| 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 | 31.9 | Very low | 44.4 | Very low | 209 Ų | 209 | 144.5 Ų | 144.5 | 100% | 1.03 | 75% | 0.747 | S | S | * | * | 0 | 100.2 | 0 | -174.5 | 173.3 | 78.1 | 0 | 0 | 107.4 | Q3 | M1-Q3 HydrophobicContact CG-CG 4.5Š| |||
| 2 | W | 29.3 | Very low | 47.8 | Very low | 242 Ų | 242 | 136.2 Ų | 136.2 | 92% | 0.917 | 72% | 0.715 | S | S | * | * | trans | -96.3 | 104.5 | 171.5 | -143.1 | 83.6 | 0 | 0 | 0 | 106.3 | ||||
| 3 | Q | 31.2 | Very low | 51 | Low | 156 Ų | 156 | 133.2 Ų | 133.2 | 73% | 0.729 | 71% | 0.706 | S | S | * | * | trans | -83.4 | 125.4 | 172.8 | -93 | 177.9 | -37.7 | 0 | 0 | 108.2 | M1 G5 | M1-Q3 HydrophobicContact CG-CG 4.5Å; Q3-G5 PolarHBondContact O-N 2.79Å; Q3-G5 VanDerWaalsContact O-N 3.09Å | ||
| 4 | R | 33.6 | Very low | 53.8 | Low | 237 Ų | 237 | 124.1 Ų | 124.1 | 89% | 0.894 | 66% | 0.658 | S | S | * | * | trans | -61 | 109.9 | 166.6 | -105.5 | -179.3 | 174.2 | 170.9 | -2 | 107.8 | ||||
| 5 | G | 40.5 | Very low | 56.2 | Low | 48 Ų | 48 | 118.1 Ų | 118.1 | 50% | 0.495 | 63% | 0.626 | S | S | . | * | trans | -63 | 150.9 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q3 S7 | Q3-G5 PolarHBondContact O-N 2.79Å; Q3-G5 VanDerWaalsContact O-N 3.09Å; G5-S7 PolarHBondContact O-N 2.98Å | ||
| 6 | P | 45.2 | Very low | 58.1 | Low | 120 Ų | 120 | 114.2 Ų | 114.2 | 78% | 0.779 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -54.8 | 139.5 | 176.3 | 24 | -32.1 | 0 | 0 | 0 | 109.3 | V8 | P6-V8 PolarHBondContact O-N 3.28Š|
| 7 | S | 48.3 | Very low | 59.8 | Low | 114 Ų | 114 | 110.9 Ų | 110.9 | 80% | 0.797 | 59% | 0.585 | S | S | * | * | trans | -24.7 | 95.4 | -177.6 | 51.9 | 0 | 0 | 0 | 0 | 112.2 | G5 S9 | G5-S7 PolarHBondContact O-N 2.98Å; S7-S9 VanDerWaalsContact C-N 3.26Å; S7-S9 PolarHBondContact O-N 3.3Å | ||
| 8 | V | 45.6 | Very low | 61.4 | Low | 105 Ų | 105 | 111.1 Ų | 111.1 | 64% | 0.636 | 58% | 0.582 | S | S | * | * | trans | -66 | 93.7 | 176.8 | 171.7 | 0 | 0 | 0 | 0 | 105 | P6 F10 | P6-V8 PolarHBondContact O-N 3.28Å; V8-F10 HydrophobicContact CB-CD2 4.23Å; V8-F10 HydrophobicContact CG1-CB 3.86Å; V8-F10 HydrophobicContact CG1-CD2 3.18Å; V8-F10 HydrophobicContact CG1-CE2 3.98Å; V8-F10 HydrophobicContact CG1-CG 3.83Å; V8-F10 PolarHBondContact O-N 2.98Å | ||
| 9 | S | 52.7 | Low | 62.8 | Low | 109 Ų | 109 | 105.7 Ų | 105.7 | 76% | 0.762 | 55% | 0.554 | S | S | * | * | trans | -76.3 | 26.7 | 176 | 72.1 | 0 | 0 | 0 | 0 | 111.6 | S7 | S7-S9 VanDerWaalsContact C-N 3.26Å; S7-S9 PolarHBondContact O-N 3.3Å | ||
| 10 | F | 57.9 | Low | 64 | Low | 164 Ų | 164 | 102 Ų | 102 | 72% | 0.719 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -67.8 | 141.1 | 174.5 | -76 | -105.1 | 0 | 0 | 0 | 107.2 | V8 A12 | V8-F10 HydrophobicContact CB-CD2 4.23Å; V8-F10 HydrophobicContact CG1-CB 3.86Å; V8-F10 HydrophobicContact CG1-CD2 3.18Å; V8-F10 HydrophobicContact CG1-CE2 3.98Å; V8-F10 HydrophobicContact CG1-CG 3.83Å; V8-F10 PolarHBondContact O-N 2.98Å; F10-A12 PolarHBondContact O-N 3.47Å |
| 11 | D | 72.7 | Confident | 65 | Low | 86 Ų | 86 | 98 Ų | 98 | 46% | 0.46 | 52% | 0.517 | S | S | . | . | trans | -63.5 | 81 | 164.6 | -165.6 | 26.5 | 0 | 0 | 0 | 107.7 | T13 S111 K113 | D11-T13 PolarHBondContact O-N 3.47Å; D11-S111 WeakPolarHBondContact OD1-CB 3.17Å; D11-S111 PolarHBondContact OD1-OG 2.85Å; D11-K113 WeakPolarHBondContact OD1-CD 3.46Å | ||
| 12 | A | 85.2 | Confident | 67.6 | Low | 44 Ų | 44 | 90 Ų | 90 | 36% | 0.364 | 48% | 0.478 | S | S | . | . | trans | -68.2 | 127.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | F10 L112 | F10-A12 PolarHBondContact O-N 3.47Å; A12-L112 HydrophobicContact CB-CD1 3.82Å; A12-L112 HydrophobicContact CB-CG 4.45Å; A12-L112 WeakPolarHBondContact O-CB 3.28Å; A12-L112 WeakPolarHBondContact O-CG 3.39Å; A12-L112 PolarHBondContact O-N 2.75Å | ||
| 13 | T | 88.9 | Confident | 70.4 | Confident | 98 Ų | 98 | 79.8 Ų | 79.8 | 60% | 0.601 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 147.9 | 175.1 | 54.6 | 0 | 0 | 0 | 0 | 109.8 | D11 V110 | D11-T13 PolarHBondContact O-N 3.47Å; T13-V110 CarbonylContact C-O 3.56Å; T13-V110 VanDerWaalsContact CA-O 3.25Å; T13-V110 WeakPolarHBondContact CA-O 3.21Å |
| 14 | V | 89.6 | Confident | 72.9 | Confident | 5 Ų | 5 | 72.9 Ų | 72.9 | 3% | 0.03 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 145.1 | 172 | 62.9 | 0 | 0 | 0 | 0 | 108.9 | L16 L19 F66 P109 V110 L112 L115 | V14-L16 PolarHBondContact O-N 3.36Å; V14-L19 HydrophobicContact CG1-CD2 4.48Å; V14-L19 HydrophobicContact CG2-CB 4.16Å; V14-F66 HydrophobicContact CB-CD1 4.16Å; V14-F66 HydrophobicContact CB-CE1 4.21Å; V14-F66 HydrophobicContact CG2-CD1 3.56Å; V14-F66 HydrophobicContact CG2-CD2 4.42Å; V14-F66 HydrophobicContact CG2-CE1 3.19Å; V14-F66 HydrophobicContact CG2-CE2 4.1Å; V14-F66 HydrophobicContact CG2-CG 4.17Å; V14-F66 HydrophobicContact CG2-CZ 3.47Å; V14-F66 VanDerWaalsContact CG2-CZ 3.47Å; V14-P109 WeakPolarHBondContact O-CA 3.16Å; V14-V110 PolarHBondContact N-O 3.03Å; V14-V110 PolarHBondContact O-N 2.96Å; V14-L112 HydrophobicContact CB-CD2 3.91Å; V14-L112 HydrophobicContact CG1-CD2 3.58Å; V14-L112 HydrophobicContact CG1-CG 4.39Å; V14-L115 HydrophobicContact CG1-CD1 3.37Å |
| 15 | D | 90.3 | Very high | 75.2 | Confident | 34 Ų | 34 | 62.2 Ų | 62.2 | 18% | 0.182 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 115.9 | 165 | -172.9 | -13.4 | 0 | 0 | 0 | 108.7 | K17 E18 L19 S107 I108 | D15-K17 PolarHBondContact O-N 3.28Å; D15-K17 VanDerWaalsContact O-N 3.11Å; D15-K17 VanDerWaalsContact OD1-CB 3.24Å; D15-K17 WeakPolarHBondContact OD1-CB 3.12Å; D15-K17 PolarHBondContact OD1-N 2.91Å; D15-E18 HydrophobicContact CB-CB 4.33Å; D15-E18 HydrophobicContact CB-CG 4.01Å; D15-E18 WeakPolarHBondContact O-CB 3.36Å; D15-E18 PolarHBondContact O-N 2.86Å; D15-L19 PolarHBondContact O-N 3.43Å; D15-L19 VanDerWaalsContact O-N 3.08Å; D15-S107 VanDerWaalsContact CG-OG 3.23Å; D15-S107 WeakPolarHBondContact OD1-CA 3.23Å; D15-S107 PolarHBondContact OD1-OG 2.87Å; D15-S107 WeakPolarHBondContact OD2-CB 3.11Å; D15-S107 PolarHBondContact OD2-OG 2.85Å; D15-I108 PolarHBondContact OD1-N 3.03Å |
| 16 | L | 86.5 | Confident | 77.4 | Confident | 56 Ų | 56 | 59.9 Ų | 59.9 | 29% | 0.293 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -53.9 | -32.8 | 178.6 | -174.6 | 61.3 | 0 | 0 | 0 | 111.9 | V14 E18 L19 V20 I108 V110 L115 | V14-L16 PolarHBondContact O-N 3.36Å; L16-E18 PolarHBondContact O-N 3.49Å; L16-L19 HydrophobicContact CD1-CD2 4.37Å; L16-L19 PolarHBondContact O-N 3.17Å; L16-V20 HydrophobicContact CD1-CG2 4.28Å; L16-V20 HydrophobicContact CG-CG2 4.32Å; L16-V20 WeakPolarHBondContact O-CB 3.39Å; L16-V20 VanDerWaalsContact O-CG2 3.23Å; L16-V20 WeakPolarHBondContact O-CG2 3.5Å; L16-V20 PolarHBondContact O-N 3.25Å; L16-I108 HydrophobicContact CB-CB 4.37Å; L16-I108 WeakPolarHBondContact CB-O 3.02Å; L16-I108 PolarHBondContact N-O 3.3Å; L16-V110 HydrophobicContact CB-CG2 4.18Å; L16-L115 HydrophobicContact CD1-CD2 4.38Å |
| 17 | K | 87.6 | Confident | 79.2 | Confident | 58 Ų | 58 | 56.6 Ų | 56.6 | 25% | 0.252 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.9 | -43.9 | 174.3 | 178.2 | 174.7 | -171.6 | 149.1 | 0 | 112.2 | D15 A21 L102 E103 L105 | D15-K17 PolarHBondContact O-N 3.28Å; D15-K17 VanDerWaalsContact O-N 3.11Å; D15-K17 VanDerWaalsContact OD1-CB 3.24Å; D15-K17 WeakPolarHBondContact OD1-CB 3.12Å; D15-K17 PolarHBondContact OD1-N 2.91Å; K17-A21 WeakPolarHBondContact O-CB 3.35Å; K17-A21 PolarHBondContact O-N 3.4Å; K17-L102 WeakPolarHBondContact CE-O 3.38Å; K17-E103 PolarHBondContact NZ-O 3.41Å; K17-L105 HydrophobicContact CB-CB 4.38Å; K17-L105 HydrophobicContact CD-CB 4.38Å; K17-L105 WeakPolarHBondContact CD-O 3.28Å; K17-L105 HydrophobicContact CG-CB 4.02Å; K17-L105 PolarHBondContact NZ-O 2.95Å |
| 18 | E | 87.6 | Confident | 80.8 | Confident | 115 Ų | 115 | 51.8 Ų | 51.8 | 54% | 0.537 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -69.7 | -41 | 178.5 | -66.8 | -174 | 168.2 | 0 | 0 | 111.5 | D15 L16 A21 L22 | D15-E18 HydrophobicContact CB-CB 4.33Å; D15-E18 HydrophobicContact CB-CG 4.01Å; D15-E18 WeakPolarHBondContact O-CB 3.36Å; D15-E18 PolarHBondContact O-N 2.86Å; L16-E18 PolarHBondContact O-N 3.49Å; E18-A21 WeakPolarHBondContact O-CB 3.41Å; E18-A21 PolarHBondContact O-N 3.37Å; E18-L22 PolarHBondContact O-N 2.94Å |
| 19 | L | 88.6 | Confident | 82.5 | Confident | 8 Ų | 8 | 46.8 Ų | 46.8 | 4% | 0.042 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.2 | -49.4 | 176 | 176.9 | 60.5 | 0 | 0 | 0 | 111.2 | V14 D15 L16 A21 L22 C23 V63 F66 I69 L115 V117 | V14-L19 HydrophobicContact CG1-CD2 4.48Å; V14-L19 HydrophobicContact CG2-CB 4.16Å; D15-L19 PolarHBondContact O-N 3.43Å; D15-L19 VanDerWaalsContact O-N 3.08Å; L16-L19 HydrophobicContact CD1-CD2 4.37Å; L16-L19 PolarHBondContact O-N 3.17Å; L19-A21 VanDerWaalsContact C-N 3.3Å; L19-A21 PolarHBondContact O-N 3.27Å; L19-L22 PolarHBondContact O-N 2.92Å; L19-L22 VanDerWaalsContact O-N 3.14Å; L19-C23 PolarHBondContact O-N 3.01Å; L19-C23 PolarHBondContact O-SG 3.24Å; L19-C23 VanDerWaalsContact O-SG 3.35Å; L19-V63 HydrophobicContact CD1-CG1 4.38Å; L19-F66 HydrophobicContact CB-CE2 4.21Å; L19-F66 HydrophobicContact CD1-CD2 3.75Å; L19-F66 HydrophobicContact CD1-CE2 3.61Å; L19-I69 HydrophobicContact CD1-CD1 3.68Å; L19-I69 HydrophobicContact CD2-CD1 3.94Å; L19-L115 HydrophobicContact CD2-CD1 3.85Å; L19-V117 HydrophobicContact CD1-CG2 4.45Å; L19-V117 HydrophobicContact CD2-CG2 4.46Å |
| 20 | V | 87.3 | Confident | 84 | Confident | 32 Ų | 32 | 41.7 Ų | 41.7 | 19% | 0.194 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.1 | -42.1 | 177.4 | 170.4 | 0 | 0 | 0 | 0 | 111 | L16 L22 C23 V24 L105 I133 | L16-V20 HydrophobicContact CD1-CG2 4.28Å; L16-V20 HydrophobicContact CG-CG2 4.32Å; L16-V20 WeakPolarHBondContact O-CB 3.39Å; L16-V20 VanDerWaalsContact O-CG2 3.23Å; L16-V20 WeakPolarHBondContact O-CG2 3.5Å; L16-V20 PolarHBondContact O-N 3.25Å; V20-L22 VanDerWaalsContact C-N 3.34Å; V20-L22 PolarHBondContact O-N 3.46Å; V20-C23 PolarHBondContact O-N 3.19Å; V20-V24 HydrophobicContact CG1-CG2 4.37Å; V20-V24 WeakPolarHBondContact O-CG2 3.23Å; V20-V24 PolarHBondContact O-N 3.49Å; V20-L105 HydrophobicContact CB-CD1 4.13Å; V20-L105 HydrophobicContact CG1-CD1 3.67Å; V20-I133 HydrophobicContact CG1-CD1 3.56Å; V20-I133 HydrophobicContact CG1-CG1 4.22Å |
| 21 | A | 85.3 | Confident | 85 | Confident | 17 Ų | 17 | 34.1 Ų | 34.1 | 14% | 0.14 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58 | -46.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | K17 E18 L19 C23 V24 M25 L102 | K17-A21 WeakPolarHBondContact O-CB 3.35Å; K17-A21 PolarHBondContact O-N 3.4Å; E18-A21 WeakPolarHBondContact O-CB 3.41Å; E18-A21 PolarHBondContact O-N 3.37Å; L19-A21 VanDerWaalsContact C-N 3.3Å; L19-A21 PolarHBondContact O-N 3.27Å; A21-C23 PolarHBondContact O-N 2.86Å; A21-V24 PolarHBondContact O-N 3.08Å; A21-M25 VanDerWaalsContact O-CB 3.3Å; A21-M25 WeakPolarHBondContact O-CB 3.38Å; A21-M25 WeakPolarHBondContact O-CG 3.26Å; A21-M25 PolarHBondContact O-N 2.8Å; A21-L102 HydrophobicContact CB-CD1 3.74Å; A21-L102 HydrophobicContact CB-CD2 4.09Å; A21-L102 HydrophobicContact CB-CG 4.43Å |
| 22 | L | 86.3 | Confident | 85.4 | Confident | 41 Ų | 41 | 33.3 Ų | 33.3 | 22% | 0.215 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.3 | -38.8 | 177.3 | -76 | 168.5 | 0 | 0 | 0 | 112.7 | E18 L19 V20 M25 G26 K65 F66 | E18-L22 PolarHBondContact O-N 2.94Å; L19-L22 PolarHBondContact O-N 2.92Å; L19-L22 VanDerWaalsContact O-N 3.14Å; V20-L22 VanDerWaalsContact C-N 3.34Å; V20-L22 PolarHBondContact O-N 3.46Å; L22-M25 PolarHBondContact O-N 3.16Å; L22-G26 PolarHBondContact O-N 3.4Å; L22-K65 HydrophobicContact CD1-CD 4.31Å; L22-K65 HydrophobicContact CD2-CD 4.19Å; L22-F66 HydrophobicContact CD1-CE2 3.42Å; L22-F66 VanDerWaalsContact CD1-CE2 3.42Å; L22-F66 HydrophobicContact CD1-CZ 3.56Å |
| 23 | C | 86.7 | Confident | 85 | Confident | 29 Ų | 29 | 31.3 Ų | 31.3 | 20% | 0.196 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.1 | -51 | 174.9 | -69.1 | 0 | 0 | 0 | 0 | 111.6 | L19 V20 A21 M25 G26 T27 | L19-C23 PolarHBondContact O-N 3.01Å; L19-C23 PolarHBondContact O-SG 3.24Å; L19-C23 VanDerWaalsContact O-SG 3.35Å; V20-C23 PolarHBondContact O-N 3.19Å; A21-C23 PolarHBondContact O-N 2.86Å; C23-M25 VanDerWaalsContact C-N 3.28Å; C23-M25 PolarHBondContact O-N 3.37Å; C23-G26 PolarHBondContact O-N 3.5Å; C23-T27 WeakPolarHBondContact O-CB 3.08Å; C23-T27 PolarHBondContact O-N 3Å; C23-T27 PolarHBondContact O-OG1 3.12Å; C23-T27 VanDerWaalsContact O-OG1 3.05Å |
| 24 | V | 83.5 | Confident | 84.5 | Confident | 11 Ų | 11 | 26.6 Ų | 26.6 | 7% | 0.067 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.9 | -44.6 | 178.2 | 170.5 | 0 | 0 | 0 | 0 | 110.6 | V20 A21 T27 L28 W131 | V20-V24 HydrophobicContact CG1-CG2 4.37Å; V20-V24 WeakPolarHBondContact O-CG2 3.23Å; V20-V24 PolarHBondContact O-N 3.49Å; A21-V24 PolarHBondContact O-N 3.08Å; V24-T27 PolarHBondContact O-N 2.91Å; V24-L28 HydrophobicContact CG1-CD1 3.62Å; V24-L28 HydrophobicContact CG1-CG 4.38Å; V24-L28 WeakPolarHBondContact O-CB 3.38Å; V24-L28 WeakPolarHBondContact O-CD1 3.48Å; V24-L28 WeakPolarHBondContact O-CG 3.26Å; V24-L28 PolarHBondContact O-N 3.06Å; V24-W131 HydrophobicContact CG1-CD2 4.11Å; V24-W131 HydrophobicContact CG1-CG 4.39Å; V24-W131 HydrophobicContact CG1-CZ2 4.35Å; V24-W131 HydrophobicContact CG2-CD2 3.99Å; V24-W131 HydrophobicContact CG2-CE3 3.71Å; V24-W131 HydrophobicContact CG2-CG 4.46Å; V24-W131 HydrophobicContact CG2-CZ3 4.08Å |
| 25 | M | 83.7 | Confident | 83.9 | Confident | 12 Ų | 12 | 29.1 Ų | 29.1 | 6% | 0.059 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.1 | -41.7 | 178.6 | -70.7 | -59.3 | -58.4 | 0 | 0 | 113 | A21 L22 C23 N29 Y91 L94 W95 | A21-M25 VanDerWaalsContact O-CB 3.3Å; A21-M25 WeakPolarHBondContact O-CB 3.38Å; A21-M25 WeakPolarHBondContact O-CG 3.26Å; A21-M25 PolarHBondContact O-N 2.8Å; L22-M25 PolarHBondContact O-N 3.16Å; C23-M25 VanDerWaalsContact C-N 3.28Å; C23-M25 PolarHBondContact O-N 3.37Å; M25-N29 WeakPolarHBondContact O-CB 3.31Å; M25-N29 PolarHBondContact O-N 2.97Å; M25-Y91 HydrophobicContact CE-CD1 4.07Å; M25-Y91 WeakPolarHBondContact CE-O 3.19Å; M25-L94 HydrophobicContact CE-CB 3.58Å; M25-L94 HydrophobicContact CE-CD2 3.49Å; M25-L94 VanDerWaalsContact CE-CD2 3.49Å; M25-L94 HydrophobicContact CE-CG 3.6Å; M25-L94 HydrophobicContact SD-CB 4.3Å; M25-L94 HydrophobicContact SD-CD2 3.98Å; M25-L94 HydrophobicContact SD-CG 3.82Å; M25-W95 HydrophobicContact CE-CB 3.86Å; M25-W95 VanDerWaalsContact CE-N 3.28Å; M25-W95 WeakPolarHBondContact SD-CA 3.28Å; M25-W95 HydrophobicContact SD-CB 3.94Å; M25-W95 PolarHBondContact SD-N 3.3Å |
| 26 | G | 84.8 | Confident | 83.2 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61 | -48.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L22 C23 N29 A30 | L22-G26 PolarHBondContact O-N 3.4Å; C23-G26 PolarHBondContact O-N 3.5Å; G26-N29 PolarHBondContact O-N 2.99Å; G26-A30 VanDerWaalsContact O-CB 3.28Å; G26-A30 WeakPolarHBondContact O-CB 3.22Å; G26-A30 PolarHBondContact O-N 2.8Å |
| 27 | T | 83.4 | Confident | 81.8 | Confident | 51 Ų | 51 | 36.4 Ų | 36.4 | 31% | 0.313 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -63.5 | -43.7 | 179.6 | -59.6 | 0 | 0 | 0 | 0 | 112.3 | C23 V24 A30 G31 T129 | C23-T27 WeakPolarHBondContact O-CB 3.08Å; C23-T27 PolarHBondContact O-N 3Å; C23-T27 PolarHBondContact O-OG1 3.12Å; C23-T27 VanDerWaalsContact O-OG1 3.05Å; V24-T27 PolarHBondContact O-N 2.91Å; T27-A30 PolarHBondContact O-N 3.39Å; T27-G31 PolarHBondContact O-N 3.21Å; T27-T129 HydrophobicContact CG2-CG2 4.29Å |
| 28 | L | 81.9 | Confident | 80.9 | Confident | 12 Ų | 12 | 36.9 Ų | 36.9 | 6% | 0.063 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.5 | -42.3 | 178 | -73.2 | 165.5 | 0 | 0 | 0 | 112.2 | V24 A30 G31 H32 L94 H98 T129 | V24-L28 HydrophobicContact CG1-CD1 3.62Å; V24-L28 HydrophobicContact CG1-CG 4.38Å; V24-L28 WeakPolarHBondContact O-CB 3.38Å; V24-L28 WeakPolarHBondContact O-CD1 3.48Å; V24-L28 WeakPolarHBondContact O-CG 3.26Å; V24-L28 PolarHBondContact O-N 3.06Å; L28-A30 VanDerWaalsContact C-N 3.35Å; L28-G31 PolarHBondContact O-N 3.03Å; L28-H32 PolarHBondContact O-CD2 2.96Å; L28-H32 PolarHBondContact O-N 3.14Å; L28-L94 HydrophobicContact CB-CD1 3.81Å; L28-L94 HydrophobicContact CB-CD2 3.37Å; L28-L94 HydrophobicContact CB-CG 3.99Å; L28-L94 HydrophobicContact CD1-CD1 3.87Å; L28-L94 HydrophobicContact CD1-CD2 4.21Å; L28-L94 HydrophobicContact CD1-CG 4.03Å; L28-L94 HydrophobicContact CG-CD1 4.3Å; L28-L94 HydrophobicContact CG-CD2 4.44Å; L28-H98 WeakPolarHBondContact CD1-CD2 3.16Å; L28-T129 HydrophobicContact CD2-CG2 3.79Å |
| 29 | N | 82.4 | Confident | 79.9 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.7 | -44.3 | 174.6 | -176.5 | 44.3 | 0 | 0 | 0 | 110.9 | M25 G26 G31 H32 I33 V58 T89 Y91 L94 | M25-N29 WeakPolarHBondContact O-CB 3.31Å; M25-N29 PolarHBondContact O-N 2.97Å; G26-N29 PolarHBondContact O-N 2.99Å; N29-G31 PolarHBondContact O-N 3.31Å; N29-H32 WeakPolarHBondContact O-CB 3.22Å; N29-H32 PolarHBondContact O-N 3.08Å; N29-I33 WeakPolarHBondContact O-CG1 3.47Å; N29-I33 PolarHBondContact O-N 3.01Å; N29-V58 HydrophobicContact CB-CG1 4.36Å; N29-V58 WeakPolarHBondContact ND2-CG1 3.42Å; N29-T89 WeakPolarHBondContact OD1-CB 3.49Å; N29-T89 PolarHBondContact OD1-N 2.9Å; N29-T89 PolarHBondContact OD1-OG1 2.84Å; N29-Y91 HydrophobicContact CB-CE1 4.29Å; N29-Y91 PolarHBondContact ND2-OH 2.77Å; N29-Y91 VanDerWaalsContact ND2-OH 3.15Å; N29-L94 HydrophobicContact CB-CD2 4.47Å |
| 30 | A | 82.7 | Confident | 79 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.008 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.9 | -43.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | G26 T27 L28 H32 I33 A34 V55 V58 I59 | G26-A30 VanDerWaalsContact O-CB 3.28Å; G26-A30 WeakPolarHBondContact O-CB 3.22Å; G26-A30 PolarHBondContact O-N 2.8Å; T27-A30 PolarHBondContact O-N 3.39Å; L28-A30 VanDerWaalsContact C-N 3.35Å; A30-H32 VanDerWaalsContact C-N 3.33Å; A30-H32 PolarHBondContact O-N 3.47Å; A30-I33 PolarHBondContact O-N 2.78Å; A30-A34 WeakPolarHBondContact O-CB 3.43Å; A30-A34 PolarHBondContact O-N 3.24Å; A30-V55 HydrophobicContact CB-CB 4.17Å; A30-V55 HydrophobicContact CB-CG1 3.72Å; A30-V55 HydrophobicContact CB-CG2 4.14Å; A30-V58 HydrophobicContact CB-CB 4.25Å; A30-V58 HydrophobicContact CB-CG1 4.08Å; A30-I59 HydrophobicContact CB-CD1 4.2Å; A30-I59 HydrophobicContact CB-CG1 3.92Å |
| 31 | G | 80.8 | Confident | 77.9 | Confident | 6 Ų | 6 | 32.9 Ų | 32.9 | 6% | 0.062 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.8 | -43 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T27 L28 N29 I33 A34 R35 | T27-G31 PolarHBondContact O-N 3.21Å; L28-G31 PolarHBondContact O-N 3.03Å; N29-G31 PolarHBondContact O-N 3.31Å; G31-I33 PolarHBondContact O-N 3.15Å; G31-A34 PolarHBondContact O-N 2.84Å; G31-R35 VanDerWaalsContact C-NH1 3.25Å; G31-R35 WeakPolarHBondContact O-CG 3.46Å; G31-R35 VanDerWaalsContact O-CZ 3.24Å; G31-R35 PolarHBondContact O-N 3.22Å; G31-R35 PolarHBondContact O-NH1 3.36Å |
| 32 | H | 79.5 | Confident | 77.1 | Confident | 68 Ų | 68 | 42.7 Ų | 42.7 | 32% | 0.315 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62 | -41.8 | 175.3 | -79 | -54.3 | 0 | 0 | 0 | 113 | L28 N29 A30 R35 R36 | L28-H32 PolarHBondContact O-CD2 2.96Å; L28-H32 PolarHBondContact O-N 3.14Å; N29-H32 WeakPolarHBondContact O-CB 3.22Å; N29-H32 PolarHBondContact O-N 3.08Å; A30-H32 VanDerWaalsContact C-N 3.33Å; A30-H32 PolarHBondContact O-N 3.47Å; H32-R35 PolarHBondContact O-N 3.04Å; H32-R36 WeakPolarHBondContact O-CG 3.31Å; H32-R36 PolarHBondContact O-N 3.07Å |
| 33 | I | 77.8 | Confident | 76.4 | Confident | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.5 | -49 | 178 | -68.9 | 170.5 | 0 | 0 | 0 | 110.5 | N29 A30 G31 R35 R36 V58 L87 | N29-I33 WeakPolarHBondContact O-CG1 3.47Å; N29-I33 PolarHBondContact O-N 3.01Å; A30-I33 PolarHBondContact O-N 2.78Å; G31-I33 PolarHBondContact O-N 3.15Å; I33-R35 PolarHBondContact O-N 3.34Å; I33-R36 PolarHBondContact O-N 3.09Å; I33-V58 HydrophobicContact CD1-CG1 4.32Å; I33-V58 HydrophobicContact CD1-CG2 3.75Å; I33-L87 HydrophobicContact CD1-CB 3.78Å; I33-L87 HydrophobicContact CG1-CB 3.91Å; I33-L87 WeakPolarHBondContact CG1-O 3.42Å; I33-L87 HydrophobicContact CG2-CB 4.21Å; I33-L87 HydrophobicContact CG2-CD1 3.87Å; I33-L87 HydrophobicContact CG2-CD2 4.38Å; I33-L87 HydrophobicContact CG2-CG 4.39Å |
| 34 | A | 78 | Confident | 75.9 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.7 | -10.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | A30 G31 Y39 I51 V55 F124 | A30-A34 WeakPolarHBondContact O-CB 3.43Å; A30-A34 PolarHBondContact O-N 3.24Å; G31-A34 PolarHBondContact O-N 2.84Å; A34-Y39 CarbonylContact C-O 3.45Å; A34-Y39 VanDerWaalsContact O-O 3.05Å; A34-I51 HydrophobicContact CB-CG2 3.61Å; A34-V55 HydrophobicContact CB-CG2 3.72Å; A34-F124 HydrophobicContact CB-CB 3.66Å; A34-F124 HydrophobicContact CB-CD1 4.25Å; A34-F124 HydrophobicContact CB-CD2 3.29Å; A34-F124 HydrophobicContact CB-CE2 3.92Å; A34-F124 HydrophobicContact CB-CG 3.46Å; A34-F124 VanDerWaalsContact CB-CG 3.46Å |
| 35 | R | 76.5 | Confident | 75.5 | Confident | 58 Ų | 58 | 48.8 Ų | 48.8 | 22% | 0.219 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -101.4 | -13.9 | 174.1 | -67.7 | -168.2 | -65 | -79.8 | 1.8 | 113.7 | G31 H32 I33 E127 | G31-R35 VanDerWaalsContact C-NH1 3.25Å; G31-R35 WeakPolarHBondContact O-CG 3.46Å; G31-R35 VanDerWaalsContact O-CZ 3.24Å; G31-R35 PolarHBondContact O-N 3.22Å; G31-R35 PolarHBondContact O-NH1 3.36Å; H32-R35 PolarHBondContact O-N 3.04Å; I33-R35 PolarHBondContact O-N 3.34Å; R35-E127 WeakPolarHBondContact CD-OE1 3.38Å; R35-E127 IonicContact CZ-OE1 3.8Å; R35-E127 IonicContact NE-OE1 2.78Å; R35-E127 PolarHBondContact NE-OE1 3.33Å; R35-E127 IonicContact NH2-OE1 2.84Å |
| 36 | R | 76.6 | Confident | 75.3 | Confident | 128 Ų | 128 | 57.1 Ų | 57.1 | 48% | 0.483 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -80 | 130.9 | 179.6 | -81.8 | -179.8 | 170.3 | -177.4 | -2.6 | 111 | H32 I33 Y39 S40 | H32-R36 WeakPolarHBondContact O-CG 3.31Å; H32-R36 PolarHBondContact O-N 3.07Å; I33-R36 PolarHBondContact O-N 3.09Å; R36-Y39 CarbonylContact O-C 3.52Å; R36-Y39 VanDerWaalsContact O-C 3.23Å; R36-Y39 VanDerWaalsContact O-CA 3.22Å; R36-Y39 WeakPolarHBondContact O-CA 3.42Å; R36-Y39 WeakPolarHBondContact O-CB 3.39Å; R36-Y39 PolarHBondContact O-N 3.44Å; R36-S40 PolarHBondContact O-N 3Å |
| 37 | T | 57.7 | Low | 75.1 | Confident | 114 Ų | 114 | 59.7 Ų | 59.7 | 70% | 0.699 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | 140.8 | 165.8 | -54.1 | 0 | 0 | 0 | 0 | 110.1 | ||
| 38 | P | 68.2 | Low | 74.8 | Confident | 69 Ų | 69 | 59.7 Ų | 59.7 | 45% | 0.448 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -82.4 | -1.9 | 1.6 | 33.9 | -35.9 | 0 | 0 | 0 | 115.5 | S40 N44 | P38-S40 PolarHBondContact O-N 2.87Å; P38-N44 PolarHBondContact O-ND2 2.93Å |
| 39 | Y | 66.2 | Low | 74.6 | Confident | 39 Ų | 39 | 63 Ų | 63 | 15% | 0.153 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -81.8 | 20.1 | -176.1 | -48.9 | -79.3 | 0 | 0 | 0 | 115.1 | A34 R36 I51 M54 E83 L87 | A34-Y39 CarbonylContact C-O 3.45Å; A34-Y39 VanDerWaalsContact O-O 3.05Å; R36-Y39 CarbonylContact O-C 3.52Å; R36-Y39 VanDerWaalsContact O-C 3.23Å; R36-Y39 VanDerWaalsContact O-CA 3.22Å; R36-Y39 WeakPolarHBondContact O-CA 3.42Å; R36-Y39 WeakPolarHBondContact O-CB 3.39Å; R36-Y39 PolarHBondContact O-N 3.44Å; Y39-I51 VanDerWaalsContact C-CD1 3.49Å; Y39-I51 WeakPolarHBondContact O-CD1 3.1Å; Y39-I51 WeakPolarHBondContact O-CG1 3.49Å; Y39-M54 HydrophobicContact CD1-CE 3.8Å; Y39-M54 HydrophobicContact CD1-SD 3.89Å; Y39-M54 HydrophobicContact CE1-CE 3.75Å; Y39-M54 HydrophobicContact CE1-SD 4.13Å; Y39-M54 HydrophobicContact CG-CE 4.46Å; Y39-E83 WeakPolarHBondContact CE1-OE1 3.3Å; Y39-E83 PolarHBondContact OH-OE1 2.96Å; Y39-L87 HydrophobicContact CD2-CD1 4.41Å; Y39-L87 HydrophobicContact CD2-CD2 3.82Å; Y39-L87 HydrophobicContact CE2-CD1 4.1Å; Y39-L87 HydrophobicContact CE2-CD2 3.54Å; Y39-L87 HydrophobicContact CE2-CG 4.36Å |
