| 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 | 35.9 | Very low | 42 | Very low | 227 Ų | 227 | 149.7 Ų | 149.7 | 100% | 1.118 | 84% | 0.836 | S | S | * | * | 0 | 147.1 | 0 | -72.6 | 68.1 | 160.7 | 0 | 0 | 108.4 | |||||
| 2 | C | 38.8 | Very low | 42.4 | Very low | 114 Ų | 114 | 143.4 Ų | 143.4 | 77% | 0.77 | 82% | 0.817 | S | S | * | * | trans | 19.3 | 145.6 | 146.8 | -56.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 3 | D | 40.4 | Very low | 42.9 | Very low | 157 Ų | 157 | 142.7 Ų | 142.7 | 84% | 0.84 | 82% | 0.822 | S | S | * | * | cis | 177.9 | 146.5 | -4.1 | -111.6 | -68.8 | 0 | 0 | 0 | 103.2 | ||||
| 4 | G | 39.5 | Very low | 43.3 | Very low | 67 Ų | 67 | 139.9 Ų | 139.9 | 69% | 0.691 | 81% | 0.814 | S | S | * | * | trans | -157.5 | 59.5 | -163.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 5 | M | 41.4 | Very low | 43.9 | Very low | 189 Ų | 189 | 137.7 Ų | 137.7 | 93% | 0.931 | 81% | 0.81 | S | S | * | * | trans | 0.6 | 112.7 | 166 | -74.5 | 174.3 | -88.2 | 0 | 0 | 118 | ||||
| 6 | V | 46.6 | Very low | 44.5 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 72% | 0.721 | 80% | 0.804 | S | S | * | * | trans | -95.5 | 113 | 157.2 | -174.8 | 0 | 0 | 0 | 0 | 108.3 | F8 | V6-F8 PolarHBondContact O-N 3.49Š| ||
| 7 | A | 43.3 | Very low | 45.1 | Very low | 96 Ų | 96 | 130.4 Ų | 130.4 | 79% | 0.793 | 78% | 0.777 | S | S | * | * | trans | -78.8 | 115 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 8 | F | 43.8 | Very low | 45.8 | Very low | 176 Ų | 176 | 128.9 Ų | 128.9 | 77% | 0.772 | 77% | 0.769 | S | S | * | * | trans | -84.1 | 132 | 168.6 | -66.6 | -84.7 | 0 | 0 | 0 | 109.9 | V6 T10 | V6-F8 PolarHBondContact O-N 3.49Å; F8-T10 PolarHBondContact O-N 2.91Å | ||
| 9 | P | 45 | Very low | 46.5 | Very low | 123 Ų | 123 | 125.3 Ų | 125.3 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | trans | -69.7 | 116.9 | 179 | 27.2 | -33 | 0 | 0 | 0 | 110.7 | R11 | P9-R11 PolarHBondContact O-N 3.33Š| ||
| 10 | T | 43.7 | Very low | 47.1 | Very low | 141 Ų | 141 | 126.1 Ų | 126.1 | 87% | 0.865 | 75% | 0.749 | S | S | * | * | trans | -68.8 | 95.1 | 173 | 36.4 | 0 | 0 | 0 | 0 | 110.4 | F8 A12 | F8-T10 PolarHBondContact O-N 2.91Å; T10-A12 PolarHBondContact O-N 2.89Å; T10-A12 VanDerWaalsContact O-N 3.13Å | ||
| 11 | R | 44.1 | Very low | 47.8 | Very low | 238 Ų | 238 | 129.3 Ų | 129.3 | 90% | 0.898 | 75% | 0.748 | S | S | * | * | trans | -66 | 111.7 | 171.3 | -171.1 | 172.9 | -175.5 | 158.1 | 0.7 | 109.2 | P9 | P9-R11 PolarHBondContact O-N 3.33Š| ||
| 12 | A | 47 | Very low | 49 | Very low | 74 Ų | 74 | 123.8 Ų | 123.8 | 61% | 0.612 | 72% | 0.723 | S | S | * | * | trans | -57.3 | 144 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T10 S14 | T10-A12 PolarHBondContact O-N 2.89Å; T10-A12 VanDerWaalsContact O-N 3.13Å; A12-S14 PolarHBondContact O-N 2.9Å | ||
| 13 | P | 48.4 | Very low | 50.2 | Low | 134 Ų | 134 | 120.6 Ų | 120.6 | 87% | 0.87 | 71% | 0.705 | S | S | * | * | trans | -73.1 | 89.4 | 175.4 | 30.5 | -33.8 | 0 | 0 | 0 | 110 | S15 | P13-S15 PolarHBondContact O-N 3.29Š| ||
| 14 | S | 48.6 | Very low | 51.5 | Low | 103 Ų | 103 | 115.5 Ų | 115.5 | 72% | 0.72 | 68% | 0.684 | S | S | * | * | trans | -68.9 | 116.6 | 175.4 | 55.8 | 0 | 0 | 0 | 0 | 111.1 | A12 | A12-S14 PolarHBondContact O-N 2.9Š| ||
| 15 | S | 52.4 | Low | 52.8 | Low | 107 Ų | 107 | 115.2 Ų | 115.2 | 75% | 0.748 | 67% | 0.672 | S | S | * | * | trans | 49.8 | 81.7 | 161.9 | -168.3 | 0 | 0 | 0 | 0 | 115.2 | P13 S17 | P13-S15 PolarHBondContact O-N 3.29Å; S15-S17 PolarHBondContact O-N 3.44Å | ||
| 16 | S | 53.3 | Low | 53.9 | Low | 102 Ų | 102 | 108.2 Ų | 108.2 | 71% | 0.713 | 64% | 0.644 | S | S | * | * | trans | -65.5 | 90.4 | 162.8 | 44.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 17 | S | 54.7 | Low | 54.8 | Low | 49 Ų | 49 | 107.9 Ų | 107.9 | 34% | 0.343 | 64% | 0.638 | S | S | . | * | trans | -45.8 | 144.3 | -163.8 | -175.6 | 0 | 0 | 0 | 0 | 114.6 | S15 A19 H20 R21 | S15-S17 PolarHBondContact O-N 3.44Å; S17-A19 PolarHBondContact O-N 2.76Å; S17-A19 VanDerWaalsContact O-N 3.11Å; S17-A19 VanDerWaalsContact OG-CB 3.29Å; S17-A19 WeakPolarHBondContact OG-CB 3.35Å; S17-A19 PolarHBondContact OG-N 3.28Å; S17-H20 WeakPolarHBondContact O-CB 3.31Å; S17-H20 PolarHBondContact O-N 2.9Å; S17-R21 PolarHBondContact O-N 3.45Å | ||
| 18 | V | 58.3 | Low | 55.7 | Low | 105 Ų | 105 | 108.2 Ų | 108.2 | 64% | 0.636 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -52.1 | -31.2 | 165.1 | 178.7 | 0 | 0 | 0 | 0 | 110.5 | H20 R21 L22 | V18-H20 VanDerWaalsContact C-N 3.33Å; V18-H20 PolarHBondContact O-N 3.5Å; V18-R21 PolarHBondContact O-N 2.84Å; V18-R21 VanDerWaalsContact O-N 3.16Å; V18-L22 HydrophobicContact CG1-CD1 3.96Å; V18-L22 HydrophobicContact CG1-CG 4.2Å; V18-L22 WeakPolarHBondContact O-CG 3.49Å; V18-L22 PolarHBondContact O-N 3.18Å |
| 19 | A | 58 | Low | 56.6 | Low | 60 Ų | 60 | 105.9 Ų | 105.9 | 50% | 0.496 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -61.2 | -34.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S17 A23 | S17-A19 PolarHBondContact O-N 2.76Å; S17-A19 VanDerWaalsContact O-N 3.11Å; S17-A19 VanDerWaalsContact OG-CB 3.29Å; S17-A19 WeakPolarHBondContact OG-CB 3.35Å; S17-A19 PolarHBondContact OG-N 3.28Å; A19-A23 WeakPolarHBondContact O-CB 3.28Å; A19-A23 PolarHBondContact O-N 2.96Å |
| 20 | H | 58.8 | Low | 57.3 | Low | 141 Ų | 141 | 106.6 Ų | 106.6 | 65% | 0.653 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -68.2 | -37.2 | 173.7 | -97.3 | -72.2 | 0 | 0 | 0 | 111.9 | S17 V18 A24 | S17-H20 WeakPolarHBondContact O-CB 3.31Å; S17-H20 PolarHBondContact O-N 2.9Å; V18-H20 VanDerWaalsContact C-N 3.33Å; V18-H20 PolarHBondContact O-N 3.5Å; H20-A24 VanDerWaalsContact O-CB 3.27Å; H20-A24 WeakPolarHBondContact O-CB 3.31Å; H20-A24 PolarHBondContact O-N 3.36Å |
| 21 | R | 61.5 | Low | 58.1 | Low | 193 Ų | 193 | 105.7 Ų | 105.7 | 73% | 0.728 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -70.1 | -42.3 | 176.3 | -66.2 | -173.2 | 179.7 | -126.3 | 1.4 | 111.5 | S17 V18 A24 S25 | S17-R21 PolarHBondContact O-N 3.45Å; V18-R21 PolarHBondContact O-N 2.84Å; V18-R21 VanDerWaalsContact O-N 3.16Å; R21-A24 PolarHBondContact O-N 2.83Å; R21-S25 PolarHBondContact O-N 2.99Å; R21-S25 PolarHBondContact O-OG 3.47Å |
| 22 | L | 61.9 | Low | 58.8 | Low | 111 Ų | 111 | 100.7 Ų | 100.7 | 58% | 0.581 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.2 | -40.3 | 175.3 | -69.3 | 173.9 | 0 | 0 | 0 | 112.3 | V18 S25 A26 | V18-L22 HydrophobicContact CG1-CD1 3.96Å; V18-L22 HydrophobicContact CG1-CG 4.2Å; V18-L22 WeakPolarHBondContact O-CG 3.49Å; V18-L22 PolarHBondContact O-N 3.18Å; L22-S25 WeakPolarHBondContact CA-OG 3.17Å; L22-S25 PolarHBondContact O-N 3.23Å; L22-S25 PolarHBondContact O-OG 3.11Å; L22-A26 VanDerWaalsContact O-CB 3.27Å; L22-A26 WeakPolarHBondContact O-CB 3.48Å; L22-A26 PolarHBondContact O-N 3.47Å |
| 23 | A | 64.4 | Low | 59.2 | Low | 47 Ų | 47 | 102 Ų | 102 | 39% | 0.388 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.6 | -42.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | A19 A26 L27 | A19-A23 WeakPolarHBondContact O-CB 3.28Å; A19-A23 PolarHBondContact O-N 2.96Å; A23-A26 PolarHBondContact O-N 3.4Å; A23-L27 WeakPolarHBondContact O-CB 3.47Å; A23-L27 WeakPolarHBondContact O-CG 3.05Å; A23-L27 PolarHBondContact O-N 2.88Å |
| 24 | A | 66.7 | Low | 59.6 | Low | 50 Ų | 50 | 101.2 Ų | 101.2 | 41% | 0.413 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.4 | -41.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | H20 R21 L28 | H20-A24 VanDerWaalsContact O-CB 3.27Å; H20-A24 WeakPolarHBondContact O-CB 3.31Å; H20-A24 PolarHBondContact O-N 3.36Å; R21-A24 PolarHBondContact O-N 2.83Å; A24-L28 WeakPolarHBondContact O-CB 3.31Å; A24-L28 PolarHBondContact O-N 3.45Å |
| 25 | S | 67.2 | Low | 59.9 | Low | 61 Ų | 61 | 102.7 Ų | 102.7 | 43% | 0.427 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68.5 | -35.7 | 175 | 57.7 | 0 | 0 | 0 | 0 | 112.9 | R21 L22 L28 L29 | R21-S25 PolarHBondContact O-N 2.99Å; R21-S25 PolarHBondContact O-OG 3.47Å; L22-S25 WeakPolarHBondContact CA-OG 3.17Å; L22-S25 PolarHBondContact O-N 3.23Å; L22-S25 PolarHBondContact O-OG 3.11Å; S25-L28 PolarHBondContact O-N 2.98Å; S25-L29 PolarHBondContact O-N 2.83Å |
| 26 | A | 65.2 | Low | 59.9 | Low | 42 Ų | 42 | 100.7 Ų | 100.7 | 35% | 0.347 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67.1 | -44.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L22 A23 L28 L29 F30 | L22-A26 VanDerWaalsContact O-CB 3.27Å; L22-A26 WeakPolarHBondContact O-CB 3.48Å; L22-A26 PolarHBondContact O-N 3.47Å; A23-A26 PolarHBondContact O-N 3.4Å; A26-L28 VanDerWaalsContact C-N 3.35Å; A26-L28 PolarHBondContact O-N 3.05Å; A26-L29 WeakPolarHBondContact O-CB 3.49Å; A26-L29 PolarHBondContact O-N 3.28Å; A26-L29 VanDerWaalsContact O-N 3.12Å; A26-F30 VanDerWaalsContact O-CD2 3.26Å; A26-F30 WeakPolarHBondContact O-CD2 3.35Å; A26-F30 PolarHBondContact O-N 3.17Å |
| 27 | L | 64.4 | Low | 60.1 | Low | 112 Ų | 112 | 103.3 Ų | 103.3 | 59% | 0.586 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -60 | -42.3 | 173.4 | -82.3 | 160.3 | 0 | 0 | 0 | 111.9 | A23 L29 F30 I31 | A23-L27 WeakPolarHBondContact O-CB 3.47Å; A23-L27 WeakPolarHBondContact O-CG 3.05Å; A23-L27 PolarHBondContact O-N 2.88Å; L27-L29 VanDerWaalsContact C-N 3.34Å; L27-L29 PolarHBondContact O-N 3.38Å; L27-F30 PolarHBondContact O-N 3.4Å; L27-I31 WeakPolarHBondContact O-CD1 3.26Å; L27-I31 VanDerWaalsContact O-CG1 3.25Å; L27-I31 WeakPolarHBondContact O-CG1 3.48Å; L27-I31 PolarHBondContact O-N 3.02Å |
| 28 | L | 62.9 | Low | 60.2 | Low | 104 Ų | 104 | 104.6 Ų | 104.6 | 55% | 0.545 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -61.6 | -39.8 | 172 | -94.4 | 154.8 | 0 | 0 | 0 | 112.4 | A24 S25 A26 I31 L32 | A24-L28 WeakPolarHBondContact O-CB 3.31Å; A24-L28 PolarHBondContact O-N 3.45Å; S25-L28 PolarHBondContact O-N 2.98Å; A26-L28 VanDerWaalsContact C-N 3.35Å; A26-L28 PolarHBondContact O-N 3.05Å; L28-I31 PolarHBondContact O-N 3.46Å; L28-L32 WeakPolarHBondContact O-CB 3.35Å; L28-L32 VanDerWaalsContact O-CG 3.3Å; L28-L32 WeakPolarHBondContact O-CG 3.3Å; L28-L32 PolarHBondContact O-N 3.19Å |
| 29 | L | 61.2 | Low | 60.9 | Low | 127 Ų | 127 | 103.3 Ų | 103.3 | 67% | 0.665 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64 | -39.5 | 173.6 | -127.5 | 81.2 | 0 | 0 | 0 | 112.2 | S25 A26 L27 L32 L33 | S25-L29 PolarHBondContact O-N 2.83Å; A26-L29 WeakPolarHBondContact O-CB 3.49Å; A26-L29 PolarHBondContact O-N 3.28Å; A26-L29 VanDerWaalsContact O-N 3.12Å; L27-L29 VanDerWaalsContact C-N 3.34Å; L27-L29 PolarHBondContact O-N 3.38Å; L29-L32 PolarHBondContact O-N 3.4Å; L29-L33 PolarHBondContact O-N 2.93Å |
| 30 | F | 60 | Low | 62 | Low | 137 Ų | 137 | 101.2 Ų | 101.2 | 60% | 0.601 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.6 | -33.2 | 174.9 | -85.2 | -71.1 | 0 | 0 | 0 | 112.9 | A26 L27 L33 H35 | A26-F30 VanDerWaalsContact O-CD2 3.26Å; A26-F30 WeakPolarHBondContact O-CD2 3.35Å; A26-F30 PolarHBondContact O-N 3.17Å; L27-F30 PolarHBondContact O-N 3.4Å; F30-L33 HydrophobicContact CD1-CD1 3.95Å; F30-L33 HydrophobicContact CE1-CD1 4.3Å; F30-H35 PolarHBondContact O-CE1 3.35Å |
| 31 | I | 61 | Low | 63.5 | Low | 122 Ų | 122 | 94.5 Ų | 94.5 | 63% | 0.626 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -74 | -31.1 | 174.7 | -66.7 | 161.3 | 0 | 0 | 0 | 111.6 | L27 L28 | L27-I31 WeakPolarHBondContact O-CD1 3.26Å; L27-I31 VanDerWaalsContact O-CG1 3.25Å; L27-I31 WeakPolarHBondContact O-CG1 3.48Å; L27-I31 PolarHBondContact O-N 3.02Å; L28-I31 PolarHBondContact O-N 3.46Å |
| 32 | L | 58.3 | Low | 64.7 | Low | 134 Ų | 134 | 88.6 Ų | 88.6 | 70% | 0.702 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -83 | -14.9 | 177.3 | -72.3 | 174.7 | 0 | 0 | 0 | 114.2 | L28 L29 | L28-L32 WeakPolarHBondContact O-CB 3.35Å; L28-L32 VanDerWaalsContact O-CG 3.3Å; L28-L32 WeakPolarHBondContact O-CG 3.3Å; L28-L32 PolarHBondContact O-N 3.19Å; L29-L32 PolarHBondContact O-N 3.4Å |
| 33 | L | 55.8 | Low | 65.9 | Low | 100 Ų | 100 | 86.5 Ų | 86.5 | 52% | 0.524 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -61.5 | 124.2 | 163.2 | -85.1 | 164 | 0 | 0 | 0 | 107.8 | L29 F30 H35 | L29-L33 PolarHBondContact O-N 2.93Å; F30-L33 HydrophobicContact CD1-CD1 3.95Å; F30-L33 HydrophobicContact CE1-CD1 4.3Å; L33-H35 PolarHBondContact O-N 3.45Å; L33-H35 PolarHBondContact O-ND1 2.93Å |
| 34 | P | 57.8 | Low | 66.8 | Low | 119 Ų | 119 | 85.5 Ų | 85.5 | 77% | 0.773 | 51% | 0.511 | S | S | * | . | trans | -62.2 | 108.6 | 174.6 | 25.9 | -32 | 0 | 0 | 0 | 106.9 | G36 | P34-G36 PolarHBondContact O-N 3.37Š| ||
| 35 | H | 53.6 | Low | 67.5 | Low | 133 Ų | 133 | 90.2 Ų | 90.2 | 62% | 0.616 | 53% | 0.529 | S | S | * | . | trans | -69 | 76.1 | 162.8 | -71 | 76.4 | 0 | 0 | 0 | 106.4 | F30 L33 H37 | F30-H35 PolarHBondContact O-CE1 3.35Å; L33-H35 PolarHBondContact O-N 3.45Å; L33-H35 PolarHBondContact O-ND1 2.93Å; H35-H37 PolarHBondContact O-N 3.31Å; H35-H37 PolarHBondContact O-ND1 3.44Å | ||
| 36 | G | 53.6 | Low | 68 | Low | 66 Ų | 66 | 98.7 Ų | 98.7 | 68% | 0.68 | 55% | 0.552 | S | S | * | * | trans | -57.7 | 86.7 | 156.8 | 0 | 0 | 0 | 0 | 0 | 105.8 | P34 A38 | P34-G36 PolarHBondContact O-N 3.37Å; G36-A38 VanDerWaalsContact C-N 3.33Å; G36-A38 PolarHBondContact O-N 2.9Å | ||
| 37 | H | 55.8 | Low | 69 | Low | 157 Ų | 157 | 97.7 Ų | 97.7 | 73% | 0.727 | 54% | 0.541 | S | S | * | . | trans | -55.6 | 110.5 | 162.4 | -71.1 | 67.4 | 0 | 0 | 0 | 103.1 | H35 S39 | H35-H37 PolarHBondContact O-N 3.31Å; H35-H37 PolarHBondContact O-ND1 3.44Å; H37-S39 PolarHBondContact O-N 2.92Å | ||
| 38 | A | 57.2 | Low | 70 | Confident | 76 Ų | 76 | 99.2 Ų | 99.2 | 63% | 0.628 | 55% | 0.545 | S | S | * | . | trans | -70.9 | 68.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | G36 G40 P65 | G36-A38 VanDerWaalsContact C-N 3.33Å; G36-A38 PolarHBondContact O-N 2.9Å; A38-G40 VanDerWaalsContact C-N 3.31Å; A38-G40 PolarHBondContact O-N 3.26Å; A38-P65 HydrophobicContact CB-CG 4.36Å | ||
| 39 | S | 72.8 | Confident | 71.1 | Confident | 77 Ų | 77 | 97.4 Ų | 97.4 | 54% | 0.538 | 53% | 0.534 | S | S | . | . | trans | -64.6 | 98 | 171.8 | 50.4 | 0 | 0 | 0 | 0 | 105.9 | H37 G91 | H37-S39 PolarHBondContact O-N 2.92Å; S39-G91 WeakPolarHBondContact O-CA 3.45Å | ||
| 40 | G | 82.7 | Confident | 72.4 | Confident | 17 Ų | 17 | 92.3 Ų | 92.3 | 18% | 0.175 | 51% | 0.512 | C | S | . | . | P | Polyproline II helix | trans | -53.8 | 153 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | A38 A42 Y63 | A38-G40 VanDerWaalsContact C-N 3.31Å; A38-G40 PolarHBondContact O-N 3.26Å; G40-A42 PolarHBondContact O-N 2.86Å; G40-Y63 CarbonylContact C-O 3.54Å; G40-Y63 WeakPolarHBondContact CA-O 3.31Å |
| 41 | C | 88.5 | Confident | 73.7 | Confident | 0 Ų | 0 | 88.5 Ų | 88.5 | 0% | 0 | 50% | 0.502 | C | S | . | . | B | Isolated β-bridge | trans | -56.7 | 137.4 | -179.3 | -60.8 | 0 | 0 | 0 | 0 | 111.1 | S62 Y63 C87 G91 V92 W93 | C41-S62 WeakPolarHBondContact O-CA 3.21Å; C41-Y63 PolarHBondContact N-O 3.08Å; C41-Y63 PolarHBondContact O-N 3.03Å; C41-C87 HydrophobicContact CB-CB 3.92Å; C41-C87 WeakPolarHBondContact CB-SG 3.23Å; C41-C87 PolarHBondContact N-SG 3.15Å; C41-C87 WeakPolarHBondContact SG-CA 3.44Å; C41-C87 WeakPolarHBondContact SG-CB 3.3Å; C41-C87 CovalentContact SG-SG 2.03Å; C41-C87 PolarHBondContact SG-SG 3.38Å; C41-G91 WeakPolarHBondContact CA-O 3.49Å; C41-V92 PolarHBondContact SG-N 3.48Å; C41-V92 PolarHBondContact SG-O 2.91Å; C41-V92 VanDerWaalsContact SG-O 3.39Å; C41-W93 HydrophobicContact CB-CD2 3.92Å; C41-W93 VanDerWaalsContact CB-CE2 3.46Å; C41-W93 HydrophobicContact CB-CG 4.29Å; C41-W93 HydrophobicContact CB-CH2 4.31Å; C41-W93 HydrophobicContact CB-CZ2 3.68Å |
| 42 | A | 88.3 | Confident | 74.9 | Confident | 68 Ų | 68 | 83.9 Ų | 83.9 | 56% | 0.562 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -63 | 152 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | G40 W93 | G40-A42 PolarHBondContact O-N 2.86Å; A42-W93 PolarHBondContact O-NE1 2.89Å |
| 43 | P | 86.6 | Confident | 76.2 | Confident | 67 Ų | 67 | 82.3 Ų | 82.3 | 44% | 0.435 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 134.2 | 178.3 | -24.8 | 35.9 | 0 | 0 | 0 | 111.3 | Q60 V61 Y63 | P43-Q60 WeakPolarHBondContact CG-O 3.18Å; P43-V61 VanDerWaalsContact CD-O 3.31Å; P43-V61 WeakPolarHBondContact CD-O 3.11Å; P43-V61 WeakPolarHBondContact CG-O 3.33Å; P43-Y63 HydrophobicContact CB-CE2 4.08Å; P43-Y63 HydrophobicContact CG-CE2 4.23Å |
| 44 | P | 82.4 | Confident | 76.9 | Confident | 26 Ų | 26 | 80.7 Ų | 80.7 | 17% | 0.169 | 46% | 0.462 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 150.8 | 179.4 | 27.9 | -35.3 | 0 | 0 | 0 | 111 | L69 F71 P97 | P44-L69 HydrophobicContact CG-CD1 3.61Å; P44-F71 HydrophobicContact CB-CE1 4.46Å; P44-F71 HydrophobicContact CB-CZ 3.9Å; P44-F71 HydrophobicContact CG-CE1 4.29Å; P44-F71 HydrophobicContact CG-CZ 3.86Å; P44-P97 HydrophobicContact CB-CG 3.89Å |
| 45 | L | 81.9 | Confident | 77 | Confident | 150 Ų | 150 | 82.3 Ų | 82.3 | 79% | 0.785 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 145.8 | 171.4 | -63.9 | 175.7 | 0 | 0 | 0 | 110.4 | V47 | L45-V47 PolarHBondContact O-N 3.49Š|
| 46 | R | 78.6 | Confident | 77.1 | Confident | 239 Ų | 239 | 82.7 Ų | 82.7 | 90% | 0.902 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 128 | 175.8 | -78 | -168.5 | 168.6 | -175.1 | -3.7 | 110.3 | ||
| 47 | V | 85 | Confident | 77.3 | Confident | 20 Ų | 20 | 81 Ų | 81 | 12% | 0.121 | 45% | 0.446 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 128.9 | 172.6 | 179.1 | 0 | 0 | 0 | 0 | 108.7 | L45 H49 G50 F71 P97 P98 C100 | L45-V47 PolarHBondContact O-N 3.49Å; V47-H49 PolarHBondContact O-N 2.82Å; V47-G50 PolarHBondContact O-N 2.99Å; V47-F71 HydrophobicContact CG2-CD1 3.68Å; V47-F71 HydrophobicContact CG2-CE1 3.85Å; V47-F71 HydrophobicContact CG2-CG 4.47Å; V47-P97 HydrophobicContact CG2-CB 3.57Å; V47-P98 VanDerWaalsContact CG1-O 3.24Å; V47-P98 WeakPolarHBondContact CG1-O 3.21Å; V47-C100 HydrophobicContact CG1-CB 4.28Å |
| 48 | Q | 86.5 | Confident | 77.3 | Confident | 144 Ų | 144 | 76.2 Ų | 76.2 | 67% | 0.673 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | 130.3 | 175.6 | -172.3 | 61.4 | 47.6 | 0 | 0 | 109.4 | G50 C100 | Q48-G50 VanDerWaalsContact C-N 3.26Å; Q48-G50 PolarHBondContact O-N 2.63Å; Q48-C100 WeakPolarHBondContact O-CB 3.48Å |
