| 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 | 40 | Very low | 39.6 | Very low | 256 Ų | 256 | 145.9 Ų | 145.9 | 100% | 1.261 | 90% | 0.895 | S | S | * | * | 0 | 124 | 0 | -86.5 | 172.5 | 139.7 | 0 | 0 | 108.1 | |||||
| 2 | G | 41.2 | Very low | 40.1 | Very low | 85 Ų | 85 | 153.9 Ų | 153.9 | 88% | 0.876 | 90% | 0.896 | S | S | * | * | trans | 146.8 | 67.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 3 | T | 40.3 | Very low | 40.8 | Very low | 131 Ų | 131 | 152.1 Ų | 152.1 | 80% | 0.804 | 89% | 0.892 | S | S | * | * | trans | -103.7 | 133.5 | 165.8 | 47.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 4 | R | 41.2 | Very low | 41.2 | Very low | 253 Ų | 253 | 154 Ų | 154 | 96% | 0.955 | 89% | 0.888 | S | S | * | * | 165.2 | 138 | 127.8 | -93.7 | 175 | 173 | 174.2 | -1.4 | 112.1 | |||||
| 5 | G | 38.1 | Very low | 41.9 | Very low | 82 Ų | 82 | 148.8 Ų | 148.8 | 85% | 0.845 | 88% | 0.881 | S | S | * | * | trans | 157.8 | 81.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 6 | L | 44.8 | Very low | 42.6 | Very low | 169 Ų | 169 | 154 Ų | 154 | 89% | 0.885 | 88% | 0.881 | S | S | * | * | trans | -89.7 | 165.4 | 173.3 | -80.6 | 168 | 0 | 0 | 0 | 111.7 | ||||
| 7 | Q | 39.4 | Very low | 42.8 | Very low | 199 Ų | 199 | 149.2 Ų | 149.2 | 93% | 0.93 | 87% | 0.873 | S | S | * | * | trans | 87 | 125.2 | 158.4 | -126.7 | 132.4 | 48.8 | 0 | 0 | 115.8 | ||||
| 8 | G | 34.6 | Very low | 43.1 | Very low | 69 Ų | 69 | 148 Ų | 148 | 71% | 0.711 | 87% | 0.872 | S | S | * | * | cis | 154.6 | 139.6 | -0.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 9 | Q | 39 | Very low | 43.3 | Very low | 203 Ų | 203 | 148.1 Ų | 148.1 | 95% | 0.949 | 87% | 0.868 | S | S | * | * | trans | -174.3 | 131.9 | 146 | -119.9 | 177.9 | 7.7 | 0 | 0 | 111.4 | ||||
| 10 | G | 39.8 | Very low | 43.5 | Very low | 84 Ų | 84 | 148.7 Ų | 148.7 | 87% | 0.866 | 87% | 0.866 | S | S | * | * | trans | -75.7 | 148.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 11 | G | 37.8 | Very low | 43.6 | Very low | 74 Ų | 74 | 149.6 Ų | 149.6 | 76% | 0.763 | 87% | 0.867 | S | S | * | * | trans | -143.3 | 117 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 12 | R | 45.7 | Very low | 44.1 | Very low | 242 Ų | 242 | 141.2 Ų | 141.2 | 91% | 0.913 | 84% | 0.838 | S | S | * | * | trans | -53 | 142.9 | 177.5 | -73.1 | 168 | 165.8 | 168.5 | -5.3 | 112.1 | Q14 | R12-Q14 PolarHBondContact O-N 3.44Š| ||
| 13 | P | 48 | Very low | 44.5 | Very low | 130 Ų | 130 | 142.2 Ų | 142.2 | 84% | 0.844 | 83% | 0.827 | S | S | * | * | trans | -74 | 121.3 | 159 | 28.9 | -28.6 | 0 | 0 | 0 | 109.3 | G15 | P13-G15 PolarHBondContact O-N 3.49Š| ||
| 14 | Q | 47.1 | Very low | 45 | Very low | 179 Ų | 179 | 139.2 Ų | 139.2 | 84% | 0.836 | 82% | 0.816 | S | S | * | * | trans | -70.9 | 93 | 177.3 | -134.4 | 162 | 13.5 | 0 | 0 | 108.9 | R12 R16 | R12-Q14 PolarHBondContact O-N 3.44Å; Q14-R16 PolarHBondContact O-N 3.32Å; Q14-R16 VanDerWaalsContact O-N 3.08Å | ||
| 15 | G | 51.3 | Low | 45.2 | Very low | 76 Ų | 76 | 129.5 Ų | 129.5 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | trans | -68.8 | 96.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | P13 | P13-G15 PolarHBondContact O-N 3.49Š| ||
| 16 | R | 54.1 | Low | 45.7 | Very low | 232 Ų | 232 | 128.5 Ų | 128.5 | 88% | 0.875 | 78% | 0.778 | S | S | * | * | trans | -145.4 | 86.7 | 167.5 | -77.5 | -171.4 | 165.3 | 169 | -5.7 | 109.2 | Q14 | Q14-R16 PolarHBondContact O-N 3.32Å; Q14-R16 VanDerWaalsContact O-N 3.08Å | ||
| 17 | G | 46 | Very low | 45.9 | Very low | 72 Ų | 72 | 124.8 Ų | 124.8 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -173.6 | 24.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 18 | C | 48 | Very low | 46.6 | Very low | 128 Ų | 128 | 118.9 Ų | 118.9 | 87% | 0.865 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -143.8 | 24.6 | 179.5 | -69 | 0 | 0 | 0 | 0 | 115.2 | ||
| 19 | L | 45.6 | Very low | 47.4 | Very low | 149 Ų | 149 | 120.8 Ų | 120.8 | 78% | 0.78 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -118.1 | 1.2 | -177.5 | -117.6 | 140 | 0 | 0 | 0 | 115.6 | ||
| 20 | L | 47.3 | Very low | 48.2 | Very low | 160 Ų | 160 | 115 Ų | 115 | 84% | 0.838 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -101.6 | -11.5 | 177.5 | -68.3 | 176.6 | 0 | 0 | 0 | 114.8 | ||
| 21 | L | 45.7 | Very low | 49.1 | Very low | 169 Ų | 169 | 115.4 Ų | 115.4 | 89% | 0.885 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -85.2 | -12.9 | 176.8 | -120.6 | 85.6 | 0 | 0 | 0 | 114.1 | ||
| 22 | A | 50.5 | Low | 50 | Low | 79 Ų | 79 | 117.4 Ų | 117.4 | 65% | 0.653 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -88.6 | -14.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 23 | V | 50.5 | Low | 50.6 | Low | 106 Ų | 106 | 111.3 Ų | 111.3 | 64% | 0.642 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -99.3 | -16.3 | -176 | -179.7 | 0 | 0 | 0 | 0 | 113.2 | ||
| 24 | A | 50.2 | Low | 51.1 | Low | 69 Ų | 69 | 110.2 Ų | 110.2 | 57% | 0.57 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -89 | -11.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 25 | G | 44.9 | Very low | 51.6 | Low | 48 Ų | 48 | 104.2 Ų | 104.2 | 50% | 0.495 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -87.2 | -26.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | L29 | G25-L29 PolarHBondContact O-N 3.03Å |
| 26 | A | 48.7 | Very low | 51.9 | Low | 61 Ų | 61 | 104.4 Ų | 104.4 | 50% | 0.504 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -78.4 | -34.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V30 | A26-V30 WeakPolarHBondContact O-CB 3.11Å; A26-V30 WeakPolarHBondContact O-CG2 3.26Å; A26-V30 PolarHBondContact O-N 3.34Å |
| 27 | T | 50.6 | Low | 52.2 | Low | 92 Ų | 92 | 96.2 Ų | 96.2 | 56% | 0.564 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -73.3 | -33.4 | 179 | 52.7 | 0 | 0 | 0 | 0 | 112.4 | T31 | T27-T31 PolarHBondContact O-N 2.84Å; T27-T31 VanDerWaalsContact O-N 3.11Å; T27-T31 PolarHBondContact O-OG1 2.81Å |
| 28 | S | 53 | Low | 53 | Low | 75 Ų | 75 | 98.1 Ų | 98.1 | 52% | 0.524 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -73 | -38.2 | 178.4 | -178.7 | 0 | 0 | 0 | 0 | 112.7 | T31 L32 | S28-T31 WeakPolarHBondContact CA-OG1 3.34Å; S28-T31 PolarHBondContact O-OG1 3.41Å; S28-L32 WeakPolarHBondContact O-CB 3.34Å; S28-L32 PolarHBondContact O-N 2.88Å; S28-L32 VanDerWaalsContact O-N 3.12Å |
| 29 | L | 51.5 | Low | 53.8 | Low | 108 Ų | 108 | 96.1 Ų | 96.1 | 57% | 0.565 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -69.3 | -40 | 176.1 | -161.9 | 82.2 | 0 | 0 | 0 | 111.4 | G25 L32 L33 | G25-L29 PolarHBondContact O-N 3.03Å; L29-L32 PolarHBondContact O-N 2.74Å; L29-L33 HydrophobicContact CD2-CD1 4.21Å; L29-L33 HydrophobicContact CG-CD1 4.04Å; L29-L33 WeakPolarHBondContact O-CB 3.06Å; L29-L33 PolarHBondContact O-N 3.45Å |
| 30 | V | 56.1 | Low | 54.9 | Low | 83 Ų | 83 | 92.7 Ų | 92.7 | 50% | 0.503 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.6 | -37.7 | 178.9 | 171.3 | 0 | 0 | 0 | 0 | 112 | A26 L34 | A26-V30 WeakPolarHBondContact O-CB 3.11Å; A26-V30 WeakPolarHBondContact O-CG2 3.26Å; A26-V30 PolarHBondContact O-N 3.34Å; V30-L34 HydrophobicContact CG1-CD1 4.13Å; V30-L34 WeakPolarHBondContact O-CG 3.42Å; V30-L34 PolarHBondContact O-N 2.95Å |
| 31 | T | 58.9 | Low | 55.6 | Low | 91 Ų | 91 | 90.8 Ų | 90.8 | 56% | 0.558 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -69.4 | -39.6 | 174.1 | 33.7 | 0 | 0 | 0 | 0 | 112.5 | T27 S28 L34 A35 | T27-T31 PolarHBondContact O-N 2.84Å; T27-T31 VanDerWaalsContact O-N 3.11Å; T27-T31 PolarHBondContact O-OG1 2.81Å; S28-T31 WeakPolarHBondContact CA-OG1 3.34Å; S28-T31 PolarHBondContact O-OG1 3.41Å; T31-L34 PolarHBondContact O-N 2.8Å; T31-A35 WeakPolarHBondContact O-CB 3.44Å; T31-A35 PolarHBondContact O-N 2.93Å |
| 32 | L | 56.2 | Low | 56.6 | Low | 116 Ų | 116 | 84.9 Ų | 84.9 | 61% | 0.607 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.1 | -41.8 | 175.5 | -163.9 | 76.5 | 0 | 0 | 0 | 112 | S28 L29 L34 V36 | S28-L32 WeakPolarHBondContact O-CB 3.34Å; S28-L32 PolarHBondContact O-N 2.88Å; S28-L32 VanDerWaalsContact O-N 3.12Å; L29-L32 PolarHBondContact O-N 2.74Å; L32-L34 VanDerWaalsContact C-N 3.3Å; L32-L34 PolarHBondContact O-N 2.88Å; L32-V36 VanDerWaalsContact O-CG2 3.31Å; L32-V36 WeakPolarHBondContact O-CG2 3.43Å; L32-V36 PolarHBondContact O-N 2.99Å |
| 33 | L | 58.9 | Low | 57.4 | Low | 115 Ų | 115 | 85.6 Ų | 85.6 | 60% | 0.602 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.3 | -28.2 | 177.8 | -96.1 | 153.6 | 0 | 0 | 0 | 113.7 | L29 P37 | L29-L33 HydrophobicContact CD2-CD1 4.21Å; L29-L33 HydrophobicContact CG-CD1 4.04Å; L29-L33 WeakPolarHBondContact O-CB 3.06Å; L29-L33 PolarHBondContact O-N 3.45Å; L33-P37 WeakPolarHBondContact O-CD 3.21Å; L33-P37 WeakPolarHBondContact O-CG 3.27Å |
| 34 | L | 58.1 | Low | 58.1 | Low | 106 Ų | 106 | 86.1 Ų | 86.1 | 56% | 0.555 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -92.6 | -33.8 | 177.6 | -69.3 | 173.9 | 0 | 0 | 0 | 113 | V30 T31 L32 P37 I38 | V30-L34 HydrophobicContact CG1-CD1 4.13Å; V30-L34 WeakPolarHBondContact O-CG 3.42Å; V30-L34 PolarHBondContact O-N 2.95Å; T31-L34 PolarHBondContact O-N 2.8Å; L32-L34 VanDerWaalsContact C-N 3.3Å; L32-L34 PolarHBondContact O-N 2.88Å; L34-P37 WeakPolarHBondContact O-CD 3.32Å; L34-P37 WeakPolarHBondContact O-CG 3.43Å; L34-I38 WeakPolarHBondContact O-CD1 3.3Å; L34-I38 VanDerWaalsContact O-CG1 3.23Å; L34-I38 WeakPolarHBondContact O-CG1 3.49Å; L34-I38 PolarHBondContact O-N 3.31Å |
| 35 | A | 57.2 | Low | 58.8 | Low | 53 Ų | 53 | 86.8 Ų | 86.8 | 44% | 0.438 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -71.8 | -36.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | T31 T39 | T31-A35 WeakPolarHBondContact O-CB 3.44Å; T31-A35 PolarHBondContact O-N 2.93Å; A35-T39 PolarHBondContact O-N 2.93Å; A35-T39 VanDerWaalsContact O-N 3.11Å; A35-T39 PolarHBondContact O-OG1 3.22Å |
| 36 | V | 58.5 | Low | 59.7 | Low | 80 Ų | 80 | 91.4 Ų | 91.4 | 49% | 0.485 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66 | -48.9 | 179.3 | 177.6 | 0 | 0 | 0 | 0 | 112.6 | L32 I38 T39 V40 | L32-V36 VanDerWaalsContact O-CG2 3.31Å; L32-V36 WeakPolarHBondContact O-CG2 3.43Å; L32-V36 PolarHBondContact O-N 2.99Å; V36-I38 PolarHBondContact O-N 3.06Å; V36-T39 PolarHBondContact O-N 3.13Å; V36-T39 PolarHBondContact O-OG1 2.83Å; V36-V40 VanDerWaalsContact O-CG2 3.31Å; V36-V40 WeakPolarHBondContact O-CG2 3.23Å; V36-V40 PolarHBondContact O-N 2.59Å; V36-V40 VanDerWaalsContact O-N 3.08Å |
| 37 | P | 59.9 | Low | 60 | Low | 61 Ų | 61 | 92.3 Ų | 92.3 | 40% | 0.396 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.7 | -32.5 | 178.7 | 21.6 | -30.6 | 0 | 0 | 0 | 113.2 | L33 L34 L41 | L33-P37 WeakPolarHBondContact O-CD 3.21Å; L33-P37 WeakPolarHBondContact O-CG 3.27Å; L34-P37 WeakPolarHBondContact O-CD 3.32Å; L34-P37 WeakPolarHBondContact O-CG 3.43Å; P37-L41 WeakPolarHBondContact O-CB 3.33Å; P37-L41 VanDerWaalsContact O-CG 3.3Å; P37-L41 WeakPolarHBondContact O-CG 3.49Å; P37-L41 PolarHBondContact O-N 3.48Å |
| 38 | I | 63.1 | Low | 59.9 | Low | 111 Ų | 111 | 93.5 Ų | 93.5 | 57% | 0.569 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -69.5 | -40.9 | 178 | -64 | 169.7 | 0 | 0 | 0 | 111.1 | L34 V36 L41 A42 | L34-I38 WeakPolarHBondContact O-CD1 3.3Å; L34-I38 VanDerWaalsContact O-CG1 3.23Å; L34-I38 WeakPolarHBondContact O-CG1 3.49Å; L34-I38 PolarHBondContact O-N 3.31Å; V36-I38 PolarHBondContact O-N 3.06Å; I38-L41 PolarHBondContact O-N 3.27Å; I38-A42 WeakPolarHBondContact O-CB 3.12Å; I38-A42 PolarHBondContact O-N 2.82Å |
| 39 | T | 64.8 | Low | 59.8 | Low | 86 Ų | 86 | 97.1 Ų | 97.1 | 53% | 0.528 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -68.3 | -38.2 | 176.7 | 40.9 | 0 | 0 | 0 | 0 | 112.3 | A35 V36 A42 V43 | A35-T39 PolarHBondContact O-N 2.93Å; A35-T39 VanDerWaalsContact O-N 3.11Å; A35-T39 PolarHBondContact O-OG1 3.22Å; V36-T39 PolarHBondContact O-N 3.13Å; V36-T39 PolarHBondContact O-OG1 2.83Å; T39-A42 PolarHBondContact O-N 2.8Å; T39-V43 VanDerWaalsContact O-CG2 3.3Å; T39-V43 WeakPolarHBondContact O-CG2 3.49Å; T39-V43 PolarHBondContact O-N 2.81Å |
| 40 | V | 67.7 | Low | 59.7 | Low | 78 Ų | 78 | 99.5 Ų | 99.5 | 47% | 0.473 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.8 | -43.6 | 173.1 | 172.8 | 0 | 0 | 0 | 0 | 111.4 | V36 V43 L44 | V36-V40 VanDerWaalsContact O-CG2 3.31Å; V36-V40 WeakPolarHBondContact O-CG2 3.23Å; V36-V40 PolarHBondContact O-N 2.59Å; V36-V40 VanDerWaalsContact O-N 3.08Å; V40-V43 PolarHBondContact O-N 2.76Å; V40-L44 HydrophobicContact CG1-CD1 3.93Å; V40-L44 HydrophobicContact CG1-CG 4.45Å; V40-L44 WeakPolarHBondContact O-CB 3.25Å; V40-L44 VanDerWaalsContact O-CG 3.3Å; V40-L44 WeakPolarHBondContact O-CG 3.47Å; V40-L44 PolarHBondContact O-N 3.08Å |
