| 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 | 42.6 | Very low | 52.5 | Low | 241 Ų | 241 | 140 Ų | 140 | 100% | 1.187 | 70% | 0.697 | S | S | * | * | 0 | 89 | 0 | -65.8 | 172 | -169.8 | 0 | 0 | 107.8 | |||||
| 2 | K | 50.6 | Low | 53.5 | Low | 213 Ų | 213 | 135.5 Ų | 135.5 | 93% | 0.926 | 68% | 0.677 | S | S | * | * | trans | -94.1 | -6.1 | -174.9 | -81.1 | -172.4 | 174 | -176.1 | 0 | 114.1 | ||||
| 3 | D | 50.8 | Low | 54.4 | Low | 98 Ų | 98 | 131.8 Ų | 131.8 | 52% | 0.524 | 67% | 0.672 | S | S | . | * | S | Bend | trans | -123.3 | 119.5 | 171.8 | -72.1 | -78 | 0 | 0 | 0 | 108.1 | S7 K83 | D3-S7 WeakPolarHBondContact CB-OG 3.27Å; D3-K83 IonicContact OD1-NZ 3.21Å; D3-K83 PolarHBondContact OD1-NZ 2.96Å; D3-K83 VanDerWaalsContact OD1-NZ 3.14Å |
| 4 | G | 57.8 | Low | 55 | Low | 60 Ų | 60 | 124.5 Ų | 124.5 | 62% | 0.619 | 64% | 0.641 | S | S | * | * | trans | -65.6 | -180 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | L6 S7 | G4-L6 PolarHBondContact O-N 3.32Å; G4-L6 VanDerWaalsContact O-N 3.08Å; G4-S7 WeakPolarHBondContact O-CA 3.42Å; G4-S7 WeakPolarHBondContact O-CB 3.45Å; G4-S7 PolarHBondContact O-N 3.5Å | ||
| 5 | F | 55.6 | Low | 55.9 | Low | 189 Ų | 189 | 118.4 Ų | 118.4 | 83% | 0.829 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -54.3 | -32.4 | -175.1 | -162.7 | -100.7 | 0 | 0 | 0 | 114.2 | S7 L8 | F5-S7 PolarHBondContact O-N 3.17Å; F5-L8 HydrophobicContact CD2-CD1 4.45Å; F5-L8 PolarHBondContact O-N 2.88Å |
| 6 | L | 52.8 | Low | 56.9 | Low | 142 Ų | 142 | 116.1 Ų | 116.1 | 74% | 0.743 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -65.5 | -15.4 | 174.2 | -75.4 | 164.6 | 0 | 0 | 0 | 114.2 | G4 L8 W9 R10 | G4-L6 PolarHBondContact O-N 3.32Å; G4-L6 VanDerWaalsContact O-N 3.08Å; L6-L8 VanDerWaalsContact C-N 3.3Å; L6-L8 PolarHBondContact O-N 3.38Å; L6-W9 PolarHBondContact O-N 2.84Å; L6-R10 PolarHBondContact O-N 3.46Å |
| 7 | S | 55.6 | Low | 57.9 | Low | 43 Ų | 43 | 113 Ų | 113 | 30% | 0.301 | 59% | 0.586 | S | S | . | * | G | 310 helix | trans | -62.5 | -35 | 172.5 | -173.9 | 0 | 0 | 0 | 0 | 112.7 | D3 G4 F5 W9 R10 | D3-S7 WeakPolarHBondContact CB-OG 3.27Å; G4-S7 WeakPolarHBondContact O-CA 3.42Å; G4-S7 WeakPolarHBondContact O-CB 3.45Å; G4-S7 PolarHBondContact O-N 3.5Å; F5-S7 PolarHBondContact O-N 3.17Å; S7-W9 VanDerWaalsContact C-N 3.28Å; S7-W9 PolarHBondContact O-N 3.48Å; S7-R10 VanDerWaalsContact O-CB 3.3Å; S7-R10 WeakPolarHBondContact O-CB 3.31Å; S7-R10 PolarHBondContact O-N 3.05Å |
| 8 | L | 55.4 | Low | 59 | Low | 145 Ų | 145 | 110.3 Ų | 110.3 | 76% | 0.759 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -30 | 179.7 | -85.2 | 134.1 | 0 | 0 | 0 | 113 | F5 L6 | F5-L8 HydrophobicContact CD2-CD1 4.45Å; F5-L8 PolarHBondContact O-N 2.88Å; L6-L8 VanDerWaalsContact C-N 3.3Å; L6-L8 PolarHBondContact O-N 3.38Å |
| 9 | W | 53 | Low | 60.1 | Low | 192 Ų | 192 | 107.2 Ų | 107.2 | 73% | 0.727 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -10.7 | 173.2 | -89.2 | -2.6 | 0 | 0 | 0 | 113.8 | L6 S7 G11 N12 | L6-W9 PolarHBondContact O-N 2.84Å; S7-W9 VanDerWaalsContact C-N 3.28Å; S7-W9 PolarHBondContact O-N 3.48Å; W9-G11 VanDerWaalsContact C-N 3.31Å; W9-G11 PolarHBondContact O-N 3.3Å; W9-N12 PolarHBondContact O-N 3.17Å |
| 10 | R | 47.8 | Very low | 61.4 | Low | 182 Ų | 182 | 108.6 Ų | 108.6 | 69% | 0.687 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | 83.7 | -178.6 | -150.7 | 167.5 | -179.7 | 171 | -0.9 | 109.4 | L6 S7 | L6-R10 PolarHBondContact O-N 3.46Å; S7-R10 VanDerWaalsContact O-CB 3.3Å; S7-R10 WeakPolarHBondContact O-CB 3.31Å; S7-R10 PolarHBondContact O-N 3.05Å |
| 11 | G | 55.3 | Low | 62.7 | Low | 35 Ų | 35 | 105.6 Ų | 105.6 | 36% | 0.361 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 149.8 | -21.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | W9 A14 T15 | W9-G11 VanDerWaalsContact C-N 3.31Å; W9-G11 PolarHBondContact O-N 3.3Å; G11-A14 PolarHBondContact O-N 3.31Å; G11-T15 WeakPolarHBondContact O-CB 3.35Å; G11-T15 PolarHBondContact O-N 2.95Å; G11-T15 PolarHBondContact O-OG1 2.98Å |
| 12 | N | 65.3 | Low | 64.9 | Low | 86 Ų | 86 | 97.5 Ų | 97.5 | 46% | 0.46 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.5 | -42.1 | 172.7 | -126.5 | 1.4 | 0 | 0 | 0 | 110.6 | W9 A14 T15 M16 | W9-N12 PolarHBondContact O-N 3.17Å; N12-A14 PolarHBondContact O-N 3.5Å; N12-T15 CarbonylContact O-C 3.54Å; N12-T15 WeakPolarHBondContact O-CA 3.49Å; N12-T15 WeakPolarHBondContact O-CB 3.38Å; N12-T15 PolarHBondContact O-N 3.41Å; N12-M16 WeakPolarHBondContact O-CG 3.26Å; N12-M16 PolarHBondContact O-N 2.78Å |
| 13 | S | 64.4 | Low | 66.6 | Low | 87 Ų | 87 | 88.9 Ų | 88.9 | 61% | 0.608 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -59.5 | -43.3 | 173.4 | -40.6 | 0 | 0 | 0 | 0 | 112.2 | T15 M16 V17 | S13-T15 VanDerWaalsContact C-N 3.28Å; S13-T15 PolarHBondContact O-N 2.92Å; S13-M16 PolarHBondContact O-N 3.29Å; S13-V17 VanDerWaalsContact O-CG2 3.27Å; S13-V17 WeakPolarHBondContact O-CG2 3.26Å; S13-V17 PolarHBondContact O-N 3.35Å |
| 14 | A | 63.5 | Low | 68.5 | Low | 30 Ų | 30 | 86.8 Ų | 86.8 | 25% | 0.248 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -66 | -31 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | G11 N12 I89 | G11-A14 PolarHBondContact O-N 3.31Å; N12-A14 PolarHBondContact O-N 3.5Å; A14-I89 HydrophobicContact CB-CD1 4.38Å |
| 15 | T | 68.5 | Low | 70.1 | Confident | 33 Ų | 33 | 86 Ų | 86 | 20% | 0.202 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -71.9 | -39.9 | 173.3 | -57.6 | 0 | 0 | 0 | 0 | 111 | G11 N12 S13 R18 V19 R75 | G11-T15 WeakPolarHBondContact O-CB 3.35Å; G11-T15 PolarHBondContact O-N 2.95Å; G11-T15 PolarHBondContact O-OG1 2.98Å; N12-T15 CarbonylContact O-C 3.54Å; N12-T15 WeakPolarHBondContact O-CA 3.49Å; N12-T15 WeakPolarHBondContact O-CB 3.38Å; N12-T15 PolarHBondContact O-N 3.41Å; S13-T15 VanDerWaalsContact C-N 3.28Å; S13-T15 PolarHBondContact O-N 2.92Å; T15-R18 PolarHBondContact O-N 3.1Å; T15-V19 HydrophobicContact CG2-CG2 4.15Å; T15-V19 VanDerWaalsContact O-CG2 3.28Å; T15-V19 WeakPolarHBondContact O-CG2 3.42Å; T15-V19 PolarHBondContact O-N 2.98Å; T15-R75 PolarHBondContact OG1-NH2 3.01Å; T15-R75 VanDerWaalsContact OG1-NH2 3.13Å |
| 16 | M | 71.8 | Confident | 71.8 | Confident | 81 Ų | 81 | 80 Ų | 80 | 40% | 0.399 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.7 | -39.4 | 176 | -69.7 | -58.7 | 100.8 | 0 | 0 | 112.6 | N12 S13 R18 V19 M20 | N12-M16 WeakPolarHBondContact O-CG 3.26Å; N12-M16 PolarHBondContact O-N 2.78Å; S13-M16 PolarHBondContact O-N 3.29Å; M16-R18 PolarHBondContact O-N 2.9Å; M16-V19 HydrophobicContact CE-CB 4.26Å; M16-V19 HydrophobicContact CE-CG2 4.27Å; M16-V19 PolarHBondContact O-N 3.06Å; M16-V19 VanDerWaalsContact O-N 3.13Å; M16-M20 PolarHBondContact O-N 3.19Å |
| 17 | V | 73.1 | Confident | 73.6 | Confident | 64 Ų | 64 | 79.8 Ų | 79.8 | 39% | 0.388 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -56.2 | -24.2 | 174 | 168.8 | 0 | 0 | 0 | 0 | 112.2 | S13 P21 L71 I89 | S13-V17 VanDerWaalsContact O-CG2 3.27Å; S13-V17 WeakPolarHBondContact O-CG2 3.26Å; S13-V17 PolarHBondContact O-N 3.35Å; V17-P21 WeakPolarHBondContact O-CD 3.32Å; V17-P21 WeakPolarHBondContact O-CG 3.27Å; V17-L71 HydrophobicContact CG1-CD2 4.5Å; V17-I89 HydrophobicContact CB-CD1 4.08Å; V17-I89 HydrophobicContact CG1-CD1 3.77Å; V17-I89 HydrophobicContact CG2-CD1 4.18Å |
| 18 | R | 77.6 | Confident | 75.4 | Confident | 65 Ų | 65 | 81.7 Ų | 81.7 | 25% | 0.245 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -92.2 | -46.2 | 173 | -175.1 | -160.5 | 72.6 | 87.5 | 1 | 112.4 | T15 M16 P21 Y22 D72 | T15-R18 PolarHBondContact O-N 3.1Å; M16-R18 PolarHBondContact O-N 2.9Å; R18-P21 WeakPolarHBondContact O-CD 3.36Å; R18-Y22 WeakPolarHBondContact O-CB 3.45Å; R18-Y22 PolarHBondContact O-N 3Å; R18-Y22 VanDerWaalsContact O-N 3.15Å; R18-D72 WeakPolarHBondContact CD-OD1 3.23Å; R18-D72 WeakPolarHBondContact CG-OD1 3.26Å |
| 19 | V | 80.2 | Confident | 77.1 | Confident | 51 Ų | 51 | 75.2 Ų | 75.2 | 31% | 0.309 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.2 | -42 | -173.1 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | T15 M16 A23 | T15-V19 HydrophobicContact CG2-CG2 4.15Å; T15-V19 VanDerWaalsContact O-CG2 3.28Å; T15-V19 WeakPolarHBondContact O-CG2 3.42Å; T15-V19 PolarHBondContact O-N 2.98Å; M16-V19 HydrophobicContact CE-CB 4.26Å; M16-V19 HydrophobicContact CE-CG2 4.27Å; M16-V19 PolarHBondContact O-N 3.06Å; M16-V19 VanDerWaalsContact O-N 3.13Å; V19-A23 WeakPolarHBondContact O-CB 3.13Å; V19-A23 PolarHBondContact O-N 2.79Å |
| 20 | M | 86.5 | Confident | 78.9 | Confident | 134 Ų | 134 | 68.4 Ų | 68.4 | 66% | 0.66 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -67 | -51.1 | -177.3 | -63 | -176.8 | 79.3 | 0 | 0 | 112.5 | M16 Y22 A23 A24 | M16-M20 PolarHBondContact O-N 3.19Å; M20-Y22 VanDerWaalsContact C-N 3.31Å; M20-Y22 PolarHBondContact O-N 3.2Å; M20-A23 PolarHBondContact O-N 3.29Å; M20-A24 WeakPolarHBondContact O-CB 3.47Å; M20-A24 PolarHBondContact O-N 2.93Å |
| 21 | P | 88.8 | Confident | 80.8 | Confident | 46 Ų | 46 | 64.2 Ų | 64.2 | 30% | 0.299 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.6 | -37.7 | 177 | -24.9 | 37.5 | 0 | 0 | 0 | 112.6 | V17 R18 A24 I25 T68 L71 | V17-P21 WeakPolarHBondContact O-CD 3.32Å; V17-P21 WeakPolarHBondContact O-CG 3.27Å; R18-P21 WeakPolarHBondContact O-CD 3.36Å; P21-A24 PolarHBondContact O-N 2.98Å; P21-I25 WeakPolarHBondContact O-CB 3.42Å; P21-I25 WeakPolarHBondContact O-CD1 3.25Å; P21-I25 VanDerWaalsContact O-CG1 3.22Å; P21-I25 WeakPolarHBondContact O-CG1 3.33Å; P21-I25 PolarHBondContact O-N 3.06Å; P21-T68 HydrophobicContact CB-CG2 4.25Å; P21-L71 HydrophobicContact CB-CD1 4.44Å; P21-L71 HydrophobicContact CG-CD1 4.31Å |
| 22 | Y | 87.8 | Confident | 82.5 | Confident | 71 Ų | 71 | 68.8 Ų | 68.8 | 28% | 0.278 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.7 | -50.2 | 177.3 | 178.9 | -97.3 | 0 | 0 | 0 | 111.4 | R18 M20 Q26 A64 A65 T68 | R18-Y22 WeakPolarHBondContact O-CB 3.45Å; R18-Y22 PolarHBondContact O-N 3Å; R18-Y22 VanDerWaalsContact O-N 3.15Å; M20-Y22 VanDerWaalsContact C-N 3.31Å; M20-Y22 PolarHBondContact O-N 3.2Å; Y22-Q26 WeakPolarHBondContact O-CB 3.35Å; Y22-Q26 PolarHBondContact O-N 3.27Å; Y22-Q26 PolarHBondContact OH-OE1 3.17Å; Y22-A64 HydrophobicContact CD2-CB 3.8Å; Y22-A64 HydrophobicContact CE2-CB 3.68Å; Y22-A65 HydrophobicContact CE2-CB 4.39Å; Y22-T68 HydrophobicContact CD2-CG2 4.49Å |
| 23 | A | 86.9 | Confident | 83.8 | Confident | 32 Ų | 32 | 67.6 Ų | 67.6 | 26% | 0.264 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62 | -46.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V19 M20 I25 Q26 F27 | V19-A23 WeakPolarHBondContact O-CB 3.13Å; V19-A23 PolarHBondContact O-N 2.79Å; M20-A23 PolarHBondContact O-N 3.29Å; A23-I25 PolarHBondContact O-N 3.41Å; A23-Q26 PolarHBondContact O-N 3.45Å; A23-F27 HydrophobicContact CB-CD2 4.4Å; A23-F27 HydrophobicContact CB-CE2 4.39Å; A23-F27 WeakPolarHBondContact O-CD2 3.46Å; A23-F27 PolarHBondContact O-N 3.09Å |
| 24 | A | 91 | Very high | 84.9 | Confident | 55 Ų | 55 | 67.2 Ų | 67.2 | 46% | 0.455 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -57.8 | -49.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | M20 P21 F27 C28 | M20-A24 WeakPolarHBondContact O-CB 3.47Å; M20-A24 PolarHBondContact O-N 2.93Å; P21-A24 PolarHBondContact O-N 2.98Å; A24-F27 PolarHBondContact O-N 3.48Å; A24-C28 VanDerWaalsContact O-CB 3.32Å; A24-C28 WeakPolarHBondContact O-CB 3.24Å; A24-C28 PolarHBondContact O-N 2.97Å; A24-C28 PolarHBondContact O-SG 3.04Å |
| 25 | I | 92.2 | Very high | 86 | Confident | 44 Ų | 44 | 73.2 Ų | 73.2 | 23% | 0.226 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.4 | -43.7 | 178.9 | -64.7 | 165.7 | 0 | 0 | 0 | 110.3 | P21 A23 F27 C28 S29 A64 L67 T68 | P21-I25 WeakPolarHBondContact O-CB 3.42Å; P21-I25 WeakPolarHBondContact O-CD1 3.25Å; P21-I25 VanDerWaalsContact O-CG1 3.22Å; P21-I25 WeakPolarHBondContact O-CG1 3.33Å; P21-I25 PolarHBondContact O-N 3.06Å; A23-I25 PolarHBondContact O-N 3.41Å; I25-F27 PolarHBondContact O-N 2.84Å; I25-C28 PolarHBondContact O-N 2.91Å; I25-S29 VanDerWaalsContact O-CB 3.24Å; I25-S29 WeakPolarHBondContact O-CB 3.38Å; I25-S29 PolarHBondContact O-N 3.41Å; I25-S29 PolarHBondContact O-OG 3.04Å; I25-S29 VanDerWaalsContact O-OG 3.09Å; I25-A64 HydrophobicContact CB-CB 4.23Å; I25-A64 HydrophobicContact CG2-CB 3.97Å; I25-L67 HydrophobicContact CD1-CB 3.93Å; I25-L67 HydrophobicContact CD1-CD1 4.37Å; I25-L67 HydrophobicContact CG2-CD1 3.77Å; I25-T68 HydrophobicContact CD1-CG2 3.85Å |
| 26 | Q | 91.4 | Very high | 86.9 | Confident | 62 Ų | 62 | 77.5 Ų | 77.5 | 29% | 0.29 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.2 | -47.7 | 179.1 | -176 | -176.3 | -30.2 | 0 | 0 | 111.4 | Y22 A23 H30 A60 A64 | Y22-Q26 WeakPolarHBondContact O-CB 3.35Å; Y22-Q26 PolarHBondContact O-N 3.27Å; Y22-Q26 PolarHBondContact OH-OE1 3.17Å; A23-Q26 PolarHBondContact O-N 3.45Å; Q26-H30 WeakPolarHBondContact O-CB 3.45Å; Q26-H30 PolarHBondContact O-N 3.43Å; Q26-A60 HydrophobicContact CG-CB 4.46Å; Q26-A64 HydrophobicContact CB-CB 3.79Å |
| 27 | F | 90.3 | Very high | 87.6 | Confident | 137 Ų | 137 | 74.6 Ų | 74.6 | 60% | 0.601 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -68 | -44.1 | 179.6 | -76.5 | -66.4 | 0 | 0 | 0 | 112.1 | A23 A24 I25 H30 E31 | A23-F27 HydrophobicContact CB-CD2 4.4Å; A23-F27 HydrophobicContact CB-CE2 4.39Å; A23-F27 WeakPolarHBondContact O-CD2 3.46Å; A23-F27 PolarHBondContact O-N 3.09Å; A24-F27 PolarHBondContact O-N 3.48Å; I25-F27 PolarHBondContact O-N 2.84Å; F27-H30 PolarHBondContact O-N 3.49Å; F27-E31 PolarHBondContact O-N 3.41Å |
| 28 | C | 92.8 | Very high | 88 | Confident | 83 Ų | 83 | 71.7 Ų | 71.7 | 56% | 0.561 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -60.5 | -48.5 | 176.8 | -74.4 | 0 | 0 | 0 | 0 | 112.1 | A24 I25 H30 E31 Q32 | A24-C28 VanDerWaalsContact O-CB 3.32Å; A24-C28 WeakPolarHBondContact O-CB 3.24Å; A24-C28 PolarHBondContact O-N 2.97Å; A24-C28 PolarHBondContact O-SG 3.04Å; I25-C28 PolarHBondContact O-N 2.91Å; C28-H30 VanDerWaalsContact C-N 3.33Å; C28-H30 PolarHBondContact O-N 3Å; C28-E31 PolarHBondContact O-N 3.24Å; C28-Q32 WeakPolarHBondContact O-CG 3.41Å; C28-Q32 PolarHBondContact O-N 2.93Å; C28-Q32 VanDerWaalsContact O-N 3.17Å |
| 29 | S | 90.9 | Very high | 88.3 | Confident | 10 Ų | 10 | 70.3 Ų | 70.3 | 7% | 0.07 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.7 | -36.8 | 177.1 | -64.6 | 0 | 0 | 0 | 0 | 111.8 | I25 Q32 Y33 | I25-S29 VanDerWaalsContact O-CB 3.24Å; I25-S29 WeakPolarHBondContact O-CB 3.38Å; I25-S29 PolarHBondContact O-N 3.41Å; I25-S29 PolarHBondContact O-OG 3.04Å; I25-S29 VanDerWaalsContact O-OG 3.09Å; S29-Q32 PolarHBondContact O-N 3.41Å; S29-Y33 WeakPolarHBondContact O-CD2 3.37Å; S29-Y33 PolarHBondContact O-N 3.32Å |
| 30 | H | 90.1 | Very high | 88.4 | Confident | 49 Ų | 49 | 76.9 Ų | 76.9 | 23% | 0.227 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.7 | -46.7 | 176.3 | -172.5 | 68.6 | 0 | 0 | 0 | 111.7 | Q26 F27 C28 Q32 Y33 K34 A60 | Q26-H30 WeakPolarHBondContact O-CB 3.45Å; Q26-H30 PolarHBondContact O-N 3.43Å; F27-H30 PolarHBondContact O-N 3.49Å; C28-H30 VanDerWaalsContact C-N 3.33Å; C28-H30 PolarHBondContact O-N 3Å; H30-Q32 VanDerWaalsContact C-N 3.31Å; H30-Q32 PolarHBondContact O-N 2.89Å; H30-Y33 PolarHBondContact O-N 2.95Å; H30-K34 WeakPolarHBondContact O-CB 3.32Å; H30-K34 PolarHBondContact O-N 3.43Å; H30-A60 HydrophobicContact CB-CB 3.72Å |
| 31 | E | 89.2 | Confident | 88 | Confident | 93 Ų | 93 | 75.3 Ų | 75.3 | 44% | 0.435 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.9 | -39.4 | 176.4 | -75.2 | -61 | 131.8 | 0 | 0 | 112.2 | F27 C28 K35 | F27-E31 PolarHBondContact O-N 3.41Å; C28-E31 PolarHBondContact O-N 3.24Å; E31-K35 WeakPolarHBondContact O-CG 3.34Å; E31-K35 PolarHBondContact O-N 2.98Å |
| 32 | Q | 91.4 | Very high | 87.5 | Confident | 132 Ų | 132 | 76.2 Ų | 76.2 | 62% | 0.617 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -65.5 | -49.6 | 175.9 | -71.5 | 177.8 | -17.3 | 0 | 0 | 112.5 | C28 S29 H30 K34 K35 L36 | C28-Q32 WeakPolarHBondContact O-CG 3.41Å; C28-Q32 PolarHBondContact O-N 2.93Å; C28-Q32 VanDerWaalsContact O-N 3.17Å; S29-Q32 PolarHBondContact O-N 3.41Å; H30-Q32 VanDerWaalsContact C-N 3.31Å; H30-Q32 PolarHBondContact O-N 2.89Å; Q32-K34 VanDerWaalsContact C-N 3.3Å; Q32-K34 PolarHBondContact O-N 2.99Å; Q32-K35 PolarHBondContact O-N 3.48Å; Q32-L36 WeakPolarHBondContact O-CB 3.42Å; Q32-L36 PolarHBondContact O-N 3.11Å |
| 33 | Y | 90.8 | Very high | 86.7 | Confident | 60 Ų | 60 | 76.8 Ų | 76.8 | 24% | 0.235 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -65.3 | -34.9 | 178.7 | -66.8 | -49.8 | 0 | 0 | 0 | 112.3 | S29 H30 L36 L37 L59 A60 T63 | S29-Y33 WeakPolarHBondContact O-CD2 3.37Å; S29-Y33 PolarHBondContact O-N 3.32Å; H30-Y33 PolarHBondContact O-N 2.95Å; Y33-L36 PolarHBondContact O-N 3.12Å; Y33-L37 WeakPolarHBondContact O-CB 3.45Å; Y33-L37 WeakPolarHBondContact O-CG 3.37Å; Y33-L37 PolarHBondContact O-N 3.34Å; Y33-L59 HydrophobicContact CD1-CB 4.49Å; Y33-L59 HydrophobicContact CD1-CD1 4.34Å; Y33-L59 HydrophobicContact CD2-CB 3.71Å; Y33-L59 HydrophobicContact CE1-CB 4.45Å; Y33-L59 HydrophobicContact CE2-CB 3.65Å; Y33-L59 HydrophobicContact CG-CB 4.16Å; Y33-A60 HydrophobicContact CD2-CB 4.11Å; Y33-A60 HydrophobicContact CE2-CB 4.47Å; Y33-T63 PolarHBondContact OH-OG1 3.33Å |
| 34 | K | 87.7 | Confident | 85.8 | Confident | 80 Ų | 80 | 83.1 Ų | 83.1 | 35% | 0.348 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.9 | -46 | 174 | -169.1 | -170.8 | 178.2 | -177.9 | 0 | 111.3 | H30 Q32 G38 L48 | H30-K34 WeakPolarHBondContact O-CB 3.32Å; H30-K34 PolarHBondContact O-N 3.43Å; Q32-K34 VanDerWaalsContact C-N 3.3Å; Q32-K34 PolarHBondContact O-N 2.99Å; K34-G38 WeakPolarHBondContact O-CA 3.18Å; K34-G38 PolarHBondContact O-N 3.42Å; K34-L48 HydrophobicContact CB-CD1 4.11Å; K34-L48 HydrophobicContact CD-CD1 4.33Å; K34-L48 HydrophobicContact CG-CD1 3.18Å |
| 35 | K | 87.2 | Confident | 84.5 | Confident | 156 Ų | 156 | 84.9 Ų | 84.9 | 68% | 0.678 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -63.8 | -44.3 | 175.7 | -73.4 | 177.8 | -175.4 | -178 | 0 | 111.8 | E31 Q32 G38 G39 | E31-K35 WeakPolarHBondContact O-CG 3.34Å; E31-K35 PolarHBondContact O-N 2.98Å; Q32-K35 PolarHBondContact O-N 3.48Å; K35-G38 PolarHBondContact O-N 3.01Å; K35-G39 PolarHBondContact O-N 3.31Å |
| 36 | L | 88.1 | Confident | 83.4 | Confident | 123 Ų | 123 | 90.3 Ų | 90.3 | 64% | 0.644 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -62.5 | -51.4 | 180 | -169.1 | 112.4 | 0 | 0 | 0 | 111.9 | Q32 Y33 G39 Y40 | Q32-L36 WeakPolarHBondContact O-CB 3.42Å; Q32-L36 PolarHBondContact O-N 3.11Å; Y33-L36 PolarHBondContact O-N 3.12Å; L36-G39 PolarHBondContact O-N 2.64Å; L36-Y40 PolarHBondContact O-N 2.68Å |