| 49 | H | 86.1 | Confident | 77.5 | Confident | 67 Ų | 67 | 80.4 Ų | 80.4 | 31% | 0.31 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 33.7 | -170.4 | -47 | 113.6 | 0 | 0 | 0 | 114.3 | V47 C73 D74 Y77 C100 | V47-H49 PolarHBondContact O-N 2.82Å; H49-C73 WeakPolarHBondContact O-CA 3.44Å; H49-D74 VanDerWaalsContact CA-OD2 3.22Å; H49-D74 WeakPolarHBondContact CA-OD2 3.32Å; H49-D74 HydrophobicContact CB-CB 4.43Å; H49-D74 PolarHBondContact O-N 3.29Å; H49-Y77 HydrophobicContact CB-CD1 3.79Å; H49-Y77 HydrophobicContact CB-CD2 3.86Å; H49-Y77 HydrophobicContact CB-CE1 3.87Å; H49-Y77 HydrophobicContact CB-CE2 3.91Å; H49-Y77 HydrophobicContact CB-CG 3.82Å; H49-Y77 AromaticContact CD2-CE2 4Å; H49-Y77 AromaticContact CD2-CZ 3.81Å; H49-Y77 AromaticContact CE1-CZ 3.86Å; H49-Y77 PolarHBondContact CE1-OH 3.36Å; H49-Y77 AromaticContact CG-CE1 3.64Å; H49-Y77 AromaticContact CG-CE2 3.8Å; H49-Y77 AromaticContact CG-CZ 3.47Å; H49-Y77 VanDerWaalsContact CG-CZ 3.47Å; H49-Y77 AromaticContact ND1-CE1 3.39Å; H49-Y77 WeakPolarHBondContact ND1-CE1 3.48Å; H49-Y77 AromaticContact ND1-CZ 3.51Å; H49-C100 HydrophobicContact CB-CB 4.28Å; H49-C100 WeakPolarHBondContact O-CB 3Å; H49-C100 PolarHBondContact O-SG 3.35Å; H49-C100 VanDerWaalsContact O-SG 3.34Å |
| 50 | G | 87.1 | Confident | 77.5 | Confident | 19 Ų | 19 | 80.5 Ų | 80.5 | 20% | 0.196 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 163.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | V47 Q48 G72 | V47-G50 PolarHBondContact O-N 2.99Å; Q48-G50 VanDerWaalsContact C-N 3.26Å; Q48-G50 PolarHBondContact O-N 2.63Å; G50-G72 CarbonylContact C-O 3.51Å; G50-G72 WeakPolarHBondContact CA-O 3.42Å |
| 51 | S | 87.8 | Confident | 77.4 | Confident | 58 Ų | 58 | 85.8 Ų | 85.8 | 41% | 0.406 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 159.4 | -176.2 | 56.8 | 0 | 0 | 0 | 0 | 111.4 | F71 G72 | S51-F71 WeakPolarHBondContact O-CA 3.48Å; S51-G72 PolarHBondContact N-O 3.08Å; S51-G72 PolarHBondContact O-N 2.92Å |
| 52 | L | 87.5 | Confident | 77.2 | Confident | 25 Ų | 25 | 88.7 Ų | 88.7 | 13% | 0.131 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 122.1 | 170.4 | -72.6 | 171.6 | 0 | 0 | 0 | 109.1 | N54 Q55 L69 F71 | L52-N54 VanDerWaalsContact C-N 3.32Å; L52-Q55 WeakPolarHBondContact O-CG 3.37Å; L52-L69 HydrophobicContact CD1-CD1 4.44Å; L52-L69 HydrophobicContact CD1-CD2 4.36Å; L52-L69 HydrophobicContact CD2-CB 4.09Å; L52-L69 HydrophobicContact CD2-CD1 4.11Å; L52-L69 HydrophobicContact CD2-CD2 4.04Å; L52-L69 HydrophobicContact CD2-CG 4.32Å; L52-F71 HydrophobicContact CD2-CD1 3.63Å; L52-F71 HydrophobicContact CD2-CE1 3.43Å; L52-F71 VanDerWaalsContact CD2-CE1 3.43Å; L52-F71 HydrophobicContact CD2-CE2 4.35Å; L52-F71 HydrophobicContact CD2-CG 4.18Å; L52-F71 HydrophobicContact CD2-CZ 3.82Å; L52-F71 HydrophobicContact CG-CD1 4.4Å; L52-F71 HydrophobicContact CG-CE1 4.21Å |
| 53 | L | 83.7 | Confident | 77.2 | Confident | 101 Ų | 101 | 85.5 Ų | 85.5 | 53% | 0.529 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -69.7 | -34.2 | 177 | -63.9 | 178.3 | 0 | 0 | 0 | 111.2 | Q55 T70 | L53-Q55 PolarHBondContact O-N 3.49Å; L53-T70 HydrophobicContact CD1-CG2 3.99Å; L53-T70 PolarHBondContact N-O 3.37Å |
| 54 | N | 72.4 | Confident | 77.3 | Confident | 65 Ų | 65 | 85.6 Ų | 85.6 | 35% | 0.348 | 46% | 0.457 | S | S | . | . | trans | -79.8 | 66.9 | 172.7 | -67.2 | -7.1 | 0 | 0 | 0 | 110.1 | L52 T56 E57 Q68 | L52-N54 VanDerWaalsContact C-N 3.32Å; N54-T56 PolarHBondContact O-N 3.47Å; N54-E57 PolarHBondContact O-N 3.33Å; N54-Q68 PolarHBondContact ND2-O 2.94Å | ||
| 55 | Q | 59 | Low | 77.7 | Confident | 154 Ų | 154 | 87 Ų | 87 | 72% | 0.72 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -58.9 | -23.1 | -171.8 | -65.7 | -179 | 17 | 0 | 0 | 114.3 | L52 L53 E57 S58 | L52-Q55 WeakPolarHBondContact O-CG 3.37Å; L53-Q55 PolarHBondContact O-N 3.49Å; Q55-E57 PolarHBondContact O-N 2.77Å; Q55-S58 PolarHBondContact O-N 3.47Å |
| 56 | T | 55.4 | Low | 78 | Confident | 141 Ų | 141 | 82.8 Ų | 82.8 | 87% | 0.865 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -60.5 | -24.6 | 179.1 | 48.5 | 0 | 0 | 0 | 0 | 114.1 | N54 | N54-T56 PolarHBondContact O-N 3.47Š|
| 57 | E | 57.9 | Low | 78.4 | Confident | 30 Ų | 30 | 72.2 Ų | 72.2 | 14% | 0.14 | 42% | 0.421 | C | S | . | . | G | 310 helix | trans | -103.2 | -8.7 | -175.9 | -132 | 178.4 | 176.5 | 0 | 0 | 112.5 | N54 Q55 N59 Q60 Y63 S67 | N54-E57 PolarHBondContact O-N 3.33Å; Q55-E57 PolarHBondContact O-N 2.77Å; E57-N59 PolarHBondContact O-N 2.94Å; E57-Q60 HydrophobicContact CG-CB 4.3Å; E57-Q60 VanDerWaalsContact O-CB 3.23Å; E57-Q60 WeakPolarHBondContact O-CB 3.36Å; E57-Q60 PolarHBondContact O-N 2.84Å; E57-Y63 HydrophobicContact CB-CE1 3.71Å; E57-Y63 HydrophobicContact CG-CD1 3.9Å; E57-Y63 HydrophobicContact CG-CE1 3.45Å; E57-Y63 VanDerWaalsContact CG-CE1 3.45Å; E57-Y63 PolarHBondContact O-OH 2.85Å; E57-Y63 VanDerWaalsContact OE1-CD1 3.3Å; E57-Y63 WeakPolarHBondContact OE1-CD1 3.26Å; E57-Y63 WeakPolarHBondContact OE2-CE1 3.24Å; E57-S67 PolarHBondContact OE1-OG 3.43Å |
| 58 | S | 56.9 | Low | 78.7 | Confident | 57 Ų | 57 | 76.7 Ų | 76.7 | 40% | 0.399 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -14 | -172.1 | -175.8 | 0 | 0 | 0 | 0 | 115.8 | Q55 | Q55-S58 PolarHBondContact O-N 3.47Š|
| 59 | N | 60.7 | Low | 78.8 | Confident | 164 Ų | 164 | 69.8 Ų | 69.8 | 88% | 0.877 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.1 | 8.6 | 175.8 | -85.4 | -19.3 | 0 | 0 | 0 | 112.9 | E57 | E57-N59 PolarHBondContact O-N 2.94Š|
| 60 | Q | 72.6 | Confident | 79 | Confident | 78 Ų | 78 | 68.1 Ų | 68.1 | 36% | 0.364 | 40% | 0.403 | S | S | . | . | trans | -79 | 136.1 | -178.9 | -151.2 | 167.4 | -73.5 | 0 | 0 | 111 | P43 E57 S62 | P43-Q60 WeakPolarHBondContact CG-O 3.18Å; E57-Q60 HydrophobicContact CG-CB 4.3Å; E57-Q60 VanDerWaalsContact O-CB 3.23Å; E57-Q60 WeakPolarHBondContact O-CB 3.36Å; E57-Q60 PolarHBondContact O-N 2.84Å; Q60-S62 VanDerWaalsContact C-N 3.33Å; Q60-S62 WeakPolarHBondContact CG-O 3.22Å; Q60-S62 PolarHBondContact NE2-O 3.31Å | ||
| 61 | V | 79.8 | Confident | 79.1 | Confident | 129 Ų | 129 | 67.7 Ų | 67.7 | 78% | 0.782 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -73.8 | -25.5 | -177 | -179.4 | 0 | 0 | 0 | 0 | 112.1 | P43 | P43-V61 VanDerWaalsContact CD-O 3.31Å; P43-V61 WeakPolarHBondContact CD-O 3.11Å; P43-V61 WeakPolarHBondContact CG-O 3.33Å |
| 62 | S | 85.9 | Confident | 79.2 | Confident | 60 Ų | 60 | 65.5 Ų | 65.5 | 42% | 0.42 | 38% | 0.382 | S | S | . | . | trans | -157.4 | 154 | 173.7 | 58 | 0 | 0 | 0 | 0 | 111.2 | C41 Q60 | C41-S62 WeakPolarHBondContact O-CA 3.21Å; Q60-S62 VanDerWaalsContact C-N 3.33Å; Q60-S62 WeakPolarHBondContact CG-O 3.22Å; Q60-S62 PolarHBondContact NE2-O 3.31Å | ||
| 63 | Y | 86.8 | Confident | 79.3 | Confident | 2 Ų | 2 | 65.7 Ų | 65.7 | 1% | 0.008 | 39% | 0.385 | C | S | . | . | B | Isolated β-bridge | trans | -110.9 | 117.2 | -173.5 | -72.2 | -101.3 | 0 | 0 | 0 | 110.3 | G40 C41 P43 E57 L69 C87 W93 | G40-Y63 CarbonylContact C-O 3.54Å; G40-Y63 WeakPolarHBondContact CA-O 3.31Å; C41-Y63 PolarHBondContact N-O 3.08Å; C41-Y63 PolarHBondContact O-N 3.03Å; P43-Y63 HydrophobicContact CB-CE2 4.08Å; P43-Y63 HydrophobicContact CG-CE2 4.23Å; E57-Y63 HydrophobicContact CB-CE1 3.71Å; E57-Y63 HydrophobicContact CG-CD1 3.9Å; E57-Y63 HydrophobicContact CG-CE1 3.45Å; E57-Y63 VanDerWaalsContact CG-CE1 3.45Å; E57-Y63 PolarHBondContact O-OH 2.85Å; E57-Y63 VanDerWaalsContact OE1-CD1 3.3Å; E57-Y63 WeakPolarHBondContact OE1-CD1 3.26Å; E57-Y63 WeakPolarHBondContact OE2-CE1 3.24Å; Y63-L69 HydrophobicContact CD1-CD1 4.18Å; Y63-L69 HydrophobicContact CD1-CD2 4.31Å; Y63-L69 HydrophobicContact CD1-CG 4.25Å; Y63-L69 HydrophobicContact CE1-CD1 3.65Å; Y63-L69 HydrophobicContact CE1-CD2 3.52Å; Y63-L69 HydrophobicContact CE1-CG 3.81Å; Y63-C87 PolarHBondContact O-SG 2.69Å; Y63-C87 VanDerWaalsContact O-SG 3.36Å; Y63-W93 AromaticContact CD1-CH2 3.77Å; Y63-W93 HydrophobicContact CD1-CH2 3.77Å; Y63-W93 HydrophobicContact CD1-CZ2 4.1Å; Y63-W93 HydrophobicContact CD2-CH2 4.29Å; Y63-W93 AromaticContact CD2-CZ2 3.78Å; Y63-W93 HydrophobicContact CD2-CZ2 3.78Å; Y63-W93 HydrophobicContact CE1-CH2 4.42Å; Y63-W93 HydrophobicContact CE2-CZ2 4.39Å; Y63-W93 AromaticContact CG-CH2 3.67Å; Y63-W93 HydrophobicContact CG-CH2 3.67Å; Y63-W93 AromaticContact CG-CZ2 3.62Å; Y63-W93 HydrophobicContact CG-CZ2 3.62Å |
| 64 | P | 88.9 | Confident | 79.6 | Confident | 69 Ų | 69 | 63.9 Ų | 63.9 | 45% | 0.448 | 38% | 0.376 | S | S | . | . | trans | -59.1 | 151.9 | -178.7 | 25.1 | -34.4 | 0 | 0 | 0 | 112.1 | G66 S67 | P64-G66 PolarHBondContact O-N 2.88Å; P64-S67 WeakPolarHBondContact CD-OG 3.3Å; P64-S67 WeakPolarHBondContact CG-OG 3.16Å; P64-S67 WeakPolarHBondContact O-CB 3.42Å; P64-S67 PolarHBondContact O-N 3.09Å; P64-S67 PolarHBondContact O-OG 3.38Å | ||
| 65 | P | 90.6 | Very high | 80 | Confident | 54 Ų | 54 | 67 Ų | 67 | 35% | 0.351 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | 130.5 | 171.2 | -29.6 | 37.7 | 0 | 0 | 0 | 111.7 | A38 T88 | A38-P65 HydrophobicContact CB-CG 4.36Å; P65-T88 WeakPolarHBondContact CB-O 3.13Å |
| 66 | G | 88.1 | Confident | 80.8 | Confident | 62 Ų | 62 | 61.9 Ų | 61.9 | 64% | 0.639 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.4 | -12.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | P64 C87 | P64-G66 PolarHBondContact O-N 2.88Å; G66-C87 PolarHBondContact N-O 3Å |
| 67 | S | 88.4 | Confident | 82.2 | Confident | 17 Ų | 17 | 58.1 Ų | 58.1 | 12% | 0.119 | 36% | 0.359 | C | S | . | . | trans | -57.9 | 139.4 | 170.6 | -83.3 | 0 | 0 | 0 | 0 | 111.1 | E57 P64 F86 C87 | E57-S67 PolarHBondContact OE1-OG 3.43Å; P64-S67 WeakPolarHBondContact CD-OG 3.3Å; P64-S67 WeakPolarHBondContact CG-OG 3.16Å; P64-S67 WeakPolarHBondContact O-CB 3.42Å; P64-S67 PolarHBondContact O-N 3.09Å; P64-S67 PolarHBondContact O-OG 3.38Å; S67-F86 CarbonylContact O-C 3.59Å; S67-F86 WeakPolarHBondContact O-CA 3.44Å; S67-C87 PolarHBondContact O-N 2.73Å | ||
| 68 | Q | 90.3 | Very high | 83.4 | Confident | 114 Ų | 114 | 58.1 Ų | 58.1 | 53% | 0.533 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 120.9 | -178 | -176 | -178.8 | 47.7 | 0 | 0 | 110.6 | N54 T84 V85 | N54-Q68 PolarHBondContact ND2-O 2.94Å; Q68-T84 HydrophobicContact CG-CG2 3.57Å; Q68-V85 WeakPolarHBondContact CA-O 3.36Å |
| 69 | L | 88.8 | Confident | 84.9 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 132.8 | 176.9 | -73 | -177.4 | 0 | 0 | 0 | 110.8 | P44 L52 Y63 T84 V85 W93 | P44-L69 HydrophobicContact CG-CD1 3.61Å; L52-L69 HydrophobicContact CD1-CD1 4.44Å; L52-L69 HydrophobicContact CD1-CD2 4.36Å; L52-L69 HydrophobicContact CD2-CB 4.09Å; L52-L69 HydrophobicContact CD2-CD1 4.11Å; L52-L69 HydrophobicContact CD2-CD2 4.04Å; L52-L69 HydrophobicContact CD2-CG 4.32Å; Y63-L69 HydrophobicContact CD1-CD1 4.18Å; Y63-L69 HydrophobicContact CD1-CD2 4.31Å; Y63-L69 HydrophobicContact CD1-CG 4.25Å; Y63-L69 HydrophobicContact CE1-CD1 3.65Å; Y63-L69 HydrophobicContact CE1-CD2 3.52Å; Y63-L69 HydrophobicContact CE1-CG 3.81Å; L69-T84 CarbonylContact O-C 3.48Å; L69-T84 WeakPolarHBondContact O-CA 3.35Å; L69-V85 HydrophobicContact CB-CG2 3.93Å; L69-V85 PolarHBondContact N-O 3.04Å; L69-V85 PolarHBondContact O-N 3.27Å; L69-W93 HydrophobicContact CB-CH2 4.49Å; L69-W93 HydrophobicContact CB-CZ3 4.47Å; L69-W93 HydrophobicContact CD1-CH2 3.41Å; L69-W93 VanDerWaalsContact CD1-CH2 3.41Å; L69-W93 HydrophobicContact CD1-CZ2 3.64Å; L69-W93 HydrophobicContact CD1-CZ3 4.11Å; L69-W93 HydrophobicContact CG-CH2 3.73Å; L69-W93 HydrophobicContact CG-CZ2 4.45Å; L69-W93 HydrophobicContact CG-CZ3 4.17Å |
| 70 | T | 90.4 | Very high | 86 | Confident | 32 Ų | 32 | 54.8 Ų | 54.8 | 20% | 0.196 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 124.2 | 171.8 | -56.9 | 0 | 0 | 0 | 0 | 109.5 | L53 A83 T84 | L53-T70 HydrophobicContact CD1-CG2 3.99Å; L53-T70 PolarHBondContact N-O 3.37Å; T70-A83 WeakPolarHBondContact CA-O 3.33Å; T70-T84 PolarHBondContact OG1-OG1 2.95Å |
| 71 | F | 89.3 | Confident | 86.4 | Confident | 10 Ų | 10 | 53.1 Ų | 53.1 | 4% | 0.044 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 136.6 | 176.4 | -62.9 | -89.9 | 0 | 0 | 0 | 110.2 | P44 V47 S51 L52 A83 V85 P97 P98 | P44-F71 HydrophobicContact CB-CE1 4.46Å; P44-F71 HydrophobicContact CB-CZ 3.9Å; P44-F71 HydrophobicContact CG-CE1 4.29Å; P44-F71 HydrophobicContact CG-CZ 3.86Å; V47-F71 HydrophobicContact CG2-CD1 3.68Å; V47-F71 HydrophobicContact CG2-CE1 3.85Å; V47-F71 HydrophobicContact CG2-CG 4.47Å; S51-F71 WeakPolarHBondContact O-CA 3.48Å; L52-F71 HydrophobicContact CD2-CD1 3.63Å; L52-F71 HydrophobicContact CD2-CE1 3.43Å; L52-F71 VanDerWaalsContact CD2-CE1 3.43Å; L52-F71 HydrophobicContact CD2-CE2 4.35Å; L52-F71 HydrophobicContact CD2-CG 4.18Å; L52-F71 HydrophobicContact CD2-CZ 3.82Å; L52-F71 HydrophobicContact CG-CD1 4.4Å; L52-F71 HydrophobicContact CG-CE1 4.21Å; F71-A83 PolarHBondContact N-O 3.49Å; F71-V85 HydrophobicContact CE2-CG1 4.37Å; F71-V85 HydrophobicContact CE2-CG2 3.82Å; F71-P97 HydrophobicContact CE1-CB 3.99Å; F71-P97 HydrophobicContact CE1-CG 4.34Å; F71-P97 HydrophobicContact CE2-CB 4.03Å; F71-P97 HydrophobicContact CE2-CG 4.36Å; F71-P97 HydrophobicContact CZ-CB 3.71Å; F71-P97 HydrophobicContact CZ-CG 3.8Å; F71-P98 HydrophobicContact CB-CG 3.84Å; F71-P98 HydrophobicContact CD2-CG 4.26Å; F71-P98 HydrophobicContact CG-CG 4.17Å |
| 72 | G | 89.4 | Confident | 86.7 | Confident | 11 Ų | 11 | 50.6 Ų | 50.6 | 11% | 0.113 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 149.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | G50 S51 | G50-G72 CarbonylContact C-O 3.51Å; G50-G72 WeakPolarHBondContact CA-O 3.42Å; S51-G72 PolarHBondContact N-O 3.08Å; S51-G72 PolarHBondContact O-N 2.92Å |
| 73 | C | 90.3 | Very high | 86.9 | Confident | 29 Ų | 29 | 49.1 Ų | 49.1 | 20% | 0.196 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 152.5 | 170.8 | -63.4 | 0 | 0 | 0 | 0 | 110.8 | H49 T78 P79 C100 | H49-C73 WeakPolarHBondContact O-CA 3.44Å; C73-T78 VanDerWaalsContact SG-C 3.52Å; C73-P79 VanDerWaalsContact SG-N 3.38Å; C73-C100 WeakPolarHBondContact CA-SG 3.39Å; C73-C100 HydrophobicContact CB-CB 3.74Å; C73-C100 WeakPolarHBondContact CB-SG 3.3Å; C73-C100 VanDerWaalsContact SG-CA 3.51Å; C73-C100 WeakPolarHBondContact SG-CB 3.22Å; C73-C100 CovalentContact SG-SG 2.04Å; C73-C100 PolarHBondContact SG-SG 2.97Å |
| 74 | D | 88.8 | Confident | 87.1 | Confident | 63 Ų | 63 | 51.6 Ų | 51.6 | 34% | 0.337 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 158.6 | 178.3 | -68.5 | -17.8 | 0 | 0 | 0 | 111.5 | H49 G76 Y77 | H49-D74 VanDerWaalsContact CA-OD2 3.22Å; H49-D74 WeakPolarHBondContact CA-OD2 3.32Å; H49-D74 HydrophobicContact CB-CB 4.43Å; H49-D74 PolarHBondContact O-N 3.29Å; D74-G76 PolarHBondContact O-N 3.12Å; D74-Y77 HydrophobicContact CB-CD2 4.27Å; D74-Y77 WeakPolarHBondContact O-CB 3.47Å; D74-Y77 PolarHBondContact O-N 3.43Å |
| 75 | P | 81.1 | Confident | 87.1 | Confident | 132 Ų | 132 | 48.4 Ų | 48.4 | 86% | 0.857 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 125.5 | 177.2 | -27.1 | 35.7 | 0 | 0 | 0 | 112.2 | ||
| 76 | G | 75.8 | Confident | 87.2 | Confident | 46 Ų | 46 | 51.4 Ų | 51.4 | 47% | 0.474 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | 9.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | D74 N103 | D74-G76 PolarHBondContact O-N 3.12Å; G76-N103 VanDerWaalsContact O-CB 3.27Å; G76-N103 WeakPolarHBondContact O-CB 3.35Å; G76-N103 PolarHBondContact O-N 3.1Å |
| 77 | Y | 85.2 | Confident | 87.3 | Confident | 62 Ų | 62 | 48.6 Ų | 48.6 | 24% | 0.243 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 155.9 | 170.6 | -67.9 | -98.9 | 0 | 0 | 0 | 111.5 | H49 D74 C100 I101 K102 | H49-Y77 HydrophobicContact CB-CD1 3.79Å; H49-Y77 HydrophobicContact CB-CD2 3.86Å; H49-Y77 HydrophobicContact CB-CE1 3.87Å; H49-Y77 HydrophobicContact CB-CE2 3.91Å; H49-Y77 HydrophobicContact CB-CG 3.82Å; H49-Y77 AromaticContact CD2-CE2 4Å; H49-Y77 AromaticContact CD2-CZ 3.81Å; H49-Y77 AromaticContact CE1-CZ 3.86Å; H49-Y77 PolarHBondContact CE1-OH 3.36Å; H49-Y77 AromaticContact CG-CE1 3.64Å; H49-Y77 AromaticContact CG-CE2 3.8Å; H49-Y77 AromaticContact CG-CZ 3.47Å; H49-Y77 VanDerWaalsContact CG-CZ 3.47Å; H49-Y77 AromaticContact ND1-CE1 3.39Å; H49-Y77 WeakPolarHBondContact ND1-CE1 3.48Å; H49-Y77 AromaticContact ND1-CZ 3.51Å; D74-Y77 HydrophobicContact CB-CD2 4.27Å; D74-Y77 WeakPolarHBondContact O-CB 3.47Å; D74-Y77 PolarHBondContact O-N 3.43Å; Y77-C100 HydrophobicContact CD1-CB 4.41Å; Y77-C100 WeakPolarHBondContact CD1-O 3.49Å; Y77-I101 CarbonylContact C-O 3.18Å; Y77-I101 WeakPolarHBondContact CA-O 3.35Å; Y77-I101 WeakPolarHBondContact CB-O 3.3Å; Y77-I101 VanDerWaalsContact CD1-C 3.48Å; Y77-I101 WeakPolarHBondContact CD1-O 3.47Å; Y77-K102 VanDerWaalsContact CD1-CA 3.48Å; Y77-K102 HydrophobicContact CD1-CB 4.13Å; Y77-K102 HydrophobicContact CE1-CB 3.74Å; Y77-K102 HydrophobicContact CE1-CG 4.23Å |
| 78 | T | 84 | Confident | 87.5 | Confident | 29 Ų | 29 | 49.3 Ų | 49.3 | 18% | 0.178 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 146.7 | 176.5 | 41.9 | 0 | 0 | 0 | 0 | 110.6 | C73 D80 C100 I101 N103 | C73-T78 VanDerWaalsContact SG-C 3.52Å; T78-D80 PolarHBondContact O-N 3.17Å; T78-C100 CarbonylContact O-C 3.59Å; T78-C100 WeakPolarHBondContact O-CA 3.25Å; T78-I101 PolarHBondContact N-O 3Å; T78-I101 VanDerWaalsContact O-CG1 3.26Å; T78-I101 WeakPolarHBondContact O-CG1 3.36Å; T78-I101 PolarHBondContact O-N 3.16Å; T78-N103 HydrophobicContact CG2-CB 4.12Å; T78-N103 WeakPolarHBondContact CG2-OD1 3.28Å |
| 79 | P | 86.9 | Confident | 87.5 | Confident | 53 Ų | 53 | 48.2 Ų | 48.2 | 34% | 0.344 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 126.6 | 178.7 | 29 | -32.7 | 0 | 0 | 0 | 110.4 | C73 G81 A83 P98 | C73-P79 VanDerWaalsContact SG-N 3.38Å; P79-G81 PolarHBondContact O-N 3.29Å; P79-A83 HydrophobicContact CG-CB 4.35Å; P79-P98 HydrophobicContact CB-CB 4.09Å; P79-P98 HydrophobicContact CB-CG 4.32Å |
| 80 | D | 85.4 | Confident | 87.5 | Confident | 98 Ų | 98 | 54 Ų | 54 | 52% | 0.524 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 102.2 | 167.2 | -178.2 | 29.1 | 0 | 0 | 0 | 109.2 | T78 N99 I101 | T78-D80 PolarHBondContact O-N 3.17Å; D80-N99 HydrophobicContact CB-CB 4.41Å; D80-N99 WeakPolarHBondContact CB-O 3.14Å; D80-N99 PolarHBondContact N-O 2.8Å; D80-I101 HydrophobicContact CB-CG1 4.45Å; D80-I101 HydrophobicContact CB-CG2 4.06Å |
| 81 | G | 80.6 | Confident | 87.3 | Confident | 44 Ų | 44 | 53.3 Ų | 53.3 | 45% | 0.454 | 34% | 0.335 | S | S | . | . | S | Bend | trans | 93 | -163.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | P79 A83 | P79-G81 PolarHBondContact O-N 3.29Å; G81-A83 PolarHBondContact O-N 3Å |
| 82 | P | 85 | Confident | 87.3 | Confident | 75 Ų | 75 | 57.2 Ų | 57.2 | 49% | 0.487 | 36% | 0.359 | S | S | . | . | trans | -65.6 | 122.4 | -174.7 | -21.1 | 33.5 | 0 | 0 | 0 | 112.6 | T84 | P82-T84 PolarHBondContact O-N 3.49Š| ||
| 83 | A | 90.1 | Very high | 87.4 | Confident | 29 Ų | 29 | 58.8 Ų | 58.8 | 24% | 0.24 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -71.9 | -9.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | T70 F71 P79 G81 | T70-A83 WeakPolarHBondContact CA-O 3.33Å; F71-A83 PolarHBondContact N-O 3.49Å; P79-A83 HydrophobicContact CG-CB 4.35Å; G81-A83 PolarHBondContact O-N 3Å |