| 41 | L | 63.6 | Low | 59.1 | Low | 119 Ų | 119 | 103.2 Ų | 103.2 | 62% | 0.623 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -64 | -40.1 | 175.9 | -76.9 | 168.1 | 0 | 0 | 0 | 112.5 | P37 I38 L44 A45 | P37-L41 WeakPolarHBondContact O-CB 3.33Å; P37-L41 VanDerWaalsContact O-CG 3.3Å; P37-L41 WeakPolarHBondContact O-CG 3.49Å; P37-L41 PolarHBondContact O-N 3.48Å; I38-L41 PolarHBondContact O-N 3.27Å; L41-L44 PolarHBondContact O-N 3.25Å; L41-A45 VanDerWaalsContact O-CB 3.31Å; L41-A45 WeakPolarHBondContact O-CB 3.26Å; L41-A45 PolarHBondContact O-N 3.34Å |
| 42 | A | 66 | Low | 58.5 | Low | 46 Ų | 46 | 102.5 Ų | 102.5 | 38% | 0.38 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -66.1 | -41.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I38 T39 A45 L46 | I38-A42 WeakPolarHBondContact O-CB 3.12Å; I38-A42 PolarHBondContact O-N 2.82Å; T39-A42 PolarHBondContact O-N 2.8Å; A42-A45 PolarHBondContact O-N 2.96Å; A42-L46 WeakPolarHBondContact O-CB 3.43Å; A42-L46 VanDerWaalsContact O-CG 3.24Å; A42-L46 WeakPolarHBondContact O-CG 3.25Å; A42-L46 PolarHBondContact O-N 2.68Å |
| 43 | V | 66.3 | Low | 57.4 | Low | 93 Ų | 93 | 108.5 Ų | 108.5 | 56% | 0.564 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66.4 | -42.1 | 176.1 | 171.9 | 0 | 0 | 0 | 0 | 111 | T39 V40 A45 L46 V47 | T39-V43 VanDerWaalsContact O-CG2 3.3Å; T39-V43 WeakPolarHBondContact O-CG2 3.49Å; T39-V43 PolarHBondContact O-N 2.81Å; V40-V43 PolarHBondContact O-N 2.76Å; V43-A45 VanDerWaalsContact C-N 3.3Å; V43-A45 PolarHBondContact O-N 3.11Å; V43-L46 PolarHBondContact O-N 2.92Å; V43-V47 WeakPolarHBondContact O-CG2 3.37Å; V43-V47 PolarHBondContact O-N 2.81Å; V43-V47 VanDerWaalsContact O-N 3.1Å |
| 44 | L | 66.6 | Low | 56.3 | Low | 117 Ų | 117 | 114 Ų | 114 | 61% | 0.613 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -66.3 | -30.8 | 176.4 | -71 | 173.3 | 0 | 0 | 0 | 113 | V40 L41 | V40-L44 HydrophobicContact CG1-CD1 3.93Å; V40-L44 HydrophobicContact CG1-CG 4.45Å; V40-L44 WeakPolarHBondContact O-CB 3.25Å; V40-L44 VanDerWaalsContact O-CG 3.3Å; V40-L44 WeakPolarHBondContact O-CG 3.47Å; V40-L44 PolarHBondContact O-N 3.08Å; L41-L44 PolarHBondContact O-N 3.25Å |
| 45 | A | 64.5 | Low | 55.6 | Low | 84 Ų | 84 | 115.4 Ų | 115.4 | 69% | 0.694 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -79.6 | -25.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L41 A42 V43 | L41-A45 VanDerWaalsContact O-CB 3.31Å; L41-A45 WeakPolarHBondContact O-CB 3.26Å; L41-A45 PolarHBondContact O-N 3.34Å; A42-A45 PolarHBondContact O-N 2.96Å; V43-A45 VanDerWaalsContact C-N 3.3Å; V43-A45 PolarHBondContact O-N 3.11Å |
| 46 | L | 63.8 | Low | 54.6 | Low | 145 Ų | 145 | 121.3 Ų | 121.3 | 76% | 0.759 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -91.3 | -12 | 179 | -69.8 | 171.1 | 0 | 0 | 0 | 113.5 | A42 V43 P48 | A42-L46 WeakPolarHBondContact O-CB 3.43Å; A42-L46 VanDerWaalsContact O-CG 3.24Å; A42-L46 WeakPolarHBondContact O-CG 3.25Å; A42-L46 PolarHBondContact O-N 2.68Å; V43-L46 PolarHBondContact O-N 2.92Å; L46-P48 WeakPolarHBondContact O-CD 3.5Å |
| 47 | V | 53.7 | Low | 53.6 | Low | 79 Ų | 79 | 126.3 Ų | 126.3 | 48% | 0.479 | 67% | 0.674 | S | S | . | * | S | Bend | trans | -78.8 | 117.1 | 168.9 | 170.6 | 0 | 0 | 0 | 0 | 108.4 | V43 Q49 | V43-V47 WeakPolarHBondContact O-CG2 3.37Å; V43-V47 PolarHBondContact O-N 2.81Å; V43-V47 VanDerWaalsContact O-N 3.1Å; V47-Q49 PolarHBondContact O-N 2.71Å |
| 48 | P | 50.1 | Low | 52.5 | Low | 118 Ų | 118 | 130.8 Ų | 130.8 | 77% | 0.766 | 69% | 0.693 | S | S | * | * | trans | -60.7 | 113 | 172.7 | -17.8 | 31.3 | 0 | 0 | 0 | 108.7 | L46 D50 | L46-P48 WeakPolarHBondContact O-CD 3.5Å; P48-D50 PolarHBondContact O-N 3.41Å | ||
| 49 | Q | 51 | Low | 51.3 | Low | 151 Ų | 151 | 130.7 Ų | 130.7 | 71% | 0.706 | 70% | 0.703 | S | S | * | * | trans | -66.2 | 98.3 | 165.6 | -81.8 | -80.4 | -56.1 | 0 | 0 | 107.4 | V47 Q51 | V47-Q49 PolarHBondContact O-N 2.71Å; Q49-Q51 HydrophobicContact CB-CG 4.46Å; Q49-Q51 PolarHBondContact O-N 3.3Å | ||
| 50 | D | 49 | Very low | 49.8 | Very low | 158 Ų | 158 | 130 Ų | 130 | 85% | 0.845 | 71% | 0.713 | S | S | * | * | trans | -70 | 76.4 | 169.3 | -166.9 | 29.4 | 0 | 0 | 0 | 108.6 | P48 G52 | P48-D50 PolarHBondContact O-N 3.41Å; D50-G52 PolarHBondContact O-N 3.38Å | ||
| 51 | Q | 42.4 | Very low | 48.3 | Very low | 160 Ų | 160 | 132.5 Ų | 132.5 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | trans | -75.9 | 113.2 | 167.7 | -70.5 | -154.8 | 5.1 | 0 | 0 | 108.3 | Q49 R53 | Q49-Q51 HydrophobicContact CB-CG 4.46Å; Q49-Q51 PolarHBondContact O-N 3.3Å; Q51-R53 PolarHBondContact O-N 2.89Å | ||
| 52 | G | 47.7 | Very low | 46.8 | Very low | 76 Ų | 76 | 131.2 Ų | 131.2 | 78% | 0.784 | 74% | 0.74 | S | S | * | * | trans | -44 | 120.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D50 R54 | D50-G52 PolarHBondContact O-N 3.38Å; G52-R54 PolarHBondContact O-N 2.86Å | ||
| 53 | R | 32.8 | Very low | 45.2 | Very low | 243 Ų | 243 | 133.5 Ų | 133.5 | 92% | 0.917 | 76% | 0.759 | S | S | * | * | trans | -91.1 | 105.1 | 168.7 | -165.5 | 173.1 | -171.7 | 177.9 | 1.6 | 110.1 | Q51 | Q51-R53 PolarHBondContact O-N 2.89Š| ||
| 54 | R | 36.3 | Very low | 43.8 | Very low | 231 Ų | 231 | 138.3 Ų | 138.3 | 87% | 0.872 | 78% | 0.775 | S | S | * | * | trans | -20 | 132.3 | 160 | -139.4 | 175.9 | -167.3 | -151.6 | 4.1 | 115.2 | G52 E56 | G52-R54 PolarHBondContact O-N 2.86Å; R54-E56 PolarHBondContact O-N 3.49Å | ||
| 55 | V | 43.3 | Very low | 42.2 | Very low | 134 Ų | 134 | 137.9 Ų | 137.9 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | trans | -42.2 | 121.2 | 162.4 | 174.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 56 | E | 34.6 | Very low | 41 | Very low | 177 Ų | 177 | 142 Ų | 142 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | trans | -123 | 117.7 | 152.2 | -91.6 | -176.2 | 166.2 | 0 | 0 | 109.6 | R54 | R54-E56 PolarHBondContact O-N 3.49Š| ||
| 57 | K | 37.9 | Very low | 39.6 | Very low | 185 Ų | 185 | 144.9 Ų | 144.9 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -75 | 118.3 | 174.4 | 177.5 | -177.4 | -175.4 | 177.5 | 0 | 108.2 | ||||
| 58 | I | 37.1 | Very low | 38.6 | Very low | 156 Ų | 156 | 150.2 Ų | 150.2 | 80% | 0.8 | 81% | 0.811 | S | S | * | * | trans | -126.2 | 114.1 | 162.4 | -58.7 | 179.6 | 0 | 0 | 0 | 108.3 | ||||
| 59 | S | 39.3 | Very low | 38 | Very low | 109 Ų | 109 | 152 Ų | 152 | 76% | 0.762 | 81% | 0.814 | S | S | * | * | trans | -68.7 | 145.7 | 166.2 | -76.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 60 | G | 32 | Very low | 37.1 | Very low | 72 Ų | 72 | 149.8 Ų | 149.8 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | trans | 143.6 | 94.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 61 | S | 36.4 | Very low | 36.6 | Very low | 129 Ų | 129 | 149.4 Ų | 149.4 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | 61.3 | 91 | 74.7 | -172.7 | 0 | 0 | 0 | 0 | 115 | |||||
| 62 | A | 31.3 | Very low | 36.1 | Very low | 93 Ų | 93 | 149.7 Ų | 149.7 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | trans | 179.4 | 106.1 | 144.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 63 | A | 34.2 | Very low | 35.6 | Very low | 94 Ų | 94 | 154.1 Ų | 154.1 | 78% | 0.777 | 81% | 0.809 | S | S | * | * | 73.3 | 116.4 | 81.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 64 | Q | 35.6 | Very low | 35.8 | Very low | 194 Ų | 194 | 147.8 Ų | 147.8 | 91% | 0.907 | 80% | 0.799 | S | S | * | * | trans | 65.1 | 116.5 | 150.3 | -88.9 | 177.2 | -46.1 | 0 | 0 | 121.5 | ||||
| 65 | A | 34.2 | Very low | 35.7 | Very low | 107 Ų | 107 | 140.8 Ų | 140.8 | 88% | 0.884 | 79% | 0.786 | S | S | * | * | -157.6 | 109 | 123.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 66 | Q | 38.4 | Very low | 35.1 | Very low | 171 Ų | 171 | 140.4 Ų | 140.4 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | trans | -74.5 | 132.4 | 169.3 | -174 | 84.9 | -13.5 | 0 | 0 | 109.4 | ||||
| 67 | K | 34.3 | Very low | 35 | Very low | 205 Ų | 205 | 139.8 Ų | 139.8 | 89% | 0.891 | 79% | 0.789 | S | S | * | * | trans | -152.4 | 109.5 | 144.7 | -149.5 | -177.6 | 179.9 | -162.9 | 0 | 111.8 | ||||
| 68 | R | 32.6 | Very low | 34.8 | Very low | 191 Ų | 191 | 138.7 Ų | 138.7 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | trans | -54.3 | 142.1 | 160.3 | -86.7 | 175.2 | 156.5 | -101.9 | 3.1 | 110.7 | D70 | R68-D70 IonicContact NH1-OD1 3.3Š| ||
| 69 | L | 37.3 | Very low | 34.6 | Very low | 157 Ų | 157 | 137.1 Ų | 137.1 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -163.4 | 98.1 | 132.7 | -156.5 | 67.2 | 0 | 0 | 0 | 111.4 | ||||
| 70 | D | 32.8 | Very low | 34.4 | Very low | 104 Ų | 104 | 137 Ų | 137 | 56% | 0.556 | 79% | 0.79 | S | S | * | * | trans | 40.5 | 119.4 | 131.8 | -48.8 | -22.3 | 0 | 0 | 0 | 122.1 | R68 | R68-D70 IonicContact NH1-OD1 3.3Š| ||
| 71 | D | 38.8 | Very low | 34.9 | Very low | 150 Ų | 150 | 139.7 Ų | 139.7 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | 32.2 | 110.4 | 128.4 | -63.2 | -30.6 | 0 | 0 | 0 | 120.4 | |||||
| 72 | N | 31.4 | Very low | 34.6 | Very low | 166 Ų | 166 | 145.1 Ų | 145.1 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | trans | -161.4 | 118.9 | 131.2 | -120.5 | -43.4 | 0 | 0 | 0 | 113.1 | ||||
| 73 | K | 37.6 | Very low | 34.6 | Very low | 168 Ų | 168 | 146 Ų | 146 | 73% | 0.73 | 80% | 0.796 | S | S | * | * | trans | -97.7 | 139 | 171.2 | 174.5 | -173.8 | -179.4 | -171.8 | 0 | 108.9 | S75 | K73-S75 VanDerWaalsContact CE-OG 3.3Å; K73-S75 WeakPolarHBondContact CE-OG 3.5Å | ||
| 74 | P | 36.7 | Very low | 34.5 | Very low | 111 Ų | 111 | 150 Ų | 150 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | trans | -115.7 | 126.1 | 145.2 | 10.5 | 9.1 | 0 | 0 | 0 | 111 | ||||
| 75 | S | 34.1 | Very low | 34.5 | Very low | 83 Ų | 83 | 146.3 Ų | 146.3 | 58% | 0.58 | 80% | 0.799 | S | S | * | * | trans | -67 | 127.4 | 161 | -60.8 | 0 | 0 | 0 | 0 | 109.1 | K73 | K73-S75 VanDerWaalsContact CE-OG 3.3Å; K73-S75 WeakPolarHBondContact CE-OG 3.5Å | ||
| 76 | C | 30.8 | Very low | 34.2 | Very low | 126 Ų | 126 | 145 Ų | 145 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | trans | -113.2 | 111.4 | 164.4 | -71.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 77 | L | 31.8 | Very low | 34.2 | Very low | 164 Ų | 164 | 143.2 Ų | 143.2 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 140.4 | 180 | -69.9 | 159.2 | 0 | 0 | 0 | 110.5 | ||
| 78 | L | 34 | Very low | 34.6 | Very low | 162 Ų | 162 | 139.6 Ų | 139.6 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 145.3 | 164.1 | -67.2 | 159.5 | 0 | 0 | 0 | 111 | ||
| 79 | P | 33.2 | Very low | 34.8 | Very low | 123 Ų | 123 | 137.2 Ų | 137.2 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 117.1 | 153 | 24.7 | -12.4 | 0 | 0 | 0 | 110.7 | ||
| 80 | S | 34.6 | Very low | 35.2 | Very low | 106 Ų | 106 | 135.7 Ų | 135.7 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 140.5 | 158.3 | -60.1 | 0 | 0 | 0 | 0 | 109.8 | ||
| 81 | P | 43.7 | Very low | 35 | Very low | 130 Ų | 130 | 133.8 Ų | 133.8 | 84% | 0.844 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 133.6 | 172.5 | 28.1 | -30.1 | 0 | 0 | 0 | 111.5 | ||
| 82 | R | 30 | Very low | 34.7 | Very low | 243 Ų | 243 | 134.6 Ų | 134.6 | 92% | 0.917 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -78 | 140.2 | 169.6 | -83.7 | -176 | 180 | 176.1 | 0.3 | 111.3 | ||
| 83 | S | 30.2 | Very low | 34.6 | Very low | 112 Ų | 112 | 137.4 Ų | 137.4 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | trans | -36.7 | 139.3 | 163.1 | 14.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 84 | L | 33 | Very low | 34.3 | Very low | 177 Ų | 177 | 135.1 Ų | 135.1 | 93% | 0.927 | 80% | 0.804 | S | S | * | * | trans | -126.5 | 118.2 | 144.9 | -89.8 | 165.6 | 0 | 0 | 0 | 108.7 | ||||
| 85 | S | 34.3 | Very low | 34 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -72.7 | 140.6 | 171.7 | 47.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 86 | G | 29.3 | Very low | 34 | Very low | 78 Ų | 78 | 140.8 Ų | 140.8 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -178.9 | 93 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 87 | T | 36.9 | Very low | 34.6 | Very low | 135 Ų | 135 | 140 Ų | 140 | 83% | 0.828 | 81% | 0.814 | S | S | * | * | trans | -131.7 | 147.6 | 160.6 | 5.5 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 88 | P | 43.8 | Very low | 34.7 | Very low | 128 Ų | 128 | 138.2 Ų | 138.2 | 83% | 0.831 | 81% | 0.812 | S | S | * | * | -141.8 | 160.3 | 60.2 | 31 | -8.7 | 0 | 0 | 0 | 117.8 | |||||