| 40 | S | 68.8 | Low | 74.5 | Confident | 14 Ų | 14 | 65.9 Ų | 65.9 | 10% | 0.098 | 34% | 0.339 | C | S | . | . | trans | -86.3 | 120.7 | 175 | 158.8 | 0 | 0 | 0 | 0 | 109.1 | R36 P38 R42 A43 N44 | R36-S40 PolarHBondContact O-N 3Å; P38-S40 PolarHBondContact O-N 2.87Å; S40-R42 PolarHBondContact O-N 3.14Å; S40-R42 WeakPolarHBondContact OG-CB 3.28Å; S40-R42 PolarHBondContact OG-N 3.31Å; S40-A43 PolarHBondContact O-N 3.05Å; S40-A43 PolarHBondContact OG-N 3.2Å; S40-A43 VanDerWaalsContact OG-N 3.13Å; S40-N44 PolarHBondContact O-N 2.87Å | ||
| 41 | V | 65.7 | Low | 74.3 | Confident | 17 Ų | 17 | 65.9 Ų | 65.9 | 10% | 0.103 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -27.3 | 171.3 | 168.9 | 0 | 0 | 0 | 0 | 111.4 | A43 N44 P45 S48 I51 F124 L125 | V41-A43 VanDerWaalsContact C-N 3.28Å; V41-A43 PolarHBondContact O-N 3.1Å; V41-N44 CarbonylContact O-C 3.57Å; V41-N44 PolarHBondContact O-N 3.23Å; V41-P45 VanDerWaalsContact O-CA 3.28Å; V41-P45 WeakPolarHBondContact O-CA 3.46Å; V41-P45 WeakPolarHBondContact O-CD 3.11Å; V41-P45 WeakPolarHBondContact O-CG 3.45Å; V41-P45 VanDerWaalsContact O-N 3.08Å; V41-S48 VanDerWaalsContact CG2-CA 3.42Å; V41-I51 HydrophobicContact CB-CD1 4.48Å; V41-I51 HydrophobicContact CG2-CB 4.48Å; V41-I51 HydrophobicContact CG2-CD1 3.48Å; V41-I51 VanDerWaalsContact CG2-CD1 3.48Å; V41-F124 HydrophobicContact CB-CE2 3.84Å; V41-F124 HydrophobicContact CB-CZ 4.26Å; V41-F124 HydrophobicContact CG2-CE2 3.32Å; V41-F124 HydrophobicContact CG2-CZ 3.31Å; V41-L125 HydrophobicContact CB-CD1 3.96Å; V41-L125 HydrophobicContact CB-CD2 3.82Å; V41-L125 HydrophobicContact CB-CG 4.1Å; V41-L125 HydrophobicContact CG1-CD1 3.73Å; V41-L125 HydrophobicContact CG1-CG 4.38Å |
| 42 | R | 68.8 | Low | 74.2 | Confident | 223 Ų | 223 | 66 Ų | 66 | 84% | 0.842 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -34.6 | 174.5 | -173.5 | 179.4 | -179.6 | -179.3 | 1.3 | 111.7 | S40 L125 | S40-R42 PolarHBondContact O-N 3.14Å; S40-R42 WeakPolarHBondContact OG-CB 3.28Å; S40-R42 PolarHBondContact OG-N 3.31Å; R42-L125 HydrophobicContact CB-CD2 4.21Å |
| 43 | A | 70.6 | Confident | 74.2 | Confident | 54 Ų | 54 | 66.8 Ų | 66.8 | 45% | 0.446 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -37.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S40 V41 | S40-A43 PolarHBondContact O-N 3.05Å; S40-A43 PolarHBondContact OG-N 3.2Å; S40-A43 VanDerWaalsContact OG-N 3.13Å; V41-A43 VanDerWaalsContact C-N 3.28Å; V41-A43 PolarHBondContact O-N 3.1Å |
| 44 | N | 75.9 | Confident | 74.4 | Confident | 66 Ų | 66 | 66.8 Ų | 66.8 | 35% | 0.353 | 34% | 0.341 | S | S | . | . | trans | -136.4 | 82.6 | -176.3 | -66 | -51.7 | 0 | 0 | 0 | 110.5 | P38 S40 V41 E46 L47 | P38-N44 PolarHBondContact O-ND2 2.93Å; S40-N44 PolarHBondContact O-N 2.87Å; V41-N44 CarbonylContact O-C 3.57Å; V41-N44 PolarHBondContact O-N 3.23Å; N44-E46 PolarHBondContact O-N 3.11Å; N44-E46 VanDerWaalsContact O-N 3.15Å; N44-L47 HydrophobicContact CB-CB 4.21Å; N44-L47 HydrophobicContact CB-CD1 3.62Å; N44-L47 HydrophobicContact CB-CG 3.8Å; N44-L47 WeakPolarHBondContact O-CB 3.46Å; N44-L47 PolarHBondContact O-N 2.9Å | ||
| 45 | P | 75.6 | Confident | 74.6 | Confident | 90 Ų | 90 | 67.2 Ų | 67.2 | 58% | 0.584 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -56 | -32.9 | -178.2 | -27.7 | 35.4 | 0 | 0 | 0 | 113.8 | V41 L47 S48 | V41-P45 VanDerWaalsContact O-CA 3.28Å; V41-P45 WeakPolarHBondContact O-CA 3.46Å; V41-P45 WeakPolarHBondContact O-CD 3.11Å; V41-P45 WeakPolarHBondContact O-CG 3.45Å; V41-P45 VanDerWaalsContact O-N 3.08Å; P45-L47 PolarHBondContact O-N 3.16Å; P45-S48 VanDerWaalsContact O-CB 3.27Å; P45-S48 WeakPolarHBondContact O-CB 3.13Å; P45-S48 PolarHBondContact O-N 3.24Å; P45-S48 VanDerWaalsContact O-N 3.09Å |
| 46 | E | 80.3 | Confident | 74.9 | Confident | 186 Ų | 186 | 64.6 Ų | 64.6 | 87% | 0.869 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -62.6 | -23.7 | 178.1 | -59.2 | -177.4 | 177 | 0 | 0 | 113.3 | N44 S48 | N44-E46 PolarHBondContact O-N 3.11Å; N44-E46 VanDerWaalsContact O-N 3.15Å; E46-S48 VanDerWaalsContact C-N 3.26Å; E46-S48 PolarHBondContact O-N 2.85Å |
| 47 | L | 79.1 | Confident | 75.2 | Confident | 55 Ų | 55 | 60.9 Ų | 60.9 | 29% | 0.288 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -80.5 | -2.5 | 177.2 | -66.1 | -179.1 | 0 | 0 | 0 | 113.3 | N44 P45 K50 I51 | N44-L47 HydrophobicContact CB-CB 4.21Å; N44-L47 HydrophobicContact CB-CD1 3.62Å; N44-L47 HydrophobicContact CB-CG 3.8Å; N44-L47 WeakPolarHBondContact O-CB 3.46Å; N44-L47 PolarHBondContact O-N 2.9Å; P45-L47 PolarHBondContact O-N 3.16Å; L47-K50 HydrophobicContact CD2-CD 4.48Å; L47-K50 PolarHBondContact O-N 2.8Å; L47-I51 HydrophobicContact CB-CD1 3.56Å; L47-I51 HydrophobicContact CB-CG1 4.12Å; L47-I51 WeakPolarHBondContact O-CD1 3.34Å; L47-I51 WeakPolarHBondContact O-CG1 3.41Å; L47-I51 PolarHBondContact O-N 3.45Å |
| 48 | S | 76.9 | Confident | 76.4 | Confident | 51 Ų | 51 | 55.9 Ų | 55.9 | 36% | 0.357 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -51.7 | -45.6 | -175.8 | 177.4 | 0 | 0 | 0 | 0 | 114.3 | V41 P45 E46 K50 I51 G52 | V41-S48 VanDerWaalsContact CG2-CA 3.42Å; P45-S48 VanDerWaalsContact O-CB 3.27Å; P45-S48 WeakPolarHBondContact O-CB 3.13Å; P45-S48 PolarHBondContact O-N 3.24Å; P45-S48 VanDerWaalsContact O-N 3.09Å; E46-S48 VanDerWaalsContact C-N 3.26Å; E46-S48 PolarHBondContact O-N 2.85Å; S48-K50 PolarHBondContact O-N 3.27Å; S48-I51 PolarHBondContact O-N 3.46Å; S48-G52 PolarHBondContact O-N 2.98Å |
| 49 | P | 78.7 | Confident | 77.1 | Confident | 81 Ų | 81 | 53.3 Ų | 53.3 | 53% | 0.526 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.1 | -40.2 | 175.7 | -22.6 | 34.8 | 0 | 0 | 0 | 113.4 | G52 R53 | P49-G52 PolarHBondContact O-N 3.31Å; P49-R53 PolarHBondContact O-N 3.01Å; P49-R53 VanDerWaalsContact O-N 3.14Å |
| 50 | K | 79.1 | Confident | 78.1 | Confident | 61 Ų | 61 | 51.6 Ų | 51.6 | 27% | 0.265 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.5 | -50 | 177.3 | -174.2 | -178.3 | 178.3 | -176.3 | 0 | 110.3 | L47 S48 G52 R53 M54 E79 E83 | L47-K50 HydrophobicContact CD2-CD 4.48Å; L47-K50 PolarHBondContact O-N 2.8Å; S48-K50 PolarHBondContact O-N 3.27Å; K50-G52 VanDerWaalsContact C-N 3.26Å; K50-G52 PolarHBondContact O-N 2.82Å; K50-R53 PolarHBondContact O-N 3.47Å; K50-R53 VanDerWaalsContact O-N 3.12Å; K50-M54 HydrophobicContact CD-SD 4.43Å; K50-M54 HydrophobicContact CG-CG 4.46Å; K50-M54 HydrophobicContact CG-SD 4.09Å; K50-M54 WeakPolarHBondContact O-CG 3.23Å; K50-M54 PolarHBondContact O-N 3.2Å; K50-E79 VanDerWaalsContact O-OE1 3.13Å; K50-E83 VanDerWaalsContact NZ-CD 3.28Å; K50-E83 IonicContact NZ-OE1 2.72Å; K50-E83 PolarHBondContact NZ-OE1 3.39Å; K50-E83 IonicContact NZ-OE2 2.98Å; K50-E83 PolarHBondContact NZ-OE2 2.91Å |
| 51 | I | 78.6 | Confident | 78.8 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.7 | -36.8 | -179.7 | -62.5 | 156.1 | 0 | 0 | 0 | 110.8 | A34 Y39 V41 L47 S48 M54 V55 F124 | A34-I51 HydrophobicContact CB-CG2 3.61Å; Y39-I51 VanDerWaalsContact C-CD1 3.49Å; Y39-I51 WeakPolarHBondContact O-CD1 3.1Å; Y39-I51 WeakPolarHBondContact O-CG1 3.49Å; V41-I51 HydrophobicContact CB-CD1 4.48Å; V41-I51 HydrophobicContact CG2-CB 4.48Å; V41-I51 HydrophobicContact CG2-CD1 3.48Å; V41-I51 VanDerWaalsContact CG2-CD1 3.48Å; L47-I51 HydrophobicContact CB-CD1 3.56Å; L47-I51 HydrophobicContact CB-CG1 4.12Å; L47-I51 WeakPolarHBondContact O-CD1 3.34Å; L47-I51 WeakPolarHBondContact O-CG1 3.41Å; L47-I51 PolarHBondContact O-N 3.45Å; S48-I51 PolarHBondContact O-N 3.46Å; I51-M54 PolarHBondContact O-N 2.91Å; I51-V55 HydrophobicContact CG2-CG2 4.27Å; I51-V55 WeakPolarHBondContact O-CB 3.4Å; I51-V55 VanDerWaalsContact O-CG2 3.29Å; I51-V55 WeakPolarHBondContact O-CG2 3.48Å; I51-V55 PolarHBondContact O-N 2.74Å; I51-F124 HydrophobicContact CB-CE1 4.29Å; I51-F124 HydrophobicContact CB-CE2 4.23Å; I51-F124 HydrophobicContact CB-CZ 3.67Å; I51-F124 HydrophobicContact CG2-CD1 4.38Å; I51-F124 HydrophobicContact CG2-CD2 4.15Å; I51-F124 HydrophobicContact CG2-CE1 3.78Å; I51-F124 HydrophobicContact CG2-CE2 3.47Å; I51-F124 VanDerWaalsContact CG2-CE2 3.47Å; I51-F124 HydrophobicContact CG2-CZ 3.25Å |
| 52 | G | 80.2 | Confident | 79.6 | Confident | 9 Ų | 9 | 54.3 Ų | 54.3 | 9% | 0.093 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58 | -47.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112.9 | S48 P49 K50 V55 G56 P121 | S48-G52 PolarHBondContact O-N 2.98Å; P49-G52 PolarHBondContact O-N 3.31Å; K50-G52 VanDerWaalsContact C-N 3.26Å; K50-G52 PolarHBondContact O-N 2.82Å; G52-V55 PolarHBondContact O-N 3Å; G52-G56 PolarHBondContact O-N 3.41Å; G52-P121 WeakPolarHBondContact O-CB 3.37Å; G52-P121 WeakPolarHBondContact O-CG 3.3Å |
| 53 | R | 79.9 | Confident | 80.4 | Confident | 85 Ų | 85 | 43.7 Ų | 43.7 | 32% | 0.321 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.9 | -43.6 | 175.3 | -73 | -173.1 | -60.9 | -100.4 | 7.1 | 112.3 | P49 K50 V55 G56 R57 E79 | P49-R53 PolarHBondContact O-N 3.01Å; P49-R53 VanDerWaalsContact O-N 3.14Å; K50-R53 PolarHBondContact O-N 3.47Å; K50-R53 VanDerWaalsContact O-N 3.12Å; R53-V55 PolarHBondContact O-N 2.95Å; R53-G56 PolarHBondContact O-N 2.85Å; R53-R57 WeakPolarHBondContact O-CB 3.13Å; R53-R57 PolarHBondContact O-N 2.64Å; R53-E79 HydrophobicContact CB-CG 4.46Å; R53-E79 VanDerWaalsContact CB-OE1 3.25Å; R53-E79 WeakPolarHBondContact CB-OE1 3.17Å; R53-E79 IonicContact NE-OE1 3.46Å; R53-E79 PolarHBondContact NE-OE1 3.07Å |
| 54 | M | 80.2 | Confident | 81.1 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.9 | -46.6 | 177 | -66.5 | 173.4 | 73 | 0 | 0 | 111.5 | Y39 K50 I51 R57 V58 E79 E83 L84 L87 | Y39-M54 HydrophobicContact CD1-CE 3.8Å; Y39-M54 HydrophobicContact CD1-SD 3.89Å; Y39-M54 HydrophobicContact CE1-CE 3.75Å; Y39-M54 HydrophobicContact CE1-SD 4.13Å; Y39-M54 HydrophobicContact CG-CE 4.46Å; K50-M54 HydrophobicContact CD-SD 4.43Å; K50-M54 HydrophobicContact CG-CG 4.46Å; K50-M54 HydrophobicContact CG-SD 4.09Å; K50-M54 WeakPolarHBondContact O-CG 3.23Å; K50-M54 PolarHBondContact O-N 3.2Å; I51-M54 PolarHBondContact O-N 2.91Å; M54-R57 PolarHBondContact O-N 3.49Å; M54-V58 VanDerWaalsContact O-CG2 3.3Å; M54-V58 WeakPolarHBondContact O-CG2 3.48Å; M54-V58 PolarHBondContact O-N 3.39Å; M54-E79 WeakPolarHBondContact CA-OE2 3.47Å; M54-E79 WeakPolarHBondContact CG-OE1 3.29Å; M54-E79 WeakPolarHBondContact CG-OE2 3.41Å; M54-E79 PolarHBondContact N-OE2 2.89Å; M54-E83 HydrophobicContact CE-CG 4.33Å; M54-L84 HydrophobicContact CB-CD2 4Å; M54-L84 HydrophobicContact CE-CD2 4.2Å; M54-L84 HydrophobicContact CG-CD2 4.25Å; M54-L87 HydrophobicContact CE-CD1 3.12Å |
| 55 | V | 82.1 | Confident | 81.5 | Confident | 9 Ų | 9 | 49.5 Ų | 49.5 | 6% | 0.055 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.1 | -49.7 | 177.1 | 162.6 | 0 | 0 | 0 | 0 | 111 | A30 A34 I51 G52 R53 R57 V58 I59 P121 F124 | A30-V55 HydrophobicContact CB-CB 4.17Å; A30-V55 HydrophobicContact CB-CG1 3.72Å; A30-V55 HydrophobicContact CB-CG2 4.14Å; A34-V55 HydrophobicContact CB-CG2 3.72Å; I51-V55 HydrophobicContact CG2-CG2 4.27Å; I51-V55 WeakPolarHBondContact O-CB 3.4Å; I51-V55 VanDerWaalsContact O-CG2 3.29Å; I51-V55 WeakPolarHBondContact O-CG2 3.48Å; I51-V55 PolarHBondContact O-N 2.74Å; G52-V55 PolarHBondContact O-N 3Å; R53-V55 PolarHBondContact O-N 2.95Å; V55-R57 PolarHBondContact O-N 2.88Å; V55-V58 PolarHBondContact O-N 3.23Å; V55-I59 HydrophobicContact CG1-CD1 3.96Å; V55-I59 WeakPolarHBondContact O-CG1 3.48Å; V55-I59 PolarHBondContact O-N 3.18Å; V55-I59 VanDerWaalsContact O-N 3.12Å; V55-P121 HydrophobicContact CB-CB 4.01Å; V55-P121 HydrophobicContact CG1-CB 3.68Å; V55-F124 HydrophobicContact CG2-CD1 4.38Å |
| 56 | G | 83.9 | Confident | 81.9 | Confident | 4 Ų | 4 | 46.7 Ų | 46.7 | 4% | 0.041 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.2 | -42.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | G52 R53 I59 S60 | G52-G56 PolarHBondContact O-N 3.41Å; R53-G56 PolarHBondContact O-N 2.85Å; G56-I59 PolarHBondContact O-N 2.99Å; G56-S60 VanDerWaalsContact O-CB 3.24Å; G56-S60 WeakPolarHBondContact O-CB 3.45Å; G56-S60 PolarHBondContact O-N 3.43Å |
| 57 | R | 82.2 | Confident | 82 | Confident | 49 Ų | 49 | 43.1 Ų | 43.1 | 19% | 0.185 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69.3 | -38.6 | 179.2 | -170.3 | 158.5 | 173.1 | 158.2 | -11.6 | 114 | R53 M54 V55 I59 S60 F61 E79 N81 L84 | R53-R57 WeakPolarHBondContact O-CB 3.13Å; R53-R57 PolarHBondContact O-N 2.64Å; M54-R57 PolarHBondContact O-N 3.49Å; V55-R57 PolarHBondContact O-N 2.88Å; R57-I59 VanDerWaalsContact C-N 3.33Å; R57-S60 PolarHBondContact O-N 3.25Å; R57-F61 VanDerWaalsContact O-CB 3.29Å; R57-F61 WeakPolarHBondContact O-CB 3.27Å; R57-F61 PolarHBondContact O-N 3.49Å; R57-E79 PolarHBondContact NH1-O 3.38Å; R57-E79 PolarHBondContact NH2-O 3.48Å; R57-N81 PolarHBondContact NH2-OD1 3Å; R57-L84 HydrophobicContact CB-CD1 3.97Å; R57-L84 VanDerWaalsContact CD-CD1 3.45Å; R57-L84 HydrophobicContact CG-CD1 3.48Å; R57-L84 VanDerWaalsContact CG-CD1 3.48Å |
| 58 | V | 83.5 | Confident | 82.1 | Confident | 10 Ų | 10 | 43.8 Ų | 43.8 | 6% | 0.061 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.1 | -44.2 | 175 | 169.5 | 0 | 0 | 0 | 0 | 110.9 | N29 A30 I33 M54 V55 A62 L84 | N29-V58 HydrophobicContact CB-CG1 4.36Å; N29-V58 WeakPolarHBondContact ND2-CG1 3.42Å; A30-V58 HydrophobicContact CB-CB 4.25Å; A30-V58 HydrophobicContact CB-CG1 4.08Å; I33-V58 HydrophobicContact CD1-CG1 4.32Å; I33-V58 HydrophobicContact CD1-CG2 3.75Å; M54-V58 VanDerWaalsContact O-CG2 3.3Å; M54-V58 WeakPolarHBondContact O-CG2 3.48Å; M54-V58 PolarHBondContact O-N 3.39Å; V55-V58 PolarHBondContact O-N 3.23Å; V58-A62 PolarHBondContact O-N 3.2Å; V58-L84 HydrophobicContact CG2-CD2 3.91Å |
| 59 | I | 83.8 | Confident | 82.6 | Confident | 14 Ų | 14 | 42.2 Ų | 42.2 | 7% | 0.072 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.1 | -47.8 | 177.5 | -59.2 | 168.3 | 0 | 0 | 0 | 109.6 | A30 V55 G56 R57 F61 A62 V63 I119 | A30-I59 HydrophobicContact CB-CD1 4.2Å; A30-I59 HydrophobicContact CB-CG1 3.92Å; V55-I59 HydrophobicContact CG1-CD1 3.96Å; V55-I59 WeakPolarHBondContact O-CG1 3.48Å; V55-I59 PolarHBondContact O-N 3.18Å; V55-I59 VanDerWaalsContact O-N 3.12Å; G56-I59 PolarHBondContact O-N 2.99Å; R57-I59 VanDerWaalsContact C-N 3.33Å; I59-F61 VanDerWaalsContact C-N 3.3Å; I59-F61 PolarHBondContact O-N 3.02Å; I59-A62 WeakPolarHBondContact O-CB 3.12Å; I59-A62 PolarHBondContact O-N 3.22Å; I59-A62 VanDerWaalsContact O-N 3.09Å; I59-V63 WeakPolarHBondContact O-CG2 3.47Å; I59-V63 PolarHBondContact O-N 3.13Å; I59-I119 HydrophobicContact CB-CD1 4.23Å; I59-I119 HydrophobicContact CB-CG2 3.94Å; I59-I119 HydrophobicContact CD1-CG2 4.06Å; I59-I119 HydrophobicContact CG2-CD1 3.72Å; I59-I119 HydrophobicContact CG2-CG1 3.89Å; I59-I119 HydrophobicContact CG2-CG2 3.9Å |
| 60 | S | 85.4 | Confident | 83.1 | Confident | 4 Ų | 4 | 42.4 Ų | 42.4 | 3% | 0.028 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.7 | -43.3 | 178.1 | -177.6 | 0 | 0 | 0 | 0 | 111.8 | G56 R57 A62 V63 Q64 Q73 | G56-S60 VanDerWaalsContact O-CB 3.24Å; G56-S60 WeakPolarHBondContact O-CB 3.45Å; G56-S60 PolarHBondContact O-N 3.43Å; R57-S60 PolarHBondContact O-N 3.25Å; S60-A62 VanDerWaalsContact C-N 3.33Å; S60-A62 PolarHBondContact O-N 3.26Å; S60-V63 PolarHBondContact O-N 2.99Å; S60-Q64 WeakPolarHBondContact O-CB 3.36Å; S60-Q64 VanDerWaalsContact O-CG 3.23Å; S60-Q64 WeakPolarHBondContact O-CG 3.19Å; S60-Q64 PolarHBondContact O-N 3.25Å; S60-Q64 PolarHBondContact OG-NE2 3.26Å; S60-Q73 PolarHBondContact OG-NE2 3.4Å |
| 61 | F | 84.1 | Confident | 83.4 | Confident | 82 Ų | 82 | 41.6 Ų | 41.6 | 36% | 0.36 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64.4 | -35.9 | 178.5 | -175.4 | -96.4 | 0 | 0 | 0 | 112.7 | R57 I59 V63 | R57-F61 VanDerWaalsContact O-CB 3.29Å; R57-F61 WeakPolarHBondContact O-CB 3.27Å; R57-F61 PolarHBondContact O-N 3.49Å; I59-F61 VanDerWaalsContact C-N 3.3Å; I59-F61 PolarHBondContact O-N 3.02Å; F61-V63 VanDerWaalsContact C-N 3.28Å; F61-V63 PolarHBondContact O-N 3.19Å |
| 62 | A | 83.3 | Confident | 83.7 | Confident | 5 Ų | 5 | 43.2 Ų | 43.2 | 4% | 0.041 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.6 | -37.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V58 I59 S60 | V58-A62 PolarHBondContact O-N 3.2Å; I59-A62 WeakPolarHBondContact O-CB 3.12Å; I59-A62 PolarHBondContact O-N 3.22Å; I59-A62 VanDerWaalsContact O-N 3.09Å; S60-A62 VanDerWaalsContact C-N 3.33Å; S60-A62 PolarHBondContact O-N 3.26Å |
| 63 | V | 84.7 | Confident | 83.8 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -81 | -37.6 | -177.8 | 178.3 | 0 | 0 | 0 | 0 | 112.2 | L19 I59 S60 F61 K65 F66 I69 I71 V117 | L19-V63 HydrophobicContact CD1-CG1 4.38Å; I59-V63 WeakPolarHBondContact O-CG2 3.47Å; I59-V63 PolarHBondContact O-N 3.13Å; S60-V63 PolarHBondContact O-N 2.99Å; F61-V63 VanDerWaalsContact C-N 3.28Å; F61-V63 PolarHBondContact O-N 3.19Å; V63-K65 PolarHBondContact O-N 3.37Å; V63-F66 WeakPolarHBondContact O-CD2 3.46Å; V63-F66 PolarHBondContact O-N 2.79Å; V63-F66 VanDerWaalsContact O-N 3.15Å; V63-I69 HydrophobicContact CG1-CD1 3.7Å; V63-I69 HydrophobicContact CG1-CG1 4.23Å; V63-I69 HydrophobicContact CG1-CG2 3.9Å; V63-I71 HydrophobicContact CB-CD1 4.25Å; V63-I71 HydrophobicContact CG1-CD1 3.99Å; V63-I71 HydrophobicContact CG1-CG1 4.16Å; V63-V117 HydrophobicContact CG1-CB 3.96Å; V63-V117 HydrophobicContact CG1-CG1 4.13Å; V63-V117 HydrophobicContact CG1-CG2 3.74Å; V63-V117 HydrophobicContact CG2-CG1 4.05Å |
| 64 | Q | 85.9 | Confident | 83.7 | Confident | 114 Ų | 114 | 46.7 Ų | 46.7 | 53% | 0.533 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -4.5 | 178.9 | -79.3 | 175.1 | -12.5 | 0 | 0 | 114.7 | S60 F66 I71 | S60-Q64 WeakPolarHBondContact O-CB 3.36Å; S60-Q64 VanDerWaalsContact O-CG 3.23Å; S60-Q64 WeakPolarHBondContact O-CG 3.19Å; S60-Q64 PolarHBondContact O-N 3.25Å; S60-Q64 PolarHBondContact OG-NE2 3.26Å; Q64-F66 PolarHBondContact O-N 2.86Å; Q64-I71 HydrophobicContact CG-CD1 3.69Å |
| 65 | K | 83.2 | Confident | 83 | Confident | 128 Ų | 128 | 57 Ų | 57 | 56% | 0.557 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -19.1 | 168.3 | -68 | -173.7 | 177.6 | -175.6 | 0 | 113.1 | L22 V63 P67 | L22-K65 HydrophobicContact CD1-CD 4.31Å; L22-K65 HydrophobicContact CD2-CD 4.19Å; V63-K65 PolarHBondContact O-N 3.37Å; K65-P67 WeakPolarHBondContact O-CD 3.15Å |
| 66 | F | 85.8 | Confident | 82 | Confident | 31 Ų | 31 | 57.2 Ų | 57.2 | 14% | 0.136 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -99.8 | 104.8 | 173.3 | -57 | -71.4 | 0 | 0 | 0 | 110.6 | V14 L19 L22 V63 Q64 G68 I69 L112 | V14-F66 HydrophobicContact CB-CD1 4.16Å; V14-F66 HydrophobicContact CB-CE1 4.21Å; V14-F66 HydrophobicContact CG2-CD1 3.56Å; V14-F66 HydrophobicContact CG2-CD2 4.42Å; V14-F66 HydrophobicContact CG2-CE1 3.19Å; V14-F66 HydrophobicContact CG2-CE2 4.1Å; V14-F66 HydrophobicContact CG2-CG 4.17Å; V14-F66 HydrophobicContact CG2-CZ 3.47Å; V14-F66 VanDerWaalsContact CG2-CZ 3.47Å; L19-F66 HydrophobicContact CB-CE2 4.21Å; L19-F66 HydrophobicContact CD1-CD2 3.75Å; L19-F66 HydrophobicContact CD1-CE2 3.61Å; L22-F66 HydrophobicContact CD1-CE2 3.42Å; L22-F66 VanDerWaalsContact CD1-CE2 3.42Å; L22-F66 HydrophobicContact CD1-CZ 3.56Å; V63-F66 WeakPolarHBondContact O-CD2 3.46Å; V63-F66 PolarHBondContact O-N 2.79Å; V63-F66 VanDerWaalsContact O-N 3.15Å; Q64-F66 PolarHBondContact O-N 2.86Å; F66-G68 PolarHBondContact O-N 2.9Å; F66-I69 HydrophobicContact CB-CB 4.28Å; F66-I69 HydrophobicContact CB-CD1 4.45Å; F66-I69 HydrophobicContact CB-CG2 4.38Å; F66-I69 HydrophobicContact CD2-CD1 4.43Å; F66-I69 VanDerWaalsContact O-CG2 3.23Å; F66-I69 WeakPolarHBondContact O-CG2 3.48Å; F66-I69 PolarHBondContact O-N 3.01Å; F66-L112 HydrophobicContact CB-CD1 4.08Å; F66-L112 HydrophobicContact CB-CD2 3.89Å; F66-L112 HydrophobicContact CG-CD2 4.43Å |
| 67 | P | 80.7 | Confident | 80.6 | Confident | 111 Ų | 111 | 63.4 Ų | 63.4 | 72% | 0.721 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 126.2 | -179.5 | -22 | 33.6 | 0 | 0 | 0 | 111.5 | K65 L112 | K65-P67 WeakPolarHBondContact O-CD 3.15Å; P67-L112 VanDerWaalsContact O-CD1 3.25Å; P67-L112 WeakPolarHBondContact O-CD1 3.31Å |
| 68 | G | 83.1 | Confident | 79.4 | Confident | 69 Ų | 69 | 69.1 Ų | 69.1 | 71% | 0.711 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.9 | -2.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | F66 K70 | F66-G68 PolarHBondContact O-N 2.9Å; G68-K70 PolarHBondContact O-N 3.4Å |
| 69 | I | 87 | Confident | 78.4 | Confident | 18 Ų | 18 | 69.6 Ų | 69.6 | 9% | 0.092 | 35% | 0.35 | C | S | . | . | trans | -60.8 | 130.1 | 172.9 | -165.1 | 156.4 | 0 | 0 | 0 | 110.8 | L19 V63 F66 I71 L112 V117 | L19-I69 HydrophobicContact CD1-CD1 3.68Å; L19-I69 HydrophobicContact CD2-CD1 3.94Å; V63-I69 HydrophobicContact CG1-CD1 3.7Å; V63-I69 HydrophobicContact CG1-CG1 4.23Å; V63-I69 HydrophobicContact CG1-CG2 3.9Å; F66-I69 HydrophobicContact CB-CB 4.28Å; F66-I69 HydrophobicContact CB-CD1 4.45Å; F66-I69 HydrophobicContact CB-CG2 4.38Å; F66-I69 HydrophobicContact CD2-CD1 4.43Å; F66-I69 VanDerWaalsContact O-CG2 3.23Å; F66-I69 WeakPolarHBondContact O-CG2 3.48Å; F66-I69 PolarHBondContact O-N 3.01Å; I69-I71 HydrophobicContact CG2-CD1 4.37Å; I69-I71 HydrophobicContact CG2-CG1 4.25Å; I69-L112 HydrophobicContact CB-CD2 4.31Å; I69-L112 HydrophobicContact CD1-CD2 4.28Å; I69-L112 HydrophobicContact CG1-CD2 4.48Å; I69-V117 HydrophobicContact CD1-CG2 3.68Å; I69-V117 HydrophobicContact CG1-CG2 4.1Å | ||
| 70 | K | 88.1 | Confident | 77.4 | Confident | 85 Ų | 85 | 76 Ų | 76 | 37% | 0.37 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 126.5 | 176.3 | -63.8 | 178 | 178.7 | 179.1 | 0 | 109 | G68 S116 V117 T248 E249 | G68-K70 PolarHBondContact O-N 3.4Å; K70-S116 CarbonylContact O-C 3.56Å; K70-S116 WeakPolarHBondContact O-CA 3.35Å; K70-V117 PolarHBondContact O-N 2.95Å; K70-T248 HydrophobicContact CD-CG2 4.47Å; K70-E249 IonicContact NZ-OE1 3.84Å |
| 71 | I | 86.6 | Confident | 76.4 | Confident | 45 Ų | 45 | 80 Ų | 80 | 23% | 0.231 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 128.5 | 176.3 | -61.6 | 177.3 | 0 | 0 | 0 | 108.9 | V63 Q64 I69 Q73 V117 I119 | V63-I71 HydrophobicContact CB-CD1 4.25Å; V63-I71 HydrophobicContact CG1-CD1 3.99Å; V63-I71 HydrophobicContact CG1-CG1 4.16Å; Q64-I71 HydrophobicContact CG-CD1 3.69Å; I69-I71 HydrophobicContact CG2-CD1 4.37Å; I69-I71 HydrophobicContact CG2-CG1 4.25Å; I71-Q73 HydrophobicContact CG2-CB 4.4Å; I71-Q73 HydrophobicContact CG2-CG 3.99Å; I71-V117 WeakPolarHBondContact CA-O 3.36Å; I71-I119 HydrophobicContact CG2-CD1 3.79Å; I71-I119 HydrophobicContact CG2-CG1 4.37Å |
| 72 | V | 85.2 | Confident | 75.5 | Confident | 35 Ų | 35 | 79.4 Ų | 79.4 | 21% | 0.212 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 114.2 | 174.8 | -174.5 | 0 | 0 | 0 | 0 | 108.5 | V117 W118 I119 T248 | V72-V117 PolarHBondContact N-O 3.14Å; V72-W118 HydrophobicContact CB-CD2 3.7Å; V72-W118 HydrophobicContact CB-CE3 3.86Å; V72-W118 HydrophobicContact CB-CG 4.07Å; V72-W118 HydrophobicContact CB-CZ2 4.4Å; V72-W118 HydrophobicContact CB-CZ3 4.3Å; V72-W118 HydrophobicContact CG1-CD2 3.87Å; V72-W118 HydrophobicContact CG1-CE3 3.51Å; V72-W118 HydrophobicContact CG1-CH2 3.89Å; V72-W118 HydrophobicContact CG1-CZ2 4.2Å; V72-W118 HydrophobicContact CG1-CZ3 3.53Å; V72-W118 HydrophobicContact CG2-CD2 4.17Å; V72-W118 HydrophobicContact CG2-CZ2 4.16Å; V72-W118 CarbonylContact O-C 3.58Å; V72-W118 VanDerWaalsContact O-CA 3.32Å; V72-W118 WeakPolarHBondContact O-CA 3.47Å; V72-I119 PolarHBondContact O-N 3.33Å; V72-T248 HydrophobicContact CG2-CG2 3.86Å |
| 73 | Q | 82.5 | Confident | 74.8 | Confident | 49 Ų | 49 | 82 Ų | 82 | 23% | 0.229 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 165.7 | -177.8 | 65.7 | -178.3 | -1.2 | 0 | 0 | 111.1 | S60 I71 I119 | S60-Q73 PolarHBondContact OG-NE2 3.4Å; I71-Q73 HydrophobicContact CG2-CB 4.4Å; I71-Q73 HydrophobicContact CG2-CG 3.99Å; Q73-I119 HydrophobicContact CB-CB 3.98Å; Q73-I119 WeakPolarHBondContact CB-O 3.46Å |