| 37 | L | 85.3 | Confident | 82.6 | Confident | 19 Ų | 19 | 90.9 Ų | 90.9 | 10% | 0.099 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -69.1 | -34 | 178 | -69 | 172.4 | 0 | 0 | 0 | 112 | Y33 G39 Y40 Y41 L48 P52 L55 A56 | Y33-L37 WeakPolarHBondContact O-CB 3.45Å; Y33-L37 WeakPolarHBondContact O-CG 3.37Å; Y33-L37 PolarHBondContact O-N 3.34Å; L37-G39 VanDerWaalsContact C-N 3.32Å; L37-Y40 PolarHBondContact O-N 3.11Å; L37-Y41 HydrophobicContact CD2-CE2 4.27Å; L37-Y41 WeakPolarHBondContact O-CB 3.33Å; L37-Y41 WeakPolarHBondContact O-CD2 3.46Å; L37-Y41 PolarHBondContact O-N 3.01Å; L37-L48 HydrophobicContact CB-CD2 3.58Å; L37-P52 HydrophobicContact CD1-CB 4.42Å; L37-P52 WeakPolarHBondContact CD1-O 3.47Å; L37-L55 HydrophobicContact CD1-CB 4.34Å; L37-L55 HydrophobicContact CD1-CD2 4.21Å; L37-L55 HydrophobicContact CD1-CG 4.31Å; L37-L55 HydrophobicContact CD2-CD2 4.25Å; L37-A56 HydrophobicContact CD1-CB 4Å |
| 38 | G | 82.6 | Confident | 82.1 | Confident | 3 Ų | 3 | 84.5 Ų | 84.5 | 3% | 0.031 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -63.2 | -38 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K34 K35 G42 F43 Q44 | K34-G38 WeakPolarHBondContact O-CA 3.18Å; K34-G38 PolarHBondContact O-N 3.42Å; K35-G38 PolarHBondContact O-N 3.01Å; G38-G42 CarbonylContact O-C 3.54Å; G38-G42 PolarHBondContact O-N 3.02Å; G38-G42 VanDerWaalsContact O-N 3.15Å; G38-F43 CarbonylContact O-C 3.54Å; G38-F43 PolarHBondContact O-N 2.91Å; G38-Q44 PolarHBondContact O-N 3.05Å |
| 39 | G | 82.6 | Confident | 81.7 | Confident | 36 Ų | 36 | 82.6 Ų | 82.6 | 37% | 0.371 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -66.3 | -45.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K35 L36 L37 G42 | K35-G39 PolarHBondContact O-N 3.31Å; L36-G39 PolarHBondContact O-N 2.64Å; L37-G39 VanDerWaalsContact C-N 3.32Å; G39-G42 PolarHBondContact O-N 3.12Å |
| 40 | Y | 82.4 | Confident | 81.3 | Confident | 189 Ų | 189 | 87.4 Ų | 87.4 | 74% | 0.741 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -65.4 | -40.6 | -179 | -173.2 | -97.4 | 0 | 0 | 0 | 113.5 | L36 L37 | L36-Y40 PolarHBondContact O-N 2.68Å; L37-Y40 PolarHBondContact O-N 3.11Å |
| 41 | Y | 78.7 | Confident | 81.1 | Confident | 102 Ų | 102 | 91.8 Ų | 91.8 | 40% | 0.4 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | 2.8 | -179.6 | -76.3 | -86 | 0 | 0 | 0 | 114 | L37 F43 P52 | L37-Y41 HydrophobicContact CD2-CE2 4.27Å; L37-Y41 WeakPolarHBondContact O-CB 3.33Å; L37-Y41 WeakPolarHBondContact O-CD2 3.46Å; L37-Y41 PolarHBondContact O-N 3.01Å; Y41-F43 VanDerWaalsContact C-N 3.33Å; Y41-F43 WeakPolarHBondContact O-CD2 3.1Å; Y41-F43 VanDerWaalsContact O-CE2 3.32Å; Y41-F43 WeakPolarHBondContact O-CE2 3.18Å; Y41-F43 PolarHBondContact O-N 2.91Å; Y41-P52 HydrophobicContact CD2-CB 4.3Å; Y41-P52 HydrophobicContact CD2-CG 4Å; Y41-P52 HydrophobicContact CE1-CG 4.35Å; Y41-P52 HydrophobicContact CE2-CB 4.19Å; Y41-P52 HydrophobicContact CE2-CG 3.72Å; Y41-P52 HydrophobicContact CG-CG 4.44Å |
| 42 | G | 77.3 | Confident | 81 | Confident | 65 Ų | 65 | 87.7 Ų | 87.7 | 67% | 0.67 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.6 | 18.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | G38 G39 | G38-G42 CarbonylContact O-C 3.54Å; G38-G42 PolarHBondContact O-N 3.02Å; G38-G42 VanDerWaalsContact O-N 3.15Å; G39-G42 PolarHBondContact O-N 3.12Å |
| 43 | F | 72.7 | Confident | 80.7 | Confident | 82 Ų | 82 | 87.4 Ų | 87.4 | 36% | 0.36 | 46% | 0.464 | S | S | . | . | trans | -100.9 | 39.3 | 178.7 | -64.7 | -80.2 | 0 | 0 | 0 | 112.8 | G38 Y41 G45 K46 P49 | G38-F43 CarbonylContact O-C 3.54Å; G38-F43 PolarHBondContact O-N 2.91Å; Y41-F43 VanDerWaalsContact C-N 3.33Å; Y41-F43 WeakPolarHBondContact O-CD2 3.1Å; Y41-F43 VanDerWaalsContact O-CE2 3.32Å; Y41-F43 WeakPolarHBondContact O-CE2 3.18Å; Y41-F43 PolarHBondContact O-N 2.91Å; F43-G45 PolarHBondContact O-N 3.46Å; F43-G45 VanDerWaalsContact O-N 3.15Å; F43-K46 PolarHBondContact O-N 3.13Å; F43-P49 HydrophobicContact CD2-CG 4.35Å; F43-P49 HydrophobicContact CE2-CG 3.98Å; F43-P49 HydrophobicContact CZ-CG 4.39Å | ||
| 44 | Q | 67.5 | Low | 80.6 | Confident | 166 Ų | 166 | 90.1 Ų | 90.1 | 78% | 0.776 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 119.9 | 175.2 | -75.1 | -172.3 | -16.7 | 0 | 0 | 110.5 | G38 K46 | G38-Q44 PolarHBondContact O-N 3.05Å; Q44-K46 VanDerWaalsContact C-N 3.32Å; Q44-K46 PolarHBondContact O-N 3.4Å |
| 45 | G | 64.3 | Low | 80.7 | Confident | 91 Ų | 91 | 89.4 Ų | 89.4 | 94% | 0.938 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.2 | -4.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | F43 | F43-G45 PolarHBondContact O-N 3.46Å; F43-G45 VanDerWaalsContact O-N 3.15Å |
| 46 | K | 69.2 | Low | 80.7 | Confident | 159 Ų | 159 | 82 Ų | 82 | 69% | 0.691 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -106.4 | 157 | 174.5 | -67.6 | -176.7 | -177.9 | 176.4 | 0 | 111.2 | F43 Q44 L48 | F43-K46 PolarHBondContact O-N 3.13Å; Q44-K46 VanDerWaalsContact C-N 3.32Å; Q44-K46 PolarHBondContact O-N 3.4Å; K46-L48 PolarHBondContact O-N 3.39Å |
| 47 | A | 74.8 | Confident | 80.8 | Confident | 73 Ų | 73 | 77.6 Ų | 77.6 | 60% | 0.603 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 124.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 48 | L | 79.3 | Confident | 81 | Confident | 4 Ų | 4 | 79.8 Ų | 79.8 | 2% | 0.021 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 146.2 | -179.5 | -79.9 | 111.1 | 0 | 0 | 0 | 111.6 | K34 L37 K46 P52 R53 | K34-L48 HydrophobicContact CB-CD1 4.11Å; K34-L48 HydrophobicContact CD-CD1 4.33Å; K34-L48 HydrophobicContact CG-CD1 3.18Å; L37-L48 HydrophobicContact CB-CD2 3.58Å; K46-L48 PolarHBondContact O-N 3.39Å; L48-P52 HydrophobicContact CB-CB 4.4Å; L48-P52 HydrophobicContact CD2-CB 3.47Å; L48-P52 VanDerWaalsContact CD2-CB 3.47Å; L48-R53 HydrophobicContact CB-CB 4.15Å; L48-R53 VanDerWaalsContact O-CZ 3.28Å; L48-R53 PolarHBondContact O-NE 3.44Å; L48-R53 PolarHBondContact O-NH2 2.9Å |
| 49 | P | 83 | Confident | 81.4 | Confident | 43 Ų | 43 | 83 Ų | 83 | 28% | 0.279 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 163.1 | 173.3 | 19.5 | -25.1 | 0 | 0 | 0 | 111.8 | F43 F51 P52 R53 | F43-P49 HydrophobicContact CD2-CG 4.35Å; F43-P49 HydrophobicContact CE2-CG 3.98Å; F43-P49 HydrophobicContact CZ-CG 4.39Å; P49-F51 VanDerWaalsContact C-N 3.31Å; P49-F51 PolarHBondContact O-N 3.21Å; P49-P52 HydrophobicContact CG-CG 3.92Å; P49-P52 WeakPolarHBondContact O-CD 3.36Å; P49-R53 VanDerWaalsContact O-CB 3.29Å; P49-R53 WeakPolarHBondContact O-CB 3.22Å; P49-R53 PolarHBondContact O-N 3.42Å |
| 50 | P | 83.9 | Confident | 81.8 | Confident | 111 Ų | 111 | 81.3 Ų | 81.3 | 72% | 0.721 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -53.5 | -41.9 | -169.6 | -29 | 35.5 | 0 | 0 | 0 | 114.6 | L54 | P50-L54 WeakPolarHBondContact O-CB 3.48Å; P50-L54 PolarHBondContact O-N 3.43Å |
| 51 | F | 85.8 | Confident | 82.1 | Confident | 141 Ų | 141 | 73.1 Ų | 73.1 | 62% | 0.618 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -72.6 | -51.9 | -176.3 | -178.2 | -90.4 | 0 | 0 | 0 | 113.3 | P49 R53 L54 L55 | P49-F51 VanDerWaalsContact C-N 3.31Å; P49-F51 PolarHBondContact O-N 3.21Å; F51-R53 VanDerWaalsContact C-N 3.26Å; F51-R53 PolarHBondContact O-N 3.29Å; F51-L54 WeakPolarHBondContact O-CB 3.02Å; F51-L54 PolarHBondContact O-N 2.94Å; F51-L55 PolarHBondContact O-N 3.38Å |
| 52 | P | 85.8 | Confident | 82.6 | Confident | 6 Ų | 6 | 71.6 Ų | 71.6 | 4% | 0.039 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61.9 | -31.4 | 173.4 | -29 | 39.4 | 0 | 0 | 0 | 113.9 | L37 Y41 L48 P49 L55 A56 | L37-P52 HydrophobicContact CD1-CB 4.42Å; L37-P52 WeakPolarHBondContact CD1-O 3.47Å; Y41-P52 HydrophobicContact CD2-CB 4.3Å; Y41-P52 HydrophobicContact CD2-CG 4Å; Y41-P52 HydrophobicContact CE1-CG 4.35Å; Y41-P52 HydrophobicContact CE2-CB 4.19Å; Y41-P52 HydrophobicContact CE2-CG 3.72Å; Y41-P52 HydrophobicContact CG-CG 4.44Å; L48-P52 HydrophobicContact CB-CB 4.4Å; L48-P52 HydrophobicContact CD2-CB 3.47Å; L48-P52 VanDerWaalsContact CD2-CB 3.47Å; P49-P52 HydrophobicContact CG-CG 3.92Å; P49-P52 WeakPolarHBondContact O-CD 3.36Å; P52-L55 PolarHBondContact O-N 3Å; P52-A56 WeakPolarHBondContact O-CB 3.22Å; P52-A56 PolarHBondContact O-N 2.97Å |
| 53 | R | 86.8 | Confident | 83.3 | Confident | 127 Ų | 127 | 70.1 Ų | 70.1 | 48% | 0.479 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.8 | -44.7 | 174 | -171.9 | -175.5 | -56.2 | -175.8 | 2.2 | 111.6 | L48 P49 F51 L55 A56 G57 | L48-R53 HydrophobicContact CB-CB 4.15Å; L48-R53 VanDerWaalsContact O-CZ 3.28Å; L48-R53 PolarHBondContact O-NE 3.44Å; L48-R53 PolarHBondContact O-NH2 2.9Å; P49-R53 VanDerWaalsContact O-CB 3.29Å; P49-R53 WeakPolarHBondContact O-CB 3.22Å; P49-R53 PolarHBondContact O-N 3.42Å; F51-R53 VanDerWaalsContact C-N 3.26Å; F51-R53 PolarHBondContact O-N 3.29Å; R53-L55 VanDerWaalsContact C-N 3.32Å; R53-A56 PolarHBondContact O-N 3.4Å; R53-G57 PolarHBondContact O-N 3.02Å |
| 54 | L | 87.4 | Confident | 84.1 | Confident | 116 Ų | 116 | 66.2 Ų | 66.2 | 61% | 0.607 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -61 | -43.9 | 173.9 | -178.8 | 67.4 | 0 | 0 | 0 | 110.6 | P50 F51 G57 S58 | P50-L54 WeakPolarHBondContact O-CB 3.48Å; P50-L54 PolarHBondContact O-N 3.43Å; F51-L54 WeakPolarHBondContact O-CB 3.02Å; F51-L54 PolarHBondContact O-N 2.94Å; L54-G57 PolarHBondContact O-N 3.15Å; L54-S58 WeakPolarHBondContact O-CB 3.4Å; L54-S58 PolarHBondContact O-N 3.2Å; L54-S58 PolarHBondContact O-OG 3.29Å; L54-S58 VanDerWaalsContact O-OG 3.08Å |
| 55 | L | 89.6 | Confident | 85.1 | Confident | 65 Ų | 65 | 59.5 Ų | 59.5 | 34% | 0.34 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.3 | -47.6 | 177.6 | -175.9 | 62.2 | 0 | 0 | 0 | 111.9 | L37 F51 P52 R53 G57 S58 L59 | L37-L55 HydrophobicContact CD1-CB 4.34Å; L37-L55 HydrophobicContact CD1-CD2 4.21Å; L37-L55 HydrophobicContact CD1-CG 4.31Å; L37-L55 HydrophobicContact CD2-CD2 4.25Å; F51-L55 PolarHBondContact O-N 3.38Å; P52-L55 PolarHBondContact O-N 3Å; R53-L55 VanDerWaalsContact C-N 3.32Å; L55-G57 VanDerWaalsContact C-N 3.31Å; L55-G57 PolarHBondContact O-N 2.97Å; L55-S58 PolarHBondContact O-N 3.41Å; L55-L59 HydrophobicContact CD1-CD1 4.08Å; L55-L59 HydrophobicContact CD1-CG 4.14Å; L55-L59 HydrophobicContact CG-CD1 3.93Å; L55-L59 HydrophobicContact CG-CG 4.4Å; L55-L59 WeakPolarHBondContact O-CB 3.4Å; L55-L59 VanDerWaalsContact O-CG 3.28Å; L55-L59 WeakPolarHBondContact O-CG 3.35Å; L55-L59 PolarHBondContact O-N 3.15Å |
| 56 | A | 88.4 | Confident | 86.3 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.008 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.5 | -42.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | L37 P52 R53 A60 | L37-A56 HydrophobicContact CD1-CB 4Å; P52-A56 WeakPolarHBondContact O-CB 3.22Å; P52-A56 PolarHBondContact O-N 2.97Å; R53-A56 PolarHBondContact O-N 3.4Å; A56-A60 WeakPolarHBondContact O-CB 3.14Å; A56-A60 PolarHBondContact O-N 2.87Å |
| 57 | G | 89.4 | Confident | 87.4 | Confident | 30 Ų | 30 | 57.5 Ų | 57.5 | 31% | 0.309 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.5 | -48.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R53 L54 L55 A60 G61 | R53-G57 PolarHBondContact O-N 3.02Å; L54-G57 PolarHBondContact O-N 3.15Å; L55-G57 VanDerWaalsContact C-N 3.31Å; L55-G57 PolarHBondContact O-N 2.97Å; G57-A60 PolarHBondContact O-N 3.39Å; G57-G61 PolarHBondContact O-N 2.91Å |
| 58 | S | 89.6 | Confident | 88.1 | Confident | 66 Ų | 66 | 54.1 Ų | 54.1 | 46% | 0.462 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.5 | -47.3 | 178.7 | -64.9 | 0 | 0 | 0 | 0 | 111.9 | L54 L55 A60 G61 T62 | L54-S58 WeakPolarHBondContact O-CB 3.4Å; L54-S58 PolarHBondContact O-N 3.2Å; L54-S58 PolarHBondContact O-OG 3.29Å; L54-S58 VanDerWaalsContact O-OG 3.08Å; L55-S58 PolarHBondContact O-N 3.41Å; S58-A60 PolarHBondContact O-N 2.87Å; S58-G61 PolarHBondContact O-N 2.89Å; S58-T62 PolarHBondContact O-N 3.35Å; S58-T62 PolarHBondContact O-OG1 3.38Å; S58-T62 VanDerWaalsContact O-OG1 3.06Å |
| 59 | L | 90.8 | Very high | 88.6 | Confident | 69 Ų | 69 | 54.1 Ų | 54.1 | 36% | 0.361 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 177.4 | -70.4 | 173.4 | 0 | 0 | 0 | 111.5 | Y33 L55 G61 T62 T63 | Y33-L59 HydrophobicContact CD1-CB 4.49Å; Y33-L59 HydrophobicContact CD1-CD1 4.34Å; Y33-L59 HydrophobicContact CD2-CB 3.71Å; Y33-L59 HydrophobicContact CE1-CB 4.45Å; Y33-L59 HydrophobicContact CE2-CB 3.65Å; Y33-L59 HydrophobicContact CG-CB 4.16Å; L55-L59 HydrophobicContact CD1-CD1 4.08Å; L55-L59 HydrophobicContact CD1-CG 4.14Å; L55-L59 HydrophobicContact CG-CD1 3.93Å; L55-L59 HydrophobicContact CG-CG 4.4Å; L55-L59 WeakPolarHBondContact O-CB 3.4Å; L55-L59 VanDerWaalsContact O-CG 3.28Å; L55-L59 WeakPolarHBondContact O-CG 3.35Å; L55-L59 PolarHBondContact O-N 3.15Å; L59-G61 PolarHBondContact O-N 3.2Å; L59-T62 PolarHBondContact O-N 3.26Å; L59-T63 WeakPolarHBondContact O-CB 3.05Å; L59-T63 PolarHBondContact O-N 3.05Å; L59-T63 PolarHBondContact O-OG1 3.01Å |
| 60 | A | 90.3 | Very high | 88.9 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.008 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.9 | -45 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q26 H30 Y33 A56 G57 S58 T63 A64 | Q26-A60 HydrophobicContact CG-CB 4.46Å; H30-A60 HydrophobicContact CB-CB 3.72Å; Y33-A60 HydrophobicContact CD2-CB 4.11Å; Y33-A60 HydrophobicContact CE2-CB 4.47Å; A56-A60 WeakPolarHBondContact O-CB 3.14Å; A56-A60 PolarHBondContact O-N 2.87Å; G57-A60 PolarHBondContact O-N 3.39Å; S58-A60 PolarHBondContact O-N 2.87Å; A60-T63 PolarHBondContact O-N 3Å; A60-A64 VanDerWaalsContact O-CB 3.32Å; A60-A64 WeakPolarHBondContact O-CB 3.19Å; A60-A64 PolarHBondContact O-N 2.99Å |
| 61 | G | 88.8 | Confident | 89.1 | Confident | 17 Ų | 17 | 49.9 Ų | 49.9 | 18% | 0.175 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G57 S58 L59 A65 | G57-G61 PolarHBondContact O-N 2.91Å; S58-G61 PolarHBondContact O-N 2.89Å; L59-G61 PolarHBondContact O-N 3.2Å; G61-A65 VanDerWaalsContact O-CB 3.28Å; G61-A65 WeakPolarHBondContact O-CB 3.15Å; G61-A65 PolarHBondContact O-N 2.91Å |
| 62 | T | 89.6 | Confident | 89.2 | Confident | 70 Ų | 70 | 44.5 Ų | 44.5 | 43% | 0.429 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.2 | -44 | 176.4 | -59.4 | 0 | 0 | 0 | 0 | 111.7 | S58 L59 A65 M66 | S58-T62 PolarHBondContact O-N 3.35Å; S58-T62 PolarHBondContact O-OG1 3.38Å; S58-T62 VanDerWaalsContact O-OG1 3.06Å; L59-T62 PolarHBondContact O-N 3.26Å; T62-A65 PolarHBondContact O-N 3.31Å; T62-M66 WeakPolarHBondContact O-CB 3.05Å; T62-M66 PolarHBondContact O-N 3.3Å |
| 63 | T | 92 | Very high | 89.2 | Confident | 34 Ų | 34 | 44.2 Ų | 44.2 | 21% | 0.209 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62 | -45.2 | 176.7 | -63.1 | 0 | 0 | 0 | 0 | 111.1 | Y33 L59 A60 M66 L67 | Y33-T63 PolarHBondContact OH-OG1 3.33Å; L59-T63 WeakPolarHBondContact O-CB 3.05Å; L59-T63 PolarHBondContact O-N 3.05Å; L59-T63 PolarHBondContact O-OG1 3.01Å; A60-T63 PolarHBondContact O-N 3Å; T63-M66 PolarHBondContact O-N 3.34Å; T63-L67 HydrophobicContact CG2-CD1 4.05Å; T63-L67 WeakPolarHBondContact O-CG 3.32Å; T63-L67 PolarHBondContact O-N 3.48Å |
| 64 | A | 90.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.8 | -49.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y22 I25 Q26 A60 M66 L67 T68 | Y22-A64 HydrophobicContact CD2-CB 3.8Å; Y22-A64 HydrophobicContact CE2-CB 3.68Å; I25-A64 HydrophobicContact CB-CB 4.23Å; I25-A64 HydrophobicContact CG2-CB 3.97Å; Q26-A64 HydrophobicContact CB-CB 3.79Å; A60-A64 VanDerWaalsContact O-CB 3.32Å; A60-A64 WeakPolarHBondContact O-CB 3.19Å; A60-A64 PolarHBondContact O-N 2.99Å; A64-M66 VanDerWaalsContact C-N 3.31Å; A64-M66 PolarHBondContact O-N 3.05Å; A64-L67 PolarHBondContact O-N 3.36Å; A64-T68 WeakPolarHBondContact O-CB 3.35Å; A64-T68 WeakPolarHBondContact O-CG2 3.41Å; A64-T68 PolarHBondContact O-N 3.44Å; A64-T68 PolarHBondContact O-OG1 3.02Å |
| 65 | A | 87.8 | Confident | 89 | Confident | 26 Ų | 26 | 37.6 Ų | 37.6 | 22% | 0.215 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.8 | -39.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y22 G61 T62 Y69 | Y22-A65 HydrophobicContact CE2-CB 4.39Å; G61-A65 VanDerWaalsContact O-CB 3.28Å; G61-A65 WeakPolarHBondContact O-CB 3.15Å; G61-A65 PolarHBondContact O-N 2.91Å; T62-A65 PolarHBondContact O-N 3.31Å; A65-Y69 WeakPolarHBondContact O-CA 3.45Å; A65-Y69 VanDerWaalsContact O-CB 3.3Å; A65-Y69 WeakPolarHBondContact O-CB 3.49Å; A65-Y69 PolarHBondContact O-N 3.5Å |
| 66 | M | 90.6 | Very high | 88.7 | Confident | 107 Ų | 107 | 35.4 Ų | 35.4 | 53% | 0.527 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -67.3 | -44.5 | 178.8 | -176.3 | 175.5 | 179 | 0 | 0 | 111.8 | T62 T63 A64 Y106 F109 | T62-M66 WeakPolarHBondContact O-CB 3.05Å; T62-M66 PolarHBondContact O-N 3.3Å; T63-M66 PolarHBondContact O-N 3.34Å; A64-M66 VanDerWaalsContact C-N 3.31Å; A64-M66 PolarHBondContact O-N 3.05Å; M66-Y106 WeakPolarHBondContact O-CE1 3.34Å; M66-Y106 PolarHBondContact O-OH 2.97Å; M66-F109 HydrophobicContact CB-CZ 4.32Å |
| 67 | L | 90.8 | Very high | 88.5 | Confident | 101 Ų | 101 | 35.4 Ų | 35.4 | 53% | 0.529 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -72.8 | -33.7 | -179.8 | -68.7 | 176.9 | 0 | 0 | 0 | 112.5 | I25 T63 A64 | I25-L67 HydrophobicContact CD1-CB 3.93Å; I25-L67 HydrophobicContact CD1-CD1 4.37Å; I25-L67 HydrophobicContact CG2-CD1 3.77Å; T63-L67 HydrophobicContact CG2-CD1 4.05Å; T63-L67 WeakPolarHBondContact O-CG 3.32Å; T63-L67 PolarHBondContact O-N 3.48Å; A64-L67 PolarHBondContact O-N 3.36Å |
| 68 | T | 90.3 | Very high | 88 | Confident | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -89.7 | -3.4 | 178.5 | 64.2 | 0 | 0 | 0 | 0 | 114.1 | P21 Y22 I25 A64 P70 L71 D72 | P21-T68 HydrophobicContact CB-CG2 4.25Å; Y22-T68 HydrophobicContact CD2-CG2 4.49Å; I25-T68 HydrophobicContact CD1-CG2 3.85Å; A64-T68 WeakPolarHBondContact O-CB 3.35Å; A64-T68 WeakPolarHBondContact O-CG2 3.41Å; A64-T68 PolarHBondContact O-N 3.44Å; A64-T68 PolarHBondContact O-OG1 3.02Å; T68-P70 VanDerWaalsContact C-CD 3.45Å; T68-P70 VanDerWaalsContact C-N 3.34Å; T68-L71 WeakPolarHBondContact O-CB 3.47Å; T68-L71 PolarHBondContact O-N 3.11Å; T68-D72 PolarHBondContact O-N 3.32Å |
| 69 | Y | 89.5 | Confident | 87.5 | Confident | 3 Ų | 3 | 37.9 Ų | 37.9 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57 | -38.1 | -176.1 | -159.8 | -95.2 | 0 | 0 | 0 | 114.5 | A65 L71 D72 M73 L105 Y106 K107 G108 F109 Q174 | A65-Y69 WeakPolarHBondContact O-CA 3.45Å; A65-Y69 VanDerWaalsContact O-CB 3.3Å; A65-Y69 WeakPolarHBondContact O-CB 3.49Å; A65-Y69 PolarHBondContact O-N 3.5Å; Y69-L71 PolarHBondContact O-N 3.13Å; Y69-D72 WeakPolarHBondContact O-CB 3.46Å; Y69-D72 PolarHBondContact O-N 3.25Å; Y69-M73 HydrophobicContact CE1-CE 4.43Å; Y69-M73 PolarHBondContact O-N 2.82Å; Y69-L105 WeakPolarHBondContact CD1-O 3.36Å; Y69-L105 WeakPolarHBondContact CE1-O 3.35Å; Y69-Y106 HydrophobicContact CD1-CD1 4.07Å; Y69-Y106 HydrophobicContact CD1-CG 4.44Å; Y69-Y106 HydrophobicContact CG-CD1 4.4Å; Y69-K107 PolarHBondContact OH-O 3.29Å; Y69-G108 WeakPolarHBondContact OH-CA 3.46Å; Y69-G108 PolarHBondContact OH-O 3.15Å; Y69-G108 VanDerWaalsContact OH-O 3.05Å; Y69-F109 HydrophobicContact CD1-CB 4.21Å; Y69-F109 HydrophobicContact CD2-CB 4.31Å; Y69-F109 AromaticContact CD2-CD2 3.46Å; Y69-F109 HydrophobicContact CD2-CD2 3.46Å; Y69-F109 VanDerWaalsContact CD2-CD2 3.46Å; Y69-F109 HydrophobicContact CD2-CE2 4.26Å; Y69-F109 HydrophobicContact CD2-CG 4.35Å; Y69-F109 HydrophobicContact CE1-CB 3.93Å; Y69-F109 HydrophobicContact CE2-CB 4Å; Y69-F109 AromaticContact CE2-CD2 3.74Å; Y69-F109 HydrophobicContact CE2-CD2 3.74Å; Y69-F109 HydrophobicContact CE2-CG 4.38Å; Y69-F109 HydrophobicContact CG-CB 4.38Å; Y69-F109 AromaticContact CG-CD2 3.86Å; Y69-F109 HydrophobicContact CG-CD2 3.86Å; Y69-F109 VanDerWaalsContact CZ-CA 3.5Å; Y69-F109 PolarHBondContact OH-N 3.03Å; Y69-Q174 PolarHBondContact OH-NE2 3.33Å |