| 89 | D | 37.4 | Very low | 34.5 | Very low | 142 Ų | 142 | 135.7 Ų | 135.7 | 76% | 0.759 | 81% | 0.808 | S | S | * | * | trans | -43.9 | 172.4 | 160.1 | -124.3 | -6.1 | 0 | 0 | 0 | 114.3 | ||||
| 90 | P | 44.1 | Very low | 34.5 | Very low | 124 Ų | 124 | 135.7 Ų | 135.7 | 81% | 0.805 | 81% | 0.811 | S | S | * | * | cis | -149.8 | 166.8 | 32.3 | 36.4 | -12.4 | 0 | 0 | 0 | 119.3 | ||||
| 91 | G | 28.5 | Very low | 34.4 | Very low | 64 Ų | 64 | 140 Ų | 140 | 66% | 0.66 | 82% | 0.816 | S | S | * | * | trans | 124 | 132.7 | 154 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 92 | L | 32.3 | Very low | 34.1 | Very low | 167 Ų | 167 | 141.2 Ų | 141.2 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | cis | -153.8 | 138.5 | 16 | -78.4 | 160.9 | 0 | 0 | 0 | 108.5 | ||||
| 93 | R | 30.6 | Very low | 34.7 | Very low | 226 Ų | 226 | 135.7 Ų | 135.7 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | 33.1 | 137.6 | 150.9 | -69.5 | -170.6 | 173.2 | -148.7 | -1.4 | 122.7 | ||||
| 94 | P | 31.5 | Very low | 34.6 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | trans | -82.9 | 139.7 | 166.9 | 34.5 | -30.2 | 0 | 0 | 0 | 111.5 | ||||
| 95 | E | 30.1 | Very low | 34.4 | Very low | 182 Ų | 182 | 131.4 Ų | 131.4 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | trans | -117.8 | 111.5 | 171.5 | -84.1 | -86.6 | 137.5 | 0 | 0 | 109.8 | ||||
| 96 | T | 34.6 | Very low | 34.2 | Very low | 130 Ų | 130 | 130.3 Ų | 130.3 | 80% | 0.798 | 81% | 0.805 | S | S | * | * | trans | -158.5 | 156.5 | 151.5 | 9 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 97 | P | 41.8 | Very low | 34.3 | Very low | 110 Ų | 110 | 131.9 Ų | 131.9 | 71% | 0.714 | 80% | 0.803 | S | S | * | * | cis | -128.4 | -158.7 | -18.2 | 34.8 | -14.5 | 0 | 0 | 0 | 110.2 | ||||
| 98 | P | 35.8 | Very low | 34.1 | Very low | 127 Ų | 127 | 134.7 Ų | 134.7 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | -134.1 | 144.1 | 123.8 | 33.7 | -22.6 | 0 | 0 | 0 | 115.7 | |||||
| 99 | S | 28.8 | Very low | 33.2 | Very low | 108 Ų | 108 | 132.2 Ų | 132.2 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | trans | -52.9 | 145.2 | 161.2 | 60 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 100 | S | 33 | Very low | 33.3 | Very low | 124 Ų | 124 | 131.1 Ų | 131.1 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -118.1 | 138.8 | 151.2 | 86.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 101 | K | 32.6 | Very low | 32.7 | Very low | 196 Ų | 196 | 131.5 Ų | 131.5 | 85% | 0.852 | 81% | 0.805 | S | S | * | * | trans | -80.6 | 145.8 | -169.9 | -77.4 | 168.5 | 165.9 | 174.7 | 0 | 111.9 | ||||
| 102 | N | 36.9 | Very low | 32.8 | Very low | 155 Ų | 155 | 133.2 Ų | 133.2 | 83% | 0.829 | 81% | 0.813 | S | S | * | * | trans | -61.9 | 157.9 | 152.4 | -91.7 | -17.9 | 0 | 0 | 0 | 111.5 | ||||
| 103 | P | 42.8 | Very low | 32.6 | Very low | 127 Ų | 127 | 134 Ų | 134 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | -134.3 | 142.6 | 101.5 | 32.6 | -18.6 | 0 | 0 | 0 | 110.2 | |||||
| 104 | G | 28.4 | Very low | 32.5 | Very low | 66 Ų | 66 | 129 Ų | 129 | 68% | 0.68 | 81% | 0.813 | S | S | * | * | cis | 103.4 | 107.2 | 48.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 105 | S | 28.8 | Very low | 32.6 | Very low | 133 Ų | 133 | 128.6 Ų | 128.6 | 93% | 0.93 | 81% | 0.812 | S | S | * | * | trans | 179.2 | 137 | 136.1 | -81.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 106 | A | 30.4 | Very low | 32.7 | Very low | 94 Ų | 94 | 128.8 Ų | 128.8 | 78% | 0.777 | 81% | 0.813 | S | S | * | * | trans | -85.2 | 164.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 107 | S | 32.1 | Very low | 32.5 | Very low | 111 Ų | 111 | 131.7 Ų | 131.7 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | trans | 174.8 | 102.7 | 143.1 | -71.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 108 | Q | 31.1 | Very low | 31.9 | Very low | 194 Ų | 194 | 130.8 Ų | 130.8 | 91% | 0.907 | 82% | 0.819 | S | S | * | * | 70.6 | 106.1 | 97.2 | -81.7 | -168.9 | -21.4 | 0 | 0 | 116 | |||||
| 109 | G | 26.5 | Very low | 31.8 | Very low | 77 Ų | 77 | 129.5 Ų | 129.5 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | trans | 48.4 | 171.2 | 139 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 110 | P | 37.9 | Very low | 31.8 | Very low | 119 Ų | 119 | 128.7 Ų | 128.7 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | cis | -118.2 | 149.4 | 11.4 | 24.2 | -1.9 | 0 | 0 | 0 | 113.5 | ||||
| 111 | V | 31.7 | Very low | 31.7 | Very low | 131 Ų | 131 | 134.3 Ų | 134.3 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | 42.1 | 104.7 | 99.2 | -174.3 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 112 | A | 31.1 | Very low | 31.6 | Very low | 100 Ų | 100 | 131 Ų | 131 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | trans | -143.9 | 110.6 | 148.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 113 | Q | 28.7 | Very low | 31.4 | Very low | 183 Ų | 183 | 128.1 Ų | 128.1 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | trans | -66.2 | 131.4 | 170.3 | -64.7 | 166.4 | -70.1 | 0 | 0 | 108.2 | ||||
| 114 | S | 29.1 | Very low | 30.9 | Very low | 123 Ų | 123 | 128 Ų | 128 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | -120.7 | 112.6 | 163.2 | 179 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 115 | S | 33.2 | Very low | 31.3 | Very low | 110 Ų | 110 | 132.8 Ų | 132.8 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | trans | -63.4 | 138.5 | -172.5 | -54.9 | 0 | 0 | 0 | 0 | 112.5 | E117 | S115-E117 PolarHBondContact O-N 2.95Š| ||
| 116 | Q | 32.4 | Very low | 31.7 | Very low | 186 Ų | 186 | 131.8 Ų | 131.8 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | trans | -78.1 | 102 | 170.2 | -172.7 | 174.3 | -19.3 | 0 | 0 | 107.8 | A118 | Q116-A118 PolarHBondContact O-N 3.38Š| ||
| 117 | E | 29.1 | Very low | 32.3 | Very low | 192 Ų | 192 | 133.2 Ų | 133.2 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | trans | -81.4 | 102 | 166.7 | -89.5 | -167.4 | 124.1 | 0 | 0 | 109.3 | S115 | S115-E117 PolarHBondContact O-N 2.95Š| ||
| 118 | A | 28.7 | Very low | 32.5 | Very low | 90 Ų | 90 | 132.7 Ų | 132.7 | 74% | 0.744 | 81% | 0.81 | S | S | * | * | trans | -90.1 | 102.5 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | Q116 A120 | Q116-A118 PolarHBondContact O-N 3.38Å; A118-A120 PolarHBondContact O-N 2.8Å | ||
| 119 | S | 34.8 | Very low | 32.8 | Very low | 101 Ų | 101 | 132 Ų | 132 | 71% | 0.706 | 81% | 0.811 | S | S | * | * | trans | -84.5 | 97.5 | 166.4 | 49.2 | 0 | 0 | 0 | 0 | 109.1 | W121 | S119-W121 PolarHBondContact O-N 2.95Š| ||
| 120 | A | 28.3 | Very low | 33.1 | Very low | 91 Ų | 91 | 135.3 Ų | 135.3 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | trans | -69.6 | 118.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | A118 V122 | A118-A120 PolarHBondContact O-N 2.8Å; A120-V122 PolarHBondContact O-N 2.87Å | ||
| 121 | W | 31.5 | Very low | 32.9 | Very low | 242 Ų | 242 | 135.3 Ų | 135.3 | 92% | 0.917 | 81% | 0.814 | S | S | * | * | trans | -85.9 | 104.1 | 163.9 | -75.4 | 89.3 | 0 | 0 | 0 | 108.6 | S119 | S119-W121 PolarHBondContact O-N 2.95Š| ||
| 122 | V | 30.2 | Very low | 33.1 | Very low | 126 Ų | 126 | 134.7 Ų | 134.7 | 76% | 0.764 | 82% | 0.815 | S | S | * | * | trans | -77.1 | 115.8 | 163 | 172 | 0 | 0 | 0 | 0 | 107.1 | A120 | A120-V122 PolarHBondContact O-N 2.87Š| ||
| 123 | A | 33 | Very low | 33.7 | Very low | 95 Ų | 95 | 135.5 Ų | 135.5 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | trans | -126.7 | 112.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 124 | T | 31 | Very low | 33.9 | Very low | 125 Ų | 125 | 134.3 Ų | 134.3 | 77% | 0.767 | 81% | 0.811 | S | S | * | * | trans | -64.5 | 129.3 | -176.6 | -45 | 0 | 0 | 0 | 0 | 112 | ||||
| 125 | L | 38.6 | Very low | 34.6 | Very low | 166 Ų | 166 | 134 Ų | 134 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | trans | -81.7 | 144.6 | 163.4 | -79.4 | 162.3 | 0 | 0 | 0 | 110.4 | ||||
| 126 | P | 36.6 | Very low | 35.2 | Very low | 111 Ų | 111 | 132.2 Ų | 132.2 | 72% | 0.721 | 81% | 0.806 | S | S | * | * | trans | -140.5 | 178 | 140 | 44.1 | -29.6 | 0 | 0 | 0 | 111.4 | ||||
| 127 | P | 43 | Very low | 35.6 | Very low | 125 Ų | 125 | 129.7 Ų | 129.7 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | -109 | 168.4 | -98.8 | 18.8 | 3.9 | 0 | 0 | 0 | 113.1 | |||||
| 128 | A | 36.6 | Very low | 36.2 | Very low | 100 Ų | 100 | 129.3 Ų | 129.3 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | trans | -64 | 135.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 129 | L | 36.1 | Very low | 36.8 | Very low | 179 Ų | 179 | 136.2 Ų | 136.2 | 94% | 0.937 | 81% | 0.808 | S | S | * | * | trans | -145.9 | 138.8 | 153.8 | -97.8 | 168 | 0 | 0 | 0 | 109.8 | ||||
| 130 | D | 33.3 | Very low | 36.8 | Very low | 146 Ų | 146 | 141.9 Ų | 141.9 | 78% | 0.781 | 81% | 0.814 | S | S | * | * | trans | -84 | 147.7 | -168.3 | -169.9 | 10.6 | 0 | 0 | 0 | 112.1 | ||||
| 131 | S | 34.2 | Very low | 37.3 | Very low | 119 Ų | 119 | 143.5 Ų | 143.5 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | trans | 175.4 | 102.8 | 153.6 | -77.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 132 | S | 35.4 | Very low | 37.7 | Very low | 118 Ų | 118 | 140.7 Ų | 140.7 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | 42.7 | 155.2 | 139.2 | -112 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 133 | P | 43.4 | Very low | 38.3 | Very low | 118 Ų | 118 | 137.9 Ų | 137.9 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 145.1 | -153.1 | 37.9 | -33.9 | 0 | 0 | 0 | 114.9 | ||
| 134 | D | 33.4 | Very low | 38.7 | Very low | 157 Ų | 157 | 140.5 Ų | 140.5 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 129.1 | 166.3 | -168.5 | 37.4 | 0 | 0 | 0 | 109.7 | ||
| 135 | P | 43.5 | Very low | 39.3 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 131.6 | -174.1 | 33.8 | -28.4 | 0 | 0 | 0 | 111.5 | ||
| 136 | G | 46.8 | Very low | 39.6 | Very low | 74 Ų | 74 | 141.8 Ų | 141.8 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | trans | 102.7 | 69.6 | 152.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 137 | V | 39.6 | Very low | 40 | Very low | 132 Ų | 132 | 141.9 Ų | 141.9 | 80% | 0.8 | 80% | 0.799 | S | S | * | * | trans | -134.2 | 101.5 | 140.9 | 179.9 | 0 | 0 | 0 | 0 | 107.4 | R139 | V137-R139 PolarHBondContact O-N 3.02Š| ||
| 138 | Q | 42.4 | Very low | 40.1 | Very low | 185 Ų | 185 | 143.5 Ų | 143.5 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | -61.5 | 99.3 | 167.8 | -75 | -162.1 | 43.7 | 0 | 0 | 108.6 | R140 | Q138-R140 VanDerWaalsContact C-N 3.33Å; Q138-R140 PolarHBondContact O-N 3.36Å | ||
| 139 | R | 41.9 | Very low | 41 | Very low | 235 Ų | 235 | 143.8 Ų | 143.8 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | trans | -67.2 | 100.4 | 156.8 | -79.9 | -175 | -162.8 | 172.4 | 6.7 | 106.6 | V137 | V137-R139 PolarHBondContact O-N 3.02Š| ||
| 140 | R | 34.3 | Very low | 42.1 | Very low | 219 Ų | 219 | 139.9 Ų | 139.9 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | trans | -51.1 | 127.3 | 159.8 | -71.4 | -175.9 | 174.3 | -178.5 | -1.6 | 107 | Q138 K142 | Q138-R140 VanDerWaalsContact C-N 3.33Å; Q138-R140 PolarHBondContact O-N 3.36Å; R140-K142 PolarHBondContact O-N 2.81Å | ||
| 141 | P | 38.8 | Very low | 43.8 | Very low | 126 Ų | 126 | 138.6 Ų | 138.6 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -61.9 | 110 | 161.5 | -6.3 | 21 | 0 | 0 | 0 | 104.9 | G143 | P141-G143 PolarHBondContact O-N 2.64Š| ||
| 142 | K | 38.7 | Very low | 46.4 | Very low | 183 Ų | 183 | 138.3 Ų | 138.3 | 80% | 0.796 | 76% | 0.762 | S | S | * | * | trans | -68.1 | 86.5 | 158.9 | -173.6 | 172.5 | 179.8 | -169.4 | 0 | 104 | R140 E144 | R140-K142 PolarHBondContact O-N 2.81Å; K142-E144 PolarHBondContact O-N 2.97Å | ||
| 143 | G | 43.4 | Very low | 49.2 | Very low | 67 Ų | 67 | 136 Ų | 136 | 69% | 0.691 | 74% | 0.74 | S | S | * | * | trans | -61.7 | 84.7 | 161 | 0 | 0 | 0 | 0 | 0 | 105.8 | P141 L145 | P141-G143 PolarHBondContact O-N 2.64Å; G143-L145 PolarHBondContact O-N 2.93Å | ||
| 144 | E | 40.8 | Very low | 51.7 | Low | 150 Ų | 150 | 130.6 Ų | 130.6 | 70% | 0.701 | 71% | 0.705 | S | S | * | * | trans | -61.6 | 95.2 | 151.9 | -164.9 | 150.9 | -168.5 | 0 | 0 | 103.2 | K142 E146 | K142-E144 PolarHBondContact O-N 2.97Å; E144-E146 PolarHBondContact O-N 3.25Å | ||