| 74 | Q | 76.8 | Confident | 74 | Confident | 118 Ų | 118 | 82.6 Ų | 82.6 | 55% | 0.551 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -60.5 | 138.1 | 167.2 | -167.7 | 175.8 | 27.7 | 0 | 0 | 110.4 | S76 W220 | Q74-S76 PolarHBondContact O-N 3.08Å; Q74-W220 HydrophobicContact CB-CH2 3.89Å; Q74-W220 HydrophobicContact CB-CZ2 4Å; Q74-W220 HydrophobicContact CB-CZ3 4.28Å; Q74-W220 HydrophobicContact CG-CH2 4.38Å; Q74-W220 HydrophobicContact CG-CZ2 4.34Å |
| 75 | R | 65.7 | Low | 73.3 | Confident | 218 Ų | 218 | 80.9 Ų | 80.9 | 82% | 0.823 | 42% | 0.42 | S | S | * | . | trans | -52.3 | 131.2 | 179.6 | -72.1 | -172.1 | -178.3 | 177.1 | -0.1 | 111 | ||||
| 76 | S | 60.8 | Low | 72.6 | Confident | 13 Ų | 13 | 79 Ų | 79 | 9% | 0.091 | 42% | 0.423 | C | S | . | . | trans | -126 | 19.1 | -175.2 | 59.2 | 0 | 0 | 0 | 0 | 113.2 | Q74 E78 | Q74-S76 PolarHBondContact O-N 3.08Å; S76-E78 PolarHBondContact O-N 3.11Å | ||
| 77 | D | 54.1 | Low | 71.8 | Confident | 133 Ų | 133 | 78 Ų | 78 | 71% | 0.711 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -1.9 | -161.2 | -58 | -31.3 | 0 | 0 | 0 | 115.7 | ||
| 78 | E | 56.4 | Low | 71.2 | Confident | 169 Ų | 169 | 77.8 Ų | 77.8 | 79% | 0.79 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | 4.7 | -167.9 | -65.8 | -177.5 | 170.1 | 0 | 0 | 116.2 | S76 | S76-E78 PolarHBondContact O-N 3.11Š|
| 79 | E | 63.1 | Low | 70.5 | Confident | 21 Ų | 21 | 75.9 Ų | 75.9 | 10% | 0.098 | 38% | 0.379 | C | S | . | . | trans | -103.1 | 155.4 | -177.3 | -69.9 | -175.2 | 173.3 | 0 | 0 | 115.1 | K50 R53 M54 R57 | K50-E79 VanDerWaalsContact O-OE1 3.13Å; R53-E79 HydrophobicContact CB-CG 4.46Å; R53-E79 VanDerWaalsContact CB-OE1 3.25Å; R53-E79 WeakPolarHBondContact CB-OE1 3.17Å; R53-E79 IonicContact NE-OE1 3.46Å; R53-E79 PolarHBondContact NE-OE1 3.07Å; M54-E79 WeakPolarHBondContact CA-OE2 3.47Å; M54-E79 WeakPolarHBondContact CG-OE1 3.29Å; M54-E79 WeakPolarHBondContact CG-OE2 3.41Å; M54-E79 PolarHBondContact N-OE2 2.89Å; R57-E79 PolarHBondContact NH1-O 3.38Å; R57-E79 PolarHBondContact NH2-O 3.48Å | ||
| 80 | E | 63.7 | Low | 69.9 | Low | 148 Ų | 148 | 80 Ų | 80 | 69% | 0.692 | 40% | 0.401 | S | S | * | . | trans | -97.3 | 141.1 | -179.8 | -70 | -173.7 | 176.9 | 0 | 0 | 112.1 | A82 | E80-A82 PolarHBondContact O-N 3.19Š| ||
| 81 | N | 64.4 | Low | 69.4 | Low | 87 Ų | 87 | 79.7 Ų | 79.7 | 47% | 0.465 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.9 | -28.9 | -180 | -72.2 | -23.2 | 0 | 0 | 0 | 113.3 | R57 E83 L84 D85 | R57-N81 PolarHBondContact NH2-OD1 3Å; N81-E83 PolarHBondContact O-N 2.89Å; N81-L84 PolarHBondContact O-N 3.08Å; N81-D85 VanDerWaalsContact O-CG 3.27Å; N81-D85 PolarHBondContact O-N 2.81Å |
| 82 | A | 65.4 | Low | 69 | Low | 71 Ų | 71 | 84.4 Ų | 84.4 | 59% | 0.587 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -65.4 | -40.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E80 L84 D85 S86 | E80-A82 PolarHBondContact O-N 3.19Å; A82-L84 VanDerWaalsContact C-N 3.33Å; A82-L84 PolarHBondContact O-N 2.62Å; A82-D85 PolarHBondContact O-N 2.84Å; A82-S86 PolarHBondContact O-N 2.88Å |
| 83 | E | 68.7 | Low | 68.9 | Low | 58 Ų | 58 | 85.3 Ų | 85.3 | 27% | 0.271 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.5 | -41 | 176.7 | -168.2 | 173.3 | -170.4 | 0 | 0 | 110.3 | Y39 K50 M54 N81 S86 L87 | Y39-E83 WeakPolarHBondContact CE1-OE1 3.3Å; Y39-E83 PolarHBondContact OH-OE1 2.96Å; K50-E83 VanDerWaalsContact NZ-CD 3.28Å; K50-E83 IonicContact NZ-OE1 2.72Å; K50-E83 PolarHBondContact NZ-OE1 3.39Å; K50-E83 IonicContact NZ-OE2 2.98Å; K50-E83 PolarHBondContact NZ-OE2 2.91Å; M54-E83 HydrophobicContact CE-CG 4.33Å; N81-E83 PolarHBondContact O-N 2.89Å; E83-S86 PolarHBondContact O-N 3.06Å; E83-S86 PolarHBondContact O-OG 2.89Å; E83-L87 WeakPolarHBondContact O-CD1 3.27Å; E83-L87 WeakPolarHBondContact O-CG 3.26Å |
| 84 | L | 67.7 | Low | 68.8 | Low | 13 Ų | 13 | 83.5 Ų | 83.5 | 7% | 0.068 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -69.8 | -38.1 | 179.3 | -65.6 | 175.6 | 0 | 0 | 0 | 113.6 | M54 R57 V58 N81 A82 S86 L87 R88 | M54-L84 HydrophobicContact CB-CD2 4Å; M54-L84 HydrophobicContact CE-CD2 4.2Å; M54-L84 HydrophobicContact CG-CD2 4.25Å; R57-L84 HydrophobicContact CB-CD1 3.97Å; R57-L84 VanDerWaalsContact CD-CD1 3.45Å; R57-L84 HydrophobicContact CG-CD1 3.48Å; R57-L84 VanDerWaalsContact CG-CD1 3.48Å; V58-L84 HydrophobicContact CG2-CD2 3.91Å; N81-L84 PolarHBondContact O-N 3.08Å; A82-L84 VanDerWaalsContact C-N 3.33Å; A82-L84 PolarHBondContact O-N 2.62Å; L84-S86 PolarHBondContact O-N 3.48Å; L84-L87 PolarHBondContact O-N 3.32Å; L84-R88 PolarHBondContact O-N 3.06Å |
| 85 | D | 69.7 | Low | 69 | Low | 79 Ų | 79 | 82.6 Ų | 82.6 | 42% | 0.422 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.1 | -36 | 178.5 | -75.1 | -12.1 | 0 | 0 | 0 | 111.5 | N81 A82 L87 R88 | N81-D85 VanDerWaalsContact O-CG 3.27Å; N81-D85 PolarHBondContact O-N 2.81Å; A82-D85 PolarHBondContact O-N 2.84Å; D85-L87 PolarHBondContact O-N 2.72Å; D85-R88 PolarHBondContact O-N 3.25Å; D85-R88 IonicContact OD1-CZ 3.36Å; D85-R88 IonicContact OD1-NE 2.93Å; D85-R88 PolarHBondContact OD1-NE 3.45Å; D85-R88 IonicContact OD1-NH1 3.65Å; D85-R88 IonicContact OD1-NH2 3.48Å; D85-R88 PolarHBondContact OD1-NH2 3.16Å |
| 86 | S | 70.2 | Confident | 69.9 | Low | 87 Ų | 87 | 78.4 Ų | 78.4 | 61% | 0.608 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -66.2 | -22.3 | 175.1 | 81.3 | 0 | 0 | 0 | 0 | 113.8 | A82 E83 L84 | A82-S86 PolarHBondContact O-N 2.88Å; E83-S86 PolarHBondContact O-N 3.06Å; E83-S86 PolarHBondContact O-OG 2.89Å; L84-S86 PolarHBondContact O-N 3.48Å |
| 87 | L | 68.1 | Low | 70.9 | Confident | 12 Ų | 12 | 85.4 Ų | 85.4 | 6% | 0.063 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -95.9 | -5.9 | -174 | -70 | 168.4 | 0 | 0 | 0 | 113.8 | I33 Y39 M54 E83 L84 D85 T89 | I33-L87 HydrophobicContact CD1-CB 3.78Å; I33-L87 HydrophobicContact CG1-CB 3.91Å; I33-L87 WeakPolarHBondContact CG1-O 3.42Å; I33-L87 HydrophobicContact CG2-CB 4.21Å; I33-L87 HydrophobicContact CG2-CD1 3.87Å; I33-L87 HydrophobicContact CG2-CD2 4.38Å; I33-L87 HydrophobicContact CG2-CG 4.39Å; Y39-L87 HydrophobicContact CD2-CD1 4.41Å; Y39-L87 HydrophobicContact CD2-CD2 3.82Å; Y39-L87 HydrophobicContact CE2-CD1 4.1Å; Y39-L87 HydrophobicContact CE2-CD2 3.54Å; Y39-L87 HydrophobicContact CE2-CG 4.36Å; M54-L87 HydrophobicContact CE-CD1 3.12Å; E83-L87 WeakPolarHBondContact O-CD1 3.27Å; E83-L87 WeakPolarHBondContact O-CG 3.26Å; L84-L87 PolarHBondContact O-N 3.32Å; D85-L87 PolarHBondContact O-N 2.72Å; L87-T89 PolarHBondContact O-N 3.29Å |
| 88 | R | 67.7 | Low | 72.1 | Confident | 105 Ų | 105 | 79.8 Ų | 79.8 | 40% | 0.396 | 39% | 0.391 | S | S | . | . | trans | -59.7 | 121.1 | -178.7 | -68.8 | 178.8 | 178.8 | -169.2 | 2.8 | 111 | L84 D85 Y91 | L84-R88 PolarHBondContact O-N 3.06Å; D85-R88 PolarHBondContact O-N 3.25Å; D85-R88 IonicContact OD1-CZ 3.36Å; D85-R88 IonicContact OD1-NE 2.93Å; D85-R88 PolarHBondContact OD1-NE 3.45Å; D85-R88 IonicContact OD1-NH1 3.65Å; D85-R88 IonicContact OD1-NH2 3.48Å; D85-R88 PolarHBondContact OD1-NH2 3.16Å; R88-Y91 HydrophobicContact CB-CE2 4.17Å; R88-Y91 HydrophobicContact CG-CE2 4.25Å | ||
| 89 | T | 69.2 | Low | 73.3 | Confident | 30 Ų | 30 | 74.6 Ų | 74.6 | 18% | 0.184 | 36% | 0.364 | C | S | . | . | trans | -74.8 | 163.3 | 171.5 | -49.2 | 0 | 0 | 0 | 0 | 110.1 | N29 L87 Y91 | N29-T89 WeakPolarHBondContact OD1-CB 3.49Å; N29-T89 PolarHBondContact OD1-N 2.9Å; N29-T89 PolarHBondContact OD1-OG1 2.84Å; L87-T89 PolarHBondContact O-N 3.29Å; T89-Y91 WeakPolarHBondContact O-CD2 3.18Å; T89-Y91 PolarHBondContact O-N 3.43Å | ||
| 90 | N | 74 | Confident | 74.2 | Confident | 103 Ų | 103 | 79.1 Ų | 79.1 | 55% | 0.551 | 39% | 0.388 | S | S | * | . | trans | -62.4 | 93.6 | 171 | -174.6 | -19.4 | 0 | 0 | 0 | 110.5 | Y92 A93 L94 | N90-Y92 PolarHBondContact O-N 3.45Å; N90-Y92 WeakPolarHBondContact OD1-CB 3.17Å; N90-Y92 PolarHBondContact OD1-N 2.94Å; N90-Y92 VanDerWaalsContact OD1-N 3.07Å; N90-A93 HydrophobicContact CB-CB 4.13Å; N90-A93 PolarHBondContact O-N 3.46Å; N90-A93 PolarHBondContact OD1-N 3.49Å; N90-L94 PolarHBondContact O-N 3.01Å | ||
| 91 | Y | 76.7 | Confident | 74.7 | Confident | 80 Ų | 80 | 75.2 Ų | 75.2 | 31% | 0.314 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -54.4 | -34.4 | 178.3 | -77.1 | -81.8 | 0 | 0 | 0 | 112.5 | M25 N29 R88 T89 L94 W95 | M25-Y91 HydrophobicContact CE-CD1 4.07Å; M25-Y91 WeakPolarHBondContact CE-O 3.19Å; N29-Y91 HydrophobicContact CB-CE1 4.29Å; N29-Y91 PolarHBondContact ND2-OH 2.77Å; N29-Y91 VanDerWaalsContact ND2-OH 3.15Å; R88-Y91 HydrophobicContact CB-CE2 4.17Å; R88-Y91 HydrophobicContact CG-CE2 4.25Å; T89-Y91 WeakPolarHBondContact O-CD2 3.18Å; T89-Y91 PolarHBondContact O-N 3.43Å; Y91-L94 PolarHBondContact O-N 3.14Å; Y91-W95 VanDerWaalsContact O-CB 3.26Å; Y91-W95 WeakPolarHBondContact O-CB 3.43Å; Y91-W95 PolarHBondContact O-N 3.23Å |
| 92 | Y | 79.5 | Confident | 75.3 | Confident | 143 Ų | 143 | 71.4 Ų | 71.4 | 56% | 0.561 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -67.3 | -44.7 | 179.7 | 179.9 | -99.6 | 0 | 0 | 0 | 112 | N90 L94 W95 W96 | N90-Y92 PolarHBondContact O-N 3.45Å; N90-Y92 WeakPolarHBondContact OD1-CB 3.17Å; N90-Y92 PolarHBondContact OD1-N 2.94Å; N90-Y92 VanDerWaalsContact OD1-N 3.07Å; Y92-L94 VanDerWaalsContact C-N 3.3Å; Y92-L94 PolarHBondContact O-N 3.46Å; Y92-W95 HydrophobicContact CD2-CE3 4.33Å; Y92-W95 HydrophobicContact CE2-CE3 4.15Å; Y92-W95 HydrophobicContact CE2-CZ3 4.18Å; Y92-W95 PolarHBondContact O-N 3.46Å; Y92-W96 WeakPolarHBondContact O-CB 3.49Å; Y92-W96 PolarHBondContact O-N 3.48Å |
| 93 | A | 83.1 | Confident | 76.2 | Confident | 54 Ų | 54 | 72.6 Ų | 72.6 | 45% | 0.446 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | N90 K97 | N90-A93 HydrophobicContact CB-CB 4.13Å; N90-A93 PolarHBondContact O-N 3.46Å; N90-A93 PolarHBondContact OD1-N 3.49Å; A93-K97 PolarHBondContact O-N 3.31Å |
| 94 | L | 79.4 | Confident | 76.8 | Confident | 12 Ų | 12 | 77 Ų | 77 | 6% | 0.063 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -69.1 | -41.8 | 177.7 | -177.9 | 72.6 | 0 | 0 | 0 | 111.5 | M25 L28 N29 N90 Y91 Y92 W96 K97 H98 | M25-L94 HydrophobicContact CE-CB 3.58Å; M25-L94 HydrophobicContact CE-CD2 3.49Å; M25-L94 VanDerWaalsContact CE-CD2 3.49Å; M25-L94 HydrophobicContact CE-CG 3.6Å; M25-L94 HydrophobicContact SD-CB 4.3Å; M25-L94 HydrophobicContact SD-CD2 3.98Å; M25-L94 HydrophobicContact SD-CG 3.82Å; L28-L94 HydrophobicContact CB-CD1 3.81Å; L28-L94 HydrophobicContact CB-CD2 3.37Å; L28-L94 HydrophobicContact CB-CG 3.99Å; L28-L94 HydrophobicContact CD1-CD1 3.87Å; L28-L94 HydrophobicContact CD1-CD2 4.21Å; L28-L94 HydrophobicContact CD1-CG 4.03Å; L28-L94 HydrophobicContact CG-CD1 4.3Å; L28-L94 HydrophobicContact CG-CD2 4.44Å; N29-L94 HydrophobicContact CB-CD2 4.47Å; N90-L94 PolarHBondContact O-N 3.01Å; Y91-L94 PolarHBondContact O-N 3.14Å; Y92-L94 VanDerWaalsContact C-N 3.3Å; Y92-L94 PolarHBondContact O-N 3.46Å; L94-W96 VanDerWaalsContact C-N 3.35Å; L94-W96 PolarHBondContact O-N 2.79Å; L94-K97 PolarHBondContact O-N 2.96Å; L94-H98 PolarHBondContact O-CD2 2.72Å; L94-H98 VanDerWaalsContact O-CD2 3.25Å; L94-H98 PolarHBondContact O-N 2.88Å |
| 95 | W | 81.8 | Confident | 77.5 | Confident | 99 Ų | 99 | 77 Ų | 77 | 38% | 0.375 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.1 | -46.2 | 175.3 | 175.6 | 85.3 | 0 | 0 | 0 | 110.7 | M25 Y91 Y92 K97 H98 R99 | M25-W95 HydrophobicContact CE-CB 3.86Å; M25-W95 VanDerWaalsContact CE-N 3.28Å; M25-W95 WeakPolarHBondContact SD-CA 3.28Å; M25-W95 HydrophobicContact SD-CB 3.94Å; M25-W95 PolarHBondContact SD-N 3.3Å; Y91-W95 VanDerWaalsContact O-CB 3.26Å; Y91-W95 WeakPolarHBondContact O-CB 3.43Å; Y91-W95 PolarHBondContact O-N 3.23Å; Y92-W95 HydrophobicContact CD2-CE3 4.33Å; Y92-W95 HydrophobicContact CE2-CE3 4.15Å; Y92-W95 HydrophobicContact CE2-CZ3 4.18Å; Y92-W95 PolarHBondContact O-N 3.46Å; W95-K97 PolarHBondContact O-N 3.36Å; W95-H98 CarbonylContact O-C 3.59Å; W95-H98 PolarHBondContact O-N 2.94Å; W95-R99 HydrophobicContact CD2-CB 4.27Å; W95-R99 HydrophobicContact CE3-CB 4.49Å; W95-R99 HydrophobicContact CH2-CB 4.22Å; W95-R99 HydrophobicContact CZ2-CB 3.98Å; W95-R99 HydrophobicContact CZ3-CB 4.48Å; W95-R99 WeakPolarHBondContact O-CB 3.3Å; W95-R99 PolarHBondContact O-N 2.98Å |
| 96 | W | 83.8 | Confident | 78.3 | Confident | 130 Ų | 130 | 77.1 Ų | 77.1 | 49% | 0.492 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -57.6 | -38.1 | 179 | -171.6 | -98.2 | 0 | 0 | 0 | 112.7 | Y92 L94 H98 R99 | Y92-W96 WeakPolarHBondContact O-CB 3.49Å; Y92-W96 PolarHBondContact O-N 3.48Å; L94-W96 VanDerWaalsContact C-N 3.35Å; L94-W96 PolarHBondContact O-N 2.79Å; W96-H98 VanDerWaalsContact C-N 3.31Å; W96-H98 PolarHBondContact O-N 3.41Å; W96-R99 VanDerWaalsContact CZ2-NH2 3.33Å |
| 97 | K | 82.9 | Confident | 79.3 | Confident | 160 Ų | 160 | 76.5 Ų | 76.5 | 70% | 0.696 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -65.6 | -31.2 | 177.6 | -173.9 | 179.5 | 176.7 | -174.7 | 0 | 113 | A93 L94 W95 | A93-K97 PolarHBondContact O-N 3.31Å; L94-K97 PolarHBondContact O-N 2.96Å; W95-K97 PolarHBondContact O-N 3.36Å |
| 98 | H | 79.4 | Confident | 80.3 | Confident | 14 Ų | 14 | 79.5 Ų | 79.5 | 7% | 0.065 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -112.2 | -6.2 | -171.9 | -64.1 | -73.8 | 0 | 0 | 0 | 114.5 | L28 L94 W95 W96 L100 L101 L102 | L28-H98 WeakPolarHBondContact CD1-CD2 3.16Å; L94-H98 PolarHBondContact O-CD2 2.72Å; L94-H98 VanDerWaalsContact O-CD2 3.25Å; L94-H98 PolarHBondContact O-N 2.88Å; W95-H98 CarbonylContact O-C 3.59Å; W95-H98 PolarHBondContact O-N 2.94Å; W96-H98 VanDerWaalsContact C-N 3.31Å; W96-H98 PolarHBondContact O-N 3.41Å; H98-L100 VanDerWaalsContact C-N 3.31Å; H98-L100 PolarHBondContact O-N 2.85Å; H98-L101 PolarHBondContact O-N 2.98Å; H98-L101 VanDerWaalsContact O-N 3.1Å; H98-L102 PolarHBondContact O-N 3.27Å |
| 99 | R | 81.5 | Confident | 81.4 | Confident | 61 Ų | 61 | 79.1 Ų | 79.1 | 23% | 0.23 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -55.2 | -37.5 | -174.2 | 71 | -176.5 | -179.3 | 94 | -5.3 | 114.7 | W95 W96 L101 L102 E103 | W95-R99 HydrophobicContact CD2-CB 4.27Å; W95-R99 HydrophobicContact CE3-CB 4.49Å; W95-R99 HydrophobicContact CH2-CB 4.22Å; W95-R99 HydrophobicContact CZ2-CB 3.98Å; W95-R99 HydrophobicContact CZ3-CB 4.48Å; W95-R99 WeakPolarHBondContact O-CB 3.3Å; W95-R99 PolarHBondContact O-N 2.98Å; W96-R99 VanDerWaalsContact CZ2-NH2 3.33Å; R99-L101 VanDerWaalsContact C-N 3.25Å; R99-L101 PolarHBondContact O-N 2.95Å; R99-L102 CarbonylContact O-C 3.57Å; R99-L102 PolarHBondContact O-N 3.27Å; R99-L102 VanDerWaalsContact O-N 3.12Å; R99-E103 IonicContact NH1-OE1 3.08Å; R99-E103 PolarHBondContact NH1-OE1 3.41Å; R99-E103 VanDerWaalsContact NH1-OE1 3.08Å; R99-E103 WeakPolarHBondContact O-CB 3.45Å; R99-E103 WeakPolarHBondContact O-CG 3.31Å; R99-E103 PolarHBondContact O-N 2.91Å |
| 100 | L | 82.1 | Confident | 82.4 | Confident | 115 Ų | 115 | 78.8 Ų | 78.8 | 60% | 0.602 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -65.3 | -28.8 | -178.3 | -65.9 | 177.8 | 0 | 0 | 0 | 113 | H98 | H98-L100 VanDerWaalsContact C-N 3.31Å; H98-L100 PolarHBondContact O-N 2.85Å |
| 101 | L | 73.3 | Confident | 83.2 | Confident | 66 Ų | 66 | 74.4 Ų | 74.4 | 35% | 0.346 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -77 | -40.7 | 173.6 | -71.4 | 165.9 | 0 | 0 | 0 | 110.9 | H98 R99 E103 K104 W131 N139 | H98-L101 PolarHBondContact O-N 2.98Å; H98-L101 VanDerWaalsContact O-N 3.1Å; R99-L101 VanDerWaalsContact C-N 3.25Å; R99-L101 PolarHBondContact O-N 2.95Å; L101-E103 VanDerWaalsContact C-N 3.29Å; L101-E103 PolarHBondContact O-N 3.25Å; L101-K104 WeakPolarHBondContact O-CB 3.22Å; L101-K104 PolarHBondContact O-N 2.8Å; L101-W131 HydrophobicContact CB-CH2 3.72Å; L101-W131 HydrophobicContact CB-CZ2 4.15Å; L101-W131 HydrophobicContact CD1-CH2 3.88Å; L101-W131 HydrophobicContact CD1-CZ2 3.54Å; L101-W131 HydrophobicContact CG-CH2 4.4Å; L101-W131 HydrophobicContact CG-CZ2 4.49Å; L101-N139 HydrophobicContact CD1-CB 4.39Å; L101-N139 WeakPolarHBondContact CD1-ND2 3.31Å |
| 102 | L | 77.3 | Confident | 83.7 | Confident | 7 Ų | 7 | 71.1 Ų | 71.1 | 4% | 0.037 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.4 | -33.6 | 176.7 | -62.2 | 172.3 | 0 | 0 | 0 | 111.7 | K17 A21 H98 R99 K104 L105 | K17-L102 WeakPolarHBondContact CE-O 3.38Å; A21-L102 HydrophobicContact CB-CD1 3.74Å; A21-L102 HydrophobicContact CB-CD2 4.09Å; A21-L102 HydrophobicContact CB-CG 4.43Å; H98-L102 PolarHBondContact O-N 3.27Å; R99-L102 CarbonylContact O-C 3.57Å; R99-L102 PolarHBondContact O-N 3.27Å; R99-L102 VanDerWaalsContact O-N 3.12Å; L102-K104 PolarHBondContact O-N 3.07Å; L102-L105 HydrophobicContact CD2-CD1 4.06Å; L102-L105 WeakPolarHBondContact O-CB 3.47Å; L102-L105 PolarHBondContact O-N 3.33Å; L102-L105 VanDerWaalsContact O-N 3.09Å |
| 103 | E | 83.9 | Confident | 84 | Confident | 96 Ų | 96 | 70.8 Ų | 70.8 | 45% | 0.449 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.8 | -30.4 | 176.7 | -80.6 | 170.5 | -158.9 | 0 | 0 | 112.4 | K17 R99 L101 L105 | K17-E103 PolarHBondContact NZ-O 3.41Å; R99-E103 IonicContact NH1-OE1 3.08Å; R99-E103 PolarHBondContact NH1-OE1 3.41Å; R99-E103 VanDerWaalsContact NH1-OE1 3.08Å; R99-E103 WeakPolarHBondContact O-CB 3.45Å; R99-E103 WeakPolarHBondContact O-CG 3.31Å; R99-E103 PolarHBondContact O-N 2.91Å; L101-E103 VanDerWaalsContact C-N 3.29Å; L101-E103 PolarHBondContact O-N 3.25Å; E103-L105 VanDerWaalsContact C-N 3.26Å; E103-L105 PolarHBondContact O-N 2.78Å |
| 104 | K | 82.4 | Confident | 84.1 | Confident | 150 Ų | 150 | 75.5 Ų | 75.5 | 65% | 0.652 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -17.4 | 177.1 | -63.8 | -178.3 | 179.3 | -175.9 | 0 | 114.2 | L101 L102 | L101-K104 WeakPolarHBondContact O-CB 3.22Å; L101-K104 PolarHBondContact O-N 2.8Å; L102-K104 PolarHBondContact O-N 3.07Å |
| 105 | L | 81.9 | Confident | 84.5 | Confident | 14 Ų | 14 | 76.3 Ų | 76.3 | 7% | 0.073 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -71 | 136.1 | 178.7 | -61.4 | 173.4 | 0 | 0 | 0 | 110.2 | K17 V20 L102 E103 I133 Y136 | K17-L105 HydrophobicContact CB-CB 4.38Å; K17-L105 HydrophobicContact CD-CB 4.38Å; K17-L105 WeakPolarHBondContact CD-O 3.28Å; K17-L105 HydrophobicContact CG-CB 4.02Å; K17-L105 PolarHBondContact NZ-O 2.95Å; V20-L105 HydrophobicContact CB-CD1 4.13Å; V20-L105 HydrophobicContact CG1-CD1 3.67Å; L102-L105 HydrophobicContact CD2-CD1 4.06Å; L102-L105 WeakPolarHBondContact O-CB 3.47Å; L102-L105 PolarHBondContact O-N 3.33Å; L102-L105 VanDerWaalsContact O-N 3.09Å; E103-L105 VanDerWaalsContact C-N 3.26Å; E103-L105 PolarHBondContact O-N 2.78Å; L105-I133 HydrophobicContact CD1-CD1 3.72Å; L105-I133 HydrophobicContact CD2-CD1 3.51Å; L105-I133 HydrophobicContact CD2-CG2 4.25Å; L105-I133 HydrophobicContact CG-CD1 4.14Å; L105-Y136 HydrophobicContact CD2-CD1 3.87Å; L105-Y136 HydrophobicContact CD2-CD2 4.05Å; L105-Y136 HydrophobicContact CD2-CE1 3.93Å; L105-Y136 HydrophobicContact CD2-CE2 4.1Å; L105-Y136 HydrophobicContact CD2-CG 3.93Å |
| 106 | T | 86.3 | Confident | 84.7 | Confident | 82 Ų | 82 | 73.6 Ų | 73.6 | 50% | 0.503 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 133.9 | 173 | -52 | 0 | 0 | 0 | 0 | 108.6 | I108 Y136 | T106-I108 HydrophobicContact CG2-CD1 4.42Å; T106-I108 HydrophobicContact CG2-CG1 3.99Å; T106-I108 PolarHBondContact O-N 3.35Å; T106-Y136 PolarHBondContact OG1-OH 3.45Å; T106-Y136 VanDerWaalsContact OG1-OH 3.11Å |
| 107 | S | 90.6 | Very high | 84.8 | Confident | 74 Ų | 74 | 68.3 Ų | 68.3 | 52% | 0.517 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 120.1 | 169.8 | 177.2 | 0 | 0 | 0 | 0 | 108.2 | D15 | D15-S107 VanDerWaalsContact CG-OG 3.23Å; D15-S107 WeakPolarHBondContact OD1-CA 3.23Å; D15-S107 PolarHBondContact OD1-OG 2.87Å; D15-S107 WeakPolarHBondContact OD2-CB 3.11Å; D15-S107 PolarHBondContact OD2-OG 2.85Å |
| 108 | I | 89.7 | Confident | 85 | Confident | 74 Ų | 74 | 62.5 Ų | 62.5 | 38% | 0.379 | 32% | 0.323 | S | S | . | . | trans | -135.2 | 112.7 | -178.2 | -58.6 | 176 | 0 | 0 | 0 | 107.1 | D15 L16 T106 V110 | D15-I108 PolarHBondContact OD1-N 3.03Å; L16-I108 HydrophobicContact CB-CB 4.37Å; L16-I108 WeakPolarHBondContact CB-O 3.02Å; L16-I108 PolarHBondContact N-O 3.3Å; T106-I108 HydrophobicContact CG2-CD1 4.42Å; T106-I108 HydrophobicContact CG2-CG1 3.99Å; T106-I108 PolarHBondContact O-N 3.35Å; I108-V110 HydrophobicContact CG2-CG2 3.9Å; I108-V110 PolarHBondContact O-N 2.86Å | ||
| 109 | P | 91.3 | Very high | 85.1 | Confident | 97 Ų | 97 | 62.1 Ų | 62.1 | 63% | 0.63 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 127.8 | 172.1 | 29.7 | -32.1 | 0 | 0 | 0 | 109.4 | V14 | V14-P109 WeakPolarHBondContact O-CA 3.16Å |
| 110 | V | 90.3 | Very high | 85 | Confident | 24 Ų | 24 | 60.1 Ų | 60.1 | 15% | 0.145 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 142.2 | 177.9 | -174.5 | 0 | 0 | 0 | 0 | 109.2 | T13 V14 L16 I108 E114 L115 | T13-V110 CarbonylContact C-O 3.56Å; T13-V110 VanDerWaalsContact CA-O 3.25Å; T13-V110 WeakPolarHBondContact CA-O 3.21Å; V14-V110 PolarHBondContact N-O 3.03Å; V14-V110 PolarHBondContact O-N 2.96Å; L16-V110 HydrophobicContact CB-CG2 4.18Å; I108-V110 HydrophobicContact CG2-CG2 3.9Å; I108-V110 PolarHBondContact O-N 2.86Å; V110-E114 HydrophobicContact CG1-CB 4.35Å; V110-L115 HydrophobicContact CB-CD1 4.04Å; V110-L115 HydrophobicContact CB-CD2 4.5Å; V110-L115 HydrophobicContact CB-CG 4.36Å; V110-L115 HydrophobicContact CG1-CD1 3.95Å; V110-L115 HydrophobicContact CG1-CD2 3.85Å; V110-L115 HydrophobicContact CG1-CG 3.71Å |
| 111 | S | 89.7 | Confident | 84.4 | Confident | 11 Ų | 11 | 55.9 Ų | 55.9 | 8% | 0.077 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 134.3 | 172.3 | 165.2 | 0 | 0 | 0 | 0 | 110.3 | D11 K113 E114 | D11-S111 WeakPolarHBondContact OD1-CB 3.17Å; D11-S111 PolarHBondContact OD1-OG 2.85Å; S111-K113 PolarHBondContact O-N 2.73Å; S111-K113 VanDerWaalsContact O-N 3.16Å; S111-K113 WeakPolarHBondContact OG-CB 2.97Å; S111-K113 PolarHBondContact OG-N 2.78Å; S111-E114 PolarHBondContact O-N 3.42Å; S111-E114 VanDerWaalsContact O-N 3.14Å |
| 112 | L | 87 | Confident | 84.1 | Confident | 11 Ų | 11 | 54.9 Ų | 54.9 | 6% | 0.058 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -22.4 | 173.3 | -73 | 179.8 | 0 | 0 | 0 | 113.3 | A12 V14 F66 P67 I69 E114 L115 | A12-L112 HydrophobicContact CB-CD1 3.82Å; A12-L112 HydrophobicContact CB-CG 4.45Å; A12-L112 WeakPolarHBondContact O-CB 3.28Å; A12-L112 WeakPolarHBondContact O-CG 3.39Å; A12-L112 PolarHBondContact O-N 2.75Å; V14-L112 HydrophobicContact CB-CD2 3.91Å; V14-L112 HydrophobicContact CG1-CD2 3.58Å; V14-L112 HydrophobicContact CG1-CG 4.39Å; F66-L112 HydrophobicContact CB-CD1 4.08Å; F66-L112 HydrophobicContact CB-CD2 3.89Å; F66-L112 HydrophobicContact CG-CD2 4.43Å; P67-L112 VanDerWaalsContact O-CD1 3.25Å; P67-L112 WeakPolarHBondContact O-CD1 3.31Å; I69-L112 HydrophobicContact CB-CD2 4.31Å; I69-L112 HydrophobicContact CD1-CD2 4.28Å; I69-L112 HydrophobicContact CG1-CD2 4.48Å; L112-E114 VanDerWaalsContact C-N 3.3Å; L112-L115 HydrophobicContact CD2-CD1 4.36Å; L112-L115 PolarHBondContact O-N 2.71Å |
| 113 | K | 86 | Confident | 83.5 | Confident | 135 Ų | 135 | 57 Ų | 57 | 59% | 0.587 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -27.5 | 178.2 | -64.5 | 178.2 | -176.5 | 168.5 | 0 | 112.9 | D11 S111 L115 | D11-K113 WeakPolarHBondContact OD1-CD 3.46Å; S111-K113 PolarHBondContact O-N 2.73Å; S111-K113 VanDerWaalsContact O-N 3.16Å; S111-K113 WeakPolarHBondContact OG-CB 2.97Å; S111-K113 PolarHBondContact OG-N 2.78Å; K113-L115 VanDerWaalsContact C-N 3.32Å |
| 114 | E | 85 | Confident | 82.6 | Confident | 154 Ų | 154 | 53.7 Ų | 53.7 | 72% | 0.72 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -10.5 | 178.9 | -62.3 | 178.2 | 168.3 | 0 | 0 | 112.1 | V110 S111 L112 | V110-E114 HydrophobicContact CG1-CB 4.35Å; S111-E114 PolarHBondContact O-N 3.42Å; S111-E114 VanDerWaalsContact O-N 3.14Å; L112-E114 VanDerWaalsContact C-N 3.3Å |