| 84 | T | 90.9 | Very high | 87.5 | Confident | 54 Ų | 54 | 59.2 Ų | 59.2 | 33% | 0.331 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 134.1 | -171.5 | -55.1 | 0 | 0 | 0 | 0 | 111.5 | Q68 L69 T70 P82 | Q68-T84 HydrophobicContact CG-CG2 3.57Å; L69-T84 CarbonylContact O-C 3.48Å; L69-T84 WeakPolarHBondContact O-CA 3.35Å; T70-T84 PolarHBondContact OG1-OG1 2.95Å; P82-T84 PolarHBondContact O-N 3.49Å |
| 85 | V | 90.7 | Very high | 87.5 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.012 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 156.1 | 176.1 | -56 | 0 | 0 | 0 | 0 | 110.4 | Q68 L69 F71 W93 R95 | Q68-V85 WeakPolarHBondContact CA-O 3.36Å; L69-V85 HydrophobicContact CB-CG2 3.93Å; L69-V85 PolarHBondContact N-O 3.04Å; L69-V85 PolarHBondContact O-N 3.27Å; F71-V85 HydrophobicContact CE2-CG1 4.37Å; F71-V85 HydrophobicContact CE2-CG2 3.82Å; V85-W93 HydrophobicContact CB-CE3 4.31Å; V85-W93 HydrophobicContact CG2-CD2 4.28Å; V85-W93 HydrophobicContact CG2-CE3 3.67Å; V85-W93 HydrophobicContact CG2-CZ3 4.05Å; V85-R95 HydrophobicContact CG1-CB 4.17Å |
| 86 | F | 91.6 | Very high | 87.8 | Confident | 117 Ų | 117 | 62.3 Ų | 62.3 | 51% | 0.513 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 149 | 176.6 | 60.1 | -90.4 | 0 | 0 | 0 | 111.4 | S67 T88 S94 | S67-F86 CarbonylContact O-C 3.59Å; S67-F86 WeakPolarHBondContact O-CA 3.44Å; F86-T88 HydrophobicContact CE2-CG2 4.2Å; F86-S94 WeakPolarHBondContact CD1-OG 3.45Å; F86-S94 VanDerWaalsContact CE1-CB 3.41Å; F86-S94 VanDerWaalsContact CZ-CB 3.44Å; F86-S94 PolarHBondContact N-OG 2.94Å; F86-S94 WeakPolarHBondContact O-CB 3.37Å; F86-S94 PolarHBondContact O-N 2.76Å; F86-S94 PolarHBondContact O-OG 3.4Å |
| 87 | C | 91.2 | Very high | 88.4 | Confident | 3 Ų | 3 | 61.9 Ų | 61.9 | 2% | 0.02 | 36% | 0.359 | C | S | . | . | B | Isolated β-bridge | trans | -81.5 | 125.3 | 176.1 | -174.8 | 0 | 0 | 0 | 0 | 110.2 | C41 Y63 G66 S67 W93 | C41-C87 HydrophobicContact CB-CB 3.92Å; C41-C87 WeakPolarHBondContact CB-SG 3.23Å; C41-C87 PolarHBondContact N-SG 3.15Å; C41-C87 WeakPolarHBondContact SG-CA 3.44Å; C41-C87 WeakPolarHBondContact SG-CB 3.3Å; C41-C87 CovalentContact SG-SG 2.03Å; C41-C87 PolarHBondContact SG-SG 3.38Å; Y63-C87 PolarHBondContact O-SG 2.69Å; Y63-C87 VanDerWaalsContact O-SG 3.36Å; G66-C87 PolarHBondContact N-O 3Å; S67-C87 PolarHBondContact O-N 2.73Å; C87-W93 HydrophobicContact CB-CE3 4.17Å; C87-W93 HydrophobicContact CB-CH2 4.22Å; C87-W93 HydrophobicContact CB-CZ3 3.84Å |
| 88 | T | 91.5 | Very high | 88.6 | Confident | 32 Ų | 32 | 59.3 Ų | 59.3 | 20% | 0.196 | 35% | 0.35 | C | S | . | . | trans | -77.6 | 168.4 | 178.3 | 70 | 0 | 0 | 0 | 0 | 112.1 | P65 F86 D90 G91 V92 | P65-T88 WeakPolarHBondContact CB-O 3.13Å; F86-T88 HydrophobicContact CE2-CG2 4.2Å; T88-D90 PolarHBondContact O-N 2.73Å; T88-D90 VanDerWaalsContact O-N 3.13Å; T88-D90 PolarHBondContact OG1-N 3.16Å; T88-G91 PolarHBondContact O-N 3.31Å; T88-V92 WeakPolarHBondContact CG2-O 3.42Å; T88-V92 PolarHBondContact N-O 3.05Å; T88-V92 PolarHBondContact OG1-N 3.04Å; T88-V92 PolarHBondContact OG1-O 2.76Å; T88-V92 VanDerWaalsContact OG1-O 3.07Å | ||
| 89 | S | 89.6 | Confident | 88.8 | Confident | 92 Ų | 92 | 63.2 Ų | 63.2 | 64% | 0.643 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -27 | 168.4 | 45.6 | 0 | 0 | 0 | 0 | 113.5 | G91 | S89-G91 VanDerWaalsContact C-N 3.31Å; S89-G91 PolarHBondContact O-N 2.63Å |
| 90 | D | 89 | Confident | 88.9 | Confident | 121 Ų | 121 | 61.5 Ų | 61.5 | 65% | 0.647 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | 5.1 | -169.3 | -38.8 | -35.5 | 0 | 0 | 0 | 111.8 | T88 V92 | T88-D90 PolarHBondContact O-N 2.73Å; T88-D90 VanDerWaalsContact O-N 3.13Å; T88-D90 PolarHBondContact OG1-N 3.16Å; D90-V92 VanDerWaalsContact C-N 3.35Å |
| 91 | G | 87 | Confident | 88.9 | Confident | 18 Ų | 18 | 60.8 Ų | 60.8 | 19% | 0.186 | 35% | 0.354 | C | S | . | . | S | Bend | trans | 77 | 18.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | S39 C41 T88 S89 | S39-G91 WeakPolarHBondContact O-CA 3.45Å; C41-G91 WeakPolarHBondContact CA-O 3.49Å; T88-G91 PolarHBondContact O-N 3.31Å; S89-G91 VanDerWaalsContact C-N 3.31Å; S89-G91 PolarHBondContact O-N 2.63Å |
| 92 | V | 89.9 | Confident | 89 | Confident | 91 Ų | 91 | 64.2 Ų | 64.2 | 55% | 0.552 | 36% | 0.357 | S | S | * | . | trans | -116.6 | 142.6 | -177.9 | -174.2 | 0 | 0 | 0 | 0 | 110.1 | C41 T88 D90 | C41-V92 PolarHBondContact SG-N 3.48Å; C41-V92 PolarHBondContact SG-O 2.91Å; C41-V92 VanDerWaalsContact SG-O 3.39Å; T88-V92 WeakPolarHBondContact CG2-O 3.42Å; T88-V92 PolarHBondContact N-O 3.05Å; T88-V92 PolarHBondContact OG1-N 3.04Å; T88-V92 PolarHBondContact OG1-O 2.76Å; T88-V92 VanDerWaalsContact OG1-O 3.07Å; D90-V92 VanDerWaalsContact C-N 3.35Å | ||
| 93 | W | 90.8 | Very high | 88.6 | Confident | 44 Ų | 44 | 61.9 Ų | 61.9 | 17% | 0.167 | 34% | 0.34 | C | S | . | . | B | Isolated β-bridge | trans | -68.7 | 137 | 172.2 | -70.2 | 110.7 | 0 | 0 | 0 | 110.8 | C41 A42 Y63 L69 V85 C87 R95 | C41-W93 HydrophobicContact CB-CD2 3.92Å; C41-W93 VanDerWaalsContact CB-CE2 3.46Å; C41-W93 HydrophobicContact CB-CG 4.29Å; C41-W93 HydrophobicContact CB-CH2 4.31Å; C41-W93 HydrophobicContact CB-CZ2 3.68Å; A42-W93 PolarHBondContact O-NE1 2.89Å; Y63-W93 AromaticContact CD1-CH2 3.77Å; Y63-W93 HydrophobicContact CD1-CH2 3.77Å; Y63-W93 HydrophobicContact CD1-CZ2 4.1Å; Y63-W93 HydrophobicContact CD2-CH2 4.29Å; Y63-W93 AromaticContact CD2-CZ2 3.78Å; Y63-W93 HydrophobicContact CD2-CZ2 3.78Å; Y63-W93 HydrophobicContact CE1-CH2 4.42Å; Y63-W93 HydrophobicContact CE2-CZ2 4.39Å; Y63-W93 AromaticContact CG-CH2 3.67Å; Y63-W93 HydrophobicContact CG-CH2 3.67Å; Y63-W93 AromaticContact CG-CZ2 3.62Å; Y63-W93 HydrophobicContact CG-CZ2 3.62Å; L69-W93 HydrophobicContact CB-CH2 4.49Å; L69-W93 HydrophobicContact CB-CZ3 4.47Å; L69-W93 HydrophobicContact CD1-CH2 3.41Å; L69-W93 VanDerWaalsContact CD1-CH2 3.41Å; L69-W93 HydrophobicContact CD1-CZ2 3.64Å; L69-W93 HydrophobicContact CD1-CZ3 4.11Å; L69-W93 HydrophobicContact CG-CH2 3.73Å; L69-W93 HydrophobicContact CG-CZ2 4.45Å; L69-W93 HydrophobicContact CG-CZ3 4.17Å; V85-W93 HydrophobicContact CB-CE3 4.31Å; V85-W93 HydrophobicContact CG2-CD2 4.28Å; V85-W93 HydrophobicContact CG2-CE3 3.67Å; V85-W93 HydrophobicContact CG2-CZ3 4.05Å; C87-W93 HydrophobicContact CB-CE3 4.17Å; C87-W93 HydrophobicContact CB-CH2 4.22Å; C87-W93 HydrophobicContact CB-CZ3 3.84Å; W93-R95 WeakPolarHBondContact CB-O 3.29Å; W93-R95 PolarHBondContact O-N 3.36Å |
| 94 | S | 91.9 | Very high | 88.1 | Confident | 38 Ų | 38 | 65.1 Ų | 65.1 | 27% | 0.266 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -53.5 | -30.9 | 179.1 | 62.2 | 0 | 0 | 0 | 0 | 114.3 | F86 | F86-S94 WeakPolarHBondContact CD1-OG 3.45Å; F86-S94 VanDerWaalsContact CE1-CB 3.41Å; F86-S94 VanDerWaalsContact CZ-CB 3.44Å; F86-S94 PolarHBondContact N-OG 2.94Å; F86-S94 WeakPolarHBondContact O-CB 3.37Å; F86-S94 PolarHBondContact O-N 2.76Å; F86-S94 PolarHBondContact O-OG 3.4Å |
| 95 | R | 88.8 | Confident | 87.8 | Confident | 161 Ų | 161 | 66.2 Ų | 66.2 | 61% | 0.608 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -153.7 | 162.2 | -179.1 | -60.9 | -175.3 | -176.7 | -111.8 | -4 | 109.1 | V85 W93 | V85-R95 HydrophobicContact CG1-CB 4.17Å; W93-R95 WeakPolarHBondContact CB-O 3.29Å; W93-R95 PolarHBondContact O-N 3.36Å |
| 96 | S | 88.9 | Confident | 87.7 | Confident | 99 Ų | 99 | 66.2 Ų | 66.2 | 69% | 0.692 | 35% | 0.353 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 156.3 | 166.5 | 54 | 0 | 0 | 0 | 0 | 111.5 | ||
| 97 | P | 86.4 | Confident | 87.5 | Confident | 37 Ų | 37 | 64.8 Ų | 64.8 | 24% | 0.24 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -55.1 | 149 | 167.8 | -24.3 | 35.1 | 0 | 0 | 0 | 112.1 | P44 V47 F71 | P44-P97 HydrophobicContact CB-CG 3.89Å; V47-P97 HydrophobicContact CG2-CB 3.57Å; F71-P97 HydrophobicContact CE1-CB 3.99Å; F71-P97 HydrophobicContact CE1-CG 4.34Å; F71-P97 HydrophobicContact CE2-CB 4.03Å; F71-P97 HydrophobicContact CE2-CG 4.36Å; F71-P97 HydrophobicContact CZ-CB 3.71Å; F71-P97 HydrophobicContact CZ-CG 3.8Å |
| 98 | P | 89.8 | Confident | 87.3 | Confident | 8 Ų | 8 | 69.6 Ų | 69.6 | 5% | 0.052 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -72 | 155.1 | 176.5 | 32.6 | -37.1 | 0 | 0 | 0 | 111.2 | V47 F71 P79 | V47-P98 VanDerWaalsContact CG1-O 3.24Å; V47-P98 WeakPolarHBondContact CG1-O 3.21Å; F71-P98 HydrophobicContact CB-CG 3.84Å; F71-P98 HydrophobicContact CD2-CG 4.26Å; F71-P98 HydrophobicContact CG-CG 4.17Å; P79-P98 HydrophobicContact CB-CB 4.09Å; P79-P98 HydrophobicContact CB-CG 4.32Å |
| 99 | N | 89.1 | Confident | 87.1 | Confident | 112 Ų | 112 | 68.8 Ų | 68.8 | 60% | 0.599 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 133.1 | 168.3 | -65.7 | -56.3 | 0 | 0 | 0 | 109.4 | D80 I101 | D80-N99 HydrophobicContact CB-CB 4.41Å; D80-N99 WeakPolarHBondContact CB-O 3.14Å; D80-N99 PolarHBondContact N-O 2.8Å; N99-I101 PolarHBondContact O-N 3.23Å |
| 100 | C | 88.8 | Confident | 86.9 | Confident | 16 Ų | 16 | 69.1 Ų | 69.1 | 11% | 0.108 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 104.1 | 171.2 | -69.1 | 0 | 0 | 0 | 0 | 109.7 | V47 Q48 H49 C73 Y77 T78 | V47-C100 HydrophobicContact CG1-CB 4.28Å; Q48-C100 WeakPolarHBondContact O-CB 3.48Å; H49-C100 HydrophobicContact CB-CB 4.28Å; H49-C100 WeakPolarHBondContact O-CB 3Å; H49-C100 PolarHBondContact O-SG 3.35Å; H49-C100 VanDerWaalsContact O-SG 3.34Å; C73-C100 WeakPolarHBondContact CA-SG 3.39Å; C73-C100 HydrophobicContact CB-CB 3.74Å; C73-C100 WeakPolarHBondContact CB-SG 3.3Å; C73-C100 VanDerWaalsContact SG-CA 3.51Å; C73-C100 WeakPolarHBondContact SG-CB 3.22Å; C73-C100 CovalentContact SG-SG 2.04Å; C73-C100 PolarHBondContact SG-SG 2.97Å; Y77-C100 HydrophobicContact CD1-CB 4.41Å; Y77-C100 WeakPolarHBondContact CD1-O 3.49Å; T78-C100 CarbonylContact O-C 3.59Å; T78-C100 WeakPolarHBondContact O-CA 3.25Å |
| 101 | I | 84.7 | Confident | 86.9 | Confident | 84 Ų | 84 | 69.1 Ų | 69.1 | 43% | 0.431 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 143.6 | 176.9 | 55.3 | 167.2 | 0 | 0 | 0 | 110.4 | Y77 T78 D80 N99 N103 | Y77-I101 CarbonylContact C-O 3.18Å; Y77-I101 WeakPolarHBondContact CA-O 3.35Å; Y77-I101 WeakPolarHBondContact CB-O 3.3Å; Y77-I101 VanDerWaalsContact CD1-C 3.48Å; Y77-I101 WeakPolarHBondContact CD1-O 3.47Å; T78-I101 PolarHBondContact N-O 3Å; T78-I101 VanDerWaalsContact O-CG1 3.26Å; T78-I101 WeakPolarHBondContact O-CG1 3.36Å; T78-I101 PolarHBondContact O-N 3.16Å; D80-I101 HydrophobicContact CB-CG1 4.45Å; D80-I101 HydrophobicContact CB-CG2 4.06Å; N99-I101 PolarHBondContact O-N 3.23Å; I101-N103 PolarHBondContact O-N 2.78Å |
| 102 | K | 82.8 | Confident | 87.1 | Confident | 116 Ų | 116 | 68.8 Ų | 68.8 | 50% | 0.504 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 123.2 | 178.6 | -172.7 | 174.4 | -179.7 | -179.9 | 0 | 108.7 | Y77 Y104 | Y77-K102 VanDerWaalsContact CD1-CA 3.48Å; Y77-K102 HydrophobicContact CD1-CB 4.13Å; Y77-K102 HydrophobicContact CE1-CB 3.74Å; Y77-K102 HydrophobicContact CE1-CG 4.23Å; K102-Y104 VanDerWaalsContact C-N 3.32Å; K102-Y104 HydrophobicContact CB-CD2 4.41Å; K102-Y104 HydrophobicContact CB-CE2 3.96Å; K102-Y104 HydrophobicContact CD-CE1 4.1Å; K102-Y104 HydrophobicContact CG-CE2 4.41Å; K102-Y104 WeakPolarHBondContact O-CD2 3.41Å; K102-Y104 PolarHBondContact O-N 3.37Å |
| 103 | N | 78.1 | Confident | 87.2 | Confident | 26 Ų | 26 | 72.5 Ų | 72.5 | 14% | 0.139 | 39% | 0.385 | C | S | . | . | trans | -80.2 | 85 | -178.7 | -163.8 | 53 | 0 | 0 | 0 | 108.7 | G76 T78 I101 V105 I128 | G76-N103 VanDerWaalsContact O-CB 3.27Å; G76-N103 WeakPolarHBondContact O-CB 3.35Å; G76-N103 PolarHBondContact O-N 3.1Å; T78-N103 HydrophobicContact CG2-CB 4.12Å; T78-N103 WeakPolarHBondContact CG2-OD1 3.28Å; I101-N103 PolarHBondContact O-N 2.78Å; N103-V105 WeakPolarHBondContact ND2-CG2 3.33Å; N103-V105 PolarHBondContact O-N 3.09Å; N103-I128 WeakPolarHBondContact OD1-CG2 3.2Å | ||
| 104 | Y | 79.6 | Confident | 87.3 | Confident | 97 Ų | 97 | 73.7 Ų | 73.7 | 38% | 0.38 | 39% | 0.394 | S | S | . | . | trans | -69 | 102 | 172.4 | -59.9 | -88.6 | 0 | 0 | 0 | 109 | K102 I128 H129 N154 | K102-Y104 VanDerWaalsContact C-N 3.32Å; K102-Y104 HydrophobicContact CB-CD2 4.41Å; K102-Y104 HydrophobicContact CB-CE2 3.96Å; K102-Y104 HydrophobicContact CD-CE1 4.1Å; K102-Y104 HydrophobicContact CG-CE2 4.41Å; K102-Y104 WeakPolarHBondContact O-CD2 3.41Å; K102-Y104 PolarHBondContact O-N 3.37Å; Y104-I128 CarbonylContact O-C 3.55Å; Y104-I128 WeakPolarHBondContact O-CA 3.41Å; Y104-H129 PolarHBondContact O-N 2.77Å; Y104-N154 HydrophobicContact CD1-CB 4.32Å; Y104-N154 WeakPolarHBondContact CD1-O 3.01Å; Y104-N154 HydrophobicContact CG-CB 4.47Å | ||
| 105 | V | 84.4 | Confident | 87.4 | Confident | 77 Ų | 77 | 72.2 Ų | 72.2 | 47% | 0.467 | 39% | 0.385 | S | S | . | . | B | Isolated β-bridge | trans | -95 | 121.1 | 179.3 | -177.7 | 0 | 0 | 0 | 0 | 108.7 | N103 L127 | N103-V105 WeakPolarHBondContact ND2-CG2 3.33Å; N103-V105 PolarHBondContact O-N 3.09Å; V105-L127 CarbonylContact C-O 3.36Å; V105-L127 WeakPolarHBondContact CA-O 3.44Å |
| 106 | C | 87.4 | Confident | 87.6 | Confident | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.007 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 139.8 | 168.8 | -65.2 | 0 | 0 | 0 | 0 | 110.5 | L127 C152 G155 E156 W157 | C106-L127 HydrophobicContact CB-CB 4.44Å; C106-L127 PolarHBondContact N-O 2.82Å; C106-C152 HydrophobicContact CB-CB 3.89Å; C106-C152 WeakPolarHBondContact CB-SG 3.34Å; C106-C152 WeakPolarHBondContact SG-CA 3.43Å; C106-C152 WeakPolarHBondContact SG-CB 3.34Å; C106-C152 CovalentContact SG-SG 2.03Å; C106-C152 PolarHBondContact SG-SG 2.89Å; C106-G155 WeakPolarHBondContact CA-O 3.48Å; C106-G155 VanDerWaalsContact SG-CA 3.57Å; C106-E156 PolarHBondContact SG-N 2.8Å; C106-E156 PolarHBondContact SG-O 3.38Å; C106-W157 HydrophobicContact CB-CD2 4.18Å; C106-W157 HydrophobicContact CB-CH2 4.21Å; C106-W157 HydrophobicContact CB-CZ2 3.6Å |
| 107 | S | 87.4 | Confident | 87.8 | Confident | 88 Ų | 88 | 62.5 Ų | 62.5 | 62% | 0.615 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 142.6 | 171.1 | -65.1 | 0 | 0 | 0 | 0 | 110.5 | W157 | S107-W157 PolarHBondContact O-NE1 3.3Š|
| 108 | P | 87.8 | Confident | 88.1 | Confident | 103 Ų | 103 | 66.4 Ų | 66.4 | 67% | 0.669 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -50.5 | 129.3 | 173.5 | -28.2 | 36.1 | 0 | 0 | 0 | 111.3 | ||
| 109 | P | 86.6 | Confident | 88.2 | Confident | 15 Ų | 15 | 66 Ų | 66 | 10% | 0.097 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 153.9 | -178.4 | 34.5 | -40.4 | 0 | 0 | 0 | 110.3 | Q111 Y117 I133 Y135 W157 | P109-Q111 PolarHBondContact O-N 2.88Å; P109-Y117 HydrophobicContact CG-CD1 3.95Å; P109-Y117 HydrophobicContact CG-CD2 4.19Å; P109-Y117 HydrophobicContact CG-CE1 3.6Å; P109-Y117 HydrophobicContact CG-CE2 3.85Å; P109-Y117 HydrophobicContact CG-CG 4.23Å; P109-I133 HydrophobicContact CB-CD1 3.8Å; P109-I133 HydrophobicContact CG-CD1 3.52Å; P109-Y135 WeakPolarHBondContact CB-OH 3.46Å; P109-W157 HydrophobicContact CG-CZ2 4.42Å |
| 110 | T | 86.6 | Confident | 88.2 | Confident | 99 Ų | 99 | 64.3 Ų | 64.3 | 61% | 0.607 | 33% | 0.33 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 124.5 | 173.4 | -50.3 | 0 | 0 | 0 | 0 | 110 | Y135 | T110-Y135 PolarHBondContact O-OH 2.03Š|
| 111 | Q | 88.6 | Confident | 88.1 | Confident | 121 Ų | 121 | 68.4 Ų | 68.4 | 57% | 0.565 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -77.6 | 131.8 | 175.1 | -167.3 | 171 | -14.4 | 0 | 0 | 110.1 | P109 G115 Y117 | P109-Q111 PolarHBondContact O-N 2.88Å; Q111-G115 PolarHBondContact NE2-O 2.92Å; Q111-Y117 HydrophobicContact CB-CE1 4.2Å; Q111-Y117 HydrophobicContact CG-CD1 4.4Å; Q111-Y117 HydrophobicContact CG-CE1 4.43Å |
| 112 | P | 90.9 | Very high | 88.1 | Confident | 11 Ų | 11 | 69.3 Ų | 69.3 | 7% | 0.071 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 142.9 | 174 | 28.9 | -35.1 | 0 | 0 | 0 | 110.5 | G115 Y135 | P112-G115 PolarHBondContact O-N 3.46Å; P112-Y135 HydrophobicContact CG-CD1 4.07Å; P112-Y135 HydrophobicContact CG-CE1 4.5Å |
| 113 | E | 91.8 | Very high | 88.2 | Confident | 169 Ų | 169 | 67.8 Ų | 67.8 | 79% | 0.79 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 143.2 | 163.6 | -63.2 | -176.1 | 162 | 0 | 0 | 109.5 | G115 C165 | E113-G115 VanDerWaalsContact C-N 3.31Å; E113-G115 PolarHBondContact O-N 3.42Å; E113-C165 WeakPolarHBondContact O-CB 3.27Å |
| 114 | N | 93.4 | Very high | 88.4 | Confident | 69 Ų | 69 | 69.4 Ų | 69.4 | 37% | 0.369 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 44.4 | -175 | -56.7 | 115.1 | 0 | 0 | 0 | 113.6 | D138 Y141 C165 | N114-D138 VanDerWaalsContact C-CG 3.42Å; N114-D138 WeakPolarHBondContact CA-OD2 3.48Å; N114-D138 PolarHBondContact O-N 3.11Å; N114-Y141 HydrophobicContact CB-CD1 3.43Å; N114-Y141 VanDerWaalsContact CB-CD1 3.43Å; N114-Y141 HydrophobicContact CB-CD2 3.9Å; N114-Y141 HydrophobicContact CB-CE1 3.36Å; N114-Y141 HydrophobicContact CB-CE2 3.85Å; N114-Y141 HydrophobicContact CB-CG 3.72Å; N114-Y141 PolarHBondContact ND2-OH 3.16Å; N114-Y141 WeakPolarHBondContact OD1-CE1 3.19Å; N114-Y141 PolarHBondContact OD1-OH 2.87Å; N114-C165 WeakPolarHBondContact O-CB 3.07Å |
| 115 | G | 93.5 | Very high | 88.4 | Confident | 8 Ų | 8 | 72.5 Ų | 72.5 | 8% | 0.082 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.6 | -162.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q111 P112 E113 F136 D138 | Q111-G115 PolarHBondContact NE2-O 2.92Å; P112-G115 PolarHBondContact O-N 3.46Å; E113-G115 VanDerWaalsContact C-N 3.31Å; E113-G115 PolarHBondContact O-N 3.42Å; G115-F136 VanDerWaalsContact CA-O 3.3Å; G115-F136 WeakPolarHBondContact CA-O 3.15Å; G115-D138 PolarHBondContact N-OD2 2.86Å |
| 116 | G | 92.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.6 | -166.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y135 F136 | G116-Y135 CarbonylContact O-C 3.46Å; G116-Y135 WeakPolarHBondContact O-CA 3.34Å; G116-F136 VanDerWaalsContact C-CD1 3.5Å; G116-F136 PolarHBondContact N-O 3.41Å; G116-F136 WeakPolarHBondContact O-CD1 3.08Å; G116-F136 PolarHBondContact O-N 2.87Å |
| 117 | Y | 92.6 | Very high | 88.2 | Confident | 56 Ų | 56 | 77.7 Ų | 77.7 | 22% | 0.22 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 156.5 | 170.1 | 60.3 | -92.4 | 0 | 0 | 0 | 111.8 | P109 Q111 I133 E134 Y135 | P109-Y117 HydrophobicContact CG-CD1 3.95Å; P109-Y117 HydrophobicContact CG-CD2 4.19Å; P109-Y117 HydrophobicContact CG-CE1 3.6Å; P109-Y117 HydrophobicContact CG-CE2 3.85Å; P109-Y117 HydrophobicContact CG-CG 4.23Å; Q111-Y117 HydrophobicContact CB-CE1 4.2Å; Q111-Y117 HydrophobicContact CG-CD1 4.4Å; Q111-Y117 HydrophobicContact CG-CE1 4.43Å; Y117-I133 HydrophobicContact CD2-CB 4.45Å; Y117-I133 HydrophobicContact CD2-CG2 4.32Å; Y117-E134 CarbonylContact C-O 3.56Å; Y117-E134 WeakPolarHBondContact CA-O 3.29Å; Y117-Y135 HydrophobicContact CD1-CE1 4.2Å |