| 145 | L | 43.8 | Very low | 54.8 | Low | 152 Ų | 152 | 123.4 Ų | 123.4 | 80% | 0.796 | 67% | 0.668 | S | S | * | * | trans | -57.4 | 95.8 | 161.1 | -154.8 | 107.6 | 0 | 0 | 0 | 102.4 | G143 T147 | G143-L145 PolarHBondContact O-N 2.93Å; L145-T147 PolarHBondContact O-N 2.87Å | ||
| 146 | E | 45.3 | Very low | 57.4 | Low | 165 Ų | 165 | 117.9 Ų | 117.9 | 77% | 0.771 | 63% | 0.632 | S | S | * | * | trans | -53.7 | 101.9 | 168.3 | -69.2 | -158.7 | 161 | 0 | 0 | 104 | E144 E148 | E144-E146 PolarHBondContact O-N 3.25Å; E146-E148 PolarHBondContact O-N 2.89Å | ||
| 147 | T | 45.9 | Very low | 59.8 | Low | 114 Ų | 114 | 115.8 Ų | 115.8 | 70% | 0.699 | 60% | 0.602 | S | S | * | * | trans | -67 | 97.1 | 167.4 | -60.1 | 0 | 0 | 0 | 0 | 101.6 | L145 | L145-T147 PolarHBondContact O-N 2.87Š| ||
| 148 | E | 43.9 | Very low | 62.6 | Low | 158 Ų | 158 | 109.5 Ų | 109.5 | 74% | 0.738 | 56% | 0.564 | S | S | * | * | trans | -36.6 | 115.5 | 166.7 | -84.7 | -74.1 | 160.9 | 0 | 0 | 106.1 | E146 S150 | E146-E148 PolarHBondContact O-N 2.89Å; E148-S150 PolarHBondContact O-N 2.8Å | ||
| 149 | P | 56.7 | Low | 65.2 | Low | 106 Ų | 106 | 101.4 Ų | 101.4 | 69% | 0.688 | 53% | 0.527 | S | S | * | . | trans | -55.2 | 122.5 | -176.6 | 21.3 | -30.5 | 0 | 0 | 0 | 106 | P151 | P149-P151 VanDerWaalsContact O-N 3.1Š| ||
| 150 | S | 58.8 | Low | 67.8 | Low | 97 Ų | 97 | 90.6 Ų | 90.6 | 68% | 0.678 | 49% | 0.488 | S | S | * | . | trans | -43.6 | 126.7 | 173.6 | -33.7 | 0 | 0 | 0 | 0 | 106.7 | E148 E152 | E148-S150 PolarHBondContact O-N 2.8Å; S150-E152 PolarHBondContact O-N 3.22Å | ||
| 151 | P | 69.4 | Low | 70.5 | Confident | 120 Ų | 120 | 81.6 Ų | 81.6 | 78% | 0.779 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -52.6 | 119.5 | -175.6 | 17.9 | -29.6 | 0 | 0 | 0 | 107.7 | P149 L153 | P149-P151 VanDerWaalsContact O-N 3.1Å; P151-L153 PolarHBondContact O-N 2.7Å |
| 152 | E | 87.8 | Confident | 72.9 | Confident | 113 Ų | 113 | 81.5 Ų | 81.5 | 53% | 0.528 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 130.6 | -177.2 | -72.4 | -165.3 | 147.9 | 0 | 0 | 107.8 | S150 R180 S181 | S150-E152 PolarHBondContact O-N 3.22Å; E152-R180 HydrophobicContact CB-CG 4.35Å; E152-R180 IonicContact OE1-NH1 3.51Å; E152-R180 WeakPolarHBondContact OE2-CD 3.16Å; E152-R180 WeakPolarHBondContact OE2-CG 3.16Å; E152-R180 IonicContact OE2-CZ 3.74Å; E152-R180 IonicContact OE2-NE 3.45Å; E152-R180 PolarHBondContact OE2-NE 2.78Å; E152-R180 IonicContact OE2-NH1 3.69Å; E152-S181 VanDerWaalsContact C-OG 3.32Å; E152-S181 WeakPolarHBondContact CB-OG 3.26Å; E152-S181 WeakPolarHBondContact O-CB 3.25Å; E152-S181 PolarHBondContact O-OG 2.9Å |
| 153 | L | 94.2 | Very high | 75 | Confident | 70 Ų | 70 | 75.8 Ų | 75.8 | 37% | 0.366 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 144.8 | 179.8 | -70.6 | 178.8 | 0 | 0 | 0 | 110.7 | P151 A155 M304 | P151-L153 PolarHBondContact O-N 2.7Å; L153-A155 PolarHBondContact O-N 3.14Å; L153-M304 HydrophobicContact CB-CB 4.21Å; L153-M304 HydrophobicContact CD2-SD 4.34Å |
| 154 | P | 97 | Very high | 76.6 | Confident | 3 Ų | 3 | 77.9 Ų | 77.9 | 2% | 0.019 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -55.5 | 129.8 | 175.7 | -23.4 | 31.9 | 0 | 0 | 0 | 112.4 | L193 P194 L195 Y199 M304 | P154-L193 HydrophobicContact CB-CD2 4.5Å; P154-P194 HydrophobicContact CB-CG 4.18Å; P154-P194 HydrophobicContact CG-CG 4.01Å; P154-L195 HydrophobicContact CG-CB 4.33Å; P154-L195 HydrophobicContact CG-CD1 3.66Å; P154-L195 HydrophobicContact CG-CG 3.89Å; P154-Y199 HydrophobicContact CB-CE1 4.21Å; P154-M304 HydrophobicContact CG-SD 4.1Å; P154-M304 WeakPolarHBondContact O-CB 3.45Å; P154-M304 PolarHBondContact O-N 2.85Å |
| 155 | A | 97.6 | Very high | 78.2 | Confident | 7 Ų | 7 | 75 Ų | 75 | 6% | 0.058 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 151.8 | -180 | 0 | 0 | 0 | 0 | 0 | 111.2 | L153 F178 R180 A183 A302 V303 | L153-A155 PolarHBondContact O-N 3.14Å; A155-F178 HydrophobicContact CB-CE2 3.9Å; A155-R180 HydrophobicContact CB-CB 4.27Å; A155-R180 WeakPolarHBondContact O-CB 3.4Å; A155-R180 PolarHBondContact O-N 3.42Å; A155-A183 WeakPolarHBondContact O-CB 3.24Å; A155-A302 CarbonylContact C-O 3.58Å; A155-A302 VanDerWaalsContact CA-O 3.26Å; A155-A302 WeakPolarHBondContact CA-O 3.22Å; A155-V303 HydrophobicContact CB-CB 4.47Å; A155-V303 HydrophobicContact CB-CG1 4.26Å; A155-V303 HydrophobicContact CB-CG2 4.17Å |
| 156 | A | 98.3 | Very high | 79.9 | Confident | 0 Ų | 0 | 78.3 Ų | 78.3 | 0% | 0 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 143.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | L158 F178 L179 A183 L191 Y202 G301 A302 | A156-L158 HydrophobicContact CB-CD1 4.14Å; A156-F178 CarbonylContact C-O 3.43Å; A156-F178 WeakPolarHBondContact CA-O 3.09Å; A156-L179 HydrophobicContact CB-CD2 3.74Å; A156-A183 HydrophobicContact CB-CB 4.24Å; A156-L191 HydrophobicContact CB-CD1 3.53Å; A156-L191 HydrophobicContact CB-CD2 3.95Å; A156-L191 HydrophobicContact CB-CG 4.4Å; A156-Y202 PolarHBondContact O-OH 2.89Å; A156-G301 CarbonylContact O-C 3.51Å; A156-G301 WeakPolarHBondContact O-CA 3.49Å; A156-A302 PolarHBondContact N-O 3.27Å; A156-A302 PolarHBondContact O-N 3.04Å |
| 157 | H | 98.1 | Very high | 81.8 | Confident | 29 Ų | 29 | 71.2 Ų | 71.2 | 13% | 0.134 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 121.7 | 168.6 | -175.3 | 85.3 | 0 | 0 | 0 | 108.2 | E176 A177 F178 Y202 F299 | H157-E176 PolarHBondContact CD2-O 3.02Å; H157-A177 CarbonylContact O-C 3.41Å; H157-A177 WeakPolarHBondContact O-CA 3.27Å; H157-A177 WeakPolarHBondContact O-CB 3.24Å; H157-F178 HydrophobicContact CB-CD1 3.6Å; H157-F178 HydrophobicContact CB-CE1 3.28Å; H157-F178 HydrophobicContact CB-CE2 4.33Å; H157-F178 HydrophobicContact CB-CG 4.25Å; H157-F178 HydrophobicContact CB-CZ 3.7Å; H157-F178 PolarHBondContact N-O 3.12Å; H157-F178 PolarHBondContact O-N 2.85Å; H157-Y202 AromaticContact ND1-CE2 3.59Å; H157-Y202 AromaticContact ND1-CZ 3.7Å; H157-Y202 PolarHBondContact ND1-OH 2.83Å; H157-F299 AromaticContact CE1-CD2 3.59Å; H157-F299 AromaticContact CE1-CG 3.65Å |
| 158 | L | 97.7 | Very high | 84 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 139.5 | 179.8 | -61.3 | 93 | 0 | 0 | 0 | 109.4 | A156 W170 E171 A172 F185 L191 F299 F300 | A156-L158 HydrophobicContact CB-CD1 4.14Å; L158-W170 HydrophobicContact CB-CB 4.42Å; L158-W170 HydrophobicContact CB-CE3 4.32Å; L158-W170 HydrophobicContact CD2-CB 4.12Å; L158-E171 VanDerWaalsContact CA-O 3.25Å; L158-E171 WeakPolarHBondContact CA-O 3.25Å; L158-A172 HydrophobicContact CD2-CB 4Å; L158-A172 HydrophobicContact CG-CB 4.3Å; L158-F185 HydrophobicContact CD2-CB 3.91Å; L158-F185 HydrophobicContact CD2-CD1 3.61Å; L158-F185 HydrophobicContact CD2-CD2 3.26Å; L158-F185 HydrophobicContact CD2-CE1 3.9Å; L158-F185 HydrophobicContact CD2-CE2 3.59Å; L158-F185 HydrophobicContact CD2-CG 3.28Å; L158-F185 HydrophobicContact CD2-CZ 3.91Å; L158-L191 HydrophobicContact CD1-CD1 4.26Å; L158-L191 HydrophobicContact CD1-CD2 4.09Å; L158-F299 CarbonylContact O-C 3.58Å; L158-F299 WeakPolarHBondContact O-CA 3.41Å; L158-F299 VanDerWaalsContact O-CB 3.24Å; L158-F299 WeakPolarHBondContact O-CB 3.49Å; L158-F300 HydrophobicContact CB-CD1 3.84Å; L158-F300 HydrophobicContact CB-CE1 3.58Å; L158-F300 HydrophobicContact CB-CZ 4.27Å; L158-F300 HydrophobicContact CD1-CD1 4.41Å; L158-F300 HydrophobicContact CD1-CE1 3.92Å; L158-F300 HydrophobicContact CD1-CE2 4.06Å; L158-F300 HydrophobicContact CD1-CZ 3.72Å; L158-F300 HydrophobicContact CD2-CE1 3.84Å; L158-F300 HydrophobicContact CD2-CZ 3.89Å; L158-F300 HydrophobicContact CG-CE1 3.99Å; L158-F300 HydrophobicContact CG-CZ 4.19Å; L158-F300 PolarHBondContact N-O 3.47Å; L158-F300 PolarHBondContact O-N 3.18Å |
| 159 | I | 97 | Very high | 86.3 | Confident | 16 Ų | 16 | 60.7 Ų | 60.7 | 8% | 0.082 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 144.2 | -179.6 | 67.3 | -174.9 | 0 | 0 | 0 | 110.2 | A161 W170 E171 E175 A177 F299 | I159-A161 PolarHBondContact O-N 3.21Å; I159-W170 WeakPolarHBondContact O-CA 3.43Å; I159-E171 HydrophobicContact CD1-CB 4.4Å; I159-E171 HydrophobicContact CD1-CG 4.32Å; I159-E171 HydrophobicContact CG1-CB 3.79Å; I159-E171 HydrophobicContact CG1-CG 4.2Å; I159-E171 PolarHBondContact N-O 2.9Å; I159-E171 PolarHBondContact O-N 2.84Å; I159-E175 HydrophobicContact CD1-CB 3.87Å; I159-E175 HydrophobicContact CD1-CG 4.4Å; I159-A177 HydrophobicContact CD1-CB 4.23Å; I159-A177 HydrophobicContact CG1-CB 4.08Å; I159-A177 HydrophobicContact CG2-CB 4.31Å; I159-F299 HydrophobicContact CG2-CB 4.44Å |
| 160 | G | 95.4 | Very high | 88.1 | Confident | 8 Ų | 8 | 58.1 Ų | 58.1 | 8% | 0.082 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 122.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | T298 | G160-T298 PolarHBondContact N-O 3.42Å |
| 161 | A | 92.2 | Very high | 89.8 | Confident | 30 Ų | 30 | 55.4 Ų | 55.4 | 25% | 0.248 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 139.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | I159 G169 E171 | I159-A161 PolarHBondContact O-N 3.21Å; A161-G169 PolarHBondContact N-O 3.46Å; A161-G169 CarbonylContact O-C 3.49Å; A161-G169 PolarHBondContact O-N 3.03Å; A161-E171 HydrophobicContact CB-CB 4.1Å |
| 162 | W | 88.6 | Confident | 91.1 | Very high | 123 Ų | 123 | 50.2 Ų | 50.2 | 47% | 0.466 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 116.1 | 175 | -165.7 | -91.7 | 0 | 0 | 0 | 110.4 | ||
| 163 | V | 82.6 | Confident | 91.3 | Very high | 64 Ų | 64 | 49.5 Ų | 49.5 | 39% | 0.388 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 114.2 | 179.4 | -173.7 | 0 | 0 | 0 | 0 | 108.8 | G165 R166 G167 | V163-G165 PolarHBondContact O-N 3.34Å; V163-R166 HydrophobicContact CB-CB 4.09Å; V163-R166 HydrophobicContact CG1-CB 3.96Å; V163-R166 HydrophobicContact CG1-CG 4.44Å; V163-R166 PolarHBondContact O-N 3.32Å; V163-G167 PolarHBondContact N-O 3.15Å; V163-G167 PolarHBondContact O-N 3.03Å |
| 164 | S | 77.6 | Confident | 91.1 | Very high | 110 Ų | 110 | 52 Ų | 52 | 77% | 0.769 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.8 | 126.3 | 177.7 | -66.3 | 0 | 0 | 0 | 0 | 111.6 | R166 | S164-R166 PolarHBondContact O-N 3.31Š|
| 165 | G | 74.7 | Confident | 90.9 | Very high | 90 Ų | 90 | 58.8 Ų | 58.8 | 93% | 0.928 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76 | -7.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | V163 | V163-G165 PolarHBondContact O-N 3.34Š|
| 166 | R | 78.6 | Confident | 90.7 | Very high | 221 Ų | 221 | 62.3 Ų | 62.3 | 83% | 0.834 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.8 | -14.9 | 177.3 | -73.8 | -176.1 | 167.4 | -138 | -1.1 | 114.2 | V163 S164 | V163-R166 HydrophobicContact CB-CB 4.09Å; V163-R166 HydrophobicContact CG1-CB 3.96Å; V163-R166 HydrophobicContact CG1-CG 4.44Å; V163-R166 PolarHBondContact O-N 3.32Å; S164-R166 PolarHBondContact O-N 3.31Å |
| 167 | G | 85.8 | Confident | 90.6 | Very high | 16 Ų | 16 | 62.8 Ų | 62.8 | 17% | 0.165 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 84.8 | -147.8 | 180 | 0 | 0 | 0 | 0 | 0 | 112.2 | V163 G169 | V163-G167 PolarHBondContact N-O 3.15Å; V163-G167 PolarHBondContact O-N 3.03Å; G167-G169 PolarHBondContact O-N 3.43Å |
| 168 | L | 91.6 | Very high | 90.5 | Very high | 36 Ų | 36 | 65 Ų | 65 | 19% | 0.188 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 127.4 | 178.6 | -179 | 67.4 | 0 | 0 | 0 | 111.2 | I285 P288 V291 | L168-I285 HydrophobicContact CD2-CD1 3.43Å; L168-I285 VanDerWaalsContact CD2-CD1 3.43Å; L168-P288 HydrophobicContact CB-CB 4.24Å; L168-P288 HydrophobicContact CD2-CB 4.49Å; L168-V291 HydrophobicContact CD1-CB 4.36Å; L168-V291 HydrophobicContact CD1-CG1 3.79Å; L168-V291 HydrophobicContact CD2-CB 4.11Å; L168-V291 HydrophobicContact CD2-CG1 4Å; L168-V291 HydrophobicContact CD2-CG2 3.87Å |
| 169 | G | 93 | Very high | 90.5 | Very high | 16 Ų | 16 | 68.2 Ų | 68.2 | 17% | 0.165 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | -173.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | A161 G167 | A161-G169 PolarHBondContact N-O 3.46Å; A161-G169 CarbonylContact O-C 3.49Å; A161-G169 PolarHBondContact O-N 3.03Å; G167-G169 PolarHBondContact O-N 3.43Å |