| 115 | L | 87.4 | Confident | 81.5 | Confident | 29 Ų | 29 | 50.1 Ų | 50.1 | 15% | 0.152 | 27% | 0.273 | C | S | . | . | trans | -102 | 130.7 | -175.2 | -68.5 | 172.4 | 0 | 0 | 0 | 111.9 | V14 L16 L19 V110 L112 K113 | V14-L115 HydrophobicContact CG1-CD1 3.37Å; L16-L115 HydrophobicContact CD1-CD2 4.38Å; L19-L115 HydrophobicContact CD2-CD1 3.85Å; V110-L115 HydrophobicContact CB-CD1 4.04Å; V110-L115 HydrophobicContact CB-CD2 4.5Å; V110-L115 HydrophobicContact CB-CG 4.36Å; V110-L115 HydrophobicContact CG1-CD1 3.95Å; V110-L115 HydrophobicContact CG1-CD2 3.85Å; V110-L115 HydrophobicContact CG1-CG 3.71Å; L112-L115 HydrophobicContact CD2-CD1 4.36Å; L112-L115 PolarHBondContact O-N 2.71Å; K113-L115 VanDerWaalsContact C-N 3.32Å | ||
| 116 | S | 86 | Confident | 80.7 | Confident | 42 Ų | 42 | 53.1 Ų | 53.1 | 29% | 0.294 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 133.1 | 163.9 | 61.5 | 0 | 0 | 0 | 0 | 110 | K70 W118 | K70-S116 CarbonylContact O-C 3.56Å; K70-S116 WeakPolarHBondContact O-CA 3.35Å; S116-W118 PolarHBondContact OG-NE1 3.31Å |
| 117 | V | 87.3 | Confident | 79.7 | Confident | 19 Ų | 19 | 55.8 Ų | 55.8 | 12% | 0.115 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 117.9 | 174.5 | -178.3 | 0 | 0 | 0 | 0 | 109.2 | L19 V63 I69 K70 I71 V72 I119 | L19-V117 HydrophobicContact CD1-CG2 4.45Å; L19-V117 HydrophobicContact CD2-CG2 4.46Å; V63-V117 HydrophobicContact CG1-CB 3.96Å; V63-V117 HydrophobicContact CG1-CG1 4.13Å; V63-V117 HydrophobicContact CG1-CG2 3.74Å; V63-V117 HydrophobicContact CG2-CG1 4.05Å; I69-V117 HydrophobicContact CD1-CG2 3.68Å; I69-V117 HydrophobicContact CG1-CG2 4.1Å; K70-V117 PolarHBondContact O-N 2.95Å; I71-V117 WeakPolarHBondContact CA-O 3.36Å; V72-V117 PolarHBondContact N-O 3.14Å; V117-I119 HydrophobicContact CG1-CD1 4.47Å; V117-I119 HydrophobicContact CG1-CG1 4.05Å |
| 118 | W | 86.3 | Confident | 78.8 | Confident | 38 Ų | 38 | 56 Ų | 56 | 14% | 0.144 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 124.7 | 178.3 | -66.5 | 68.5 | 0 | 0 | 0 | 109.8 | V72 S116 K219 W220 C223 Y246 | V72-W118 HydrophobicContact CB-CD2 3.7Å; V72-W118 HydrophobicContact CB-CE3 3.86Å; V72-W118 HydrophobicContact CB-CG 4.07Å; V72-W118 HydrophobicContact CB-CZ2 4.4Å; V72-W118 HydrophobicContact CB-CZ3 4.3Å; V72-W118 HydrophobicContact CG1-CD2 3.87Å; V72-W118 HydrophobicContact CG1-CE3 3.51Å; V72-W118 HydrophobicContact CG1-CH2 3.89Å; V72-W118 HydrophobicContact CG1-CZ2 4.2Å; V72-W118 HydrophobicContact CG1-CZ3 3.53Å; V72-W118 HydrophobicContact CG2-CD2 4.17Å; V72-W118 HydrophobicContact CG2-CZ2 4.16Å; V72-W118 CarbonylContact O-C 3.58Å; V72-W118 VanDerWaalsContact O-CA 3.32Å; V72-W118 WeakPolarHBondContact O-CA 3.47Å; S116-W118 PolarHBondContact OG-NE1 3.31Å; W118-K219 HydrophobicContact CH2-CB 4.36Å; W118-K219 HydrophobicContact CZ3-CB 4.02Å; W118-W220 HydrophobicContact CE3-CB 3.6Å; W118-W220 HydrophobicContact CZ3-CB 3.91Å; W118-C223 HydrophobicContact CB-CB 4Å; W118-C223 WeakPolarHBondContact CB-SG 3.39Å; W118-C223 HydrophobicContact CG-CB 4.44Å; W118-Y246 HydrophobicContact CD2-CD1 4.35Å; W118-Y246 HydrophobicContact CE3-CD1 4.4Å; W118-Y246 VanDerWaalsContact CZ2-O 3.29Å; W118-Y246 WeakPolarHBondContact CZ2-O 3.34Å; W118-Y246 HydrophobicContact CZ3-CD1 4.5Å; W118-Y246 PolarHBondContact NE1-O 3.35Å; W118-Y246 VanDerWaalsContact NE1-O 3.09Å |
| 119 | I | 82.8 | Confident | 78.1 | Confident | 5 Ų | 5 | 53.9 Ų | 53.9 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 126.2 | -175.8 | -56.9 | 172.8 | 0 | 0 | 0 | 109.4 | I59 I71 V72 Q73 V117 | I59-I119 HydrophobicContact CB-CD1 4.23Å; I59-I119 HydrophobicContact CB-CG2 3.94Å; I59-I119 HydrophobicContact CD1-CG2 4.06Å; I59-I119 HydrophobicContact CG2-CD1 3.72Å; I59-I119 HydrophobicContact CG2-CG1 3.89Å; I59-I119 HydrophobicContact CG2-CG2 3.9Å; I71-I119 HydrophobicContact CG2-CD1 3.79Å; I71-I119 HydrophobicContact CG2-CG1 4.37Å; V72-I119 PolarHBondContact O-N 3.33Å; Q73-I119 HydrophobicContact CB-CB 3.98Å; Q73-I119 WeakPolarHBondContact CB-O 3.46Å; V117-I119 HydrophobicContact CG1-CD1 4.47Å; V117-I119 HydrophobicContact CG1-CG1 4.05Å |
| 120 | S | 77.3 | Confident | 77.6 | Confident | 19 Ų | 19 | 50.9 Ų | 50.9 | 13% | 0.133 | 26% | 0.262 | C | S | . | . | trans | -131.7 | 116 | 173.6 | -167.1 | 0 | 0 | 0 | 0 | 111.2 | M122 W220 | S120-M122 PolarHBondContact O-N 2.82Å; S120-M122 WeakPolarHBondContact OG-CG 3.22Å; S120-W220 WeakPolarHBondContact CB-O 3.36Å; S120-W220 VanDerWaalsContact OG-CE3 3.27Å; S120-W220 WeakPolarHBondContact OG-CZ3 3.01Å; S120-W220 PolarHBondContact OG-O 2.84Å | ||
| 121 | P | 70.6 | Confident | 77.2 | Confident | 27 Ų | 27 | 50.9 Ų | 50.9 | 18% | 0.175 | 26% | 0.259 | C | S | . | . | trans | -76.9 | 69.3 | 174.9 | 33.4 | -35.8 | 0 | 0 | 0 | 110.6 | G52 V55 | G52-P121 WeakPolarHBondContact O-CB 3.37Å; G52-P121 WeakPolarHBondContact O-CG 3.3Å; V55-P121 HydrophobicContact CB-CB 4.01Å; V55-P121 HydrophobicContact CG1-CB 3.68Å | ||
| 122 | M | 66.2 | Low | 76.9 | Confident | 44 Ų | 44 | 51.2 Ų | 51.2 | 22% | 0.217 | 26% | 0.264 | C | S | . | . | trans | -89.9 | 136.9 | 179.6 | -60.1 | -156.9 | 139.4 | 0 | 0 | 113.4 | S120 F124 I196 N221 | S120-M122 PolarHBondContact O-N 2.82Å; S120-M122 WeakPolarHBondContact OG-CG 3.22Å; M122-F124 VanDerWaalsContact C-N 3.28Å; M122-F124 PolarHBondContact O-N 3.4Å; M122-I196 HydrophobicContact CE-CB 4.04Å; M122-I196 HydrophobicContact CE-CD1 3.97Å; M122-I196 HydrophobicContact CE-CG1 3.85Å; M122-I196 HydrophobicContact CE-CG2 3.05Å; M122-I196 HydrophobicContact SD-CB 4.44Å; M122-I196 HydrophobicContact SD-CG1 4.15Å; M122-I196 HydrophobicContact SD-CG2 3.69Å; M122-N221 VanDerWaalsContact CE-CA 3.45Å; M122-N221 HydrophobicContact CE-CB 3.4Å; M122-N221 VanDerWaalsContact CE-CB 3.4Å; M122-N221 WeakPolarHBondContact CE-O 3.38Å; M122-N221 WeakPolarHBondContact CE-OD1 3.37Å | ||
| 123 | D | 65.1 | Low | 76.7 | Confident | 53 Ų | 53 | 52.3 Ų | 52.3 | 28% | 0.283 | 27% | 0.27 | S | S | . | . | trans | 39.7 | 47 | 158.2 | -66 | -32 | 0 | 0 | 0 | 116.3 | L125 Q126 G195 I196 G197 Y198 | D123-L125 PolarHBondContact O-N 3.48Å; D123-Q126 PolarHBondContact O-N 3.18Å; D123-G195 WeakPolarHBondContact OD1-CA 3.24Å; D123-G195 WeakPolarHBondContact OD2-CA 3.45Å; D123-I196 PolarHBondContact OD2-N 3.32Å; D123-G197 WeakPolarHBondContact OD2-CA 3.42Å; D123-G197 PolarHBondContact OD2-N 3.27Å; D123-Y198 PolarHBondContact OD2-N 2.85Å | ||
| 124 | F | 64.6 | Low | 76.6 | Confident | 25 Ų | 25 | 49.3 Ų | 49.3 | 11% | 0.11 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | 0.6 | -178.7 | 50 | -104.8 | 0 | 0 | 0 | 115.3 | A34 V41 I51 V55 M122 | A34-F124 HydrophobicContact CB-CB 3.66Å; A34-F124 HydrophobicContact CB-CD1 4.25Å; A34-F124 HydrophobicContact CB-CD2 3.29Å; A34-F124 HydrophobicContact CB-CE2 3.92Å; A34-F124 HydrophobicContact CB-CG 3.46Å; A34-F124 VanDerWaalsContact CB-CG 3.46Å; V41-F124 HydrophobicContact CB-CE2 3.84Å; V41-F124 HydrophobicContact CB-CZ 4.26Å; V41-F124 HydrophobicContact CG2-CE2 3.32Å; V41-F124 HydrophobicContact CG2-CZ 3.31Å; I51-F124 HydrophobicContact CB-CE1 4.29Å; I51-F124 HydrophobicContact CB-CE2 4.23Å; I51-F124 HydrophobicContact CB-CZ 3.67Å; I51-F124 HydrophobicContact CG2-CD1 4.38Å; I51-F124 HydrophobicContact CG2-CD2 4.15Å; I51-F124 HydrophobicContact CG2-CE1 3.78Å; I51-F124 HydrophobicContact CG2-CE2 3.47Å; I51-F124 VanDerWaalsContact CG2-CE2 3.47Å; I51-F124 HydrophobicContact CG2-CZ 3.25Å; V55-F124 HydrophobicContact CG2-CD1 4.38Å; M122-F124 VanDerWaalsContact C-N 3.28Å; M122-F124 PolarHBondContact O-N 3.4Å |
| 125 | L | 60.3 | Low | 76.3 | Confident | 75 Ų | 75 | 45.7 Ų | 45.7 | 39% | 0.393 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -17.8 | 175.6 | -70.6 | -177.9 | 0 | 0 | 0 | 113.9 | V41 R42 D123 | V41-L125 HydrophobicContact CB-CD1 3.96Å; V41-L125 HydrophobicContact CB-CD2 3.82Å; V41-L125 HydrophobicContact CB-CG 4.1Å; V41-L125 HydrophobicContact CG1-CD1 3.73Å; V41-L125 HydrophobicContact CG1-CG 4.38Å; R42-L125 HydrophobicContact CB-CD2 4.21Å; D123-L125 PolarHBondContact O-N 3.48Å |
| 126 | Q | 64.3 | Low | 75.9 | Confident | 78 Ų | 78 | 50.1 Ų | 50.1 | 36% | 0.364 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -87.4 | 133.4 | -176.2 | -58.8 | -62.3 | -32.2 | 0 | 0 | 110.8 | D123 Y198 L201 | D123-Q126 PolarHBondContact O-N 3.18Å; Q126-Y198 HydrophobicContact CG-CD2 4.43Å; Q126-L201 HydrophobicContact CB-CD1 3.64Å; Q126-L201 HydrophobicContact CG-CD1 3.88Å |
| 127 | E | 65.2 | Low | 75.6 | Confident | 138 Ų | 138 | 48.6 Ų | 48.6 | 65% | 0.645 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -111.9 | 146.3 | 168.2 | -73.6 | -164.2 | 162.2 | 0 | 0 | 110.2 | R35 | R35-E127 WeakPolarHBondContact CD-OE1 3.38Å; R35-E127 IonicContact CZ-OE1 3.8Å; R35-E127 IonicContact NE-OE1 2.78Å; R35-E127 PolarHBondContact NE-OE1 3.33Å; R35-E127 IonicContact NH2-OE1 2.84Å |
| 128 | P | 71.5 | Confident | 75.4 | Confident | 77 Ų | 77 | 48.3 Ų | 48.3 | 50% | 0.5 | 27% | 0.272 | S | S | . | . | S | Bend | cis | -78.1 | 158.4 | -2 | 30.4 | -31.6 | 0 | 0 | 0 | 113 | I130 P140 | P128-I130 WeakPolarHBondContact O-CG1 3.47Å; P128-I130 PolarHBondContact O-N 2.9Å; P128-P140 HydrophobicContact CB-CG 4.49Å; P128-P140 HydrophobicContact CG-CG 3.56Å |
| 129 | T | 75.7 | Confident | 75 | Confident | 30 Ų | 30 | 48.6 Ų | 48.6 | 18% | 0.184 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 121.1 | 167.1 | -64 | 0 | 0 | 0 | 0 | 109 | T27 L28 | T27-T129 HydrophobicContact CG2-CG2 4.29Å; L28-T129 HydrophobicContact CD2-CG2 3.79Å |
| 130 | I | 80.5 | Confident | 74.6 | Confident | 35 Ų | 35 | 50.8 Ų | 50.8 | 18% | 0.179 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -98.6 | 138 | 179.4 | -49.8 | -160.7 | 0 | 0 | 0 | 109.8 | P128 N139 L201 L204 I228 | P128-I130 WeakPolarHBondContact O-CG1 3.47Å; P128-I130 PolarHBondContact O-N 2.9Å; I130-N139 VanDerWaalsContact CA-O 3.26Å; I130-N139 WeakPolarHBondContact CA-O 3.43Å; I130-N139 WeakPolarHBondContact CG2-O 3.17Å; I130-L201 HydrophobicContact CD1-CD2 3.32Å; I130-L201 HydrophobicContact CG1-CD2 4.01Å; I130-L204 HydrophobicContact CD1-CD2 4.11Å; I130-L204 HydrophobicContact CG2-CD2 4.48Å; I130-I228 HydrophobicContact CB-CD1 4.37Å; I130-I228 HydrophobicContact CG2-CD1 4.08Å; I130-I228 HydrophobicContact CG2-CG1 4.49Å; I130-I228 HydrophobicContact CG2-CG2 3.89Å |
| 131 | W | 83.2 | Confident | 74.3 | Confident | 24 Ų | 24 | 55.7 Ų | 55.7 | 9% | 0.091 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 152.6 | 168.8 | 61.2 | -82.8 | 0 | 0 | 0 | 109.4 | V24 L101 I133 C138 N139 | V24-W131 HydrophobicContact CG1-CD2 4.11Å; V24-W131 HydrophobicContact CG1-CG 4.39Å; V24-W131 HydrophobicContact CG1-CZ2 4.35Å; V24-W131 HydrophobicContact CG2-CD2 3.99Å; V24-W131 HydrophobicContact CG2-CE3 3.71Å; V24-W131 HydrophobicContact CG2-CG 4.46Å; V24-W131 HydrophobicContact CG2-CZ3 4.08Å; L101-W131 HydrophobicContact CB-CH2 3.72Å; L101-W131 HydrophobicContact CB-CZ2 4.15Å; L101-W131 HydrophobicContact CD1-CH2 3.88Å; L101-W131 HydrophobicContact CD1-CZ2 3.54Å; L101-W131 HydrophobicContact CG-CH2 4.4Å; L101-W131 HydrophobicContact CG-CZ2 4.49Å; W131-I133 HydrophobicContact CE3-CD1 4.44Å; W131-I133 HydrophobicContact CE3-CG1 4.37Å; W131-I133 HydrophobicContact CZ3-CD1 3.82Å; W131-I133 HydrophobicContact CZ3-CG1 4.18Å; W131-C138 CarbonylContact O-C 3.5Å; W131-C138 VanDerWaalsContact O-CA 3.28Å; W131-C138 WeakPolarHBondContact O-CA 3.13Å; W131-C138 WeakPolarHBondContact O-CB 3.27Å; W131-N139 HydrophobicContact CD2-CB 4.21Å; W131-N139 HydrophobicContact CG-CB 4.47Å; W131-N139 HydrophobicContact CZ2-CB 4.01Å; W131-N139 PolarHBondContact N-O 3.22Å; W131-N139 VanDerWaalsContact N-O 3.12Å; W131-N139 PolarHBondContact O-N 3.43Å |
| 132 | G | 82.2 | Confident | 74.3 | Confident | 18 Ų | 18 | 55.8 Ų | 55.8 | 19% | 0.186 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 158 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | G137 | G132-G137 WeakPolarHBondContact CA-O 3.49Å |
| 133 | I | 82.6 | Confident | 74.3 | Confident | 33 Ų | 33 | 55.2 Ų | 55.2 | 17% | 0.169 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 120.9 | 175.8 | -57.7 | 171.2 | 0 | 0 | 0 | 106.5 | V20 L105 W131 G135 Y136 G137 A231 | V20-I133 HydrophobicContact CG1-CD1 3.56Å; V20-I133 HydrophobicContact CG1-CG1 4.22Å; L105-I133 HydrophobicContact CD1-CD1 3.72Å; L105-I133 HydrophobicContact CD2-CD1 3.51Å; L105-I133 HydrophobicContact CD2-CG2 4.25Å; L105-I133 HydrophobicContact CG-CD1 4.14Å; W131-I133 HydrophobicContact CE3-CD1 4.44Å; W131-I133 HydrophobicContact CE3-CG1 4.37Å; W131-I133 HydrophobicContact CZ3-CD1 3.82Å; W131-I133 HydrophobicContact CZ3-CG1 4.18Å; I133-G135 PolarHBondContact O-N 3.15Å; I133-Y136 HydrophobicContact CB-CD2 4.41Å; I133-Y136 HydrophobicContact CG2-CD2 3.59Å; I133-Y136 HydrophobicContact CG2-CE2 4.36Å; I133-Y136 HydrophobicContact CG2-CG 4.19Å; I133-Y136 PolarHBondContact O-N 2.95Å; I133-G137 PolarHBondContact N-O 3.15Å; I133-G137 PolarHBondContact O-N 2.82Å; I133-A231 WeakPolarHBondContact O-CB 3.17Å |
| 134 | V | 83.7 | Confident | 74.2 | Confident | 73 Ų | 73 | 59 Ų | 59 | 44% | 0.442 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 129.6 | 179.2 | -176.2 | 0 | 0 | 0 | 0 | 109.4 | Y136 Q230 | V134-Y136 VanDerWaalsContact C-N 3.29Å; V134-Y136 PolarHBondContact O-N 2.99Å; V134-Q230 HydrophobicContact CG1-CB 4.15Å; V134-Q230 HydrophobicContact CG2-CB 3.76Å |
| 135 | G | 80.6 | Confident | 73.3 | Confident | 77 Ų | 77 | 63.1 Ų | 63.1 | 79% | 0.794 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.4 | -12.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | I133 | I133-G135 PolarHBondContact O-N 3.15Š|
| 136 | Y | 78.6 | Confident | 72.4 | Confident | 123 Ų | 123 | 63.1 Ų | 63.1 | 48% | 0.482 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114 | -19.3 | 179.1 | -70.4 | -94.9 | 0 | 0 | 0 | 113.8 | L105 T106 I133 V134 | L105-Y136 HydrophobicContact CD2-CD1 3.87Å; L105-Y136 HydrophobicContact CD2-CD2 4.05Å; L105-Y136 HydrophobicContact CD2-CE1 3.93Å; L105-Y136 HydrophobicContact CD2-CE2 4.1Å; L105-Y136 HydrophobicContact CD2-CG 3.93Å; T106-Y136 PolarHBondContact OG1-OH 3.45Å; T106-Y136 VanDerWaalsContact OG1-OH 3.11Å; I133-Y136 HydrophobicContact CB-CD2 4.41Å; I133-Y136 HydrophobicContact CG2-CD2 3.59Å; I133-Y136 HydrophobicContact CG2-CE2 4.36Å; I133-Y136 HydrophobicContact CG2-CG 4.19Å; I133-Y136 PolarHBondContact O-N 2.95Å; V134-Y136 VanDerWaalsContact C-N 3.29Å; V134-Y136 PolarHBondContact O-N 2.99Å |
| 137 | G | 79.8 | Confident | 71.3 | Confident | 10 Ų | 10 | 65.1 Ų | 65.1 | 10% | 0.103 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 104.9 | -173.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | G132 I133 T143 A231 | G132-G137 WeakPolarHBondContact CA-O 3.49Å; I133-G137 PolarHBondContact N-O 3.15Å; I133-G137 PolarHBondContact O-N 2.82Å; G137-T143 WeakPolarHBondContact CA-OG1 3.25Å; G137-A231 WeakPolarHBondContact CA-O 3.29Å |
| 138 | C | 82.7 | Confident | 70 | Confident | 13 Ų | 13 | 64.1 Ų | 64.1 | 9% | 0.088 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 160.4 | -177.7 | 50.3 | 0 | 0 | 0 | 0 | 113.5 | W131 P140 N141 C142 T143 A231 | W131-C138 CarbonylContact O-C 3.5Å; W131-C138 VanDerWaalsContact O-CA 3.28Å; W131-C138 WeakPolarHBondContact O-CA 3.13Å; W131-C138 WeakPolarHBondContact O-CB 3.27Å; C138-P140 CarbonylContact C-O 3.5Å; C138-P140 CarbonylContact O-C 3.56Å; C138-N141 WeakPolarHBondContact O-CA 3.3Å; C138-C142 HydrophobicContact CB-CB 4.3Å; C138-C142 WeakPolarHBondContact CB-SG 3.32Å; C138-C142 WeakPolarHBondContact SG-CA 3.36Å; C138-C142 WeakPolarHBondContact SG-CB 3.21Å; C138-C142 PolarHBondContact SG-N 3.33Å; C138-C142 VanDerWaalsContact SG-N 3.36Å; C138-C142 CovalentContact SG-SG 2Å; C138-C142 PolarHBondContact SG-SG 3.21Å; C138-T143 PolarHBondContact N-OG1 2.95Å; C138-T143 PolarHBondContact SG-N 2.93Å; C138-A231 HydrophobicContact CB-CB 4.39Å |
| 139 | N | 76.9 | Confident | 68.3 | Low | 43 Ų | 43 | 68.5 Ų | 68.5 | 23% | 0.23 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 133.1 | -177.8 | -175.4 | -27.3 | 0 | 0 | 0 | 111.2 | L101 I130 W131 | L101-N139 HydrophobicContact CD1-CB 4.39Å; L101-N139 WeakPolarHBondContact CD1-ND2 3.31Å; I130-N139 VanDerWaalsContact CA-O 3.26Å; I130-N139 WeakPolarHBondContact CA-O 3.43Å; I130-N139 WeakPolarHBondContact CG2-O 3.17Å; W131-N139 HydrophobicContact CD2-CB 4.21Å; W131-N139 HydrophobicContact CG-CB 4.47Å; W131-N139 HydrophobicContact CZ2-CB 4.01Å; W131-N139 PolarHBondContact N-O 3.22Å; W131-N139 VanDerWaalsContact N-O 3.12Å; W131-N139 PolarHBondContact O-N 3.43Å |
| 140 | P | 74.4 | Confident | 66.5 | Low | 52 Ų | 52 | 74.7 Ų | 74.7 | 34% | 0.338 | 43% | 0.431 | S | S | . | . | S | Bend | cis | -57.9 | 160.9 | -9.1 | 32 | -40.1 | 0 | 0 | 0 | 110 | P128 C138 C142 | P128-P140 HydrophobicContact CB-CG 4.49Å; P128-P140 HydrophobicContact CG-CG 3.56Å; C138-P140 CarbonylContact C-O 3.5Å; C138-P140 CarbonylContact O-C 3.56Å; P140-C142 VanDerWaalsContact C-N 3.33Å; P140-C142 PolarHBondContact O-N 3.32Å |
| 141 | N | 71.7 | Confident | 64.3 | Low | 122 Ų | 122 | 77.6 Ų | 77.6 | 65% | 0.652 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -52.9 | 96.9 | -171.3 | -169.3 | 19.7 | 0 | 0 | 0 | 111.1 | C138 T143 | C138-N141 WeakPolarHBondContact O-CA 3.3Å; N141-T143 WeakPolarHBondContact OD1-CB 3.23Å; N141-T143 PolarHBondContact OD1-N 3.34Å; N141-T143 PolarHBondContact OD1-OG1 2.9Å; N141-T143 VanDerWaalsContact OD1-OG1 3.12Å |
| 142 | C | 71.6 | Confident | 62 | Low | 28 Ų | 28 | 81.4 Ų | 81.4 | 19% | 0.189 | 47% | 0.474 | C | S | . | . | trans | -104.5 | -2.3 | 176.5 | 86.3 | 0 | 0 | 0 | 0 | 110.3 | C138 P140 R144 L204 | C138-C142 HydrophobicContact CB-CB 4.3Å; C138-C142 WeakPolarHBondContact CB-SG 3.32Å; C138-C142 WeakPolarHBondContact SG-CA 3.36Å; C138-C142 WeakPolarHBondContact SG-CB 3.21Å; C138-C142 PolarHBondContact SG-N 3.33Å; C138-C142 VanDerWaalsContact SG-N 3.36Å; C138-C142 CovalentContact SG-SG 2Å; C138-C142 PolarHBondContact SG-SG 3.21Å; P140-C142 VanDerWaalsContact C-N 3.33Å; P140-C142 PolarHBondContact O-N 3.32Å; C142-R144 PolarHBondContact O-N 2.82Å; C142-L204 HydrophobicContact CB-CD1 4.5Å; C142-L204 HydrophobicContact CB-CD2 4.3Å; C142-L204 HydrophobicContact CB-CG 4.34Å | ||
| 143 | T | 64.9 | Low | 60.1 | Low | 32 Ų | 32 | 88.5 Ų | 88.5 | 20% | 0.196 | 51% | 0.507 | C | S | . | . | trans | -69.2 | 124.9 | 177.2 | -30.3 | 0 | 0 | 0 | 0 | 108.2 | G137 C138 N141 T145 | G137-T143 WeakPolarHBondContact CA-OG1 3.25Å; C138-T143 PolarHBondContact N-OG1 2.95Å; C138-T143 PolarHBondContact SG-N 2.93Å; N141-T143 WeakPolarHBondContact OD1-CB 3.23Å; N141-T143 PolarHBondContact OD1-N 3.34Å; N141-T143 PolarHBondContact OD1-OG1 2.9Å; N141-T143 VanDerWaalsContact OD1-OG1 3.12Å; T143-T145 HydrophobicContact CG2-CG2 3.83Å; T143-T145 PolarHBondContact O-N 3.42Å | ||
| 144 | R | 63.4 | Low | 58.5 | Low | 134 Ų | 134 | 88.2 Ų | 88.2 | 51% | 0.506 | 51% | 0.505 | S | S | . | . | trans | -75.5 | 46 | 171 | -120.2 | -170 | 88.4 | 132.2 | 2.3 | 111.3 | C142 G146 Q147 A232 | C142-R144 PolarHBondContact O-N 2.82Å; R144-G146 PolarHBondContact O-N 3.46Å; R144-Q147 PolarHBondContact O-N 3.12Å; R144-A232 PolarHBondContact N-O 3.28Å | ||
| 145 | T | 45.1 | Very low | 56.9 | Low | 111 Ų | 111 | 90.2 Ų | 90.2 | 68% | 0.681 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 100.7 | 176.2 | 37.3 | 0 | 0 | 0 | 0 | 108.9 | T143 | T143-T145 HydrophobicContact CG2-CG2 3.83Å; T143-T145 PolarHBondContact O-N 3.42Å |
| 146 | G | 42.7 | Very low | 55.6 | Low | 74 Ų | 74 | 93.8 Ų | 93.8 | 76% | 0.763 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 159.3 | -35.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | R144 | R144-G146 PolarHBondContact O-N 3.46Š|
| 147 | Q | 41.2 | Very low | 54.5 | Low | 120 Ų | 120 | 92.7 Ų | 92.7 | 56% | 0.561 | 52% | 0.519 | S | S | * | . | trans | -145.3 | 35.3 | -173.7 | -66 | -173 | -8.7 | 0 | 0 | 115.3 | R144 K149 | R144-Q147 PolarHBondContact O-N 3.12Å; Q147-K149 PolarHBondContact O-N 2.91Å | ||
| 148 | S | 38 | Very low | 53.8 | Low | 118 Ų | 118 | 94.8 Ų | 94.8 | 83% | 0.825 | 53% | 0.532 | S | S | * | . | trans | -76.3 | 60 | 163.5 | -177 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 149 | K | 35.8 | Very low | 53.1 | Low | 169 Ų | 169 | 96.9 Ų | 96.9 | 74% | 0.735 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -91.6 | 127.6 | 147 | -144.3 | 174.8 | -173.7 | -178.5 | 0 | 102.4 | Q147 L151 | Q147-K149 PolarHBondContact O-N 2.91Å; K149-L151 PolarHBondContact O-N 3.04Å |
| 150 | L | 36.3 | Very low | 52.6 | Low | 159 Ų | 159 | 96 Ų | 96 | 83% | 0.832 | 54% | 0.535 | S | S | * | . | trans | -43 | 105 | 157 | -70 | 161.4 | 0 | 0 | 0 | 105 | P152 | L150-P152 WeakPolarHBondContact O-CD 3.5Š| ||
| 151 | L | 36 | Very low | 52.3 | Low | 97 Ų | 97 | 96.4 Ų | 96.4 | 51% | 0.508 | 54% | 0.539 | S | S | . | . | trans | -65.1 | 115.9 | -179.7 | -71.5 | 174 | 0 | 0 | 0 | 103.1 | K149 L153 E154 | K149-L151 PolarHBondContact O-N 3.04Å; L151-L153 PolarHBondContact O-N 2.88Å; L151-E154 HydrophobicContact CB-CG 3.67Å; L151-E154 HydrophobicContact CD1-CG 4.08Å; L151-E154 WeakPolarHBondContact CD1-OE1 3.45Å | ||
| 152 | P | 33.2 | Very low | 52.5 | Low | 103 Ų | 103 | 98.6 Ų | 98.6 | 67% | 0.669 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -49.9 | 135.8 | 171.6 | -19 | 30.7 | 0 | 0 | 0 | 106.3 | L150 E154 | L150-P152 WeakPolarHBondContact O-CD 3.5Å; P152-E154 VanDerWaalsContact C-N 3.34Å; P152-E154 WeakPolarHBondContact O-CA 3.15Å; P152-E154 PolarHBondContact O-N 2.94Å |
| 153 | L | 43.7 | Very low | 53.2 | Low | 167 Ų | 167 | 103.2 Ų | 103.2 | 87% | 0.874 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -13.6 | 95.9 | 177.8 | -72.3 | 168.3 | 0 | 0 | 0 | 109.3 | L151 D155 | L151-L153 PolarHBondContact O-N 2.88Å; L153-D155 PolarHBondContact O-N 3.22Å |
| 154 | E | 47.6 | Very low | 54.4 | Low | 28 Ų | 28 | 102.3 Ų | 102.3 | 13% | 0.131 | 56% | 0.561 | C | S | . | * | trans | -49.2 | 135.8 | -157.2 | -76.4 | 149.3 | 155.9 | 0 | 0 | 109.9 | L151 P152 E156 S158 Y159 H264 | L151-E154 HydrophobicContact CB-CG 3.67Å; L151-E154 HydrophobicContact CD1-CG 4.08Å; L151-E154 WeakPolarHBondContact CD1-OE1 3.45Å; P152-E154 VanDerWaalsContact C-N 3.34Å; P152-E154 WeakPolarHBondContact O-CA 3.15Å; P152-E154 PolarHBondContact O-N 2.94Å; E154-E156 PolarHBondContact O-N 2.96Å; E154-S158 WeakPolarHBondContact CB-OG 3.26Å; E154-Y159 HydrophobicContact CB-CE1 4Å; E154-Y159 PolarHBondContact O-OH 2.97Å; E154-H264 IonicContact OE1-CD2 3.32Å; E154-H264 PolarHBondContact OE1-CD2 3.39Å; E154-H264 IonicContact OE1-CG 3.63Å; E154-H264 IonicContact OE1-NE2 3.62Å; E154-H264 VanDerWaalsContact OE2-CA 3.25Å; E154-H264 WeakPolarHBondContact OE2-CA 3.48Å; E154-H264 IonicContact OE2-CD2 3.79Å; E154-H264 PolarHBondContact OE2-CD2 3.34Å; E154-H264 IonicContact OE2-CG 3.03Å; E154-H264 IonicContact OE2-NE2 2.65Å | ||
| 155 | D | 51.3 | Low | 55.9 | Low | 114 Ų | 114 | 97 Ų | 97 | 61% | 0.61 | 54% | 0.543 | S | S | * | . | trans | -49.4 | 127.7 | 169.3 | 174.9 | 17 | 0 | 0 | 0 | 107.3 | L153 S157 S158 | L153-D155 PolarHBondContact O-N 3.22Å; D155-S157 PolarHBondContact O-N 3.22Å; D155-S157 PolarHBondContact OD2-OG 3.45Å; D155-S158 PolarHBondContact O-N 3.46Å; D155-S158 PolarHBondContact O-OG 2.68Å; D155-S158 VanDerWaalsContact O-OG 3.08Å | ||
| 156 | E | 53.1 | Low | 58.4 | Low | 153 Ų | 153 | 91.7 Ų | 91.7 | 72% | 0.715 | 51% | 0.51 | S | S | * | . | G | 310 helix | trans | -55.6 | -24 | -173.4 | -64 | -138.6 | 134.6 | 0 | 0 | 112.3 | E154 S158 Y159 | E154-E156 PolarHBondContact O-N 2.96Å; E156-S158 PolarHBondContact O-N 3.03Å; E156-Y159 HydrophobicContact CB-CD2 3.76Å; E156-Y159 HydrophobicContact CB-CE2 3.8Å; E156-Y159 HydrophobicContact CG-CD2 4.02Å; E156-Y159 HydrophobicContact CG-CE2 3.55Å; E156-Y159 WeakPolarHBondContact O-CB 3.46Å; E156-Y159 WeakPolarHBondContact O-CD2 3.34Å; E156-Y159 PolarHBondContact O-N 3.49Å; E156-Y159 VanDerWaalsContact O-N 3.16Å |