| 70 | P | 90.4 | Very high | 86.8 | Confident | 16 Ų | 16 | 38.2 Ų | 38.2 | 10% | 0.104 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.7 | -34 | 174.2 | -27.8 | 37.3 | 0 | 0 | 0 | 113.7 | T68 M73 V74 F93 L105 Y106 | T68-P70 VanDerWaalsContact C-CD 3.45Å; T68-P70 VanDerWaalsContact C-N 3.34Å; P70-M73 PolarHBondContact O-N 3Å; P70-V74 WeakPolarHBondContact O-CG2 3.2Å; P70-V74 PolarHBondContact O-N 3.1Å; P70-F93 HydrophobicContact CB-CE2 4.11Å; P70-L105 HydrophobicContact CB-CB 4.13Å; P70-L105 HydrophobicContact CB-CD1 4.39Å; P70-L105 HydrophobicContact CB-CD2 4.33Å; P70-L105 HydrophobicContact CG-CB 4.32Å; P70-Y106 HydrophobicContact CG-CE1 4.48Å; P70-Y106 HydrophobicContact CG-CE2 3.88Å |
| 71 | L | 88.3 | Confident | 86.1 | Confident | 50 Ų | 50 | 39 Ų | 39 | 26% | 0.262 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -70.7 | -36.6 | 175.9 | -62 | 174.2 | 0 | 0 | 0 | 111.5 | V17 P21 T68 Y69 M73 V74 R75 | V17-L71 HydrophobicContact CG1-CD2 4.5Å; P21-L71 HydrophobicContact CB-CD1 4.44Å; P21-L71 HydrophobicContact CG-CD1 4.31Å; T68-L71 WeakPolarHBondContact O-CB 3.47Å; T68-L71 PolarHBondContact O-N 3.11Å; Y69-L71 PolarHBondContact O-N 3.13Å; L71-M73 VanDerWaalsContact C-N 3.32Å; L71-V74 PolarHBondContact O-N 3.43Å; L71-R75 WeakPolarHBondContact O-CB 3.28Å; L71-R75 PolarHBondContact O-N 3.15Å |
| 72 | D | 86.3 | Confident | 85.1 | Confident | 27 Ų | 27 | 41.5 Ų | 41.5 | 14% | 0.144 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.3 | -42.9 | 173 | -77 | -3.6 | 0 | 0 | 0 | 111.1 | R18 T68 Y69 A76 R170 | R18-D72 WeakPolarHBondContact CD-OD1 3.23Å; R18-D72 WeakPolarHBondContact CG-OD1 3.26Å; T68-D72 PolarHBondContact O-N 3.32Å; Y69-D72 WeakPolarHBondContact O-CB 3.46Å; Y69-D72 PolarHBondContact O-N 3.25Å; D72-A76 WeakPolarHBondContact O-CB 3.41Å; D72-A76 PolarHBondContact O-N 3.45Å; D72-R170 IonicContact OD2-NH2 2.68Å |
| 73 | M | 86.4 | Confident | 83.8 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.4 | -52.5 | 176.3 | 177 | 60.6 | 66.6 | 0 | 0 | 111.9 | Y69 P70 L71 R75 A76 R77 I96 T104 L105 K107 Q174 | Y69-M73 HydrophobicContact CE1-CE 4.43Å; Y69-M73 PolarHBondContact O-N 2.82Å; P70-M73 PolarHBondContact O-N 3Å; L71-M73 VanDerWaalsContact C-N 3.32Å; M73-R75 VanDerWaalsContact C-N 3.28Å; M73-R75 PolarHBondContact O-N 2.84Å; M73-A76 PolarHBondContact O-N 3.01Å; M73-A76 VanDerWaalsContact O-N 3.15Å; M73-R77 WeakPolarHBondContact O-CG 3.45Å; M73-R77 PolarHBondContact O-N 3.48Å; M73-R77 HydrophobicContact SD-CG 4.32Å; M73-I96 HydrophobicContact CG-CD1 4.33Å; M73-T104 VanDerWaalsContact CE-O 3.25Å; M73-T104 WeakPolarHBondContact CE-O 3.34Å; M73-L105 WeakPolarHBondContact CB-O 3.42Å; M73-K107 HydrophobicContact CE-CB 3.99Å; M73-K107 WeakPolarHBondContact CE-O 3.38Å; M73-Q174 HydrophobicContact CE-CB 4.03Å; M73-Q174 HydrophobicContact CE-CG 3.73Å; M73-Q174 HydrophobicContact SD-CB 3.87Å; M73-Q174 HydrophobicContact SD-CG 4.16Å |
| 74 | V | 87.3 | Confident | 82.4 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.012 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.8 | -43.6 | -179.9 | 167.2 | 0 | 0 | 0 | 0 | 110.9 | P70 L71 A76 R77 M78 I89 V92 F93 I96 | P70-V74 WeakPolarHBondContact O-CG2 3.2Å; P70-V74 PolarHBondContact O-N 3.1Å; L71-V74 PolarHBondContact O-N 3.43Å; V74-A76 PolarHBondContact O-N 3.41Å; V74-R77 WeakPolarHBondContact O-CB 3.49Å; V74-R77 PolarHBondContact O-N 2.87Å; V74-M78 HydrophobicContact CG1-CG 4.48Å; V74-M78 HydrophobicContact CG1-SD 4.12Å; V74-M78 WeakPolarHBondContact O-CG 2.89Å; V74-M78 PolarHBondContact O-N 2.83Å; V74-I89 HydrophobicContact CG1-CB 4.32Å; V74-I89 HydrophobicContact CG1-CG2 3.78Å; V74-V92 HydrophobicContact CB-CG1 4.28Å; V74-V92 HydrophobicContact CG1-CB 3.73Å; V74-V92 HydrophobicContact CG1-CG1 3.74Å; V74-V92 HydrophobicContact CG1-CG2 4.37Å; V74-V92 HydrophobicContact CG2-CG1 4.25Å; V74-F93 HydrophobicContact CG2-CB 4Å; V74-F93 HydrophobicContact CG2-CD2 4.23Å; V74-I96 HydrophobicContact CG2-CD1 4.23Å |
| 75 | R | 82.9 | Confident | 81.1 | Confident | 103 Ų | 103 | 55.2 Ų | 55.2 | 39% | 0.389 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 177.3 | -175.1 | -175.8 | 177.8 | -154.2 | 4.7 | 112.2 | T15 L71 M73 R77 M78 A79 | T15-R75 PolarHBondContact OG1-NH2 3.01Å; T15-R75 VanDerWaalsContact OG1-NH2 3.13Å; L71-R75 WeakPolarHBondContact O-CB 3.28Å; L71-R75 PolarHBondContact O-N 3.15Å; M73-R75 VanDerWaalsContact C-N 3.28Å; M73-R75 PolarHBondContact O-N 2.84Å; R75-R77 VanDerWaalsContact C-N 3.29Å; R75-R77 PolarHBondContact O-N 3.35Å; R75-M78 PolarHBondContact O-N 3.27Å; R75-A79 WeakPolarHBondContact O-CB 3.3Å; R75-A79 PolarHBondContact O-N 2.89Å |
| 76 | A | 83.4 | Confident | 79.9 | Confident | 19 Ų | 19 | 55 Ų | 55 | 16% | 0.157 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61 | -40.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | D72 M73 V74 A79 Q174 | D72-A76 WeakPolarHBondContact O-CB 3.41Å; D72-A76 PolarHBondContact O-N 3.45Å; M73-A76 PolarHBondContact O-N 3.01Å; M73-A76 VanDerWaalsContact O-N 3.15Å; V74-A76 PolarHBondContact O-N 3.41Å; A76-A79 PolarHBondContact O-N 2.9Å; A76-Q174 HydrophobicContact CB-CB 3.94Å |
| 77 | R | 82.8 | Confident | 78.8 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 0% | 0.004 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.2 | -49.6 | 174.7 | -71.3 | -83.1 | -177.7 | 138.7 | 8.1 | 112.1 | M73 V74 R75 A79 V80 T81 V92 I96 E100 Q174 | M73-R77 WeakPolarHBondContact O-CG 3.45Å; M73-R77 PolarHBondContact O-N 3.48Å; M73-R77 HydrophobicContact SD-CG 4.32Å; V74-R77 WeakPolarHBondContact O-CB 3.49Å; V74-R77 PolarHBondContact O-N 2.87Å; R75-R77 VanDerWaalsContact C-N 3.29Å; R75-R77 PolarHBondContact O-N 3.35Å; R77-A79 PolarHBondContact O-N 3.47Å; R77-V80 VanDerWaalsContact O-CG2 3.23Å; R77-V80 WeakPolarHBondContact O-CG2 3.31Å; R77-V80 PolarHBondContact O-N 2.91Å; R77-V80 VanDerWaalsContact O-N 3.13Å; R77-T81 PolarHBondContact O-N 3.29Å; R77-T81 VanDerWaalsContact O-N 3.11Å; R77-T81 PolarHBondContact O-OG1 2.93Å; R77-T81 VanDerWaalsContact O-OG1 3.1Å; R77-V92 HydrophobicContact CB-CG1 4.17Å; R77-I96 HydrophobicContact CB-CD1 4.49Å; R77-I96 HydrophobicContact CG-CD1 3.9Å; R77-E100 IonicContact CZ-OE1 3.86Å; R77-E100 IonicContact CZ-OE2 3.87Å; R77-E100 IonicContact NH1-OE1 2.78Å; R77-E100 PolarHBondContact NH1-OE1 3.29Å; R77-E100 IonicContact NH1-OE2 3.06Å; R77-E100 VanDerWaalsContact NH2-CD 3.31Å; R77-E100 IonicContact NH2-OE1 3.14Å; R77-E100 PolarHBondContact NH2-OE1 3.34Å; R77-E100 VanDerWaalsContact NH2-OE1 3.12Å; R77-E100 IonicContact NH2-OE2 3.87Å; R77-E100 PolarHBondContact NH2-OE2 3.45Å; R77-Q174 PolarHBondContact NE-O 2.88Å |
| 78 | M | 80.9 | Confident | 78 | Confident | 62 Ų | 62 | 54.3 Ų | 54.3 | 31% | 0.305 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.5 | -32.2 | 177.8 | -70.8 | -178.5 | 73.5 | 0 | 0 | 113.1 | V74 R75 V80 I89 V92 | V74-M78 HydrophobicContact CG1-CG 4.48Å; V74-M78 HydrophobicContact CG1-SD 4.12Å; V74-M78 WeakPolarHBondContact O-CG 2.89Å; V74-M78 PolarHBondContact O-N 2.83Å; R75-M78 PolarHBondContact O-N 3.27Å; M78-V80 VanDerWaalsContact C-N 3.27Å; M78-V80 PolarHBondContact O-N 2.89Å; M78-I89 HydrophobicContact CE-CG1 4.41Å; M78-I89 HydrophobicContact SD-CG1 3.74Å; M78-V92 HydrophobicContact CG-CG1 4.48Å; M78-V92 HydrophobicContact CG-CG2 3.64Å; M78-V92 HydrophobicContact SD-CG2 4.04Å |
| 79 | A | 78.4 | Confident | 77.5 | Confident | 86 Ų | 86 | 56.1 Ų | 56.1 | 71% | 0.711 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -70.8 | -20.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | R75 A76 R77 | R75-A79 WeakPolarHBondContact O-CB 3.3Å; R75-A79 PolarHBondContact O-N 2.89Å; A76-A79 PolarHBondContact O-N 2.9Å; R77-A79 PolarHBondContact O-N 3.47Å |
| 80 | V | 75.8 | Confident | 77.2 | Confident | 75 Ų | 75 | 62.8 Ų | 62.8 | 46% | 0.455 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -108.5 | -12.4 | -179.3 | -61.7 | 0 | 0 | 0 | 0 | 114 | R77 M78 T175 V178 | R77-V80 VanDerWaalsContact O-CG2 3.23Å; R77-V80 WeakPolarHBondContact O-CG2 3.31Å; R77-V80 PolarHBondContact O-N 2.91Å; R77-V80 VanDerWaalsContact O-N 3.13Å; M78-V80 VanDerWaalsContact C-N 3.27Å; M78-V80 PolarHBondContact O-N 2.89Å; V80-T175 HydrophobicContact CB-CG2 4.25Å; V80-T175 HydrophobicContact CG1-CG2 3.66Å; V80-T175 HydrophobicContact CG2-CG2 3.61Å; V80-V178 HydrophobicContact CG2-CB 4.27Å; V80-V178 HydrophobicContact CG2-CG1 4.21Å; V80-V178 HydrophobicContact CG2-CG2 4.17Å |
| 81 | T | 75.1 | Confident | 76.9 | Confident | 18 Ų | 18 | 66.2 Ų | 66.2 | 11% | 0.11 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -96.3 | 144 | 178.8 | -53.9 | 0 | 0 | 0 | 0 | 111.2 | R77 M85 Y86 | R77-T81 PolarHBondContact O-N 3.29Å; R77-T81 VanDerWaalsContact O-N 3.11Å; R77-T81 PolarHBondContact O-OG1 2.93Å; R77-T81 VanDerWaalsContact O-OG1 3.1Å; T81-M85 HydrophobicContact CG2-CB 3.55Å; T81-M85 HydrophobicContact CG2-CE 3.41Å; T81-M85 VanDerWaalsContact CG2-CE 3.41Å; T81-M85 HydrophobicContact CG2-CG 4.15Å; T81-Y86 HydrophobicContact CG2-CD2 3.69Å; T81-Y86 HydrophobicContact CG2-CE2 3.58Å |
| 82 | A | 68.1 | Low | 76.8 | Confident | 69 Ų | 69 | 63.8 Ų | 63.8 | 57% | 0.57 | 35% | 0.346 | S | S | * | . | trans | -56.5 | 139.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | E84 M85 | A82-E84 PolarHBondContact O-N 3.15Å; A82-M85 PolarHBondContact O-N 3.34Å | ||
| 83 | K | 62.4 | Low | 76.8 | Confident | 105 Ų | 105 | 66 Ų | 66 | 46% | 0.457 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -20.9 | -174.8 | -167.8 | 175.4 | 173 | -173.5 | 0 | 114 | D3 | D3-K83 IonicContact OD1-NZ 3.21Å; D3-K83 PolarHBondContact OD1-NZ 2.96Å; D3-K83 VanDerWaalsContact OD1-NZ 3.14Å |
| 84 | E | 62 | Low | 77 | Confident | 191 Ų | 191 | 69 Ų | 69 | 89% | 0.893 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -20.8 | -179.1 | -61.1 | 179 | -176 | 0 | 0 | 113.4 | A82 | A82-E84 PolarHBondContact O-N 3.15Š|
| 85 | M | 62.6 | Low | 77 | Confident | 96 Ų | 96 | 72.2 Ų | 72.2 | 47% | 0.473 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -81.8 | -18.7 | -178.9 | -91.6 | -124.9 | -76.3 | 0 | 0 | 114.1 | T81 A82 | T81-M85 HydrophobicContact CG2-CB 3.55Å; T81-M85 HydrophobicContact CG2-CE 3.41Å; T81-M85 VanDerWaalsContact CG2-CE 3.41Å; T81-M85 HydrophobicContact CG2-CG 4.15Å; A82-M85 PolarHBondContact O-N 3.34Å |
| 86 | Y | 64.4 | Low | 77.3 | Confident | 22 Ų | 22 | 67.4 Ų | 67.4 | 9% | 0.086 | 37% | 0.366 | C | S | . | . | trans | -138.2 | 114.3 | -176.3 | -67.7 | -65.8 | 0 | 0 | 0 | 111.7 | T81 H91 V92 R95 | T81-Y86 HydrophobicContact CG2-CD2 3.69Å; T81-Y86 HydrophobicContact CG2-CE2 3.58Å; Y86-H91 AromaticContact CD1-ND1 3.76Å; Y86-V92 HydrophobicContact CD1-CB 4.09Å; Y86-V92 HydrophobicContact CD1-CG2 3.33Å; Y86-V92 HydrophobicContact CD2-CG2 4.04Å; Y86-V92 HydrophobicContact CE1-CB 4.27Å; Y86-V92 HydrophobicContact CE1-CG1 4.34Å; Y86-V92 HydrophobicContact CE1-CG2 3.94Å; Y86-V92 HydrophobicContact CG-CG2 3.4Å; Y86-V92 VanDerWaalsContact CG-CG2 3.4Å; Y86-R95 HydrophobicContact CE1-CB 4.44Å | ||
| 87 | S | 65.6 | Low | 77.6 | Confident | 88 Ų | 88 | 67.7 Ų | 67.7 | 62% | 0.615 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -72.9 | -43.8 | 177.4 | 51.9 | 0 | 0 | 0 | 0 | 112.5 | ||
| 88 | N | 74.3 | Confident | 78 | Confident | 105 Ų | 105 | 75.1 Ų | 75.1 | 56% | 0.561 | 40% | 0.402 | S | S | * | . | trans | -145.3 | 157.6 | -170.4 | -68.9 | -45.3 | 0 | 0 | 0 | 113.3 | M90 H91 V92 | N88-M90 VanDerWaalsContact C-N 3.27Å; N88-M90 PolarHBondContact O-N 2.98Å; N88-H91 HydrophobicContact CB-CB 4.47Å; N88-H91 WeakPolarHBondContact O-CB 3.49Å; N88-H91 PolarHBondContact O-N 3.27Å; N88-V92 WeakPolarHBondContact O-CG2 3.39Å; N88-V92 PolarHBondContact O-N 2.95Å; N88-V92 VanDerWaalsContact O-N 3.17Å | ||
| 89 | I | 80.7 | Confident | 78.3 | Confident | 41 Ų | 41 | 78.1 Ų | 78.1 | 21% | 0.21 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -54.5 | -42.5 | 174.3 | -70.5 | 174.3 | 0 | 0 | 0 | 111.4 | A14 V17 V74 M78 H91 V92 F93 | A14-I89 HydrophobicContact CB-CD1 4.38Å; V17-I89 HydrophobicContact CB-CD1 4.08Å; V17-I89 HydrophobicContact CG1-CD1 3.77Å; V17-I89 HydrophobicContact CG2-CD1 4.18Å; V74-I89 HydrophobicContact CG1-CB 4.32Å; V74-I89 HydrophobicContact CG1-CG2 3.78Å; M78-I89 HydrophobicContact CE-CG1 4.41Å; M78-I89 HydrophobicContact SD-CG1 3.74Å; I89-H91 VanDerWaalsContact C-N 3.33Å; I89-H91 PolarHBondContact O-N 3.25Å; I89-V92 PolarHBondContact O-N 3.01Å; I89-F93 PolarHBondContact O-N 2.86Å |
| 90 | M | 83.6 | Confident | 78.7 | Confident | 143 Ų | 143 | 77 Ų | 77 | 70% | 0.704 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63.8 | -37.8 | 177.3 | -74.3 | -57.2 | -145.7 | 0 | 0 | 112.6 | N88 V92 F93 V94 | N88-M90 VanDerWaalsContact C-N 3.27Å; N88-M90 PolarHBondContact O-N 2.98Å; M90-V92 VanDerWaalsContact C-N 3.34Å; M90-V92 PolarHBondContact O-N 3.01Å; M90-F93 PolarHBondContact O-N 3.34Å; M90-V94 WeakPolarHBondContact O-CB 3.25Å; M90-V94 VanDerWaalsContact O-CG2 3.31Å; M90-V94 WeakPolarHBondContact O-CG2 3.32Å; M90-V94 PolarHBondContact O-N 3.25Å |
| 91 | H | 84.1 | Confident | 79.3 | Confident | 87 Ų | 87 | 74.8 Ų | 74.8 | 40% | 0.403 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63 | -43.3 | 177.2 | -174.8 | -118.4 | 0 | 0 | 0 | 110.9 | Y86 N88 I89 R95 | Y86-H91 AromaticContact CD1-ND1 3.76Å; N88-H91 HydrophobicContact CB-CB 4.47Å; N88-H91 WeakPolarHBondContact O-CB 3.49Å; N88-H91 PolarHBondContact O-N 3.27Å; I89-H91 VanDerWaalsContact C-N 3.33Å; I89-H91 PolarHBondContact O-N 3.25Å; H91-R95 VanDerWaalsContact O-CB 3.26Å; H91-R95 WeakPolarHBondContact O-CB 3.4Å; H91-R95 PolarHBondContact O-N 3.49Å |
| 92 | V | 84.8 | Confident | 80 | Confident | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63.1 | -45 | 175.4 | -176.7 | 0 | 0 | 0 | 0 | 111 | V74 R77 M78 Y86 N88 I89 M90 R95 I96 | V74-V92 HydrophobicContact CB-CG1 4.28Å; V74-V92 HydrophobicContact CG1-CB 3.73Å; V74-V92 HydrophobicContact CG1-CG1 3.74Å; V74-V92 HydrophobicContact CG1-CG2 4.37Å; V74-V92 HydrophobicContact CG2-CG1 4.25Å; R77-V92 HydrophobicContact CB-CG1 4.17Å; M78-V92 HydrophobicContact CG-CG1 4.48Å; M78-V92 HydrophobicContact CG-CG2 3.64Å; M78-V92 HydrophobicContact SD-CG2 4.04Å; Y86-V92 HydrophobicContact CD1-CB 4.09Å; Y86-V92 HydrophobicContact CD1-CG2 3.33Å; Y86-V92 HydrophobicContact CD2-CG2 4.04Å; Y86-V92 HydrophobicContact CE1-CB 4.27Å; Y86-V92 HydrophobicContact CE1-CG1 4.34Å; Y86-V92 HydrophobicContact CE1-CG2 3.94Å; Y86-V92 HydrophobicContact CG-CG2 3.4Å; Y86-V92 VanDerWaalsContact CG-CG2 3.4Å; N88-V92 WeakPolarHBondContact O-CG2 3.39Å; N88-V92 PolarHBondContact O-N 2.95Å; N88-V92 VanDerWaalsContact O-N 3.17Å; I89-V92 PolarHBondContact O-N 3.01Å; M90-V92 VanDerWaalsContact C-N 3.34Å; M90-V92 PolarHBondContact O-N 3.01Å; V92-R95 PolarHBondContact O-N 2.98Å; V92-I96 HydrophobicContact CG1-CD1 3.72Å; V92-I96 HydrophobicContact CG1-CG1 4.35Å; V92-I96 VanDerWaalsContact O-CG1 3.26Å; V92-I96 WeakPolarHBondContact O-CG1 3.28Å; V92-I96 PolarHBondContact O-N 3.12Å |
| 93 | F | 88.1 | Confident | 80.9 | Confident | 74 Ų | 74 | 84.3 Ų | 84.3 | 33% | 0.325 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.8 | -48.8 | 179.8 | 178.6 | -89.8 | 0 | 0 | 0 | 112.3 | P70 V74 I89 M90 I96 S97 L105 | P70-F93 HydrophobicContact CB-CE2 4.11Å; V74-F93 HydrophobicContact CG2-CB 4Å; V74-F93 HydrophobicContact CG2-CD2 4.23Å; I89-F93 PolarHBondContact O-N 2.86Å; M90-F93 PolarHBondContact O-N 3.34Å; F93-I96 PolarHBondContact O-N 2.99Å; F93-S97 WeakPolarHBondContact O-CB 3.15Å; F93-S97 PolarHBondContact O-N 3.03Å; F93-S97 PolarHBondContact O-OG 3Å; F93-L105 HydrophobicContact CD2-CD1 4.11Å; F93-L105 HydrophobicContact CD2-CD2 3.89Å; F93-L105 HydrophobicContact CE2-CD1 3.4Å; F93-L105 HydrophobicContact CE2-CD2 4.01Å; F93-L105 HydrophobicContact CE2-CG 4.35Å; F93-L105 HydrophobicContact CZ-CD1 3.78Å |
| 94 | V | 89.8 | Confident | 82.2 | Confident | 63 Ų | 63 | 80.2 Ų | 80.2 | 38% | 0.382 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 178.7 | 171.6 | 0 | 0 | 0 | 0 | 109.9 | M90 I96 S97 Q98 | M90-V94 WeakPolarHBondContact O-CB 3.25Å; M90-V94 VanDerWaalsContact O-CG2 3.31Å; M90-V94 WeakPolarHBondContact O-CG2 3.32Å; M90-V94 PolarHBondContact O-N 3.25Å; V94-I96 PolarHBondContact O-N 3.28Å; V94-S97 PolarHBondContact O-N 3.3Å; V94-S97 VanDerWaalsContact O-N 3.17Å; V94-Q98 HydrophobicContact CG1-CG 4.22Å; V94-Q98 WeakPolarHBondContact O-CB 3.4Å; V94-Q98 WeakPolarHBondContact O-CG 3.26Å; V94-Q98 PolarHBondContact O-N 3.05Å |
| 95 | R | 87.8 | Confident | 83.5 | Confident | 69 Ų | 69 | 71.2 Ų | 71.2 | 26% | 0.26 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.4 | -48.5 | 179.3 | -166.4 | -176.1 | -173.6 | 177.6 | -2 | 112.4 | Y86 H91 V92 S97 Q98 E99 | Y86-R95 HydrophobicContact CE1-CB 4.44Å; H91-R95 VanDerWaalsContact O-CB 3.26Å; H91-R95 WeakPolarHBondContact O-CB 3.4Å; H91-R95 PolarHBondContact O-N 3.49Å; V92-R95 PolarHBondContact O-N 2.98Å; R95-S97 VanDerWaalsContact C-N 3.26Å; R95-S97 PolarHBondContact O-N 3.17Å; R95-Q98 PolarHBondContact O-N 3.08Å; R95-E99 HydrophobicContact CG-CG 4.05Å; R95-E99 VanDerWaalsContact CG-OE1 3.26Å; R95-E99 WeakPolarHBondContact CG-OE1 3.42Å; R95-E99 WeakPolarHBondContact CG-OE2 3.41Å; R95-E99 IonicContact CZ-OE1 2.64Å; R95-E99 IonicContact CZ-OE2 3.76Å; R95-E99 VanDerWaalsContact NE-CD 3.33Å; R95-E99 IonicContact NE-OE1 2.89Å; R95-E99 PolarHBondContact NE-OE1 2.89Å; R95-E99 IonicContact NE-OE2 2.9Å; R95-E99 PolarHBondContact NE-OE2 3.1Å; R95-E99 IonicContact NH2-OE1 3.17Å; R95-E99 IonicContact NH2-OE2 3.74Å; R95-E99 WeakPolarHBondContact O-CB 2.74Å; R95-E99 PolarHBondContact O-N 3.07Å |
| 96 | I | 88.7 | Confident | 84.8 | Confident | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.005 | 36% | 0.359 | C | S | . | . | I | π-helix | trans | -58.8 | -42.9 | 176.1 | -66.6 | 166.4 | 0 | 0 | 0 | 110.4 | M73 V74 R77 V92 F93 V94 E100 G101 T104 L105 | M73-I96 HydrophobicContact CG-CD1 4.33Å; V74-I96 HydrophobicContact CG2-CD1 4.23Å; R77-I96 HydrophobicContact CB-CD1 4.49Å; R77-I96 HydrophobicContact CG-CD1 3.9Å; V92-I96 HydrophobicContact CG1-CD1 3.72Å; V92-I96 HydrophobicContact CG1-CG1 4.35Å; V92-I96 VanDerWaalsContact O-CG1 3.26Å; V92-I96 WeakPolarHBondContact O-CG1 3.28Å; V92-I96 PolarHBondContact O-N 3.12Å; F93-I96 PolarHBondContact O-N 2.99Å; V94-I96 PolarHBondContact O-N 3.28Å; I96-E100 CarbonylContact O-C 3.5Å; I96-E100 WeakPolarHBondContact O-CA 3.46Å; I96-E100 WeakPolarHBondContact O-CB 3.43Å; I96-E100 PolarHBondContact O-N 3.37Å; I96-G101 PolarHBondContact O-N 3.29Å; I96-G101 VanDerWaalsContact O-N 3.1Å; I96-T104 HydrophobicContact CG2-CG2 4Å; I96-L105 HydrophobicContact CB-CD2 4.32Å; I96-L105 HydrophobicContact CG2-CD2 3.86Å; I96-L105 HydrophobicContact CG2-CG 4.24Å |