| 118 | R | 92.9 | Very high | 88.1 | Confident | 118 Ų | 118 | 76.3 Ų | 76.3 | 45% | 0.445 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 133.4 | 178.5 | -62.1 | 169.3 | 65.8 | -118.6 | 1.1 | 108.3 | I133 E134 F136 | R118-I133 CarbonylContact O-C 3.6Å; R118-I133 VanDerWaalsContact O-CA 3.29Å; R118-I133 WeakPolarHBondContact O-CA 3.18Å; R118-E134 PolarHBondContact N-O 2.89Å; R118-E134 IonicContact NH1-OE2 2.89Å; R118-E134 PolarHBondContact NH1-OE2 3.41Å; R118-E134 PolarHBondContact O-N 2.74Å; R118-F136 HydrophobicContact CG-CD1 3.91Å; R118-F136 HydrophobicContact CG-CE1 3.84Å |
| 119 | C | 92.4 | Very high | 88 | Confident | 1 Ų | 1 | 74.8 Ų | 74.8 | 1% | 0.007 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 147.8 | 180 | -48.8 | 0 | 0 | 0 | 0 | 112.1 | P121 T122 C124 L127 T131 V132 I133 | C119-P121 CarbonylContact C-O 3.52Å; C119-P121 CarbonylContact O-C 3.59Å; C119-P121 VanDerWaalsContact O-C 3.25Å; C119-T122 WeakPolarHBondContact O-CG2 3.15Å; C119-T122 PolarHBondContact O-N 2.76Å; C119-C124 HydrophobicContact CB-CB 3.96Å; C119-C124 WeakPolarHBondContact CB-SG 3.13Å; C119-C124 PolarHBondContact N-SG 2.94Å; C119-C124 VanDerWaalsContact N-SG 3.43Å; C119-C124 VanDerWaalsContact SG-CA 3.6Å; C119-C124 WeakPolarHBondContact SG-CB 3.43Å; C119-C124 CovalentContact SG-SG 2.03Å; C119-C124 PolarHBondContact SG-SG 2.8Å; C119-L127 HydrophobicContact CB-CD2 4.46Å; C119-T131 HydrophobicContact CB-CG2 4.42Å; C119-V132 CarbonylContact C-O 3.59Å; C119-I133 HydrophobicContact CB-CG2 4.31Å |
| 120 | H | 90 | Very high | 87.9 | Confident | 76 Ų | 76 | 79 Ų | 79 | 35% | 0.352 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 109.1 | 174.4 | -64.7 | -80.6 | 0 | 0 | 0 | 107.6 | V132 | H120-V132 HydrophobicContact CB-CB 4.36Å; H120-V132 PolarHBondContact N-O 2.78Å; H120-V132 PolarHBondContact O-N 3.49Å |
| 121 | P | 85.3 | Confident | 88 | Confident | 101 Ų | 101 | 74.5 Ų | 74.5 | 66% | 0.656 | 37% | 0.372 | S | S | * | . | S | Bend | cis | -70.1 | 155.2 | 2 | 30.6 | -36 | 0 | 0 | 0 | 114.1 | C119 | C119-P121 CarbonylContact C-O 3.52Å; C119-P121 CarbonylContact O-C 3.59Å; C119-P121 VanDerWaalsContact O-C 3.25Å |
| 122 | T | 85.4 | Confident | 88.2 | Confident | 103 Ų | 103 | 70.9 Ų | 70.9 | 63% | 0.632 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -85 | 151.2 | 165.7 | 44.8 | 0 | 0 | 0 | 0 | 110.5 | C119 | C119-T122 WeakPolarHBondContact O-CG2 3.15Å; C119-T122 PolarHBondContact O-N 2.76Å |
| 123 | P | 84.4 | Confident | 88.3 | Confident | 85 Ų | 85 | 70.4 Ų | 70.4 | 55% | 0.552 | 36% | 0.355 | S | S | * | . | S | Bend | cis | -82.6 | 166.5 | -8.5 | 35.2 | -37.2 | 0 | 0 | 0 | 113.3 | H125 | P123-H125 VanDerWaalsContact CG-CD2 3.46Å; P123-H125 WeakPolarHBondContact CG-CD2 3Å; P123-H125 WeakPolarHBondContact CG-NE2 2.99Å; P123-H125 PolarHBondContact O-N 2.71Å |
| 124 | C | 82.7 | Confident | 88.3 | Confident | 59 Ų | 59 | 63.9 Ų | 63.9 | 40% | 0.399 | 33% | 0.325 | S | S | . | . | trans | -68.2 | 43.3 | -179.1 | -62.3 | 0 | 0 | 0 | 0 | 115.5 | C119 | C119-C124 HydrophobicContact CB-CB 3.96Å; C119-C124 WeakPolarHBondContact CB-SG 3.13Å; C119-C124 PolarHBondContact N-SG 2.94Å; C119-C124 VanDerWaalsContact N-SG 3.43Å; C119-C124 VanDerWaalsContact SG-CA 3.6Å; C119-C124 WeakPolarHBondContact SG-CB 3.43Å; C119-C124 CovalentContact SG-SG 2.03Å; C119-C124 PolarHBondContact SG-SG 2.8Å | ||
| 125 | H | 79.7 | Confident | 88.3 | Confident | 162 Ų | 162 | 61.2 Ų | 61.2 | 75% | 0.75 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -77 | -33.1 | -176.6 | -71.3 | -26.9 | 0 | 0 | 0 | 114.4 | P123 | P123-H125 VanDerWaalsContact CG-CD2 3.46Å; P123-H125 WeakPolarHBondContact CG-CD2 3Å; P123-H125 WeakPolarHBondContact CG-NE2 2.99Å; P123-H125 PolarHBondContact O-N 2.71Å |
| 126 | R | 79.9 | Confident | 88.3 | Confident | 177 Ų | 177 | 64.8 Ų | 64.8 | 67% | 0.668 | 32% | 0.323 | S | S | * | . | trans | -146.4 | 120.3 | 178.3 | -61.8 | -176.5 | -178.9 | 174.1 | 0.5 | 109.2 | I128 | R126-I128 VanDerWaalsContact C-N 3.32Å; R126-I128 HydrophobicContact CB-CG2 3.77Å; R126-I128 PolarHBondContact O-N 2.88Å; R126-I128 VanDerWaalsContact O-N 3.16Å | ||
| 127 | L | 86.9 | Confident | 88.4 | Confident | 11 Ų | 11 | 66.1 Ų | 66.1 | 6% | 0.058 | 33% | 0.332 | C | S | . | . | trans | -89.8 | 73.8 | 179.2 | -52.9 | 180 | 0 | 0 | 0 | 108.7 | V105 C106 C119 T131 C152 W157 | V105-L127 CarbonylContact C-O 3.36Å; V105-L127 WeakPolarHBondContact CA-O 3.44Å; C106-L127 HydrophobicContact CB-CB 4.44Å; C106-L127 PolarHBondContact N-O 2.82Å; C119-L127 HydrophobicContact CB-CD2 4.46Å; L127-T131 HydrophobicContact CD2-CG2 4.03Å; L127-C152 PolarHBondContact O-SG 3.46Å; L127-W157 HydrophobicContact CB-CH2 4.22Å; L127-W157 HydrophobicContact CB-CZ2 4.24Å; L127-W157 HydrophobicContact CD1-CH2 4.14Å; L127-W157 HydrophobicContact CD1-CZ2 3.75Å | ||
| 128 | I | 86.1 | Confident | 88.5 | Confident | 59 Ų | 59 | 66.8 Ų | 66.8 | 30% | 0.303 | 34% | 0.34 | S | S | . | . | B | Isolated β-bridge | trans | -83.8 | 165.5 | -176.5 | 67.2 | 175.1 | 0 | 0 | 0 | 111.2 | N103 Y104 R126 N130 T131 C152 | N103-I128 WeakPolarHBondContact OD1-CG2 3.2Å; Y104-I128 CarbonylContact O-C 3.55Å; Y104-I128 WeakPolarHBondContact O-CA 3.41Å; R126-I128 VanDerWaalsContact C-N 3.32Å; R126-I128 HydrophobicContact CB-CG2 3.77Å; R126-I128 PolarHBondContact O-N 2.88Å; R126-I128 VanDerWaalsContact O-N 3.16Å; I128-N130 PolarHBondContact O-N 2.88Å; I128-T131 PolarHBondContact N-OG1 3.3Å; I128-T131 WeakPolarHBondContact O-CB 3.46Å; I128-T131 PolarHBondContact O-N 3.3Å; I128-T131 PolarHBondContact O-OG1 3.48Å; I128-C152 VanDerWaalsContact C-SG 3.59Å; I128-C152 WeakPolarHBondContact O-CB 3.31Å; I128-C152 PolarHBondContact O-SG 3.42Å |
| 129 | H | 84.8 | Confident | 88.5 | Confident | 71 Ų | 71 | 70.5 Ų | 70.5 | 33% | 0.329 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -43.6 | 134.8 | 171.2 | -178.8 | 105.9 | 0 | 0 | 0 | 112.1 | Y104 T131 C152 N154 | Y104-H129 PolarHBondContact O-N 2.77Å; H129-T131 VanDerWaalsContact C-N 3.26Å; H129-T131 PolarHBondContact O-N 3.43Å; H129-C152 CarbonylContact C-O 3.58Å; H129-C152 WeakPolarHBondContact CA-O 3.18Å; H129-N154 PolarHBondContact CE1-OD1 2.79Å; H129-N154 PolarHBondContact ND1-N 2.03Å; H129-N154 PolarHBondContact ND1-OD1 3.46Å |
| 130 | N | 85.9 | Confident | 88.4 | Confident | 103 Ų | 103 | 72.7 Ų | 72.7 | 55% | 0.551 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | 9.3 | -170.9 | -62 | -28.5 | 0 | 0 | 0 | 116.6 | I128 V132 C152 | I128-N130 PolarHBondContact O-N 2.88Å; N130-V132 PolarHBondContact O-N 3.23Å; N130-C152 PolarHBondContact N-O 2.03Å |
| 131 | T | 88.9 | Confident | 88.5 | Confident | 4 Ų | 4 | 72.4 Ų | 72.4 | 3% | 0.025 | 38% | 0.381 | C | S | . | . | trans | -67.5 | 127.1 | 164 | -55.3 | 0 | 0 | 0 | 0 | 109 | C119 L127 I128 H129 C152 | C119-T131 HydrophobicContact CB-CG2 4.42Å; L127-T131 HydrophobicContact CD2-CG2 4.03Å; I128-T131 PolarHBondContact N-OG1 3.3Å; I128-T131 WeakPolarHBondContact O-CB 3.46Å; I128-T131 PolarHBondContact O-N 3.3Å; I128-T131 PolarHBondContact O-OG1 3.48Å; H129-T131 VanDerWaalsContact C-N 3.26Å; H129-T131 PolarHBondContact O-N 3.43Å; T131-C152 PolarHBondContact O-N 3.13Å | ||
| 132 | V | 92 | Very high | 88.7 | Confident | 46 Ų | 46 | 71 Ų | 71 | 28% | 0.279 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 137.1 | 172.2 | 178.9 | 0 | 0 | 0 | 0 | 108.6 | C119 H120 N130 Y149 L150 T151 | C119-V132 CarbonylContact C-O 3.59Å; H120-V132 HydrophobicContact CB-CB 4.36Å; H120-V132 PolarHBondContact N-O 2.78Å; H120-V132 PolarHBondContact O-N 3.49Å; N130-V132 PolarHBondContact O-N 3.23Å; V132-Y149 HydrophobicContact CG1-CD1 4.18Å; V132-L150 CarbonylContact C-O 3.59Å; V132-L150 WeakPolarHBondContact CA-O 3.22Å; V132-T151 HydrophobicContact CG2-CG2 4.16Å |
| 133 | I | 92.8 | Very high | 89 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 144.9 | 168.4 | 63.3 | 174.9 | 0 | 0 | 0 | 110.2 | P109 Y117 R118 C119 Y135 Y149 L150 W157 | P109-I133 HydrophobicContact CB-CD1 3.8Å; P109-I133 HydrophobicContact CG-CD1 3.52Å; Y117-I133 HydrophobicContact CD2-CB 4.45Å; Y117-I133 HydrophobicContact CD2-CG2 4.32Å; R118-I133 CarbonylContact O-C 3.6Å; R118-I133 VanDerWaalsContact O-CA 3.29Å; R118-I133 WeakPolarHBondContact O-CA 3.18Å; C119-I133 HydrophobicContact CB-CG2 4.31Å; I133-Y135 HydrophobicContact CD1-CE2 3.88Å; I133-Y135 HydrophobicContact CG1-CE2 4.43Å; I133-Y149 WeakPolarHBondContact O-CA 3.46Å; I133-L150 HydrophobicContact CD1-CB 3.97Å; I133-L150 HydrophobicContact CD1-CD1 4.17Å; I133-L150 HydrophobicContact CD1-CG 4.4Å; I133-L150 HydrophobicContact CG1-CB 3.76Å; I133-L150 PolarHBondContact N-O 3.04Å; I133-L150 PolarHBondContact O-N 3.04Å; I133-L150 VanDerWaalsContact O-N 3.11Å; I133-W157 HydrophobicContact CD1-CE3 4.45Å; I133-W157 HydrophobicContact CD1-CH2 4.03Å; I133-W157 HydrophobicContact CD1-CZ2 4.38Å; I133-W157 HydrophobicContact CD1-CZ3 4.06Å; I133-W157 HydrophobicContact CG1-CH2 4.29Å; I133-W157 HydrophobicContact CG1-CZ3 4.01Å; I133-W157 HydrophobicContact CG2-CH2 3.85Å; I133-W157 HydrophobicContact CG2-CZ3 4.2Å |
| 134 | E | 92.8 | Very high | 89.2 | Confident | 32 Ų | 32 | 70.6 Ų | 70.6 | 15% | 0.15 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 118.7 | 172.5 | 178.4 | 174.4 | -126.6 | 0 | 0 | 109 | Y117 R118 K148 Y149 | Y117-E134 CarbonylContact C-O 3.56Å; Y117-E134 WeakPolarHBondContact CA-O 3.29Å; R118-E134 PolarHBondContact N-O 2.89Å; R118-E134 IonicContact NH1-OE2 2.89Å; R118-E134 PolarHBondContact NH1-OE2 3.41Å; R118-E134 PolarHBondContact O-N 2.74Å; E134-K148 HydrophobicContact CG-CD 4.47Å; E134-K148 IonicContact OE1-NZ 2.71Å; E134-K148 PolarHBondContact OE1-NZ 2.87Å; E134-Y149 HydrophobicContact CB-CD1 3.75Å; E134-Y149 HydrophobicContact CB-CE1 3.58Å; E134-Y149 HydrophobicContact CG-CD1 4.03Å; E134-Y149 HydrophobicContact CG-CE1 3.5Å; E134-Y149 VanDerWaalsContact CG-CE1 3.5Å; E134-Y149 WeakPolarHBondContact OE1-CE1 3.27Å; E134-Y149 PolarHBondContact OE1-OH 2.86Å |
| 135 | Y | 93.1 | Very high | 89.2 | Confident | 14 Ų | 14 | 69.4 Ų | 69.4 | 6% | 0.055 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 150.1 | 171.2 | -72.3 | -89.9 | 0 | 0 | 0 | 111.8 | P109 T110 P112 G116 Y117 I133 M143 K148 L150 I163 | P109-Y135 WeakPolarHBondContact CB-OH 3.46Å; T110-Y135 PolarHBondContact O-OH 2.03Å; P112-Y135 HydrophobicContact CG-CD1 4.07Å; P112-Y135 HydrophobicContact CG-CE1 4.5Å; G116-Y135 CarbonylContact O-C 3.46Å; G116-Y135 WeakPolarHBondContact O-CA 3.34Å; Y117-Y135 HydrophobicContact CD1-CE1 4.2Å; I133-Y135 HydrophobicContact CD1-CE2 3.88Å; I133-Y135 HydrophobicContact CG1-CE2 4.43Å; Y135-M143 WeakPolarHBondContact O-CE 3.41Å; Y135-K148 PolarHBondContact N-O 3.39Å; Y135-L150 HydrophobicContact CE2-CD1 3.77Å; Y135-L150 HydrophobicContact CE2-CG 3.99Å; Y135-I163 HydrophobicContact CD1-CB 4.48Å; Y135-I163 HydrophobicContact CD2-CD1 3.41Å; Y135-I163 VanDerWaalsContact CD2-CD1 3.41Å; Y135-I163 HydrophobicContact CD2-CG1 4.17Å; Y135-I163 HydrophobicContact CE2-CD1 3.85Å; Y135-I163 HydrophobicContact CE2-CG1 4.19Å; Y135-I163 HydrophobicContact CG-CB 4.45Å; Y135-I163 HydrophobicContact CG-CD1 3.8Å; Y135-I163 HydrophobicContact CG-CG1 4.47Å; Y135-I163 HydrophobicContact CG-CG2 4.45Å |
| 136 | F | 92.9 | Very high | 89.1 | Confident | 82 Ų | 82 | 68.5 Ų | 68.5 | 36% | 0.36 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 158.5 | 171.5 | 66 | -90.3 | 0 | 0 | 0 | 110 | G115 G116 R118 | G115-F136 VanDerWaalsContact CA-O 3.3Å; G115-F136 WeakPolarHBondContact CA-O 3.15Å; G116-F136 VanDerWaalsContact C-CD1 3.5Å; G116-F136 PolarHBondContact N-O 3.41Å; G116-F136 WeakPolarHBondContact O-CD1 3.08Å; G116-F136 PolarHBondContact O-N 2.87Å; R118-F136 HydrophobicContact CG-CD1 3.91Å; R118-F136 HydrophobicContact CG-CE1 3.84Å |
| 137 | C | 94.6 | Very high | 89.4 | Confident | 28 Ų | 28 | 66.5 Ų | 66.5 | 19% | 0.189 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 154.3 | 170.5 | -62.6 | 0 | 0 | 0 | 0 | 109.6 | M143 C165 | C137-M143 VanDerWaalsContact SG-CA 3.55Å; C137-C165 WeakPolarHBondContact CA-SG 3.42Å; C137-C165 HydrophobicContact CB-CB 3.69Å; C137-C165 WeakPolarHBondContact CB-SG 3.38Å; C137-C165 VanDerWaalsContact SG-CA 3.57Å; C137-C165 WeakPolarHBondContact SG-CB 3.42Å; C137-C165 CovalentContact SG-SG 2.03Å; C137-C165 PolarHBondContact SG-SG 3.1Å |
| 138 | D | 94.9 | Very high | 89.5 | Confident | 71 Ų | 71 | 69.9 Ų | 69.9 | 38% | 0.38 | 36% | 0.359 | S | S | . | . | trans | -70.4 | 165.7 | 177.3 | -62.7 | -26.4 | 0 | 0 | 0 | 111.3 | N114 G115 G140 Y141 | N114-D138 VanDerWaalsContact C-CG 3.42Å; N114-D138 WeakPolarHBondContact CA-OD2 3.48Å; N114-D138 PolarHBondContact O-N 3.11Å; G115-D138 PolarHBondContact N-OD2 2.86Å; D138-G140 PolarHBondContact O-N 2.68Å; D138-Y141 HydrophobicContact CB-CD2 4.45Å; D138-Y141 WeakPolarHBondContact O-CB 3.1Å; D138-Y141 PolarHBondContact O-N 2.71Å | ||
| 139 | E | 93 | Very high | 89.8 | Confident | 196 Ų | 196 | 70.3 Ų | 70.3 | 92% | 0.916 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 134.6 | 179.4 | -64 | -171.8 | 165.3 | 0 | 0 | 111.6 | Y141 | E139-Y141 VanDerWaalsContact C-N 3.31Š|
| 140 | G | 89.6 | Confident | 90.1 | Very high | 46 Ų | 46 | 67.4 Ų | 67.4 | 47% | 0.474 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | 4.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | D138 T168 | D138-G140 PolarHBondContact O-N 2.68Å; G140-T168 WeakPolarHBondContact O-CB 3.06Å; G140-T168 PolarHBondContact O-N 3.28Å; G140-T168 PolarHBondContact O-OG1 3.02Å; G140-T168 VanDerWaalsContact O-OG1 3.09Å |
| 141 | Y | 92.8 | Very high | 90.3 | Very high | 70 Ų | 70 | 64.1 Ų | 64.1 | 28% | 0.275 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 141.8 | 173.9 | -68.2 | -107.1 | 0 | 0 | 0 | 112.3 | N114 D138 E139 C165 R166 L167 | N114-Y141 HydrophobicContact CB-CD1 3.43Å; N114-Y141 VanDerWaalsContact CB-CD1 3.43Å; N114-Y141 HydrophobicContact CB-CD2 3.9Å; N114-Y141 HydrophobicContact CB-CE1 3.36Å; N114-Y141 HydrophobicContact CB-CE2 3.85Å; N114-Y141 HydrophobicContact CB-CG 3.72Å; N114-Y141 PolarHBondContact ND2-OH 3.16Å; N114-Y141 WeakPolarHBondContact OD1-CE1 3.19Å; N114-Y141 PolarHBondContact OD1-OH 2.87Å; D138-Y141 HydrophobicContact CB-CD2 4.45Å; D138-Y141 WeakPolarHBondContact O-CB 3.1Å; D138-Y141 PolarHBondContact O-N 2.71Å; E139-Y141 VanDerWaalsContact C-N 3.31Å; Y141-C165 HydrophobicContact CD1-CB 4.38Å; Y141-R166 CarbonylContact C-O 3.5Å; Y141-R166 VanDerWaalsContact CA-O 3.29Å; Y141-R166 WeakPolarHBondContact CA-O 3.48Å; Y141-R166 VanDerWaalsContact CD1-C 3.43Å; Y141-L167 HydrophobicContact CD1-CB 4.46Å; Y141-L167 VanDerWaalsContact CD1-N 3.3Å; Y141-L167 HydrophobicContact CE1-CB 4.22Å; Y141-L167 HydrophobicContact CE1-CD1 4.39Å; Y141-L167 HydrophobicContact CE2-CD1 4.07Å |
| 142 | T | 90.3 | Very high | 90.4 | Very high | 71 Ų | 71 | 63.9 Ų | 63.9 | 44% | 0.436 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 139.6 | 174.6 | 35 | 0 | 0 | 0 | 0 | 110.8 | K144 R166 T168 | T142-K144 PolarHBondContact O-N 3.4Å; T142-R166 PolarHBondContact N-O 3.06Å; T142-R166 PolarHBondContact O-N 3.22Å; T142-R166 PolarHBondContact OG1-O 2.92Å; T142-T168 HydrophobicContact CG2-CG2 4.06Å; T142-T168 WeakPolarHBondContact CG2-OG1 3.12Å; T142-T168 PolarHBondContact N-OG1 2.88Å |
| 143 | M | 90.4 | Very high | 90.2 | Very high | 59 Ų | 59 | 65.4 Ų | 65.4 | 29% | 0.291 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 128.2 | 177 | -171 | 179.3 | -67.3 | 0 | 0 | 110.9 | Y135 C137 K148 I163 | Y135-M143 WeakPolarHBondContact O-CE 3.41Å; C137-M143 VanDerWaalsContact SG-CA 3.55Å; M143-K148 HydrophobicContact CE-CB 3.82Å; M143-K148 HydrophobicContact SD-CB 3.43Å; M143-K148 WeakPolarHBondContact SD-CB 3.34Å; M143-I163 HydrophobicContact CE-CG2 4.15Å; M143-I163 HydrophobicContact CG-CG2 3.49Å; M143-I163 VanDerWaalsContact CG-CG2 3.49Å; M143-I163 HydrophobicContact SD-CD1 3.92Å; M143-I163 HydrophobicContact SD-CG2 3.74Å |
| 144 | K | 88.8 | Confident | 89.9 | Confident | 121 Ų | 121 | 70.1 Ų | 70.1 | 53% | 0.526 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 103.3 | 165.1 | -172.4 | -177 | 177 | -172.2 | 0 | 109.1 | T142 S164 R166 | T142-K144 PolarHBondContact O-N 3.4Å; K144-S164 WeakPolarHBondContact CB-O 3.26Å; K144-S164 PolarHBondContact N-O 3.03Å; K144-S164 PolarHBondContact O-N 3.06Å; K144-R166 HydrophobicContact CB-CG 4.49Å |
| 145 | G | 82.4 | Confident | 89.5 | Confident | 35 Ų | 35 | 69.7 Ų | 69.7 | 36% | 0.361 | 36% | 0.362 | S | S | . | . | S | Bend | trans | 176.4 | 149 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y147 | G145-Y147 VanDerWaalsContact C-N 3.26Å; G145-Y147 PolarHBondContact O-N 2.82Å |
| 146 | D | 79.2 | Confident | 89.3 | Confident | 143 Ų | 143 | 76.3 Ų | 76.3 | 77% | 0.765 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -75.6 | -19.7 | -177.3 | -60.9 | -32.3 | 0 | 0 | 0 | 112.3 | M161 | D146-M161 HydrophobicContact CB-CE 4.32Å; D146-M161 HydrophobicContact CB-SD 4.04Å; D146-M161 WeakPolarHBondContact OD2-CE 3.41Å |
| 147 | Y | 84.8 | Confident | 89.2 | Confident | 135 Ų | 135 | 75 Ų | 75 | 53% | 0.529 | 39% | 0.386 | S | S | . | . | trans | -145.3 | 140.1 | -180 | -157 | -122.1 | 0 | 0 | 0 | 110.7 | G145 Y149 I163 | G145-Y147 VanDerWaalsContact C-N 3.26Å; G145-Y147 PolarHBondContact O-N 2.82Å; Y147-Y149 WeakPolarHBondContact CD1-O 2.98Å; Y147-Y149 HydrophobicContact CE1-CD2 4.15Å; Y147-Y149 HydrophobicContact CE1-CG 4.44Å; Y147-Y149 HydrophobicContact CE2-CD2 4.31Å; Y147-Y149 AromaticContact CZ-CD2 3.89Å; Y147-I163 WeakPolarHBondContact O-CD1 3.45Å | ||
| 148 | K | 89.6 | Confident | 88.9 | Confident | 82 Ų | 82 | 76.9 Ų | 76.9 | 36% | 0.357 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -102.4 | -0.4 | -174.3 | 67.4 | 162.1 | 173 | 149.8 | 0 | 115.2 | E134 Y135 M143 | E134-K148 HydrophobicContact CG-CD 4.47Å; E134-K148 IonicContact OE1-NZ 2.71Å; E134-K148 PolarHBondContact OE1-NZ 2.87Å; Y135-K148 PolarHBondContact N-O 3.39Å; M143-K148 HydrophobicContact CE-CB 3.82Å; M143-K148 HydrophobicContact SD-CB 3.43Å; M143-K148 WeakPolarHBondContact SD-CB 3.34Å |
| 149 | Y | 91.6 | Very high | 88.2 | Confident | 68 Ų | 68 | 75.7 Ų | 75.7 | 27% | 0.267 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 148 | 178.7 | -56.3 | -80.7 | 0 | 0 | 0 | 110.2 | V132 I133 E134 Y147 | V132-Y149 HydrophobicContact CG1-CD1 4.18Å; I133-Y149 WeakPolarHBondContact O-CA 3.46Å; E134-Y149 HydrophobicContact CB-CD1 3.75Å; E134-Y149 HydrophobicContact CB-CE1 3.58Å; E134-Y149 HydrophobicContact CG-CD1 4.03Å; E134-Y149 HydrophobicContact CG-CE1 3.5Å; E134-Y149 VanDerWaalsContact CG-CE1 3.5Å; E134-Y149 WeakPolarHBondContact OE1-CE1 3.27Å; E134-Y149 PolarHBondContact OE1-OH 2.86Å; Y147-Y149 WeakPolarHBondContact CD1-O 2.98Å; Y147-Y149 HydrophobicContact CE1-CD2 4.15Å; Y147-Y149 HydrophobicContact CE1-CG 4.44Å; Y147-Y149 HydrophobicContact CE2-CD2 4.31Å; Y147-Y149 AromaticContact CZ-CD2 3.89Å |