| 157 | S | 54.7 | Low | 61 | Low | 99 Ų | 99 | 88.1 Ų | 88.1 | 69% | 0.692 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -60.4 | -21.9 | 174.3 | 82.1 | 0 | 0 | 0 | 0 | 114.4 | D155 | D155-S157 PolarHBondContact O-N 3.22Å; D155-S157 PolarHBondContact OD2-OG 3.45Å |
| 158 | S | 66.2 | Low | 63.6 | Low | 55 Ų | 55 | 82.4 Ų | 82.4 | 39% | 0.385 | 45% | 0.447 | S | S | . | . | G | 310 helix | trans | -94.3 | -8.8 | 176.9 | 76.8 | 0 | 0 | 0 | 0 | 114.1 | E154 D155 E156 H264 | E154-S158 WeakPolarHBondContact CB-OG 3.26Å; D155-S158 PolarHBondContact O-N 3.46Å; D155-S158 PolarHBondContact O-OG 2.68Å; D155-S158 VanDerWaalsContact O-OG 3.08Å; E156-S158 PolarHBondContact O-N 3.03Å; S158-H264 PolarHBondContact O-CE1 3.14Å; S158-H264 PolarHBondContact O-NE2 3.16Å |
| 159 | Y | 67.1 | Low | 66.2 | Low | 56 Ų | 56 | 77.3 Ų | 77.3 | 22% | 0.22 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -56.6 | 149.6 | 179 | -74.1 | -42.8 | 0 | 0 | 0 | 111.3 | E154 E156 S161 H264 Y267 | E154-Y159 HydrophobicContact CB-CE1 4Å; E154-Y159 PolarHBondContact O-OH 2.97Å; E156-Y159 HydrophobicContact CB-CD2 3.76Å; E156-Y159 HydrophobicContact CB-CE2 3.8Å; E156-Y159 HydrophobicContact CG-CD2 4.02Å; E156-Y159 HydrophobicContact CG-CE2 3.55Å; E156-Y159 WeakPolarHBondContact O-CB 3.46Å; E156-Y159 WeakPolarHBondContact O-CD2 3.34Å; E156-Y159 PolarHBondContact O-N 3.49Å; E156-Y159 VanDerWaalsContact O-N 3.16Å; Y159-S161 PolarHBondContact O-N 3.43Å; Y159-H264 AromaticContact CD1-CD2 3.73Å; Y159-Y267 HydrophobicContact CD1-CD1 4.11Å; Y159-Y267 AromaticContact CD1-CD2 3.5Å; Y159-Y267 HydrophobicContact CD1-CD2 3.5Å; Y159-Y267 VanDerWaalsContact CD1-CD2 3.5Å; Y159-Y267 HydrophobicContact CD1-CE2 4.04Å; Y159-Y267 AromaticContact CD1-CG 3.53Å; Y159-Y267 HydrophobicContact CD1-CG 3.53Å; Y159-Y267 HydrophobicContact CD2-CD2 4Å; Y159-Y267 AromaticContact CD2-CE2 3.97Å; Y159-Y267 HydrophobicContact CD2-CE2 3.97Å; Y159-Y267 AromaticContact CE1-CD2 3.48Å; Y159-Y267 HydrophobicContact CE1-CD2 3.48Å; Y159-Y267 VanDerWaalsContact CE1-CD2 3.48Å; Y159-Y267 HydrophobicContact CE1-CE2 4.37Å; Y159-Y267 AromaticContact CE1-CG 3.62Å; Y159-Y267 HydrophobicContact CE1-CG 3.62Å; Y159-Y267 AromaticContact CE2-CD2 3.92Å; Y159-Y267 HydrophobicContact CE2-CD2 3.92Å; Y159-Y267 HydrophobicContact CE2-CE2 4.23Å; Y159-Y267 AromaticContact CG-CD2 3.83Å; Y159-Y267 HydrophobicContact CG-CD2 3.83Å; Y159-Y267 AromaticContact CG-CE2 3.91Å; Y159-Y267 HydrophobicContact CG-CE2 3.91Å; Y159-Y267 HydrophobicContact CG-CG 4.24Å; Y159-Y267 AromaticContact CZ-CD2 3.72Å |
| 160 | P | 67.3 | Low | 68.6 | Low | 25 Ų | 25 | 73.9 Ų | 73.9 | 16% | 0.162 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -50.2 | 144.1 | 177.4 | -21.9 | 29.4 | 0 | 0 | 0 | 111 | W188 H264 Y267 Y268 | P160-W188 HydrophobicContact CB-CH2 4.46Å; P160-W188 HydrophobicContact CB-CZ2 4.42Å; P160-H264 HydrophobicContact CG-CB 4.39Å; P160-Y267 HydrophobicContact CG-CD1 4.48Å; P160-Y267 HydrophobicContact CG-CE1 4.32Å; P160-Y268 HydrophobicContact CG-CE1 3.91Å; P160-Y268 WeakPolarHBondContact CG-OH 3.44Å |
| 161 | S | 67.5 | Low | 70.9 | Confident | 60 Ų | 60 | 70.4 Ų | 70.4 | 42% | 0.42 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -50.5 | 164.9 | 177 | 42.8 | 0 | 0 | 0 | 0 | 112.7 | Y159 H163 | Y159-S161 PolarHBondContact O-N 3.43Å; S161-H163 VanDerWaalsContact CB-CE1 3.42Å; S161-H163 WeakPolarHBondContact CB-CE1 3.45Å; S161-H163 PolarHBondContact O-N 3.17Å; S161-H163 PolarHBondContact OG-CD2 2.99Å; S161-H163 PolarHBondContact OG-CE1 3.46Å; S161-H163 VanDerWaalsContact OG-CE1 3.31Å; S161-H163 PolarHBondContact OG-NE2 3.4Å; S161-H163 PolarHBondContact OG-O 3.03Å |
| 162 | E | 76.5 | Confident | 73 | Confident | 169 Ų | 169 | 68.3 Ų | 68.3 | 79% | 0.79 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -56.4 | -5.6 | 176.7 | -66.2 | -168.6 | 163.8 | 0 | 0 | 114.5 | Q187 | E162-Q187 WeakPolarHBondContact O-CB 3.43Š|
| 163 | H | 84.5 | Confident | 75.2 | Confident | 124 Ų | 124 | 64 Ų | 64 | 57% | 0.574 | 36% | 0.362 | S | S | * | . | trans | -123.7 | 142.2 | 175.3 | 52.9 | -89 | 0 | 0 | 0 | 110.4 | S161 | S161-H163 VanDerWaalsContact CB-CE1 3.42Å; S161-H163 WeakPolarHBondContact CB-CE1 3.45Å; S161-H163 PolarHBondContact O-N 3.17Å; S161-H163 PolarHBondContact OG-CD2 2.99Å; S161-H163 PolarHBondContact OG-CE1 3.46Å; S161-H163 VanDerWaalsContact OG-CE1 3.31Å; S161-H163 PolarHBondContact OG-NE2 3.4Å; S161-H163 PolarHBondContact OG-O 3.03Å | ||
| 164 | G | 91.7 | Very high | 77 | Confident | 13 Ų | 13 | 58.5 Ų | 58.5 | 13% | 0.134 | 35% | 0.345 | C | S | . | . | trans | -159.2 | 174.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | K189 N209 | G164-K189 PolarHBondContact O-N 2Å; G164-N209 WeakPolarHBondContact CA-OD1 3.2Å | ||
| 165 | L | 94.9 | Very high | 79 | Confident | 22 Ų | 22 | 59 Ų | 59 | 12% | 0.115 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 116.5 | 177.3 | 179.2 | 62 | 0 | 0 | 0 | 110.9 | L167 K189 E191 S207 A208 N209 | L165-L167 HydrophobicContact CD2-CD2 4.44Å; L165-L167 HydrophobicContact CG-CD2 4.39Å; L165-K189 WeakPolarHBondContact CA-O 3.38Å; L165-K189 HydrophobicContact CD1-CB 3.84Å; L165-K189 HydrophobicContact CD1-CD 3.89Å; L165-K189 HydrophobicContact CD1-CG 3.7Å; L165-K189 WeakPolarHBondContact CD1-O 3.32Å; L165-E191 HydrophobicContact CD1-CB 3.72Å; L165-S207 VanDerWaalsContact CD2-O 3.31Å; L165-S207 WeakPolarHBondContact CD2-O 3.12Å; L165-A208 HydrophobicContact CD2-CB 4.01Å; L165-A208 HydrophobicContact CG-CB 4.14Å; L165-N209 PolarHBondContact N-OD1 2.92Å; L165-N209 WeakPolarHBondContact O-CB 3.13Å; L165-N209 PolarHBondContact O-N 2.49Å |
| 166 | A | 96.7 | Very high | 81 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 133.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | I180 K189 I190 E191 F210 | A166-I180 HydrophobicContact CB-CD1 3.64Å; A166-I180 HydrophobicContact CB-CG1 4.19Å; A166-I180 HydrophobicContact CB-CG2 3.86Å; A166-K189 PolarHBondContact N-O 3.41Å; A166-I190 WeakPolarHBondContact O-CA 3.48Å; A166-E191 PolarHBondContact O-N 3.14Å; A166-F210 HydrophobicContact CB-CD2 4.21Å; A166-F210 HydrophobicContact CB-CE1 4.01Å; A166-F210 HydrophobicContact CB-CE2 3.55Å; A166-F210 HydrophobicContact CB-CZ 3.43Å; A166-F210 VanDerWaalsContact CB-CZ 3.43Å |
| 167 | L | 96.8 | Very high | 82.9 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 140.8 | 172.7 | -56.4 | 179.3 | 0 | 0 | 0 | 110.2 | L165 E191 K199 R202 V203 A208 F210 Y211 V212 | L165-L167 HydrophobicContact CD2-CD2 4.44Å; L165-L167 HydrophobicContact CG-CD2 4.39Å; L167-E191 WeakPolarHBondContact CA-O 3.42Å; L167-E191 HydrophobicContact CD2-CB 3.87Å; L167-E191 HydrophobicContact CD2-CG 4.15Å; L167-K199 HydrophobicContact CB-CD 4.15Å; L167-K199 HydrophobicContact CB-CG 4.18Å; L167-K199 HydrophobicContact CD1-CB 4.05Å; L167-K199 HydrophobicContact CD1-CG 4.12Å; L167-K199 WeakPolarHBondContact CD1-O 3.2Å; L167-R202 HydrophobicContact CD1-CB 3.47Å; L167-R202 VanDerWaalsContact CD1-CB 3.47Å; L167-R202 HydrophobicContact CD1-CG 4.23Å; L167-V203 HydrophobicContact CD1-CG2 4.23Å; L167-A208 HydrophobicContact CD1-CB 3.66Å; L167-A208 HydrophobicContact CD2-CB 4.05Å; L167-A208 HydrophobicContact CG-CB 3.64Å; L167-F210 PolarHBondContact N-O 2.87Å; L167-Y211 HydrophobicContact CB-CD2 4.24Å; L167-Y211 HydrophobicContact CB-CG 4.48Å; L167-Y211 WeakPolarHBondContact O-CD2 3.27Å; L167-V212 PolarHBondContact O-N 2.91Å; L167-V212 VanDerWaalsContact O-N 3.11Å |
| 168 | I | 96.4 | Very high | 84.7 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 162.7 | 169.4 | 64.2 | 175.4 | 0 | 0 | 0 | 110.2 | A176 I180 I190 E191 R192 V193 V212 | I168-A176 HydrophobicContact CB-CB 4.3Å; I168-A176 HydrophobicContact CG2-CB 3.73Å; I168-I180 HydrophobicContact CG2-CD1 3.41Å; I168-I180 VanDerWaalsContact CG2-CD1 3.41Å; I168-I190 HydrophobicContact CD1-CG2 3.6Å; I168-I190 HydrophobicContact CG1-CG2 3.89Å; I168-E191 PolarHBondContact N-O 2.89Å; I168-R192 HydrophobicContact CD1-CG 3.7Å; I168-R192 HydrophobicContact CG1-CB 4.49Å; I168-R192 HydrophobicContact CG1-CG 3.62Å; I168-V193 PolarHBondContact O-N 3.28Å; I168-V193 VanDerWaalsContact O-N 3.12Å; I168-V212 HydrophobicContact CG2-CG1 3.72Å |
| 169 | A | 92.1 | Very high | 86 | Confident | 10 Ų | 10 | 44.4 Ų | 44.4 | 8% | 0.083 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 138.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | S171 S173 | A169-S171 VanDerWaalsContact C-N 3.27Å; A169-S171 WeakPolarHBondContact CB-O 3.45Å; A169-S171 PolarHBondContact O-N 3.08Å; A169-S173 WeakPolarHBondContact O-CB 3.45Å; A169-S173 PolarHBondContact O-OG 3.43Å |
| 170 | Q | 88 | Confident | 87.3 | Confident | 97 Ų | 97 | 41.7 Ų | 41.7 | 45% | 0.453 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -60.4 | -37.8 | 176.9 | 178 | 64.6 | 34 | 0 | 0 | 112.7 | R192 V193 N194 | Q170-R192 VanDerWaalsContact OE1-C 3.28Å; Q170-R192 PolarHBondContact OE1-O 3.36Å; Q170-V193 PolarHBondContact N-O 3.15Å; Q170-N194 WeakPolarHBondContact CB-OD1 3.35Å |
| 171 | S | 84.5 | Confident | 88.6 | Confident | 86 Ų | 86 | 42.5 Ų | 42.5 | 60% | 0.601 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -128.6 | 153.6 | 173.5 | 58.5 | 0 | 0 | 0 | 0 | 108.8 | A169 S173 | A169-S171 VanDerWaalsContact C-N 3.27Å; A169-S171 WeakPolarHBondContact CB-O 3.45Å; A169-S171 PolarHBondContact O-N 3.08Å; S171-S173 PolarHBondContact O-N 2.75Å |
| 172 | G | 80 | Confident | 89.9 | Confident | 53 Ų | 53 | 43.8 Ų | 43.8 | 55% | 0.546 | 27% | 0.272 | S | S | . | . | S | Bend | trans | 65.9 | 22.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | G174 H213 V215 | G172-G174 PolarHBondContact O-N 2.9Å; G172-H213 PolarHBondContact O-CE1 3.02Å; G172-V215 WeakPolarHBondContact O-CG2 3.49Å |
| 173 | S | 77.8 | Confident | 90.7 | Very high | 14 Ų | 14 | 36 Ų | 36 | 10% | 0.098 | 24% | 0.236 | C | C | . | . | trans | -78.3 | 1.2 | 175.2 | 32.4 | 0 | 0 | 0 | 0 | 114 | A169 S171 S175 A176 T214 | A169-S173 WeakPolarHBondContact O-CB 3.45Å; A169-S173 PolarHBondContact O-OG 3.43Å; S171-S173 PolarHBondContact O-N 2.75Å; S173-S175 PolarHBondContact O-N 3Å; S173-A176 WeakPolarHBondContact O-CB 3.25Å; S173-A176 PolarHBondContact O-N 3.32Å; S173-T214 PolarHBondContact O-OG1 3.31Å | ||
| 174 | G | 82 | Confident | 91.2 | Very high | 50 Ų | 50 | 31 Ų | 31 | 52% | 0.515 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | -134.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | G172 A176 | G172-G174 PolarHBondContact O-N 2.9Å; G174-A176 VanDerWaalsContact C-N 3.31Å; G174-A176 PolarHBondContact O-N 3.38Å |
| 175 | S | 89.7 | Confident | 91.2 | Very high | 39 Ų | 39 | 31.7 Ų | 31.7 | 27% | 0.273 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 14.1 | 175.8 | 52.2 | 0 | 0 | 0 | 0 | 114.3 | S173 G177 E178 I179 | S173-S175 PolarHBondContact O-N 3Å; S175-G177 PolarHBondContact O-N 3.14Å; S175-G177 VanDerWaalsContact O-N 3.16Å; S175-E178 VanDerWaalsContact C-OE2 3.23Å; S175-E178 WeakPolarHBondContact CA-OE2 3.01Å; S175-E178 PolarHBondContact O-N 3Å; S175-I179 WeakPolarHBondContact O-CB 3.11Å; S175-I179 WeakPolarHBondContact O-CD1 3.3Å; S175-I179 VanDerWaalsContact O-CG1 3.26Å; S175-I179 WeakPolarHBondContact O-CG1 3.49Å; S175-I179 PolarHBondContact O-N 3.01Å; S175-I179 VanDerWaalsContact OG-CD1 3.26Å; S175-I179 WeakPolarHBondContact OG-CD1 3.48Å |
| 176 | A | 92.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.9 | -35.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I168 S173 G174 I179 I180 V212 T214 | I168-A176 HydrophobicContact CB-CB 4.3Å; I168-A176 HydrophobicContact CG2-CB 3.73Å; S173-A176 WeakPolarHBondContact O-CB 3.25Å; S173-A176 PolarHBondContact O-N 3.32Å; G174-A176 VanDerWaalsContact C-N 3.31Å; G174-A176 PolarHBondContact O-N 3.38Å; A176-I179 PolarHBondContact O-N 3.16Å; A176-I180 VanDerWaalsContact O-CD1 3.31Å; A176-I180 WeakPolarHBondContact O-CD1 3.29Å; A176-I180 WeakPolarHBondContact O-CG1 3.36Å; A176-I180 PolarHBondContact O-N 2.82Å; A176-V212 HydrophobicContact CB-CG1 4.38Å; A176-T214 HydrophobicContact CB-CG2 3.84Å; A176-T214 PolarHBondContact N-OG1 3.3Å |
| 177 | G | 93.5 | Very high | 90.4 | Very high | 7 Ų | 7 | 47.7 Ų | 47.7 | 7% | 0.072 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66 | -46.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | S175 I179 I180 A181 I190 | S175-G177 PolarHBondContact O-N 3.14Å; S175-G177 VanDerWaalsContact O-N 3.16Å; G177-I179 VanDerWaalsContact C-N 3.31Å; G177-I180 PolarHBondContact O-N 3.04Å; G177-A181 WeakPolarHBondContact O-CB 3.34Å; G177-A181 PolarHBondContact O-N 3.25Å; G177-I190 VanDerWaalsContact O-CD1 3.28Å; G177-I190 WeakPolarHBondContact O-CD1 3.16Å |
| 178 | E | 92.8 | Very high | 90.3 | Very high | 106 Ų | 106 | 48.5 Ų | 48.5 | 50% | 0.495 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.3 | -38.7 | 176.5 | -63.5 | 76.2 | -163.7 | 0 | 0 | 111.3 | S175 A181 S182 | S175-E178 VanDerWaalsContact C-OE2 3.23Å; S175-E178 WeakPolarHBondContact CA-OE2 3.01Å; S175-E178 PolarHBondContact O-N 3Å; E178-A181 PolarHBondContact O-N 2.82Å; E178-S182 WeakPolarHBondContact O-CB 3.26Å; E178-S182 PolarHBondContact O-N 2.87Å; E178-S182 PolarHBondContact O-OG 2.85Å |
| 179 | I | 94.2 | Very high | 90.3 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.2 | -50.2 | 177.3 | -71.5 | 160.3 | 0 | 0 | 0 | 110.8 | S175 A176 G177 A181 S182 A183 T214 I272 V275 L276 V279 | S175-I179 WeakPolarHBondContact O-CB 3.11Å; S175-I179 WeakPolarHBondContact O-CD1 3.3Å; S175-I179 VanDerWaalsContact O-CG1 3.26Å; S175-I179 WeakPolarHBondContact O-CG1 3.49Å; S175-I179 PolarHBondContact O-N 3.01Å; S175-I179 VanDerWaalsContact OG-CD1 3.26Å; S175-I179 WeakPolarHBondContact OG-CD1 3.48Å; A176-I179 PolarHBondContact O-N 3.16Å; G177-I179 VanDerWaalsContact C-N 3.31Å; I179-A181 PolarHBondContact O-N 2.96Å; I179-S182 PolarHBondContact O-N 3.31Å; I179-A183 VanDerWaalsContact O-CB 3.23Å; I179-A183 WeakPolarHBondContact O-CB 3.39Å; I179-A183 PolarHBondContact O-N 3.43Å; I179-T214 HydrophobicContact CD1-CG2 3.85Å; I179-I272 HydrophobicContact CG2-CB 4.46Å; I179-I272 HydrophobicContact CG2-CG1 4.37Å; I179-I272 HydrophobicContact CG2-CG2 3.83Å; I179-V275 HydrophobicContact CB-CG1 4.29Å; I179-V275 HydrophobicContact CG1-CG1 4.13Å; I179-V275 HydrophobicContact CG2-CB 4.31Å; I179-V275 HydrophobicContact CG2-CG1 4.23Å; I179-L276 HydrophobicContact CD1-CD2 3.34Å; I179-L276 HydrophobicContact CD1-CG 3.96Å; I179-L276 HydrophobicContact CG1-CD2 4.41Å; I179-L276 HydrophobicContact CG2-CG 4.4Å; I179-V279 HydrophobicContact CG1-CG2 4.36Å |
| 180 | I | 94.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.1 | -46.6 | 178.6 | -65.4 | 157 | 0 | 0 | 0 | 110.6 | A166 I168 A176 G177 S182 A183 F184 I190 F210 V212 | A166-I180 HydrophobicContact CB-CD1 3.64Å; A166-I180 HydrophobicContact CB-CG1 4.19Å; A166-I180 HydrophobicContact CB-CG2 3.86Å; I168-I180 HydrophobicContact CG2-CD1 3.41Å; I168-I180 VanDerWaalsContact CG2-CD1 3.41Å; A176-I180 VanDerWaalsContact O-CD1 3.31Å; A176-I180 WeakPolarHBondContact O-CD1 3.29Å; A176-I180 WeakPolarHBondContact O-CG1 3.36Å; A176-I180 PolarHBondContact O-N 2.82Å; G177-I180 PolarHBondContact O-N 3.04Å; I180-S182 PolarHBondContact O-N 3.31Å; I180-A183 PolarHBondContact O-N 2.89Å; I180-F184 HydrophobicContact CG2-CD2 3.95Å; I180-F184 WeakPolarHBondContact O-CD2 3.48Å; I180-F184 PolarHBondContact O-N 2.89Å; I180-I190 HydrophobicContact CB-CD1 3.89Å; I180-I190 HydrophobicContact CB-CG1 4.24Å; I180-I190 HydrophobicContact CD1-CG1 4.43Å; I180-I190 HydrophobicContact CD1-CG2 4.36Å; I180-I190 HydrophobicContact CG2-CD1 3.89Å; I180-I190 HydrophobicContact CG2-CG1 3.8Å; I180-F210 HydrophobicContact CD1-CE2 4.41Å; I180-F210 HydrophobicContact CG1-CE2 4.19Å; I180-F210 HydrophobicContact CG1-CZ 4.25Å; I180-F210 HydrophobicContact CG2-CZ 4.43Å; I180-V212 HydrophobicContact CD1-CG1 3.64Å; I180-V212 HydrophobicContact CG1-CG1 4.01Å |
| 181 | A | 93.7 | Very high | 90.8 | Very high | 42 Ų | 42 | 53.8 Ų | 53.8 | 35% | 0.347 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.6 | -34.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G177 E178 I179 G185 I190 | G177-A181 WeakPolarHBondContact O-CB 3.34Å; G177-A181 PolarHBondContact O-N 3.25Å; E178-A181 PolarHBondContact O-N 2.82Å; I179-A181 PolarHBondContact O-N 2.96Å; A181-G185 CarbonylContact O-C 3.57Å; A181-G185 WeakPolarHBondContact O-CA 3.41Å; A181-G185 PolarHBondContact O-N 2.62Å; A181-I190 HydrophobicContact CB-CD1 4.32Å |
| 182 | S | 94.3 | Very high | 91.3 | Very high | 86 Ų | 86 | 56 Ų | 56 | 60% | 0.601 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -78.1 | -39.2 | 177 | -54.7 | 0 | 0 | 0 | 0 | 112.4 | E178 I179 I180 | E178-S182 WeakPolarHBondContact O-CB 3.26Å; E178-S182 PolarHBondContact O-N 2.87Å; E178-S182 PolarHBondContact O-OG 2.85Å; I179-S182 PolarHBondContact O-N 3.31Å; I180-S182 PolarHBondContact O-N 3.31Å |
| 183 | A | 94.2 | Very high | 91.8 | Very high | 6 Ų | 6 | 54.6 Ų | 54.6 | 5% | 0.05 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -72.4 | -35.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | I179 I180 R271 I272 V275 | I179-A183 VanDerWaalsContact O-CB 3.23Å; I179-A183 WeakPolarHBondContact O-CB 3.39Å; I179-A183 PolarHBondContact O-N 3.43Å; I180-A183 PolarHBondContact O-N 2.89Å; A183-R271 HydrophobicContact CB-CB 4.32Å; A183-R271 VanDerWaalsContact CB-O 3.28Å; A183-R271 WeakPolarHBondContact CB-O 3.47Å; A183-R271 PolarHBondContact O-NE 3.31Å; A183-R271 VanDerWaalsContact O-NE 3.08Å; A183-R271 PolarHBondContact O-NH2 3.25Å; A183-I272 HydrophobicContact CB-CG1 4.29Å; A183-V275 HydrophobicContact CB-CG2 4.06Å |
| 184 | F | 93.7 | Very high | 92.2 | Very high | 18 Ų | 18 | 59.3 Ų | 59.3 | 8% | 0.079 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -122.4 | -9.7 | -171.5 | -57.8 | -81.2 | 0 | 0 | 0 | 114.5 | I180 W188 F210 Y267 Y268 R271 I272 | I180-F184 HydrophobicContact CG2-CD2 3.95Å; I180-F184 WeakPolarHBondContact O-CD2 3.48Å; I180-F184 PolarHBondContact O-N 2.89Å; F184-W188 HydrophobicContact CB-CB 4.12Å; F184-W188 VanDerWaalsContact CB-CD1 3.48Å; F184-W188 HydrophobicContact CB-CD2 3.62Å; F184-W188 HydrophobicContact CB-CE3 4.38Å; F184-W188 HydrophobicContact CB-CG 3.45Å; F184-W188 VanDerWaalsContact CB-CG 3.45Å; F184-W188 HydrophobicContact CD1-CD2 4.29Å; F184-W188 AromaticContact CD1-CE2 3.89Å; F184-W188 HydrophobicContact CD1-CH2 4.32Å; F184-W188 AromaticContact CD1-CZ2 3.9Å; F184-W188 HydrophobicContact CD1-CZ2 3.9Å; F184-W188 HydrophobicContact CE1-CZ2 4.47Å; F184-W188 AromaticContact CG-CD2 3.98Å; F184-W188 HydrophobicContact CG-CD2 3.98Å; F184-W188 HydrophobicContact CG-CE3 4.35Å; F184-W188 HydrophobicContact CG-CG 4.32Å; F184-W188 HydrophobicContact CG-CZ2 4.43Å; F184-W188 VanDerWaalsContact O-CD1 3.23Å; F184-F210 HydrophobicContact CD2-CE1 4.47Å; F184-F210 HydrophobicContact CD2-CZ 4.13Å; F184-F210 AromaticContact CE2-CE1 3.87Å; F184-F210 HydrophobicContact CE2-CE1 3.87Å; F184-F210 AromaticContact CE2-CZ 3.52Å; F184-F210 HydrophobicContact CE2-CZ 3.52Å; F184-F210 AromaticContact CZ-CE1 3.9Å; F184-F210 HydrophobicContact CZ-CE1 3.9Å; F184-F210 AromaticContact CZ-CZ 4Å; F184-F210 HydrophobicContact CZ-CZ 4Å; F184-Y267 HydrophobicContact CE1-CE1 4.05Å; F184-Y268 AromaticContact CE1-CD1 3.87Å; F184-Y268 HydrophobicContact CE1-CD1 3.87Å; F184-Y268 AromaticContact CZ-CD1 3.84Å; F184-Y268 HydrophobicContact CZ-CD1 3.84Å; F184-R271 HydrophobicContact CD1-CB 4.47Å; F184-R271 HydrophobicContact CE1-CB 3.71Å; F184-R271 HydrophobicContact CE1-CG 3.88Å; F184-R271 HydrophobicContact CE2-CB 4.41Å; F184-R271 HydrophobicContact CZ-CB 3.68Å; F184-R271 HydrophobicContact CZ-CG 4.33Å; F184-I272 HydrophobicContact CE2-CD1 3.92Å; F184-I272 HydrophobicContact CE2-CG1 3.71Å; F184-I272 HydrophobicContact CZ-CD1 4.27Å; F184-I272 HydrophobicContact CZ-CG1 4.14Å |
| 185 | G | 91.7 | Very high | 92.3 | Very high | 28 Ų | 28 | 57.9 Ų | 57.9 | 29% | 0.289 | 30% | 0.302 | S | S | . | . | trans | 83.9 | 176.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | A181 Q187 W188 | A181-G185 CarbonylContact O-C 3.57Å; A181-G185 WeakPolarHBondContact O-CA 3.41Å; A181-G185 PolarHBondContact O-N 2.62Å; G185-Q187 VanDerWaalsContact C-N 3.27Å; G185-Q187 PolarHBondContact O-N 3.12Å; G185-W188 PolarHBondContact O-N 3.19Å | ||
| 186 | K | 87.8 | Confident | 92.2 | Very high | 209 Ų | 209 | 57.8 Ų | 57.8 | 91% | 0.909 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -15.4 | -171.6 | -64 | -178 | -179.4 | 178.3 | 0 | 115 | W188 | K186-W188 PolarHBondContact O-N 3.36Š|
| 187 | Q | 88.6 | Confident | 91.9 | Very high | 149 Ų | 149 | 58.3 Ų | 58.3 | 70% | 0.696 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -18 | 179 | -61.2 | -62.9 | -7.5 | 0 | 0 | 112.1 | E162 G185 | E162-Q187 WeakPolarHBondContact O-CB 3.43Å; G185-Q187 VanDerWaalsContact C-N 3.27Å; G185-Q187 PolarHBondContact O-N 3.12Å |
| 188 | W | 93.9 | Very high | 91.6 | Very high | 17 Ų | 17 | 61 Ų | 61 | 6% | 0.064 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -77.2 | 128.9 | 174.9 | -80.7 | 63.9 | 0 | 0 | 0 | 110.9 | P160 F184 G185 K186 N209 F210 Y268 | P160-W188 HydrophobicContact CB-CH2 4.46Å; P160-W188 HydrophobicContact CB-CZ2 4.42Å; F184-W188 HydrophobicContact CB-CB 4.12Å; F184-W188 VanDerWaalsContact CB-CD1 3.48Å; F184-W188 HydrophobicContact CB-CD2 3.62Å; F184-W188 HydrophobicContact CB-CE3 4.38Å; F184-W188 HydrophobicContact CB-CG 3.45Å; F184-W188 VanDerWaalsContact CB-CG 3.45Å; F184-W188 HydrophobicContact CD1-CD2 4.29Å; F184-W188 AromaticContact CD1-CE2 3.89Å; F184-W188 HydrophobicContact CD1-CH2 4.32Å; F184-W188 AromaticContact CD1-CZ2 3.9Å; F184-W188 HydrophobicContact CD1-CZ2 3.9Å; F184-W188 HydrophobicContact CE1-CZ2 4.47Å; F184-W188 AromaticContact CG-CD2 3.98Å; F184-W188 HydrophobicContact CG-CD2 3.98Å; F184-W188 HydrophobicContact CG-CE3 4.35Å; F184-W188 HydrophobicContact CG-CG 4.32Å; F184-W188 HydrophobicContact CG-CZ2 4.43Å; F184-W188 VanDerWaalsContact O-CD1 3.23Å; G185-W188 PolarHBondContact O-N 3.19Å; K186-W188 PolarHBondContact O-N 3.36Å; W188-N209 HydrophobicContact CH2-CB 4.4Å; W188-N209 HydrophobicContact CZ3-CB 4.16Å; W188-F210 HydrophobicContact CE3-CE1 4.1Å; W188-F210 HydrophobicContact CH2-CE1 4.13Å; W188-F210 HydrophobicContact CZ3-CD1 4.07Å; W188-F210 AromaticContact CZ3-CE1 3.44Å; W188-F210 HydrophobicContact CZ3-CE1 3.44Å; W188-F210 VanDerWaalsContact CZ3-CE1 3.44Å; W188-F210 HydrophobicContact CZ3-CZ 4.37Å; W188-Y268 AromaticContact CH2-CE1 3.78Å; W188-Y268 HydrophobicContact CH2-CE1 3.78Å; W188-Y268 HydrophobicContact CZ3-CE1 4.45Å |
| 189 | K | 95.4 | Very high | 91.5 | Very high | 130 Ų | 130 | 56.3 Ų | 56.3 | 57% | 0.565 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 132.5 | 173.2 | -175.4 | 178.3 | 173.4 | -164.8 | 0 | 108.8 | G164 L165 A166 E191 | G164-K189 PolarHBondContact O-N 2Å; L165-K189 WeakPolarHBondContact CA-O 3.38Å; L165-K189 HydrophobicContact CD1-CB 3.84Å; L165-K189 HydrophobicContact CD1-CD 3.89Å; L165-K189 HydrophobicContact CD1-CG 3.7Å; L165-K189 WeakPolarHBondContact CD1-O 3.32Å; A166-K189 PolarHBondContact N-O 3.41Å; K189-E191 IonicContact NZ-OE2 3.98Å |
| 190 | I | 96.2 | Very high | 91.4 | Very high | 53 Ų | 53 | 56.6 Ų | 56.6 | 27% | 0.272 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 117.3 | 173 | -57.5 | 172 | 0 | 0 | 0 | 107.5 | A166 I168 G177 I180 A181 | A166-I190 WeakPolarHBondContact O-CA 3.48Å; I168-I190 HydrophobicContact CD1-CG2 3.6Å; I168-I190 HydrophobicContact CG1-CG2 3.89Å; G177-I190 VanDerWaalsContact O-CD1 3.28Å; G177-I190 WeakPolarHBondContact O-CD1 3.16Å; I180-I190 HydrophobicContact CB-CD1 3.89Å; I180-I190 HydrophobicContact CB-CG1 4.24Å; I180-I190 HydrophobicContact CD1-CG1 4.43Å; I180-I190 HydrophobicContact CD1-CG2 4.36Å; I180-I190 HydrophobicContact CG2-CD1 3.89Å; I180-I190 HydrophobicContact CG2-CG1 3.8Å; A181-I190 HydrophobicContact CB-CD1 4.32Å |