| 97 | S | 90.4 | Very high | 85.8 | Confident | 25 Ų | 25 | 72.2 Ų | 72.2 | 18% | 0.175 | 36% | 0.364 | C | S | . | . | I | π-helix | trans | -67.6 | -37.4 | -177.3 | -57.8 | 0 | 0 | 0 | 0 | 112.7 | F93 V94 R95 G101 | F93-S97 WeakPolarHBondContact O-CB 3.15Å; F93-S97 PolarHBondContact O-N 3.03Å; F93-S97 PolarHBondContact O-OG 3Å; V94-S97 PolarHBondContact O-N 3.3Å; V94-S97 VanDerWaalsContact O-N 3.17Å; R95-S97 VanDerWaalsContact C-N 3.26Å; R95-S97 PolarHBondContact O-N 3.17Å; S97-G101 VanDerWaalsContact O-CA 3.27Å; S97-G101 WeakPolarHBondContact O-CA 3.5Å; S97-G101 PolarHBondContact O-N 3.06Å |
| 98 | Q | 90.1 | Very high | 86.8 | Confident | 157 Ų | 157 | 68.1 Ų | 68.1 | 73% | 0.734 | 34% | 0.337 | S | S | * | . | I | π-helix | trans | -82.2 | -44.1 | -179.3 | -71.9 | 179.8 | -17.3 | 0 | 0 | 112.9 | V94 R95 | V94-Q98 HydrophobicContact CG1-CG 4.22Å; V94-Q98 WeakPolarHBondContact O-CB 3.4Å; V94-Q98 WeakPolarHBondContact O-CG 3.26Å; V94-Q98 PolarHBondContact O-N 3.05Å; R95-Q98 PolarHBondContact O-N 3.08Å |
| 99 | E | 88.6 | Confident | 87.4 | Confident | 125 Ų | 125 | 65.2 Ų | 65.2 | 58% | 0.584 | 32% | 0.319 | S | S | * | . | I | π-helix | trans | -85.6 | -35.1 | -174.6 | -64 | 180 | -177.4 | 0 | 0 | 112.8 | R95 | R95-E99 HydrophobicContact CG-CG 4.05Å; R95-E99 VanDerWaalsContact CG-OE1 3.26Å; R95-E99 WeakPolarHBondContact CG-OE1 3.42Å; R95-E99 WeakPolarHBondContact CG-OE2 3.41Å; R95-E99 IonicContact CZ-OE1 2.64Å; R95-E99 IonicContact CZ-OE2 3.76Å; R95-E99 VanDerWaalsContact NE-CD 3.33Å; R95-E99 IonicContact NE-OE1 2.89Å; R95-E99 PolarHBondContact NE-OE1 2.89Å; R95-E99 IonicContact NE-OE2 2.9Å; R95-E99 PolarHBondContact NE-OE2 3.1Å; R95-E99 IonicContact NH2-OE1 3.17Å; R95-E99 IonicContact NH2-OE2 3.74Å; R95-E99 WeakPolarHBondContact O-CB 2.74Å; R95-E99 PolarHBondContact O-N 3.07Å |
| 100 | E | 86.4 | Confident | 87.8 | Confident | 63 Ų | 63 | 67.4 Ų | 67.4 | 29% | 0.294 | 33% | 0.334 | S | S | . | . | I | π-helix | trans | -118.4 | -6 | -173 | -58 | -177.5 | -127.3 | 0 | 0 | 113.7 | R77 I96 T104 | R77-E100 IonicContact CZ-OE1 3.86Å; R77-E100 IonicContact CZ-OE2 3.87Å; R77-E100 IonicContact NH1-OE1 2.78Å; R77-E100 PolarHBondContact NH1-OE1 3.29Å; R77-E100 IonicContact NH1-OE2 3.06Å; R77-E100 VanDerWaalsContact NH2-CD 3.31Å; R77-E100 IonicContact NH2-OE1 3.14Å; R77-E100 PolarHBondContact NH2-OE1 3.34Å; R77-E100 VanDerWaalsContact NH2-OE1 3.12Å; R77-E100 IonicContact NH2-OE2 3.87Å; R77-E100 PolarHBondContact NH2-OE2 3.45Å; I96-E100 CarbonylContact O-C 3.5Å; I96-E100 WeakPolarHBondContact O-CA 3.46Å; I96-E100 WeakPolarHBondContact O-CB 3.43Å; I96-E100 PolarHBondContact O-N 3.37Å; E100-T104 HydrophobicContact CB-CG2 3.98Å; E100-T104 PolarHBondContact O-OG1 3.03Å; E100-T104 WeakPolarHBondContact OE2-CG2 3.4Å |
| 101 | G | 88.7 | Confident | 88 | Confident | 29 Ų | 29 | 60.7 Ų | 60.7 | 30% | 0.299 | 30% | 0.301 | S | S | . | . | trans | 82.3 | 153.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | I96 S97 K103 T104 | I96-G101 PolarHBondContact O-N 3.29Å; I96-G101 VanDerWaalsContact O-N 3.1Å; S97-G101 VanDerWaalsContact O-CA 3.27Å; S97-G101 WeakPolarHBondContact O-CA 3.5Å; S97-G101 PolarHBondContact O-N 3.06Å; G101-K103 VanDerWaalsContact C-N 3.27Å; G101-K103 PolarHBondContact O-N 3.42Å; G101-T104 VanDerWaalsContact O-CB 3.25Å; G101-T104 WeakPolarHBondContact O-CB 3.36Å; G101-T104 PolarHBondContact O-N 3.48Å | ||
| 102 | V | 88.7 | Confident | 88.2 | Confident | 96 Ų | 96 | 57.7 Ų | 57.7 | 58% | 0.582 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -59.8 | -32.9 | -175.6 | -177.6 | 0 | 0 | 0 | 0 | 113.1 | T104 L105 | V102-T104 PolarHBondContact O-N 3.14Å; V102-L105 HydrophobicContact CG1-CD1 4.23Å; V102-L105 WeakPolarHBondContact O-CB 3.3Å; V102-L105 PolarHBondContact O-N 2.8Å; V102-L105 VanDerWaalsContact O-N 3.11Å |
| 103 | K | 88.4 | Confident | 88.3 | Confident | 190 Ų | 190 | 60.9 Ų | 60.9 | 83% | 0.826 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -60.9 | -27.4 | 177.2 | -67.6 | -176.7 | -178.4 | 177.7 | 0 | 112.3 | G101 L105 Y106 | G101-K103 VanDerWaalsContact C-N 3.27Å; G101-K103 PolarHBondContact O-N 3.42Å; K103-L105 PolarHBondContact O-N 2.83Å; K103-Y106 PolarHBondContact O-N 3.13Å; K103-Y106 VanDerWaalsContact O-N 3.11Å |
| 104 | T | 88.3 | Confident | 88.3 | Confident | 19 Ų | 19 | 61.1 Ų | 61.1 | 12% | 0.117 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -65.5 | -26.7 | 179 | -63.6 | 0 | 0 | 0 | 0 | 112.1 | M73 I96 E100 G101 V102 Y106 K107 | M73-T104 VanDerWaalsContact CE-O 3.25Å; M73-T104 WeakPolarHBondContact CE-O 3.34Å; I96-T104 HydrophobicContact CG2-CG2 4Å; E100-T104 HydrophobicContact CB-CG2 3.98Å; E100-T104 PolarHBondContact O-OG1 3.03Å; E100-T104 WeakPolarHBondContact OE2-CG2 3.4Å; G101-T104 VanDerWaalsContact O-CB 3.25Å; G101-T104 WeakPolarHBondContact O-CB 3.36Å; G101-T104 PolarHBondContact O-N 3.48Å; V102-T104 PolarHBondContact O-N 3.14Å; T104-Y106 PolarHBondContact O-N 3.05Å; T104-Y106 VanDerWaalsContact O-N 3.12Å; T104-K107 HydrophobicContact CG2-CD 4.4Å; T104-K107 WeakPolarHBondContact O-CB 3.45Å; T104-K107 PolarHBondContact O-N 2.96Å |
| 105 | L | 89.1 | Confident | 88.2 | Confident | 3 Ų | 3 | 58.6 Ų | 58.6 | 2% | 0.016 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -59.6 | -24.4 | 174.3 | -65.8 | 167.4 | 0 | 0 | 0 | 112.9 | Y69 P70 M73 F93 I96 V102 K103 | Y69-L105 WeakPolarHBondContact CD1-O 3.36Å; Y69-L105 WeakPolarHBondContact CE1-O 3.35Å; P70-L105 HydrophobicContact CB-CB 4.13Å; P70-L105 HydrophobicContact CB-CD1 4.39Å; P70-L105 HydrophobicContact CB-CD2 4.33Å; P70-L105 HydrophobicContact CG-CB 4.32Å; M73-L105 WeakPolarHBondContact CB-O 3.42Å; F93-L105 HydrophobicContact CD2-CD1 4.11Å; F93-L105 HydrophobicContact CD2-CD2 3.89Å; F93-L105 HydrophobicContact CE2-CD1 3.4Å; F93-L105 HydrophobicContact CE2-CD2 4.01Å; F93-L105 HydrophobicContact CE2-CG 4.35Å; F93-L105 HydrophobicContact CZ-CD1 3.78Å; I96-L105 HydrophobicContact CB-CD2 4.32Å; I96-L105 HydrophobicContact CG2-CD2 3.86Å; I96-L105 HydrophobicContact CG2-CG 4.24Å; V102-L105 HydrophobicContact CG1-CD1 4.23Å; V102-L105 WeakPolarHBondContact O-CB 3.3Å; V102-L105 PolarHBondContact O-N 2.8Å; V102-L105 VanDerWaalsContact O-N 3.11Å; K103-L105 PolarHBondContact O-N 2.83Å |
| 106 | Y | 90.4 | Very high | 88.2 | Confident | 91 Ų | 91 | 59.2 Ų | 59.2 | 36% | 0.357 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -101.2 | 3.8 | 178.9 | -70.4 | -90.8 | 0 | 0 | 0 | 114 | M66 Y69 P70 K103 T104 G108 F109 | M66-Y106 WeakPolarHBondContact O-CE1 3.34Å; M66-Y106 PolarHBondContact O-OH 2.97Å; Y69-Y106 HydrophobicContact CD1-CD1 4.07Å; Y69-Y106 HydrophobicContact CD1-CG 4.44Å; Y69-Y106 HydrophobicContact CG-CD1 4.4Å; P70-Y106 HydrophobicContact CG-CE1 4.48Å; P70-Y106 HydrophobicContact CG-CE2 3.88Å; K103-Y106 PolarHBondContact O-N 3.13Å; K103-Y106 VanDerWaalsContact O-N 3.11Å; T104-Y106 PolarHBondContact O-N 3.05Å; T104-Y106 VanDerWaalsContact O-N 3.12Å; Y106-G108 PolarHBondContact O-N 3.41Å; Y106-F109 VanDerWaalsContact O-CB 3.26Å; Y106-F109 WeakPolarHBondContact O-CB 3.45Å; Y106-F109 PolarHBondContact O-N 3.31Å |
| 107 | K | 86.3 | Confident | 88.2 | Confident | 47 Ų | 47 | 64.6 Ų | 64.6 | 20% | 0.204 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | 123.2 | -178.3 | -162.6 | 170.9 | -177.6 | 176.8 | 0 | 110.4 | Y69 M73 T104 M173 Y183 | Y69-K107 PolarHBondContact OH-O 3.29Å; M73-K107 HydrophobicContact CE-CB 3.99Å; M73-K107 WeakPolarHBondContact CE-O 3.38Å; T104-K107 HydrophobicContact CG2-CD 4.4Å; T104-K107 WeakPolarHBondContact O-CB 3.45Å; T104-K107 PolarHBondContact O-N 2.96Å; K107-M173 HydrophobicContact CG-CB 4.43Å; K107-M173 HydrophobicContact CG-CE 4.17Å; K107-Y183 WeakPolarHBondContact CE-O 3.27Å; K107-Y183 PolarHBondContact NZ-O 3.43Å |
| 108 | G | 85.3 | Confident | 88.2 | Confident | 3 Ų | 3 | 65.2 Ų | 65.2 | 3% | 0.031 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94.8 | -1.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y69 Y106 P111 T112 | Y69-G108 WeakPolarHBondContact OH-CA 3.46Å; Y69-G108 PolarHBondContact OH-O 3.15Å; Y69-G108 VanDerWaalsContact OH-O 3.05Å; Y106-G108 PolarHBondContact O-N 3.41Å; G108-P111 VanDerWaalsContact C-CD 3.41Å; G108-P111 VanDerWaalsContact O-CD 3.27Å; G108-P111 WeakPolarHBondContact O-CD 3.18Å; G108-P111 VanDerWaalsContact O-CG 3.25Å; G108-P111 WeakPolarHBondContact O-CG 3.28Å; G108-T112 PolarHBondContact O-N 3.41Å; G108-T112 VanDerWaalsContact O-N 3.14Å; G108-T112 PolarHBondContact O-OG1 3.28Å |
| 109 | F | 88.3 | Confident | 88.2 | Confident | 43 Ų | 43 | 62.6 Ų | 62.6 | 19% | 0.189 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 174.8 | -178.3 | -109.1 | 0 | 0 | 0 | 110.8 | M66 Y69 Y106 T112 I113 | M66-F109 HydrophobicContact CB-CZ 4.32Å; Y69-F109 HydrophobicContact CD1-CB 4.21Å; Y69-F109 HydrophobicContact CD2-CB 4.31Å; Y69-F109 AromaticContact CD2-CD2 3.46Å; Y69-F109 HydrophobicContact CD2-CD2 3.46Å; Y69-F109 VanDerWaalsContact CD2-CD2 3.46Å; Y69-F109 HydrophobicContact CD2-CE2 4.26Å; Y69-F109 HydrophobicContact CD2-CG 4.35Å; Y69-F109 HydrophobicContact CE1-CB 3.93Å; Y69-F109 HydrophobicContact CE2-CB 4Å; Y69-F109 AromaticContact CE2-CD2 3.74Å; Y69-F109 HydrophobicContact CE2-CD2 3.74Å; Y69-F109 HydrophobicContact CE2-CG 4.38Å; Y69-F109 HydrophobicContact CG-CB 4.38Å; Y69-F109 AromaticContact CG-CD2 3.86Å; Y69-F109 HydrophobicContact CG-CD2 3.86Å; Y69-F109 VanDerWaalsContact CZ-CA 3.5Å; Y69-F109 PolarHBondContact OH-N 3.03Å; Y106-F109 VanDerWaalsContact O-CB 3.26Å; Y106-F109 WeakPolarHBondContact O-CB 3.45Å; Y106-F109 PolarHBondContact O-N 3.31Å; F109-T112 WeakPolarHBondContact O-CA 3.38Å; F109-T112 WeakPolarHBondContact O-CB 3.43Å; F109-T112 PolarHBondContact O-N 3.45Å; F109-I113 HydrophobicContact CD1-CG1 4.31Å; F109-I113 HydrophobicContact CE1-CD1 4.42Å; F109-I113 HydrophobicContact CE1-CG1 3.9Å; F109-I113 HydrophobicContact CE2-CD1 4.05Å; F109-I113 HydrophobicContact CE2-CG1 4.18Å; F109-I113 HydrophobicContact CZ-CD1 3.86Å; F109-I113 HydrophobicContact CZ-CG1 3.84Å; F109-I113 PolarHBondContact O-N 2.88Å |
| 110 | T | 88.4 | Confident | 88.2 | Confident | 87 Ų | 87 | 58.2 Ų | 58.2 | 53% | 0.534 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -56 | -53.1 | 176.8 | -45 | 0 | 0 | 0 | 0 | 113.5 | T112 I113 L114 I186 | T110-T112 PolarHBondContact O-N 2.88Å; T110-I113 PolarHBondContact O-N 3.4Å; T110-L114 HydrophobicContact CG2-CD1 4.03Å; T110-L114 HydrophobicContact CG2-CG 4.46Å; T110-L114 WeakPolarHBondContact O-CB 3.12Å; T110-L114 WeakPolarHBondContact O-CG 3.46Å; T110-L114 PolarHBondContact O-N 3.06Å; T110-I186 HydrophobicContact CG2-CD1 3.9Å |
| 111 | P | 87.4 | Confident | 88.5 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.013 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.2 | -23.6 | 175.3 | 24.9 | -33.7 | 0 | 0 | 0 | 113.1 | G108 G115 V169 R170 M173 I186 | G108-P111 VanDerWaalsContact C-CD 3.41Å; G108-P111 VanDerWaalsContact O-CD 3.27Å; G108-P111 WeakPolarHBondContact O-CD 3.18Å; G108-P111 VanDerWaalsContact O-CG 3.25Å; G108-P111 WeakPolarHBondContact O-CG 3.28Å; P111-G115 PolarHBondContact O-N 2.99Å; P111-V169 HydrophobicContact CB-CG1 4.33Å; P111-R170 HydrophobicContact CB-CB 4.3Å; P111-R170 HydrophobicContact CG-CB 4.16Å; P111-M173 HydrophobicContact CG-SD 3.95Å; P111-I186 HydrophobicContact CB-CD1 3.94Å; P111-I186 HydrophobicContact CB-CG1 4.15Å; P111-I186 HydrophobicContact CG-CD1 4.31Å; P111-I186 HydrophobicContact CG-CG1 4.27Å |
| 112 | T | 87.3 | Confident | 88.8 | Confident | 24 Ų | 24 | 58.5 Ų | 58.5 | 15% | 0.147 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.8 | -54 | 171.7 | -53.5 | 0 | 0 | 0 | 0 | 110.5 | G108 F109 T110 G115 V116 R170 | G108-T112 PolarHBondContact O-N 3.41Å; G108-T112 VanDerWaalsContact O-N 3.14Å; G108-T112 PolarHBondContact O-OG1 3.28Å; F109-T112 WeakPolarHBondContact O-CA 3.38Å; F109-T112 WeakPolarHBondContact O-CB 3.43Å; F109-T112 PolarHBondContact O-N 3.45Å; T110-T112 PolarHBondContact O-N 2.88Å; T112-G115 PolarHBondContact O-N 2.86Å; T112-V116 WeakPolarHBondContact O-CG2 3.43Å; T112-V116 PolarHBondContact O-N 3.33Å; T112-R170 WeakPolarHBondContact OG1-CD 3.47Å; T112-R170 WeakPolarHBondContact OG1-CG 3.42Å; T112-R170 PolarHBondContact OG1-NE 3.05Å |
| 113 | I | 87 | Confident | 89 | Confident | 67 Ų | 67 | 55.1 Ų | 55.1 | 34% | 0.344 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.1 | -45 | -179.8 | -60 | -57.9 | 0 | 0 | 0 | 110.8 | F109 T110 G115 V116 | F109-I113 HydrophobicContact CD1-CG1 4.31Å; F109-I113 HydrophobicContact CE1-CD1 4.42Å; F109-I113 HydrophobicContact CE1-CG1 3.9Å; F109-I113 HydrophobicContact CE2-CD1 4.05Å; F109-I113 HydrophobicContact CE2-CG1 4.18Å; F109-I113 HydrophobicContact CZ-CD1 3.86Å; F109-I113 HydrophobicContact CZ-CG1 3.84Å; F109-I113 PolarHBondContact O-N 2.88Å; T110-I113 PolarHBondContact O-N 3.4Å; I113-G115 PolarHBondContact O-N 3.08Å; I113-V116 PolarHBondContact O-N 3.35Å |
| 114 | L | 89.3 | Confident | 89.1 | Confident | 79 Ų | 79 | 52.5 Ų | 52.5 | 41% | 0.414 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.5 | -28.5 | 177.5 | -71.2 | 176.9 | 0 | 0 | 0 | 113 | T110 P118 L166 I186 | T110-L114 HydrophobicContact CG2-CD1 4.03Å; T110-L114 HydrophobicContact CG2-CG 4.46Å; T110-L114 WeakPolarHBondContact O-CB 3.12Å; T110-L114 WeakPolarHBondContact O-CG 3.46Å; T110-L114 PolarHBondContact O-N 3.06Å; L114-P118 WeakPolarHBondContact O-CD 3.34Å; L114-L166 HydrophobicContact CB-CD1 4.43Å; L114-I186 HydrophobicContact CD1-CD1 3.65Å |
| 115 | G | 87.2 | Confident | 89.5 | Confident | 10 Ų | 10 | 58.5 Ų | 58.5 | 10% | 0.103 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -75.9 | -27.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | P111 T112 I113 P118 Y119 | P111-G115 PolarHBondContact O-N 2.99Å; T112-G115 PolarHBondContact O-N 2.86Å; I113-G115 PolarHBondContact O-N 3.08Å; G115-P118 WeakPolarHBondContact O-CD 3.5Å; G115-P118 WeakPolarHBondContact O-CG 3.43Å; G115-Y119 WeakPolarHBondContact O-CB 3.41Å; G115-Y119 PolarHBondContact O-N 3.04Å |
| 116 | V | 87.2 | Confident | 89.8 | Confident | 82 Ų | 82 | 59.1 Ų | 59.1 | 50% | 0.497 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67 | -37.8 | 178.7 | 171.4 | 0 | 0 | 0 | 0 | 111.5 | T112 I113 Y119 A120 | T112-V116 WeakPolarHBondContact O-CG2 3.43Å; T112-V116 PolarHBondContact O-N 3.33Å; I113-V116 PolarHBondContact O-N 3.35Å; V116-Y119 PolarHBondContact O-N 3.06Å; V116-A120 WeakPolarHBondContact O-CB 3.27Å; V116-A120 PolarHBondContact O-N 3.44Å |
| 117 | I | 88.6 | Confident | 89.9 | Confident | 114 Ų | 114 | 56.8 Ų | 56.8 | 59% | 0.585 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -59.7 | -57 | -178.6 | -57.7 | 174.6 | 0 | 0 | 0 | 112.3 | Y119 A120 G121 | I117-Y119 VanDerWaalsContact C-N 3.32Å; I117-Y119 PolarHBondContact O-N 3.25Å; I117-A120 PolarHBondContact O-N 3.25Å; I117-G121 PolarHBondContact O-N 3.45Å |
| 118 | P | 90.5 | Very high | 90.2 | Very high | 39 Ų | 39 | 59.2 Ų | 59.2 | 25% | 0.253 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.6 | -34.8 | 178.2 | 26.4 | -33.7 | 0 | 0 | 0 | 111.8 | L114 G115 I122 L166 | L114-P118 WeakPolarHBondContact O-CD 3.34Å; G115-P118 WeakPolarHBondContact O-CD 3.5Å; G115-P118 WeakPolarHBondContact O-CG 3.43Å; P118-I122 VanDerWaalsContact O-CB 3.28Å; P118-I122 WeakPolarHBondContact O-CB 3.25Å; P118-I122 WeakPolarHBondContact O-CG1 3.31Å; P118-I122 PolarHBondContact O-N 2.91Å; P118-L166 HydrophobicContact CG-CD1 4.1Å |
| 119 | Y | 90.8 | Very high | 90.6 | Very high | 102 Ų | 102 | 62.3 Ų | 62.3 | 40% | 0.4 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58 | -55.3 | 174.9 | 175.1 | -106.6 | 0 | 0 | 0 | 111.1 | G115 V116 I117 T123 Q160 | G115-Y119 WeakPolarHBondContact O-CB 3.41Å; G115-Y119 PolarHBondContact O-N 3.04Å; V116-Y119 PolarHBondContact O-N 3.06Å; I117-Y119 VanDerWaalsContact C-N 3.32Å; I117-Y119 PolarHBondContact O-N 3.25Å; Y119-T123 WeakPolarHBondContact O-CB 3.39Å; Y119-T123 PolarHBondContact O-N 2.69Å; Y119-T123 PolarHBondContact O-OG1 3.24Å; Y119-Q160 HydrophobicContact CE2-CB 4.22Å |
| 120 | A | 89.3 | Confident | 90.9 | Very high | 32 Ų | 32 | 62.5 Ų | 62.5 | 26% | 0.264 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.2 | -49.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | V116 I117 I122 T123 F124 | V116-A120 WeakPolarHBondContact O-CB 3.27Å; V116-A120 PolarHBondContact O-N 3.44Å; I117-A120 PolarHBondContact O-N 3.25Å; A120-I122 PolarHBondContact O-N 3.27Å; A120-T123 PolarHBondContact O-N 3.14Å; A120-F124 HydrophobicContact CB-CD2 4.38Å; A120-F124 HydrophobicContact CB-CE2 4.4Å; A120-F124 WeakPolarHBondContact O-CB 3.45Å; A120-F124 WeakPolarHBondContact O-CD2 3.37Å; A120-F124 PolarHBondContact O-N 2.92Å |
| 121 | G | 91.9 | Very high | 91 | Very high | 43 Ų | 43 | 60.5 Ų | 60.5 | 44% | 0.443 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57.6 | -49.2 | -178 | 0 | 0 | 0 | 0 | 0 | 112.8 | I117 F125 | I117-G121 PolarHBondContact O-N 3.45Å; G121-F125 WeakPolarHBondContact O-CB 2.96Å; G121-F125 PolarHBondContact O-N 2.96Å |
| 122 | I | 94.3 | Very high | 91.2 | Very high | 55 Ų | 55 | 67.3 Ų | 67.3 | 28% | 0.282 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -71.7 | -39.3 | -179.2 | -65.9 | 170 | 0 | 0 | 0 | 111 | P118 A120 F125 T126 I158 A162 | P118-I122 VanDerWaalsContact O-CB 3.28Å; P118-I122 WeakPolarHBondContact O-CB 3.25Å; P118-I122 WeakPolarHBondContact O-CG1 3.31Å; P118-I122 PolarHBondContact O-N 2.91Å; A120-I122 PolarHBondContact O-N 3.27Å; I122-F125 PolarHBondContact O-N 2.89Å; I122-T126 VanDerWaalsContact O-CB 3.31Å; I122-T126 WeakPolarHBondContact O-CB 3.31Å; I122-T126 PolarHBondContact O-N 3.5Å; I122-T126 PolarHBondContact O-OG1 3.22Å; I122-I158 HydrophobicContact CG2-CG2 3.76Å; I122-A162 HydrophobicContact CD1-CB 3.2Å; I122-A162 HydrophobicContact CG1-CB 4.47Å; I122-A162 HydrophobicContact CG2-CB 4.46Å |
| 123 | T | 93 | Very high | 91.4 | Very high | 25 Ų | 25 | 70.4 Ų | 70.4 | 15% | 0.153 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.1 | -50.6 | 175.4 | -58.8 | 0 | 0 | 0 | 0 | 110.9 | Y119 A120 T126 Y127 A155 | Y119-T123 WeakPolarHBondContact O-CB 3.39Å; Y119-T123 PolarHBondContact O-N 2.69Å; Y119-T123 PolarHBondContact O-OG1 3.24Å; A120-T123 PolarHBondContact O-N 3.14Å; T123-T126 PolarHBondContact O-N 2.93Å; T123-Y127 VanDerWaalsContact O-CB 3.25Å; T123-Y127 WeakPolarHBondContact O-CB 3.33Å; T123-Y127 PolarHBondContact O-N 3.39Å; T123-A155 HydrophobicContact CG2-CB 4.04Å; T123-A155 WeakPolarHBondContact O-CB 3.36Å |
| 124 | F | 92.3 | Very high | 91.6 | Very high | 136 Ų | 136 | 68.4 Ų | 68.4 | 60% | 0.596 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -64.9 | -44.4 | 178.4 | -76.7 | -63.5 | 0 | 0 | 0 | 111.9 | A120 T126 Y127 E128 | A120-F124 HydrophobicContact CB-CD2 4.38Å; A120-F124 HydrophobicContact CB-CE2 4.4Å; A120-F124 WeakPolarHBondContact O-CB 3.45Å; A120-F124 WeakPolarHBondContact O-CD2 3.37Å; A120-F124 PolarHBondContact O-N 2.92Å; F124-T126 PolarHBondContact O-N 3.32Å; F124-Y127 PolarHBondContact O-N 3Å; F124-E128 WeakPolarHBondContact O-CB 3.36Å; F124-E128 WeakPolarHBondContact O-CG 3.33Å; F124-E128 PolarHBondContact O-N 2.65Å |