| 170 | W | 94.7 | Very high | 90.5 | Very high | 52 Ų | 52 | 72.5 Ų | 72.5 | 20% | 0.197 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 134.7 | -179.7 | -60.3 | 103.9 | 0 | 0 | 0 | 110.1 | L158 I159 F185 V283 I285 T298 F300 | L158-W170 HydrophobicContact CB-CB 4.42Å; L158-W170 HydrophobicContact CB-CE3 4.32Å; L158-W170 HydrophobicContact CD2-CB 4.12Å; I159-W170 WeakPolarHBondContact O-CA 3.43Å; W170-F185 HydrophobicContact CB-CE1 3.84Å; W170-F185 HydrophobicContact CB-CE2 4.34Å; W170-F185 HydrophobicContact CB-CZ 3.55Å; W170-F185 HydrophobicContact CG-CZ 4.16Å; W170-V283 HydrophobicContact CH2-CG1 4.41Å; W170-V283 HydrophobicContact CH2-CG2 4.2Å; W170-V283 HydrophobicContact CZ2-CB 3.63Å; W170-V283 HydrophobicContact CZ2-CG1 3.85Å; W170-V283 HydrophobicContact CZ2-CG2 3.57Å; W170-I285 HydrophobicContact CH2-CD1 4.38Å; W170-I285 HydrophobicContact CZ2-CD1 4.01Å; W170-T298 HydrophobicContact CH2-CG2 3.91Å; W170-T298 HydrophobicContact CZ3-CG2 3.97Å; W170-F300 HydrophobicContact CB-CE1 4.35Å; W170-F300 AromaticContact CD2-CD1 3.67Å; W170-F300 HydrophobicContact CD2-CD1 3.67Å; W170-F300 AromaticContact CD2-CE1 3.41Å; W170-F300 HydrophobicContact CD2-CE1 3.41Å; W170-F300 VanDerWaalsContact CD2-CE1 3.41Å; W170-F300 AromaticContact CE2-CD1 3.86Å; W170-F300 AromaticContact CE2-CE1 3.71Å; W170-F300 AromaticContact CE3-CD1 3.46Å; W170-F300 HydrophobicContact CE3-CD1 3.46Å; W170-F300 VanDerWaalsContact CE3-CD1 3.46Å; W170-F300 AromaticContact CE3-CE1 3.65Å; W170-F300 HydrophobicContact CE3-CE1 3.65Å; W170-F300 HydrophobicContact CG-CD1 4.45Å; W170-F300 AromaticContact CG-CE1 3.74Å; W170-F300 HydrophobicContact CG-CE1 3.74Å; W170-F300 AromaticContact CH2-CD1 3.69Å; W170-F300 HydrophobicContact CH2-CD1 3.69Å; W170-F300 HydrophobicContact CH2-CE1 4.39Å; W170-F300 HydrophobicContact CH2-CG 4.49Å; W170-F300 AromaticContact CZ2-CD1 3.89Å; W170-F300 HydrophobicContact CZ2-CD1 3.89Å; W170-F300 HydrophobicContact CZ2-CE1 4.21Å; W170-F300 AromaticContact CZ3-CD1 3.49Å; W170-F300 HydrophobicContact CZ3-CD1 3.49Å; W170-F300 VanDerWaalsContact CZ3-CD1 3.49Å; W170-F300 HydrophobicContact CZ3-CE1 4.14Å |
| 171 | E | 95 | Very high | 90.5 | Very high | 39 Ų | 39 | 74.6 Ų | 74.6 | 18% | 0.182 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 139.1 | 173 | 173.5 | 57.9 | -107.3 | 0 | 0 | 109.2 | L158 I159 A161 S173 Q174 A177 | L158-E171 VanDerWaalsContact CA-O 3.25Å; L158-E171 WeakPolarHBondContact CA-O 3.25Å; I159-E171 HydrophobicContact CD1-CB 4.4Å; I159-E171 HydrophobicContact CD1-CG 4.32Å; I159-E171 HydrophobicContact CG1-CB 3.79Å; I159-E171 HydrophobicContact CG1-CG 4.2Å; I159-E171 PolarHBondContact N-O 2.9Å; I159-E171 PolarHBondContact O-N 2.84Å; A161-E171 HydrophobicContact CB-CB 4.1Å; E171-S173 WeakPolarHBondContact OE1-CA 3.3Å; E171-S173 PolarHBondContact OE1-N 3.02Å; E171-S173 PolarHBondContact OE1-OG 2.82Å; E171-Q174 HydrophobicContact CG-CB 3.82Å; E171-Q174 HydrophobicContact CG-CG 4.45Å; E171-Q174 PolarHBondContact OE1-N 2.84Å; E171-Q174 VanDerWaalsContact OE1-N 3.13Å; E171-Q174 PolarHBondContact OE2-NE2 2.93Å; E171-A177 HydrophobicContact CG-CB 4.37Å; E171-A177 VanDerWaalsContact O-CB 3.27Å; E171-A177 WeakPolarHBondContact O-CB 3.34Å |
| 172 | A | 95.3 | Very high | 90.6 | Very high | 12 Ų | 12 | 75.4 Ų | 75.4 | 10% | 0.099 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -127 | -8 | -170 | 0 | 0 | 0 | 0 | 0 | 113.8 | L158 F178 L179 F185 | L158-A172 HydrophobicContact CD2-CB 4Å; L158-A172 HydrophobicContact CG-CB 4.3Å; A172-F178 CarbonylContact O-C 3.57Å; A172-F178 WeakPolarHBondContact O-CA 3.32Å; A172-F178 PolarHBondContact O-N 2.9Å; A172-L179 HydrophobicContact CB-CD1 3.96Å; A172-L179 HydrophobicContact CB-CD2 4.33Å; A172-L179 HydrophobicContact CB-CG 4.05Å; A172-F185 HydrophobicContact CB-CB 3.99Å; A172-F185 HydrophobicContact CB-CD1 3.84Å; A172-F185 HydrophobicContact CB-CG 4.21Å |
| 173 | S | 92.5 | Very high | 91 | Very high | 98 Ų | 98 | 70 Ų | 70 | 69% | 0.685 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -133.2 | -16.1 | -169 | 63.7 | 0 | 0 | 0 | 0 | 114.7 | E171 | E171-S173 WeakPolarHBondContact OE1-CA 3.3Å; E171-S173 PolarHBondContact OE1-N 3.02Å; E171-S173 PolarHBondContact OE1-OG 2.82Å |
| 174 | Q | 90.5 | Very high | 91.7 | Very high | 123 Ų | 123 | 73 Ų | 73 | 58% | 0.575 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -110.3 | 158.9 | -177.2 | -58.6 | -177.2 | 72.6 | 0 | 0 | 111.8 | E171 E176 A177 | E171-Q174 HydrophobicContact CG-CB 3.82Å; E171-Q174 HydrophobicContact CG-CG 4.45Å; E171-Q174 PolarHBondContact OE1-N 2.84Å; E171-Q174 VanDerWaalsContact OE1-N 3.13Å; E171-Q174 PolarHBondContact OE2-NE2 2.93Å; Q174-E176 PolarHBondContact O-N 2.92Å; Q174-A177 VanDerWaalsContact O-CB 3.26Å; Q174-A177 WeakPolarHBondContact O-CB 3.44Å; Q174-A177 PolarHBondContact O-N 2.87Å |
| 175 | E | 91.9 | Very high | 92.6 | Very high | 144 Ų | 144 | 70 Ų | 70 | 67% | 0.673 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | -118.1 | -180 | -53.7 | -174.2 | -177.2 | 0 | 0 | 113.5 | I159 | I159-E175 HydrophobicContact CD1-CB 3.87Å; I159-E175 HydrophobicContact CD1-CG 4.4Å |
| 176 | E | 93.2 | Very high | 93.4 | Very high | 82 Ų | 82 | 67.6 Ų | 67.6 | 38% | 0.383 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -1.7 | 179.5 | -66.1 | 172.5 | 152.2 | 0 | 0 | 112 | H157 Q174 R295 | H157-E176 PolarHBondContact CD2-O 3.02Å; Q174-E176 PolarHBondContact O-N 2.92Å; E176-R295 VanDerWaalsContact CD-NH1 3.28Å; E176-R295 VanDerWaalsContact CG-NH2 3.29Å; E176-R295 IonicContact OE1-CZ 2.95Å; E176-R295 IonicContact OE1-NH1 2.71Å; E176-R295 PolarHBondContact OE1-NH1 3.12Å; E176-R295 IonicContact OE1-NH2 2.68Å; E176-R295 PolarHBondContact OE1-NH2 3.49Å; E176-R295 IonicContact OE2-CZ 3.52Å; E176-R295 IonicContact OE2-NE 3.98Å; E176-R295 IonicContact OE2-NH1 3.41Å; E176-R295 PolarHBondContact OE2-NH1 3.46Å; E176-R295 IonicContact OE2-NH2 3.78Å |
| 177 | A | 96.6 | Very high | 93.7 | Very high | 10 Ų | 10 | 60.7 Ų | 60.7 | 8% | 0.083 | 35% | 0.345 | C | S | . | . | trans | -76.3 | 143.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | H157 I159 E171 Q174 | H157-A177 CarbonylContact O-C 3.41Å; H157-A177 WeakPolarHBondContact O-CA 3.27Å; H157-A177 WeakPolarHBondContact O-CB 3.24Å; I159-A177 HydrophobicContact CD1-CB 4.23Å; I159-A177 HydrophobicContact CG1-CB 4.08Å; I159-A177 HydrophobicContact CG2-CB 4.31Å; E171-A177 HydrophobicContact CG-CB 4.37Å; E171-A177 VanDerWaalsContact O-CB 3.27Å; E171-A177 WeakPolarHBondContact O-CB 3.34Å; Q174-A177 VanDerWaalsContact O-CB 3.26Å; Q174-A177 WeakPolarHBondContact O-CB 3.44Å; Q174-A177 PolarHBondContact O-N 2.87Å | ||
| 178 | F | 97.1 | Very high | 93.6 | Very high | 76 Ų | 76 | 65.2 Ų | 65.2 | 33% | 0.333 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 153.4 | 176.3 | 67.2 | -97.9 | 0 | 0 | 0 | 112.4 | A155 A156 H157 A172 R180 | A155-F178 HydrophobicContact CB-CE2 3.9Å; A156-F178 CarbonylContact C-O 3.43Å; A156-F178 WeakPolarHBondContact CA-O 3.09Å; H157-F178 HydrophobicContact CB-CD1 3.6Å; H157-F178 HydrophobicContact CB-CE1 3.28Å; H157-F178 HydrophobicContact CB-CE2 4.33Å; H157-F178 HydrophobicContact CB-CG 4.25Å; H157-F178 HydrophobicContact CB-CZ 3.7Å; H157-F178 PolarHBondContact N-O 3.12Å; H157-F178 PolarHBondContact O-N 2.85Å; A172-F178 CarbonylContact O-C 3.57Å; A172-F178 WeakPolarHBondContact O-CA 3.32Å; A172-F178 PolarHBondContact O-N 2.9Å; F178-R180 HydrophobicContact CD2-CB 4.32Å |
| 179 | L | 97.7 | Very high | 93.3 | Very high | 67 Ų | 67 | 67.2 Ų | 67.2 | 35% | 0.351 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 133.4 | 164.5 | -62 | 173.7 | 0 | 0 | 0 | 107.7 | A156 A172 A183 F185 L191 | A156-L179 HydrophobicContact CB-CD2 3.74Å; A172-L179 HydrophobicContact CB-CD1 3.96Å; A172-L179 HydrophobicContact CB-CD2 4.33Å; A172-L179 HydrophobicContact CB-CG 4.05Å; L179-A183 HydrophobicContact CB-CB 4.32Å; L179-A183 HydrophobicContact CD2-CB 4.2Å; L179-F185 HydrophobicContact CD1-CB 4.13Å; L179-F185 HydrophobicContact CD2-CB 4.17Å; L179-L191 HydrophobicContact CD2-CD1 4.15Å |
| 180 | R | 96.4 | Very high | 93.3 | Very high | 106 Ų | 106 | 66.7 Ų | 66.7 | 40% | 0.4 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 146.5 | -174.7 | -173.1 | -179.1 | -69.5 | -158.1 | 1.4 | 111.2 | E152 A155 F178 G182 A183 | E152-R180 HydrophobicContact CB-CG 4.35Å; E152-R180 IonicContact OE1-NH1 3.51Å; E152-R180 WeakPolarHBondContact OE2-CD 3.16Å; E152-R180 WeakPolarHBondContact OE2-CG 3.16Å; E152-R180 IonicContact OE2-CZ 3.74Å; E152-R180 IonicContact OE2-NE 3.45Å; E152-R180 PolarHBondContact OE2-NE 2.78Å; E152-R180 IonicContact OE2-NH1 3.69Å; A155-R180 HydrophobicContact CB-CB 4.27Å; A155-R180 WeakPolarHBondContact O-CB 3.4Å; A155-R180 PolarHBondContact O-N 3.42Å; F178-R180 HydrophobicContact CD2-CB 4.32Å; R180-G182 PolarHBondContact O-N 2.97Å; R180-A183 VanDerWaalsContact O-CB 3.3Å; R180-A183 WeakPolarHBondContact O-CB 3.39Å; R180-A183 PolarHBondContact O-N 2.89Å; R180-A183 VanDerWaalsContact O-N 3.08Å |
| 181 | S | 95.1 | Very high | 93.4 | Very high | 52 Ų | 52 | 64.3 Ų | 64.3 | 36% | 0.364 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48 | 51.9 | 171.8 | -55.7 | 0 | 0 | 0 | 0 | 114.4 | E152 A183 P194 | E152-S181 VanDerWaalsContact C-OG 3.32Å; E152-S181 WeakPolarHBondContact CB-OG 3.26Å; E152-S181 WeakPolarHBondContact O-CB 3.25Å; E152-S181 PolarHBondContact O-OG 2.9Å; S181-A183 VanDerWaalsContact C-N 3.34Å; S181-A183 PolarHBondContact O-N 2.94Å; S181-P194 VanDerWaalsContact O-CG 3.23Å; S181-P194 WeakPolarHBondContact O-CG 3.24Å |
| 182 | G | 94.9 | Very high | 93.5 | Very high | 46 Ų | 46 | 62.7 Ų | 62.7 | 47% | 0.474 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | 4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | R180 | R180-G182 PolarHBondContact O-N 2.97Š|
| 183 | A | 96.8 | Very high | 93.5 | Very high | 9 Ų | 9 | 62.6 Ų | 62.6 | 7% | 0.074 | 36% | 0.358 | C | S | . | . | trans | -58.4 | 137.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | A155 A156 L179 R180 S181 A192 L193 | A155-A183 WeakPolarHBondContact O-CB 3.24Å; A156-A183 HydrophobicContact CB-CB 4.24Å; L179-A183 HydrophobicContact CB-CB 4.32Å; L179-A183 HydrophobicContact CD2-CB 4.2Å; R180-A183 VanDerWaalsContact O-CB 3.3Å; R180-A183 WeakPolarHBondContact O-CB 3.39Å; R180-A183 PolarHBondContact O-N 2.89Å; R180-A183 VanDerWaalsContact O-N 3.08Å; S181-A183 VanDerWaalsContact C-N 3.34Å; S181-A183 PolarHBondContact O-N 2.94Å; A183-A192 WeakPolarHBondContact CA-O 3.47Å; A183-L193 HydrophobicContact CB-CD2 3.97Å | ||
| 184 | Q | 96.4 | Very high | 93.6 | Very high | 127 Ų | 127 | 60 Ų | 60 | 59% | 0.593 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 146 | -179 | -65 | 174.4 | 32 | 0 | 0 | 109.9 | A192 | Q184-A192 HydrophobicContact CB-CB 4.25Å; Q184-A192 PolarHBondContact N-O 2.8Å; Q184-A192 PolarHBondContact O-N 2.73Å |
| 185 | F | 96.2 | Very high | 93.8 | Very high | 48 Ų | 48 | 58.2 Ų | 58.2 | 21% | 0.211 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 138.5 | 174 | 176.3 | -106 | 0 | 0 | 0 | 110.9 | L158 W170 A172 L179 L191 F300 | L158-F185 HydrophobicContact CD2-CB 3.91Å; L158-F185 HydrophobicContact CD2-CD1 3.61Å; L158-F185 HydrophobicContact CD2-CD2 3.26Å; L158-F185 HydrophobicContact CD2-CE1 3.9Å; L158-F185 HydrophobicContact CD2-CE2 3.59Å; L158-F185 HydrophobicContact CD2-CG 3.28Å; L158-F185 HydrophobicContact CD2-CZ 3.91Å; W170-F185 HydrophobicContact CB-CE1 3.84Å; W170-F185 HydrophobicContact CB-CE2 4.34Å; W170-F185 HydrophobicContact CB-CZ 3.55Å; W170-F185 HydrophobicContact CG-CZ 4.16Å; A172-F185 HydrophobicContact CB-CB 3.99Å; A172-F185 HydrophobicContact CB-CD1 3.84Å; A172-F185 HydrophobicContact CB-CG 4.21Å; L179-F185 HydrophobicContact CD1-CB 4.13Å; L179-F185 HydrophobicContact CD2-CB 4.17Å; F185-L191 HydrophobicContact CD2-CB 4.36Å; F185-F300 HydrophobicContact CE2-CZ 4.41Å |
| 186 | S | 91.4 | Very high | 94 | Very high | 40 Ų | 40 | 56 Ų | 56 | 28% | 0.28 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 139.1 | 168.5 | 167.5 | 0 | 0 | 0 | 0 | 108.7 | T188 D189 G190 | S186-T188 PolarHBondContact O-N 3.27Å; S186-T188 VanDerWaalsContact O-N 3.14Å; S186-T188 PolarHBondContact OG-N 3.37Å; S186-T188 PolarHBondContact OG-OG1 2.89Å; S186-D189 PolarHBondContact O-N 3.14Å; S186-D189 PolarHBondContact OG-OD2 3.47Å; S186-D189 VanDerWaalsContact OG-OD2 3.11Å; S186-G190 PolarHBondContact N-O 3.24Å; S186-G190 WeakPolarHBondContact O-CA 3.31Å; S186-G190 PolarHBondContact O-N 3.39Å |
| 187 | G | 85 | Confident | 94.1 | Very high | 75 Ų | 75 | 52.5 Ų | 52.5 | 77% | 0.773 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -23.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 188 | T | 83.6 | Confident | 94.2 | Very high | 111 Ų | 111 | 54.5 Ų | 54.5 | 68% | 0.681 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -38.9 | 176 | 49.6 | 0 | 0 | 0 | 0 | 112.7 | S186 | S186-T188 PolarHBondContact O-N 3.27Å; S186-T188 VanDerWaalsContact O-N 3.14Å; S186-T188 PolarHBondContact OG-N 3.37Å; S186-T188 PolarHBondContact OG-OG1 2.89Å |