| 150 | L | 90.9 | Very high | 87.2 | Confident | 10 Ų | 10 | 72.8 Ų | 72.8 | 5% | 0.052 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 141.7 | 162.6 | -60.8 | 176.4 | 0 | 0 | 0 | 109.3 | V132 I133 Y135 W157 D158 N159 | V132-L150 CarbonylContact C-O 3.59Å; V132-L150 WeakPolarHBondContact CA-O 3.22Å; I133-L150 HydrophobicContact CD1-CB 3.97Å; I133-L150 HydrophobicContact CD1-CD1 4.17Å; I133-L150 HydrophobicContact CD1-CG 4.4Å; I133-L150 HydrophobicContact CG1-CB 3.76Å; I133-L150 PolarHBondContact N-O 3.04Å; I133-L150 PolarHBondContact O-N 3.04Å; I133-L150 VanDerWaalsContact O-N 3.11Å; Y135-L150 HydrophobicContact CE2-CD1 3.77Å; Y135-L150 HydrophobicContact CE2-CG 3.99Å; L150-W157 HydrophobicContact CB-CD2 4.19Å; L150-W157 HydrophobicContact CB-CE3 3.55Å; L150-W157 HydrophobicContact CB-CZ3 4.16Å; L150-W157 HydrophobicContact CD1-CB 4.27Å; L150-W157 HydrophobicContact CD1-CD2 4.42Å; L150-W157 HydrophobicContact CD1-CG 4.28Å; L150-D158 VanDerWaalsContact CA-OD1 3.31Å; L150-D158 WeakPolarHBondContact CA-OD1 3.32Å; L150-N159 HydrophobicContact CD2-CB 3.65Å; L150-N159 WeakPolarHBondContact CD2-O 3.41Å |
| 151 | T | 91.5 | Very high | 86.1 | Confident | 33 Ų | 33 | 74.5 Ų | 74.5 | 20% | 0.202 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 128.9 | 176.7 | -41.1 | 0 | 0 | 0 | 0 | 109.1 | V132 L153 D158 | V132-T151 HydrophobicContact CG2-CG2 4.16Å; T151-L153 HydrophobicContact CG2-CD2 3.92Å; T151-L153 HydrophobicContact CG2-CG 4.28Å; T151-L153 PolarHBondContact O-N 3.09Å; T151-D158 WeakPolarHBondContact CB-OD2 3.42Å; T151-D158 PolarHBondContact N-OD1 3.32Å; T151-D158 PolarHBondContact N-OD2 3.23Å; T151-D158 VanDerWaalsContact N-OD2 3.09Å; T151-D158 PolarHBondContact O-N 2.99Å; T151-D158 PolarHBondContact OG1-OD2 3.37Å |
| 152 | C | 90.3 | Very high | 85.3 | Confident | 0 Ų | 0 | 78.8 Ų | 78.8 | 0% | 0 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 107.6 | 173.1 | 179.8 | 0 | 0 | 0 | 0 | 110 | C106 L127 I128 H129 N130 T131 W157 | C106-C152 HydrophobicContact CB-CB 3.89Å; C106-C152 WeakPolarHBondContact CB-SG 3.34Å; C106-C152 WeakPolarHBondContact SG-CA 3.43Å; C106-C152 WeakPolarHBondContact SG-CB 3.34Å; C106-C152 CovalentContact SG-SG 2.03Å; C106-C152 PolarHBondContact SG-SG 2.89Å; L127-C152 PolarHBondContact O-SG 3.46Å; I128-C152 VanDerWaalsContact C-SG 3.59Å; I128-C152 WeakPolarHBondContact O-CB 3.31Å; I128-C152 PolarHBondContact O-SG 3.42Å; H129-C152 CarbonylContact C-O 3.58Å; H129-C152 WeakPolarHBondContact CA-O 3.18Å; N130-C152 PolarHBondContact N-O 2.03Å; T131-C152 PolarHBondContact O-N 3.13Å; C152-W157 HydrophobicContact CB-CE3 4.19Å; C152-W157 HydrophobicContact CB-CH2 4.12Å; C152-W157 HydrophobicContact CB-CZ3 3.78Å |
| 153 | L | 88.7 | Confident | 85.1 | Confident | 77 Ų | 77 | 76 Ų | 76 | 40% | 0.403 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 110 | 179.6 | -63.8 | -178.1 | 0 | 0 | 0 | 109.4 | T151 G155 E156 D158 | T151-L153 HydrophobicContact CG2-CD2 3.92Å; T151-L153 HydrophobicContact CG2-CG 4.28Å; T151-L153 PolarHBondContact O-N 3.09Å; L153-G155 PolarHBondContact O-N 2.86Å; L153-E156 CarbonylContact C-O 3.25Å; L153-E156 PolarHBondContact N-O 2.82Å; L153-E156 PolarHBondContact O-N 3.4Å; L153-E156 VanDerWaalsContact O-O 3.08Å; L153-D158 HydrophobicContact CD1-CB 3.76Å; L153-D158 HydrophobicContact CG-CB 4.26Å |
| 154 | N | 85.3 | Confident | 85.1 | Confident | 100 Ų | 100 | 75.5 Ų | 75.5 | 54% | 0.535 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 25.3 | 176.2 | -59.4 | -29.3 | 0 | 0 | 0 | 115.2 | Y104 H129 | Y104-N154 HydrophobicContact CD1-CB 4.32Å; Y104-N154 WeakPolarHBondContact CD1-O 3.01Å; Y104-N154 HydrophobicContact CG-CB 4.47Å; H129-N154 PolarHBondContact CE1-OD1 2.79Å; H129-N154 PolarHBondContact ND1-N 2.03Å; H129-N154 PolarHBondContact ND1-OD1 3.46Å |
| 155 | G | 84.8 | Confident | 85.3 | Confident | 22 Ų | 22 | 70.2 Ų | 70.2 | 23% | 0.227 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 98.6 | -1.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | C106 L153 | C106-G155 WeakPolarHBondContact CA-O 3.48Å; C106-G155 VanDerWaalsContact SG-CA 3.57Å; L153-G155 PolarHBondContact O-N 2.86Å |
| 156 | E | 89 | Confident | 85.8 | Confident | 154 Ų | 154 | 75.3 Ų | 75.3 | 72% | 0.72 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 154.3 | 172.2 | -63 | -177.2 | 158.6 | 0 | 0 | 110 | C106 L153 | C106-E156 PolarHBondContact SG-N 2.8Å; C106-E156 PolarHBondContact SG-O 3.38Å; L153-E156 CarbonylContact C-O 3.25Å; L153-E156 PolarHBondContact N-O 2.82Å; L153-E156 PolarHBondContact O-N 3.4Å; L153-E156 VanDerWaalsContact O-O 3.08Å |
| 157 | W | 90.1 | Very high | 86.4 | Confident | 53 Ų | 53 | 74 Ų | 74 | 20% | 0.201 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 137.5 | 172.8 | -65.4 | 107.4 | 0 | 0 | 0 | 109.8 | C106 S107 P109 L127 I133 L150 C152 N159 | C106-W157 HydrophobicContact CB-CD2 4.18Å; C106-W157 HydrophobicContact CB-CH2 4.21Å; C106-W157 HydrophobicContact CB-CZ2 3.6Å; S107-W157 PolarHBondContact O-NE1 3.3Å; P109-W157 HydrophobicContact CG-CZ2 4.42Å; L127-W157 HydrophobicContact CB-CH2 4.22Å; L127-W157 HydrophobicContact CB-CZ2 4.24Å; L127-W157 HydrophobicContact CD1-CH2 4.14Å; L127-W157 HydrophobicContact CD1-CZ2 3.75Å; I133-W157 HydrophobicContact CD1-CE3 4.45Å; I133-W157 HydrophobicContact CD1-CH2 4.03Å; I133-W157 HydrophobicContact CD1-CZ2 4.38Å; I133-W157 HydrophobicContact CD1-CZ3 4.06Å; I133-W157 HydrophobicContact CG1-CH2 4.29Å; I133-W157 HydrophobicContact CG1-CZ3 4.01Å; I133-W157 HydrophobicContact CG2-CH2 3.85Å; I133-W157 HydrophobicContact CG2-CZ3 4.2Å; L150-W157 HydrophobicContact CB-CD2 4.19Å; L150-W157 HydrophobicContact CB-CE3 3.55Å; L150-W157 HydrophobicContact CB-CZ3 4.16Å; L150-W157 HydrophobicContact CD1-CB 4.27Å; L150-W157 HydrophobicContact CD1-CD2 4.42Å; L150-W157 HydrophobicContact CD1-CG 4.28Å; C152-W157 HydrophobicContact CB-CE3 4.19Å; C152-W157 HydrophobicContact CB-CH2 4.12Å; C152-W157 HydrophobicContact CB-CZ3 3.78Å; W157-N159 PolarHBondContact O-N 3.49Å; W157-N159 VanDerWaalsContact O-N 3.13Å |
| 158 | D | 88.9 | Confident | 86.2 | Confident | 69 Ų | 69 | 70 Ų | 70 | 37% | 0.369 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -59 | -20.3 | -177.8 | 60.5 | -11.2 | 0 | 0 | 0 | 115.6 | L150 T151 L153 | L150-D158 VanDerWaalsContact CA-OD1 3.31Å; L150-D158 WeakPolarHBondContact CA-OD1 3.32Å; T151-D158 WeakPolarHBondContact CB-OD2 3.42Å; T151-D158 PolarHBondContact N-OD1 3.32Å; T151-D158 PolarHBondContact N-OD2 3.23Å; T151-D158 VanDerWaalsContact N-OD2 3.09Å; T151-D158 PolarHBondContact O-N 2.99Å; T151-D158 PolarHBondContact OG1-OD2 3.37Å; L153-D158 HydrophobicContact CD1-CB 3.76Å; L153-D158 HydrophobicContact CG-CB 4.26Å |
| 159 | N | 81.3 | Confident | 85.4 | Confident | 46 Ų | 46 | 74.7 Ų | 74.7 | 25% | 0.246 | 38% | 0.381 | C | S | . | . | trans | -138.3 | 129.9 | 179.4 | -170.5 | -27.9 | 0 | 0 | 0 | 112.2 | L150 W157 M161 | L150-N159 HydrophobicContact CD2-CB 3.65Å; L150-N159 WeakPolarHBondContact CD2-O 3.41Å; W157-N159 PolarHBondContact O-N 3.49Å; W157-N159 VanDerWaalsContact O-N 3.13Å; N159-M161 VanDerWaalsContact C-N 3.27Å; N159-M161 PolarHBondContact O-N 3.32Å; N159-M161 VanDerWaalsContact OD1-CB 3.27Å; N159-M161 WeakPolarHBondContact OD1-CB 3.33Å; N159-M161 WeakPolarHBondContact OD1-CG 3.49Å; N159-M161 PolarHBondContact OD1-N 3.21Å | ||
| 160 | P | 70.2 | Confident | 83.8 | Confident | 134 Ų | 134 | 77.3 Ų | 77.3 | 87% | 0.87 | 40% | 0.4 | S | S | * | . | trans | -79.3 | 3.2 | 177.9 | 33.8 | -38 | 0 | 0 | 0 | 114.9 | Q162 | P160-Q162 PolarHBondContact O-N 2.9Š| ||
| 161 | M | 67.9 | Low | 81.9 | Confident | 82 Ų | 82 | 85.9 Ų | 85.9 | 40% | 0.404 | 44% | 0.437 | S | S | . | . | trans | -66.2 | 125.7 | -178.3 | -80.8 | 179.1 | 172 | 0 | 0 | 112.9 | D146 N159 I163 | D146-M161 HydrophobicContact CB-CE 4.32Å; D146-M161 HydrophobicContact CB-SD 4.04Å; D146-M161 WeakPolarHBondContact OD2-CE 3.41Å; N159-M161 VanDerWaalsContact C-N 3.27Å; N159-M161 PolarHBondContact O-N 3.32Å; N159-M161 VanDerWaalsContact OD1-CB 3.27Å; N159-M161 WeakPolarHBondContact OD1-CB 3.33Å; N159-M161 WeakPolarHBondContact OD1-CG 3.49Å; N159-M161 PolarHBondContact OD1-N 3.21Å; M161-I163 PolarHBondContact O-N 2.81Å | ||
| 162 | Q | 75.1 | Confident | 79.6 | Confident | 160 Ų | 160 | 92.5 Ų | 92.5 | 75% | 0.748 | 47% | 0.466 | S | S | * | . | trans | -83.6 | 109.9 | 175.1 | -168.8 | 166.8 | 18.4 | 0 | 0 | 110.7 | P160 | P160-Q162 PolarHBondContact O-N 2.9Š| ||
| 163 | I | 87.1 | Confident | 77.4 | Confident | 13 Ų | 13 | 97 Ų | 97 | 7% | 0.067 | 50% | 0.495 | C | S | . | . | trans | -73.7 | 136 | 176 | -55.8 | -155.3 | 0 | 0 | 0 | 110 | Y135 M143 Y147 M161 | Y135-I163 HydrophobicContact CD1-CB 4.48Å; Y135-I163 HydrophobicContact CD2-CD1 3.41Å; Y135-I163 VanDerWaalsContact CD2-CD1 3.41Å; Y135-I163 HydrophobicContact CD2-CG1 4.17Å; Y135-I163 HydrophobicContact CE2-CD1 3.85Å; Y135-I163 HydrophobicContact CE2-CG1 4.19Å; Y135-I163 HydrophobicContact CG-CB 4.45Å; Y135-I163 HydrophobicContact CG-CD1 3.8Å; Y135-I163 HydrophobicContact CG-CG1 4.47Å; Y135-I163 HydrophobicContact CG-CG2 4.45Å; M143-I163 HydrophobicContact CE-CG2 4.15Å; M143-I163 HydrophobicContact CG-CG2 3.49Å; M143-I163 VanDerWaalsContact CG-CG2 3.49Å; M143-I163 HydrophobicContact SD-CD1 3.92Å; M143-I163 HydrophobicContact SD-CG2 3.74Å; Y147-I163 WeakPolarHBondContact O-CD1 3.45Å; M161-I163 PolarHBondContact O-N 2.81Å | ||
| 164 | S | 90.3 | Very high | 75.6 | Confident | 48 Ų | 48 | 98 Ų | 98 | 34% | 0.336 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 130.7 | 175.7 | 163.8 | 0 | 0 | 0 | 0 | 109.4 | K144 | K144-S164 WeakPolarHBondContact CB-O 3.26Å; K144-S164 PolarHBondContact N-O 3.03Å; K144-S164 PolarHBondContact O-N 3.06Å |
| 165 | C | 93.1 | Very high | 73.6 | Confident | 11 Ų | 11 | 100.3 Ų | 100.3 | 7% | 0.074 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 132.3 | 168.4 | -60.4 | 0 | 0 | 0 | 0 | 108.8 | E113 N114 C137 Y141 | E113-C165 WeakPolarHBondContact O-CB 3.27Å; N114-C165 WeakPolarHBondContact O-CB 3.07Å; C137-C165 WeakPolarHBondContact CA-SG 3.42Å; C137-C165 HydrophobicContact CB-CB 3.69Å; C137-C165 WeakPolarHBondContact CB-SG 3.38Å; C137-C165 VanDerWaalsContact SG-CA 3.57Å; C137-C165 WeakPolarHBondContact SG-CB 3.42Å; C137-C165 CovalentContact SG-SG 2.03Å; C137-C165 PolarHBondContact SG-SG 3.1Å; Y141-C165 HydrophobicContact CD1-CB 4.38Å |
| 166 | R | 91.9 | Very high | 71.8 | Confident | 142 Ų | 142 | 105.2 Ų | 105.2 | 54% | 0.536 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 142.1 | 176.1 | -67.4 | -171.5 | 170.4 | -144.7 | -9.8 | 108.3 | Y141 T142 K144 T168 | Y141-R166 CarbonylContact C-O 3.5Å; Y141-R166 VanDerWaalsContact CA-O 3.29Å; Y141-R166 WeakPolarHBondContact CA-O 3.48Å; Y141-R166 VanDerWaalsContact CD1-C 3.43Å; T142-R166 PolarHBondContact N-O 3.06Å; T142-R166 PolarHBondContact O-N 3.22Å; T142-R166 PolarHBondContact OG1-O 2.92Å; K144-R166 HydrophobicContact CB-CG 4.49Å; R166-T168 PolarHBondContact O-N 2.82Å; R166-T168 VanDerWaalsContact O-N 3.1Å |
| 167 | L | 91.3 | Very high | 70 | Confident | 116 Ų | 116 | 105 Ų | 105 | 61% | 0.607 | 55% | 0.551 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -49.1 | 126.8 | 172.2 | -172.5 | 76.2 | 0 | 0 | 0 | 107.7 | Y141 Q169 | Y141-L167 HydrophobicContact CD1-CB 4.46Å; Y141-L167 VanDerWaalsContact CD1-N 3.3Å; Y141-L167 HydrophobicContact CE1-CB 4.22Å; Y141-L167 HydrophobicContact CE1-CD1 4.39Å; Y141-L167 HydrophobicContact CE2-CD1 4.07Å; L167-Q169 PolarHBondContact O-N 2.89Å |
| 168 | T | 80.9 | Confident | 68 | Low | 50 Ų | 50 | 105 Ų | 105 | 31% | 0.307 | 57% | 0.568 | S | S | . | * | trans | -61.3 | 97.8 | 167.2 | -48.7 | 0 | 0 | 0 | 0 | 104.7 | G140 T142 R166 D170 | G140-T168 WeakPolarHBondContact O-CB 3.06Å; G140-T168 PolarHBondContact O-N 3.28Å; G140-T168 PolarHBondContact O-OG1 3.02Å; G140-T168 VanDerWaalsContact O-OG1 3.09Å; T142-T168 HydrophobicContact CG2-CG2 4.06Å; T142-T168 WeakPolarHBondContact CG2-OG1 3.12Å; T142-T168 PolarHBondContact N-OG1 2.88Å; R166-T168 PolarHBondContact O-N 2.82Å; R166-T168 VanDerWaalsContact O-N 3.1Å; T168-D170 PolarHBondContact O-N 3.31Å | ||
| 169 | Q | 73.6 | Confident | 66.6 | Low | 180 Ų | 180 | 108.5 Ų | 108.5 | 84% | 0.841 | 58% | 0.583 | S | S | * | * | trans | -64.4 | 98.3 | 166.7 | -168.7 | 170.9 | 24.8 | 0 | 0 | 103.6 | L167 K171 | L167-Q169 PolarHBondContact O-N 2.89Å; Q169-K171 PolarHBondContact O-N 2.92Å | ||
| 170 | D | 57.7 | Low | 65.3 | Low | 123 Ų | 123 | 110.4 Ų | 110.4 | 66% | 0.658 | 60% | 0.598 | S | S | * | * | trans | -44.4 | 114.8 | 169.3 | -81.8 | -42.8 | 0 | 0 | 0 | 105 | T168 E172 | T168-D170 PolarHBondContact O-N 3.31Å; D170-E172 WeakPolarHBondContact O-CA 3.12Å; D170-E172 PolarHBondContact O-N 3.48Å | ||
| 171 | K | 50.4 | Low | 64.4 | Low | 191 Ų | 191 | 106.8 Ų | 106.8 | 83% | 0.83 | 58% | 0.58 | S | S | * | * | trans | -57.2 | 104.9 | 169.8 | 172.2 | -178.6 | 176.2 | 180 | 0 | 103.4 | Q169 P173 | Q169-K171 PolarHBondContact O-N 2.92Å; K171-P173 VanDerWaalsContact O-N 3.15Å | ||
| 172 | E | 44.2 | Very low | 63.7 | Low | 171 Ų | 171 | 107.2 Ų | 107.2 | 80% | 0.799 | 58% | 0.583 | S | S | * | * | trans | -29.2 | 113.8 | -158.9 | 177.1 | 172.8 | 107.6 | 0 | 0 | 109.5 | D170 S174 | D170-E172 WeakPolarHBondContact O-CA 3.12Å; D170-E172 PolarHBondContact O-N 3.48Å; E172-S174 VanDerWaalsContact O-CA 3.23Å; E172-S174 WeakPolarHBondContact O-CA 3.49Å; E172-S174 PolarHBondContact O-N 2.79Å | ||
| 173 | P | 44.2 | Very low | 62.8 | Low | 94 Ų | 94 | 103.3 Ų | 103.3 | 61% | 0.61 | 57% | 0.574 | S | S | * | * | trans | -48.3 | 108.6 | -160.9 | 18.6 | -32.9 | 0 | 0 | 0 | 106.7 | K171 L175 | K171-P173 VanDerWaalsContact O-N 3.15Å; P173-L175 PolarHBondContact O-N 3.23Å | ||
| 174 | S | 49.8 | Very low | 61.4 | Low | 100 Ų | 100 | 107.4 Ų | 107.4 | 70% | 0.699 | 60% | 0.595 | S | S | * | * | trans | -73.8 | 86.3 | -159.5 | 50.4 | 0 | 0 | 0 | 0 | 106.8 | E172 P176 | E172-S174 VanDerWaalsContact O-CA 3.23Å; E172-S174 WeakPolarHBondContact O-CA 3.49Å; E172-S174 PolarHBondContact O-N 2.79Å; S174-P176 VanDerWaalsContact O-CD 3.3Å; S174-P176 WeakPolarHBondContact O-CD 3.34Å | ||
| 175 | L | 44 | Very low | 59.9 | Low | 147 Ų | 147 | 108.9 Ų | 108.9 | 77% | 0.77 | 60% | 0.601 | S | S | * | * | trans | -51 | 115.1 | -170.5 | -79.7 | 167.3 | 0 | 0 | 0 | 105.6 | P173 L177 | P173-L175 PolarHBondContact O-N 3.23Å; L175-L177 PolarHBondContact O-N 3.05Å | ||
| 176 | P | 47.9 | Very low | 58.3 | Low | 126 Ų | 126 | 114 Ų | 114 | 82% | 0.818 | 63% | 0.627 | S | S | * | * | trans | -78.2 | 52 | -176.9 | 32.3 | -34.8 | 0 | 0 | 0 | 109.6 | S174 | S174-P176 VanDerWaalsContact O-CD 3.3Å; S174-P176 WeakPolarHBondContact O-CD 3.34Å | ||
| 177 | L | 49.7 | Very low | 57.1 | Low | 149 Ų | 149 | 111.4 Ų | 111.4 | 78% | 0.78 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -128.7 | 60.7 | -174.2 | -123.7 | 73.1 | 0 | 0 | 0 | 110.7 | L175 M179 | L175-L177 PolarHBondContact O-N 3.05Å; L177-M179 PolarHBondContact O-N 2.96Å |
| 178 | G | 48.2 | Very low | 56 | Low | 54 Ų | 54 | 109 Ų | 109 | 56% | 0.557 | 62% | 0.618 | S | S | * | * | trans | 67.7 | 48.1 | 134.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 179 | M | 60.3 | Low | 55.7 | Low | 141 Ų | 141 | 109.5 Ų | 109.5 | 70% | 0.695 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.3 | 51.6 | 174.6 | -69.1 | -64.4 | -149.4 | 0 | 0 | 116.6 | L177 L182 | L177-M179 PolarHBondContact O-N 2.96Å; M179-L182 HydrophobicContact CE-CB 4.47Å; M179-L182 HydrophobicContact CE-CD1 3.67Å; M179-L182 HydrophobicContact SD-CB 3.73Å; M179-L182 HydrophobicContact SD-CD1 3.76Å; M179-L182 HydrophobicContact SD-CG 4.1Å |
| 180 | P | 53.9 | Low | 56.2 | Low | 86 Ų | 86 | 104.3 Ų | 104.3 | 56% | 0.558 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | -31.6 | 140.4 | -2.4 | 20.1 | 0 | 0 | 0 | 110.9 | L182 S183 I184 | P180-L182 PolarHBondContact O-N 2.82Å; P180-S183 PolarHBondContact O-N 3.37Å; P180-I184 HydrophobicContact CB-CD1 4.21Å; P180-I184 VanDerWaalsContact O-CG1 3.28Å; P180-I184 WeakPolarHBondContact O-CG1 3.4Å; P180-I184 PolarHBondContact O-N 2.92Å |
| 181 | A | 52 | Low | 57.6 | Low | 58 Ų | 58 | 101 Ų | 101 | 48% | 0.479 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -62.6 | -47.5 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S183 I184 V185 | A181-S183 PolarHBondContact O-N 3.39Å; A181-I184 PolarHBondContact O-N 2.86Å; A181-V185 VanDerWaalsContact O-CB 3.31Å; A181-V185 WeakPolarHBondContact O-CB 3.04Å; A181-V185 WeakPolarHBondContact O-CG2 3.47Å; A181-V185 PolarHBondContact O-N 3.47Å |
| 182 | L | 53.1 | Low | 59.5 | Low | 91 Ų | 91 | 95.9 Ų | 95.9 | 48% | 0.476 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -71.2 | -28.1 | 178.6 | -71.6 | 175.7 | 0 | 0 | 0 | 113.5 | M179 P180 V185 L186 | M179-L182 HydrophobicContact CE-CB 4.47Å; M179-L182 HydrophobicContact CE-CD1 3.67Å; M179-L182 HydrophobicContact SD-CB 3.73Å; M179-L182 HydrophobicContact SD-CD1 3.76Å; M179-L182 HydrophobicContact SD-CG 4.1Å; P180-L182 PolarHBondContact O-N 2.82Å; L182-V185 PolarHBondContact O-N 2.78Å; L182-L186 WeakPolarHBondContact O-CB 3.45Å; L182-L186 VanDerWaalsContact O-CD1 3.25Å; L182-L186 WeakPolarHBondContact O-CD1 3.39Å; L182-L186 PolarHBondContact O-N 2.82Å |
| 183 | S | 55.5 | Low | 61.7 | Low | 78 Ų | 78 | 93.5 Ų | 93.5 | 55% | 0.545 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -68.8 | -41.3 | 171.9 | -170.3 | 0 | 0 | 0 | 0 | 111.5 | P180 A181 T187 | P180-S183 PolarHBondContact O-N 3.37Å; A181-S183 PolarHBondContact O-N 3.39Å; S183-T187 WeakPolarHBondContact O-CB 3.46Å; S183-T187 WeakPolarHBondContact O-CG2 3.44Å; S183-T187 PolarHBondContact O-N 3.2Å; S183-T187 PolarHBondContact O-OG1 3.47Å |
| 184 | I | 57.4 | Low | 63.9 | Low | 100 Ų | 100 | 93.6 Ų | 93.6 | 51% | 0.513 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -68.2 | -37.5 | 174 | -64.7 | 164.5 | 0 | 0 | 0 | 111 | P180 A181 T187 T188 | P180-I184 HydrophobicContact CB-CD1 4.21Å; P180-I184 VanDerWaalsContact O-CG1 3.28Å; P180-I184 WeakPolarHBondContact O-CG1 3.4Å; P180-I184 PolarHBondContact O-N 2.92Å; A181-I184 PolarHBondContact O-N 2.86Å; I184-T187 WeakPolarHBondContact CA-OG1 3Å; I184-T187 PolarHBondContact O-OG1 3.28Å; I184-T187 VanDerWaalsContact O-OG1 3.08Å; I184-T188 HydrophobicContact CG2-CG2 4.35Å; I184-T188 WeakPolarHBondContact O-CB 3.36Å; I184-T188 VanDerWaalsContact O-CG2 3.3Å; I184-T188 WeakPolarHBondContact O-CG2 3.45Å; I184-T188 PolarHBondContact O-N 3.07Å; I184-T188 PolarHBondContact O-OG1 2.95Å |
| 185 | V | 59.7 | Low | 65.9 | Low | 78 Ų | 78 | 93.6 Ų | 93.6 | 47% | 0.473 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -72.7 | -39.5 | 178.3 | 169 | 0 | 0 | 0 | 0 | 111.8 | A181 L182 T188 A189 | A181-V185 VanDerWaalsContact O-CB 3.31Å; A181-V185 WeakPolarHBondContact O-CB 3.04Å; A181-V185 WeakPolarHBondContact O-CG2 3.47Å; A181-V185 PolarHBondContact O-N 3.47Å; L182-V185 PolarHBondContact O-N 2.78Å; V185-T188 WeakPolarHBondContact CA-OG1 3.03Å; V185-T188 PolarHBondContact O-OG1 3.2Å; V185-A189 WeakPolarHBondContact O-CB 3.47Å; V185-A189 PolarHBondContact O-N 2.94Å |