| 125 | F | 95.3 | Very high | 91.7 | Very high | 144 Ų | 144 | 66 Ų | 66 | 63% | 0.632 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -57.2 | -49.5 | 177.2 | 176.2 | -97.5 | 0 | 0 | 0 | 112 | G121 I122 T129 | G121-F125 WeakPolarHBondContact O-CB 2.96Å; G121-F125 PolarHBondContact O-N 2.96Å; I122-F125 PolarHBondContact O-N 2.89Å; F125-T129 VanDerWaalsContact O-CB 3.26Å; F125-T129 WeakPolarHBondContact O-CB 3.48Å; F125-T129 PolarHBondContact O-N 2.67Å; F125-T129 PolarHBondContact O-OG1 3.37Å |
| 126 | T | 95.1 | Very high | 91.8 | Very high | 17 Ų | 17 | 70.7 Ų | 70.7 | 10% | 0.104 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 178.4 | -61.1 | 0 | 0 | 0 | 0 | 111.4 | I122 T123 F124 T129 L130 A155 I158 | I122-T126 VanDerWaalsContact O-CB 3.31Å; I122-T126 WeakPolarHBondContact O-CB 3.31Å; I122-T126 PolarHBondContact O-N 3.5Å; I122-T126 PolarHBondContact O-OG1 3.22Å; T123-T126 PolarHBondContact O-N 2.93Å; F124-T126 PolarHBondContact O-N 3.32Å; T126-T129 PolarHBondContact O-N 3.42Å; T126-L130 HydrophobicContact CG2-CD1 3.97Å; T126-L130 HydrophobicContact CG2-CG 4.35Å; T126-L130 WeakPolarHBondContact O-CB 3.29Å; T126-L130 VanDerWaalsContact O-CG 3.29Å; T126-L130 WeakPolarHBondContact O-CG 3.37Å; T126-L130 PolarHBondContact O-N 3.26Å; T126-A155 HydrophobicContact CG2-CB 4.02Å; T126-I158 HydrophobicContact CG2-CD1 3.75Å |
| 127 | Y | 93 | Very high | 91.8 | Very high | 41 Ų | 41 | 74.7 Ų | 74.7 | 16% | 0.161 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61 | -48.4 | 178.8 | -177 | -105.8 | 0 | 0 | 0 | 112.3 | T123 F124 L130 K131 F151 | T123-Y127 VanDerWaalsContact O-CB 3.25Å; T123-Y127 WeakPolarHBondContact O-CB 3.33Å; T123-Y127 PolarHBondContact O-N 3.39Å; F124-Y127 PolarHBondContact O-N 3Å; Y127-L130 PolarHBondContact O-N 3.29Å; Y127-K131 HydrophobicContact CD1-CD 4.17Å; Y127-K131 HydrophobicContact CE1-CD 3.58Å; Y127-K131 HydrophobicContact CE1-CG 4.32Å; Y127-K131 WeakPolarHBondContact O-CG 3.32Å; Y127-K131 PolarHBondContact O-N 2.93Å; Y127-F151 HydrophobicContact CD2-CB 3.86Å; Y127-F151 HydrophobicContact CE2-CB 3.9Å |
| 128 | E | 92.9 | Very high | 91.7 | Very high | 98 Ų | 98 | 71.6 Ų | 71.6 | 46% | 0.458 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.3 | -40 | 177.9 | -67.3 | -57.5 | 145.1 | 0 | 0 | 111.8 | F124 K131 K132 | F124-E128 WeakPolarHBondContact O-CB 3.36Å; F124-E128 WeakPolarHBondContact O-CG 3.33Å; F124-E128 PolarHBondContact O-N 2.65Å; E128-K131 PolarHBondContact O-N 3.46Å; E128-K131 WeakPolarHBondContact OE1-CE 3.45Å; E128-K131 IonicContact OE1-NZ 3.14Å; E128-K131 PolarHBondContact OE1-NZ 2.87Å; E128-K131 WeakPolarHBondContact OE2-CE 2.86Å; E128-K131 IonicContact OE2-NZ 3.59Å; E128-K131 PolarHBondContact OE2-NZ 2.89Å; E128-K132 WeakPolarHBondContact O-CB 3.39Å; E128-K132 PolarHBondContact O-N 3.34Å |
| 129 | T | 94.6 | Very high | 91.4 | Very high | 68 Ų | 68 | 79 Ų | 79 | 42% | 0.417 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 176.5 | -59.5 | 0 | 0 | 0 | 0 | 111.6 | F125 T126 K132 L133 | F125-T129 VanDerWaalsContact O-CB 3.26Å; F125-T129 WeakPolarHBondContact O-CB 3.48Å; F125-T129 PolarHBondContact O-N 2.67Å; F125-T129 PolarHBondContact O-OG1 3.37Å; T126-T129 PolarHBondContact O-N 3.42Å; T129-K132 PolarHBondContact O-N 3.49Å; T129-L133 WeakPolarHBondContact O-CB 3.35Å; T129-L133 PolarHBondContact O-N 3.22Å |
| 130 | L | 92.8 | Very high | 90.9 | Very high | 48 Ų | 48 | 79.6 Ų | 79.6 | 25% | 0.251 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 177.6 | -72.6 | 174 | 0 | 0 | 0 | 112 | T126 Y127 H134 F151 C154 | T126-L130 HydrophobicContact CG2-CD1 3.97Å; T126-L130 HydrophobicContact CG2-CG 4.35Å; T126-L130 WeakPolarHBondContact O-CB 3.29Å; T126-L130 VanDerWaalsContact O-CG 3.29Å; T126-L130 WeakPolarHBondContact O-CG 3.37Å; T126-L130 PolarHBondContact O-N 3.26Å; Y127-L130 PolarHBondContact O-N 3.29Å; L130-H134 WeakPolarHBondContact O-CB 3.38Å; L130-H134 PolarHBondContact O-N 2.89Å; L130-F151 HydrophobicContact CB-CB 4.08Å; L130-F151 HydrophobicContact CB-CD1 3.94Å; L130-F151 HydrophobicContact CB-CD2 4.33Å; L130-F151 HydrophobicContact CB-CG 3.85Å; L130-F151 HydrophobicContact CD1-CB 4.07Å; L130-F151 HydrophobicContact CD1-CD1 4.21Å; L130-F151 HydrophobicContact CD1-CG 4.4Å; L130-C154 HydrophobicContact CD1-CB 3.95Å |
| 131 | K | 91.2 | Very high | 90.2 | Very high | 44 Ų | 44 | 83.2 Ų | 83.2 | 19% | 0.191 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -61.6 | -44.9 | 173.9 | -76.8 | -171.2 | -61.4 | 169.4 | 0 | 112 | Y127 E128 H134 A135 P143 F151 | Y127-K131 HydrophobicContact CD1-CD 4.17Å; Y127-K131 HydrophobicContact CE1-CD 3.58Å; Y127-K131 HydrophobicContact CE1-CG 4.32Å; Y127-K131 WeakPolarHBondContact O-CG 3.32Å; Y127-K131 PolarHBondContact O-N 2.93Å; E128-K131 PolarHBondContact O-N 3.46Å; E128-K131 WeakPolarHBondContact OE1-CE 3.45Å; E128-K131 IonicContact OE1-NZ 3.14Å; E128-K131 PolarHBondContact OE1-NZ 2.87Å; E128-K131 WeakPolarHBondContact OE2-CE 2.86Å; E128-K131 IonicContact OE2-NZ 3.59Å; E128-K131 PolarHBondContact OE2-NZ 2.89Å; K131-H134 PolarHBondContact O-N 2.9Å; K131-A135 WeakPolarHBondContact O-CB 3.36Å; K131-A135 PolarHBondContact O-N 3.41Å; K131-P143 HydrophobicContact CG-CG 4.17Å; K131-F151 HydrophobicContact CG-CD2 3.98Å; K131-F151 HydrophobicContact CG-CE2 4.47Å |
| 132 | K | 91.6 | Very high | 89.7 | Confident | 146 Ų | 146 | 87.5 Ų | 87.5 | 64% | 0.635 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -62.2 | -49 | 178.5 | -174.2 | 177.1 | 178.1 | -179.3 | 0 | 111.1 | E128 T129 H134 A135 D136 | E128-K132 WeakPolarHBondContact O-CB 3.39Å; E128-K132 PolarHBondContact O-N 3.34Å; T129-K132 PolarHBondContact O-N 3.49Å; K132-H134 VanDerWaalsContact C-N 3.28Å; K132-H134 PolarHBondContact O-N 2.82Å; K132-A135 PolarHBondContact O-N 3.19Å; K132-A135 VanDerWaalsContact O-N 3.15Å; K132-D136 VanDerWaalsContact O-CG 3.26Å; K132-D136 PolarHBondContact O-N 2.87Å |
| 133 | L | 91.8 | Very high | 89.3 | Confident | 88 Ų | 88 | 85.4 Ų | 85.4 | 46% | 0.461 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.7 | -38 | 177.8 | -174.7 | 67.4 | 0 | 0 | 0 | 112.3 | T129 K137 | T129-L133 WeakPolarHBondContact O-CB 3.35Å; T129-L133 PolarHBondContact O-N 3.22Å; L133-K137 WeakPolarHBondContact O-CG 3.31Å; L133-K137 PolarHBondContact O-N 3.2Å |
| 134 | H | 91.6 | Very high | 89 | Confident | 25 Ų | 25 | 89.9 Ų | 89.9 | 12% | 0.116 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -64.6 | -49 | 174.3 | 178.5 | 88.1 | 0 | 0 | 0 | 111.2 | L130 K131 K132 D136 K137 T138 E147 F151 | L130-H134 WeakPolarHBondContact O-CB 3.38Å; L130-H134 PolarHBondContact O-N 2.89Å; K131-H134 PolarHBondContact O-N 2.9Å; K132-H134 VanDerWaalsContact C-N 3.28Å; K132-H134 PolarHBondContact O-N 2.82Å; H134-D136 VanDerWaalsContact C-N 3.29Å; H134-D136 PolarHBondContact O-N 3.41Å; H134-K137 PolarHBondContact O-N 2.74Å; H134-K137 VanDerWaalsContact O-N 3.13Å; H134-T138 PolarHBondContact CD2-OG1 3.17Å; H134-T138 VanDerWaalsContact CE1-CG2 3.45Å; H134-T138 WeakPolarHBondContact CE1-CG2 3.17Å; H134-T138 PolarHBondContact NE2-OG1 2.98Å; H134-T138 PolarHBondContact O-N 3.07Å; H134-T138 PolarHBondContact O-OG1 3.2Å; H134-E147 VanDerWaalsContact CE1-CD 3.43Å; H134-E147 IonicContact CE1-OE1 3.2Å; H134-E147 PolarHBondContact CE1-OE1 2.68Å; H134-E147 IonicContact CE1-OE2 3.38Å; H134-E147 PolarHBondContact CE1-OE2 2.85Å; H134-E147 IonicContact NE2-OE1 3.98Å; H134-E147 IonicContact NE2-OE2 3.45Å; H134-E147 PolarHBondContact NE2-OE2 3.32Å; H134-F151 HydrophobicContact CB-CE2 3.88Å; H134-F151 HydrophobicContact CB-CZ 3.66Å; H134-F151 AromaticContact CG-CZ 3.8Å; H134-F151 AromaticContact ND1-CZ 3.82Å |
| 135 | A | 90.3 | Very high | 88.8 | Confident | 28 Ų | 28 | 88.4 Ų | 88.4 | 23% | 0.231 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -58.8 | -40.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K131 K132 K137 K139 R140 | K131-A135 WeakPolarHBondContact O-CB 3.36Å; K131-A135 PolarHBondContact O-N 3.41Å; K132-A135 PolarHBondContact O-N 3.19Å; K132-A135 VanDerWaalsContact O-N 3.15Å; A135-K137 VanDerWaalsContact C-N 3.33Å; A135-K137 PolarHBondContact O-N 2.64Å; A135-K139 WeakPolarHBondContact O-CA 3.5Å; A135-K139 PolarHBondContact O-N 2.89Å; A135-R140 WeakPolarHBondContact CA-O 3.42Å; A135-R140 WeakPolarHBondContact CB-O 3.47Å |
| 136 | D | 89.1 | Confident | 88.5 | Confident | 110 Ų | 110 | 88.7 Ų | 88.7 | 59% | 0.588 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -64.8 | -36.4 | 177.6 | -66.5 | -19.9 | 0 | 0 | 0 | 112 | K132 H134 | K132-D136 VanDerWaalsContact O-CG 3.26Å; K132-D136 PolarHBondContact O-N 2.87Å; H134-D136 VanDerWaalsContact C-N 3.29Å; H134-D136 PolarHBondContact O-N 3.41Å |
| 137 | K | 88.9 | Confident | 88.2 | Confident | 166 Ų | 166 | 89.1 Ų | 89.1 | 72% | 0.722 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -81.6 | -42.3 | -179.5 | -75.8 | -175.1 | 177.5 | -175 | 0 | 114 | L133 H134 A135 | L133-K137 WeakPolarHBondContact O-CG 3.31Å; L133-K137 PolarHBondContact O-N 3.2Å; H134-K137 PolarHBondContact O-N 2.74Å; H134-K137 VanDerWaalsContact O-N 3.13Å; A135-K137 VanDerWaalsContact C-N 3.33Å; A135-K137 PolarHBondContact O-N 2.64Å |
| 138 | T | 85.6 | Confident | 88 | Confident | 49 Ų | 49 | 92.7 Ų | 92.7 | 30% | 0.301 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -92.6 | -8.4 | -175.3 | 59.6 | 0 | 0 | 0 | 0 | 113 | H134 R140 | H134-T138 PolarHBondContact CD2-OG1 3.17Å; H134-T138 VanDerWaalsContact CE1-CG2 3.45Å; H134-T138 WeakPolarHBondContact CE1-CG2 3.17Å; H134-T138 PolarHBondContact NE2-OG1 2.98Å; H134-T138 PolarHBondContact O-N 3.07Å; H134-T138 PolarHBondContact O-OG1 3.2Å; T138-R140 PolarHBondContact O-N 3.27Å; T138-R140 VanDerWaalsContact O-N 3.15Å |
| 139 | K | 83.9 | Confident | 87.8 | Confident | 195 Ų | 195 | 94.2 Ų | 94.2 | 85% | 0.848 | 46% | 0.458 | S | S | * | . | trans | 55 | 19.8 | -170.2 | -62.6 | -170.2 | 177.2 | -175.6 | 0 | 113.6 | A135 | A135-K139 WeakPolarHBondContact O-CA 3.5Å; A135-K139 PolarHBondContact O-N 2.89Å | ||
| 140 | R | 80.9 | Confident | 87.7 | Confident | 113 Ų | 113 | 93.1 Ų | 93.1 | 43% | 0.426 | 46% | 0.456 | S | S | . | . | trans | -102.2 | 129 | 177.4 | -60.1 | -177.9 | -152 | 150.1 | 4.1 | 109.6 | A135 T138 Q142 Y144 | A135-R140 WeakPolarHBondContact CA-O 3.42Å; A135-R140 WeakPolarHBondContact CB-O 3.47Å; T138-R140 PolarHBondContact O-N 3.27Å; T138-R140 VanDerWaalsContact O-N 3.15Å; R140-Q142 VanDerWaalsContact C-N 3.26Å; R140-Q142 PolarHBondContact O-N 2.94Å; R140-Y144 VanDerWaalsContact NH1-CE2 3.26Å | ||
| 141 | S | 75.3 | Confident | 87.7 | Confident | 108 Ų | 108 | 92.2 Ų | 92.2 | 76% | 0.755 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -70.6 | -18.9 | 179.7 | -55 | 0 | 0 | 0 | 0 | 114 | ||
| 142 | Q | 80.8 | Confident | 87.7 | Confident | 133 Ų | 133 | 91.7 Ų | 91.7 | 62% | 0.621 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -135 | 124.4 | -178.7 | -67.9 | -64.9 | -32.3 | 0 | 0 | 111.1 | R140 | R140-Q142 VanDerWaalsContact C-N 3.26Å; R140-Q142 PolarHBondContact O-N 2.94Å |
| 143 | P | 84.9 | Confident | 87.7 | Confident | 12 Ų | 12 | 87.2 Ų | 87.2 | 8% | 0.078 | 45% | 0.447 | C | S | . | . | trans | -72.2 | 152.8 | 172.9 | 9.9 | -2 | 0 | 0 | 0 | 111.5 | K131 E147 R148 F151 | K131-P143 HydrophobicContact CG-CG 4.17Å; P143-E147 WeakPolarHBondContact CA-OE2 3.36Å; P143-E147 HydrophobicContact CB-CB 3.83Å; P143-E147 WeakPolarHBondContact CB-OE2 3.36Å; P143-R148 HydrophobicContact CB-CG 3.96Å; P143-R148 HydrophobicContact CG-CG 3.79Å; P143-R148 WeakPolarHBondContact O-CD 3.48Å; P143-F151 HydrophobicContact CB-CE2 3.87Å; P143-F151 HydrophobicContact CG-CD2 4.4Å; P143-F151 HydrophobicContact CG-CE2 3.93Å | ||
| 144 | Y | 88.4 | Confident | 87.7 | Confident | 119 Ų | 119 | 86 Ų | 86 | 47% | 0.467 | 45% | 0.445 | S | S | . | . | trans | -63.6 | 158.4 | 174.1 | -72.8 | -65.4 | 0 | 0 | 0 | 111.8 | R140 Y146 E147 R148 | R140-Y144 VanDerWaalsContact NH1-CE2 3.26Å; Y144-Y146 VanDerWaalsContact C-N 3.27Å; Y144-Y146 AromaticContact CD2-CE1 3.79Å; Y144-Y146 HydrophobicContact CD2-CE1 3.79Å; Y144-Y146 AromaticContact CD2-CZ 3.94Å; Y144-Y146 WeakPolarHBondContact CD2-OH 3.35Å; Y144-Y146 HydrophobicContact CG-CD1 4.46Å; Y144-Y146 AromaticContact CG-CE1 3.7Å; Y144-Y146 HydrophobicContact CG-CE1 3.7Å; Y144-Y146 PolarHBondContact O-N 3.02Å; Y144-E147 PolarHBondContact N-OE2 2.87Å; Y144-E147 WeakPolarHBondContact O-CB 3.46Å; Y144-E147 PolarHBondContact O-N 3.4Å; Y144-R148 WeakPolarHBondContact O-CG 3.4Å; Y144-R148 PolarHBondContact O-N 3.09Å | ||
| 145 | P | 88.1 | Confident | 87.8 | Confident | 105 Ų | 105 | 84.8 Ų | 84.8 | 68% | 0.682 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -53.2 | -39.7 | -179.9 | -28.7 | 36 | 0 | 0 | 0 | 114.4 | R148 L149 | P145-R148 PolarHBondContact O-N 3.25Å; P145-L149 WeakPolarHBondContact O-CB 3.49Å; P145-L149 PolarHBondContact O-N 3.42Å |
| 146 | Y | 88.3 | Confident | 87.8 | Confident | 149 Ų | 149 | 84.2 Ų | 84.2 | 58% | 0.584 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -69.5 | -33.3 | 177.8 | 69.3 | -92.9 | 0 | 0 | 0 | 112.7 | Y144 L149 A150 | Y144-Y146 VanDerWaalsContact C-N 3.27Å; Y144-Y146 AromaticContact CD2-CE1 3.79Å; Y144-Y146 HydrophobicContact CD2-CE1 3.79Å; Y144-Y146 AromaticContact CD2-CZ 3.94Å; Y144-Y146 WeakPolarHBondContact CD2-OH 3.35Å; Y144-Y146 HydrophobicContact CG-CD1 4.46Å; Y144-Y146 AromaticContact CG-CE1 3.7Å; Y144-Y146 HydrophobicContact CG-CE1 3.7Å; Y144-Y146 PolarHBondContact O-N 3.02Å; Y146-L149 WeakPolarHBondContact O-CB 3.28Å; Y146-L149 PolarHBondContact O-N 2.97Å; Y146-A150 PolarHBondContact O-N 3.42Å |
| 147 | E | 89.3 | Confident | 87.9 | Confident | 27 Ų | 27 | 82.3 Ų | 82.3 | 13% | 0.126 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -71 | -42.4 | 176 | -59.7 | 176 | 142.3 | 0 | 0 | 110.4 | H134 P143 Y144 L149 A150 F151 | H134-E147 VanDerWaalsContact CE1-CD 3.43Å; H134-E147 IonicContact CE1-OE1 3.2Å; H134-E147 PolarHBondContact CE1-OE1 2.68Å; H134-E147 IonicContact CE1-OE2 3.38Å; H134-E147 PolarHBondContact CE1-OE2 2.85Å; H134-E147 IonicContact NE2-OE1 3.98Å; H134-E147 IonicContact NE2-OE2 3.45Å; H134-E147 PolarHBondContact NE2-OE2 3.32Å; P143-E147 WeakPolarHBondContact CA-OE2 3.36Å; P143-E147 HydrophobicContact CB-CB 3.83Å; P143-E147 WeakPolarHBondContact CB-OE2 3.36Å; Y144-E147 PolarHBondContact N-OE2 2.87Å; Y144-E147 WeakPolarHBondContact O-CB 3.46Å; Y144-E147 PolarHBondContact O-N 3.4Å; E147-L149 VanDerWaalsContact C-N 3.26Å; E147-L149 PolarHBondContact O-N 3.43Å; E147-A150 PolarHBondContact O-N 2.89Å; E147-F151 HydrophobicContact CB-CE2 4.22Å; E147-F151 HydrophobicContact CB-CZ 4.1Å; E147-F151 WeakPolarHBondContact O-CD1 3.37Å; E147-F151 WeakPolarHBondContact O-CD2 3.48Å; E147-F151 WeakPolarHBondContact O-CG 3.31Å; E147-F151 PolarHBondContact O-N 2.78Å |
| 148 | R | 88.1 | Confident | 88.1 | Confident | 116 Ų | 116 | 78.4 Ų | 78.4 | 44% | 0.438 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.3 | -39 | 173.1 | -67.4 | 177 | 79.3 | 175.9 | 5.3 | 111.2 | P143 Y144 P145 G152 | P143-R148 HydrophobicContact CB-CG 3.96Å; P143-R148 HydrophobicContact CG-CG 3.79Å; P143-R148 WeakPolarHBondContact O-CD 3.48Å; Y144-R148 WeakPolarHBondContact O-CG 3.4Å; Y144-R148 PolarHBondContact O-N 3.09Å; P145-R148 PolarHBondContact O-N 3.25Å; R148-G152 PolarHBondContact O-N 3.49Å |
| 149 | L | 89 | Confident | 88.4 | Confident | 129 Ų | 129 | 76.1 Ų | 76.1 | 68% | 0.675 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -64.2 | -46.7 | 174.3 | -170.3 | 155.1 | 0 | 0 | 0 | 110.9 | P145 Y146 E147 F151 G152 A153 | P145-L149 WeakPolarHBondContact O-CB 3.49Å; P145-L149 PolarHBondContact O-N 3.42Å; Y146-L149 WeakPolarHBondContact O-CB 3.28Å; Y146-L149 PolarHBondContact O-N 2.97Å; E147-L149 VanDerWaalsContact C-N 3.26Å; E147-L149 PolarHBondContact O-N 3.43Å; L149-F151 PolarHBondContact O-N 3.35Å; L149-G152 PolarHBondContact O-N 3.35Å; L149-A153 WeakPolarHBondContact O-CB 3.4Å; L149-A153 PolarHBondContact O-N 3.03Å |
| 150 | A | 91.4 | Very high | 88.8 | Confident | 45 Ų | 45 | 69.2 Ų | 69.2 | 37% | 0.372 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.6 | -44.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y146 E147 G152 A153 C154 | Y146-A150 PolarHBondContact O-N 3.42Å; E147-A150 PolarHBondContact O-N 2.89Å; A150-G152 VanDerWaalsContact C-N 3.34Å; A150-G152 PolarHBondContact O-N 2.89Å; A150-A153 PolarHBondContact O-N 3.21Å; A150-C154 PolarHBondContact O-N 3.11Å; A150-C154 PolarHBondContact O-SG 3.34Å |
| 151 | F | 92.8 | Very high | 89.3 | Confident | 30 Ų | 30 | 65.2 Ų | 65.2 | 13% | 0.132 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64 | -41.4 | 176 | -57.2 | -20.8 | 0 | 0 | 0 | 111.5 | Y127 L130 K131 H134 P143 E147 L149 A153 C154 A155 | Y127-F151 HydrophobicContact CD2-CB 3.86Å; Y127-F151 HydrophobicContact CE2-CB 3.9Å; L130-F151 HydrophobicContact CB-CB 4.08Å; L130-F151 HydrophobicContact CB-CD1 3.94Å; L130-F151 HydrophobicContact CB-CD2 4.33Å; L130-F151 HydrophobicContact CB-CG 3.85Å; L130-F151 HydrophobicContact CD1-CB 4.07Å; L130-F151 HydrophobicContact CD1-CD1 4.21Å; L130-F151 HydrophobicContact CD1-CG 4.4Å; K131-F151 HydrophobicContact CG-CD2 3.98Å; K131-F151 HydrophobicContact CG-CE2 4.47Å; H134-F151 HydrophobicContact CB-CE2 3.88Å; H134-F151 HydrophobicContact CB-CZ 3.66Å; H134-F151 AromaticContact CG-CZ 3.8Å; H134-F151 AromaticContact ND1-CZ 3.82Å; P143-F151 HydrophobicContact CB-CE2 3.87Å; P143-F151 HydrophobicContact CG-CD2 4.4Å; P143-F151 HydrophobicContact CG-CE2 3.93Å; E147-F151 HydrophobicContact CB-CE2 4.22Å; E147-F151 HydrophobicContact CB-CZ 4.1Å; E147-F151 WeakPolarHBondContact O-CD1 3.37Å; E147-F151 WeakPolarHBondContact O-CD2 3.48Å; E147-F151 WeakPolarHBondContact O-CG 3.31Å; E147-F151 PolarHBondContact O-N 2.78Å; L149-F151 PolarHBondContact O-N 3.35Å; F151-A153 VanDerWaalsContact C-N 3.35Å; F151-C154 PolarHBondContact O-N 2.97Å; F151-A155 WeakPolarHBondContact O-CB 3.47Å; F151-A155 PolarHBondContact O-N 2.91Å |
| 152 | G | 91.6 | Very high | 90.1 | Very high | 32 Ų | 32 | 62.2 Ų | 62.2 | 33% | 0.33 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R148 L149 A150 G156 | R148-G152 PolarHBondContact O-N 3.49Å; L149-G152 PolarHBondContact O-N 3.35Å; A150-G152 VanDerWaalsContact C-N 3.34Å; A150-G152 PolarHBondContact O-N 2.89Å; G152-G156 PolarHBondContact O-N 2.75Å |
| 153 | A | 91.1 | Very high | 90.6 | Very high | 52 Ų | 52 | 56.5 Ų | 56.5 | 43% | 0.43 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.7 | -50.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L149 A150 F151 A155 G156 L157 | L149-A153 WeakPolarHBondContact O-CB 3.4Å; L149-A153 PolarHBondContact O-N 3.03Å; A150-A153 PolarHBondContact O-N 3.21Å; F151-A153 VanDerWaalsContact C-N 3.35Å; A153-A155 PolarHBondContact O-N 2.94Å; A153-G156 PolarHBondContact O-N 2.96Å; A153-L157 VanDerWaalsContact O-CG 3.31Å; A153-L157 WeakPolarHBondContact O-CG 3.37Å; A153-L157 PolarHBondContact O-N 3.31Å |