| 189 | D | 85.6 | Confident | 94.2 | Very high | 79 Ų | 79 | 50.9 Ų | 50.9 | 42% | 0.422 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -4.8 | -168.7 | -51.9 | -67.3 | 0 | 0 | 0 | 113.7 | S186 R280 Y282 | S186-D189 PolarHBondContact O-N 3.14Å; S186-D189 PolarHBondContact OG-OD2 3.47Å; S186-D189 VanDerWaalsContact OG-OD2 3.11Å; D189-R280 WeakPolarHBondContact O-CB 3.27Å; D189-R280 WeakPolarHBondContact O-CD 3.39Å; D189-R280 WeakPolarHBondContact O-CG 3.45Å; D189-Y282 VanDerWaalsContact O-CE1 3.26Å; D189-Y282 WeakPolarHBondContact O-CE1 3.21Å; D189-Y282 PolarHBondContact O-OH 3.4Å |
| 190 | G | 93.1 | Very high | 94.3 | Very high | 5 Ų | 5 | 52.7 Ų | 52.7 | 5% | 0.052 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 77.6 | -169.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | S186 | S186-G190 PolarHBondContact N-O 3.24Å; S186-G190 WeakPolarHBondContact O-CA 3.31Å; S186-G190 PolarHBondContact O-N 3.39Å |
| 191 | L | 97.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 129.4 | 178.5 | 172.2 | 63.4 | 0 | 0 | 0 | 110.3 | A156 L158 L179 F185 R280 V281 F300 A302 | A156-L191 HydrophobicContact CB-CD1 3.53Å; A156-L191 HydrophobicContact CB-CD2 3.95Å; A156-L191 HydrophobicContact CB-CG 4.4Å; L158-L191 HydrophobicContact CD1-CD1 4.26Å; L158-L191 HydrophobicContact CD1-CD2 4.09Å; L179-L191 HydrophobicContact CD2-CD1 4.15Å; F185-L191 HydrophobicContact CD2-CB 4.36Å; L191-R280 CarbonylContact O-C 3.59Å; L191-R280 WeakPolarHBondContact O-CA 3.16Å; L191-V281 HydrophobicContact CB-CB 4.32Å; L191-V281 PolarHBondContact N-O 2.68Å; L191-V281 PolarHBondContact O-N 3.18Å; L191-F300 HydrophobicContact CB-CE2 4.09Å; L191-F300 HydrophobicContact CB-CZ 4.31Å; L191-F300 HydrophobicContact CD2-CE2 4.07Å; L191-A302 HydrophobicContact CD2-CB 3.93Å |
| 192 | A | 96 | Very high | 94.6 | Very high | 6 Ų | 6 | 47 Ų | 47 | 5% | 0.05 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 130.3 | 179 | 0 | 0 | 0 | 0 | 0 | 110.6 | A183 Q184 | A183-A192 WeakPolarHBondContact CA-O 3.47Å; Q184-A192 HydrophobicContact CB-CB 4.25Å; Q184-A192 PolarHBondContact N-O 2.8Å; Q184-A192 PolarHBondContact O-N 2.73Å |
| 193 | L | 96.3 | Very high | 94.7 | Very high | 10 Ų | 10 | 45 Ų | 45 | 5% | 0.052 | 26% | 0.259 | C | S | . | . | trans | -111.8 | 136.4 | 176.4 | -62 | 163.2 | 0 | 0 | 0 | 109 | P154 A183 Y199 L275 A302 | P154-L193 HydrophobicContact CB-CD2 4.5Å; A183-L193 HydrophobicContact CB-CD2 3.97Å; L193-Y199 HydrophobicContact CB-CE1 3.92Å; L193-Y199 HydrophobicContact CB-CE2 4.5Å; L193-Y199 HydrophobicContact CD1-CD1 3.44Å; L193-Y199 VanDerWaalsContact CD1-CD1 3.44Å; L193-Y199 HydrophobicContact CD1-CD2 4.31Å; L193-Y199 HydrophobicContact CD1-CE1 3.48Å; L193-Y199 VanDerWaalsContact CD1-CE1 3.48Å; L193-Y199 HydrophobicContact CD1-CE2 4.36Å; L193-Y199 HydrophobicContact CD1-CG 3.86Å; L193-Y199 HydrophobicContact CD2-CE1 4.11Å; L193-Y199 HydrophobicContact CG-CD1 4.43Å; L193-Y199 HydrophobicContact CG-CE1 4.02Å; L193-L275 HydrophobicContact CD1-CD1 3.7Å; L193-A302 HydrophobicContact CD1-CB 3.55Å; L193-A302 HydrophobicContact CD2-CB 4.32Å; L193-A302 HydrophobicContact CG-CB 4.49Å | ||
| 194 | P | 95.1 | Very high | 94.8 | Very high | 42 Ų | 42 | 46.9 Ų | 46.9 | 27% | 0.273 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -79.6 | -20.2 | -166.7 | 28.8 | -33.6 | 0 | 0 | 0 | 113.8 | P154 S181 S277 | P154-P194 HydrophobicContact CB-CG 4.18Å; P154-P194 HydrophobicContact CG-CG 4.01Å; S181-P194 VanDerWaalsContact O-CG 3.23Å; S181-P194 WeakPolarHBondContact O-CG 3.24Å; P194-S277 WeakPolarHBondContact O-CB 3.47Å; P194-S277 PolarHBondContact O-OG 2.82Å |
| 195 | L | 95 | Very high | 94.9 | Very high | 87 Ų | 87 | 40.8 Ų | 40.8 | 46% | 0.455 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -114 | 144.5 | -172.9 | -57.2 | -177 | 0 | 0 | 0 | 112.1 | P154 Y199 M304 | P154-L195 HydrophobicContact CG-CB 4.33Å; P154-L195 HydrophobicContact CG-CD1 3.66Å; P154-L195 HydrophobicContact CG-CG 3.89Å; L195-Y199 WeakPolarHBondContact O-CE2 3.38Å; L195-Y199 PolarHBondContact O-OH 3.39Å; L195-M304 HydrophobicContact CB-CE 4.5Å; L195-M304 HydrophobicContact CB-SD 4.16Å; L195-M304 HydrophobicContact CD1-SD 4.1Å |
| 196 | D | 95.5 | Very high | 95 | Very high | 96 Ų | 96 | 38.8 Ų | 38.8 | 51% | 0.513 | 23% | 0.23 | S | C | . | . | trans | -68.8 | 131.4 | 165.9 | -70 | 19 | 0 | 0 | 0 | 109 | L275 R276 S277 | D196-L275 WeakPolarHBondContact CA-O 3.24Å; D196-R276 WeakPolarHBondContact OD1-CA 3.33Å; D196-S277 VanDerWaalsContact OD1-CB 3.25Å; D196-S277 WeakPolarHBondContact OD1-CB 3.28Å; D196-S277 PolarHBondContact OD1-N 2.98Å | ||
| 197 | G | 95.5 | Very high | 95.2 | Very high | 10 Ų | 10 | 36.9 Ų | 36.9 | 10% | 0.103 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.2 | 177.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y199 Q274 L275 | G197-Y199 VanDerWaalsContact O-CD2 3.31Å; G197-Y199 WeakPolarHBondContact O-CD2 3.27Å; G197-Q274 VanDerWaalsContact C-NE2 3.26Å; G197-Q274 PolarHBondContact O-NE2 3.36Å; G197-Q274 VanDerWaalsContact O-NE2 3.12Å; G197-L275 PolarHBondContact N-O 3.01Å; G197-L275 PolarHBondContact O-N 2.89Å |
| 198 | V | 97.6 | Very high | 95.6 | Very high | 52 Ų | 52 | 38.7 Ų | 38.7 | 32% | 0.315 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 127.8 | 170.4 | -178.9 | 0 | 0 | 0 | 0 | 108 | L272 V305 | V198-L272 HydrophobicContact CG1-CB 4.05Å; V198-L272 HydrophobicContact CG1-CD2 4.07Å; V198-L272 HydrophobicContact CG1-CG 4.5Å; V198-V305 PolarHBondContact O-N 3Å |
| 199 | Y | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 138.1 | 178.6 | -68.2 | -96.1 | 0 | 0 | 0 | 110 | P154 L193 L195 G197 L201 L272 V273 L275 V303 M304 | P154-Y199 HydrophobicContact CB-CE1 4.21Å; L193-Y199 HydrophobicContact CB-CE1 3.92Å; L193-Y199 HydrophobicContact CB-CE2 4.5Å; L193-Y199 HydrophobicContact CD1-CD1 3.44Å; L193-Y199 VanDerWaalsContact CD1-CD1 3.44Å; L193-Y199 HydrophobicContact CD1-CD2 4.31Å; L193-Y199 HydrophobicContact CD1-CE1 3.48Å; L193-Y199 VanDerWaalsContact CD1-CE1 3.48Å; L193-Y199 HydrophobicContact CD1-CE2 4.36Å; L193-Y199 HydrophobicContact CD1-CG 3.86Å; L193-Y199 HydrophobicContact CD2-CE1 4.11Å; L193-Y199 HydrophobicContact CG-CD1 4.43Å; L193-Y199 HydrophobicContact CG-CE1 4.02Å; L195-Y199 WeakPolarHBondContact O-CE2 3.38Å; L195-Y199 PolarHBondContact O-OH 3.39Å; G197-Y199 VanDerWaalsContact O-CD2 3.31Å; G197-Y199 WeakPolarHBondContact O-CD2 3.27Å; Y199-L201 PolarHBondContact O-N 2.8Å; Y199-L272 CarbonylContact O-C 3.54Å; Y199-L272 WeakPolarHBondContact O-CA 3.32Å; Y199-V273 PolarHBondContact N-O 2.87Å; Y199-V273 PolarHBondContact O-N 2.95Å; Y199-L275 HydrophobicContact CD2-CB 3.73Å; Y199-L275 HydrophobicContact CD2-CD1 3.95Å; Y199-L275 HydrophobicContact CD2-CG 4.11Å; Y199-L275 HydrophobicContact CE2-CB 4Å; Y199-L275 HydrophobicContact CG-CD1 4.11Å; Y199-V303 CarbonylContact C-O 3.54Å; Y199-V303 WeakPolarHBondContact CA-O 3.44Å; Y199-M304 VanDerWaalsContact CD1-CA 3.42Å; Y199-M304 HydrophobicContact CD1-CB 3.73Å; Y199-M304 HydrophobicContact CD1-CG 4.34Å; Y199-M304 HydrophobicContact CE1-CB 3.45Å; Y199-M304 VanDerWaalsContact CE1-CB 3.45Å; Y199-M304 HydrophobicContact CE1-CG 3.95Å; Y199-M304 HydrophobicContact CE1-SD 4.37Å |
| 200 | Y | 98.5 | Very high | 96.1 | Very high | 104 Ų | 104 | 36.5 Ų | 36.5 | 41% | 0.408 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 109.1 | 162.5 | -177.3 | -105.9 | 0 | 0 | 0 | 108.7 | Y202 L272 A302 V303 | Y200-Y202 AromaticContact CD1-CD1 3.89Å; Y200-Y202 HydrophobicContact CD1-CD1 3.89Å; Y200-Y202 AromaticContact CE1-CD1 3.93Å; Y200-Y202 HydrophobicContact CE1-CD1 3.93Å; Y200-Y202 HydrophobicContact CE1-CG 4.25Å; Y200-L272 HydrophobicContact CD2-CD2 4.2Å; Y200-A302 WeakPolarHBondContact O-CA 3.49Å; Y200-V303 PolarHBondContact N-O 3.4Å; Y200-V303 PolarHBondContact O-N 3.08Å |
| 201 | L | 98.7 | Very high | 95.7 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 141.8 | 172.7 | -61.1 | -170.8 | 0 | 0 | 0 | 109.9 | Y199 L228 L243 L244 G270 G271 V273 L275 V281 G301 A302 | Y199-L201 PolarHBondContact O-N 2.8Å; L201-L228 HydrophobicContact CB-CD1 3.92Å; L201-L228 HydrophobicContact CD1-CD1 4.4Å; L201-L243 HydrophobicContact CD1-CD1 3.62Å; L201-L244 HydrophobicContact CB-CD1 3.98Å; L201-G270 CarbonylContact O-C 3.54Å; L201-G270 WeakPolarHBondContact O-CA 3.35Å; L201-G271 PolarHBondContact N-O 2.8Å; L201-G271 PolarHBondContact O-N 3.22Å; L201-V273 HydrophobicContact CD1-CB 4.03Å; L201-V273 HydrophobicContact CD1-CG1 4.41Å; L201-V273 HydrophobicContact CD1-CG2 3.87Å; L201-V273 HydrophobicContact CG-CB 4.26Å; L201-V273 HydrophobicContact CG-CG2 4.19Å; L201-L275 HydrophobicContact CD1-CD1 4.39Å; L201-L275 HydrophobicContact CD2-CD1 4.09Å; L201-V281 HydrophobicContact CD1-CG1 4.35Å; L201-V281 HydrophobicContact CD1-CG2 4.48Å; L201-G301 WeakPolarHBondContact CA-O 3.23Å; L201-A302 HydrophobicContact CD2-CB 3.32Å |
| 202 | Y | 98.7 | Very high | 95 | Very high | 39 Ų | 39 | 38.4 Ų | 38.4 | 15% | 0.153 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 150.2 | 176.3 | 60.1 | -85.9 | 0 | 0 | 0 | 111.2 | A156 H157 Y200 F269 F299 F300 G301 V303 | A156-Y202 PolarHBondContact O-OH 2.89Å; H157-Y202 AromaticContact ND1-CE2 3.59Å; H157-Y202 AromaticContact ND1-CZ 3.7Å; H157-Y202 PolarHBondContact ND1-OH 2.83Å; Y200-Y202 AromaticContact CD1-CD1 3.89Å; Y200-Y202 HydrophobicContact CD1-CD1 3.89Å; Y200-Y202 AromaticContact CE1-CD1 3.93Å; Y200-Y202 HydrophobicContact CE1-CD1 3.93Å; Y200-Y202 HydrophobicContact CE1-CG 4.25Å; Y202-F269 WeakPolarHBondContact CA-O 3.42Å; Y202-F299 HydrophobicContact CD2-CD2 4.08Å; Y202-F299 HydrophobicContact CD2-CE2 4.13Å; Y202-F299 AromaticContact CE2-CD2 3.94Å; Y202-F299 HydrophobicContact CE2-CD2 3.94Å; Y202-F299 HydrophobicContact CE2-CE2 4.25Å; Y202-F300 CarbonylContact O-C 3.58Å; Y202-F300 VanDerWaalsContact O-CA 3.25Å; Y202-F300 WeakPolarHBondContact O-CA 3.18Å; Y202-F300 WeakPolarHBondContact O-CB 3.32Å; Y202-G301 WeakPolarHBondContact CD1-O 3.42Å; Y202-G301 VanDerWaalsContact CE1-C 3.42Å; Y202-G301 PolarHBondContact N-O 2.71Å; Y202-G301 PolarHBondContact O-N 3.24Å; Y202-V303 HydrophobicContact CE1-CG2 4.35Å |
| 203 | C | 98.5 | Very high | 94.1 | Very high | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.014 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 136.2 | 176.8 | -175.4 | 0 | 0 | 0 | 0 | 109.3 | L228 G268 F269 F300 | C203-L228 HydrophobicContact CB-CD1 4.13Å; C203-L228 HydrophobicContact CB-CD2 4.26Å; C203-L228 HydrophobicContact CB-CG 4.16Å; C203-G268 CarbonylContact O-C 3.57Å; C203-G268 VanDerWaalsContact O-CA 3.3Å; C203-G268 WeakPolarHBondContact O-CA 3.31Å; C203-F269 HydrophobicContact CB-CD2 4.32Å; C203-F269 HydrophobicContact CB-CE1 4.02Å; C203-F269 HydrophobicContact CB-CE2 3.72Å; C203-F269 HydrophobicContact CB-CZ 3.56Å; C203-F269 PolarHBondContact N-O 2.88Å; C203-F269 PolarHBondContact O-N 3.4Å; C203-F300 HydrophobicContact CB-CB 4.05Å |
| 204 | H | 98.4 | Very high | 93 | Very high | 49 Ų | 49 | 43.1 Ų | 43.1 | 23% | 0.227 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 123.6 | 171.9 | -177.2 | -80.5 | 0 | 0 | 0 | 108.9 | S266 V267 K297 T298 F299 | H204-S266 VanDerWaalsContact CE1-CB 3.46Å; H204-S266 WeakPolarHBondContact CE1-CB 3.49Å; H204-S266 VanDerWaalsContact NE2-CB 3.33Å; H204-S266 WeakPolarHBondContact NE2-CB 3.3Å; H204-V267 CarbonylContact C-O 3.59Å; H204-V267 WeakPolarHBondContact CA-O 3.37Å; H204-K297 PolarHBondContact CE1-O 3.12Å; H204-K297 PolarHBondContact ND1-O 3.16Å; H204-T298 CarbonylContact O-C 3.58Å; H204-T298 VanDerWaalsContact O-CA 3.28Å; H204-T298 WeakPolarHBondContact O-CA 3.46Å; H204-F299 HydrophobicContact CB-CD1 4.36Å; H204-F299 HydrophobicContact CB-CD2 4.09Å; H204-F299 HydrophobicContact CB-CE1 3.9Å; H204-F299 HydrophobicContact CB-CE2 3.62Å; H204-F299 HydrophobicContact CB-CG 4.45Å; H204-F299 HydrophobicContact CB-CZ 3.51Å; H204-F299 AromaticContact CG-CZ 3.94Å; H204-F299 PolarHBondContact N-O 3.11Å; H204-F299 PolarHBondContact O-N 3.44Å; H204-F299 VanDerWaalsContact O-O 3.05Å |