| 186 | L | 59.7 | Low | 68.3 | Low | 119 Ų | 119 | 91.6 Ų | 91.6 | 62% | 0.623 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.2 | -41.7 | 172.9 | -96.8 | 71.5 | 0 | 0 | 0 | 111.5 | L182 S190 | L182-L186 WeakPolarHBondContact O-CB 3.45Å; L182-L186 VanDerWaalsContact O-CD1 3.25Å; L182-L186 WeakPolarHBondContact O-CD1 3.39Å; L182-L186 PolarHBondContact O-N 2.82Å; L186-S190 WeakPolarHBondContact O-CB 3.16Å; L186-S190 PolarHBondContact O-N 2.9Å |
| 187 | T | 65.2 | Low | 70.5 | Confident | 87 Ų | 87 | 90.9 Ų | 90.9 | 53% | 0.534 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -70.5 | -37.2 | 178.5 | 48.5 | 0 | 0 | 0 | 0 | 113 | S183 I184 S191 | S183-T187 WeakPolarHBondContact O-CB 3.46Å; S183-T187 WeakPolarHBondContact O-CG2 3.44Å; S183-T187 PolarHBondContact O-N 3.2Å; S183-T187 PolarHBondContact O-OG1 3.47Å; I184-T187 WeakPolarHBondContact CA-OG1 3Å; I184-T187 PolarHBondContact O-OG1 3.28Å; I184-T187 VanDerWaalsContact O-OG1 3.08Å; T187-S191 WeakPolarHBondContact O-CB 3.45Å; T187-S191 PolarHBondContact O-N 2.86Å; T187-S191 PolarHBondContact O-OG 2.95Å |
| 188 | T | 69.8 | Low | 72.5 | Confident | 67 Ų | 67 | 88.3 Ų | 88.3 | 41% | 0.411 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -74.8 | -37.3 | 174.9 | 52.1 | 0 | 0 | 0 | 0 | 113.1 | I184 V185 S191 V192 | I184-T188 HydrophobicContact CG2-CG2 4.35Å; I184-T188 WeakPolarHBondContact O-CB 3.36Å; I184-T188 VanDerWaalsContact O-CG2 3.3Å; I184-T188 WeakPolarHBondContact O-CG2 3.45Å; I184-T188 PolarHBondContact O-N 3.07Å; I184-T188 PolarHBondContact O-OG1 2.95Å; V185-T188 WeakPolarHBondContact CA-OG1 3.03Å; V185-T188 PolarHBondContact O-OG1 3.2Å; T188-S191 PolarHBondContact O-N 3.29Å; T188-S191 PolarHBondContact O-OG 2.9Å; T188-S191 VanDerWaalsContact O-OG 3.09Å; T188-V192 WeakPolarHBondContact O-CB 3.05Å; T188-V192 VanDerWaalsContact O-CG2 3.3Å; T188-V192 WeakPolarHBondContact O-CG2 3.36Å; T188-V192 PolarHBondContact O-N 2.9Å |
| 189 | A | 73.8 | Confident | 74.7 | Confident | 59 Ų | 59 | 89.6 Ų | 89.6 | 49% | 0.488 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.3 | -41.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | V185 L193 | V185-A189 WeakPolarHBondContact O-CB 3.47Å; V185-A189 PolarHBondContact O-N 2.94Å; A189-L193 WeakPolarHBondContact O-CB 3.49Å; A189-L193 PolarHBondContact O-N 2.04Å |
| 190 | S | 83.7 | Confident | 76.3 | Confident | 72 Ų | 72 | 87 Ų | 87 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 175 | -173.9 | 0 | 0 | 0 | 0 | 112 | L186 L193 L194 | L186-S190 WeakPolarHBondContact O-CB 3.16Å; L186-S190 PolarHBondContact O-N 2.9Å; S190-L193 PolarHBondContact O-N 2.03Å; S190-L194 WeakPolarHBondContact O-CB 3.22Å; S190-L194 PolarHBondContact O-N 3.34Å |
| 191 | S | 86.6 | Confident | 77.9 | Confident | 53 Ų | 53 | 87.2 Ų | 87.2 | 37% | 0.371 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.3 | -41.1 | 179.6 | 70.8 | 0 | 0 | 0 | 0 | 112.6 | T187 T188 L194 I195 | T187-S191 WeakPolarHBondContact O-CB 3.45Å; T187-S191 PolarHBondContact O-N 2.86Å; T187-S191 PolarHBondContact O-OG 2.95Å; T188-S191 PolarHBondContact O-N 3.29Å; T188-S191 PolarHBondContact O-OG 2.9Å; T188-S191 VanDerWaalsContact O-OG 3.09Å; S191-L194 PolarHBondContact O-N 2.83Å; S191-I195 WeakPolarHBondContact O-CB 3.39Å; S191-I195 WeakPolarHBondContact O-CD1 3.41Å; S191-I195 VanDerWaalsContact O-CG1 3.22Å; S191-I195 WeakPolarHBondContact O-CG1 3.47Å; S191-I195 PolarHBondContact O-N 3.29Å |
| 192 | V | 91.4 | Very high | 79.7 | Confident | 83 Ų | 83 | 90.6 Ų | 90.6 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 174.8 | 171.8 | 0 | 0 | 0 | 0 | 111 | T188 L194 I195 L196 | T188-V192 WeakPolarHBondContact O-CB 3.05Å; T188-V192 VanDerWaalsContact O-CG2 3.3Å; T188-V192 WeakPolarHBondContact O-CG2 3.36Å; T188-V192 PolarHBondContact O-N 2.9Å; V192-L194 VanDerWaalsContact C-N 3.34Å; V192-L194 PolarHBondContact O-N 3.5Å; V192-I195 PolarHBondContact O-N 3.28Å; V192-L196 HydrophobicContact CG1-CD1 4Å; V192-L196 HydrophobicContact CG1-CG 4.43Å; V192-L196 WeakPolarHBondContact O-CB 3.07Å; V192-L196 VanDerWaalsContact O-CG 3.31Å; V192-L196 WeakPolarHBondContact O-CG 3.4Å; V192-L196 PolarHBondContact O-N 3.13Å |
| 193 | L | 90.8 | Very high | 81.3 | Confident | 121 Ų | 121 | 90.6 Ų | 90.6 | 63% | 0.634 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.3 | -40.2 | 177.9 | -172.9 | 65 | 0 | 0 | 0 | 112 | A189 S190 L196 L197 | A189-L193 WeakPolarHBondContact O-CB 3.49Å; A189-L193 PolarHBondContact O-N 2.04Å; S190-L193 PolarHBondContact O-N 2.03Å; L193-L196 PolarHBondContact O-N 3.07Å; L193-L197 WeakPolarHBondContact O-CB 3.24Å; L193-L197 PolarHBondContact O-N 3.2Å |
| 194 | L | 90.3 | Very high | 82.6 | Confident | 96 Ų | 96 | 92.6 Ų | 92.6 | 50% | 0.503 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.5 | -42 | 178 | -153.2 | 163.5 | 0 | 0 | 0 | 111.2 | S190 S191 V192 L197 L198 | S190-L194 WeakPolarHBondContact O-CB 3.22Å; S190-L194 PolarHBondContact O-N 3.34Å; S191-L194 PolarHBondContact O-N 2.83Å; V192-L194 VanDerWaalsContact C-N 3.34Å; V192-L194 PolarHBondContact O-N 3.5Å; L194-L197 PolarHBondContact O-N 3.45Å; L194-L198 HydrophobicContact CD2-CD1 3.59Å; L194-L198 HydrophobicContact CD2-CG 3.95Å; L194-L198 WeakPolarHBondContact O-CG 3.41Å; L194-L198 PolarHBondContact O-N 3.49Å |
| 195 | I | 91.8 | Very high | 83.7 | Confident | 101 Ų | 101 | 90.4 Ų | 90.4 | 52% | 0.518 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62 | -46.2 | 174 | -69 | 163.2 | 0 | 0 | 0 | 110.9 | S191 V192 L197 L198 V199 | S191-I195 WeakPolarHBondContact O-CB 3.39Å; S191-I195 WeakPolarHBondContact O-CD1 3.41Å; S191-I195 VanDerWaalsContact O-CG1 3.22Å; S191-I195 WeakPolarHBondContact O-CG1 3.47Å; S191-I195 PolarHBondContact O-N 3.29Å; V192-I195 PolarHBondContact O-N 3.28Å; I195-L197 VanDerWaalsContact C-N 3.34Å; I195-L197 PolarHBondContact O-N 2.93Å; I195-L198 PolarHBondContact O-N 3.46Å; I195-V199 HydrophobicContact CG2-CG2 4.5Å; I195-V199 WeakPolarHBondContact O-CG2 3.38Å; I195-V199 PolarHBondContact O-N 3.39Å |
| 196 | L | 93.5 | Very high | 84.2 | Confident | 104 Ų | 104 | 90.1 Ų | 90.1 | 55% | 0.545 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.3 | -42.1 | 176.9 | -71.5 | 172.5 | 0 | 0 | 0 | 111.7 | V192 L193 V199 V200 | V192-L196 HydrophobicContact CG1-CD1 4Å; V192-L196 HydrophobicContact CG1-CG 4.43Å; V192-L196 WeakPolarHBondContact O-CB 3.07Å; V192-L196 VanDerWaalsContact O-CG 3.31Å; V192-L196 WeakPolarHBondContact O-CG 3.4Å; V192-L196 PolarHBondContact O-N 3.13Å; L193-L196 PolarHBondContact O-N 3.07Å; L196-V199 PolarHBondContact O-N 2.93Å; L196-V200 WeakPolarHBondContact O-CG2 3.23Å; L196-V200 PolarHBondContact O-N 2.74Å |
| 197 | L | 93.9 | Very high | 84.5 | Confident | 112 Ų | 112 | 88.5 Ų | 88.5 | 59% | 0.586 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64 | -39.9 | 176.2 | -174.3 | 132.8 | 0 | 0 | 0 | 112.1 | L193 L194 I195 V200 L201 | L193-L197 WeakPolarHBondContact O-CB 3.24Å; L193-L197 PolarHBondContact O-N 3.2Å; L194-L197 PolarHBondContact O-N 3.45Å; I195-L197 VanDerWaalsContact C-N 3.34Å; I195-L197 PolarHBondContact O-N 2.93Å; L197-V200 PolarHBondContact O-N 3.07Å; L197-L201 VanDerWaalsContact O-CB 3.26Å; L197-L201 WeakPolarHBondContact O-CB 3.3Å; L197-L201 PolarHBondContact O-N 2.83Å |
| 198 | L | 92.3 | Very high | 84.4 | Confident | 94 Ų | 94 | 91.8 Ų | 91.8 | 49% | 0.492 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66 | -39.5 | 174 | -73.3 | 173.7 | 0 | 0 | 0 | 112.5 | L194 I195 L201 F202 | L194-L198 HydrophobicContact CD2-CD1 3.59Å; L194-L198 HydrophobicContact CD2-CG 3.95Å; L194-L198 WeakPolarHBondContact O-CG 3.41Å; L194-L198 PolarHBondContact O-N 3.49Å; I195-L198 PolarHBondContact O-N 3.46Å; L198-L201 PolarHBondContact O-N 2.93Å; L198-F202 WeakPolarHBondContact O-CB 3.41Å; L198-F202 PolarHBondContact O-N 3.12Å |
| 199 | V | 94.1 | Very high | 83.8 | Confident | 81 Ų | 81 | 92.6 Ų | 92.6 | 49% | 0.491 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.7 | -44.9 | 175.5 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | I195 L196 F202 V203 | I195-V199 HydrophobicContact CG2-CG2 4.5Å; I195-V199 WeakPolarHBondContact O-CG2 3.38Å; I195-V199 PolarHBondContact O-N 3.39Å; L196-V199 PolarHBondContact O-N 2.93Å; V199-F202 PolarHBondContact O-N 3.01Å; V199-V203 HydrophobicContact CG1-CG2 4.5Å; V199-V203 WeakPolarHBondContact O-CB 3.36Å; V199-V203 VanDerWaalsContact O-CG2 3.31Å; V199-V203 WeakPolarHBondContact O-CG2 3.3Å; V199-V203 PolarHBondContact O-N 3.36Å |
| 200 | V | 93 | Very high | 83.2 | Confident | 87 Ų | 87 | 97.4 Ų | 97.4 | 53% | 0.527 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.8 | -46.9 | 175.4 | 170.6 | 0 | 0 | 0 | 0 | 110.7 | L196 L197 F202 V203 L204 | L196-V200 WeakPolarHBondContact O-CG2 3.23Å; L196-V200 PolarHBondContact O-N 2.74Å; L197-V200 PolarHBondContact O-N 3.07Å; V200-F202 VanDerWaalsContact C-N 3.35Å; V200-F202 PolarHBondContact O-N 3.31Å; V200-V203 PolarHBondContact O-N 3.21Å; V200-L204 HydrophobicContact CG1-CD1 3.84Å; V200-L204 HydrophobicContact CG1-CG 4.37Å; V200-L204 WeakPolarHBondContact O-CB 3.26Å; V200-L204 VanDerWaalsContact O-CG 3.28Å; V200-L204 WeakPolarHBondContact O-CG 3.47Å; V200-L204 PolarHBondContact O-N 3.24Å |
| 201 | L | 89.5 | Confident | 82 | Confident | 91 Ų | 91 | 97.8 Ų | 97.8 | 48% | 0.476 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.8 | -45 | 176.3 | -176.8 | 65.1 | 0 | 0 | 0 | 111.2 | L197 L198 V203 L204 V205 | L197-L201 VanDerWaalsContact O-CB 3.26Å; L197-L201 WeakPolarHBondContact O-CB 3.3Å; L197-L201 PolarHBondContact O-N 2.83Å; L198-L201 PolarHBondContact O-N 2.93Å; L201-V203 PolarHBondContact O-N 2.99Å; L201-L204 PolarHBondContact O-N 2.78Å; L201-V205 HydrophobicContact CD1-CG2 4.04Å; L201-V205 HydrophobicContact CG-CG2 4.29Å; L201-V205 VanDerWaalsContact O-CB 3.24Å; L201-V205 WeakPolarHBondContact O-CB 2.88Å; L201-V205 WeakPolarHBondContact O-CG2 3.22Å; L201-V205 PolarHBondContact O-N 2.87Å |
| 202 | F | 87.9 | Confident | 80.5 | Confident | 129 Ų | 129 | 102.4 Ų | 102.4 | 57% | 0.566 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -59.5 | -47.4 | 176.4 | -175.8 | -99 | 0 | 0 | 0 | 111.2 | L198 V199 V200 L204 V205 Q206 | L198-F202 WeakPolarHBondContact O-CB 3.41Å; L198-F202 PolarHBondContact O-N 3.12Å; V199-F202 PolarHBondContact O-N 3.01Å; V200-F202 VanDerWaalsContact C-N 3.35Å; V200-F202 PolarHBondContact O-N 3.31Å; F202-L204 VanDerWaalsContact C-N 3.35Å; F202-L204 PolarHBondContact O-N 3.36Å; F202-V205 CarbonylContact O-C 3.53Å; F202-V205 PolarHBondContact O-N 3.25Å; F202-Q206 HydrophobicContact CD1-CG 4Å; F202-Q206 HydrophobicContact CE1-CG 3.91Å; F202-Q206 VanDerWaalsContact CE1-NE2 3.33Å; F202-Q206 HydrophobicContact CZ-CG 4.45Å; F202-Q206 VanDerWaalsContact O-CG 3.31Å; F202-Q206 WeakPolarHBondContact O-CG 3.27Å; F202-Q206 PolarHBondContact O-N 2.91Å |
| 203 | V | 87.9 | Confident | 78.8 | Confident | 90 Ų | 90 | 104.6 Ų | 104.6 | 55% | 0.545 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.6 | -36.6 | 177.6 | 171.3 | 0 | 0 | 0 | 0 | 112.3 | V199 V200 L201 P207 | V199-V203 HydrophobicContact CG1-CG2 4.5Å; V199-V203 WeakPolarHBondContact O-CB 3.36Å; V199-V203 VanDerWaalsContact O-CG2 3.31Å; V199-V203 WeakPolarHBondContact O-CG2 3.3Å; V199-V203 PolarHBondContact O-N 3.36Å; V200-V203 PolarHBondContact O-N 3.21Å; L201-V203 PolarHBondContact O-N 2.99Å; V203-P207 WeakPolarHBondContact O-CD 3.29Å |
| 204 | L | 82.2 | Confident | 77 | Confident | 120 Ų | 120 | 105.2 Ų | 105.2 | 63% | 0.628 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -73.3 | -28.7 | 174.7 | -68.1 | 173.4 | 0 | 0 | 0 | 113 | V200 L201 F202 | V200-L204 HydrophobicContact CG1-CD1 3.84Å; V200-L204 HydrophobicContact CG1-CG 4.37Å; V200-L204 WeakPolarHBondContact O-CB 3.26Å; V200-L204 VanDerWaalsContact O-CG 3.28Å; V200-L204 WeakPolarHBondContact O-CG 3.47Å; V200-L204 PolarHBondContact O-N 3.24Å; L201-L204 PolarHBondContact O-N 2.78Å; F202-L204 VanDerWaalsContact C-N 3.35Å; F202-L204 PolarHBondContact O-N 3.36Å |
| 205 | V | 80.5 | Confident | 75.1 | Confident | 55 Ų | 55 | 105.5 Ų | 105.5 | 33% | 0.333 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -86.6 | -23.6 | 178.1 | 171.9 | 0 | 0 | 0 | 0 | 112 | L201 F202 K208 L209 | L201-V205 HydrophobicContact CD1-CG2 4.04Å; L201-V205 HydrophobicContact CG-CG2 4.29Å; L201-V205 VanDerWaalsContact O-CB 3.24Å; L201-V205 WeakPolarHBondContact O-CB 2.88Å; L201-V205 WeakPolarHBondContact O-CG2 3.22Å; L201-V205 PolarHBondContact O-N 2.87Å; F202-V205 CarbonylContact O-C 3.53Å; F202-V205 PolarHBondContact O-N 3.25Å; V205-K208 CarbonylContact O-C 3.59Å; V205-K208 WeakPolarHBondContact O-CA 3.4Å; V205-K208 WeakPolarHBondContact O-CB 3.13Å; V205-K208 PolarHBondContact O-N 3.45Å; V205-L209 HydrophobicContact CG1-CD1 3.64Å; V205-L209 HydrophobicContact CG1-CG 3.7Å; V205-L209 PolarHBondContact O-N 3.49Å |
| 206 | Q | 70.4 | Confident | 73.2 | Confident | 72 Ų | 72 | 110.2 Ų | 110.2 | 34% | 0.336 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -52.3 | -49.1 | 175.3 | -82.7 | -49.2 | -56 | 0 | 0 | 112.9 | F202 K208 L209 K210 | F202-Q206 HydrophobicContact CD1-CG 4Å; F202-Q206 HydrophobicContact CE1-CG 3.91Å; F202-Q206 VanDerWaalsContact CE1-NE2 3.33Å; F202-Q206 HydrophobicContact CZ-CG 4.45Å; F202-Q206 VanDerWaalsContact O-CG 3.31Å; F202-Q206 WeakPolarHBondContact O-CG 3.27Å; F202-Q206 PolarHBondContact O-N 2.91Å; Q206-K208 VanDerWaalsContact C-N 3.3Å; Q206-K208 PolarHBondContact O-N 3.41Å; Q206-L209 PolarHBondContact O-N 3.05Å; Q206-K210 WeakPolarHBondContact O-CB 3.27Å; Q206-K210 PolarHBondContact O-N 2.95Å |
| 207 | P | 65.4 | Low | 71.1 | Confident | 84 Ų | 84 | 114.8 Ų | 114.8 | 55% | 0.545 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -57.2 | -40.4 | 173.2 | -25.6 | 32.6 | 0 | 0 | 0 | 113.5 | V203 S211 | V203-P207 WeakPolarHBondContact O-CD 3.29Å; P207-S211 VanDerWaalsContact O-CB 3.26Å; P207-S211 WeakPolarHBondContact O-CB 3.43Å; P207-S211 PolarHBondContact O-N 3.45Å |
| 208 | K | 62.7 | Low | 68.9 | Low | 157 Ų | 157 | 116.7 Ų | 116.7 | 68% | 0.683 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -71.8 | -43.7 | -177.4 | -69.9 | -79.5 | -178.7 | 168.2 | 0 | 111.9 | V205 Q206 F212 | V205-K208 CarbonylContact O-C 3.59Å; V205-K208 WeakPolarHBondContact O-CA 3.4Å; V205-K208 WeakPolarHBondContact O-CB 3.13Å; V205-K208 PolarHBondContact O-N 3.45Å; Q206-K208 VanDerWaalsContact C-N 3.3Å; Q206-K208 PolarHBondContact O-N 3.41Å; K208-F212 PolarHBondContact O-N 2.77Å |
| 209 | L | 58.9 | Low | 66.9 | Low | 83 Ų | 83 | 120 Ų | 120 | 44% | 0.435 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -69.5 | -37.9 | 175 | -75.8 | 175.9 | 0 | 0 | 0 | 112.2 | V205 Q206 S211 F212 H213 | V205-L209 HydrophobicContact CG1-CD1 3.64Å; V205-L209 HydrophobicContact CG1-CG 3.7Å; V205-L209 PolarHBondContact O-N 3.49Å; Q206-L209 PolarHBondContact O-N 3.05Å; L209-S211 VanDerWaalsContact C-N 3.35Å; L209-F212 PolarHBondContact O-N 3.34Å; L209-H213 WeakPolarHBondContact O-CB 3.46Å; L209-H213 PolarHBondContact O-CD2 2.69Å; L209-H213 PolarHBondContact O-N 3.4Å |
| 210 | K | 61.4 | Low | 64.4 | Low | 161 Ų | 161 | 118.7 Ų | 118.7 | 70% | 0.7 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -68.7 | -34.9 | 177.1 | -160.5 | 162.3 | -173.2 | 171.4 | 0 | 111.8 | Q206 H214 | Q206-K210 WeakPolarHBondContact O-CB 3.27Å; Q206-K210 PolarHBondContact O-N 2.95Å; K210-H214 PolarHBondContact O-N 2.93Å; K210-H214 VanDerWaalsContact O-N 3.11Å |
| 211 | S | 58.1 | Low | 62.2 | Low | 79 Ų | 79 | 121.2 Ų | 121.2 | 55% | 0.552 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.4 | -45.6 | 167.3 | 175.1 | 0 | 0 | 0 | 0 | 112.1 | P207 L209 H213 H214 N215 | P207-S211 VanDerWaalsContact O-CB 3.26Å; P207-S211 WeakPolarHBondContact O-CB 3.43Å; P207-S211 PolarHBondContact O-N 3.45Å; L209-S211 VanDerWaalsContact C-N 3.35Å; S211-H213 PolarHBondContact O-N 2.84Å; S211-H214 PolarHBondContact O-N 3.11Å; S211-N215 PolarHBondContact O-N 3.46Å |
| 212 | F | 54.7 | Low | 60.1 | Low | 150 Ų | 150 | 121.6 Ų | 121.6 | 66% | 0.658 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -62.6 | -40 | 176.4 | -115.8 | -89.4 | 0 | 0 | 0 | 113.2 | K208 L209 N215 R216 | K208-F212 PolarHBondContact O-N 2.77Å; L209-F212 PolarHBondContact O-N 3.34Å; F212-N215 PolarHBondContact O-N 2.83Å; F212-R216 WeakPolarHBondContact O-CB 3.36Å; F212-R216 PolarHBondContact O-N 2.95Å |
| 213 | H | 55 | Low | 58.6 | Low | 130 Ų | 130 | 119.4 Ų | 119.4 | 60% | 0.602 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -70.6 | -29.3 | 176.9 | -93.3 | -90.2 | 0 | 0 | 0 | 113.3 | L209 S211 R217 | L209-H213 WeakPolarHBondContact O-CB 3.46Å; L209-H213 PolarHBondContact O-CD2 2.69Å; L209-H213 PolarHBondContact O-N 3.4Å; S211-H213 PolarHBondContact O-N 2.84Å; H213-R217 WeakPolarHBondContact O-CB 3.25Å; H213-R217 PolarHBondContact O-N 3.38Å; H213-R217 VanDerWaalsContact O-N 3.17Å |
| 214 | H | 53.5 | Low | 56.5 | Low | 134 Ų | 134 | 123.7 Ų | 123.7 | 62% | 0.62 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -71.9 | -44.6 | 172.4 | -144 | 61.8 | 0 | 0 | 0 | 110.8 | K210 S211 R216 R217 E218 | K210-H214 PolarHBondContact O-N 2.93Å; K210-H214 VanDerWaalsContact O-N 3.11Å; S211-H214 PolarHBondContact O-N 3.11Å; H214-R216 VanDerWaalsContact C-N 3.34Å; H214-R216 PolarHBondContact O-N 2.87Å; H214-R217 PolarHBondContact O-N 2.9Å; H214-E218 PolarHBondContact O-N 3.16Å |
| 215 | N | 51.1 | Low | 54.9 | Low | 102 Ų | 102 | 123.4 Ų | 123.4 | 55% | 0.545 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -62.1 | -39.4 | 176 | -157.4 | 7.7 | 0 | 0 | 0 | 112.1 | S211 F212 R217 Q219 | S211-N215 PolarHBondContact O-N 3.46Å; F212-N215 PolarHBondContact O-N 2.83Å; N215-R217 VanDerWaalsContact C-N 3.29Å; N215-R217 PolarHBondContact O-N 2.92Å; N215-Q219 PolarHBondContact O-N 3.39Å |
| 216 | R | 50.4 | Low | 53.7 | Low | 199 Ų | 199 | 125.4 Ų | 125.4 | 75% | 0.751 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -71.1 | -19.1 | 174.5 | -162.8 | 176.5 | -173.5 | -168.1 | 2.3 | 113.7 | F212 H214 | F212-R216 WeakPolarHBondContact O-CB 3.36Å; F212-R216 PolarHBondContact O-N 2.95Å; H214-R216 VanDerWaalsContact C-N 3.34Å; H214-R216 PolarHBondContact O-N 2.87Å |
| 217 | R | 49.2 | Very low | 52.9 | Low | 201 Ų | 201 | 124.3 Ų | 124.3 | 76% | 0.758 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -85.6 | -30.7 | 178.4 | -163.5 | 173.2 | -165.8 | 176 | 4.6 | 112.8 | H213 H214 N215 | H213-R217 WeakPolarHBondContact O-CB 3.25Å; H213-R217 PolarHBondContact O-N 3.38Å; H213-R217 VanDerWaalsContact O-N 3.17Å; H214-R217 PolarHBondContact O-N 2.9Å; N215-R217 VanDerWaalsContact C-N 3.29Å; N215-R217 PolarHBondContact O-N 2.92Å |