| 154 | C | 92.4 | Very high | 90.9 | Very high | 62 Ų | 62 | 56 Ų | 56 | 42% | 0.419 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.6 | -44.7 | 177.1 | -70 | 0 | 0 | 0 | 0 | 112.1 | L130 A150 F151 G156 L157 I158 | L130-C154 HydrophobicContact CD1-CB 3.95Å; A150-C154 PolarHBondContact O-N 3.11Å; A150-C154 PolarHBondContact O-SG 3.34Å; F151-C154 PolarHBondContact O-N 2.97Å; C154-G156 PolarHBondContact O-N 2.95Å; C154-L157 PolarHBondContact O-N 3.26Å; C154-I158 WeakPolarHBondContact O-CG1 3.29Å; C154-I158 PolarHBondContact O-N 3.46Å |
| 155 | A | 93.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.5 | -44.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | T123 T126 F151 A153 L157 I158 G159 | T123-A155 HydrophobicContact CG2-CB 4.04Å; T123-A155 WeakPolarHBondContact O-CB 3.36Å; T126-A155 HydrophobicContact CG2-CB 4.02Å; F151-A155 WeakPolarHBondContact O-CB 3.47Å; F151-A155 PolarHBondContact O-N 2.91Å; A153-A155 PolarHBondContact O-N 2.94Å; A155-L157 PolarHBondContact O-N 2.69Å; A155-I158 PolarHBondContact O-N 3.25Å; A155-G159 PolarHBondContact O-N 3.37Å |
| 156 | G | 90.9 | Very high | 91.2 | Very high | 16 Ų | 16 | 47.8 Ų | 47.8 | 17% | 0.165 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63 | -40.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | G152 A153 C154 Q160 | G152-G156 PolarHBondContact O-N 2.75Å; A153-G156 PolarHBondContact O-N 2.96Å; C154-G156 PolarHBondContact O-N 2.95Å; G156-Q160 WeakPolarHBondContact O-CB 3.33Å; G156-Q160 PolarHBondContact O-N 3.46Å |
| 157 | L | 91.8 | Very high | 91.3 | Very high | 70 Ų | 70 | 42.9 Ų | 42.9 | 37% | 0.366 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.1 | -44.1 | 176.6 | -69.5 | 172.9 | 0 | 0 | 0 | 112 | A153 C154 A155 S161 W211 | A153-L157 VanDerWaalsContact O-CG 3.31Å; A153-L157 WeakPolarHBondContact O-CG 3.37Å; A153-L157 PolarHBondContact O-N 3.31Å; C154-L157 PolarHBondContact O-N 3.26Å; A155-L157 PolarHBondContact O-N 2.69Å; L157-S161 WeakPolarHBondContact O-CB 3.47Å; L157-S161 PolarHBondContact O-N 3.21Å; L157-S161 PolarHBondContact O-OG 2.72Å; L157-W211 HydrophobicContact CD2-CB 3.96Å; L157-W211 HydrophobicContact CD2-CD2 3.94Å; L157-W211 HydrophobicContact CD2-CG 3.51Å |
| 158 | I | 92.8 | Very high | 91.4 | Very high | 85 Ų | 85 | 42 Ų | 42 | 44% | 0.436 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -68.5 | -46.1 | 178.9 | -68.5 | 165.8 | 0 | 0 | 0 | 110.4 | I122 T126 C154 A155 Q160 S161 A162 | I122-I158 HydrophobicContact CG2-CG2 3.76Å; T126-I158 HydrophobicContact CG2-CD1 3.75Å; C154-I158 WeakPolarHBondContact O-CG1 3.29Å; C154-I158 PolarHBondContact O-N 3.46Å; A155-I158 PolarHBondContact O-N 3.25Å; I158-Q160 VanDerWaalsContact C-N 3.35Å; I158-Q160 PolarHBondContact O-N 3.03Å; I158-S161 WeakPolarHBondContact O-CB 3.4Å; I158-S161 PolarHBondContact O-N 2.62Å; I158-A162 PolarHBondContact O-N 3.24Å |
| 159 | G | 92.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.8 | -45.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A155 S161 A162 S163 | A155-G159 PolarHBondContact O-N 3.37Å; G159-S161 VanDerWaalsContact C-N 3.33Å; G159-S161 PolarHBondContact O-N 2.99Å; G159-A162 PolarHBondContact O-N 3.47Å; G159-S163 PolarHBondContact O-N 3.34Å; G159-S163 PolarHBondContact O-OG 2.64Å |
| 160 | Q | 91.1 | Very high | 91.7 | Very high | 51 Ų | 51 | 32.8 Ų | 32.8 | 24% | 0.238 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.7 | -40.7 | 177 | -175.8 | 170.8 | 39.4 | 0 | 0 | 112 | Y119 G156 I158 A162 S163 Y164 L207 W211 | Y119-Q160 HydrophobicContact CE2-CB 4.22Å; G156-Q160 WeakPolarHBondContact O-CB 3.33Å; G156-Q160 PolarHBondContact O-N 3.46Å; I158-Q160 VanDerWaalsContact C-N 3.35Å; I158-Q160 PolarHBondContact O-N 3.03Å; Q160-A162 VanDerWaalsContact C-N 3.33Å; Q160-A162 PolarHBondContact O-N 2.89Å; Q160-S163 PolarHBondContact O-N 3.43Å; Q160-S163 PolarHBondContact O-OG 3Å; Q160-Y164 WeakPolarHBondContact O-CA 3.43Å; Q160-Y164 VanDerWaalsContact O-CB 3.28Å; Q160-Y164 WeakPolarHBondContact O-CB 3.44Å; Q160-Y164 PolarHBondContact O-N 3.46Å; Q160-L207 HydrophobicContact CG-CD1 4.35Å; Q160-W211 VanDerWaalsContact OE1-CD1 3.27Å |
| 161 | S | 91.9 | Very high | 91.6 | Very high | 29 Ų | 29 | 35 Ų | 35 | 20% | 0.203 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.4 | -44.9 | 177.7 | -58 | 0 | 0 | 0 | 0 | 111.3 | L157 I158 G159 Y164 Y204 W211 | L157-S161 WeakPolarHBondContact O-CB 3.47Å; L157-S161 PolarHBondContact O-N 3.21Å; L157-S161 PolarHBondContact O-OG 2.72Å; I158-S161 WeakPolarHBondContact O-CB 3.4Å; I158-S161 PolarHBondContact O-N 2.62Å; G159-S161 VanDerWaalsContact C-N 3.33Å; G159-S161 PolarHBondContact O-N 2.99Å; S161-Y164 WeakPolarHBondContact O-CB 3.12Å; S161-Y164 PolarHBondContact O-N 3.3Å; S161-Y204 WeakPolarHBondContact O-CE1 3.21Å; S161-W211 WeakPolarHBondContact OG-CZ2 3.47Å |
| 162 | A | 91.4 | Very high | 91.4 | Very high | 44 Ų | 44 | 35.6 Ų | 35.6 | 36% | 0.364 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -70.4 | -35.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | I122 I158 G159 Q160 Y164 | I122-A162 HydrophobicContact CD1-CB 3.2Å; I122-A162 HydrophobicContact CG1-CB 4.47Å; I122-A162 HydrophobicContact CG2-CB 4.46Å; I158-A162 PolarHBondContact O-N 3.24Å; G159-A162 PolarHBondContact O-N 3.47Å; Q160-A162 VanDerWaalsContact C-N 3.33Å; Q160-A162 PolarHBondContact O-N 2.89Å; A162-Y164 VanDerWaalsContact C-N 3.33Å |
| 163 | S | 91.8 | Very high | 91.3 | Very high | 13 Ų | 13 | 34.6 Ų | 34.6 | 9% | 0.091 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -82.9 | -8.9 | 176.4 | 66.5 | 0 | 0 | 0 | 0 | 113.7 | G159 Q160 P165 L166 D167 | G159-S163 PolarHBondContact O-N 3.34Å; G159-S163 PolarHBondContact O-OG 2.64Å; Q160-S163 PolarHBondContact O-N 3.43Å; Q160-S163 PolarHBondContact O-OG 3Å; S163-P165 VanDerWaalsContact C-CD 3.5Å; S163-L166 PolarHBondContact O-N 3.45Å; S163-D167 PolarHBondContact O-N 3.36Å |
| 164 | Y | 91.6 | Very high | 91.1 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.9 | -40.3 | -171.8 | -156.7 | -104.2 | 0 | 0 | 0 | 114.5 | Q160 S161 A162 L166 D167 V168 R171 L203 Y204 K205 G206 L207 | Q160-Y164 WeakPolarHBondContact O-CA 3.43Å; Q160-Y164 VanDerWaalsContact O-CB 3.28Å; Q160-Y164 WeakPolarHBondContact O-CB 3.44Å; Q160-Y164 PolarHBondContact O-N 3.46Å; S161-Y164 WeakPolarHBondContact O-CB 3.12Å; S161-Y164 PolarHBondContact O-N 3.3Å; A162-Y164 VanDerWaalsContact C-N 3.33Å; Y164-L166 VanDerWaalsContact C-N 3.28Å; Y164-L166 PolarHBondContact O-N 3.18Å; Y164-D167 WeakPolarHBondContact O-CB 3.19Å; Y164-D167 PolarHBondContact O-N 2.94Å; Y164-D167 VanDerWaalsContact O-N 3.09Å; Y164-V168 HydrophobicContact CD1-CG2 3.89Å; Y164-V168 HydrophobicContact CE1-CG2 3.53Å; Y164-V168 PolarHBondContact O-N 3.44Å; Y164-R171 VanDerWaalsContact CZ-NH2 3.35Å; Y164-R171 PolarHBondContact OH-NH2 2.95Å; Y164-L203 WeakPolarHBondContact CD1-O 3.29Å; Y164-L203 WeakPolarHBondContact CE1-O 3.44Å; Y164-Y204 HydrophobicContact CD1-CD1 4.02Å; Y164-K205 WeakPolarHBondContact CE1-O 3.31Å; Y164-K205 PolarHBondContact OH-O 3.41Å; Y164-G206 PolarHBondContact OH-O 3.43Å; Y164-L207 HydrophobicContact CD1-CB 4.16Å; Y164-L207 HydrophobicContact CD1-CD1 4.32Å; Y164-L207 HydrophobicContact CD2-CB 4.43Å; Y164-L207 HydrophobicContact CD2-CD1 3.42Å; Y164-L207 VanDerWaalsContact CD2-CD1 3.42Å; Y164-L207 HydrophobicContact CD2-CG 4.49Å; Y164-L207 HydrophobicContact CE1-CB 3.92Å; Y164-L207 HydrophobicContact CE2-CB 4.16Å; Y164-L207 HydrophobicContact CE2-CD1 3.75Å; Y164-L207 HydrophobicContact CG-CB 4.43Å; Y164-L207 HydrophobicContact CG-CD1 3.74Å; Y164-L207 PolarHBondContact OH-N 3.03Å |
| 165 | P | 92.2 | Very high | 90.7 | Very high | 18 Ų | 18 | 30.3 Ų | 30.3 | 12% | 0.117 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.2 | -39.6 | 176.7 | -28.1 | 37.5 | 0 | 0 | 0 | 113.5 | S163 V168 V169 M190 L203 Y204 | S163-P165 VanDerWaalsContact C-CD 3.5Å; P165-V168 PolarHBondContact O-N 3.33Å; P165-V169 WeakPolarHBondContact O-CG2 3.5Å; P165-V169 PolarHBondContact O-N 2.95Å; P165-M190 HydrophobicContact CB-CE 4.29Å; P165-L203 HydrophobicContact CB-CB 4.36Å; P165-L203 HydrophobicContact CB-CD1 4.33Å; P165-L203 HydrophobicContact CB-CD2 4.32Å; P165-Y204 HydrophobicContact CG-CE1 4.44Å; P165-Y204 HydrophobicContact CG-CE2 4.31Å |
| 166 | L | 91.6 | Very high | 90.3 | Very high | 34 Ų | 34 | 30.3 Ų | 30.3 | 18% | 0.178 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -71.2 | -33.4 | 177.6 | -70.7 | 172.4 | 0 | 0 | 0 | 111.8 | L114 P118 S163 Y164 V169 R170 I186 M190 | L114-L166 HydrophobicContact CB-CD1 4.43Å; P118-L166 HydrophobicContact CG-CD1 4.1Å; S163-L166 PolarHBondContact O-N 3.45Å; Y164-L166 VanDerWaalsContact C-N 3.28Å; Y164-L166 PolarHBondContact O-N 3.18Å; L166-V169 PolarHBondContact O-N 3.29Å; L166-R170 WeakPolarHBondContact O-CB 3.28Å; L166-R170 PolarHBondContact O-N 2.89Å; L166-I186 HydrophobicContact CD2-CG2 4.09Å; L166-M190 HydrophobicContact CD2-CE 4.11Å |
| 167 | D | 90.4 | Very high | 89.6 | Confident | 45 Ų | 45 | 31.4 Ų | 31.4 | 24% | 0.241 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.7 | -39.2 | 173.4 | -171.6 | 58 | 0 | 0 | 0 | 112 | S163 Y164 R170 R171 | S163-D167 PolarHBondContact O-N 3.36Å; Y164-D167 WeakPolarHBondContact O-CB 3.19Å; Y164-D167 PolarHBondContact O-N 2.94Å; Y164-D167 VanDerWaalsContact O-N 3.09Å; D167-R170 WeakPolarHBondContact O-CB 3.47Å; D167-R170 PolarHBondContact O-N 2.98Å; D167-R171 WeakPolarHBondContact O-CG 3.2Å; D167-R171 PolarHBondContact O-N 3.34Å; D167-R171 IonicContact OD2-CZ 2.75Å; D167-R171 IonicContact OD2-NE 2.69Å; D167-R171 PolarHBondContact OD2-NE 3.19Å; D167-R171 IonicContact OD2-NH2 2.85Å; D167-R171 PolarHBondContact OD2-NH2 3.39Å |
| 168 | V | 90.8 | Very high | 88.8 | Confident | 8 Ų | 8 | 30.4 Ų | 30.4 | 5% | 0.048 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.6 | -44.3 | 173.1 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | Y164 P165 R170 R171 R172 I193 L203 | Y164-V168 HydrophobicContact CD1-CG2 3.89Å; Y164-V168 HydrophobicContact CE1-CG2 3.53Å; Y164-V168 PolarHBondContact O-N 3.44Å; P165-V168 PolarHBondContact O-N 3.33Å; V168-R170 PolarHBondContact O-N 3.04Å; V168-R171 PolarHBondContact O-N 3.28Å; V168-R172 HydrophobicContact CG1-CG 4.35Å; V168-R172 WeakPolarHBondContact O-CG 3.48Å; V168-R172 PolarHBondContact O-N 3.38Å; V168-I193 HydrophobicContact CG1-CD1 4.24Å; V168-L203 WeakPolarHBondContact CG2-O 3.38Å |
| 169 | V | 91.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.3 | -46.6 | 176.5 | 169.7 | 0 | 0 | 0 | 0 | 110.9 | P111 P165 L166 R171 R172 M173 I186 T189 M190 I193 | P111-V169 HydrophobicContact CB-CG1 4.33Å; P165-V169 WeakPolarHBondContact O-CG2 3.5Å; P165-V169 PolarHBondContact O-N 2.95Å; L166-V169 PolarHBondContact O-N 3.29Å; V169-R171 PolarHBondContact O-N 2.91Å; V169-R172 PolarHBondContact O-N 2.9Å; V169-M173 HydrophobicContact CG1-CG 4.29Å; V169-M173 HydrophobicContact CG1-SD 3.89Å; V169-M173 WeakPolarHBondContact O-CB 3.09Å; V169-M173 VanDerWaalsContact O-CG 3.31Å; V169-M173 WeakPolarHBondContact O-CG 3.35Å; V169-M173 PolarHBondContact O-N 3.41Å; V169-I186 HydrophobicContact CG1-CB 4.42Å; V169-I186 HydrophobicContact CG1-CG2 3.94Å; V169-T189 HydrophobicContact CG1-CG2 4.06Å; V169-M190 HydrophobicContact CG2-CB 3.96Å; V169-M190 HydrophobicContact CG2-CE 4.02Å; V169-M190 HydrophobicContact CG2-CG 4.4Å; V169-I193 HydrophobicContact CG2-CD1 4.15Å |
| 170 | R | 91 | Very high | 86.9 | Confident | 52 Ų | 52 | 33.9 Ų | 33.9 | 20% | 0.196 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -51.8 | -54.7 | 173.5 | 173.5 | -164.8 | 176.4 | 170 | 9.2 | 110.7 | D72 P111 T112 L166 D167 V168 R172 M173 Q174 | D72-R170 IonicContact OD2-NH2 2.68Å; P111-R170 HydrophobicContact CB-CB 4.3Å; P111-R170 HydrophobicContact CG-CB 4.16Å; T112-R170 WeakPolarHBondContact OG1-CD 3.47Å; T112-R170 WeakPolarHBondContact OG1-CG 3.42Å; T112-R170 PolarHBondContact OG1-NE 3.05Å; L166-R170 WeakPolarHBondContact O-CB 3.28Å; L166-R170 PolarHBondContact O-N 2.89Å; D167-R170 WeakPolarHBondContact O-CB 3.47Å; D167-R170 PolarHBondContact O-N 2.98Å; V168-R170 PolarHBondContact O-N 3.04Å; R170-R172 VanDerWaalsContact C-N 3.34Å; R170-R172 PolarHBondContact O-N 3.01Å; R170-M173 PolarHBondContact O-N 2.96Å; R170-Q174 HydrophobicContact CG-CG 4.49Å; R170-Q174 VanDerWaalsContact O-CG 3.31Å; R170-Q174 WeakPolarHBondContact O-CG 3.29Å; R170-Q174 PolarHBondContact O-N 2.93Å |
| 171 | R | 88.8 | Confident | 86.1 | Confident | 92 Ų | 92 | 33.1 Ų | 33.1 | 35% | 0.347 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61 | -40.9 | -176.4 | -73.3 | -171.2 | -98 | 144.8 | -8.4 | 112.2 | Y164 D167 V168 V169 Q174 T175 | Y164-R171 VanDerWaalsContact CZ-NH2 3.35Å; Y164-R171 PolarHBondContact OH-NH2 2.95Å; D167-R171 WeakPolarHBondContact O-CG 3.2Å; D167-R171 PolarHBondContact O-N 3.34Å; D167-R171 IonicContact OD2-CZ 2.75Å; D167-R171 IonicContact OD2-NE 2.69Å; D167-R171 PolarHBondContact OD2-NE 3.19Å; D167-R171 IonicContact OD2-NH2 2.85Å; D167-R171 PolarHBondContact OD2-NH2 3.39Å; V168-R171 PolarHBondContact O-N 3.28Å; V169-R171 PolarHBondContact O-N 2.91Å; R171-Q174 PolarHBondContact O-N 3.44Å; R171-T175 WeakPolarHBondContact O-CG2 3.28Å; R171-T175 PolarHBondContact O-N 3.45Å; R171-T175 VanDerWaalsContact O-N 3.15Å; R171-T175 PolarHBondContact O-OG1 3.32Å; R171-T175 VanDerWaalsContact O-OG1 3.06Å |
| 172 | R | 88.9 | Confident | 85.2 | Confident | 43 Ų | 43 | 36.7 Ų | 36.7 | 16% | 0.162 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.4 | -40.9 | 175.8 | -71 | -79 | 179.4 | 154.3 | 5.8 | 112.8 | V168 V169 R170 Q174 T175 A176 Y183 T189 I193 E197 | V168-R172 HydrophobicContact CG1-CG 4.35Å; V168-R172 WeakPolarHBondContact O-CG 3.48Å; V168-R172 PolarHBondContact O-N 3.38Å; V169-R172 PolarHBondContact O-N 2.9Å; R170-R172 VanDerWaalsContact C-N 3.34Å; R170-R172 PolarHBondContact O-N 3.01Å; R172-Q174 VanDerWaalsContact C-N 3.31Å; R172-Q174 PolarHBondContact O-N 2.82Å; R172-T175 PolarHBondContact O-N 3.01Å; R172-T175 PolarHBondContact O-OG1 2.84Å; R172-A176 WeakPolarHBondContact O-CA 3.34Å; R172-A176 PolarHBondContact O-N 3.16Å; R172-Y183 HydrophobicContact CB-CD2 4.32Å; R172-Y183 HydrophobicContact CB-CE2 4.18Å; R172-T189 HydrophobicContact CB-CG2 4.12Å; R172-I193 HydrophobicContact CB-CD1 4.36Å; R172-I193 HydrophobicContact CG-CD1 3.9Å; R172-I193 HydrophobicContact CG-CG1 4.42Å; R172-E197 IonicContact CZ-OE1 2.64Å; R172-E197 IonicContact CZ-OE2 3.12Å; R172-E197 IonicContact NH1-OE1 3.65Å; R172-E197 PolarHBondContact NH1-OE1 3.27Å; R172-E197 IonicContact NH2-OE1 2.68Å; R172-E197 PolarHBondContact NH2-OE1 3.5Å; R172-E197 IonicContact NH2-OE2 3.58Å; R172-E197 PolarHBondContact NH2-OE2 2.92Å |
| 173 | M | 89.6 | Confident | 84.7 | Confident | 10 Ų | 10 | 35.1 Ų | 35.1 | 5% | 0.049 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66 | -35.1 | 176.3 | -71.9 | -176.7 | 78.5 | 0 | 0 | 112.1 | K107 P111 V169 R170 A176 I186 T189 | K107-M173 HydrophobicContact CG-CB 4.43Å; K107-M173 HydrophobicContact CG-CE 4.17Å; P111-M173 HydrophobicContact CG-SD 3.95Å; V169-M173 HydrophobicContact CG1-CG 4.29Å; V169-M173 HydrophobicContact CG1-SD 3.89Å; V169-M173 WeakPolarHBondContact O-CB 3.09Å; V169-M173 VanDerWaalsContact O-CG 3.31Å; V169-M173 WeakPolarHBondContact O-CG 3.35Å; V169-M173 PolarHBondContact O-N 3.41Å; R170-M173 PolarHBondContact O-N 2.96Å; M173-A176 WeakPolarHBondContact O-CB 3.47Å; M173-I186 HydrophobicContact SD-CG1 4.33Å; M173-T189 HydrophobicContact CG-CG2 4.18Å |
| 174 | Q | 86.6 | Confident | 83.9 | Confident | 11 Ų | 11 | 39.4 Ų | 39.4 | 5% | 0.051 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.2 | -32.4 | 176.4 | -70.2 | 179.4 | -29.3 | 0 | 0 | 112.6 | Y69 M73 A76 R77 R170 R171 R172 | Y69-Q174 PolarHBondContact OH-NE2 3.33Å; M73-Q174 HydrophobicContact CE-CB 4.03Å; M73-Q174 HydrophobicContact CE-CG 3.73Å; M73-Q174 HydrophobicContact SD-CB 3.87Å; M73-Q174 HydrophobicContact SD-CG 4.16Å; A76-Q174 HydrophobicContact CB-CB 3.94Å; R77-Q174 PolarHBondContact NE-O 2.88Å; R170-Q174 HydrophobicContact CG-CG 4.49Å; R170-Q174 VanDerWaalsContact O-CG 3.31Å; R170-Q174 WeakPolarHBondContact O-CG 3.29Å; R170-Q174 PolarHBondContact O-N 2.93Å; R171-Q174 PolarHBondContact O-N 3.44Å; R172-Q174 VanDerWaalsContact C-N 3.31Å; R172-Q174 PolarHBondContact O-N 2.82Å |
| 175 | T | 85.3 | Confident | 83.7 | Confident | 13 Ų | 13 | 43 Ų | 43 | 8% | 0.08 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -99.7 | 2.8 | -177.7 | 61.1 | 0 | 0 | 0 | 0 | 113.8 | V80 R171 R172 G177 V178 I179 | V80-T175 HydrophobicContact CB-CG2 4.25Å; V80-T175 HydrophobicContact CG1-CG2 3.66Å; V80-T175 HydrophobicContact CG2-CG2 3.61Å; R171-T175 WeakPolarHBondContact O-CG2 3.28Å; R171-T175 PolarHBondContact O-N 3.45Å; R171-T175 VanDerWaalsContact O-N 3.15Å; R171-T175 PolarHBondContact O-OG1 3.32Å; R171-T175 VanDerWaalsContact O-OG1 3.06Å; R172-T175 PolarHBondContact O-N 3.01Å; R172-T175 PolarHBondContact O-OG1 2.84Å; T175-G177 PolarHBondContact O-N 3Å; T175-V178 PolarHBondContact O-N 2.92Å; T175-I179 PolarHBondContact O-N 3.45Å; T175-I179 WeakPolarHBondContact OG1-CD1 3.4Å |
| 176 | A | 83.6 | Confident | 83.5 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.008 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -50.9 | -46.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114 | R172 M173 V178 I179 G180 S181 Y183 | R172-A176 WeakPolarHBondContact O-CA 3.34Å; R172-A176 PolarHBondContact O-N 3.16Å; M173-A176 WeakPolarHBondContact O-CB 3.47Å; A176-V178 VanDerWaalsContact C-N 3.27Å; A176-V178 PolarHBondContact O-N 2.93Å; A176-I179 PolarHBondContact O-N 3.31Å; A176-G180 PolarHBondContact O-N 3.33Å; A176-G180 VanDerWaalsContact O-N 3.12Å; A176-S181 WeakPolarHBondContact CB-O 3.28Å; A176-S181 PolarHBondContact O-N 2.92Å; A176-S181 VanDerWaalsContact O-N 3.1Å; A176-Y183 HydrophobicContact CB-CD2 3.9Å |
| 177 | G | 76.4 | Confident | 83.4 | Confident | 39 Ų | 39 | 49.1 Ų | 49.1 | 40% | 0.402 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -73.1 | -13.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | T175 | T175-G177 PolarHBondContact O-N 3Å |
| 178 | V | 75.8 | Confident | 83.4 | Confident | 48 Ų | 48 | 48.6 Ų | 48.6 | 29% | 0.291 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -83.9 | -35.4 | 171.2 | 179.9 | 0 | 0 | 0 | 0 | 110.6 | V80 T175 A176 G180 | V80-V178 HydrophobicContact CG2-CB 4.27Å; V80-V178 HydrophobicContact CG2-CG1 4.21Å; V80-V178 HydrophobicContact CG2-CG2 4.17Å; T175-V178 PolarHBondContact O-N 2.92Å; A176-V178 VanDerWaalsContact C-N 3.27Å; A176-V178 PolarHBondContact O-N 2.93Å; V178-G180 VanDerWaalsContact C-N 3.28Å |
| 179 | I | 72.9 | Confident | 83.3 | Confident | 83 Ų | 83 | 48.3 Ų | 48.3 | 43% | 0.426 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -86 | -4.9 | -176.2 | -54.8 | 168.4 | 0 | 0 | 0 | 110.8 | T175 A176 S181 | T175-I179 PolarHBondContact O-N 3.45Å; T175-I179 WeakPolarHBondContact OG1-CD1 3.4Å; A176-I179 PolarHBondContact O-N 3.31Å; I179-S181 PolarHBondContact O-N 3.17Å |