| 191 | E | 95.7 | Very high | 91.2 | Very high | 36 Ų | 36 | 58.8 Ų | 58.8 | 17% | 0.168 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 119.5 | 177.9 | 178.9 | 175.8 | 155.8 | 0 | 0 | 109.9 | L165 A166 L167 I168 K189 V193 R202 | L165-E191 HydrophobicContact CD1-CB 3.72Å; A166-E191 PolarHBondContact O-N 3.14Å; L167-E191 WeakPolarHBondContact CA-O 3.42Å; L167-E191 HydrophobicContact CD2-CB 3.87Å; L167-E191 HydrophobicContact CD2-CG 4.15Å; I168-E191 PolarHBondContact N-O 2.89Å; K189-E191 IonicContact NZ-OE2 3.98Å; E191-V193 HydrophobicContact CG-CG1 3.87Å; E191-R202 IonicContact OE1-CZ 3.53Å; E191-R202 IonicContact OE1-NH1 2.78Å; E191-R202 PolarHBondContact OE1-NH1 3.05Å; E191-R202 IonicContact OE1-NH2 3.47Å; E191-R202 PolarHBondContact OE1-NH2 3.44Å; E191-R202 IonicContact OE2-CZ 3.9Å; E191-R202 IonicContact OE2-NH1 3.8Å; E191-R202 IonicContact OE2-NH2 3.08Å; E191-R202 PolarHBondContact OE2-NH2 3.15Å; E191-R202 VanDerWaalsContact OE2-NH2 3.08Å |
| 192 | R | 95.6 | Very high | 91 | Very high | 132 Ų | 132 | 58.6 Ų | 58.6 | 50% | 0.498 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 117.4 | 178.5 | -73.8 | 179 | 177.7 | 172 | -0.7 | 108.5 | I168 Q170 | I168-R192 HydrophobicContact CD1-CG 3.7Å; I168-R192 HydrophobicContact CG1-CB 4.49Å; I168-R192 HydrophobicContact CG1-CG 3.62Å; Q170-R192 VanDerWaalsContact OE1-C 3.28Å; Q170-R192 PolarHBondContact OE1-O 3.36Å |
| 193 | V | 90.6 | Very high | 90.9 | Very high | 24 Ų | 24 | 54.5 Ų | 54.5 | 15% | 0.145 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 146.1 | -178.3 | -70.7 | 0 | 0 | 0 | 0 | 113 | I168 Q170 E191 Y198 K199 | I168-V193 PolarHBondContact O-N 3.28Å; I168-V193 VanDerWaalsContact O-N 3.12Å; Q170-V193 PolarHBondContact N-O 3.15Å; E191-V193 HydrophobicContact CG-CG1 3.87Å; V193-Y198 HydrophobicContact CB-CD1 4.38Å; V193-Y198 HydrophobicContact CB-CE1 4.33Å; V193-Y198 HydrophobicContact CG1-CE1 4.33Å; V193-Y198 HydrophobicContact CG2-CD1 4.12Å; V193-Y198 HydrophobicContact CG2-CE1 4.2Å; V193-K199 HydrophobicContact CG2-CD 3.76Å; V193-K199 HydrophobicContact CG2-CG 3.4Å; V193-K199 PolarHBondContact O-NZ 2.84Å |
| 194 | N | 85.1 | Confident | 90.7 | Very high | 112 Ų | 112 | 55 Ų | 55 | 60% | 0.599 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -78.7 | 163.7 | 168.5 | -74.7 | -40.2 | 0 | 0 | 0 | 110.9 | Q170 | Q170-N194 WeakPolarHBondContact CB-OD1 3.35Š|
| 195 | G | 84.4 | Confident | 90.4 | Very high | 21 Ų | 21 | 59.2 Ų | 59.2 | 22% | 0.216 | 29% | 0.29 | C | S | . | . | trans | 81.2 | 110.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | D123 K199 | D123-G195 WeakPolarHBondContact OD1-CA 3.24Å; D123-G195 WeakPolarHBondContact OD2-CA 3.45Å; G195-K199 WeakPolarHBondContact O-CG 3.43Å; G195-K199 PolarHBondContact O-N 3.43Å; G195-K199 PolarHBondContact O-NZ 3.38Å | ||
| 196 | I | 87.2 | Confident | 90.2 | Very high | 36 Ų | 36 | 60.3 Ų | 60.3 | 19% | 0.185 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -79.4 | -42.4 | -178.1 | 166 | 156.7 | 0 | 0 | 0 | 110.7 | M122 D123 Y198 K199 F200 Y211 N221 L222 F258 | M122-I196 HydrophobicContact CE-CB 4.04Å; M122-I196 HydrophobicContact CE-CD1 3.97Å; M122-I196 HydrophobicContact CE-CG1 3.85Å; M122-I196 HydrophobicContact CE-CG2 3.05Å; M122-I196 HydrophobicContact SD-CB 4.44Å; M122-I196 HydrophobicContact SD-CG1 4.15Å; M122-I196 HydrophobicContact SD-CG2 3.69Å; D123-I196 PolarHBondContact OD2-N 3.32Å; I196-Y198 VanDerWaalsContact C-N 3.31Å; I196-Y198 PolarHBondContact O-N 2.76Å; I196-K199 PolarHBondContact O-N 2.91Å; I196-F200 HydrophobicContact CD1-CE2 4.12Å; I196-F200 HydrophobicContact CG1-CD2 3.92Å; I196-F200 HydrophobicContact CG1-CE2 3.63Å; I196-F200 WeakPolarHBondContact O-CD2 3.17Å; I196-F200 PolarHBondContact O-N 2.89Å; I196-Y211 HydrophobicContact CG1-CE1 4.17Å; I196-N221 HydrophobicContact CD1-CB 4.2Å; I196-L222 HydrophobicContact CD1-CD2 3.96Å; I196-F258 HydrophobicContact CD1-CZ 4.24Å |
| 197 | G | 86.9 | Confident | 90.3 | Very high | 12 Ų | 12 | 52.8 Ų | 52.8 | 12% | 0.124 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.8 | -39.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | D123 K199 F200 L201 | D123-G197 WeakPolarHBondContact OD2-CA 3.42Å; D123-G197 PolarHBondContact OD2-N 3.27Å; G197-K199 VanDerWaalsContact C-N 3.33Å; G197-K199 PolarHBondContact O-N 2.87Å; G197-F200 PolarHBondContact O-N 3.12Å; G197-L201 VanDerWaalsContact O-CG 3.28Å; G197-L201 WeakPolarHBondContact O-CG 3.3Å; G197-L201 PolarHBondContact O-N 2.78Å |
| 198 | Y | 86.7 | Confident | 90.5 | Very high | 64 Ų | 64 | 46 Ų | 46 | 25% | 0.251 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.1 | -43.8 | 174 | 177.4 | -101.2 | 0 | 0 | 0 | 112.1 | D123 Q126 V193 I196 L201 R202 | D123-Y198 PolarHBondContact OD2-N 2.85Å; Q126-Y198 HydrophobicContact CG-CD2 4.43Å; V193-Y198 HydrophobicContact CB-CD1 4.38Å; V193-Y198 HydrophobicContact CB-CE1 4.33Å; V193-Y198 HydrophobicContact CG1-CE1 4.33Å; V193-Y198 HydrophobicContact CG2-CD1 4.12Å; V193-Y198 HydrophobicContact CG2-CE1 4.2Å; I196-Y198 VanDerWaalsContact C-N 3.31Å; I196-Y198 PolarHBondContact O-N 2.76Å; Y198-L201 PolarHBondContact O-N 3.12Å; Y198-R202 HydrophobicContact CD1-CG 4.22Å; Y198-R202 HydrophobicContact CE1-CG 3.74Å; Y198-R202 HydrophobicContact CE2-CG 4.19Å; Y198-R202 WeakPolarHBondContact O-CG 3.38Å; Y198-R202 PolarHBondContact O-N 3.25Å; Y198-R202 PolarHBondContact OH-NH1 3.37Å |
| 199 | K | 92.2 | Very high | 90.5 | Very high | 7 Ų | 7 | 47.3 Ų | 47.3 | 3% | 0.03 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.2 | -43.8 | 176.5 | -74.5 | -175.8 | -70.3 | -69.4 | 0 | 112.1 | L167 V193 G195 I196 G197 L201 R202 V203 Y211 | L167-K199 HydrophobicContact CB-CD 4.15Å; L167-K199 HydrophobicContact CB-CG 4.18Å; L167-K199 HydrophobicContact CD1-CB 4.05Å; L167-K199 HydrophobicContact CD1-CG 4.12Å; L167-K199 WeakPolarHBondContact CD1-O 3.2Å; V193-K199 HydrophobicContact CG2-CD 3.76Å; V193-K199 HydrophobicContact CG2-CG 3.4Å; V193-K199 PolarHBondContact O-NZ 2.84Å; G195-K199 WeakPolarHBondContact O-CG 3.43Å; G195-K199 PolarHBondContact O-N 3.43Å; G195-K199 PolarHBondContact O-NZ 3.38Å; I196-K199 PolarHBondContact O-N 2.91Å; G197-K199 VanDerWaalsContact C-N 3.33Å; G197-K199 PolarHBondContact O-N 2.87Å; K199-L201 VanDerWaalsContact C-N 3.33Å; K199-L201 PolarHBondContact O-N 3.4Å; K199-R202 PolarHBondContact O-N 2.96Å; K199-V203 PolarHBondContact O-N 3.05Å; K199-V203 VanDerWaalsContact O-N 3.16Å; K199-Y211 HydrophobicContact CB-CD1 3.58Å; K199-Y211 HydrophobicContact CB-CD2 4.19Å; K199-Y211 HydrophobicContact CB-CE1 3.77Å; K199-Y211 HydrophobicContact CB-CE2 4.42Å; K199-Y211 HydrophobicContact CB-CG 3.81Å; K199-Y211 HydrophobicContact CD-CD1 4.44Å; K199-Y211 HydrophobicContact CD-CD2 3.69Å; K199-Y211 HydrophobicContact CD-CE1 4.19Å; K199-Y211 HydrophobicContact CD-CE2 3.46Å; K199-Y211 VanDerWaalsContact CD-CE2 3.46Å; K199-Y211 HydrophobicContact CD-CG 4.22Å; K199-Y211 WeakPolarHBondContact CE-OH 3.23Å; K199-Y211 HydrophobicContact CG-CD2 4.48Å |
| 200 | F | 92 | Very high | 90.6 | Very high | 6 Ų | 6 | 41.1 Ų | 41.1 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.5 | -43 | 173.7 | -78.7 | -69.1 | 0 | 0 | 0 | 112.1 | I196 G197 R202 V203 L204 Y211 L222 A225 F229 V236 F258 A260 | I196-F200 HydrophobicContact CD1-CE2 4.12Å; I196-F200 HydrophobicContact CG1-CD2 3.92Å; I196-F200 HydrophobicContact CG1-CE2 3.63Å; I196-F200 WeakPolarHBondContact O-CD2 3.17Å; I196-F200 PolarHBondContact O-N 2.89Å; G197-F200 PolarHBondContact O-N 3.12Å; F200-R202 PolarHBondContact O-N 3.5Å; F200-V203 PolarHBondContact O-N 2.76Å; F200-L204 VanDerWaalsContact O-CB 3.31Å; F200-L204 WeakPolarHBondContact O-CB 3.32Å; F200-L204 PolarHBondContact O-N 2.78Å; F200-Y211 HydrophobicContact CD1-CD1 4.44Å; F200-Y211 HydrophobicContact CD2-CD1 4.46Å; F200-Y211 HydrophobicContact CD2-CE1 4.35Å; F200-Y211 HydrophobicContact CE1-CD1 4.42Å; F200-Y211 HydrophobicContact CE2-CD1 4.42Å; F200-Y211 HydrophobicContact CE2-CE1 4.11Å; F200-Y211 HydrophobicContact CG-CD1 4.47Å; F200-Y211 HydrophobicContact CZ-CD1 4.4Å; F200-Y211 HydrophobicContact CZ-CE1 4.37Å; F200-L222 HydrophobicContact CE2-CD2 4.13Å; F200-L222 HydrophobicContact CZ-CD2 3.94Å; F200-A225 HydrophobicContact CB-CB 4.05Å; F200-A225 HydrophobicContact CD1-CB 3.65Å; F200-A225 HydrophobicContact CD2-CB 3.35Å; F200-A225 HydrophobicContact CE1-CB 3.79Å; F200-A225 HydrophobicContact CE2-CB 3.53Å; F200-A225 HydrophobicContact CG-CB 3.43Å; F200-A225 VanDerWaalsContact CG-CB 3.43Å; F200-A225 HydrophobicContact CZ-CB 3.74Å; F200-F229 HydrophobicContact CB-CE2 3.97Å; F200-F229 HydrophobicContact CB-CZ 4.34Å; F200-F229 HydrophobicContact CD1-CD2 4.28Å; F200-F229 HydrophobicContact CD1-CE1 4.34Å; F200-F229 AromaticContact CD1-CE2 3.68Å; F200-F229 HydrophobicContact CD1-CE2 3.68Å; F200-F229 AromaticContact CD1-CZ 3.72Å; F200-F229 HydrophobicContact CD1-CZ 3.72Å; F200-F229 HydrophobicContact CG-CE2 4.29Å; F200-F229 WeakPolarHBondContact O-CZ 3.46Å; F200-V236 HydrophobicContact CE1-CG1 4.3Å; F200-V236 HydrophobicContact CE1-CG2 3.82Å; F200-F258 HydrophobicContact CE1-CE2 4.03Å; F200-F258 HydrophobicContact CE2-CE2 4.25Å; F200-F258 HydrophobicContact CE2-CZ 4.28Å; F200-F258 HydrophobicContact CZ-CD2 4.31Å; F200-F258 AromaticContact CZ-CE2 3.49Å; F200-F258 HydrophobicContact CZ-CE2 3.49Å; F200-F258 VanDerWaalsContact CZ-CE2 3.49Å; F200-F258 AromaticContact CZ-CZ 3.93Å; F200-F258 HydrophobicContact CZ-CZ 3.93Å; F200-A260 HydrophobicContact CD1-CB 3.94Å; F200-A260 HydrophobicContact CE1-CB 3.5Å |
| 201 | L | 89 | Confident | 90.6 | Very high | 46 Ų | 46 | 38.8 Ų | 38.8 | 24% | 0.241 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.8 | -37 | 177.9 | -69.8 | 176 | 0 | 0 | 0 | 113.1 | Q126 I130 G197 Y198 K199 V203 L204 N205 | Q126-L201 HydrophobicContact CB-CD1 3.64Å; Q126-L201 HydrophobicContact CG-CD1 3.88Å; I130-L201 HydrophobicContact CD1-CD2 3.32Å; I130-L201 HydrophobicContact CG1-CD2 4.01Å; G197-L201 VanDerWaalsContact O-CG 3.28Å; G197-L201 WeakPolarHBondContact O-CG 3.3Å; G197-L201 PolarHBondContact O-N 2.78Å; Y198-L201 PolarHBondContact O-N 3.12Å; K199-L201 VanDerWaalsContact C-N 3.33Å; K199-L201 PolarHBondContact O-N 3.4Å; L201-V203 VanDerWaalsContact C-N 3.31Å; L201-L204 HydrophobicContact CD2-CD2 4.48Å; L201-L204 PolarHBondContact O-N 2.67Å; L201-N205 WeakPolarHBondContact O-CB 3.41Å; L201-N205 PolarHBondContact O-N 3.5Å; L201-N205 PolarHBondContact O-ND2 3.4Å; L201-N205 PolarHBondContact O-OD1 3.49Å |
| 202 | R | 90 | Very high | 90.6 | Very high | 38 Ų | 38 | 37.1 Ų | 37.1 | 14% | 0.143 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.2 | -33.6 | 174.9 | -73.8 | -74.2 | -60.9 | -92 | -6.7 | 112.5 | L167 E191 Y198 K199 F200 N205 S207 A208 | L167-R202 HydrophobicContact CD1-CB 3.47Å; L167-R202 VanDerWaalsContact CD1-CB 3.47Å; L167-R202 HydrophobicContact CD1-CG 4.23Å; E191-R202 IonicContact OE1-CZ 3.53Å; E191-R202 IonicContact OE1-NH1 2.78Å; E191-R202 PolarHBondContact OE1-NH1 3.05Å; E191-R202 IonicContact OE1-NH2 3.47Å; E191-R202 PolarHBondContact OE1-NH2 3.44Å; E191-R202 IonicContact OE2-CZ 3.9Å; E191-R202 IonicContact OE2-NH1 3.8Å; E191-R202 IonicContact OE2-NH2 3.08Å; E191-R202 PolarHBondContact OE2-NH2 3.15Å; E191-R202 VanDerWaalsContact OE2-NH2 3.08Å; Y198-R202 HydrophobicContact CD1-CG 4.22Å; Y198-R202 HydrophobicContact CE1-CG 3.74Å; Y198-R202 HydrophobicContact CE2-CG 4.19Å; Y198-R202 WeakPolarHBondContact O-CG 3.38Å; Y198-R202 PolarHBondContact O-N 3.25Å; Y198-R202 PolarHBondContact OH-NH1 3.37Å; K199-R202 PolarHBondContact O-N 2.96Å; F200-R202 PolarHBondContact O-N 3.5Å; R202-N205 WeakPolarHBondContact CA-OD1 3.23Å; R202-N205 PolarHBondContact O-OD1 2.92Å; R202-S207 WeakPolarHBondContact CA-OG 3.43Å; R202-S207 WeakPolarHBondContact CD-OG 3.44Å; R202-S207 PolarHBondContact NE-OG 3.28Å; R202-S207 CarbonylContact O-C 3.55Å; R202-S207 PolarHBondContact O-N 3.18Å; R202-S207 PolarHBondContact O-OG 3.2Å; R202-A208 HydrophobicContact CB-CB 4.36Å; R202-A208 PolarHBondContact O-N 3.33Å |
| 203 | V | 92.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -75.1 | -46.8 | 173.1 | 173.9 | 0 | 0 | 0 | 0 | 110.3 | L167 K199 F200 L201 N205 G206 A208 F229 L262 | L167-V203 HydrophobicContact CD1-CG2 4.23Å; K199-V203 PolarHBondContact O-N 3.05Å; K199-V203 VanDerWaalsContact O-N 3.16Å; F200-V203 PolarHBondContact O-N 2.76Å; L201-V203 VanDerWaalsContact C-N 3.31Å; V203-N205 VanDerWaalsContact C-N 3.28Å; V203-N205 PolarHBondContact O-N 3.01Å; V203-G206 PolarHBondContact O-N 3Å; V203-A208 HydrophobicContact CG2-CB 4.27Å; V203-F229 HydrophobicContact CB-CE1 4.33Å; V203-F229 HydrophobicContact CB-CZ 3.94Å; V203-F229 HydrophobicContact CG1-CE1 3.71Å; V203-F229 HydrophobicContact CG1-CZ 3.81Å; V203-L262 HydrophobicContact CG1-CB 4.48Å |
| 204 | L | 88.8 | Confident | 90.7 | Very high | 18 Ų | 18 | 31.6 Ų | 31.6 | 9% | 0.094 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.4 | -33.4 | -178 | -170.6 | 65.8 | 0 | 0 | 0 | 113.1 | I130 C142 F200 L201 G206 I228 F229 A232 | I130-L204 HydrophobicContact CD1-CD2 4.11Å; I130-L204 HydrophobicContact CG2-CD2 4.48Å; C142-L204 HydrophobicContact CB-CD1 4.5Å; C142-L204 HydrophobicContact CB-CD2 4.3Å; C142-L204 HydrophobicContact CB-CG 4.34Å; F200-L204 VanDerWaalsContact O-CB 3.31Å; F200-L204 WeakPolarHBondContact O-CB 3.32Å; F200-L204 PolarHBondContact O-N 2.78Å; L201-L204 HydrophobicContact CD2-CD2 4.48Å; L201-L204 PolarHBondContact O-N 2.67Å; L204-G206 VanDerWaalsContact C-N 3.31Å; L204-I228 HydrophobicContact CD2-CG2 3.63Å; L204-F229 HydrophobicContact CB-CE2 3.94Å; L204-F229 HydrophobicContact CB-CZ 4.21Å; L204-F229 HydrophobicContact CD1-CD2 4.21Å; L204-F229 HydrophobicContact CD1-CE2 4.14Å; L204-F229 HydrophobicContact CG-CE2 4.47Å; L204-A232 HydrophobicContact CD1-CB 3.68Å |
| 205 | N | 87.1 | Confident | 91 | Very high | 106 Ų | 106 | 28.9 Ų | 28.9 | 57% | 0.567 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | 1.8 | 176.7 | 76 | 8 | 0 | 0 | 0 | 113.9 | L201 R202 V203 S207 | L201-N205 WeakPolarHBondContact O-CB 3.41Å; L201-N205 PolarHBondContact O-N 3.5Å; L201-N205 PolarHBondContact O-ND2 3.4Å; L201-N205 PolarHBondContact O-OD1 3.49Å; R202-N205 WeakPolarHBondContact CA-OD1 3.23Å; R202-N205 PolarHBondContact O-OD1 2.92Å; V203-N205 VanDerWaalsContact C-N 3.28Å; V203-N205 PolarHBondContact O-N 3.01Å; N205-S207 VanDerWaalsContact C-N 3.29Å; N205-S207 PolarHBondContact O-N 3.31Å; N205-S207 WeakPolarHBondContact OD1-CB 3.32Å; N205-S207 PolarHBondContact OD1-N 3.49Å; N205-S207 PolarHBondContact OD1-OG 3.45Å |
| 206 | G | 88.6 | Confident | 91.4 | Very high | 51 Ų | 51 | 30.8 Ų | 30.8 | 53% | 0.526 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | 7.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | V203 L204 A208 | V203-G206 PolarHBondContact O-N 3Å; L204-G206 VanDerWaalsContact C-N 3.31Å; G206-A208 VanDerWaalsContact C-N 3.26Å; G206-A208 PolarHBondContact O-N 3.21Å |
| 207 | S | 89.8 | Confident | 91.5 | Very high | 51 Ų | 51 | 29.8 Ų | 29.8 | 36% | 0.357 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -80.2 | -5.7 | 176.8 | 68.7 | 0 | 0 | 0 | 0 | 113.9 | L165 R202 N205 | L165-S207 VanDerWaalsContact CD2-O 3.31Å; L165-S207 WeakPolarHBondContact CD2-O 3.12Å; R202-S207 WeakPolarHBondContact CA-OG 3.43Å; R202-S207 WeakPolarHBondContact CD-OG 3.44Å; R202-S207 PolarHBondContact NE-OG 3.28Å; R202-S207 CarbonylContact O-C 3.55Å; R202-S207 PolarHBondContact O-N 3.18Å; R202-S207 PolarHBondContact O-OG 3.2Å; N205-S207 VanDerWaalsContact C-N 3.29Å; N205-S207 PolarHBondContact O-N 3.31Å; N205-S207 WeakPolarHBondContact OD1-CB 3.32Å; N205-S207 PolarHBondContact OD1-N 3.49Å; N205-S207 PolarHBondContact OD1-OG 3.45Å |
| 208 | A | 93.3 | Very high | 91.7 | Very high | 5 Ų | 5 | 33 Ų | 33 | 4% | 0.041 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -142.8 | 150.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | L165 L167 R202 V203 G206 | L165-A208 HydrophobicContact CD2-CB 4.01Å; L165-A208 HydrophobicContact CG-CB 4.14Å; L167-A208 HydrophobicContact CD1-CB 3.66Å; L167-A208 HydrophobicContact CD2-CB 4.05Å; L167-A208 HydrophobicContact CG-CB 3.64Å; R202-A208 HydrophobicContact CB-CB 4.36Å; R202-A208 PolarHBondContact O-N 3.33Å; V203-A208 HydrophobicContact CG2-CB 4.27Å; G206-A208 VanDerWaalsContact C-N 3.26Å; G206-A208 PolarHBondContact O-N 3.21Å |
| 209 | N | 94.3 | Very high | 91.9 | Very high | 45 Ų | 45 | 30.8 Ų | 30.8 | 24% | 0.241 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -76.4 | -48.9 | -177.1 | -67.9 | 85.1 | 0 | 0 | 0 | 111.9 | G164 L165 W188 Y268 | G164-N209 WeakPolarHBondContact CA-OD1 3.2Å; L165-N209 PolarHBondContact N-OD1 2.92Å; L165-N209 WeakPolarHBondContact O-CB 3.13Å; L165-N209 PolarHBondContact O-N 2.49Å; W188-N209 HydrophobicContact CH2-CB 4.4Å; W188-N209 HydrophobicContact CZ3-CB 4.16Å; N209-Y268 PolarHBondContact ND2-OH 2.91Å |
| 210 | F | 96.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 160.3 | 178.2 | 66.4 | -95.5 | 0 | 0 | 0 | 111.8 | A166 L167 I180 F184 W188 V212 L259 A260 Y268 I272 | A166-F210 HydrophobicContact CB-CD2 4.21Å; A166-F210 HydrophobicContact CB-CE1 4.01Å; A166-F210 HydrophobicContact CB-CE2 3.55Å; A166-F210 HydrophobicContact CB-CZ 3.43Å; A166-F210 VanDerWaalsContact CB-CZ 3.43Å; L167-F210 PolarHBondContact N-O 2.87Å; I180-F210 HydrophobicContact CD1-CE2 4.41Å; I180-F210 HydrophobicContact CG1-CE2 4.19Å; I180-F210 HydrophobicContact CG1-CZ 4.25Å; I180-F210 HydrophobicContact CG2-CZ 4.43Å; F184-F210 HydrophobicContact CD2-CE1 4.47Å; F184-F210 HydrophobicContact CD2-CZ 4.13Å; F184-F210 AromaticContact CE2-CE1 3.87Å; F184-F210 HydrophobicContact CE2-CE1 3.87Å; F184-F210 AromaticContact CE2-CZ 3.52Å; F184-F210 HydrophobicContact CE2-CZ 3.52Å; F184-F210 AromaticContact CZ-CE1 3.9Å; F184-F210 HydrophobicContact CZ-CE1 3.9Å; F184-F210 AromaticContact CZ-CZ 4Å; F184-F210 HydrophobicContact CZ-CZ 4Å; W188-F210 HydrophobicContact CE3-CE1 4.1Å; W188-F210 HydrophobicContact CH2-CE1 4.13Å; W188-F210 HydrophobicContact CZ3-CD1 4.07Å; W188-F210 AromaticContact CZ3-CE1 3.44Å; W188-F210 HydrophobicContact CZ3-CE1 3.44Å; W188-F210 VanDerWaalsContact CZ3-CE1 3.44Å; W188-F210 HydrophobicContact CZ3-CZ 4.37Å; F210-V212 HydrophobicContact CD2-CB 4.12Å; F210-V212 HydrophobicContact CD2-CG1 4.32Å; F210-V212 HydrophobicContact CE2-CB 4.08Å; F210-V212 HydrophobicContact CE2-CG1 3.89Å; F210-L259 HydrophobicContact CB-CD2 4.49Å; F210-L259 HydrophobicContact CD2-CD1 4.47Å; F210-A260 CarbonylContact C-O 3.54Å; F210-A260 WeakPolarHBondContact CA-O 3.33Å; F210-A260 VanDerWaalsContact CB-O 3.3Å; F210-A260 WeakPolarHBondContact CB-O 3.46Å; F210-Y268 HydrophobicContact CB-CD2 4.1Å; F210-Y268 HydrophobicContact CB-CE2 4.3Å; F210-Y268 HydrophobicContact CB-CG 4.49Å; F210-Y268 AromaticContact CD1-CD1 3.51Å; F210-Y268 HydrophobicContact CD1-CD1 3.51Å; F210-Y268 AromaticContact CD1-CD2 4Å; F210-Y268 HydrophobicContact CD1-CD2 4Å; F210-Y268 AromaticContact CD1-CE1 3.69Å; F210-Y268 HydrophobicContact CD1-CE1 3.69Å; F210-Y268 HydrophobicContact CD1-CE2 4.14Å; F210-Y268 AromaticContact CD1-CG 3.69Å; F210-Y268 HydrophobicContact CD1-CG 3.69Å; F210-Y268 AromaticContact CE1-CD1 3.67Å; F210-Y268 HydrophobicContact CE1-CD1 3.67Å; F210-Y268 HydrophobicContact CE1-CE1 4Å; F210-Y268 HydrophobicContact CE1-CG 4.17Å; F210-Y268 HydrophobicContact CG-CD1 4.48Å; F210-Y268 HydrophobicContact CG-CD2 4.34Å; F210-Y268 HydrophobicContact CG-CG 4.25Å; F210-I272 HydrophobicContact CE2-CD1 3.94Å; F210-I272 HydrophobicContact CZ-CD1 4.17Å |
| 211 | Y | 96.4 | Very high | 91.5 | Very high | 4 Ų | 4 | 33.3 Ų | 33.3 | 2% | 0.016 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 126.5 | 170 | 168 | -150.5 | 0 | 0 | 0 | 107.9 | L167 I196 K199 F200 H213 F258 L259 A260 | L167-Y211 HydrophobicContact CB-CD2 4.24Å; L167-Y211 HydrophobicContact CB-CG 4.48Å; L167-Y211 WeakPolarHBondContact O-CD2 3.27Å; I196-Y211 HydrophobicContact CG1-CE1 4.17Å; K199-Y211 HydrophobicContact CB-CD1 3.58Å; K199-Y211 HydrophobicContact CB-CD2 4.19Å; K199-Y211 HydrophobicContact CB-CE1 3.77Å; K199-Y211 HydrophobicContact CB-CE2 4.42Å; K199-Y211 HydrophobicContact CB-CG 3.81Å; K199-Y211 HydrophobicContact CD-CD1 4.44Å; K199-Y211 HydrophobicContact CD-CD2 3.69Å; K199-Y211 HydrophobicContact CD-CE1 4.19Å; K199-Y211 HydrophobicContact CD-CE2 3.46Å; K199-Y211 VanDerWaalsContact CD-CE2 3.46Å; K199-Y211 HydrophobicContact CD-CG 4.22Å; K199-Y211 WeakPolarHBondContact CE-OH 3.23Å; K199-Y211 HydrophobicContact CG-CD2 4.48Å; F200-Y211 HydrophobicContact CD1-CD1 4.44Å; F200-Y211 HydrophobicContact CD2-CD1 4.46Å; F200-Y211 HydrophobicContact CD2-CE1 4.35Å; F200-Y211 HydrophobicContact CE1-CD1 4.42Å; F200-Y211 HydrophobicContact CE2-CD1 4.42Å; F200-Y211 HydrophobicContact CE2-CE1 4.11Å; F200-Y211 HydrophobicContact CG-CD1 4.47Å; F200-Y211 HydrophobicContact CZ-CD1 4.4Å; F200-Y211 HydrophobicContact CZ-CE1 4.37Å; Y211-H213 HydrophobicContact CE2-CB 4.42Å; Y211-F258 AromaticContact CD1-CE2 3.76Å; Y211-F258 HydrophobicContact CD1-CE2 3.76Å; Y211-F258 AromaticContact CD1-CZ 3.96Å; Y211-F258 HydrophobicContact CD1-CZ 3.96Å; Y211-F258 HydrophobicContact CE1-CE1 4.46Å; Y211-F258 AromaticContact CE1-CE2 3.58Å; Y211-F258 HydrophobicContact CE1-CE2 3.58Å; Y211-F258 AromaticContact CE1-CZ 3.27Å; Y211-F258 HydrophobicContact CE1-CZ 3.27Å; Y211-F258 HydrophobicContact CE2-CZ 4.32Å; Y211-F258 HydrophobicContact CG-CE2 4.43Å; Y211-F258 AromaticContact CZ-CZ 3.45Å; Y211-F258 VanDerWaalsContact CZ-CZ 3.45Å; Y211-L259 WeakPolarHBondContact O-CA 3.37Å; Y211-A260 PolarHBondContact N-O 3.09Å; Y211-A260 PolarHBondContact O-N 3.28Å |
| 212 | V | 96.3 | Very high | 91.6 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 142.6 | 177.2 | 68 | 0 | 0 | 0 | 0 | 111.5 | L167 I168 A176 I180 F210 T214 I239 I272 | L167-V212 PolarHBondContact O-N 2.91Å; L167-V212 VanDerWaalsContact O-N 3.11Å; I168-V212 HydrophobicContact CG2-CG1 3.72Å; A176-V212 HydrophobicContact CB-CG1 4.38Å; I180-V212 HydrophobicContact CD1-CG1 3.64Å; I180-V212 HydrophobicContact CG1-CG1 4.01Å; F210-V212 HydrophobicContact CD2-CB 4.12Å; F210-V212 HydrophobicContact CD2-CG1 4.32Å; F210-V212 HydrophobicContact CE2-CB 4.08Å; F210-V212 HydrophobicContact CE2-CG1 3.89Å; V212-T214 HydrophobicContact CG2-CG2 4.19Å; V212-I239 HydrophobicContact CG2-CD1 3.29Å; V212-I272 HydrophobicContact CG2-CD1 4.4Å |
| 213 | H | 94.5 | Very high | 91.6 | Very high | 20 Ų | 20 | 29.9 Ų | 29.9 | 9% | 0.093 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 131.9 | 172.1 | -158.3 | 69.7 | 0 | 0 | 0 | 108.4 | G172 Y211 V215 G257 F258 | G172-H213 PolarHBondContact O-CE1 3.02Å; Y211-H213 HydrophobicContact CE2-CB 4.42Å; H213-V215 PolarHBondContact CD2-O 3.32Å; H213-V215 WeakPolarHBondContact NE2-CG2 3.24Å; H213-G257 CarbonylContact O-C 3.33Å; H213-G257 VanDerWaalsContact O-CA 3.23Å; H213-G257 WeakPolarHBondContact O-CA 3.38Å; H213-F258 HydrophobicContact CB-CD1 3.6Å; H213-F258 HydrophobicContact CB-CE1 3.34Å; H213-F258 HydrophobicContact CB-CG 4.41Å; H213-F258 HydrophobicContact CB-CZ 3.97Å; H213-F258 AromaticContact CG-CE1 3.93Å; H213-F258 PolarHBondContact N-O 3.25Å; H213-F258 PolarHBondContact O-N 2.84Å |
| 214 | T | 93.4 | Very high | 91.4 | Very high | 20 Ų | 20 | 32.3 Ų | 32.3 | 12% | 0.123 | 20% | 0.202 | C | C | . | . | trans | -116.9 | 13.3 | -170 | 54.2 | 0 | 0 | 0 | 0 | 113.2 | S173 A176 I179 V212 I239 L276 | S173-T214 PolarHBondContact O-OG1 3.31Å; A176-T214 HydrophobicContact CB-CG2 3.84Å; A176-T214 PolarHBondContact N-OG1 3.3Å; I179-T214 HydrophobicContact CD1-CG2 3.85Å; V212-T214 HydrophobicContact CG2-CG2 4.19Å; T214-I239 HydrophobicContact CG2-CD1 4.42Å; T214-L276 HydrophobicContact CG2-CD2 4.1Å | ||
| 215 | V | 91 | Very high | 91.5 | Very high | 54 Ų | 54 | 32 Ų | 32 | 33% | 0.327 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -124.6 | 160.7 | 174.1 | -58.7 | 0 | 0 | 0 | 0 | 109.6 | G172 H213 V217 G257 | G172-V215 WeakPolarHBondContact O-CG2 3.49Å; H213-V215 PolarHBondContact CD2-O 3.32Å; H213-V215 WeakPolarHBondContact NE2-CG2 3.24Å; V215-V217 PolarHBondContact O-N 2.83Å; V215-G257 VanDerWaalsContact O-CA 3.27Å; V215-G257 WeakPolarHBondContact O-CA 3.4Å; V215-G257 PolarHBondContact O-N 2.79Å |
