98-T102 PolarHBondContact O-N 2.78Å; V98-T102 PolarHBondContact O-OG1 3.39Å; V98-T102 VanDerWaalsContact O-OG1 3.07Å |
| 99 | L | 89.3 | Confident | 82.6 | Confident | 96 Ų | 96 | 64.1 Ų | 64.1 | 50% | 0.503 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -56.5 | -51.9 | 176.8 | -76.7 | 169.4 | 0 | 0 | 0 | 112.1 | F95 T96 Y97 T102 F103 | F95-L99 HydrophobicContact CD1-CD1 3.74Å; F95-L99 HydrophobicContact CD1-CG 4.18Å; F95-L99 HydrophobicContact CE1-CD1 3.99Å; F95-L99 HydrophobicContact CE1-CG 4.29Å; F95-L99 WeakPolarHBondContact O-CG 3.39Å; F95-L99 PolarHBondContact O-N 3.3Å; T96-L99 PolarHBondContact O-N 2.94Å; Y97-L99 VanDerWaalsContact C-N 3.34Å; Y97-L99 PolarHBondContact O-N 3.27Å; L99-T102 PolarHBondContact O-OG1 2.99Å; L99-F103 WeakPolarHBondContact O-CB 3.38Å; L99-F103 PolarHBondContact O-N 3.27Å |
| 100 | F | 87.6 | Confident | 82.7 | Confident | 88 Ų | 88 | 68.8 Ų | 68.8 | 39% | 0.386 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.4 | -38.3 | 179 | -90 | -85 | 0 | 0 | 0 | 112.4 | A36 T96 Y97 V98 L104 | A36-F100 HydrophobicContact CB-CD2 3.87Å; A36-F100 HydrophobicContact CB-CE2 3.79Å; A36-F100 HydrophobicContact CB-CG 4.42Å; A36-F100 HydrophobicContact CB-CZ 4.29Å; T96-F100 HydrophobicContact CG2-CD2 4.08Å; T96-F100 HydrophobicContact CG2-CE2 4.25Å; T96-F100 WeakPolarHBondContact O-CD2 3.29Å; T96-F100 PolarHBondContact O-N 2.92Å; T96-F100 VanDerWaalsContact O-N 3.16Å; Y97-F100 PolarHBondContact O-N 3.32Å; V98-F100 PolarHBondContact O-N 3.49Å; F100-L104 HydrophobicContact CD1-CD1 4.43Å; F100-L104 WeakPolarHBondContact O-CB 3.43Å; F100-L104 PolarHBondContact O-N 2.98Å |
| 101 | W | 87 | Confident | 82 | Confident | 35 Ų | 35 | 78.5 Ų | 78.5 | 13% | 0.133 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.2 | -52.8 | 178.7 | 175.9 | 32.9 | 0 | 0 | 0 | 111.7 | G39 A42 L47 Y97 V98 Y105 | G39-W101 WeakPolarHBondContact O-CA 3.35Å; A42-W101 HydrophobicContact CB-CG 4.47Å; L47-W101 VanDerWaalsContact O-CE2 3.29Å; L47-W101 WeakPolarHBondContact O-CZ2 3.18Å; L47-W101 PolarHBondContact O-NE1 2.95Å; Y97-W101 HydrophobicContact CE1-CB 4.45Å; Y97-W101 HydrophobicContact CE1-CD2 4.26Å; Y97-W101 AromaticContact CE1-CE3 3.86Å; Y97-W101 HydrophobicContact CE1-CE3 3.86Å; Y97-W101 HydrophobicContact CE1-CZ3 4.49Å; Y97-W101 VanDerWaalsContact O-CB 3.24Å; Y97-W101 WeakPolarHBondContact O-CB 3.37Å; Y97-W101 PolarHBondContact O-N 3.42Å; V98-W101 PolarHBondContact O-N 3.04Å; W101-Y105 WeakPolarHBondContact O-CB 3.5Å; W101-Y105 PolarHBondContact O-N 3.32Å |
| 102 | T | 86.6 | Confident | 82.3 | Confident | 81 Ų | 81 | 76.8 Ų | 76.8 | 50% | 0.497 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -68.4 | -36.9 | 179.9 | 54.8 | 0 | 0 | 0 | 0 | 112.3 | V98 L99 G106 | V98-T102 HydrophobicContact CG1-CG2 4.32Å; V98-T102 PolarHBondContact O-N 2.78Å; V98-T102 PolarHBondContact O-OG1 3.39Å; V98-T102 VanDerWaalsContact O-OG1 3.07Å; L99-T102 PolarHBondContact O-OG1 2.99Å; T102-G106 PolarHBondContact O-N 3.42Å |
| 103 | F | 87.5 | Confident | 82.5 | Confident | 129 Ų | 129 | 78.3 Ų | 78.3 | 57% | 0.566 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -63.7 | -50.2 | 179.6 | 177.6 | -105.1 | 0 | 0 | 0 | 111.7 | L99 G106 M107 | L99-F103 WeakPolarHBondContact O-CB 3.38Å; L99-F103 PolarHBondContact O-N 3.27Å; F103-G106 PolarHBondContact O-N 3.48Å; F103-M107 HydrophobicContact CE1-CE 3.62Å; F103-M107 HydrophobicContact CZ-CE 3.77Å; F103-M107 PolarHBondContact O-N 3.38Å |