| 205 | V | 98.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 115 | 178.1 | -173 | 0 | 0 | 0 | 0 | 109 | Y207 S266 V267 I285 V291 T298 | V205-Y207 HydrophobicContact CB-CE2 3.81Å; V205-Y207 HydrophobicContact CG1-CD1 4.48Å; V205-Y207 HydrophobicContact CG1-CD2 4.31Å; V205-Y207 HydrophobicContact CG1-CE1 3.87Å; V205-Y207 HydrophobicContact CG1-CE2 3.65Å; V205-Y207 VanDerWaalsContact CG1-CZ 3.41Å; V205-Y207 WeakPolarHBondContact O-CD2 3.39Å; V205-Y207 VanDerWaalsContact O-CE2 3.32Å; V205-Y207 WeakPolarHBondContact O-CE2 3.4Å; V205-S266 CarbonylContact O-C 3.51Å; V205-S266 VanDerWaalsContact O-CA 3.25Å; V205-S266 WeakPolarHBondContact O-CA 2.81Å; V205-V267 PolarHBondContact N-O 3.47Å; V205-V267 PolarHBondContact O-N 2.87Å; V205-I285 HydrophobicContact CG1-CD1 4.01Å; V205-I285 HydrophobicContact CG1-CG1 4.49Å; V205-I285 HydrophobicContact CG1-CG2 4.46Å; V205-I285 HydrophobicContact CG2-CD1 3.83Å; V205-I285 HydrophobicContact CG2-CG1 4.11Å; V205-V291 HydrophobicContact CG1-CG1 4.19Å; V205-V291 HydrophobicContact CG1-CG2 3.7Å; V205-T298 HydrophobicContact CG1-CG2 4.18Å; V205-T298 HydrophobicContact CG2-CG2 4.42Å |
| 206 | G | 97.7 | Very high | 90.3 | Very high | 5 Ų | 5 | 50.6 Ų | 50.6 | 5% | 0.052 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 137.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | V291 D292 K297 T298 | G206-V291 CarbonylContact O-C 3.58Å; G206-V291 WeakPolarHBondContact O-CA 3.4Å; G206-D292 PolarHBondContact O-N 2.91Å; G206-K297 PolarHBondContact N-O 2.92Å; G206-T298 PolarHBondContact N-OG1 2.91Å |
| 207 | Y | 96.3 | Very high | 88.6 | Confident | 1 Ų | 1 | 49 Ų | 49 | 0% | 0.004 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 145.7 | 176.7 | -60.6 | -89 | 0 | 0 | 0 | 110.5 | V205 L224 R225 Y264 T265 V267 I285 M290 V291 | V205-Y207 HydrophobicContact CB-CE2 3.81Å; V205-Y207 HydrophobicContact CG1-CD1 4.48Å; V205-Y207 HydrophobicContact CG1-CD2 4.31Å; V205-Y207 HydrophobicContact CG1-CE1 3.87Å; V205-Y207 HydrophobicContact CG1-CE2 3.65Å; V205-Y207 VanDerWaalsContact CG1-CZ 3.41Å; V205-Y207 WeakPolarHBondContact O-CD2 3.39Å; V205-Y207 VanDerWaalsContact O-CE2 3.32Å; V205-Y207 WeakPolarHBondContact O-CE2 3.4Å; Y207-L224 HydrophobicContact CD1-CD1 4.28Å; Y207-L224 HydrophobicContact CD1-CD2 3.9Å; Y207-L224 HydrophobicContact CD1-CG 4.47Å; Y207-L224 HydrophobicContact CD2-CB 4.17Å; Y207-L224 HydrophobicContact CD2-CD1 3.87Å; Y207-L224 HydrophobicContact CD2-CG 4.49Å; Y207-L224 HydrophobicContact CE1-CB 4.37Å; Y207-L224 HydrophobicContact CE1-CD2 4.14Å; Y207-L224 HydrophobicContact CE2-CB 3.97Å; Y207-L224 HydrophobicContact CG-CB 4.45Å; Y207-L224 HydrophobicContact CG-CD1 3.73Å; Y207-L224 HydrophobicContact CG-CD2 4.22Å; Y207-L224 HydrophobicContact CG-CG 4.35Å; Y207-R225 PolarHBondContact OH-O 3.41Å; Y207-Y264 WeakPolarHBondContact O-CA 3.38Å; Y207-T265 HydrophobicContact CD2-CG2 4.34Å; Y207-T265 PolarHBondContact N-O 3.41Å; Y207-T265 PolarHBondContact O-N 2.89Å; Y207-V267 HydrophobicContact CD2-CG2 4.43Å; Y207-V267 HydrophobicContact CE2-CB 4.12Å; Y207-V267 HydrophobicContact CE2-CG2 3.76Å; Y207-I285 HydrophobicContact CE1-CG2 3.99Å; Y207-M290 CarbonylContact C-O 3.59Å; Y207-M290 WeakPolarHBondContact CA-O 3.38Å; Y207-M290 HydrophobicContact CD1-CB 4.29Å; Y207-V291 HydrophobicContact CD1-CG2 4.22Å; Y207-V291 HydrophobicContact CE1-CG2 3.97Å |
| 208 | R | 94.1 | Very high | 87.1 | Confident | 113 Ų | 113 | 59.5 Ų | 59.5 | 43% | 0.426 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 144.1 | 171.9 | 66 | -178.7 | -175.3 | 133.2 | 0.1 | 110.5 | W263 Y264 M290 D292 | R208-W263 WeakPolarHBondContact CA-O 3.41Å; R208-Y264 HydrophobicContact CB-CD1 3.58Å; R208-Y264 HydrophobicContact CB-CE1 3.53Å; R208-M290 PolarHBondContact N-O 3.41Å; R208-D292 HydrophobicContact CG-CB 4.24Å |
| 209 | G | 91.3 | Very high | 85.7 | Confident | 12 Ų | 12 | 57.8 Ų | 57.8 | 12% | 0.124 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 176.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | L262 W263 | G209-L262 WeakPolarHBondContact O-CA 3.36Å; G209-L262 WeakPolarHBondContact O-CD2 3.18Å; G209-W263 VanDerWaalsContact CA-CE2 3.48Å; G209-W263 PolarHBondContact N-O 2.96Å; G209-W263 VanDerWaalsContact N-O 3.08Å; G209-W263 PolarHBondContact O-N 2.93Å |
| 210 | R | 88.4 | Confident | 84.9 | Confident | 131 Ų | 131 | 67.8 Ų | 67.8 | 49% | 0.494 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 141.5 | 173 | -70.3 | 179.8 | -176.3 | -80.8 | 3.7 | 109.7 | R260 S261 L262 W263 | R210-R260 VanDerWaalsContact NH1-CB 3.32Å; R210-R260 PolarHBondContact NH1-O 3.36Å; R210-R260 VanDerWaalsContact NH1-O 3.14Å; R210-S261 CarbonylContact C-O 3.54Å; R210-S261 WeakPolarHBondContact CA-O 3.34Å; R210-L262 HydrophobicContact CG-CD2 3.65Å; R210-W263 PolarHBondContact O-NE1 3.37Å |
| 211 | A | 84.8 | Confident | 84.4 | Confident | 13 Ų | 13 | 66.8 Ų | 66.8 | 11% | 0.107 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 142.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110 | A253 D255 S261 | A211-A253 WeakPolarHBondContact CB-O 3.12Å; A211-D255 HydrophobicContact CB-CB 3.95Å; A211-S261 WeakPolarHBondContact CB-O 3.36Å; A211-S261 PolarHBondContact N-O 2.81Å |
| 212 | P | 81.9 | Confident | 84.1 | Confident | 33 Ų | 33 | 68.8 Ų | 68.8 | 21% | 0.214 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 141.5 | 172.5 | 28.3 | -31.9 | 0 | 0 | 0 | 110.1 | A219 D255 | P212-A219 HydrophobicContact CG-CB 4.41Å; P212-D255 PolarHBondContact O-N 3.42Å |
| 213 | P | 77.9 | Confident | 84 | Confident | 58 Ų | 58 | 70.7 Ų | 70.7 | 38% | 0.377 | 37% | 0.372 | S | S | . | . | B | Isolated β-bridge | trans | -68.1 | 148.2 | 175.9 | 28.7 | -33.4 | 0 | 0 | 0 | 111.2 | G215 R216 | P213-G215 PolarHBondContact O-N 2.84Å; P213-R216 HydrophobicContact CG-CB 4.22Å; P213-R216 HydrophobicContact CG-CG 4.23Å; P213-R216 PolarHBondContact O-N 3.23Å |
| 214 | A | 73.3 | Confident | 84 | Confident | 58 Ų | 58 | 70.6 Ų | 70.6 | 48% | 0.479 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | 136.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V254 D255 | A214-V254 HydrophobicContact CB-CG1 4.19Å; A214-D255 WeakPolarHBondContact CB-O 3.26Å; A214-D255 PolarHBondContact N-O 2.66Å |
| 215 | G | 68.6 | Low | 84 | Confident | 86 Ų | 86 | 73.5 Ų | 73.5 | 89% | 0.887 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.9 | -11.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | P213 G217 | P213-G215 PolarHBondContact O-N 2.84Å; G215-G217 PolarHBondContact O-N 3.18Å |
| 216 | R | 64.5 | Low | 83.9 | Confident | 199 Ų | 199 | 73.5 Ų | 73.5 | 75% | 0.751 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -97.3 | 79.8 | 168.9 | -77.3 | -163.4 | -176.3 | -173.6 | 1.9 | 111.5 | P213 | P213-R216 HydrophobicContact CG-CB 4.22Å; P213-R216 HydrophobicContact CG-CG 4.23Å; P213-R216 PolarHBondContact O-N 3.23Å |
| 217 | G | 59.2 | Low | 83.9 | Confident | 64 Ų | 64 | 73.3 Ų | 73.3 | 66% | 0.66 | 38% | 0.379 | S | S | * | . | S | Bend | trans | 61.3 | 179.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | G215 | G215-G217 PolarHBondContact O-N 3.18Š|
| 218 | R | 63.2 | Low | 84 | Confident | 230 Ų | 230 | 73.3 Ų | 73.3 | 87% | 0.868 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -70.5 | 145 | 176.5 | -171.3 | 174.8 | -179.9 | 174.3 | 0.1 | 110 | R220 | R218-R220 PolarHBondContact O-N 2.83Å; R218-R220 VanDerWaalsContact O-N 3.12Å |
| 219 | A | 69.6 | Low | 84.1 | Confident | 16 Ų | 16 | 70.6 Ų | 70.6 | 13% | 0.132 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -50.4 | 119.9 | 168 | 0 | 0 | 0 | 0 | 0 | 110 | P212 T221 T251 P252 V254 | P212-A219 HydrophobicContact CG-CB 4.41Å; A219-T221 PolarHBondContact O-N 3.14Å; A219-T251 HydrophobicContact CB-CG2 4.23Å; A219-P252 WeakPolarHBondContact CB-O 3.48Å; A219-V254 HydrophobicContact CB-CG2 4.04Å |
| 220 | R | 80.4 | Confident | 84.3 | Confident | 210 Ų | 210 | 71.3 Ų | 71.3 | 79% | 0.792 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -78.8 | 121.2 | 178.5 | -64.1 | -178.5 | 106.8 | 158.5 | 3.7 | 108.1 | R218 P252 | R218-R220 PolarHBondContact O-N 2.83Å; R218-R220 VanDerWaalsContact O-N 3.12Å; R220-P252 WeakPolarHBondContact O-CD 3.38Å |
| 221 | T | 89.6 | Confident | 84.4 | Confident | 83 Ų | 83 | 65.8 Ų | 65.8 | 51% | 0.509 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -69 | 133.1 | 167.9 | -58 | 0 | 0 | 0 | 0 | 108.9 | A219 T249 V250 T251 | A219-T221 PolarHBondContact O-N 3.14Å; T221-T249 HydrophobicContact CG2-CG2 3.18Å; T221-V250 CarbonylContact C-O 3.6Å; T221-V250 WeakPolarHBondContact CA-O 3.35Å; T221-T251 WeakPolarHBondContact CG2-OG1 3.19Å; T221-T251 PolarHBondContact OG1-OG1 2.92Å |
| 222 | L | 92.3 | Very high | 84.6 | Confident | 43 Ų | 43 | 66 Ų | 66 | 23% | 0.225 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 127.8 | -178.2 | -64.3 | 172 | 0 | 0 | 0 | 109.2 | T249 V250 W263 M290 | L222-T249 CarbonylContact O-C 3.57Å; L222-T249 WeakPolarHBondContact O-CA 3.32Å; L222-V250 PolarHBondContact N-O 2.79Å; L222-V250 PolarHBondContact O-N 2.91Å; L222-W263 HydrophobicContact CD1-CH2 4.29Å; L222-W263 HydrophobicContact CD1-CZ2 3.86Å; L222-M290 HydrophobicContact CD1-CE 3.91Å; L222-M290 HydrophobicContact CD1-SD 4.42Å |
| 223 | T | 96.8 | Very high | 84.5 | Confident | 78 Ų | 78 | 66.2 Ų | 66.2 | 48% | 0.479 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 109.4 | 170.1 | -57.3 | 0 | 0 | 0 | 0 | 109 | A247 T249 H287 | T223-A247 HydrophobicContact CG2-CB 4.31Å; T223-T249 PolarHBondContact OG1-OG1 3.42Å; T223-H287 PolarHBondContact O-CE1 3.39Å |
| 224 | L | 97.3 | Very high | 84 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 127.1 | 178.8 | -58.1 | 168.8 | 0 | 0 | 0 | 107.4 | Y207 A247 E248 V250 W263 T265 V267 H287 | Y207-L224 HydrophobicContact CD1-CD1 4.28Å; Y207-L224 HydrophobicContact CD1-CD2 3.9Å; Y207-L224 HydrophobicContact CD1-CG 4.47Å; Y207-L224 HydrophobicContact CD2-CB 4.17Å; Y207-L224 HydrophobicContact CD2-CD1 3.87Å; Y207-L224 HydrophobicContact CD2-CG 4.49Å; Y207-L224 HydrophobicContact CE1-CB 4.37Å; Y207-L224 HydrophobicContact CE1-CD2 4.14Å; Y207-L224 HydrophobicContact CE2-CB 3.97Å; Y207-L224 HydrophobicContact CG-CB 4.45Å; Y207-L224 HydrophobicContact CG-CD1 3.73Å; Y207-L224 HydrophobicContact CG-CD2 4.22Å; Y207-L224 HydrophobicContact CG-CG 4.35Å; L224-A247 CarbonylContact O-C 3.55Å; L224-A247 WeakPolarHBondContact O-CA 3.36Å; L224-E248 PolarHBondContact N-O 2.82Å; L224-E248 PolarHBondContact O-N 3.01Å; L224-V250 HydrophobicContact CD1-CG2 3.87Å; L224-W263 HydrophobicContact CD1-CH2 4.14Å; L224-W263 HydrophobicContact CD1-CZ3 4.07Å; L224-T265 HydrophobicContact CD1-CG2 3.27Å; L224-V267 HydrophobicContact CB-CG2 4.31Å; L224-H287 HydrophobicContact CD2-CB 4.06Å |
| 225 | R | 98 | Very high | 83.5 | Confident | 110 Ų | 110 | 69.6 Ų | 69.6 | 42% | 0.415 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 138.9 | -174.6 | 176.5 | 176.7 | 62.4 | -161.8 | 8.8 | 109.8 | Y207 E245 G246 A247 S286 | Y207-R225 PolarHBondContact OH-O 3.41Å; R225-E245 WeakPolarHBondContact CD-OE1 3.32Å; R225-E245 HydrophobicContact CG-CG 4.02Å; R225-E245 IonicContact NE-OE1 2.72Å; R225-E245 IonicContact NH1-OE1 3.16Å; R225-G246 WeakPolarHBondContact CA-O 3.01Å; R225-A247 HydrophobicContact CB-CB 4.36Å; R225-S286 PolarHBondContact N-OG 3.04Å; R225-S286 PolarHBondContact O-N 2.88Å; R225-S286 PolarHBondContact O-OG 2.86Å |
| 226 | S | 97.6 | Very high | 83.4 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 140.1 | 168.3 | 37.1 | 0 | 0 | 0 | 0 | 109.6 | G246 V267 F269 N284 | S226-G246 PolarHBondContact N-O 3.48Å; S226-G246 PolarHBondContact O-N 2.72Å; S226-V267 WeakPolarHBondContact OG-CG1 3.42Å; S226-F269 WeakPolarHBondContact O-CE1 3.32Å; S226-F269 WeakPolarHBondContact O-CZ 3.34Å; S226-F269 WeakPolarHBondContact OG-CE1 3.17Å; S226-N284 CarbonylContact C-O 3.56Å; S226-N284 VanDerWaalsContact CA-O 3.26Å; S226-N284 WeakPolarHBondContact CA-O 3.31Å |
| 227 | A | 97.9 | Very high | 83.5 | Confident | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.008 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 143 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111 | Y229 L242 L244 E245 V283 N284 | A227-Y229 HydrophobicContact CB-CD2 4.25Å; A227-Y229 HydrophobicContact CB-CE2 3.52Å; A227-L242 HydrophobicContact CB-CD1 3.64Å; A227-L244 CarbonylContact C-O 3.52Å; A227-L244 VanDerWaalsContact CA-O 3.25Å; A227-L244 WeakPolarHBondContact CA-O 3.25Å; A227-E245 HydrophobicContact CB-CB 4.3Å; A227-E245 HydrophobicContact CB-CG 4.25Å; A227-V283 CarbonylContact O-C 3.49Å; A227-V283 WeakPolarHBondContact O-CA 3.47Å; A227-N284 PolarHBondContact N-O 3.45Å; A227-N284 PolarHBondContact O-N 2.8Å |