| 216 | A | 92.1 | Very high | 91.8 | Very high | 61 Ų | 61 | 27 Ų | 27 | 50% | 0.504 | 18% | 0.176 | S | C | . | . | trans | -54.2 | 131.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T253 A254 S255 | A216-T253 HydrophobicContact CB-CG2 3.91Å; A216-A254 WeakPolarHBondContact CA-O 3.23Å; A216-S255 WeakPolarHBondContact CA-O 3.4Å | ||
| 217 | V | 90.6 | Very high | 91.9 | Very high | 16 Ų | 16 | 26.3 Ų | 26.3 | 10% | 0.097 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 140.7 | 175.9 | 64.1 | 0 | 0 | 0 | 0 | 110.2 | V215 K219 N221 L222 T253 A254 F258 | V215-V217 PolarHBondContact O-N 2.83Å; V217-K219 PolarHBondContact O-N 3.32Å; V217-N221 HydrophobicContact CG2-CB 4.14Å; V217-L222 HydrophobicContact CG1-CD1 3.85Å; V217-L222 HydrophobicContact CG1-CD2 4.26Å; V217-L222 HydrophobicContact CG1-CG 4.28Å; V217-T253 WeakPolarHBondContact O-CG2 3.42Å; V217-A254 HydrophobicContact CG1-CB 3.96Å; V217-A254 PolarHBondContact N-O 2.97Å; V217-A254 PolarHBondContact O-N 3.44Å; V217-F258 HydrophobicContact CG1-CD1 3.58Å; V217-F258 HydrophobicContact CG1-CE1 3.8Å |
| 218 | E | 90.7 | Very high | 91.8 | Very high | 80 Ų | 80 | 25.2 Ų | 25.2 | 37% | 0.374 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 130.4 | 174.8 | -61.2 | -69.9 | 149.6 | 0 | 0 | 111.5 | W220 N221 | E218-W220 HydrophobicContact CB-CG 4.19Å; E218-W220 PolarHBondContact O-N 3.42Å; E218-N221 VanDerWaalsContact O-CB 3.26Å; E218-N221 WeakPolarHBondContact O-CB 3.4Å; E218-N221 PolarHBondContact O-N 3.21Å |
| 219 | K | 91.8 | Very high | 91.8 | Very high | 16 Ų | 16 | 25 Ų | 25 | 7% | 0.07 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -61.6 | -27.6 | 179.2 | -71.7 | 179.3 | 177.8 | 175.8 | 0 | 112.9 | W118 V217 N221 L222 C223 T245 Y246 D251 P252 A254 | W118-K219 HydrophobicContact CH2-CB 4.36Å; W118-K219 HydrophobicContact CZ3-CB 4.02Å; V217-K219 PolarHBondContact O-N 3.32Å; K219-N221 PolarHBondContact O-N 3.09Å; K219-L222 WeakPolarHBondContact O-CA 3.36Å; K219-L222 PolarHBondContact O-N 3.35Å; K219-C223 PolarHBondContact O-N 2.83Å; K219-T245 WeakPolarHBondContact CD-O 3.41Å; K219-T245 WeakPolarHBondContact CE-O 3.21Å; K219-T245 PolarHBondContact NZ-O 3.19Å; K219-Y246 HydrophobicContact CB-CD1 4.07Å; K219-Y246 HydrophobicContact CB-CE1 3.85Å; K219-Y246 WeakPolarHBondContact O-CE1 3.45Å; K219-D251 WeakPolarHBondContact CD-O 3.03Å; K219-D251 VanDerWaalsContact CE-O 3.24Å; K219-D251 WeakPolarHBondContact CE-O 3.48Å; K219-D251 PolarHBondContact NZ-O 2.94Å; K219-P252 WeakPolarHBondContact CB-O 3.46Å; K219-P252 WeakPolarHBondContact CG-O 3.38Å; K219-P252 PolarHBondContact N-O 3.49Å; K219-A254 HydrophobicContact CG-CB 4.5Å |
| 220 | W | 87.5 | Confident | 91.7 | Very high | 34 Ų | 34 | 26 Ų | 26 | 13% | 0.129 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -62.3 | -22.9 | 173.1 | 70.9 | -98.5 | 0 | 0 | 0 | 112 | Q74 W118 S120 E218 L222 C223 | Q74-W220 HydrophobicContact CB-CH2 3.89Å; Q74-W220 HydrophobicContact CB-CZ2 4Å; Q74-W220 HydrophobicContact CB-CZ3 4.28Å; Q74-W220 HydrophobicContact CG-CH2 4.38Å; Q74-W220 HydrophobicContact CG-CZ2 4.34Å; W118-W220 HydrophobicContact CE3-CB 3.6Å; W118-W220 HydrophobicContact CZ3-CB 3.91Å; S120-W220 WeakPolarHBondContact CB-O 3.36Å; S120-W220 VanDerWaalsContact OG-CE3 3.27Å; S120-W220 WeakPolarHBondContact OG-CZ3 3.01Å; S120-W220 PolarHBondContact OG-O 2.84Å; E218-W220 HydrophobicContact CB-CG 4.19Å; E218-W220 PolarHBondContact O-N 3.42Å; W220-L222 VanDerWaalsContact C-N 3.28Å; W220-L222 PolarHBondContact O-N 2.91Å; W220-C223 PolarHBondContact O-SG 3.39Å |
| 221 | N | 87.4 | Confident | 91.3 | Very high | 32 Ų | 32 | 26.3 Ų | 26.3 | 17% | 0.171 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -77.4 | -10.3 | 171.1 | -74.7 | -50.8 | 0 | 0 | 0 | 114.2 | M122 I196 V217 E218 K219 | M122-N221 VanDerWaalsContact CE-CA 3.45Å; M122-N221 HydrophobicContact CE-CB 3.4Å; M122-N221 VanDerWaalsContact CE-CB 3.4Å; M122-N221 WeakPolarHBondContact CE-O 3.38Å; M122-N221 WeakPolarHBondContact CE-OD1 3.37Å; I196-N221 HydrophobicContact CD1-CB 4.2Å; V217-N221 HydrophobicContact CG2-CB 4.14Å; E218-N221 VanDerWaalsContact O-CB 3.26Å; E218-N221 WeakPolarHBondContact O-CB 3.4Å; E218-N221 PolarHBondContact O-N 3.21Å; K219-N221 PolarHBondContact O-N 3.09Å |
| 222 | L | 91.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | -33.1 | -176.5 | -52.8 | -177.4 | 0 | 0 | 0 | 112.1 | I196 F200 V217 K219 W220 A224 A225 D226 L244 A254 F258 | I196-L222 HydrophobicContact CD1-CD2 3.96Å; F200-L222 HydrophobicContact CE2-CD2 4.13Å; F200-L222 HydrophobicContact CZ-CD2 3.94Å; V217-L222 HydrophobicContact CG1-CD1 3.85Å; V217-L222 HydrophobicContact CG1-CD2 4.26Å; V217-L222 HydrophobicContact CG1-CG 4.28Å; K219-L222 WeakPolarHBondContact O-CA 3.36Å; K219-L222 PolarHBondContact O-N 3.35Å; W220-L222 VanDerWaalsContact C-N 3.28Å; W220-L222 PolarHBondContact O-N 2.91Å; L222-A224 VanDerWaalsContact C-N 3.35Å; L222-A224 PolarHBondContact O-N 2.93Å; L222-A224 VanDerWaalsContact O-N 3.15Å; L222-A225 PolarHBondContact O-N 3.05Å; L222-D226 PolarHBondContact O-N 3.24Å; L222-L244 HydrophobicContact CB-CD1 4.41Å; L222-L244 HydrophobicContact CD1-CD1 3.74Å; L222-A254 HydrophobicContact CD1-CB 4.07Å; L222-F258 HydrophobicContact CD1-CB 4.22Å; L222-F258 HydrophobicContact CD1-CD1 3.89Å; L222-F258 HydrophobicContact CD1-CE1 4.39Å; L222-F258 HydrophobicContact CD1-CG 4.04Å; L222-F258 HydrophobicContact CD2-CD1 3.77Å; L222-F258 HydrophobicContact CD2-CD2 4.3Å; L222-F258 HydrophobicContact CD2-CE1 3.41Å; L222-F258 VanDerWaalsContact CD2-CE1 3.41Å; L222-F258 HydrophobicContact CD2-CE2 3.99Å; L222-F258 HydrophobicContact CD2-CG 4.18Å; L222-F258 HydrophobicContact CD2-CZ 3.5Å; L222-F258 VanDerWaalsContact CD2-CZ 3.5Å |
| 223 | C | 90.5 | Very high | 90.5 | Very high | 13 Ų | 13 | 28.4 Ų | 28.4 | 9% | 0.088 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -51.7 | -44.9 | -166.7 | 64.1 | 0 | 0 | 0 | 0 | 114.9 | W118 K219 W220 A227 Y246 | W118-C223 HydrophobicContact CB-CB 4Å; W118-C223 WeakPolarHBondContact CB-SG 3.39Å; W118-C223 HydrophobicContact CG-CB 4.44Å; K219-C223 PolarHBondContact O-N 2.83Å; W220-C223 PolarHBondContact O-SG 3.39Å; C223-A227 WeakPolarHBondContact O-CB 3.41Å; C223-A227 PolarHBondContact O-N 2.99Å; C223-Y246 VanDerWaalsContact CA-CE1 3.47Å; C223-Y246 HydrophobicContact CB-CD1 3.66Å; C223-Y246 HydrophobicContact CB-CE1 3.39Å; C223-Y246 HydrophobicContact CB-CG 4.43Å |
| 224 | A | 87.8 | Confident | 90.4 | Very high | 50 Ų | 50 | 27.7 Ų | 27.7 | 41% | 0.413 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -69.8 | -40.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L222 I228 | L222-A224 VanDerWaalsContact C-N 3.35Å; L222-A224 PolarHBondContact O-N 2.93Å; L222-A224 VanDerWaalsContact O-N 3.15Å; A224-I228 WeakPolarHBondContact O-CD1 3.08Å; A224-I228 VanDerWaalsContact O-CG1 3.27Å; A224-I228 WeakPolarHBondContact O-CG1 3.33Å; A224-I228 PolarHBondContact O-N 2.85Å; A224-I228 VanDerWaalsContact O-N 3.14Å |
| 225 | A | 90.6 | Very high | 90.4 | Very high | 13 Ų | 13 | 29.6 Ų | 29.6 | 11% | 0.107 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -70.1 | -43.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | F200 L222 I228 F229 | F200-A225 HydrophobicContact CB-CB 4.05Å; F200-A225 HydrophobicContact CD1-CB 3.65Å; F200-A225 HydrophobicContact CD2-CB 3.35Å; F200-A225 HydrophobicContact CE1-CB 3.79Å; F200-A225 HydrophobicContact CE2-CB 3.53Å; F200-A225 HydrophobicContact CG-CB 3.43Å; F200-A225 VanDerWaalsContact CG-CB 3.43Å; F200-A225 HydrophobicContact CZ-CB 3.74Å; L222-A225 PolarHBondContact O-N 3.05Å; A225-I228 PolarHBondContact O-N 3.22Å; A225-F229 WeakPolarHBondContact O-CB 3.28Å; A225-F229 WeakPolarHBondContact O-CD2 3.11Å; A225-F229 PolarHBondContact O-N 3.46Å |
| 226 | D | 93.3 | Very high | 90.7 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.7 | -48.4 | 175.7 | -175.4 | 21.5 | 0 | 0 | 0 | 111.3 | L222 I228 F229 Q230 V236 Y246 | L222-D226 PolarHBondContact O-N 3.24Å; D226-I228 VanDerWaalsContact C-N 3.28Å; D226-I228 PolarHBondContact O-N 3.45Å; D226-F229 WeakPolarHBondContact O-CB 3.5Å; D226-F229 PolarHBondContact O-N 2.65Å; D226-Q230 VanDerWaalsContact CG-NE2 3.26Å; D226-Q230 WeakPolarHBondContact O-CG 3.33Å; D226-Q230 PolarHBondContact O-N 3.46Å; D226-Q230 PolarHBondContact OD1-NE2 2.83Å; D226-Q230 PolarHBondContact OD2-NE2 3.35Å; D226-Q230 VanDerWaalsContact OD2-NE2 3.08Å; D226-V236 HydrophobicContact CB-CB 4.08Å; D226-V236 HydrophobicContact CB-CG2 4.14Å; D226-Y246 HydrophobicContact CB-CE2 4.43Å; D226-Y246 VanDerWaalsContact CB-OH 3.3Å; D226-Y246 WeakPolarHBondContact CB-OH 3.38Å; D226-Y246 VanDerWaalsContact OD2-CE2 3.23Å; D226-Y246 WeakPolarHBondContact OD2-CE2 3.37Å; D226-Y246 PolarHBondContact OD2-OH 2.92Å |
| 227 | A | 89.9 | Confident | 90.9 | Very high | 36 Ų | 36 | 24.6 Ų | 24.6 | 30% | 0.298 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -58.1 | -38.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | C223 A231 | C223-A227 WeakPolarHBondContact O-CB 3.41Å; C223-A227 PolarHBondContact O-N 2.99Å; A227-A231 VanDerWaalsContact O-CB 3.23Å; A227-A231 WeakPolarHBondContact O-CB 3.29Å; A227-A231 PolarHBondContact O-N 3.2Å |
| 228 | I | 89.5 | Confident | 91.2 | Very high | 28 Ų | 28 | 24.7 Ų | 24.7 | 14% | 0.144 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68.4 | -41.5 | 174.6 | -70.8 | 166.5 | 0 | 0 | 0 | 111 | I130 L204 A224 A225 D226 A231 A232 | I130-I228 HydrophobicContact CB-CD1 4.37Å; I130-I228 HydrophobicContact CG2-CD1 4.08Å; I130-I228 HydrophobicContact CG2-CG1 4.49Å; I130-I228 HydrophobicContact CG2-CG2 3.89Å; L204-I228 HydrophobicContact CD2-CG2 3.63Å; A224-I228 WeakPolarHBondContact O-CD1 3.08Å; A224-I228 VanDerWaalsContact O-CG1 3.27Å; A224-I228 WeakPolarHBondContact O-CG1 3.33Å; A224-I228 PolarHBondContact O-N 2.85Å; A224-I228 VanDerWaalsContact O-N 3.14Å; A225-I228 PolarHBondContact O-N 3.22Å; D226-I228 VanDerWaalsContact C-N 3.28Å; D226-I228 PolarHBondContact O-N 3.45Å; I228-A231 PolarHBondContact O-N 3.18Å; I228-A232 WeakPolarHBondContact O-CB 3.37Å; I228-A232 PolarHBondContact O-N 2.93Å |
| 229 | F | 92.4 | Very high | 91.3 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 0% | 0.004 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.5 | -48.9 | 178.5 | -91.2 | -126.5 | 0 | 0 | 0 | 110.8 | F200 V203 L204 A225 D226 A231 A232 G233 A234 V236 A260 | F200-F229 HydrophobicContact CB-CE2 3.97Å; F200-F229 HydrophobicContact CB-CZ 4.34Å; F200-F229 HydrophobicContact CD1-CD2 4.28Å; F200-F229 HydrophobicContact CD1-CE1 4.34Å; F200-F229 AromaticContact CD1-CE2 3.68Å; F200-F229 HydrophobicContact CD1-CE2 3.68Å; F200-F229 AromaticContact CD1-CZ 3.72Å; F200-F229 HydrophobicContact CD1-CZ 3.72Å; F200-F229 HydrophobicContact CG-CE2 4.29Å; F200-F229 WeakPolarHBondContact O-CZ 3.46Å; V203-F229 HydrophobicContact CB-CE1 4.33Å; V203-F229 HydrophobicContact CB-CZ 3.94Å; V203-F229 HydrophobicContact CG1-CE1 3.71Å; V203-F229 HydrophobicContact CG1-CZ 3.81Å; L204-F229 HydrophobicContact CB-CE2 3.94Å; L204-F229 HydrophobicContact CB-CZ 4.21Å; L204-F229 HydrophobicContact CD1-CD2 4.21Å; L204-F229 HydrophobicContact CD1-CE2 4.14Å; L204-F229 HydrophobicContact CG-CE2 4.47Å; A225-F229 WeakPolarHBondContact O-CB 3.28Å; A225-F229 WeakPolarHBondContact O-CD2 3.11Å; A225-F229 PolarHBondContact O-N 3.46Å; D226-F229 WeakPolarHBondContact O-CB 3.5Å; D226-F229 PolarHBondContact O-N 2.65Å; F229-A231 VanDerWaalsContact C-N 3.31Å; F229-A231 PolarHBondContact O-N 3.26Å; F229-A232 CarbonylContact O-C 3.51Å; F229-A232 WeakPolarHBondContact O-CA 3.28Å; F229-A232 WeakPolarHBondContact O-CB 3.36Å; F229-A232 PolarHBondContact O-N 3.03Å; F229-G233 PolarHBondContact O-N 2.87Å; F229-A234 CarbonylContact C-O 3.5Å; F229-A234 HydrophobicContact CB-CB 3.9Å; F229-A234 HydrophobicContact CD1-CB 3.54Å; F229-A234 HydrophobicContact CE1-CB 4.28Å; F229-A234 HydrophobicContact CG-CB 3.92Å; F229-A234 WeakPolarHBondContact O-CA 3.35Å; F229-A234 WeakPolarHBondContact O-CB 3.23Å; F229-A234 PolarHBondContact O-N 3.4Å; F229-V236 HydrophobicContact CB-CG2 3.88Å; F229-V236 HydrophobicContact CD1-CG2 3.74Å; F229-V236 HydrophobicContact CE1-CG2 4.47Å; F229-V236 HydrophobicContact CG-CG2 3.81Å; F229-A260 HydrophobicContact CD1-CB 4.43Å; F229-A260 HydrophobicContact CE1-CB 3.93Å |
| 230 | Q | 91.7 | Very high | 91.3 | Very high | 66 Ų | 66 | 24.8 Ų | 24.8 | 31% | 0.308 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -59.1 | -42.2 | 174.1 | -69.2 | -178.1 | 41.9 | 0 | 0 | 111.8 | V134 D226 A232 G233 | V134-Q230 HydrophobicContact CG1-CB 4.15Å; V134-Q230 HydrophobicContact CG2-CB 3.76Å; D226-Q230 VanDerWaalsContact CG-NE2 3.26Å; D226-Q230 WeakPolarHBondContact O-CG 3.33Å; D226-Q230 PolarHBondContact O-N 3.46Å; D226-Q230 PolarHBondContact OD1-NE2 2.83Å; D226-Q230 PolarHBondContact OD2-NE2 3.35Å; D226-Q230 VanDerWaalsContact OD2-NE2 3.08Å; Q230-A232 PolarHBondContact O-N 3.25Å; Q230-G233 PolarHBondContact O-N 3.47Å; Q230-G233 VanDerWaalsContact O-N 3.16Å |
| 231 | A | 88.6 | Confident | 91.7 | Very high | 5 Ų | 5 | 23.7 Ų | 23.7 | 4% | 0.041 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.1 | -29 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I133 G137 C138 A227 I228 F229 | I133-A231 WeakPolarHBondContact O-CB 3.17Å; G137-A231 WeakPolarHBondContact CA-O 3.29Å; C138-A231 HydrophobicContact CB-CB 4.39Å; A227-A231 VanDerWaalsContact O-CB 3.23Å; A227-A231 WeakPolarHBondContact O-CB 3.29Å; A227-A231 PolarHBondContact O-N 3.2Å; I228-A231 PolarHBondContact O-N 3.18Å; F229-A231 VanDerWaalsContact C-N 3.31Å; F229-A231 PolarHBondContact O-N 3.26Å |
| 232 | A | 88.8 | Confident | 92 | Very high | 2 Ų | 2 | 26.2 Ų | 26.2 | 2% | 0.017 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -82.4 | -14.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114 | R144 L204 I228 F229 Q230 | R144-A232 PolarHBondContact N-O 3.28Å; L204-A232 HydrophobicContact CD1-CB 3.68Å; I228-A232 WeakPolarHBondContact O-CB 3.37Å; I228-A232 PolarHBondContact O-N 2.93Å; F229-A232 CarbonylContact O-C 3.51Å; F229-A232 WeakPolarHBondContact O-CA 3.28Å; F229-A232 WeakPolarHBondContact O-CB 3.36Å; F229-A232 PolarHBondContact O-N 3.03Å; Q230-A232 PolarHBondContact O-N 3.25Å |
| 233 | G | 88 | Confident | 92.1 | Very high | 48 Ų | 48 | 32.6 Ų | 32.6 | 50% | 0.495 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86 | 14.9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | F229 Q230 | F229-G233 PolarHBondContact O-N 2.87Å; Q230-G233 PolarHBondContact O-N 3.47Å; Q230-G233 VanDerWaalsContact O-N 3.16Å |
| 234 | A | 91.1 | Very high | 92.3 | Very high | 5 Ų | 5 | 32.6 Ų | 32.6 | 4% | 0.041 | 20% | 0.2 | C | C | . | . | trans | -94.3 | 177 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111 | F229 S261 L262 | F229-A234 CarbonylContact C-O 3.5Å; F229-A234 HydrophobicContact CB-CB 3.9Å; F229-A234 HydrophobicContact CD1-CB 3.54Å; F229-A234 HydrophobicContact CE1-CB 4.28Å; F229-A234 HydrophobicContact CG-CB 3.92Å; F229-A234 WeakPolarHBondContact O-CA 3.35Å; F229-A234 WeakPolarHBondContact O-CB 3.23Å; F229-A234 PolarHBondContact O-N 3.4Å; A234-S261 WeakPolarHBondContact CB-O 3.42Å; A234-L262 HydrophobicContact CB-CD1 3.98Å | ||
| 235 | Q | 94.8 | Very high | 92.5 | Very high | 60 Ų | 60 | 33.3 Ų | 33.3 | 28% | 0.28 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 141.9 | 179.6 | -63.6 | 104.9 | -25.7 | 0 | 0 | 113.3 | A260 S261 H265 | Q235-A260 WeakPolarHBondContact O-CA 3.26Å; Q235-S261 PolarHBondContact N-O 3.37Å; Q235-S261 VanDerWaalsContact N-O 3.15Å; Q235-S261 PolarHBondContact O-N 2.83Å; Q235-H265 HydrophobicContact CB-CB 4.15Å; Q235-H265 HydrophobicContact CG-CB 4.43Å; Q235-H265 PolarHBondContact O-CE1 3.26Å; Q235-H265 VanDerWaalsContact O-CE1 3.31Å; Q235-H265 PolarHBondContact O-ND1 3.3Å |
| 236 | V | 96.8 | Very high | 92.5 | Very high | 5 Ų | 5 | 34.8 Ų | 34.8 | 3% | 0.03 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 124.9 | 160.4 | -171.2 | 0 | 0 | 0 | 0 | 107.3 | F200 D226 F229 L244 F258 L259 A260 | F200-V236 HydrophobicContact CE1-CG1 4.3Å; F200-V236 HydrophobicContact CE1-CG2 3.82Å; D226-V236 HydrophobicContact CB-CB 4.08Å; D226-V236 HydrophobicContact CB-CG2 4.14Å; F229-V236 HydrophobicContact CB-CG2 3.88Å; F229-V236 HydrophobicContact CD1-CG2 3.74Å; F229-V236 HydrophobicContact CE1-CG2 4.47Å; F229-V236 HydrophobicContact CG-CG2 3.81Å; V236-L244 HydrophobicContact CG1-CD1 3.84Å; V236-F258 HydrophobicContact CG1-CD2 3.99Å; V236-L259 WeakPolarHBondContact CA-O 3.46Å; V236-A260 HydrophobicContact CG1-CB 4.29Å; V236-A260 HydrophobicContact CG2-CB 3.9Å |
| 237 | T | 96.7 | Very high | 92.2 | Very high | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 162.8 | 176.3 | 59.9 | 0 | 0 | 0 | 0 | 109.8 | V242 F258 L259 H265 | T237-V242 WeakPolarHBondContact CB-O 3.42Å; T237-F258 CarbonylContact O-C 3.23Å; T237-F258 WeakPolarHBondContact O-CA 3.3Å; T237-F258 WeakPolarHBondContact O-CB 3.48Å; T237-L259 PolarHBondContact N-O 3.27Å; T237-L259 PolarHBondContact O-N 3.12Å; T237-H265 VanDerWaalsContact CG2-NE2 3.31Å; T237-H265 WeakPolarHBondContact CG2-NE2 3.36Å; T237-H265 PolarHBondContact OG1-NE2 3.4Å |
| 238 | S | 95.2 | Very high | 91.9 | Very high | 18 Ų | 18 | 37.8 Ų | 37.8 | 13% | 0.126 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.2 | 158.6 | 158.4 | 56.3 | 0 | 0 | 0 | 0 | 110.7 | D240 G241 V242 | S238-D240 WeakPolarHBondContact CB-OD1 3.44Å; S238-D240 PolarHBondContact O-N 3.43Å; S238-D240 PolarHBondContact OG-OD1 3.03Å; S238-G241 PolarHBondContact O-N 3.25Å; S238-V242 PolarHBondContact N-O 3.39Å; S238-V242 VanDerWaalsContact OG-CA 3.32Å; S238-V242 WeakPolarHBondContact OG-CA 3.4Å; S238-V242 VanDerWaalsContact OG-CB 3.27Å; S238-V242 WeakPolarHBondContact OG-CB 3.41Å; S238-V242 PolarHBondContact OG-N 3.19Å; S238-V242 PolarHBondContact OG-O 3.49Å |
| 239 | I | 93.4 | Very high | 91.8 | Very high | 13 Ų | 13 | 43.7 Ų | 43.7 | 7% | 0.067 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -22.4 | -173.3 | -161.7 | 63.8 | 0 | 0 | 0 | 113.8 | V212 T214 G256 G257 L259 I272 L276 | V212-I239 HydrophobicContact CG2-CD1 3.29Å; T214-I239 HydrophobicContact CG2-CD1 4.42Å; I239-G256 VanDerWaalsContact CG2-O 3.3Å; I239-G256 WeakPolarHBondContact CG2-O 3.07Å; I239-G257 PolarHBondContact N-O 3.2Å; I239-L259 HydrophobicContact CD1-CB 4.46Å; I239-I272 HydrophobicContact CD1-CG2 4.28Å; I239-L276 HydrophobicContact CB-CD1 4.38Å; I239-L276 HydrophobicContact CD1-CD1 4.11Å; I239-L276 HydrophobicContact CG1-CD1 3.24Å; I239-L276 HydrophobicContact CG2-CD1 4.29Å |
| 240 | D | 92.8 | Very high | 91.5 | Very high | 85 Ų | 85 | 48 Ų | 48 | 46% | 0.455 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 1.9 | 176.4 | 55 | -45.4 | 0 | 0 | 0 | 114.1 | S238 V242 L273 | S238-D240 WeakPolarHBondContact CB-OD1 3.44Å; S238-D240 PolarHBondContact O-N 3.43Å; S238-D240 PolarHBondContact OG-OD1 3.03Å; D240-V242 WeakPolarHBondContact OD2-CG2 3.38Å; D240-L273 HydrophobicContact CB-CD1 4.2Å |
| 241 | G | 94.6 | Very high | 91.4 | Very high | 12 Ų | 12 | 48.5 Ų | 48.5 | 12% | 0.124 | 27% | 0.271 | C | S | . | . | S | Bend | trans | 88.5 | 10.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | S238 | S238-G241 PolarHBondContact O-N 3.25Š|
| 242 | V | 94.8 | Very high | 91.5 | Very high | 85 Ų | 85 | 51.1 Ų | 51.1 | 52% | 0.515 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -85.2 | 134.9 | 176 | -176 | 0 | 0 | 0 | 0 | 110.1 | T237 S238 D240 | T237-V242 WeakPolarHBondContact CB-O 3.42Å; S238-V242 PolarHBondContact N-O 3.39Å; S238-V242 VanDerWaalsContact OG-CA 3.32Å; S238-V242 WeakPolarHBondContact OG-CA 3.4Å; S238-V242 VanDerWaalsContact OG-CB 3.27Å; S238-V242 WeakPolarHBondContact OG-CB 3.41Å; S238-V242 PolarHBondContact OG-N 3.19Å; S238-V242 PolarHBondContact OG-O 3.49Å; D240-V242 WeakPolarHBondContact OD2-CG2 3.38Å |
| 243 | E | 94.1 | Very high | 91.6 | Very high | 134 Ų | 134 | 52.4 Ų | 52.4 | 63% | 0.626 | 30% | 0.295 | S | S | * | . | B | Isolated β-bridge | trans | -55.8 | 138.3 | 176.5 | -173 | 175.5 | -179.5 | 0 | 0 | 111.6 | ||
| 244 | L | 93.4 | Very high | 91.8 | Very high | 13 Ų | 13 | 50.4 Ų | 50.4 | 7% | 0.068 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -79.7 | 130.5 | 178.8 | -63.6 | 178.1 | 0 | 0 | 0 | 110.8 | L222 V236 Y246 A254 | L222-L244 HydrophobicContact CB-CD1 4.41Å; L222-L244 HydrophobicContact CD1-CD1 3.74Å; V236-L244 HydrophobicContact CG1-CD1 3.84Å; L244-Y246 HydrophobicContact CB-CE2 4.08Å; L244-A254 HydrophobicContact CD2-CB 4.39Å |
| 245 | T | 91.9 | Very high | 91.7 | Very high | 64 Ų | 64 | 53.8 Ų | 53.8 | 39% | 0.393 | 30% | 0.297 | S | S | . | . | trans | -107.2 | 141.5 | 175.6 | 50.1 | 0 | 0 | 0 | 0 | 110.9 | K219 E250 | K219-T245 WeakPolarHBondContact CD-O 3.41Å; K219-T245 WeakPolarHBondContact CE-O 3.21Å; K219-T245 PolarHBondContact NZ-O 3.19Å; T245-E250 WeakPolarHBondContact CB-OE2 3.37Å; T245-E250 PolarHBondContact OG1-OE2 2.89Å | ||
| 246 | Y | 90.5 | Very high | 91.4 | Very high | 45 Ų | 45 | 52.8 Ų | 52.8 | 18% | 0.176 | 30% | 0.303 | C | S | . | . | trans | -117.3 | 33 | -175.1 | -62.1 | -82.8 | 0 | 0 | 0 | 113.1 | W118 K219 C223 D226 L244 | W118-Y246 HydrophobicContact CD2-CD1 4.35Å; W118-Y246 HydrophobicContact CE3-CD1 4.4Å; W118-Y246 VanDerWaalsContact CZ2-O 3.29Å; W118-Y246 WeakPolarHBondContact CZ2-O 3.34Å; W118-Y246 HydrophobicContact CZ3-CD1 4.5Å; W118-Y246 PolarHBondContact NE1-O 3.35Å; W118-Y246 VanDerWaalsContact NE1-O 3.09Å; K219-Y246 HydrophobicContact CB-CD1 4.07Å; K219-Y246 HydrophobicContact CB-CE1 3.85Å; K219-Y246 WeakPolarHBondContact O-CE1 3.45Å; C223-Y246 VanDerWaalsContact CA-CE1 3.47Å; C223-Y246 HydrophobicContact CB-CD1 3.66Å; C223-Y246 HydrophobicContact CB-CE1 3.39Å; C223-Y246 HydrophobicContact CB-CG 4.43Å; D226-Y246 HydrophobicContact CB-CE2 4.43Å; D226-Y246 VanDerWaalsContact CB-OH 3.3Å; D226-Y246 WeakPolarHBondContact CB-OH 3.38Å; D226-Y246 VanDerWaalsContact OD2-CE2 3.23Å; D226-Y246 WeakPolarHBondContact OD2-CE2 3.37Å; D226-Y246 PolarHBondContact OD2-OH 2.92Å; L244-Y246 HydrophobicContact CB-CE2 4.08Å | ||
| 247 | S | 87.6 | Confident | 91.3 | Very high | 46 Ų | 46 | 52.6 Ų | 52.6 | 32% | 0.322 | 30% | 0.302 | S | S | . | . | trans | -68.2 | 140.3 | 172.8 | 178.9 | 0 | 0 | 0 | 0 | 110.8 | E249 E250 | S247-E249 PolarHBondContact O-N 3.2Å; S247-E249 PolarHBondContact OG-N 3.15Å; S247-E250 PolarHBondContact O-N 3.46Å | ||
| 248 | T | 84.2 | Confident | 91.2 | Very high | 53 Ų | 53 | 52.4 Ų | 52.4 | 33% | 0.325 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -11.2 | 173.1 | 57.9 | 0 | 0 | 0 | 0 | 113.4 | K70 V72 | K70-T248 HydrophobicContact CD-CG2 4.47Å; V72-T248 HydrophobicContact CG2-CG2 3.86Å |
| 249 | E | 86.3 | Confident | 91.4 | Very high | 153 Ų | 153 | 51.5 Ų | 51.5 | 72% | 0.715 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -4.6 | -179.4 | -50.4 | -54.5 | 135.9 | 0 | 0 | 112.6 | K70 S247 | K70-E249 IonicContact NZ-OE1 3.84Å; S247-E249 PolarHBondContact O-N 3.2Å; S247-E249 PolarHBondContact OG-N 3.15Å |
| 250 | E | 87.4 | Confident | 91.5 | Very high | 91 Ų | 91 | 50.9 Ų | 50.9 | 43% | 0.425 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -106.4 | 172.7 | -179.2 | -69.4 | 174.9 | -165.2 | 0 | 0 | 111.6 | T245 S247 P252 | T245-E250 WeakPolarHBondContact CB-OE2 3.37Å; T245-E250 PolarHBondContact OG1-OE2 2.89Å; S247-E250 PolarHBondContact O-N 3.46Å; E250-P252 WeakPolarHBondContact O-CD 3.34Å; E250-P252 VanDerWaalsContact O-N 3.16Å |