| 180 | G | 70.7 | Confident | 83.3 | Confident | 75 Ų | 75 | 50.8 Ų | 50.8 | 77% | 0.773 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68 | 21.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | A176 V178 | A176-G180 PolarHBondContact O-N 3.33Å; A176-G180 VanDerWaalsContact O-N 3.12Å; V178-G180 VanDerWaalsContact C-N 3.28Å |
| 181 | S | 75.4 | Confident | 83.3 | Confident | 36 Ų | 36 | 57.7 Ų | 57.7 | 25% | 0.252 | 33% | 0.334 | S | S | . | . | trans | -105.4 | 133.3 | -176.8 | -65.7 | 0 | 0 | 0 | 0 | 111.5 | A176 I179 Y183 | A176-S181 WeakPolarHBondContact CB-O 3.28Å; A176-S181 PolarHBondContact O-N 2.92Å; A176-S181 VanDerWaalsContact O-N 3.1Å; I179-S181 PolarHBondContact O-N 3.17Å; S181-Y183 PolarHBondContact O-N 3.34Å | ||
| 182 | S | 72.9 | Confident | 83.4 | Confident | 104 Ų | 104 | 56.4 Ų | 56.4 | 73% | 0.727 | 33% | 0.332 | S | S | * | . | trans | -89.7 | 76.7 | 178.2 | -164.6 | 0 | 0 | 0 | 0 | 112 | T184 | S182-T184 PolarHBondContact O-N 2.93Š| ||
| 183 | Y | 80.6 | Confident | 83.4 | Confident | 11 Ų | 11 | 54.4 Ų | 54.4 | 4% | 0.043 | 33% | 0.325 | C | S | . | . | trans | -83 | 95.2 | 173.5 | -67.3 | -51.1 | 0 | 0 | 0 | 110.7 | K107 R172 A176 S181 T189 E192 | K107-Y183 WeakPolarHBondContact CE-O 3.27Å; K107-Y183 PolarHBondContact NZ-O 3.43Å; R172-Y183 HydrophobicContact CB-CD2 4.32Å; R172-Y183 HydrophobicContact CB-CE2 4.18Å; A176-Y183 HydrophobicContact CB-CD2 3.9Å; S181-Y183 PolarHBondContact O-N 3.34Å; Y183-T189 WeakPolarHBondContact CB-OG1 3.16Å; Y183-T189 HydrophobicContact CD1-CG2 3.51Å; Y183-T189 HydrophobicContact CD2-CG2 4.31Å; Y183-T189 HydrophobicContact CE1-CG2 3.97Å; Y183-T189 HydrophobicContact CG-CG2 3.72Å; Y183-E192 HydrophobicContact CE1-CB 4.07Å; Y183-E192 HydrophobicContact CE1-CG 4.06Å | ||
| 184 | T | 74.3 | Confident | 83.6 | Confident | 102 Ų | 102 | 56.5 Ų | 56.5 | 63% | 0.626 | 34% | 0.338 | S | S | * | . | trans | -94.5 | -36.9 | -176.6 | 54.4 | 0 | 0 | 0 | 0 | 113.2 | S182 | S182-T184 PolarHBondContact O-N 2.93Š| ||
| 185 | T | 88.1 | Confident | 83.8 | Confident | 78 Ų | 78 | 64 Ų | 64 | 48% | 0.479 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -121.4 | 150.9 | -175.4 | 63.9 | 0 | 0 | 0 | 0 | 111.9 | G188 T189 | T185-G188 PolarHBondContact O-N 2.97Å; T185-G188 WeakPolarHBondContact OG1-CA 3.49Å; T185-G188 PolarHBondContact OG1-N 3.32Å; T185-T189 VanDerWaalsContact O-CB 3.31Å; T185-T189 WeakPolarHBondContact O-CB 3.5Å; T185-T189 PolarHBondContact O-N 3.34Å; T185-T189 PolarHBondContact O-OG1 2.92Å |
| 186 | I | 88.8 | Confident | 84 | Confident | 35 Ų | 35 | 68.9 Ų | 68.9 | 18% | 0.179 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -60.8 | -49.5 | 178.4 | -60 | 175.9 | 0 | 0 | 0 | 110.3 | T110 P111 L114 L166 V169 M173 T189 M190 | T110-I186 HydrophobicContact CG2-CD1 3.9Å; P111-I186 HydrophobicContact CB-CD1 3.94Å; P111-I186 HydrophobicContact CB-CG1 4.15Å; P111-I186 HydrophobicContact CG-CD1 4.31Å; P111-I186 HydrophobicContact CG-CG1 4.27Å; L114-I186 HydrophobicContact CD1-CD1 3.65Å; L166-I186 HydrophobicContact CD2-CG2 4.09Å; V169-I186 HydrophobicContact CG1-CB 4.42Å; V169-I186 HydrophobicContact CG1-CG2 3.94Å; M173-I186 HydrophobicContact SD-CG1 4.33Å; I186-T189 PolarHBondContact O-N 3.36Å; I186-M190 WeakPolarHBondContact O-CB 3.35Å; I186-M190 PolarHBondContact O-N 2.82Å |
| 187 | L | 89.6 | Confident | 84.3 | Confident | 146 Ų | 146 | 71.4 Ų | 71.4 | 76% | 0.764 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -63.9 | -43.2 | 179.1 | -82.2 | 150.2 | 0 | 0 | 0 | 112.1 | M190 R191 | L187-M190 PolarHBondContact O-N 3.43Å; L187-R191 WeakPolarHBondContact O-CB 3.37Å; L187-R191 PolarHBondContact O-N 3.45Å |
| 188 | G | 89.4 | Confident | 84.9 | Confident | 34 Ų | 34 | 70.9 Ų | 70.9 | 35% | 0.351 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.2 | -45.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T185 M190 R191 E192 | T185-G188 PolarHBondContact O-N 2.97Å; T185-G188 WeakPolarHBondContact OG1-CA 3.49Å; T185-G188 PolarHBondContact OG1-N 3.32Å; G188-M190 PolarHBondContact O-N 3.21Å; G188-R191 PolarHBondContact O-N 3.02Å; G188-E192 WeakPolarHBondContact O-CB 3.36Å; G188-E192 PolarHBondContact O-N 3.33Å |
| 189 | T | 89.3 | Confident | 85.6 | Confident | 1 Ų | 1 | 73.5 Ų | 73.5 | 1% | 0.006 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -62.4 | -45.2 | 177.3 | -51.4 | 0 | 0 | 0 | 0 | 111.4 | V169 R172 M173 Y183 T185 I186 E192 I193 | V169-T189 HydrophobicContact CG1-CG2 4.06Å; R172-T189 HydrophobicContact CB-CG2 4.12Å; M173-T189 HydrophobicContact CG-CG2 4.18Å; Y183-T189 WeakPolarHBondContact CB-OG1 3.16Å; Y183-T189 HydrophobicContact CD1-CG2 3.51Å; Y183-T189 HydrophobicContact CD2-CG2 4.31Å; Y183-T189 HydrophobicContact CE1-CG2 3.97Å; Y183-T189 HydrophobicContact CG-CG2 3.72Å; T185-T189 VanDerWaalsContact O-CB 3.31Å; T185-T189 WeakPolarHBondContact O-CB 3.5Å; T185-T189 PolarHBondContact O-N 3.34Å; T185-T189 PolarHBondContact O-OG1 2.92Å; I186-T189 PolarHBondContact O-N 3.36Å; T189-E192 PolarHBondContact O-N 3.49Å; T189-I193 HydrophobicContact CG2-CD1 3.79Å; T189-I193 HydrophobicContact CG2-CG1 4.47Å; T189-I193 VanDerWaalsContact O-CD1 3.31Å; T189-I193 WeakPolarHBondContact O-CD1 3.27Å; T189-I193 WeakPolarHBondContact O-CG1 3.2Å; T189-I193 PolarHBondContact O-N 3.4Å |
| 190 | M | 90.7 | Very high | 86.2 | Confident | 52 Ų | 52 | 80 Ų | 80 | 26% | 0.256 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62 | -45.2 | 177.7 | -169.7 | 176.2 | -71.7 | 0 | 0 | 111.6 | P165 L166 V169 I186 L187 G188 I193 V194 L203 | P165-M190 HydrophobicContact CB-CE 4.29Å; L166-M190 HydrophobicContact CD2-CE 4.11Å; V169-M190 HydrophobicContact CG2-CB 3.96Å; V169-M190 HydrophobicContact CG2-CE 4.02Å; V169-M190 HydrophobicContact CG2-CG 4.4Å; I186-M190 WeakPolarHBondContact O-CB 3.35Å; I186-M190 PolarHBondContact O-N 2.82Å; L187-M190 PolarHBondContact O-N 3.43Å; G188-M190 PolarHBondContact O-N 3.21Å; M190-I193 PolarHBondContact O-N 3.14Å; M190-V194 VanDerWaalsContact O-CG2 3.31Å; M190-V194 WeakPolarHBondContact O-CG2 3.45Å; M190-V194 PolarHBondContact O-N 3.22Å; M190-L203 HydrophobicContact CG-CD1 4.32Å; M190-L203 HydrophobicContact CG-CD2 4.06Å |
| 191 | R | 91.3 | Very high | 87 | Confident | 198 Ų | 198 | 86.5 Ų | 86.5 | 75% | 0.747 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -62 | -43.1 | 176.9 | -173.8 | 177.8 | -176.8 | 172.7 | 1.4 | 111.7 | L187 G188 V194 K195 | L187-R191 WeakPolarHBondContact O-CB 3.37Å; L187-R191 PolarHBondContact O-N 3.45Å; G188-R191 PolarHBondContact O-N 3.02Å; R191-V194 PolarHBondContact O-N 3.43Å; R191-K195 WeakPolarHBondContact O-CB 3.41Å; R191-K195 PolarHBondContact O-N 3.42Å |
| 192 | E | 90.1 | Very high | 87.6 | Confident | 65 Ų | 65 | 84.8 Ų | 84.8 | 30% | 0.304 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.8 | -44.2 | 179.6 | -164.5 | 60.4 | -148 | 0 | 0 | 111.5 | Y183 G188 T189 V194 K195 Q196 | Y183-E192 HydrophobicContact CE1-CB 4.07Å; Y183-E192 HydrophobicContact CE1-CG 4.06Å; G188-E192 WeakPolarHBondContact O-CB 3.36Å; G188-E192 PolarHBondContact O-N 3.33Å; T189-E192 PolarHBondContact O-N 3.49Å; E192-V194 VanDerWaalsContact C-N 3.33Å; E192-V194 PolarHBondContact O-N 3.18Å; E192-K195 PolarHBondContact O-N 3.33Å; E192-Q196 HydrophobicContact CG-CG 4.38Å; E192-Q196 WeakPolarHBondContact O-CB 3.45Å; E192-Q196 WeakPolarHBondContact O-CG 3.49Å; E192-Q196 PolarHBondContact O-N 3.49Å; E192-Q196 WeakPolarHBondContact OE1-CG 3.31Å; E192-Q196 PolarHBondContact OE1-NE2 3.28Å |
| 193 | I | 90.4 | Very high | 88.4 | Confident | 1 Ų | 1 | 80.4 Ų | 80.4 | 1% | 0.005 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 175.7 | -66.3 | 159.3 | 0 | 0 | 0 | 110.6 | V168 V169 R172 T189 M190 K195 E197 G198 L203 | V168-I193 HydrophobicContact CG1-CD1 4.24Å; V169-I193 HydrophobicContact CG2-CD1 4.15Å; R172-I193 HydrophobicContact CB-CD1 4.36Å; R172-I193 HydrophobicContact CG-CD1 3.9Å; R172-I193 HydrophobicContact CG-CG1 4.42Å; T189-I193 HydrophobicContact CG2-CD1 3.79Å; T189-I193 HydrophobicContact CG2-CG1 4.47Å; T189-I193 VanDerWaalsContact O-CD1 3.31Å; T189-I193 WeakPolarHBondContact O-CD1 3.27Å; T189-I193 WeakPolarHBondContact O-CG1 3.2Å; T189-I193 PolarHBondContact O-N 3.4Å; M190-I193 PolarHBondContact O-N 3.14Å; I193-K195 VanDerWaalsContact C-N 3.33Å; I193-K195 PolarHBondContact O-N 3.08Å; I193-E197 WeakPolarHBondContact O-CA 3.26Å; I193-E197 PolarHBondContact O-N 3.26Å; I193-G198 PolarHBondContact O-N 3.06Å; I193-L203 HydrophobicContact CB-CD2 4.38Å; I193-L203 HydrophobicContact CD1-CD2 4.47Å; I193-L203 HydrophobicContact CG2-CD2 3.94Å; I193-L203 HydrophobicContact CG2-CG 4.33Å |
| 194 | V | 92.4 | Very high | 88.9 | Confident | 53 Ų | 53 | 84 Ų | 84 | 32% | 0.321 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65 | -38.9 | 178.8 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | M190 R191 E192 G198 I199 L203 | M190-V194 VanDerWaalsContact O-CG2 3.31Å; M190-V194 WeakPolarHBondContact O-CG2 3.45Å; M190-V194 PolarHBondContact O-N 3.22Å; R191-V194 PolarHBondContact O-N 3.43Å; E192-V194 VanDerWaalsContact C-N 3.33Å; E192-V194 PolarHBondContact O-N 3.18Å; V194-G198 WeakPolarHBondContact O-CA 3.29Å; V194-G198 PolarHBondContact O-N 2.87Å; V194-I199 HydrophobicContact CG1-CG1 3.95Å; V194-I199 HydrophobicContact CG2-CG1 4.21Å; V194-L203 HydrophobicContact CG2-CD1 3.64Å; V194-L203 HydrophobicContact CG2-CG 4.04Å |
| 195 | K | 91.7 | Very high | 89.4 | Confident | 168 Ų | 168 | 85 Ų | 85 | 73% | 0.73 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -69.2 | -42.1 | 179.3 | -171.4 | -177.7 | 176.5 | -170.2 | 0 | 112.5 | R191 E192 I193 | R191-K195 WeakPolarHBondContact O-CB 3.41Å; R191-K195 PolarHBondContact O-N 3.42Å; E192-K195 PolarHBondContact O-N 3.33Å; I193-K195 VanDerWaalsContact C-N 3.33Å; I193-K195 PolarHBondContact O-N 3.08Å |
| 196 | Q | 89.5 | Confident | 89.3 | Confident | 116 Ų | 116 | 83 Ų | 83 | 54% | 0.542 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -85.3 | -41.7 | -175.7 | -66.1 | -172.7 | 4 | 0 | 0 | 113.6 | E192 | E192-Q196 HydrophobicContact CG-CG 4.38Å; E192-Q196 WeakPolarHBondContact O-CB 3.45Å; E192-Q196 WeakPolarHBondContact O-CG 3.49Å; E192-Q196 PolarHBondContact O-N 3.49Å; E192-Q196 WeakPolarHBondContact OE1-CG 3.31Å; E192-Q196 PolarHBondContact OE1-NE2 3.28Å |
| 197 | E | 88.9 | Confident | 89.1 | Confident | 55 Ų | 55 | 82.3 Ų | 82.3 | 26% | 0.257 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -116.6 | -10.5 | -170.5 | -60.5 | -176 | -160.7 | 0 | 0 | 113.2 | R172 I193 R201 | R172-E197 IonicContact CZ-OE1 2.64Å; R172-E197 IonicContact CZ-OE2 3.12Å; R172-E197 IonicContact NH1-OE1 3.65Å; R172-E197 PolarHBondContact NH1-OE1 3.27Å; R172-E197 IonicContact NH2-OE1 2.68Å; R172-E197 PolarHBondContact NH2-OE1 3.5Å; R172-E197 IonicContact NH2-OE2 3.58Å; R172-E197 PolarHBondContact NH2-OE2 2.92Å; I193-E197 WeakPolarHBondContact O-CA 3.26Å; I193-E197 PolarHBondContact O-N 3.26Å; E197-R201 WeakPolarHBondContact O-CB 3.34Å |
| 198 | G | 90.9 | Very high | 88.9 | Confident | 27 Ų | 27 | 79.2 Ų | 79.2 | 28% | 0.278 | 38% | 0.378 | S | S | . | . | trans | 77.3 | 171.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | I193 V194 G202 | I193-G198 PolarHBondContact O-N 3.06Å; V194-G198 WeakPolarHBondContact O-CA 3.29Å; V194-G198 PolarHBondContact O-N 2.87Å; G198-G202 VanDerWaalsContact O-CA 3.28Å; G198-G202 WeakPolarHBondContact O-CA 2.98Å; G198-G202 PolarHBondContact O-N 2.87Å | ||
| 199 | I | 88.8 | Confident | 88.6 | Confident | 104 Ų | 104 | 83.7 Ų | 83.7 | 53% | 0.533 | 39% | 0.391 | S | S | . | . | I | π-helix | trans | -67.1 | -53.2 | -175 | -61.7 | 173.6 | 0 | 0 | 0 | 111.4 | V194 L203 Y204 | V194-I199 HydrophobicContact CG1-CG1 3.95Å; V194-I199 HydrophobicContact CG2-CG1 4.21Å; I199-L203 WeakPolarHBondContact O-CB 3.5Å; I199-L203 PolarHBondContact O-N 3.41Å; I199-Y204 HydrophobicContact CG2-CD2 4.36Å; I199-Y204 HydrophobicContact CG2-CE2 4.22Å; I199-Y204 PolarHBondContact O-N 3.25Å |
| 200 | R | 86.6 | Confident | 88.3 | Confident | 218 Ų | 218 | 86.1 Ų | 86.1 | 82% | 0.823 | 40% | 0.404 | S | S | * | . | I | π-helix | trans | -70.5 | -46.2 | -176 | -74.5 | -173.9 | 177.5 | 179.8 | 0.1 | 112.8 | Y204 | R200-Y204 CarbonylContact O-C 3.57Å; R200-Y204 WeakPolarHBondContact O-CB 3.17Å |
| 201 | R | 86.4 | Confident | 88 | Confident | 212 Ų | 212 | 88.4 Ų | 88.4 | 80% | 0.8 | 41% | 0.41 | S | S | * | . | I | π-helix | trans | -83.9 | -20.6 | -175.4 | -70.7 | -178.7 | 179.4 | 174.3 | 0.1 | 113.6 | E197 K205 | E197-R201 WeakPolarHBondContact O-CB 3.34Å; R201-K205 VanDerWaalsContact O-CB 3.29Å; R201-K205 WeakPolarHBondContact O-CB 3.25Å |
| 202 | G | 89 | Confident | 87.7 | Confident | 0 Ų | 0 | 82.8 Ų | 82.8 | 0% | 0 | 40% | 0.398 | C | S | . | . | I | π-helix | trans | -92.6 | -71.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | G198 Y204 K205 | G198-G202 VanDerWaalsContact O-CA 3.28Å; G198-G202 WeakPolarHBondContact O-CA 2.98Å; G198-G202 PolarHBondContact O-N 2.87Å; G202-Y204 VanDerWaalsContact C-N 3.32Å; G202-Y204 PolarHBondContact O-N 2.91Å; G202-K205 WeakPolarHBondContact O-CB 3.37Å; G202-K205 PolarHBondContact O-N 3.49Å |
| 203 | L | 89.3 | Confident | 87.4 | Confident | 13 Ų | 13 | 86.3 Ų | 86.3 | 7% | 0.068 | 41% | 0.412 | C | S | . | . | I | π-helix | trans | -69.3 | -24.5 | -171.6 | -63.9 | 178.1 | 0 | 0 | 0 | 114.3 | Y164 P165 V168 M190 I193 V194 I199 | Y164-L203 WeakPolarHBondContact CD1-O 3.29Å; Y164-L203 WeakPolarHBondContact CE1-O 3.44Å; P165-L203 HydrophobicContact CB-CB 4.36Å; P165-L203 HydrophobicContact CB-CD1 4.33Å; P165-L203 HydrophobicContact CB-CD2 4.32Å; V168-L203 WeakPolarHBondContact CG2-O 3.38Å; M190-L203 HydrophobicContact CG-CD1 4.32Å; M190-L203 HydrophobicContact CG-CD2 4.06Å; I193-L203 HydrophobicContact CB-CD2 4.38Å; I193-L203 HydrophobicContact CD1-CD2 4.47Å; I193-L203 HydrophobicContact CG2-CD2 3.94Å; I193-L203 HydrophobicContact CG2-CG 4.33Å; V194-L203 HydrophobicContact CG2-CD1 3.64Å; V194-L203 HydrophobicContact CG2-CG 4.04Å; I199-L203 WeakPolarHBondContact O-CB 3.5Å; I199-L203 PolarHBondContact O-N 3.41Å |
| 204 | Y | 91 | Very high | 86.8 | Confident | 85 Ų | 85 | 87.9 Ų | 87.9 | 33% | 0.333 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | 14.1 | -179.8 | -67.4 | -85.2 | 0 | 0 | 0 | 113.9 | S161 Y164 P165 I199 R200 G202 G206 L207 | S161-Y204 WeakPolarHBondContact O-CE1 3.21Å; Y164-Y204 HydrophobicContact CD1-CD1 4.02Å; P165-Y204 HydrophobicContact CG-CE1 4.44Å; P165-Y204 HydrophobicContact CG-CE2 4.31Å; I199-Y204 HydrophobicContact CG2-CD2 4.36Å; I199-Y204 HydrophobicContact CG2-CE2 4.22Å; I199-Y204 PolarHBondContact O-N 3.25Å; R200-Y204 CarbonylContact O-C 3.57Å; R200-Y204 WeakPolarHBondContact O-CB 3.17Å; G202-Y204 VanDerWaalsContact C-N 3.32Å; G202-Y204 PolarHBondContact O-N 2.91Å; Y204-G206 PolarHBondContact O-N 2.84Å; Y204-L207 HydrophobicContact CD1-CD2 3.9Å; Y204-L207 PolarHBondContact O-N 3.01Å |
| 205 | K | 86 | Confident | 86.4 | Confident | 125 Ų | 125 | 89.6 Ų | 89.6 | 54% | 0.543 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 121.4 | 179.5 | -161.7 | 174 | -179.7 | 173.1 | 0 | 111.3 | Y164 R201 G202 L207 | Y164-K205 WeakPolarHBondContact CE1-O 3.31Å; Y164-K205 PolarHBondContact OH-O 3.41Å; R201-K205 VanDerWaalsContact O-CB 3.29Å; R201-K205 WeakPolarHBondContact O-CB 3.25Å; G202-K205 WeakPolarHBondContact O-CB 3.37Å; G202-K205 PolarHBondContact O-N 3.49Å; K205-L207 VanDerWaalsContact C-N 3.35Å |
| 206 | G | 84 | Confident | 86.1 | Confident | 36 Ų | 36 | 86.2 Ų | 86.2 | 37% | 0.371 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | 11 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y164 Y204 S208 M209 N210 | Y164-G206 PolarHBondContact OH-O 3.43Å; Y204-G206 PolarHBondContact O-N 2.84Å; G206-S208 VanDerWaalsContact C-N 3.31Å; G206-S208 PolarHBondContact O-N 2.85Å; G206-M209 WeakPolarHBondContact O-CB 3.44Å; G206-M209 PolarHBondContact O-N 3.4Å; G206-N210 PolarHBondContact O-N 3.31Å |
| 207 | L | 85.4 | Confident | 85.7 | Confident | 19 Ų | 19 | 83 Ų | 83 | 10% | 0.099 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -56.9 | -45.3 | 176.9 | 175.7 | 63.7 | 0 | 0 | 0 | 111.7 | Q160 Y164 Y204 K205 M209 N210 W211 | Q160-L207 HydrophobicContact CG-CD1 4.35Å; Y164-L207 HydrophobicContact CD1-CB 4.16Å; Y164-L207 HydrophobicContact CD1-CD1 4.32Å; Y164-L207 HydrophobicContact CD2-CB 4.43Å; Y164-L207 HydrophobicContact CD2-CD1 3.42Å; Y164-L207 VanDerWaalsContact CD2-CD1 3.42Å; Y164-L207 HydrophobicContact CD2-CG 4.49Å; Y164-L207 HydrophobicContact CE1-CB 3.92Å; Y164-L207 HydrophobicContact CE2-CB 4.16Å; Y164-L207 HydrophobicContact CE2-CD1 3.75Å; Y164-L207 HydrophobicContact CG-CB 4.43Å; Y164-L207 HydrophobicContact CG-CD1 3.74Å; Y164-L207 PolarHBondContact OH-N 3.03Å; Y204-L207 HydrophobicContact CD1-CD2 3.9Å; Y204-L207 PolarHBondContact O-N 3.01Å; K205-L207 VanDerWaalsContact C-N 3.35Å; L207-M209 VanDerWaalsContact C-N 3.29Å; L207-M209 PolarHBondContact O-N 3.48Å; L207-N210 WeakPolarHBondContact O-CB 3.42Å; L207-N210 PolarHBondContact O-N 3.04Å; L207-W211 HydrophobicContact CD1-CZ2 4.34Å; L207-W211 HydrophobicContact CD2-CH2 4.28Å; L207-W211 HydrophobicContact CD2-CZ2 3.68Å; L207-W211 HydrophobicContact CG-CD2 4.4Å; L207-W211 HydrophobicContact CG-CZ2 3.92Å; L207-W211 PolarHBondContact O-N 3.21Å; L207-W211 VanDerWaalsContact O-N 3.08Å |
| 208 | S | 86.3 | Confident | 85.3 | Confident | 82 Ų | 82 | 84 Ų | 84 | 57% | 0.573 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -59 | -38.6 | 177.7 | 54.4 | 0 | 0 | 0 | 0 | 112.8 | G206 N210 W211 V212 | G206-S208 VanDerWaalsContact C-N 3.31Å; G206-S208 PolarHBondContact O-N 2.85Å; S208-N210 VanDerWaalsContact C-N 3.3Å; S208-N210 PolarHBondContact O-N 3.44Å; S208-W211 PolarHBondContact O-N 2.98Å; S208-V212 WeakPolarHBondContact O-CG2 3.43Å; S208-V212 PolarHBondContact O-N 3.45Å; S208-V212 VanDerWaalsContact O-N 3.14Å |
| 209 | M | 83.3 | Confident | 85 | Confident | 127 Ų | 127 | 84.3 Ų | 84.3 | 63% | 0.626 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -63.4 | -38.3 | 176 | -174.8 | 61.1 | 69.4 | 0 | 0 | 111.6 | G206 L207 V212 K213 | G206-M209 WeakPolarHBondContact O-CB 3.44Å; G206-M209 PolarHBondContact O-N 3.4Å; L207-M209 VanDerWaalsContact C-N 3.29Å; L207-M209 PolarHBondContact O-N 3.48Å; M209-V212 PolarHBondContact O-N 2.69Å; M209-K213 WeakPolarHBondContact O-CB 3.37Å; M209-K213 PolarHBondContact O-N 3.01Å |
| 210 | N | 82.2 | Confident | 84.9 | Confident | 52 Ų | 52 | 84.3 Ų | 84.3 | 28% | 0.278 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.4 | -38.1 | 175.8 | -94 | -14.5 | 0 | 0 | 0 | 112.7 | G206 L207 S208 V212 G214 | G206-N210 PolarHBondContact O-N 3.31Å; L207-N210 WeakPolarHBondContact O-CB 3.42Å; L207-N210 PolarHBondContact O-N 3.04Å; S208-N210 VanDerWaalsContact C-N 3.3Å; S208-N210 PolarHBondContact O-N 3.44Å; N210-V212 VanDerWaalsContact C-N 3.29Å; N210-V212 PolarHBondContact O-N 2.9Å; N210-G214 PolarHBondContact O-N 3.47Å |