| 218 | E | 48.2 | Very low | 52.6 | Low | 151 Ų | 151 | 124.8 Ų | 124.8 | 71% | 0.706 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -79.5 | -27.2 | 176.3 | -68.3 | -67.4 | 126 | 0 | 0 | 112.8 | H214 | H214-E218 PolarHBondContact O-N 3.16Å |
| 219 | Q | 51.6 | Low | 52.4 | Low | 165 Ų | 165 | 121.2 Ų | 121.2 | 77% | 0.771 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | 19.5 | 177.8 | -135.2 | 94.1 | 36.7 | 0 | 0 | 114 | N215 | N215-Q219 PolarHBondContact O-N 3.39Š|
| 220 | G | 41.3 | Very low | 52.1 | Low | 53 Ų | 53 | 121.9 Ų | 121.9 | 55% | 0.546 | 65% | 0.654 | S | S | . | * | trans | -114.8 | 84.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 221 | V | 46.3 | Very low | 52 | Low | 140 Ų | 140 | 123.7 Ų | 123.7 | 85% | 0.848 | 67% | 0.665 | S | S | * | * | trans | -57.8 | 137.3 | 177.9 | 166.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 222 | S | 46.5 | Very low | 52.2 | Low | 98 Ų | 98 | 123.3 Ų | 123.3 | 69% | 0.685 | 67% | 0.674 | S | S | * | * | trans | 34.3 | 124.5 | 155.3 | -158.5 | 0 | 0 | 0 | 0 | 119.5 | Q224 | S222-Q224 PolarHBondContact O-N 2.86Š| ||
| 223 | G | 55.1 | Low | 52.4 | Low | 84 Ų | 84 | 121 Ų | 121 | 87% | 0.866 | 67% | 0.671 | S | S | * | * | trans | -63.7 | 103.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 224 | Q | 43.8 | Very low | 52 | Low | 180 Ų | 180 | 121.4 Ų | 121.4 | 84% | 0.841 | 67% | 0.673 | S | S | * | * | trans | -106.3 | 129 | 159.4 | -80.8 | -172 | -80.4 | 0 | 0 | 109.8 | S222 | S222-Q224 PolarHBondContact O-N 2.86Š| ||
| 225 | T | 49.2 | Very low | 52.5 | Low | 113 Ų | 113 | 118.9 Ų | 118.9 | 69% | 0.693 | 67% | 0.667 | S | S | * | * | trans | -66.7 | 136.7 | 166.9 | 44.3 | 0 | 0 | 0 | 0 | 109.9 | S227 | T225-S227 PolarHBondContact O-N 3.43Š| ||
| 226 | S | 54.5 | Low | 53 | Low | 97 Ų | 97 | 118 Ų | 118 | 68% | 0.678 | 67% | 0.67 | S | S | * | * | trans | -65.4 | 103.7 | 177.7 | -54.3 | 0 | 0 | 0 | 0 | 110.2 | L237 | S226-L237 PolarHBondContact O-N 3.24Š| ||
| 227 | S | 53.7 | Low | 53.5 | Low | 50 Ų | 50 | 113.4 Ų | 113.4 | 35% | 0.35 | 66% | 0.659 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108 | 141.8 | 174.8 | 59 | 0 | 0 | 0 | 0 | 110.8 | T225 V235 | T225-S227 PolarHBondContact O-N 3.43Å; S227-V235 WeakPolarHBondContact CA-O 3.46Å |
| 228 | I | 60 | Low | 54 | Low | 94 Ų | 94 | 107.7 Ų | 107.7 | 48% | 0.482 | 65% | 0.648 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.5 | 140.1 | 171.9 | -167.6 | 158.9 | 0 | 0 | 0 | 108.6 | V235 L237 | I228-V235 PolarHBondContact N-O 2.87Å; I228-V235 VanDerWaalsContact N-O 3.15Å; I228-V235 PolarHBondContact O-N 3.19Å; I228-L237 HydrophobicContact CG2-CD1 4.32Å; I228-L237 HydrophobicContact CG2-CD2 4.32Å; I228-L237 HydrophobicContact CG2-CG 4.33Å |
| 229 | V | 57.6 | Low | 54.7 | Low | 82 Ų | 82 | 103.2 Ų | 103.2 | 50% | 0.497 | 63% | 0.634 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.2 | 122.6 | 177.1 | 179.8 | 0 | 0 | 0 | 0 | 108.1 | Q234 | V229-Q234 HydrophobicContact CG2-CB 4.12Å; V229-Q234 HydrophobicContact CG2-CG 4.03Å |
| 230 | V | 53.1 | Low | 54.9 | Low | 96 Ų | 96 | 104.1 Ų | 104.1 | 58% | 0.582 | 63% | 0.631 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -124.2 | 125.3 | 172.3 | -174.7 | 0 | 0 | 0 | 0 | 106.7 | G232 V233 | V230-G232 PolarHBondContact O-N 2.96Å; V230-V233 PolarHBondContact N-O 3.47Å; V230-V233 PolarHBondContact O-N 2.91Å; V230-V233 VanDerWaalsContact O-N 3.16Å |
| 231 | E | 58.5 | Low | 55.7 | Low | 200 Ų | 200 | 107.2 Ų | 107.2 | 94% | 0.935 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 50.4 | 33.7 | 179 | -61.1 | -175.3 | 159.3 | 0 | 0 | 115.1 | ||
| 232 | G | 62.1 | Low | 56.4 | Low | 71 Ų | 71 | 105.5 Ų | 105.5 | 73% | 0.732 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 87.4 | -3.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | V230 | V230-G232 PolarHBondContact O-N 2.96Š|
| 233 | V | 58.9 | Low | 57 | Low | 100 Ų | 100 | 104.4 Ų | 104.4 | 61% | 0.606 | 61% | 0.611 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -100.2 | 129.5 | 172.3 | -175 | 0 | 0 | 0 | 0 | 109.4 | V230 | V230-V233 PolarHBondContact N-O 3.47Å; V230-V233 PolarHBondContact O-N 2.91Å; V230-V233 VanDerWaalsContact O-N 3.16Å |
| 234 | Q | 48.4 | Very low | 56.8 | Low | 139 Ų | 139 | 103.9 Ų | 103.9 | 65% | 0.65 | 59% | 0.591 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -92.6 | 119.4 | -178.5 | -171.1 | 172.7 | 98.9 | 0 | 0 | 109.9 | V229 | V229-Q234 HydrophobicContact CG2-CB 4.12Å; V229-Q234 HydrophobicContact CG2-CG 4.03Å |
| 235 | V | 62.8 | Low | 57.4 | Low | 81 Ų | 81 | 104.7 Ų | 104.7 | 49% | 0.491 | 59% | 0.587 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.5 | 123.6 | -179.8 | -174.1 | 0 | 0 | 0 | 0 | 109.2 | S227 I228 | S227-V235 WeakPolarHBondContact CA-O 3.46Å; I228-V235 PolarHBondContact N-O 2.87Å; I228-V235 VanDerWaalsContact N-O 3.15Å; I228-V235 PolarHBondContact O-N 3.19Å |
| 236 | S | 62.8 | Low | 57.4 | Low | 85 Ų | 85 | 101.4 Ų | 101.4 | 59% | 0.594 | 58% | 0.576 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -74.6 | 124.7 | 172.1 | 51.7 | 0 | 0 | 0 | 0 | 110.1 | ||
| 237 | L | 59.5 | Low | 57.2 | Low | 102 Ų | 102 | 101.8 Ų | 101.8 | 53% | 0.534 | 58% | 0.579 | S | S | . | * | P | Polyproline II helix | trans | -79.9 | 139.4 | 173.6 | -63.9 | 172.1 | 0 | 0 | 0 | 109.8 | S226 I228 | S226-L237 PolarHBondContact O-N 3.24Å; I228-L237 HydrophobicContact CG2-CD1 4.32Å; I228-L237 HydrophobicContact CG2-CD2 4.32Å; I228-L237 HydrophobicContact CG2-CG 4.33Å |
| 238 | P | 60.6 | Low | 57 | Low | 81 Ų | 81 | 105.1 Ų | 105.1 | 53% | 0.526 | 60% | 0.602 | S | S | . | * | P | Polyproline II helix | trans | -65.1 | 152.3 | 175.2 | 28.3 | -34.5 | 0 | 0 | 0 | 110.8 | E242 | P238-E242 HydrophobicContact CB-CB 4.3Å; P238-E242 HydrophobicContact CB-CG 4.42Å; P238-E242 WeakPolarHBondContact CB-OE2 3.34Å |
| 239 | S | 62.4 | Low | 56.1 | Low | 57 Ų | 57 | 103.5 Ų | 103.5 | 40% | 0.399 | 61% | 0.609 | S | S | . | * | P | Polyproline II helix | trans | -71.3 | 159.6 | 175.8 | -163.8 | 0 | 0 | 0 | 0 | 111.2 | E241 E242 A243 | S239-E241 VanDerWaalsContact C-N 3.29Å; S239-E241 WeakPolarHBondContact CB-OE1 3.48Å; S239-E241 PolarHBondContact O-N 2.91Å; S239-E241 PolarHBondContact OG-OE1 2.75Å; S239-E241 PolarHBondContact OG-OE2 2.97Å; S239-E241 VanDerWaalsContact OG-OE2 3.08Å; S239-E242 WeakPolarHBondContact O-CB 3.31Å; S239-E242 PolarHBondContact O-N 2.81Å; S239-A243 PolarHBondContact O-N 2.92Å; S239-A243 VanDerWaalsContact O-N 3.16Å |
| 240 | Y | 56.1 | Low | 55.4 | Low | 183 Ų | 183 | 105.4 Ų | 105.4 | 72% | 0.718 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -57.8 | -41 | -176.6 | 174.9 | -100.5 | 0 | 0 | 0 | 112.1 | E242 A243 V244 | Y240-E242 VanDerWaalsContact C-N 3.29Å; Y240-E242 PolarHBondContact O-N 3.31Å; Y240-A243 PolarHBondContact O-N 3.2Å; Y240-V244 HydrophobicContact CD1-CG2 4.48Å; Y240-V244 HydrophobicContact CD2-CG2 4.1Å; Y240-V244 HydrophobicContact CE1-CG2 4.15Å; Y240-V244 HydrophobicContact CE2-CG2 3.74Å; Y240-V244 HydrophobicContact CG-CG2 4.46Å; Y240-V244 WeakPolarHBondContact O-CB 3.34Å; Y240-V244 VanDerWaalsContact O-CG2 3.3Å; Y240-V244 WeakPolarHBondContact O-CG2 3.46Å; Y240-V244 PolarHBondContact O-N 2.86Å; Y240-V244 VanDerWaalsContact O-N 3.12Å |
| 241 | E | 58.1 | Low | 54.5 | Low | 118 Ų | 118 | 107.2 Ų | 107.2 | 55% | 0.551 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -61.5 | -32.8 | 175.1 | 56.3 | -82.4 | -179.1 | 0 | 0 | 113.9 | S239 Y245 | S239-E241 VanDerWaalsContact C-N 3.29Å; S239-E241 WeakPolarHBondContact CB-OE1 3.48Å; S239-E241 PolarHBondContact O-N 2.91Å; S239-E241 PolarHBondContact OG-OE1 2.75Å; S239-E241 PolarHBondContact OG-OE2 2.97Å; S239-E241 VanDerWaalsContact OG-OE2 3.08Å; E241-Y245 PolarHBondContact O-N 3Å; E241-Y245 VanDerWaalsContact O-N 3.17Å |
| 242 | E | 59.7 | Low | 53.2 | Low | 105 Ų | 105 | 100.8 Ų | 100.8 | 49% | 0.491 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -78 | -35.4 | -178 | -166.8 | 173.1 | -153 | 0 | 0 | 111.7 | P238 S239 Y240 G246 | P238-E242 HydrophobicContact CB-CB 4.3Å; P238-E242 HydrophobicContact CB-CG 4.42Å; P238-E242 WeakPolarHBondContact CB-OE2 3.34Å; S239-E242 WeakPolarHBondContact O-CB 3.31Å; S239-E242 PolarHBondContact O-N 2.81Å; Y240-E242 VanDerWaalsContact C-N 3.29Å; Y240-E242 PolarHBondContact O-N 3.31Å; E242-G246 PolarHBondContact O-N 3.3Å |
| 243 | A | 59.1 | Low | 51.8 | Low | 75 Ų | 75 | 106.7 Ų | 106.7 | 62% | 0.62 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -74.2 | -28 | 175 | 0 | 0 | 0 | 0 | 0 | 113.9 | S239 Y240 | S239-A243 PolarHBondContact O-N 2.92Å; S239-A243 VanDerWaalsContact O-N 3.16Å; Y240-A243 PolarHBondContact O-N 3.2Å |
| 244 | V | 51.5 | Low | 50.8 | Low | 72 Ų | 72 | 107.6 Ų | 107.6 | 44% | 0.436 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -89.5 | -36.4 | -177.2 | 173.5 | 0 | 0 | 0 | 0 | 113 | Y240 | Y240-V244 HydrophobicContact CD1-CG2 4.48Å; Y240-V244 HydrophobicContact CD2-CG2 4.1Å; Y240-V244 HydrophobicContact CE1-CG2 4.15Å; Y240-V244 HydrophobicContact CE2-CG2 3.74Å; Y240-V244 HydrophobicContact CG-CG2 4.46Å; Y240-V244 WeakPolarHBondContact O-CB 3.34Å; Y240-V244 VanDerWaalsContact O-CG2 3.3Å; Y240-V244 WeakPolarHBondContact O-CG2 3.46Å; Y240-V244 PolarHBondContact O-N 2.86Å; Y240-V244 VanDerWaalsContact O-N 3.12Å |
| 245 | Y | 56.6 | Low | 50.3 | Low | 197 Ų | 197 | 104.6 Ų | 104.6 | 77% | 0.773 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -106.5 | -14.8 | -173.6 | -72 | -74.5 | 0 | 0 | 0 | 115.4 | E241 | E241-Y245 PolarHBondContact O-N 3Å; E241-Y245 VanDerWaalsContact O-N 3.17Å |
| 246 | G | 50 | Low | 49.3 | Very low | 44 Ų | 44 | 107.2 Ų | 107.2 | 45% | 0.454 | 67% | 0.672 | S | S | . | * | trans | 72.7 | 135.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | E242 S248 | E242-G246 PolarHBondContact O-N 3.3Å; G246-S248 PolarHBondContact O-N 3.13Å | ||
| 247 | S | 50.7 | Low | 48.1 | Very low | 106 Ų | 106 | 108.7 Ų | 108.7 | 74% | 0.741 | 68% | 0.683 | S | S | * | * | trans | -68.8 | 98.1 | -179.2 | -167 | 0 | 0 | 0 | 0 | 111.2 | G249 | S247-G249 PolarHBondContact O-N 3.21Š| ||
| 248 | S | 48.5 | Very low | 47.6 | Very low | 120 Ų | 120 | 109.9 Ų | 109.9 | 84% | 0.839 | 70% | 0.696 | S | S | * | * | trans | -99.8 | 61.1 | 175.3 | 39.8 | 0 | 0 | 0 | 0 | 111 | G246 | G246-S248 PolarHBondContact O-N 3.13Š| ||
| 249 | G | 40.4 | Very low | 46.4 | Very low | 60 Ų | 60 | 111.5 Ų | 111.5 | 62% | 0.619 | 71% | 0.71 | S | S | * | * | trans | -78.5 | 148.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S247 | S247-G249 PolarHBondContact O-N 3.21Š| ||
| 250 | P | 44.3 | Very low | 45.8 | Very low | 121 Ų | 121 | 114.5 Ų | 114.5 | 79% | 0.786 | 73% | 0.728 | S | S | * | * | trans | -99.4 | 172.7 | -154.7 | 38.3 | -38 | 0 | 0 | 0 | 116.6 | ||||
| 251 | C | 33.1 | Very low | 45.8 | Very low | 134 Ų | 134 | 111.6 Ų | 111.6 | 91% | 0.905 | 73% | 0.731 | S | S | * | * | trans | 105 | 121.4 | 168.7 | -60.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 252 | G | 32.4 | Very low | 45.2 | Very low | 65 Ų | 65 | 112.2 Ų | 112.2 | 67% | 0.67 | 75% | 0.746 | S | S | * | * | cis | -176.9 | -173 | -2.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 253 | M | 31.6 | Very low | 44.1 | Very low | 195 Ų | 195 | 111.8 Ų | 111.8 | 96% | 0.961 | 76% | 0.76 | S | S | * | * | trans | 73.4 | 130 | -170.4 | -48.5 | 171.7 | 74.5 | 0 | 0 | 113.5 | ||||
| 254 | S | 37.7 | Very low | 43.4 | Very low | 120 Ų | 120 | 113.2 Ų | 113.2 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | cis | -163.7 | 144.2 | -6.4 | 46.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 255 | G | 37.6 | Very low | 42.7 | Very low | 75 Ų | 75 | 114.5 Ų | 114.5 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | 140.7 | 141.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 256 | P | 42.6 | Very low | 42.2 | Very low | 137 Ų | 137 | 111 Ų | 111 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -100.6 | 172.7 | -157.5 | 38.5 | -35.7 | 0 | 0 | 0 | 117 | ||
| 257 | S | 38.5 | Very low | 42.3 | Very low | 116 Ų | 116 | 114.7 Ų | 114.7 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 163.1 | -172.1 | -79.4 | 0 | 0 | 0 | 0 | 118.1 | ||
| 258 | P | 47.8 | Very low | 41.5 | Very low | 127 Ų | 127 | 118.9 Ų | 118.9 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 168.7 | -173.8 | 37 | -38.4 | 0 | 0 | 0 | 114.6 | ||
| 259 | S | 35.4 | Very low | 40.9 | Very low | 115 Ų | 115 | 118.2 Ų | 118.2 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -135 | 158.9 | 165.5 | 60.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 260 | P | 50.7 | Low | 40.9 | Very low | 119 Ų | 119 | 127.5 Ų | 127.5 | 77% | 0.773 | 83% | 0.827 | S | S | * | * | trans | -93.9 | 174.9 | -150.4 | 38.7 | -38.1 | 0 | 0 | 0 | 114.7 | ||||
| 261 | P | 56 | Low | 40.6 | Very low | 122 Ų | 122 | 127.3 Ų | 127.3 | 79% | 0.792 | 82% | 0.823 | S | S | * | * | trans | -89.1 | 164.6 | -163 | 36.7 | -36.5 | 0 | 0 | 0 | 114 | ||||
| 262 | P | 44.3 | Very low | 41 | Very low | 132 Ų | 132 | 126.2 Ų | 126.2 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | trans | -118.9 | 167.1 | 151.8 | 29.4 | -13.4 | 0 | 0 | 0 | 113 | ||||
| 263 | A | 37.8 | Very low | 41.3 | Very low | 95 Ų | 95 | 130.5 Ų | 130.5 | 79% | 0.785 | 82% | 0.821 | S | S | * | * | trans | -100.7 | 163.1 | -166 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 264 | A | 43.8 | Very low | 41.5 | Very low | 106 Ų | 106 | 127 Ų | 127 | 88% | 0.876 | 81% | 0.809 | S | S | * | * | trans | 48.4 | 119.7 | 150.3 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 265 | A | 37.4 | Very low | 41.3 | Very low | 99 Ų | 99 | 129.3 Ų | 129.3 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -143.5 | 154.7 | 157.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 266 | P | 45.2 | Very low | 41.2 | Very low | 123 Ų | 123 | 131.4 Ų | 131.4 | 80% | 0.799 | 82% | 0.815 | S | S | * | * | trans | -92.8 | -177.7 | -166.3 | 40.7 | -38.5 | 0 | 0 | 0 | 113.3 | ||||
| 267 | P | 51.8 | Low | 41 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 79% | 0.792 | 82% | 0.817 | S | S | * | * | trans | -95.1 | 139 | -161.2 | 35.7 | -31.9 | 0 | 0 | 0 | 114.3 | ||||
| 268 | E | 33.6 | Very low | 40.8 | Very low | 194 Ų | 194 | 132.4 Ų | 132.4 | 91% | 0.907 | 81% | 0.814 | S | S | * | * | trans | -140.9 | 146.6 | 164.8 | -72 | -159.5 | 138.6 | 0 | 0 | 114.3 | ||||
| 269 | S | 36.9 | Very low | 40.1 | Very low | 106 Ų | 106 | 134.6 Ų | 134.6 | 74% | 0.741 | 82% | 0.818 | S | S | * | * | trans | 50.9 | 97.4 | 156.4 | -152.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 270 | R | 40.6 | Very low | 40.4 | Very low | 254 Ų | 254 | 134.9 Ų | 134.9 | 96% | 0.958 | 82% | 0.817 | S | S | * | * | trans | -107.2 | 111.6 | 151.5 | -75.4 | -171.5 | 178.3 | -132.4 | 0.7 | 109.8 | ||||
| 271 | V | 38.1 | Very low | 39.8 | Very low | 117 Ų | 117 | 138.9 Ų | 138.9 | 71% | 0.709 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 132.8 | 169.1 | 178.2 | 0 | 0 | 0 | 0 | 108.9 | ||
| 272 | P | 40.3 | Very low | 38.7 | Very low | 112 Ų | 112 | 136.8 Ų | 136.8 | 73% | 0.727 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -80 | 138.5 | 177.3 | 31.7 | -33.6 | 0 | 0 | 0 | 111.8 | ||
| 273 | I | 39.4 | Very low | 38.2 | Very low | 155 Ų | 155 | 135.2 Ų | 135.2 | 80% | 0.795 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 126.1 | 169.1 | -62.6 | 174.2 | 0 | 0 | 0 | 108.1 | ||
| 274 | V | 35.5 | Very low | 38 | Very low | 120 Ų | 120 | 135.9 Ų | 135.9 | 73% | 0.727 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 133 | 175.5 | 176.8 | 0 | 0 | 0 | 0 | 109 | ||
| 275 | L | 33.6 | Very low | 37.3 | Very low | 169 Ų | 169 | 135 Ų | 135 | 89% | 0.885 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -102.6 | 125.2 | 169.6 | -74.6 | 167.6 | 0 | 0 | 0 | 109.3 | ||
| 276 | S | 36.6 | Very low | 37 | Very low | 120 Ų | 120 | 133.6 Ų | 133.6 | 84% | 0.839 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 122.5 | 176.2 | -54.6 | 0 | 0 | 0 | 0 | 109.2 | ||
| 277 | E | 37.7 | Very low | 36.2 | Very low | 201 Ų | 201 | 137 Ų | 137 | 94% | 0.939 | 83% | 0.831 | S | S | * | * | trans | -106.1 | 116.6 | 177.5 | -143.8 | 171.9 | 162.9 | 0 | 0 | 110.2 | ||||
| 278 | G | 34.3 | Very low | 35.2 | Very low | 72 Ų | 72 | 135.7 Ų | 135.7 | 74% | 0.742 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 140 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 279 | L | 33.6 | Very low | 34.9 | Very low | 174 Ų | 174 | 131.9 Ų | 131.9 | 91% | 0.911 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 130.1 | -179.1 | -152 | 79.8 | 0 | 0 | 0 | 111.5 | ||
| 280 | P | 41.4 | Very low | 34.7 | Very low | 120 Ų | 120 | 132 Ų | 132 | 78% | 0.779 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 158.2 | -179.3 | 32.9 | -34 | 0 | 0 | 0 | 113.9 | ||
| 281 | Q | 36.7 | Very low | 34.1 | Very low | 203 Ų | 203 | 130.8 Ų | 130.8 | 95% | 0.949 | 82% | 0.816 | S | S | * | * | trans | -108.3 | 154.5 | -179.8 | -70.9 | 178.6 | -21.8 | 0 | 0 | 113.3 | ||||
| 282 | G | 32.9 | Very low | 33.7 | Very low | 78 Ų | 78 | 129.5 Ų | 129.5 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | 133.7 | 143.5 | 154.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 283 | A | 34.1 | Very low | 33.2 | Very low | 100 Ų | 100 | 134.5 Ų | 134.5 | 83% | 0.826 | 82% | 0.817 | S | S | * | * | cis | -167 | 168.4 | -9.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 284 | A | 34.4 | Very low | 32.7 | Very low | 109 Ų | 109 | 134.1 Ų | 134.1 | 90% | 0.901 | 81% | 0.812 | S | S | * | * | trans | 94.3 | 133.4 | 147.9 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 285 | G | 29.1 | Very low | 32.4 | Very low | 87 Ų | 87 | 136.4 Ų | 136.4 | 90% | 0.897 | 81% | 0.814 | S | S | * | * | trans | 119 | 114.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 286 | G | 30.6 | Very low | 32.2 | Very low | 70 Ų | 70 | 138 Ų | 138 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | cis | 159 | 133.9 | -8.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 287 | Q | 29.7 | Very low | 31.9 | Very low | 194 Ų | 194 | 138.2 Ų | 138.2 | 91% | 0.907 | 80% | 0.796 | S | S | * | * | trans | 67.7 | 154.5 | 174.3 | -56.9 | -178.2 | 33.1 | 0 | 0 | 116.6 | ||||
| 288 | S | 29 | Very low | 31.7 | Very low | 94 Ų | 94 | 135.2 Ų | 135.2 | 66% | 0.657 | 79% | 0.786 | S | S | * | * | cis | 172.9 | 127 | -41.4 | 50.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 289 | S | 28.7 | Very low | 31.4 | Very low | 114 Ų | 114 | 138 Ų | 138 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | 154.8 | 132.4 | 132.4 | -73 | 0 | 0 | 0 | 0 | 115 | ||||
| 290 | S | 31.2 | Very low | 31.1 | Very low | 110 Ų | 110 | 138.8 Ų | 138.8 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | -30.8 | 155.1 | 163.4 | 49.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 291 | R | 29.3 | Very low | 30.5 | Very low | 228 Ų | 228 | 138.6 Ų | 138.6 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | -177.6 | 126 | 62.3 | -179.5 | 166.8 | -173.4 | 174.8 | 3.7 | 114.5 | |||||