| 251 | D | 89.2 | Confident | 91.7 | Very high | 77 Ų | 77 | 46.9 Ų | 46.9 | 41% | 0.412 | 27% | 0.27 | S | S | . | . | trans | -54.9 | 120.8 | 173 | -174.7 | -1.4 | 0 | 0 | 0 | 109.7 | K219 T253 S255 | K219-D251 WeakPolarHBondContact CD-O 3.03Å; K219-D251 VanDerWaalsContact CE-O 3.24Å; K219-D251 WeakPolarHBondContact CE-O 3.48Å; K219-D251 PolarHBondContact NZ-O 2.94Å; D251-T253 PolarHBondContact O-N 3.14Å; D251-T253 VanDerWaalsContact O-N 3.14Å; D251-T253 WeakPolarHBondContact OD1-CA 3.03Å; D251-T253 WeakPolarHBondContact OD1-CB 3.23Å; D251-T253 PolarHBondContact OD1-N 3.4Å; D251-T253 PolarHBondContact OD1-OG1 3.26Å; D251-S255 PolarHBondContact OD2-OG 3.45Å | ||
| 252 | P | 89.4 | Confident | 91.4 | Very high | 59 Ų | 59 | 48.1 Ų | 48.1 | 38% | 0.383 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -71.3 | 1.4 | 175.4 | 31.8 | -37.2 | 0 | 0 | 0 | 112.5 | K219 E250 | K219-P252 WeakPolarHBondContact CB-O 3.46Å; K219-P252 WeakPolarHBondContact CG-O 3.38Å; K219-P252 PolarHBondContact N-O 3.49Å; E250-P252 WeakPolarHBondContact O-CD 3.34Å; E250-P252 VanDerWaalsContact O-N 3.16Å |
| 253 | T | 91.9 | Very high | 91.1 | Very high | 29 Ų | 29 | 46.5 Ų | 46.5 | 18% | 0.178 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 139 | -176.4 | -35.4 | 0 | 0 | 0 | 0 | 111.4 | A216 V217 D251 S255 | A216-T253 HydrophobicContact CB-CG2 3.91Å; V217-T253 WeakPolarHBondContact O-CG2 3.42Å; D251-T253 PolarHBondContact O-N 3.14Å; D251-T253 VanDerWaalsContact O-N 3.14Å; D251-T253 WeakPolarHBondContact OD1-CA 3.03Å; D251-T253 WeakPolarHBondContact OD1-CB 3.23Å; D251-T253 PolarHBondContact OD1-N 3.4Å; D251-T253 PolarHBondContact OD1-OG1 3.26Å; T253-S255 PolarHBondContact O-N 3.26Å |
| 254 | A | 91.1 | Very high | 90.9 | Very high | 7 Ų | 7 | 41.1 Ų | 41.1 | 6% | 0.058 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 83.4 | 160.4 | 0 | 0 | 0 | 0 | 0 | 108 | A216 V217 K219 L222 L244 G256 G257 | A216-A254 WeakPolarHBondContact CA-O 3.23Å; V217-A254 HydrophobicContact CG1-CB 3.96Å; V217-A254 PolarHBondContact N-O 2.97Å; V217-A254 PolarHBondContact O-N 3.44Å; K219-A254 HydrophobicContact CG-CB 4.5Å; L222-A254 HydrophobicContact CD1-CB 4.07Å; L244-A254 HydrophobicContact CD2-CB 4.39Å; A254-G256 VanDerWaalsContact C-N 3.32Å; A254-G256 PolarHBondContact O-N 3.35Å; A254-G257 PolarHBondContact O-N 3.03Å |
| 255 | S | 89.7 | Confident | 91 | Very high | 75 Ų | 75 | 40.7 Ų | 40.7 | 52% | 0.524 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -32.3 | -165.7 | -74.2 | 0 | 0 | 0 | 0 | 115.1 | A216 D251 T253 | A216-S255 WeakPolarHBondContact CA-O 3.4Å; D251-S255 PolarHBondContact OD2-OG 3.45Å; T253-S255 PolarHBondContact O-N 3.26Å |
| 256 | G | 89.5 | Confident | 91.1 | Very high | 40 Ų | 40 | 44 Ų | 44 | 41% | 0.412 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -2.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115 | I239 A254 | I239-G256 VanDerWaalsContact CG2-O 3.3Å; I239-G256 WeakPolarHBondContact CG2-O 3.07Å; A254-G256 VanDerWaalsContact C-N 3.32Å; A254-G256 PolarHBondContact O-N 3.35Å |
| 257 | G | 93.2 | Very high | 91.3 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | trans | 86 | -162.7 | -166.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | H213 V215 I239 A254 | H213-G257 CarbonylContact O-C 3.33Å; H213-G257 VanDerWaalsContact O-CA 3.23Å; H213-G257 WeakPolarHBondContact O-CA 3.38Å; V215-G257 VanDerWaalsContact O-CA 3.27Å; V215-G257 WeakPolarHBondContact O-CA 3.4Å; V215-G257 PolarHBondContact O-N 2.79Å; I239-G257 PolarHBondContact N-O 3.2Å; A254-G257 PolarHBondContact O-N 3.03Å | ||
| 258 | F | 96.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 163.6 | -169.7 | 71.3 | -86 | 0 | 0 | 0 | 112.3 | I196 F200 Y211 H213 V217 L222 V236 T237 A260 | I196-F258 HydrophobicContact CD1-CZ 4.24Å; F200-F258 HydrophobicContact CE1-CE2 4.03Å; F200-F258 HydrophobicContact CE2-CE2 4.25Å; F200-F258 HydrophobicContact CE2-CZ 4.28Å; F200-F258 HydrophobicContact CZ-CD2 4.31Å; F200-F258 AromaticContact CZ-CE2 3.49Å; F200-F258 HydrophobicContact CZ-CE2 3.49Å; F200-F258 VanDerWaalsContact CZ-CE2 3.49Å; F200-F258 AromaticContact CZ-CZ 3.93Å; F200-F258 HydrophobicContact CZ-CZ 3.93Å; Y211-F258 AromaticContact CD1-CE2 3.76Å; Y211-F258 HydrophobicContact CD1-CE2 3.76Å; Y211-F258 AromaticContact CD1-CZ 3.96Å; Y211-F258 HydrophobicContact CD1-CZ 3.96Å; Y211-F258 HydrophobicContact CE1-CE1 4.46Å; Y211-F258 AromaticContact CE1-CE2 3.58Å; Y211-F258 HydrophobicContact CE1-CE2 3.58Å; Y211-F258 AromaticContact CE1-CZ 3.27Å; Y211-F258 HydrophobicContact CE1-CZ 3.27Å; Y211-F258 HydrophobicContact CE2-CZ 4.32Å; Y211-F258 HydrophobicContact CG-CE2 4.43Å; Y211-F258 AromaticContact CZ-CZ 3.45Å; Y211-F258 VanDerWaalsContact CZ-CZ 3.45Å; H213-F258 HydrophobicContact CB-CD1 3.6Å; H213-F258 HydrophobicContact CB-CE1 3.34Å; H213-F258 HydrophobicContact CB-CG 4.41Å; H213-F258 HydrophobicContact CB-CZ 3.97Å; H213-F258 AromaticContact CG-CE1 3.93Å; H213-F258 PolarHBondContact N-O 3.25Å; H213-F258 PolarHBondContact O-N 2.84Å; V217-F258 HydrophobicContact CG1-CD1 3.58Å; V217-F258 HydrophobicContact CG1-CE1 3.8Å; L222-F258 HydrophobicContact CD1-CB 4.22Å; L222-F258 HydrophobicContact CD1-CD1 3.89Å; L222-F258 HydrophobicContact CD1-CE1 4.39Å; L222-F258 HydrophobicContact CD1-CG 4.04Å; L222-F258 HydrophobicContact CD2-CD1 3.77Å; L222-F258 HydrophobicContact CD2-CD2 4.3Å; L222-F258 HydrophobicContact CD2-CE1 3.41Å; L222-F258 VanDerWaalsContact CD2-CE1 3.41Å; L222-F258 HydrophobicContact CD2-CE2 3.99Å; L222-F258 HydrophobicContact CD2-CG 4.18Å; L222-F258 HydrophobicContact CD2-CZ 3.5Å; L222-F258 VanDerWaalsContact CD2-CZ 3.5Å; V236-F258 HydrophobicContact CG1-CD2 3.99Å; T237-F258 CarbonylContact O-C 3.23Å; T237-F258 WeakPolarHBondContact O-CA 3.3Å; T237-F258 WeakPolarHBondContact O-CB 3.48Å; F258-A260 HydrophobicContact CE2-CB 4.44Å |
| 259 | L | 97.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 138.4 | 169.5 | -170.4 | 146.9 | 0 | 0 | 0 | 109.6 | F210 Y211 V236 T237 I239 H265 V269 I272 | F210-L259 HydrophobicContact CB-CD2 4.49Å; F210-L259 HydrophobicContact CD2-CD1 4.47Å; Y211-L259 WeakPolarHBondContact O-CA 3.37Å; V236-L259 WeakPolarHBondContact CA-O 3.46Å; T237-L259 PolarHBondContact N-O 3.27Å; T237-L259 PolarHBondContact O-N 3.12Å; I239-L259 HydrophobicContact CD1-CB 4.46Å; L259-H265 WeakPolarHBondContact CD2-CE1 3.47Å; L259-H265 WeakPolarHBondContact CD2-ND1 3.33Å; L259-H265 PolarHBondContact O-CE1 3.38Å; L259-V269 HydrophobicContact CD1-CG2 4.33Å; L259-V269 HydrophobicContact CD2-CG2 4.48Å; L259-I272 HydrophobicContact CD1-CD1 3.51Å |
| 260 | A | 97 | Very high | 92.6 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 128.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110 | F200 F210 Y211 F229 Q235 V236 F258 | F200-A260 HydrophobicContact CD1-CB 3.94Å; F200-A260 HydrophobicContact CE1-CB 3.5Å; F210-A260 CarbonylContact C-O 3.54Å; F210-A260 WeakPolarHBondContact CA-O 3.33Å; F210-A260 VanDerWaalsContact CB-O 3.3Å; F210-A260 WeakPolarHBondContact CB-O 3.46Å; Y211-A260 PolarHBondContact N-O 3.09Å; Y211-A260 PolarHBondContact O-N 3.28Å; F229-A260 HydrophobicContact CD1-CB 4.43Å; F229-A260 HydrophobicContact CE1-CB 3.93Å; Q235-A260 WeakPolarHBondContact O-CA 3.26Å; V236-A260 HydrophobicContact CG1-CB 4.29Å; V236-A260 HydrophobicContact CG2-CB 3.9Å; F258-A260 HydrophobicContact CE2-CB 4.44Å |
| 261 | S | 95.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 157.2 | 176.3 | 73.7 | 0 | 0 | 0 | 0 | 111.4 | A234 Q235 D263 H265 | A234-S261 WeakPolarHBondContact CB-O 3.42Å; Q235-S261 PolarHBondContact N-O 3.37Å; Q235-S261 VanDerWaalsContact N-O 3.15Å; Q235-S261 PolarHBondContact O-N 2.83Å; S261-D263 WeakPolarHBondContact CB-O 3.32Å; S261-D263 PolarHBondContact OG-O 3.1Å; S261-H265 VanDerWaalsContact OG-CA 3.23Å; S261-H265 WeakPolarHBondContact OG-CA 3.25Å; S261-H265 VanDerWaalsContact OG-CB 3.3Å; S261-H265 WeakPolarHBondContact OG-CB 3.36Å; S261-H265 PolarHBondContact OG-ND1 3.19Å |
| 262 | L | 89.8 | Confident | 93.2 | Very high | 38 Ų | 38 | 32.6 Ų | 32.6 | 20% | 0.199 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -82.1 | -33.4 | 177.5 | -174.3 | 62.7 | 0 | 0 | 0 | 112.5 | V203 A234 | V203-L262 HydrophobicContact CG1-CB 4.48Å; A234-L262 HydrophobicContact CB-CD1 3.98Å |
| 263 | D | 87.9 | Confident | 93.4 | Very high | 52 Ų | 52 | 32.2 Ų | 32.2 | 28% | 0.278 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -147.2 | 177.4 | -179.8 | 58.4 | 32 | 0 | 0 | 0 | 110.3 | S261 H265 Y268 | S261-D263 WeakPolarHBondContact CB-O 3.32Å; S261-D263 PolarHBondContact OG-O 3.1Å; D263-H265 PolarHBondContact O-N 3.07Å; D263-Y268 VanDerWaalsContact O-CE2 3.23Å; D263-Y268 WeakPolarHBondContact O-CE2 3.41Å |
| 264 | H | 90.4 | Very high | 93.5 | Very high | 21 Ų | 21 | 34 Ų | 34 | 10% | 0.097 | 19% | 0.186 | C | C | . | . | trans | 46.5 | 33.8 | 174.8 | -52.3 | 90.2 | 0 | 0 | 0 | 114.1 | E154 S158 Y159 P160 Y266 Y267 Y268 | E154-H264 IonicContact OE1-CD2 3.32Å; E154-H264 PolarHBondContact OE1-CD2 3.39Å; E154-H264 IonicContact OE1-CG 3.63Å; E154-H264 IonicContact OE1-NE2 3.62Å; E154-H264 VanDerWaalsContact OE2-CA 3.25Å; E154-H264 WeakPolarHBondContact OE2-CA 3.48Å; E154-H264 IonicContact OE2-CD2 3.79Å; E154-H264 PolarHBondContact OE2-CD2 3.34Å; E154-H264 IonicContact OE2-CG 3.03Å; E154-H264 IonicContact OE2-NE2 2.65Å; S158-H264 PolarHBondContact O-CE1 3.14Å; S158-H264 PolarHBondContact O-NE2 3.16Å; Y159-H264 AromaticContact CD1-CD2 3.73Å; P160-H264 HydrophobicContact CG-CB 4.39Å; H264-Y266 PolarHBondContact O-N 2.84Å; H264-Y267 HydrophobicContact CB-CD1 4.37Å; H264-Y267 VanDerWaalsContact O-CB 3.31Å; H264-Y267 WeakPolarHBondContact O-CB 3.46Å; H264-Y267 PolarHBondContact O-N 3.08Å; H264-Y267 VanDerWaalsContact O-N 3.11Å; H264-Y268 HydrophobicContact CB-CE2 4.12Å; H264-Y268 VanDerWaalsContact O-CD2 3.22Å; H264-Y268 WeakPolarHBondContact O-CD2 3.49Å; H264-Y268 PolarHBondContact O-N 3.48Å; H264-Y268 VanDerWaalsContact O-N 3.08Å | ||
| 265 | H | 94.6 | Very high | 93.6 | Very high | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.019 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.1 | -50 | -167 | -169.9 | 85.8 | 0 | 0 | 0 | 112.3 | Q235 T237 L259 S261 D263 Y267 Y268 V269 | Q235-H265 HydrophobicContact CB-CB 4.15Å; Q235-H265 HydrophobicContact CG-CB 4.43Å; Q235-H265 PolarHBondContact O-CE1 3.26Å; Q235-H265 VanDerWaalsContact O-CE1 3.31Å; Q235-H265 PolarHBondContact O-ND1 3.3Å; T237-H265 VanDerWaalsContact CG2-NE2 3.31Å; T237-H265 WeakPolarHBondContact CG2-NE2 3.36Å; T237-H265 PolarHBondContact OG1-NE2 3.4Å; L259-H265 WeakPolarHBondContact CD2-CE1 3.47Å; L259-H265 WeakPolarHBondContact CD2-ND1 3.33Å; L259-H265 PolarHBondContact O-CE1 3.38Å; S261-H265 VanDerWaalsContact OG-CA 3.23Å; S261-H265 WeakPolarHBondContact OG-CA 3.25Å; S261-H265 VanDerWaalsContact OG-CB 3.3Å; S261-H265 WeakPolarHBondContact OG-CB 3.36Å; S261-H265 PolarHBondContact OG-ND1 3.19Å; D263-H265 PolarHBondContact O-N 3.07Å; H265-Y267 VanDerWaalsContact C-N 3.28Å; H265-Y267 PolarHBondContact O-N 3.07Å; H265-Y268 PolarHBondContact O-N 2.9Å; H265-Y268 VanDerWaalsContact O-N 3.14Å; H265-V269 WeakPolarHBondContact O-CG2 3.15Å; H265-V269 PolarHBondContact O-N 3.11Å |
| 266 | Y | 95 | Very high | 93.6 | Very high | 134 Ų | 134 | 32.3 Ų | 32.3 | 53% | 0.525 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -71.1 | -23.8 | 179.7 | -67.2 | -70.1 | 0 | 0 | 0 | 113 | H264 S270 | H264-Y266 PolarHBondContact O-N 2.84Å; Y266-S270 VanDerWaalsContact O-CB 3.26Å; Y266-S270 WeakPolarHBondContact O-CB 3.38Å; Y266-S270 PolarHBondContact O-N 2.94Å; Y266-S270 PolarHBondContact O-OG 3.09Å |
| 267 | Y | 93.2 | Very high | 93.6 | Very high | 35 Ų | 35 | 36.5 Ų | 36.5 | 14% | 0.137 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62 | -50.2 | 167.1 | 166.8 | -100.8 | 0 | 0 | 0 | 110.4 | Y159 P160 F184 H264 H265 V269 S270 R271 | Y159-Y267 HydrophobicContact CD1-CD1 4.11Å; Y159-Y267 AromaticContact CD1-CD2 3.5Å; Y159-Y267 HydrophobicContact CD1-CD2 3.5Å; Y159-Y267 VanDerWaalsContact CD1-CD2 3.5Å; Y159-Y267 HydrophobicContact CD1-CE2 4.04Å; Y159-Y267 AromaticContact CD1-CG 3.53Å; Y159-Y267 HydrophobicContact CD1-CG 3.53Å; Y159-Y267 HydrophobicContact CD2-CD2 4Å; Y159-Y267 AromaticContact CD2-CE2 3.97Å; Y159-Y267 HydrophobicContact CD2-CE2 3.97Å; Y159-Y267 AromaticContact CE1-CD2 3.48Å; Y159-Y267 HydrophobicContact CE1-CD2 3.48Å; Y159-Y267 VanDerWaalsContact CE1-CD2 3.48Å; Y159-Y267 HydrophobicContact CE1-CE2 4.37Å; Y159-Y267 AromaticContact CE1-CG 3.62Å; Y159-Y267 HydrophobicContact CE1-CG 3.62Å; Y159-Y267 AromaticContact CE2-CD2 3.92Å; Y159-Y267 HydrophobicContact CE2-CD2 3.92Å; Y159-Y267 HydrophobicContact CE2-CE2 4.23Å; Y159-Y267 AromaticContact CG-CD2 3.83Å; Y159-Y267 HydrophobicContact CG-CD2 3.83Å; Y159-Y267 AromaticContact CG-CE2 3.91Å; Y159-Y267 HydrophobicContact CG-CE2 3.91Å; Y159-Y267 HydrophobicContact CG-CG 4.24Å; Y159-Y267 AromaticContact CZ-CD2 3.72Å; P160-Y267 HydrophobicContact CG-CD1 4.48Å; P160-Y267 HydrophobicContact CG-CE1 4.32Å; F184-Y267 HydrophobicContact CE1-CE1 4.05Å; H264-Y267 HydrophobicContact CB-CD1 4.37Å; H264-Y267 VanDerWaalsContact O-CB 3.31Å; H264-Y267 WeakPolarHBondContact O-CB 3.46Å; H264-Y267 PolarHBondContact O-N 3.08Å; H264-Y267 VanDerWaalsContact O-N 3.11Å; H265-Y267 VanDerWaalsContact C-N 3.28Å; H265-Y267 PolarHBondContact O-N 3.07Å; Y267-V269 PolarHBondContact O-N 3.39Å; Y267-S270 PolarHBondContact O-N 3.11Å; Y267-S270 PolarHBondContact O-OG 3.26Å; Y267-R271 HydrophobicContact CD2-CG 4.28Å; Y267-R271 HydrophobicContact CE1-CG 4.46Å; Y267-R271 HydrophobicContact CE2-CG 3.91Å; Y267-R271 WeakPolarHBondContact O-CG 3.43Å; Y267-R271 PolarHBondContact O-N 2.88Å; Y267-R271 VanDerWaalsContact O-N 3.1Å |
| 268 | Y | 95.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.8 | -43.6 | 177.1 | -56.7 | -53.1 | 0 | 0 | 0 | 112.5 | P160 F184 W188 N209 F210 D263 H264 H265 R271 I272 | P160-Y268 HydrophobicContact CG-CE1 3.91Å; P160-Y268 WeakPolarHBondContact CG-OH 3.44Å; F184-Y268 AromaticContact CE1-CD1 3.87Å; F184-Y268 HydrophobicContact CE1-CD1 3.87Å; F184-Y268 AromaticContact CZ-CD1 3.84Å; F184-Y268 HydrophobicContact CZ-CD1 3.84Å; W188-Y268 AromaticContact CH2-CE1 3.78Å; W188-Y268 HydrophobicContact CH2-CE1 3.78Å; W188-Y268 HydrophobicContact CZ3-CE1 4.45Å; N209-Y268 PolarHBondContact ND2-OH 2.91Å; F210-Y268 HydrophobicContact CB-CD2 4.1Å; F210-Y268 HydrophobicContact CB-CE2 4.3Å; F210-Y268 HydrophobicContact CB-CG 4.49Å; F210-Y268 AromaticContact CD1-CD1 3.51Å; F210-Y268 HydrophobicContact CD1-CD1 3.51Å; F210-Y268 AromaticContact CD1-CD2 4Å; F210-Y268 HydrophobicContact CD1-CD2 4Å; F210-Y268 AromaticContact CD1-CE1 3.69Å; F210-Y268 HydrophobicContact CD1-CE1 3.69Å; F210-Y268 HydrophobicContact CD1-CE2 4.14Å; F210-Y268 AromaticContact CD1-CG 3.69Å; F210-Y268 HydrophobicContact CD1-CG 3.69Å; F210-Y268 AromaticContact CE1-CD1 3.67Å; F210-Y268 HydrophobicContact CE1-CD1 3.67Å; F210-Y268 HydrophobicContact CE1-CE1 4Å; F210-Y268 HydrophobicContact CE1-CG 4.17Å; F210-Y268 HydrophobicContact CG-CD1 4.48Å; F210-Y268 HydrophobicContact CG-CD2 4.34Å; F210-Y268 HydrophobicContact CG-CG 4.25Å; D263-Y268 VanDerWaalsContact O-CE2 3.23Å; D263-Y268 WeakPolarHBondContact O-CE2 3.41Å; H264-Y268 HydrophobicContact CB-CE2 4.12Å; H264-Y268 VanDerWaalsContact O-CD2 3.22Å; H264-Y268 WeakPolarHBondContact O-CD2 3.49Å; H264-Y268 PolarHBondContact O-N 3.48Å; H264-Y268 VanDerWaalsContact O-N 3.08Å; H265-Y268 PolarHBondContact O-N 2.9Å; H265-Y268 VanDerWaalsContact O-N 3.14Å; Y268-R271 PolarHBondContact O-N 2.96Å; Y268-I272 WeakPolarHBondContact O-CB 3.5Å; Y268-I272 WeakPolarHBondContact O-CG1 3.48Å; Y268-I272 PolarHBondContact O-N 3.08Å |
| 269 | V | 95.5 | Very high | 92.5 | Very high | 9 Ų | 9 | 46.1 Ų | 46.1 | 6% | 0.055 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.1 | -49.8 | 175.5 | 174.4 | 0 | 0 | 0 | 0 | 110.8 | L259 H265 Y267 R271 I272 L273 | L259-V269 HydrophobicContact CD1-CG2 4.33Å; L259-V269 HydrophobicContact CD2-CG2 4.48Å; H265-V269 WeakPolarHBondContact O-CG2 3.15Å; H265-V269 PolarHBondContact O-N 3.11Å; Y267-V269 PolarHBondContact O-N 3.39Å; V269-R271 PolarHBondContact O-N 3.38Å; V269-I272 PolarHBondContact O-N 2.82Å; V269-I272 VanDerWaalsContact O-N 3.14Å; V269-L273 VanDerWaalsContact O-CB 3.29Å; V269-L273 WeakPolarHBondContact O-CB 3.25Å; V269-L273 PolarHBondContact O-N 2.72Å |
| 270 | S | 94.9 | Very high | 91 | Very high | 68 Ų | 68 | 49.7 Ų | 49.7 | 48% | 0.476 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.4 | -28 | -178.8 | 70.4 | 0 | 0 | 0 | 0 | 114.1 | Y266 Y267 P274 | Y266-S270 VanDerWaalsContact O-CB 3.26Å; Y266-S270 WeakPolarHBondContact O-CB 3.38Å; Y266-S270 PolarHBondContact O-N 2.94Å; Y266-S270 PolarHBondContact O-OG 3.09Å; Y267-S270 PolarHBondContact O-N 3.11Å; Y267-S270 PolarHBondContact O-OG 3.26Å; S270-P274 WeakPolarHBondContact O-CD 3.48Å; S270-P274 WeakPolarHBondContact O-CG 3.41Å |
| 271 | R | 94.2 | Very high | 88.5 | Confident | 112 Ų | 112 | 56.7 Ų | 56.7 | 42% | 0.423 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -79.9 | -35.5 | 175.3 | -65.1 | -66.2 | -67.6 | -134.2 | -2.2 | 112.4 | A183 F184 Y267 Y268 V269 | A183-R271 HydrophobicContact CB-CB 4.32Å; A183-R271 VanDerWaalsContact CB-O 3.28Å; A183-R271 WeakPolarHBondContact CB-O 3.47Å; A183-R271 PolarHBondContact O-NE 3.31Å; A183-R271 VanDerWaalsContact O-NE 3.08Å; A183-R271 PolarHBondContact O-NH2 3.25Å; F184-R271 HydrophobicContact CD1-CB 4.47Å; F184-R271 HydrophobicContact CE1-CB 3.71Å; F184-R271 HydrophobicContact CE1-CG 3.88Å; F184-R271 HydrophobicContact CE2-CB 4.41Å; F184-R271 HydrophobicContact CZ-CB 3.68Å; F184-R271 HydrophobicContact CZ-CG 4.33Å; Y267-R271 HydrophobicContact CD2-CG 4.28Å; Y267-R271 HydrophobicContact CE1-CG 4.46Å; Y267-R271 HydrophobicContact CE2-CG 3.91Å; Y267-R271 WeakPolarHBondContact O-CG 3.43Å; Y267-R271 PolarHBondContact O-N 2.88Å; Y267-R271 VanDerWaalsContact O-N 3.1Å; Y268-R271 PolarHBondContact O-N 2.96Å; V269-R271 PolarHBondContact O-N 3.38Å |
| 272 | I | 94.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -82.1 | -40.6 | -176 | -75.9 | 167.1 | 0 | 0 | 0 | 112.1 | I179 A183 F184 F210 V212 I239 L259 Y268 V269 V275 L276 | I179-I272 HydrophobicContact CG2-CB 4.46Å; I179-I272 HydrophobicContact CG2-CG1 4.37Å; I179-I272 HydrophobicContact CG2-CG2 3.83Å; A183-I272 HydrophobicContact CB-CG1 4.29Å; F184-I272 HydrophobicContact CE2-CD1 3.92Å; F184-I272 HydrophobicContact CE2-CG1 3.71Å; F184-I272 HydrophobicContact CZ-CD1 4.27Å; F184-I272 HydrophobicContact CZ-CG1 4.14Å; F210-I272 HydrophobicContact CE2-CD1 3.94Å; F210-I272 HydrophobicContact CZ-CD1 4.17Å; V212-I272 HydrophobicContact CG2-CD1 4.4Å; I239-I272 HydrophobicContact CD1-CG2 4.28Å; L259-I272 HydrophobicContact CD1-CD1 3.51Å; Y268-I272 WeakPolarHBondContact O-CB 3.5Å; Y268-I272 WeakPolarHBondContact O-CG1 3.48Å; Y268-I272 PolarHBondContact O-N 3.08Å; V269-I272 PolarHBondContact O-N 2.82Å; V269-I272 VanDerWaalsContact O-N 3.14Å; I272-V275 PolarHBondContact O-N 2.56Å; I272-V275 VanDerWaalsContact O-N 3.07Å; I272-L276 HydrophobicContact CG2-CD1 3.43Å; I272-L276 VanDerWaalsContact CG2-CD1 3.43Å; I272-L276 HydrophobicContact CG2-CG 4.04Å; I272-L276 PolarHBondContact O-N 2.9Å |
| 273 | L | 93.9 | Very high | 88 | Confident | 52 Ų | 52 | 60.7 Ų | 60.7 | 27% | 0.272 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.5 | -44.4 | -171.2 | -173.5 | 62 | 0 | 0 | 0 | 114.1 | D240 V269 V275 L276 Q277 | D240-L273 HydrophobicContact CB-CD1 4.2Å; V269-L273 VanDerWaalsContact O-CB 3.29Å; V269-L273 WeakPolarHBondContact O-CB 3.25Å; V269-L273 PolarHBondContact O-N 2.72Å; L273-V275 VanDerWaalsContact C-N 3.27Å; L273-V275 PolarHBondContact O-N 3.46Å; L273-L276 PolarHBondContact O-N 2.9Å; L273-Q277 WeakPolarHBondContact O-CG 3.33Å; L273-Q277 PolarHBondContact O-N 3.47Å |
| 274 | P | 93.8 | Very high | 88 | Confident | 65 Ų | 65 | 61.2 Ų | 61.2 | 42% | 0.422 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.5 | -34.4 | 176.6 | -22.7 | 34.5 | 0 | 0 | 0 | 112.7 | S270 M278 | S270-P274 WeakPolarHBondContact O-CD 3.48Å; S270-P274 WeakPolarHBondContact O-CG 3.41Å; P274-M278 WeakPolarHBondContact O-CG 3.4Å; P274-M278 PolarHBondContact O-N 3.34Å |
| 275 | V | 94 | Very high | 87.9 | Confident | 13 Ų | 13 | 63.5 Ų | 63.5 | 8% | 0.079 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -72.4 | -40.6 | 179.9 | -175.3 | 0 | 0 | 0 | 0 | 111.2 | I179 A183 I272 L273 Q277 M278 V279 | I179-V275 HydrophobicContact CB-CG1 4.29Å; I179-V275 HydrophobicContact CG1-CG1 4.13Å; I179-V275 HydrophobicContact CG2-CB 4.31Å; I179-V275 HydrophobicContact CG2-CG1 4.23Å; A183-V275 HydrophobicContact CB-CG2 4.06Å; I272-V275 PolarHBondContact O-N 2.56Å; I272-V275 VanDerWaalsContact O-N 3.07Å; L273-V275 VanDerWaalsContact C-N 3.27Å; L273-V275 PolarHBondContact O-N 3.46Å; V275-Q277 VanDerWaalsContact C-N 3.29Å; V275-Q277 PolarHBondContact O-N 2.82Å; V275-M278 HydrophobicContact CB-CE 4.33Å; V275-M278 HydrophobicContact CG2-CE 4.14Å; V275-M278 PolarHBondContact O-N 2.9Å; V275-M278 VanDerWaalsContact O-N 3.17Å; V275-V279 HydrophobicContact CG1-CG2 4.32Å; V275-V279 WeakPolarHBondContact O-CG2 3.24Å; V275-V279 PolarHBondContact O-N 3.46Å |
| 276 | L | 90 | Very high | 87.5 | Confident | 34 Ų | 34 | 67.3 Ų | 67.3 | 18% | 0.178 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -57.2 | -43.3 | 174.2 | -83.2 | 162.9 | 0 | 0 | 0 | 112.4 | I179 T214 I239 I272 L273 M278 V279 G280 | I179-L276 HydrophobicContact CD1-CD2 3.34Å; I179-L276 HydrophobicContact CD1-CG 3.96Å; I179-L276 HydrophobicContact CG1-CD2 4.41Å; I179-L276 HydrophobicContact CG2-CG 4.4Å; T214-L276 HydrophobicContact CG2-CD2 4.1Å; I239-L276 HydrophobicContact CB-CD1 4.38Å; I239-L276 HydrophobicContact CD1-CD1 4.11Å; I239-L276 HydrophobicContact CG1-CD1 3.24Å; I239-L276 HydrophobicContact CG2-CD1 4.29Å; I272-L276 HydrophobicContact CG2-CD1 3.43Å; I272-L276 VanDerWaalsContact CG2-CD1 3.43Å; I272-L276 HydrophobicContact CG2-CG 4.04Å; I272-L276 PolarHBondContact O-N 2.9Å; L273-L276 PolarHBondContact O-N 2.9Å; L276-M278 VanDerWaalsContact C-N 3.3Å; L276-M278 PolarHBondContact O-N 3.17Å; L276-V279 PolarHBondContact O-N 2.58Å; L276-G280 PolarHBondContact O-N 3.03Å |
| 277 | Q | 88.1 | Confident | 87 | Confident | 128 Ų | 128 | 62.8 Ų | 62.8 | 60% | 0.598 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -64.8 | -34.1 | 178.3 | -68.8 | 174 | -11.7 | 0 | 0 | 112.3 | L273 V275 S281 | L273-Q277 WeakPolarHBondContact O-CG 3.33Å; L273-Q277 PolarHBondContact O-N 3.47Å; V275-Q277 VanDerWaalsContact C-N 3.29Å; V275-Q277 PolarHBondContact O-N 2.82Å; Q277-S281 PolarHBondContact O-OG 3.38Å |
| 278 | M | 87.2 | Confident | 86.5 | Confident | 128 Ų | 128 | 64.8 Ų | 64.8 | 63% | 0.631 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -73.7 | -31.1 | 174.7 | -68.8 | -173.5 | -65.7 | 0 | 0 | 113.6 | P274 V275 L276 S281 | P274-M278 WeakPolarHBondContact O-CG 3.4Å; P274-M278 PolarHBondContact O-N 3.34Å; V275-M278 HydrophobicContact CB-CE 4.33Å; V275-M278 HydrophobicContact CG2-CE 4.14Å; V275-M278 PolarHBondContact O-N 2.9Å; V275-M278 VanDerWaalsContact O-N 3.17Å; L276-M278 VanDerWaalsContact C-N 3.3Å; L276-M278 PolarHBondContact O-N 3.17Å; M278-S281 PolarHBondContact O-OG 3.09Å |
| 279 | V | 79.5 | Confident | 85.9 | Confident | 75 Ų | 75 | 69.8 Ų | 69.8 | 46% | 0.455 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -84.8 | -27.8 | -179.9 | 175.8 | 0 | 0 | 0 | 0 | 112.1 | I179 V275 L276 | I179-V279 HydrophobicContact CG1-CG2 4.36Å; V275-V279 HydrophobicContact CG1-CG2 4.32Å; V275-V279 WeakPolarHBondContact O-CG2 3.24Å; V275-V279 PolarHBondContact O-N 3.46Å; L276-V279 PolarHBondContact O-N 2.58Å |
| 280 | G | 66.7 | Low | 85.1 | Confident | 76 Ų | 76 | 74.8 Ų | 74.8 | 78% | 0.784 | 45% | 0.445 | S | S | * | . | trans | -85.4 | -3.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | L276 | L276-G280 PolarHBondContact O-N 3.03Š| ||
| 281 | S | 43.9 | Very low | 84.2 | Confident | 147 Ų | 147 | 75.5 Ų | 75.5 | 100% | 1.028 | 44% | 0.443 | S | S | * | . | trans | -100.8 | 0 | 173.1 | 45.3 | 0 | 0 | 0 | 0 | 111.8 | Q277 M278 | Q277-S281 PolarHBondContact O-OG 3.38Å; M278-S281 PolarHBondContact O-OG 3.09Å |
Retrieved 281 of 281 residues in 271.2 ms
(Link to these results)