| 211 | W | 84.6 | Confident | 84.6 | Confident | 100 Ų | 100 | 77.5 Ų | 77.5 | 38% | 0.379 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63 | -34.9 | 174.9 | -67.8 | -12.7 | 0 | 0 | 0 | 113.1 | L157 Q160 S161 L207 S208 P215 | L157-W211 HydrophobicContact CD2-CB 3.96Å; L157-W211 HydrophobicContact CD2-CD2 3.94Å; L157-W211 HydrophobicContact CD2-CG 3.51Å; Q160-W211 VanDerWaalsContact OE1-CD1 3.27Å; S161-W211 WeakPolarHBondContact OG-CZ2 3.47Å; L207-W211 HydrophobicContact CD1-CZ2 4.34Å; L207-W211 HydrophobicContact CD2-CH2 4.28Å; L207-W211 HydrophobicContact CD2-CZ2 3.68Å; L207-W211 HydrophobicContact CG-CD2 4.4Å; L207-W211 HydrophobicContact CG-CZ2 3.92Å; L207-W211 PolarHBondContact O-N 3.21Å; L207-W211 VanDerWaalsContact O-N 3.08Å; S208-W211 PolarHBondContact O-N 2.98Å; W211-P215 WeakPolarHBondContact O-CD 3.3Å; W211-P215 VanDerWaalsContact O-CG 3.3Å; W211-P215 WeakPolarHBondContact O-CG 3.19Å |
| 212 | V | 85.8 | Confident | 84.6 | Confident | 81 Ų | 81 | 73.7 Ų | 73.7 | 49% | 0.491 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -83.5 | -43.2 | -177.5 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | S208 M209 N210 G214 P215 I216 | S208-V212 WeakPolarHBondContact O-CG2 3.43Å; S208-V212 PolarHBondContact O-N 3.45Å; S208-V212 VanDerWaalsContact O-N 3.14Å; M209-V212 PolarHBondContact O-N 2.69Å; N210-V212 VanDerWaalsContact C-N 3.29Å; N210-V212 PolarHBondContact O-N 2.9Å; V212-G214 PolarHBondContact O-N 3.23Å; V212-P215 WeakPolarHBondContact O-CD 3.46Å; V212-I216 HydrophobicContact CG1-CD1 3.44Å; V212-I216 VanDerWaalsContact CG1-CD1 3.44Å; V212-I216 HydrophobicContact CG1-CG1 4.37Å; V212-I216 VanDerWaalsContact O-CG1 3.29Å; V212-I216 WeakPolarHBondContact O-CG1 3.49Å; V212-I216 PolarHBondContact O-N 2.85Å |
| 213 | K | 82.5 | Confident | 84.6 | Confident | 138 Ų | 138 | 77.8 Ų | 77.8 | 60% | 0.6 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -62.1 | -40.4 | -174.5 | -176.9 | 179.8 | 179.3 | 179.5 | 0 | 113.1 | M209 A217 | M209-K213 WeakPolarHBondContact O-CB 3.37Å; M209-K213 PolarHBondContact O-N 3.01Å; K213-A217 WeakPolarHBondContact O-CB 3.42Å; K213-A217 PolarHBondContact O-N 3.49Å |
| 214 | G | 78.7 | Confident | 84.6 | Confident | 35 Ų | 35 | 80.8 Ų | 80.8 | 36% | 0.361 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.2 | -60.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | N210 V212 I216 A217 V218 | N210-G214 PolarHBondContact O-N 3.47Å; V212-G214 PolarHBondContact O-N 3.23Å; G214-I216 VanDerWaalsContact C-N 3.31Å; G214-I216 PolarHBondContact O-N 2.92Å; G214-A217 PolarHBondContact O-N 3.45Å; G214-V218 WeakPolarHBondContact O-CG2 3.36Å; G214-V218 PolarHBondContact O-N 3Å |
| 215 | P | 82.7 | Confident | 84.4 | Confident | 88 Ų | 88 | 82.5 Ų | 82.5 | 57% | 0.571 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -56.6 | -39.9 | 178 | -27.6 | 36.3 | 0 | 0 | 0 | 113.7 | W211 V212 V218 G219 | W211-P215 WeakPolarHBondContact O-CD 3.3Å; W211-P215 VanDerWaalsContact O-CG 3.3Å; W211-P215 WeakPolarHBondContact O-CG 3.19Å; V212-P215 WeakPolarHBondContact O-CD 3.46Å; P215-V218 PolarHBondContact O-N 3.33Å; P215-G219 PolarHBondContact O-N 2.97Å |
| 216 | I | 85.5 | Confident | 84.6 | Confident | 97 Ų | 97 | 80.5 Ų | 80.5 | 50% | 0.497 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.7 | -48 | 177.3 | -67 | 175.7 | 0 | 0 | 0 | 110.8 | V212 G214 V218 G219 I220 | V212-I216 HydrophobicContact CG1-CD1 3.44Å; V212-I216 VanDerWaalsContact CG1-CD1 3.44Å; V212-I216 HydrophobicContact CG1-CG1 4.37Å; V212-I216 VanDerWaalsContact O-CG1 3.29Å; V212-I216 WeakPolarHBondContact O-CG1 3.49Å; V212-I216 PolarHBondContact O-N 2.85Å; G214-I216 VanDerWaalsContact C-N 3.31Å; G214-I216 PolarHBondContact O-N 2.92Å; I216-V218 VanDerWaalsContact C-N 3.32Å; I216-V218 PolarHBondContact O-N 3.48Å; I216-G219 PolarHBondContact O-N 3.3Å; I216-I220 HydrophobicContact CG2-CD1 3.75Å; I216-I220 HydrophobicContact CG2-CG1 4.44Å; I216-I220 VanDerWaalsContact O-CG1 3.31Å; I216-I220 WeakPolarHBondContact O-CG1 3.31Å; I216-I220 PolarHBondContact O-N 3.5Å |
| 217 | A | 81.7 | Confident | 85 | Confident | 49 Ų | 49 | 83.1 Ų | 83.1 | 41% | 0.405 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.4 | -41.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | K213 G214 S221 | K213-A217 WeakPolarHBondContact O-CB 3.42Å; K213-A217 PolarHBondContact O-N 3.49Å; G214-A217 PolarHBondContact O-N 3.45Å; A217-S221 WeakPolarHBondContact O-CB 3.12Å; A217-S221 PolarHBondContact O-N 2.87Å; A217-S221 PolarHBondContact O-OG 3.43Å |
| 218 | V | 80.3 | Confident | 85.2 | Confident | 77 Ų | 77 | 85.3 Ų | 85.3 | 47% | 0.467 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.2 | -46 | 176.5 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | G214 P215 I216 S221 F222 | G214-V218 WeakPolarHBondContact O-CG2 3.36Å; G214-V218 PolarHBondContact O-N 3Å; P215-V218 PolarHBondContact O-N 3.33Å; I216-V218 VanDerWaalsContact C-N 3.32Å; I216-V218 PolarHBondContact O-N 3.48Å; V218-S221 WeakPolarHBondContact O-CB 3.35Å; V218-S221 PolarHBondContact O-N 2.95Å; V218-F222 HydrophobicContact CG1-CD2 3.49Å; V218-F222 VanDerWaalsContact CG1-CD2 3.49Å; V218-F222 HydrophobicContact CG1-CE2 3.37Å; V218-F222 VanDerWaalsContact O-CD2 3.29Å; V218-F222 WeakPolarHBondContact O-CD2 3.02Å; V218-F222 PolarHBondContact O-N 3.04Å |
| 219 | G | 85.2 | Confident | 85.3 | Confident | 33 Ų | 33 | 85.6 Ų | 85.6 | 34% | 0.34 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.9 | -49.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | P215 I216 S221 F222 T223 | P215-G219 PolarHBondContact O-N 2.97Å; I216-G219 PolarHBondContact O-N 3.3Å; G219-S221 VanDerWaalsContact C-N 3.27Å; G219-S221 PolarHBondContact O-N 2.75Å; G219-F222 PolarHBondContact O-N 3.29Å; G219-T223 WeakPolarHBondContact O-CB 3.33Å; G219-T223 PolarHBondContact O-N 2.93Å; G219-T223 PolarHBondContact O-OG1 3.44Å |
| 220 | I | 86.4 | Confident | 85.6 | Confident | 103 Ų | 103 | 83.8 Ų | 83.8 | 53% | 0.528 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.8 | -41.8 | 175.7 | -67.1 | 167.2 | 0 | 0 | 0 | 110.9 | I216 T224 | I216-I220 HydrophobicContact CG2-CD1 3.75Å; I216-I220 HydrophobicContact CG2-CG1 4.44Å; I216-I220 VanDerWaalsContact O-CG1 3.31Å; I216-I220 WeakPolarHBondContact O-CG1 3.31Å; I216-I220 PolarHBondContact O-N 3.5Å; I220-T224 VanDerWaalsContact O-CB 3.29Å; I220-T224 WeakPolarHBondContact O-CB 3.34Å; I220-T224 PolarHBondContact O-N 2.71Å; I220-T224 PolarHBondContact O-OG1 3.19Å |
| 221 | S | 81.3 | Confident | 86 | Confident | 76 Ų | 76 | 86 Ų | 86 | 53% | 0.531 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.1 | -45.9 | -179.6 | -58 | 0 | 0 | 0 | 0 | 111.8 | A217 V218 G219 T224 F225 | A217-S221 WeakPolarHBondContact O-CB 3.12Å; A217-S221 PolarHBondContact O-N 2.87Å; A217-S221 PolarHBondContact O-OG 3.43Å; V218-S221 WeakPolarHBondContact O-CB 3.35Å; V218-S221 PolarHBondContact O-N 2.95Å; G219-S221 VanDerWaalsContact C-N 3.27Å; G219-S221 PolarHBondContact O-N 2.75Å; S221-T224 PolarHBondContact O-N 2.69Å; S221-F225 WeakPolarHBondContact O-CB 3.45Å; S221-F225 PolarHBondContact O-N 2.91Å |
| 222 | F | 85.1 | Confident | 86.3 | Confident | 131 Ų | 131 | 86.8 Ų | 86.8 | 58% | 0.575 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.4 | -46.9 | 176.9 | -81 | -63.6 | 0 | 0 | 0 | 112.1 | V218 G219 T224 F225 D226 | V218-F222 HydrophobicContact CG1-CD2 3.49Å; V218-F222 VanDerWaalsContact CG1-CD2 3.49Å; V218-F222 HydrophobicContact CG1-CE2 3.37Å; V218-F222 VanDerWaalsContact O-CD2 3.29Å; V218-F222 WeakPolarHBondContact O-CD2 3.02Å; V218-F222 PolarHBondContact O-N 3.04Å; G219-F222 PolarHBondContact O-N 3.29Å; F222-T224 VanDerWaalsContact C-N 3.29Å; F222-T224 PolarHBondContact O-N 2.95Å; F222-F225 WeakPolarHBondContact O-CB 3.29Å; F222-F225 PolarHBondContact O-N 2.96Å; F222-F225 VanDerWaalsContact O-N 3.16Å; F222-D226 PolarHBondContact O-N 3.01Å |
| 223 | T | 89.6 | Confident | 86.5 | Confident | 86 Ų | 86 | 86.5 Ų | 86.5 | 53% | 0.528 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.8 | -41.9 | 177.3 | -56 | 0 | 0 | 0 | 0 | 111.6 | G219 D226 V227 | G219-T223 WeakPolarHBondContact O-CB 3.33Å; G219-T223 PolarHBondContact O-N 2.93Å; G219-T223 PolarHBondContact O-OG1 3.44Å; T223-D226 PolarHBondContact O-N 3.38Å; T223-V227 HydrophobicContact CG2-CG2 4.45Å; T223-V227 WeakPolarHBondContact O-CB 3.45Å; T223-V227 VanDerWaalsContact O-CG2 3.27Å; T223-V227 WeakPolarHBondContact O-CG2 3.26Å; T223-V227 PolarHBondContact O-N 2.92Å |
| 224 | T | 88.9 | Confident | 86.8 | Confident | 77 Ų | 77 | 86.4 Ų | 86.4 | 47% | 0.472 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 177.5 | -55.6 | 0 | 0 | 0 | 0 | 111 | I220 S221 F222 T228 | I220-T224 VanDerWaalsContact O-CB 3.29Å; I220-T224 WeakPolarHBondContact O-CB 3.34Å; I220-T224 PolarHBondContact O-N 2.71Å; I220-T224 PolarHBondContact O-OG1 3.19Å; S221-T224 PolarHBondContact O-N 2.69Å; F222-T224 VanDerWaalsContact C-N 3.29Å; F222-T224 PolarHBondContact O-N 2.95Å; T224-T228 HydrophobicContact CG2-CG2 4.43Å; T224-T228 WeakPolarHBondContact O-CB 3.48Å; T224-T228 VanDerWaalsContact O-CG2 3.28Å; T224-T228 WeakPolarHBondContact O-CG2 3.48Å; T224-T228 PolarHBondContact O-N 3.38Å; T224-T228 PolarHBondContact O-OG1 2.84Å |
| 225 | F | 88.1 | Confident | 87.2 | Confident | 120 Ų | 120 | 89.4 Ų | 89.4 | 53% | 0.526 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.5 | -48.7 | 175.9 | 177.6 | -95.6 | 0 | 0 | 0 | 111.6 | S221 F222 V227 T228 H229 | S221-F225 WeakPolarHBondContact O-CB 3.45Å; S221-F225 PolarHBondContact O-N 2.91Å; F222-F225 WeakPolarHBondContact O-CB 3.29Å; F222-F225 PolarHBondContact O-N 2.96Å; F222-F225 VanDerWaalsContact O-N 3.16Å; F225-V227 PolarHBondContact O-N 3.47Å; F225-T228 WeakPolarHBondContact CA-OG1 3.47Å; F225-T228 PolarHBondContact O-N 2.95Å; F225-T228 PolarHBondContact O-OG1 3.45Å; F225-H229 WeakPolarHBondContact O-CB 3.38Å; F225-H229 PolarHBondContact O-N 2.92Å |
| 226 | D | 89 | Confident | 87.5 | Confident | 83 Ų | 83 | 90.9 Ų | 90.9 | 44% | 0.444 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.4 | -44.1 | -178.5 | -70.3 | -17.7 | 0 | 0 | 0 | 111.8 | F222 T223 N230 | F222-D226 PolarHBondContact O-N 3.01Å; T223-D226 PolarHBondContact O-N 3.38Å; D226-N230 VanDerWaalsContact O-CB 3.26Å; D226-N230 WeakPolarHBondContact O-CB 3.39Å; D226-N230 PolarHBondContact O-N 3.34Å; D226-N230 PolarHBondContact O-ND2 3.17Å |
| 227 | V | 92.3 | Very high | 87.4 | Confident | 92 Ų | 92 | 92.6 Ų | 92.6 | 56% | 0.558 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.1 | -45.8 | 178 | 170.4 | 0 | 0 | 0 | 0 | 110.9 | T223 F225 L231 | T223-V227 HydrophobicContact CG2-CG2 4.45Å; T223-V227 WeakPolarHBondContact O-CB 3.45Å; T223-V227 VanDerWaalsContact O-CG2 3.27Å; T223-V227 WeakPolarHBondContact O-CG2 3.26Å; T223-V227 PolarHBondContact O-N 2.92Å; F225-V227 PolarHBondContact O-N 3.47Å; V227-L231 WeakPolarHBondContact O-CB 3.13Å; V227-L231 PolarHBondContact O-N 2.92Å |
| 228 | T | 90.1 | Very high | 87.3 | Confident | 65 Ų | 65 | 96.6 Ų | 96.6 | 40% | 0.399 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.6 | -40.3 | -179.4 | 51.4 | 0 | 0 | 0 | 0 | 112.1 | T224 F225 L231 L232 | T224-T228 HydrophobicContact CG2-CG2 4.43Å; T224-T228 WeakPolarHBondContact O-CB 3.48Å; T224-T228 VanDerWaalsContact O-CG2 3.28Å; T224-T228 WeakPolarHBondContact O-CG2 3.48Å; T224-T228 PolarHBondContact O-N 3.38Å; T224-T228 PolarHBondContact O-OG1 2.84Å; F225-T228 WeakPolarHBondContact CA-OG1 3.47Å; F225-T228 PolarHBondContact O-N 2.95Å; F225-T228 PolarHBondContact O-OG1 3.45Å; T228-L231 PolarHBondContact O-N 3.4Å; T228-L232 WeakPolarHBondContact O-CB 3.48Å; T228-L232 WeakPolarHBondContact O-CG 3.45Å; T228-L232 PolarHBondContact O-N 2.93Å |
| 229 | H | 88.1 | Confident | 86.7 | Confident | 88 Ų | 88 | 95.3 Ų | 95.3 | 41% | 0.407 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.3 | -47.7 | 175.4 | -173.5 | 71.9 | 0 | 0 | 0 | 111.4 | F225 L231 L232 L233 | F225-H229 WeakPolarHBondContact O-CB 3.38Å; F225-H229 PolarHBondContact O-N 2.92Å; H229-L231 VanDerWaalsContact C-N 3.32Å; H229-L231 PolarHBondContact O-N 3.36Å; H229-L232 PolarHBondContact O-N 2.8Å; H229-L233 WeakPolarHBondContact NE2-CD1 3.33Å; H229-L233 WeakPolarHBondContact O-CG 3.45Å; H229-L233 PolarHBondContact O-N 3.45Å |
| 230 | N | 89.6 | Confident | 85.4 | Confident | 89 Ų | 89 | 102.2 Ų | 102.2 | 48% | 0.476 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.8 | -37.9 | 177.1 | -74.7 | -41.5 | 0 | 0 | 0 | 112.4 | D226 K234 | D226-N230 VanDerWaalsContact O-CB 3.26Å; D226-N230 WeakPolarHBondContact O-CB 3.39Å; D226-N230 PolarHBondContact O-N 3.34Å; D226-N230 PolarHBondContact O-ND2 3.17Å; N230-K234 WeakPolarHBondContact O-CB 3.49Å; N230-K234 WeakPolarHBondContact O-CG 3.37Å; N230-K234 PolarHBondContact O-N 3.38Å |
| 231 | L | 90.9 | Very high | 83.8 | Confident | 99 Ų | 99 | 102.1 Ų | 102.1 | 52% | 0.518 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.2 | -46 | 174.8 | -178.4 | 67 | 0 | 0 | 0 | 111.4 | V227 T228 H229 L233 K234 L235 | V227-L231 WeakPolarHBondContact O-CB 3.13Å; V227-L231 PolarHBondContact O-N 2.92Å; T228-L231 PolarHBondContact O-N 3.4Å; H229-L231 VanDerWaalsContact C-N 3.32Å; H229-L231 PolarHBondContact O-N 3.36Å; L231-L233 PolarHBondContact O-N 3.36Å; L231-K234 PolarHBondContact O-N 3.2Å; L231-L235 HydrophobicContact CG-CD1 4.14Å; L231-L235 WeakPolarHBondContact O-CG 3.41Å; L231-L235 PolarHBondContact O-N 3.34Å |
| 232 | L | 90.8 | Very high | 82.4 | Confident | 115 Ų | 115 | 105 Ų | 105 | 60% | 0.602 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.1 | -42.3 | 177.6 | -78.4 | 167.1 | 0 | 0 | 0 | 112 | T228 H229 L235 H236 | T228-L232 WeakPolarHBondContact O-CB 3.48Å; T228-L232 WeakPolarHBondContact O-CG 3.45Å; T228-L232 PolarHBondContact O-N 2.93Å; H229-L232 PolarHBondContact O-N 2.8Å; L232-L235 PolarHBondContact O-N 3.06Å; L232-H236 WeakPolarHBondContact O-CB 3.4Å; L232-H236 PolarHBondContact O-N 3.32Å |
| 233 | L | 89.9 | Confident | 80.3 | Confident | 76 Ų | 76 | 111 Ų | 111 | 40% | 0.398 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61.6 | -44.3 | 174.9 | -73.7 | 177 | 0 | 0 | 0 | 111.7 | H229 L231 H236 Q237 | H229-L233 WeakPolarHBondContact NE2-CD1 3.33Å; H229-L233 WeakPolarHBondContact O-CG 3.45Å; H229-L233 PolarHBondContact O-N 3.45Å; L231-L233 PolarHBondContact O-N 3.36Å; L233-H236 PolarHBondContact O-N 2.94Å; L233-Q237 WeakPolarHBondContact O-CG 3.35Å; L233-Q237 PolarHBondContact O-N 3.37Å |
| 234 | K | 88.8 | Confident | 79.9 | Confident | 135 Ų | 135 | 112.2 Ų | 112.2 | 59% | 0.587 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62 | -44.9 | 175.8 | -77.4 | -179.5 | 178.6 | -175.9 | 0 | 112.1 | N230 L231 H236 Q237 M238 | N230-K234 WeakPolarHBondContact O-CB 3.49Å; N230-K234 WeakPolarHBondContact O-CG 3.37Å; N230-K234 PolarHBondContact O-N 3.38Å; L231-K234 PolarHBondContact O-N 3.2Å; K234-H236 VanDerWaalsContact C-N 3.32Å; K234-H236 PolarHBondContact O-N 3.46Å; K234-Q237 PolarHBondContact O-N 2.94Å; K234-M238 WeakPolarHBondContact O-CB 3.45Å; K234-M238 VanDerWaalsContact O-CG 3.27Å; K234-M238 WeakPolarHBondContact O-CG 3.21Å; K234-M238 PolarHBondContact O-N 3.15Å |
| 235 | L | 87.5 | Confident | 79.4 | Confident | 99 Ų | 99 | 114.1 Ų | 114.1 | 52% | 0.518 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.9 | -39.4 | 177.2 | -72.8 | 171.5 | 0 | 0 | 0 | 111.9 | L231 L232 M238 G239 | L231-L235 HydrophobicContact CG-CD1 4.14Å; L231-L235 WeakPolarHBondContact O-CG 3.41Å; L231-L235 PolarHBondContact O-N 3.34Å; L232-L235 PolarHBondContact O-N 3.06Å; L235-M238 PolarHBondContact O-N 2.87Å; L235-G239 PolarHBondContact O-N 3.13Å |
| 236 | H | 87.7 | Confident | 78.9 | Confident | 118 Ų | 118 | 113.7 Ų | 113.7 | 55% | 0.546 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.6 | -44.4 | 175.6 | -172.1 | 76.4 | 0 | 0 | 0 | 112 | L232 L233 K234 G239 Y240 | L232-H236 WeakPolarHBondContact O-CB 3.4Å; L232-H236 PolarHBondContact O-N 3.32Å; L233-H236 PolarHBondContact O-N 2.94Å; K234-H236 VanDerWaalsContact C-N 3.32Å; K234-H236 PolarHBondContact O-N 3.46Å; H236-G239 PolarHBondContact O-N 3.33Å; H236-Y240 AromaticContact CE1-CD2 3.97Å; H236-Y240 AromaticContact CE1-CE2 3.48Å; H236-Y240 VanDerWaalsContact CE1-CE2 3.48Å; H236-Y240 WeakPolarHBondContact CE1-CE2 3.44Å; H236-Y240 AromaticContact NE2-CD2 3.72Å; H236-Y240 AromaticContact NE2-CE2 3.37Å; H236-Y240 WeakPolarHBondContact NE2-CE2 3.4Å; H236-Y240 PolarHBondContact O-N 3.21Å; H236-Y240 VanDerWaalsContact O-N 3.11Å |
| 237 | Q | 83.5 | Confident | 78.3 | Confident | 134 Ų | 134 | 115.5 Ų | 115.5 | 63% | 0.626 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64.5 | -38.7 | 176.1 | -73.2 | 174 | -9.7 | 0 | 0 | 112.4 | L233 K234 G239 Y240 S241 | L233-Q237 WeakPolarHBondContact O-CG 3.35Å; L233-Q237 PolarHBondContact O-N 3.37Å; K234-Q237 PolarHBondContact O-N 2.94Å; Q237-G239 VanDerWaalsContact C-N 3.34Å; Q237-Y240 PolarHBondContact O-N 2.92Å; Q237-S241 PolarHBondContact O-N 3.15Å |
| 238 | M | 79.8 | Confident | 77.4 | Confident | 132 Ų | 132 | 117 Ų | 117 | 65% | 0.65 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66.1 | -36.1 | 174.2 | -71.1 | 176.9 | 75.6 | 0 | 0 | 112.3 | K234 L235 Y240 S241 | K234-M238 WeakPolarHBondContact O-CB 3.45Å; K234-M238 VanDerWaalsContact O-CG 3.27Å; K234-M238 WeakPolarHBondContact O-CG 3.21Å; K234-M238 PolarHBondContact O-N 3.15Å; L235-M238 PolarHBondContact O-N 2.87Å; M238-Y240 VanDerWaalsContact C-N 3.32Å; M238-S241 PolarHBondContact O-N 2.89Å |
| 239 | G | 68 | Low | 76.6 | Confident | 50 Ų | 50 | 120.5 Ų | 120.5 | 52% | 0.515 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -68.3 | -27.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L235 H236 Q237 | L235-G239 PolarHBondContact O-N 3.13Å; H236-G239 PolarHBondContact O-N 3.33Å; Q237-G239 VanDerWaalsContact C-N 3.34Å |
| 240 | Y | 58.2 | Low | 75.8 | Confident | 178 Ų | 178 | 122.8 Ų | 122.8 | 70% | 0.698 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -81.4 | -10.4 | 173.4 | -96.6 | -89 | 0 | 0 | 0 | 114.1 | H236 Q237 M238 | H236-Y240 AromaticContact CE1-CD2 3.97Å; H236-Y240 AromaticContact CE1-CE2 3.48Å; H236-Y240 VanDerWaalsContact CE1-CE2 3.48Å; H236-Y240 WeakPolarHBondContact CE1-CE2 3.44Å; H236-Y240 AromaticContact NE2-CD2 3.72Å; H236-Y240 AromaticContact NE2-CE2 3.37Å; H236-Y240 WeakPolarHBondContact NE2-CE2 3.4Å; H236-Y240 PolarHBondContact O-N 3.21Å; H236-Y240 VanDerWaalsContact O-N 3.11Å; Q237-Y240 PolarHBondContact O-N 2.92Å; M238-Y240 VanDerWaalsContact C-N 3.32Å |
| 241 | S | 52.3 | Low | 74.7 | Confident | 101 Ų | 101 | 125.4 Ų | 125.4 | 71% | 0.706 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | 12.3 | -177.7 | -155.1 | 0 | 0 | 0 | 0 | 114 | Q237 M238 | Q237-S241 PolarHBondContact O-N 3.15Å; M238-S241 PolarHBondContact O-N 2.89Å |
| 242 | I | 51.7 | Low | 73.3 | Confident | 138 Ų | 138 | 127.6 Ų | 127.6 | 71% | 0.708 | 65% | 0.645 | S | S | * | * | trans | -107.5 | 22.1 | -178.2 | -49.5 | 175.6 | 0 | 0 | 0 | 112.1 | ||||
| 243 | H | 41.9 | Very low | 71.8 | Confident | 255 Ų | 255 | 128.7 Ų | 128.7 | 100% | 1.181 | 65% | 0.649 | S | S | * | * | trans | -128.2 | 0 | 170.1 | -81.9 | -51.8 | 0 | 0 | 0 | 112 |
Retrieved 243 of 243 residues in 280.6 ms
(Link to these results)