| 292 | S | 29.5 | Very low | 30.1 | Very low | 90 Ų | 90 | 136.8 Ų | 136.8 | 63% | 0.629 | 78% | 0.776 | S | S | * | * | trans | 27.6 | 136 | 150.3 | 72.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 293 | R | 29.4 | Very low | 30.5 | Very low | 216 Ų | 216 | 138 Ų | 138 | 82% | 0.815 | 77% | 0.77 | S | S | * | * | -173.6 | 140.9 | 71.9 | -105.5 | -176.2 | 169.6 | 162.5 | -2.4 | 114.5 | |||||
| 294 | Q | 29.9 | Very low | 30.7 | Very low | 148 Ų | 148 | 139.2 Ų | 139.2 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | trans | 52.9 | 107.5 | 136.9 | -70.7 | 170.7 | -74.1 | 0 | 0 | 123.5 | ||||
| 295 | H | 27.7 | Very low | 30.4 | Very low | 167 Ų | 167 | 139.5 Ų | 139.5 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | 72.3 | 131.9 | 113.6 | -108.2 | -64.3 | 0 | 0 | 0 | 124.2 | |||||
| 296 | R | 30.1 | Very low | 30.6 | Very low | 202 Ų | 202 | 140.1 Ų | 140.1 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | trans | 76.8 | 149.1 | 154.5 | -64.7 | -160 | 122.7 | 125.1 | 8.8 | 118.9 | ||||
| 297 | E | 30.6 | Very low | 30.6 | Very low | 126 Ų | 126 | 141.9 Ų | 141.9 | 59% | 0.589 | 76% | 0.755 | S | S | * | * | cis | -172.1 | 171.6 | -27.6 | -157.3 | 162.6 | 135.5 | 0 | 0 | 107.3 | ||||
| 298 | L | 33.4 | Very low | 30.6 | Very low | 138 Ų | 138 | 138.2 Ų | 138.2 | 72% | 0.723 | 75% | 0.751 | S | S | * | * | trans | 74.1 | 106.3 | 170.1 | -50.4 | 169 | 0 | 0 | 0 | 114.9 | ||||
| 299 | D | 27.3 | Very low | 30.6 | Very low | 131 Ų | 131 | 139.1 Ų | 139.1 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | 91.6 | 121.4 | 64.8 | -83.1 | -38.6 | 0 | 0 | 0 | 112.8 | |||||
| 300 | F | 28.8 | Very low | 30.5 | Very low | 190 Ų | 190 | 142.9 Ų | 142.9 | 83% | 0.833 | 76% | 0.76 | S | S | * | * | 178.6 | 132.1 | 109 | -110.5 | -93.8 | 0 | 0 | 0 | 114 | |||||
| 301 | C | 27.3 | Very low | 30.4 | Very low | 115 Ų | 115 | 143.1 Ų | 143.1 | 78% | 0.777 | 76% | 0.761 | S | S | * | * | trans | 53.2 | 106.9 | 153 | -74.6 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 302 | L | 30.2 | Very low | 30.4 | Very low | 165 Ų | 165 | 137 Ų | 137 | 86% | 0.864 | 75% | 0.753 | S | S | * | * | trans | -55.9 | -178.4 | 140.1 | -60 | 169.6 | 0 | 0 | 0 | 112.5 | ||||
| 303 | P | 40.8 | Very low | 30.5 | Very low | 104 Ų | 104 | 143.4 Ų | 143.4 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | cis | -135.9 | 169.1 | 2.8 | 34.9 | -14.6 | 0 | 0 | 0 | 117.3 | ||||
| 304 | S | 37.2 | Very low | 30.6 | Very low | 126 Ų | 126 | 144.8 Ų | 144.8 | 88% | 0.881 | 77% | 0.769 | S | S | * | * | trans | -98.7 | 136.2 | 147.5 | -60.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 305 | T | 28.8 | Very low | 30.7 | Very low | 115 Ų | 115 | 146.9 Ų | 146.9 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | -126.5 | 107.8 | 169 | 35.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 306 | S | 33.5 | Very low | 30.8 | Very low | 100 Ų | 100 | 143.6 Ų | 143.6 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | 63.7 | 128.4 | 87.1 | 74.9 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 307 | S | 30.1 | Very low | 31 | Very low | 106 Ų | 106 | 142.7 Ų | 142.7 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | cis | 156.6 | 130.9 | 0.2 | 44.4 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 308 | S | 29.1 | Very low | 31.1 | Very low | 118 Ų | 118 | 143.7 Ų | 143.7 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -170.7 | 89.1 | 158.3 | 35.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 309 | S | 29.7 | Very low | 31 | Very low | 113 Ų | 113 | 143.3 Ų | 143.3 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | 36.1 | 128.2 | 124.7 | -49.6 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 310 | F | 27.5 | Very low | 31.3 | Very low | 193 Ų | 193 | 145.2 Ų | 145.2 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | trans | 80.1 | 106.9 | 134.3 | -109.8 | -101.7 | 0 | 0 | 0 | 121.1 | ||||
| 311 | S | 27.5 | Very low | 31.4 | Very low | 115 Ų | 115 | 142.2 Ų | 142.2 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | -177 | 154.4 | 99.4 | -82.5 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 312 | S | 30 | Very low | 31.7 | Very low | 98 Ų | 98 | 145.6 Ų | 145.6 | 69% | 0.685 | 81% | 0.812 | S | S | * | * | trans | -61.2 | 153.3 | -174.5 | -111.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 313 | R | 31.4 | Very low | 31.7 | Very low | 225 Ų | 225 | 146.8 Ų | 146.8 | 85% | 0.849 | 81% | 0.814 | S | S | * | * | trans | 60.5 | 118.5 | 146.4 | -61.2 | 174.2 | -174.8 | -168.7 | 1 | 119 | ||||
| 314 | R | 31.3 | Very low | 31.2 | Very low | 246 Ų | 246 | 145.9 Ų | 145.9 | 93% | 0.928 | 82% | 0.815 | S | S | * | * | -179 | 159.7 | 93.8 | -91 | 179.5 | -162.1 | -145.5 | 4.2 | 110.8 | |||||
| 315 | H | 33 | Very low | 31.2 | Very low | 191 Ų | 191 | 146.3 Ų | 146.3 | 88% | 0.884 | 82% | 0.815 | S | S | * | * | trans | -62.7 | 142.6 | 169.4 | -83.1 | -96.1 | 0 | 0 | 0 | 112 | ||||
| 316 | A | 29.9 | Very low | 31.2 | Very low | 99 Ų | 99 | 146.4 Ų | 146.4 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -156.5 | 127.6 | 143.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 317 | E | 32.9 | Very low | 31 | Very low | 183 Ų | 183 | 147.3 Ų | 147.3 | 86% | 0.855 | 83% | 0.827 | S | S | * | * | trans | -85.1 | 145.3 | 172.5 | -62.3 | 165.5 | 118.2 | 0 | 0 | 110.3 | ||||
| 318 | T | 33.7 | Very low | 31.1 | Very low | 146 Ų | 146 | 147.9 Ų | 147.9 | 90% | 0.896 | 83% | 0.83 | S | S | * | * | trans | -146.8 | 112.8 | 152.1 | 48.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 319 | V | 31.8 | Very low | 31.3 | Very low | 131 Ų | 131 | 147.8 Ų | 147.8 | 79% | 0.794 | 83% | 0.83 | S | S | * | * | trans | -109.8 | 129.3 | 167.8 | 175.2 | 0 | 0 | 0 | 0 | 107.9 | V321 | V319-V321 PolarHBondContact O-N 3.43Š| ||
| 320 | L | 32.2 | Very low | 31 | Very low | 171 Ų | 171 | 148.9 Ų | 148.9 | 90% | 0.895 | 84% | 0.836 | S | S | * | * | trans | -74.2 | 115.6 | 178 | -75.5 | 160 | 0 | 0 | 0 | 110 | ||||
| 321 | V | 32 | Very low | 31.3 | Very low | 126 Ų | 126 | 145.3 Ų | 145.3 | 76% | 0.764 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 119.5 | 174.4 | 178.6 | 0 | 0 | 0 | 0 | 109.4 | V319 | V319-V321 PolarHBondContact O-N 3.43Š|
| 322 | H | 32.3 | Very low | 31.3 | Very low | 186 Ų | 186 | 145.3 Ų | 145.3 | 86% | 0.861 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -79 | 130 | 165.1 | -83.6 | -85.7 | 0 | 0 | 0 | 110.1 | ||
| 323 | Q | 31 | Very low | 31.4 | Very low | 190 Ų | 190 | 145.4 Ų | 145.4 | 89% | 0.888 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -80 | 142 | 177.2 | -67.8 | 175 | -17.4 | 0 | 0 | 111.4 | ||
| 324 | A | 31.1 | Very low | 31.4 | Very low | 85 Ų | 85 | 140.8 Ų | 140.8 | 70% | 0.702 | 83% | 0.833 | S | S | * | * | trans | -111.2 | 142.7 | 158.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 325 | P | 36.7 | Very low | 31.3 | Very low | 136 Ų | 136 | 134.9 Ų | 134.9 | 88% | 0.883 | 83% | 0.829 | S | S | * | * | trans | -78.3 | 146.2 | -177.5 | 31.3 | -34.4 | 0 | 0 | 0 | 112.4 | ||||
| 326 | S | 28.6 | Very low | 31.2 | Very low | 117 Ų | 117 | 138.2 Ų | 138.2 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | trans | -117 | 127.5 | -176.9 | -43.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 327 | S | 30.2 | Very low | 31.1 | Very low | 119 Ų | 119 | 138 Ų | 138 | 83% | 0.832 | 83% | 0.832 | S | S | * | * | trans | -178.5 | 148.7 | 152.6 | 50.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 328 | S | 32.3 | Very low | 31.1 | Very low | 117 Ų | 117 | 140 Ų | 140 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | cis | -163.1 | 144.7 | -14.9 | 42.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 329 | S | 31.7 | Very low | 31 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 81% | 0.811 | 83% | 0.83 | S | S | * | * | trans | -71.3 | 146.6 | -176.5 | -40.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 330 | C | 24.6 | Very low | 30.9 | Very low | 136 Ų | 136 | 143.2 Ų | 143.2 | 92% | 0.919 | 83% | 0.828 | S | S | * | * | trans | -163.3 | 143.3 | 140.9 | -101.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 331 | S | 32.3 | Very low | 30.9 | Very low | 119 Ų | 119 | 143.6 Ų | 143.6 | 83% | 0.832 | 83% | 0.83 | S | S | * | * | trans | -116.3 | 134.7 | -174.2 | -46.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 332 | S | 29.3 | Very low | 31 | Very low | 115 Ų | 115 | 142.1 Ų | 142.1 | 80% | 0.804 | 83% | 0.831 | S | S | * | * | trans | -170.8 | 110.3 | 155.3 | 39.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 333 | S | 31.7 | Very low | 31 | Very low | 99 Ų | 99 | 137 Ų | 137 | 69% | 0.692 | 83% | 0.828 | S | S | * | * | trans | 32.7 | 123.6 | 134.7 | 59 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 334 | T | 30.3 | Very low | 31.1 | Very low | 129 Ų | 129 | 132.4 Ų | 132.4 | 79% | 0.791 | 82% | 0.823 | S | S | * | * | trans | 56.5 | 125.6 | 137.8 | 54.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 335 | S | 29.8 | Very low | 31.1 | Very low | 121 Ų | 121 | 140.9 Ų | 140.9 | 85% | 0.846 | 84% | 0.837 | S | S | * | * | 172.3 | 169.2 | 112.6 | 48.1 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 336 | W | 31.1 | Very low | 30.9 | Very low | 262 Ų | 262 | 139.3 Ų | 139.3 | 99% | 0.992 | 84% | 0.835 | S | S | * | * | trans | -99.9 | 139 | -174.4 | -60.4 | -6.5 | 0 | 0 | 0 | 113.8 | ||||
| 337 | A | 27.9 | Very low | 31.1 | Very low | 95 Ų | 95 | 137 Ų | 137 | 79% | 0.785 | 83% | 0.83 | S | S | * | * | trans | -175.2 | 140.9 | 149.8 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 338 | R | 33 | Very low | 32.1 | Very low | 223 Ų | 223 | 138 Ų | 138 | 84% | 0.842 | 83% | 0.833 | S | S | * | * | cis | 79.4 | 70.2 | 17.1 | -152.6 | -172.4 | -172.1 | 138.5 | 4.9 | 117.6 | ||||
| 339 | E | 30.3 | Very low | 32.3 | Very low | 185 Ų | 185 | 140 Ų | 140 | 86% | 0.864 | 84% | 0.835 | S | S | * | * | trans | -134.7 | 123.8 | 148 | -62.7 | -172.6 | 120 | 0 | 0 | 106.6 | ||||
| 340 | H | 30.3 | Very low | 33.2 | Very low | 160 Ų | 160 | 139.8 Ų | 139.8 | 74% | 0.741 | 83% | 0.83 | S | S | * | * | 57.8 | 103.5 | 66.2 | -89.4 | -79.8 | 0 | 0 | 0 | 115.2 | |||||
| 341 | L | 33.4 | Very low | 33.5 | Very low | 180 Ų | 180 | 140.2 Ų | 140.2 | 94% | 0.942 | 82% | 0.823 | S | S | * | * | trans | -143.9 | 121.9 | 149.1 | -118.9 | 160.8 | 0 | 0 | 0 | 108.7 | ||||
| 342 | A | 33.7 | Very low | 33.4 | Very low | 94 Ų | 94 | 144.8 Ų | 144.8 | 78% | 0.777 | 82% | 0.822 | S | S | * | * | trans | -110.2 | 144.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 343 | G | 31 | Very low | 33.5 | Very low | 79 Ų | 79 | 150.6 Ų | 150.6 | 81% | 0.814 | 83% | 0.826 | S | S | * | * | trans | -164.5 | 96.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 344 | A | 33.3 | Very low | 33.6 | Very low | 93 Ų | 93 | 152.5 Ų | 152.5 | 77% | 0.769 | 83% | 0.828 | S | S | * | * | trans | -76.9 | 173.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 345 | W | 31.2 | Very low | 34 | Very low | 264 Ų | 264 | 152.2 Ų | 152.2 | 100% | 1 | 83% | 0.832 | S | S | * | * | -168.4 | 168.3 | 121 | -103.6 | 45.9 | 0 | 0 | 0 | 109.5 | |||||
| 346 | A | 32.9 | Very low | 34.4 | Very low | 102 Ų | 102 | 155.4 Ų | 155.4 | 84% | 0.843 | 83% | 0.833 | S | S | * | * | trans | -89.2 | 166.2 | -152.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 347 | G | 33.1 | Very low | 34.5 | Very low | 70 Ų | 70 | 147.7 Ų | 147.7 | 72% | 0.722 | 82% | 0.819 | S | S | * | * | trans | -78.8 | -161.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 348 | P | 50.6 | Low | 34.9 | Very low | 138 Ų | 138 | 148.2 Ų | 148.2 | 90% | 0.896 | 82% | 0.817 | S | S | * | * | -143.4 | 173.2 | 67.1 | 37.4 | -18.7 | 0 | 0 | 0 | 117.8 | |||||
| 349 | L | 37.6 | Very low | 35.6 | Very low | 161 Ų | 161 | 144.6 Ų | 144.6 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | trans | -76.8 | 158.7 | 177.8 | -91 | 166.9 | 0 | 0 | 0 | 113.8 | ||||
| 350 | P | 50.8 | Low | 36.1 | Very low | 111 Ų | 111 | 143.8 Ų | 143.8 | 72% | 0.721 | 81% | 0.811 | S | S | * | * | -146.4 | -168.1 | 82.5 | 43.3 | -23.7 | 0 | 0 | 0 | 113.5 | |||||
| 351 | L | 29.6 | Very low | 36.4 | Very low | 145 Ų | 145 | 143.3 Ų | 143.3 | 76% | 0.759 | 81% | 0.809 | S | S | * | * | cis | -158.3 | 106.9 | 7.1 | -144.2 | 163.7 | 0 | 0 | 0 | 113 | ||||
| 352 | R | 31.1 | Very low | 36.5 | Very low | 214 Ų | 214 | 140.5 Ų | 140.5 | 81% | 0.808 | 80% | 0.804 | S | S | * | * | trans | 33.2 | 126.9 | 144 | -154.6 | -174.2 | -157 | 148.2 | 4.3 | 121.8 | ||||
| 353 | R | 30.8 | Very low | 36.8 | Very low | 237 Ų | 237 | 143.4 Ų | 143.4 | 89% | 0.894 | 81% | 0.806 | S | S | * | * | -172.4 | 136.4 | 112.6 | -135.5 | 179.2 | -163.5 | 103.4 | -0.3 | 114.7 | |||||
| 354 | D | 33.6 | Very low | 37.2 | Very low | 139 Ų | 139 | 146.9 Ų | 146.9 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | trans | -96.9 | 165.8 | 176.5 | -42 | -88.3 | 0 | 0 | 0 | 112.8 | ||||
| 355 | S | 38 | Very low | 37.3 | Very low | 124 Ų | 124 | 147.3 Ų | 147.3 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | trans | -166.2 | 114.5 | 145.6 | -123 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 356 | E | 38.2 | Very low | 37.5 | Very low | 187 Ų | 187 | 140.8 Ų | 140.8 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | trans | -64.9 | 175.5 | 149.4 | -71 | 168.7 | 56.7 | 0 | 0 | 110.1 | ||||
| 357 | S | 35.1 | Very low | 38 | Very low | 100 Ų | 100 | 142 Ų | 142 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | cis | -162.3 | 164.5 | 6.9 | 109.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 358 | S | 36.1 | Very low | 38.2 | Very low | 106 Ų | 106 | 144.4 Ų | 144.4 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | 149.1 | 123.9 | 121.8 | -165.8 | 0 | 0 | 0 | 0 | 114 | |||||
| 359 | D | 47.1 | Very low | 38 | Very low | 147 Ų | 147 | 143.9 Ų | 143.9 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | trans | -73.7 | 163.4 | 164.9 | -53.8 | -81.7 | 0 | 0 | 0 | 112.5 | ||||
| 360 | Q | 41.3 | Very low | 38.4 | Very low | 168 Ų | 168 | 144.1 Ų | 144.1 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | -179.9 | 143.4 | 113.4 | -100.3 | 178.3 | 32.5 | 0 | 0 | 116.4 | |||||
| 361 | H | 35.3 | Very low | 38 | Very low | 151 Ų | 151 | 145.7 Ų | 145.7 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | trans | 54.1 | 113.2 | 153.2 | -70.9 | -73.2 | 0 | 0 | 0 | 122.3 | ||||
| 362 | S | 36.5 | Very low | 38.4 | Very low | 121 Ų | 121 | 147.7 Ų | 147.7 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | -162.7 | 147.6 | 96.1 | -79 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 363 | L | 40.3 | Very low | 38.8 | Very low | 155 Ų | 155 | 141.5 Ų | 141.5 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | trans | -109.2 | 171.9 | -175.7 | -76.3 | 169.7 | 0 | 0 | 0 | 112.2 | ||||
| 364 | L | 38.7 | Very low | 39.6 | Very low | 152 Ų | 152 | 137.1 Ų | 137.1 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | trans | 119.9 | 105.3 | 154.3 | -62.3 | 176.2 | 0 | 0 | 0 | 112.1 | ||||
| 365 | S | 35.7 | Very low | 40.2 | Very low | 102 Ų | 102 | 138.2 Ų | 138.2 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | 78.8 | 140.6 | 76.4 | -65.9 | 0 | 0 | 0 | 0 | 112 | |||||
| 366 | V | 35.7 | Very low | 40.8 | Very low | 127 Ų | 127 | 138.9 Ų | 138.9 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | cis | -157.9 | 172.2 | 0.4 | 117.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 367 | T | 42.4 | Very low | 41.6 | Very low | 126 Ų | 126 | 136 Ų | 136 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | -54.6 | 150.9 | 176.6 | 56 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 368 | S | 37.2 | Very low | 42.1 | Very low | 122 Ų | 122 | 138.1 Ų | 138.1 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | trans | -150.6 | 126.4 | 142.8 | 59.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 369 | V | 47.2 | Very low | 42.6 | Very low | 127 Ų | 127 | 140.7 Ų | 140.7 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | -87 | 138.9 | 163.8 | 175.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 370 | D | 46.7 | Very low | 42.7 | Very low | 166 Ų | 166 | 143.4 Ų | 143.4 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | trans | -157.9 | 158.4 | 147.9 | -115.2 | -45.4 | 0 | 0 | 0 | 112.2 | ||||
| 371 | E | 40.9 | Very low | 43.1 | Very low | 144 Ų | 144 | 144.2 Ų | 144.2 | 67% | 0.673 | 79% | 0.792 | S | S | * | * | trans | -123.2 | 171.9 | -162.1 | -164.1 | 171.3 | 116.2 | 0 | 0 | 110.3 | ||||
| 372 | F | 37.7 | Very low | 43.7 | Very low | 186 Ų | 186 | 145.5 Ų | 145.5 | 82% | 0.816 | 83% | 0.828 | S | S | * | * | trans | 69.9 | 150 | 176.4 | -67.3 | -86.7 | 0 | 0 | 0 | 116.9 | ||||
| 373 | A | 40.7 | Very low | 44.1 | Very low | 84 Ų | 84 | 146.7 Ų | 146.7 | 69% | 0.694 | 83% | 0.827 | S | S | * | * | cis | -148.3 | 174.7 | -1.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 374 | D | 47 | Very low | 44.3 | Very low | 145 Ų | 145 | 146.3 Ų | 146.3 | 78% | 0.775 | 83% | 0.828 | S | S | * | * | trans | -50.2 | 153.5 | 167.3 | -55.7 | -99.6 | 0 | 0 | 0 | 115 | ||||
| 375 | D | 46.8 | Very low | 44.6 | Very low | 162 Ų | 162 | 145.9 Ų | 145.9 | 87% | 0.866 | 83% | 0.83 | S | S | * | * | -161.5 | 141.2 | 123.2 | -118.4 | -32.3 | 0 | 0 | 0 | 113.9 | |||||
| 376 | I | 50.8 | Low | 45.1 | Very low | 139 Ų | 139 | 148.5 Ų | 148.5 | 71% | 0.713 | 84% | 0.836 | S | S | * | * | trans | -108.6 | 142.8 | 175.3 | -67.5 | 164.7 | 0 | 0 | 0 | 108.2 | ||||
| 377 | P | 55.3 | Low | 45.7 | Very low | 126 Ų | 126 | 149.9 Ų | 149.9 | 82% | 0.818 | 84% | 0.841 | S | S | * | * | trans | -122.5 | 132.6 | 146.6 | 7 | 13.9 | 0 | 0 | 0 | 113.2 | ||||
| 378 | L | 44.3 | Very low | 45.9 | Very low | 145 Ų | 145 | 151.5 Ų | 151.5 | 76% | 0.759 | 85% | 0.845 | S | S | * | * | trans | -78.7 | 153.5 | 169.5 | -75.4 | 162.1 | 0 | 0 | 0 | 112 | ||||
| 379 | L | 47 | Very low | 46.6 | Very low | 159 Ų | 159 | 153.6 Ų | 153.6 | 83% | 0.832 | 85% | 0.845 | S | S | * | * | trans | 43.9 | 116.4 | 143.1 | -68.4 | 162.6 | 0 | 0 | 0 | 119.2 | ||||
| 380 | K | 49.3 | Very low | 46.5 | Very low | 204 Ų | 204 | 155.6 Ų | 155.6 | 89% | 0.887 | 85% | 0.85 | S | S | * | * | trans | -130.4 | 128.5 | 147.6 | -166.6 | 70.1 | -179.9 | 177.7 | 0 | 109.8 | ||||
| 381 | E | 49.8 | Very low | 46.5 | Very low | 186 Ų | 186 | 154.8 Ų | 154.8 | 87% | 0.869 | 85% | 0.847 | S | S | * | * | trans | -69.4 | 148.3 | 176.6 | -56.8 | -179.5 | 135 | 0 | 0 | 112.5 | ||||
| 382 | A | 48.3 | Very low | 47 | Very low | 177 Ų | 177 | 155.7 Ų | 155.7 | 100% | 1.463 | 86% | 0.863 | S | S | * | * | trans | -157.9 | 0 | 151.8 | 0 | 0 | 0 | 0 | 0 | 109 |
Retrieved 382 of 382 residues in 194.3 ms
(Link to these results)