| 104 | L | 86.2 | Confident | 82.4 | Confident | 29 Ų | 29 | 82.6 Ų | 82.6 | 15% | 0.152 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -73 | -34.3 | -179.7 | -80.9 | 162.8 | 0 | 0 | 0 | 112.7 | A40 F100 G106 M107 V108 | A40-L104 HydrophobicContact CB-CD1 3.31Å; F100-L104 HydrophobicContact CD1-CD1 4.43Å; F100-L104 WeakPolarHBondContact O-CB 3.43Å; F100-L104 PolarHBondContact O-N 2.98Å; L104-G106 VanDerWaalsContact C-N 3.32Å; L104-G106 PolarHBondContact O-N 3Å; L104-M107 HydrophobicContact CD2-CE 4.49Å; L104-M107 HydrophobicContact CD2-SD 4.3Å; L104-M107 PolarHBondContact O-N 3.04Å; L104-V108 PolarHBondContact O-N 2.96Å |
| 105 | Y | 83.8 | Confident | 82.3 | Confident | 75 Ų | 75 | 84.3 Ų | 84.3 | 29% | 0.294 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -58.7 | -46.3 | 171.3 | -174 | -92.3 | 0 | 0 | 0 | 111.1 | T48 W101 M107 V108 H109 | T48-Y105 HydrophobicContact CG2-CD2 4.44Å; T48-Y105 HydrophobicContact CG2-CE1 4.45Å; T48-Y105 HydrophobicContact CG2-CE2 3.52Å; T48-Y105 WeakPolarHBondContact CG2-OH 3.25Å; W101-Y105 WeakPolarHBondContact O-CB 3.5Å; W101-Y105 PolarHBondContact O-N 3.32Å; Y105-M107 VanDerWaalsContact C-N 3.32Å; Y105-M107 PolarHBondContact O-N 3.44Å; Y105-V108 PolarHBondContact O-N 2.99Å; Y105-H109 HydrophobicContact CE1-CB 4.4Å; Y105-H109 HydrophobicContact CE2-CB 4.35Å; Y105-H109 WeakPolarHBondContact O-CB 3.39Å; Y105-H109 PolarHBondContact O-N 3.21Å |
| 106 | G | 81.1 | Confident | 81.9 | Confident | 25 Ų | 25 | 80 Ų | 80 | 26% | 0.258 | 40% | 0.398 | S | S | . | . | I | π-helix | trans | -62.7 | -35.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | T102 F103 L104 V110 | T102-G106 PolarHBondContact O-N 3.42Å; F103-G106 PolarHBondContact O-N 3.48Å; L104-G106 VanDerWaalsContact C-N 3.32Å; L104-G106 PolarHBondContact O-N 3Å; G106-V110 VanDerWaalsContact O-CB 3.31Å; G106-V110 WeakPolarHBondContact O-CB 3.31Å; G106-V110 PolarHBondContact O-N 3.48Å |
| 107 | M | 82.6 | Confident | 81.5 | Confident | 101 Ų | 101 | 82.9 Ų | 82.9 | 50% | 0.498 | 41% | 0.41 | S | S | . | . | I | π-helix | trans | -72.7 | -40.3 | 178.5 | -172.5 | -166.2 | -69.5 | 0 | 0 | 113.3 | F103 L104 Y105 | F103-M107 HydrophobicContact CE1-CE 3.62Å; F103-M107 HydrophobicContact CZ-CE 3.77Å; F103-M107 PolarHBondContact O-N 3.38Å; L104-M107 HydrophobicContact CD2-CE 4.49Å; L104-M107 HydrophobicContact CD2-SD 4.3Å; L104-M107 PolarHBondContact O-N 3.04Å; Y105-M107 VanDerWaalsContact C-N 3.32Å; Y105-M107 PolarHBondContact O-N 3.44Å |
| 108 | V | 80.8 | Confident | 80.9 | Confident | 70 Ų | 70 | 88.7 Ų | 88.7 | 42% | 0.424 | 44% | 0.438 | S | S | . | . | I | π-helix | trans | -91.7 | -32.5 | -171.4 | 173.3 | 0 | 0 | 0 | 0 | 113 | L104 Y105 | L104-V108 PolarHBondContact O-N 2.96Å; Y105-V108 PolarHBondContact O-N 2.99Å |
| 109 | H | 68.9 | Low | 80.3 | Confident | 103 Ų | 103 | 91.6 Ų | 91.6 | 48% | 0.477 | 45% | 0.448 | S | S | . | . | I | π-helix | trans | -105 | -20.7 | -173.7 | -84.2 | -97 | 0 | 0 | 0 | 114.4 | G46 Y105 | G46-H109 WeakPolarHBondContact CA-NE2 3.24Å; Y105-H109 HydrophobicContact CE1-CB 4.4Å; Y105-H109 HydrophobicContact CE2-CB 4.35Å; Y105-H109 WeakPolarHBondContact O-CB 3.39Å; Y105-H109 PolarHBondContact O-N 3.21Å |
| 110 | V | 68.2 | Low | 79.6 | Confident | 110 Ų | 110 | 91.3 Ų | 91.3 | 67% | 0.667 | 44% | 0.444 | S | S | * | . | I | π-helix | trans | -103 | -34.5 | -179.1 | -177.8 | 0 | 0 | 0 | 0 | 112 | G106 | G106-V110 VanDerWaalsContact O-CB 3.31Å; G106-V110 WeakPolarHBondContact O-CB 3.31Å; G106-V110 PolarHBondContact O-N 3.48Å |
| 111 | Y | 54.8 | Low | 78.9 | Confident | 249 Ų | 249 | 91.5 Ų | 91.5 | 98% | 0.976 | 45% | 0.449 | S | S | * | . | trans | -102.1 | 0 | 172.8 | -93.1 | -86.5 | 0 | 0 | 0 | 110.7 |
Retrieved 111 of 111 residues in 57.9 ms
(Link to these results)