| 228 | L | 97.9 | Very high | 83.8 | Confident | 1 Ų | 1 | 69.3 Ų | 69.3 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 130.4 | 170.6 | -68.1 | 177.8 | 0 | 0 | 0 | 109.4 | L201 C203 L243 L244 F269 V281 Y282 V283 F300 | L201-L228 HydrophobicContact CB-CD1 3.92Å; L201-L228 HydrophobicContact CD1-CD1 4.4Å; C203-L228 HydrophobicContact CB-CD1 4.13Å; C203-L228 HydrophobicContact CB-CD2 4.26Å; C203-L228 HydrophobicContact CB-CG 4.16Å; L228-L243 HydrophobicContact CB-CB 4.47Å; L228-L243 WeakPolarHBondContact O-CB 3.46Å; L228-L243 PolarHBondContact O-N 3.19Å; L228-L244 HydrophobicContact CB-CB 4.44Å; L228-L244 HydrophobicContact CD1-CD1 4.27Å; L228-L244 PolarHBondContact N-O 2.9Å; L228-L244 PolarHBondContact O-N 2.77Å; L228-F269 HydrophobicContact CB-CE2 4.39Å; L228-F269 HydrophobicContact CD1-CE2 3.91Å; L228-F269 HydrophobicContact CG-CE2 3.77Å; L228-F269 HydrophobicContact CG-CZ 4.17Å; L228-V281 HydrophobicContact CD2-CG1 4.26Å; L228-Y282 CarbonylContact C-O 3.49Å; L228-Y282 WeakPolarHBondContact CA-O 3.38Å; L228-V283 HydrophobicContact CD2-CB 4.31Å; L228-V283 HydrophobicContact CD2-CG1 4.37Å; L228-V283 HydrophobicContact CD2-CG2 3.69Å; L228-F300 HydrophobicContact CD2-CD2 4.09Å |
| 229 | Y | 95.8 | Very high | 84.4 | Confident | 56 Ų | 56 | 63.5 Ų | 63.5 | 22% | 0.22 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 151.7 | 177 | -68.5 | -93.6 | 0 | 0 | 0 | 110.6 | A227 P240 E241 L242 V281 Y282 N284 | A227-Y229 HydrophobicContact CB-CD2 4.25Å; A227-Y229 HydrophobicContact CB-CE2 3.52Å; Y229-P240 HydrophobicContact CD1-CB 3.83Å; Y229-P240 HydrophobicContact CG-CB 4.19Å; Y229-E241 CarbonylContact C-O 3.55Å; Y229-E241 WeakPolarHBondContact CA-O 3.33Å; Y229-L242 HydrophobicContact CD1-CB 4.17Å; Y229-L242 HydrophobicContact CD1-CD1 4.39Å; Y229-L242 HydrophobicContact CE1-CB 3.81Å; Y229-L242 HydrophobicContact CE1-CD1 3.89Å; Y229-L242 HydrophobicContact CE1-CG 4.46Å; Y229-L242 HydrophobicContact CE2-CD1 4.16Å; Y229-V281 CarbonylContact O-C 3.49Å; Y229-V281 VanDerWaalsContact O-CA 3.27Å; Y229-V281 WeakPolarHBondContact O-CA 3.41Å; Y229-Y282 PolarHBondContact N-O 3.08Å; Y229-Y282 PolarHBondContact O-N 3.02Å; Y229-N284 HydrophobicContact CD2-CB 3.96Å; Y229-N284 HydrophobicContact CE2-CB 3.55Å |
| 230 | R | 94.6 | Very high | 85.4 | Confident | 28 Ų | 28 | 66.7 Ų | 66.7 | 11% | 0.106 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 148 | 161.1 | 64.2 | 173.7 | 175.5 | -153 | -5 | 112.2 | Y235 P240 E241 L243 Q274 R280 | R230-Y235 PolarHBondContact NH2-OH 3.07Å; R230-P240 CarbonylContact O-C 3.57Å; R230-P240 WeakPolarHBondContact O-CA 3.36Å; R230-E241 HydrophobicContact CG-CB 3.93Å; R230-E241 IonicContact CZ-OE1 3.76Å; R230-E241 IonicContact CZ-OE2 2.77Å; R230-E241 PolarHBondContact N-O 2.84Å; R230-E241 VanDerWaalsContact NE-CD 3.35Å; R230-E241 IonicContact NE-OE1 3.18Å; R230-E241 IonicContact NE-OE2 3.87Å; R230-E241 PolarHBondContact NE-OE2 3.09Å; R230-E241 IonicContact NH2-OE1 2.82Å; R230-E241 PolarHBondContact NH2-OE1 3.42Å; R230-E241 IonicContact NH2-OE2 3.97Å; R230-E241 PolarHBondContact NH2-OE2 3.37Å; R230-E241 PolarHBondContact O-N 2.86Å; R230-L243 HydrophobicContact CB-CD1 3.92Å; R230-L243 HydrophobicContact CB-CD2 4.39Å; R230-L243 HydrophobicContact CB-CG 4.23Å; R230-L243 HydrophobicContact CG-CD1 4.27Å; R230-L243 HydrophobicContact CG-CD2 3.8Å; R230-L243 HydrophobicContact CG-CG 4.08Å; R230-Q274 PolarHBondContact NH1-O 3.32Å; R230-R280 CarbonylContact C-O 3.55Å; R230-R280 WeakPolarHBondContact CA-O 2.98Å |
| 231 | A | 92.2 | Very high | 86 | Confident | 15 Ų | 15 | 60.3 Ų | 60.3 | 12% | 0.124 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 167.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | E279 R280 Y282 | A231-E279 WeakPolarHBondContact O-CA 3.39Å; A231-R280 PolarHBondContact N-O 3.34Å; A231-R280 PolarHBondContact O-N 3.39Å; A231-Y282 HydrophobicContact CB-CE2 3.9Å |
| 232 | G | 87.7 | Confident | 86.3 | Confident | 18 Ų | 18 | 60 Ų | 60 | 19% | 0.186 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 84.4 | -164.3 | -180 | 0 | 0 | 0 | 0 | 0 | 114 | Y235 G236 | G232-Y235 PolarHBondContact O-N 3.36Å; G232-G236 VanDerWaalsContact CA-O 3.24Å; G232-G236 WeakPolarHBondContact CA-O 3.42Å; G232-G236 PolarHBondContact N-O 2.85Å |
| 233 | G | 79.6 | Confident | 86.6 | Confident | 36 Ų | 36 | 59.5 Ų | 59.5 | 37% | 0.371 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | 59.2 | -137.8 | -177 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y235 G236 G278 | G233-Y235 PolarHBondContact O-N 2.82Å; G233-Y235 VanDerWaalsContact O-N 3.15Å; G233-G236 PolarHBondContact O-N 3.02Å; G233-G278 PolarHBondContact N-O 3.21Å |
| 234 | A | 68.2 | Low | 86.7 | Confident | 81 Ų | 81 | 57.6 Ų | 57.6 | 67% | 0.669 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -66.8 | -12.2 | -178 | 0 | 0 | 0 | 0 | 0 | 114.1 | G236 | A234-G236 VanDerWaalsContact C-N 3.27Š|
| 235 | Y | 63.4 | Low | 86.7 | Confident | 107 Ų | 107 | 62 Ų | 62 | 42% | 0.42 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -86.2 | 0.7 | 173.9 | -56.1 | -69.2 | 0 | 0 | 0 | 112.8 | R230 G232 G233 R276 E279 | R230-Y235 PolarHBondContact NH2-OH 3.07Å; G232-Y235 PolarHBondContact O-N 3.36Å; G233-Y235 PolarHBondContact O-N 2.82Å; G233-Y235 VanDerWaalsContact O-N 3.15Å; Y235-R276 PolarHBondContact OH-NH2 3.35Å; Y235-R276 VanDerWaalsContact OH-NH2 3.14Å; Y235-E279 WeakPolarHBondContact CD2-OE1 3.33Å; Y235-E279 WeakPolarHBondContact CE2-OE1 3.3Å |
| 236 | G | 66.6 | Low | 86.7 | Confident | 38 Ų | 38 | 57.3 Ų | 57.3 | 39% | 0.392 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67 | -166.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | G232 G233 A234 G238 | G232-G236 VanDerWaalsContact CA-O 3.24Å; G232-G236 WeakPolarHBondContact CA-O 3.42Å; G232-G236 PolarHBondContact N-O 2.85Å; G233-G236 PolarHBondContact O-N 3.02Å; A234-G236 VanDerWaalsContact C-N 3.27Å; G236-G238 PolarHBondContact O-N 2.79Å |
| 237 | R | 66.3 | Low | 86.7 | Confident | 264 Ų | 264 | 60 Ų | 60 | 100% | 0.996 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | 15.6 | 174.6 | -129.8 | -172.6 | -160.1 | -153 | 5.4 | 113.4 | ||
| 238 | G | 65.4 | Low | 86.7 | Confident | 41 Ų | 41 | 64.2 Ų | 64.2 | 42% | 0.423 | 37% | 0.37 | S | S | . | . | trans | -68.6 | -175.9 | -165.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | G236 | G236-G238 PolarHBondContact O-N 2.79Š| ||
| 239 | S | 76.4 | Confident | 86.6 | Confident | 108 Ų | 108 | 67.8 Ų | 67.8 | 76% | 0.755 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 135.6 | -179 | 53.2 | 0 | 0 | 0 | 0 | 111.8 | E241 | S239-E241 PolarHBondContact O-N 2.92Š|
| 240 | P | 89.7 | Confident | 86.5 | Confident | 82 Ų | 82 | 66.1 Ų | 66.1 | 53% | 0.532 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 134.2 | 174.9 | -23.8 | 33 | 0 | 0 | 0 | 112 | Y229 R230 | Y229-P240 HydrophobicContact CD1-CB 3.83Å; Y229-P240 HydrophobicContact CG-CB 4.19Å; R230-P240 CarbonylContact O-C 3.57Å; R230-P240 WeakPolarHBondContact O-CA 3.36Å |
| 241 | E | 93.3 | Very high | 86.3 | Confident | 77 Ų | 77 | 68.8 Ų | 68.8 | 36% | 0.36 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 130.4 | 174.6 | -176.8 | -175.2 | 165.1 | 0 | 0 | 109.8 | Y229 R230 S239 L243 | Y229-E241 CarbonylContact C-O 3.55Å; Y229-E241 WeakPolarHBondContact CA-O 3.33Å; R230-E241 HydrophobicContact CG-CB 3.93Å; R230-E241 IonicContact CZ-OE1 3.76Å; R230-E241 IonicContact CZ-OE2 2.77Å; R230-E241 PolarHBondContact N-O 2.84Å; R230-E241 VanDerWaalsContact NE-CD 3.35Å; R230-E241 IonicContact NE-OE1 3.18Å; R230-E241 IonicContact NE-OE2 3.87Å; R230-E241 PolarHBondContact NE-OE2 3.09Å; R230-E241 IonicContact NH2-OE1 2.82Å; R230-E241 PolarHBondContact NH2-OE1 3.42Å; R230-E241 IonicContact NH2-OE2 3.97Å; R230-E241 PolarHBondContact NH2-OE2 3.37Å; R230-E241 PolarHBondContact O-N 2.86Å; S239-E241 PolarHBondContact O-N 2.92Å; E241-L243 PolarHBondContact O-N 2.91Å |
| 242 | L | 96.1 | Very high | 86 | Confident | 76 Ų | 76 | 68.6 Ų | 68.6 | 40% | 0.398 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 126.3 | 176.6 | 179.1 | 65.8 | 0 | 0 | 0 | 110.2 | A227 Y229 E245 | A227-L242 HydrophobicContact CB-CD1 3.64Å; Y229-L242 HydrophobicContact CD1-CB 4.17Å; Y229-L242 HydrophobicContact CD1-CD1 4.39Å; Y229-L242 HydrophobicContact CE1-CB 3.81Å; Y229-L242 HydrophobicContact CE1-CD1 3.89Å; Y229-L242 HydrophobicContact CE1-CG 4.46Å; Y229-L242 HydrophobicContact CE2-CD1 4.16Å; L242-E245 HydrophobicContact CD1-CB 4.23Å; L242-E245 HydrophobicContact CD2-CB 4.36Å; L242-E245 WeakPolarHBondContact CD2-OE2 3.3Å |
| 243 | L | 97.4 | Very high | 85.8 | Confident | 33 Ų | 33 | 71.6 Ų | 71.6 | 17% | 0.173 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | -54.1 | 176.4 | -64.4 | 178.9 | 0 | 0 | 0 | 111.9 | L201 L228 R230 E241 V273 L275 | L201-L243 HydrophobicContact CD1-CD1 3.62Å; L228-L243 HydrophobicContact CB-CB 4.47Å; L228-L243 WeakPolarHBondContact O-CB 3.46Å; L228-L243 PolarHBondContact O-N 3.19Å; R230-L243 HydrophobicContact CB-CD1 3.92Å; R230-L243 HydrophobicContact CB-CD2 4.39Å; R230-L243 HydrophobicContact CB-CG 4.23Å; R230-L243 HydrophobicContact CG-CD1 4.27Å; R230-L243 HydrophobicContact CG-CD2 3.8Å; R230-L243 HydrophobicContact CG-CG 4.08Å; E241-L243 PolarHBondContact O-N 2.91Å; L243-V273 HydrophobicContact CB-CG2 4.41Å; L243-V273 HydrophobicContact CD1-CG1 3.99Å; L243-V273 HydrophobicContact CD2-CG1 3.67Å; L243-V273 HydrophobicContact CG-CG1 4.36Å; L243-L275 HydrophobicContact CD1-CD2 4.29Å |
| 244 | L | 98.4 | Very high | 85.9 | Confident | 38 Ų | 38 | 73 Ų | 73 | 20% | 0.199 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 142.1 | -174.5 | -62.1 | 172.7 | 0 | 0 | 0 | 108.9 | L201 A227 L228 F269 | L201-L244 HydrophobicContact CB-CD1 3.98Å; A227-L244 CarbonylContact C-O 3.52Å; A227-L244 VanDerWaalsContact CA-O 3.25Å; A227-L244 WeakPolarHBondContact CA-O 3.25Å; L228-L244 HydrophobicContact CB-CB 4.44Å; L228-L244 HydrophobicContact CD1-CD1 4.27Å; L228-L244 PolarHBondContact N-O 2.9Å; L228-L244 PolarHBondContact O-N 2.77Å; L244-F269 HydrophobicContact CB-CD2 3.53Å; L244-F269 HydrophobicContact CB-CE2 3.51Å; L244-F269 HydrophobicContact CD1-CD2 4.25Å; L244-F269 HydrophobicContact CG-CD2 4.49Å |
| 245 | E | 98.3 | Very high | 86.4 | Confident | 91 Ų | 91 | 69.3 Ų | 69.3 | 43% | 0.425 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 141.9 | 178.1 | -176.7 | 176.9 | 161.2 | 0 | 0 | 109.9 | R225 A227 L242 | R225-E245 WeakPolarHBondContact CD-OE1 3.32Å; R225-E245 HydrophobicContact CG-CG 4.02Å; R225-E245 IonicContact NE-OE1 2.72Å; R225-E245 IonicContact NH1-OE1 3.16Å; A227-E245 HydrophobicContact CB-CB 4.3Å; A227-E245 HydrophobicContact CB-CG 4.25Å; L242-E245 HydrophobicContact CD1-CB 4.23Å; L242-E245 HydrophobicContact CD2-CB 4.36Å; L242-E245 WeakPolarHBondContact CD2-OE2 3.3Å |
| 246 | G | 98.2 | Very high | 86.7 | Confident | 13 Ų | 13 | 69.2 Ų | 69.2 | 13% | 0.134 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 148.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | R225 S226 V267 | R225-G246 WeakPolarHBondContact CA-O 3.01Å; S226-G246 PolarHBondContact N-O 3.48Å; S226-G246 PolarHBondContact O-N 2.72Å; G246-V267 WeakPolarHBondContact O-CG1 3.44Å |
| 247 | A | 98 | Very high | 87 | Confident | 56 Ų | 56 | 72 Ų | 72 | 46% | 0.463 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 145.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | T223 L224 R225 | T223-A247 HydrophobicContact CG2-CB 4.31Å; L224-A247 CarbonylContact O-C 3.55Å; L224-A247 WeakPolarHBondContact O-CA 3.36Å; R225-A247 HydrophobicContact CB-CB 4.36Å |
| 248 | E | 97.4 | Very high | 87.1 | Confident | 89 Ų | 89 | 61.5 Ų | 61.5 | 42% | 0.416 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 138.7 | 175.7 | -178.8 | 67.9 | -174.8 | 0 | 0 | 108.6 | L224 V250 T265 V267 | L224-E248 PolarHBondContact N-O 2.82Å; L224-E248 PolarHBondContact O-N 3.01Å; E248-V250 HydrophobicContact CG-CG2 4.39Å; E248-T265 HydrophobicContact CG-CG2 4.39Å; E248-V267 HydrophobicContact CB-CG2 3.64Å |
| 249 | T | 96.1 | Very high | 87.4 | Confident | 77 Ų | 77 | 68.5 Ų | 68.5 | 47% | 0.472 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 116.7 | 178.9 | -64.4 | 0 | 0 | 0 | 0 | 110.8 | T221 L222 T223 | T221-T249 HydrophobicContact CG2-CG2 3.18Å; L222-T249 CarbonylContact O-C 3.57Å; L222-T249 WeakPolarHBondContact O-CA 3.32Å; T223-T249 PolarHBondContact OG1-OG1 3.42Å |
| 250 | V | 93.2 | Very high | 87.3 | Confident | 21 Ų | 21 | 70.9 Ų | 70.9 | 13% | 0.127 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 132.6 | -179.2 | -177 | 0 | 0 | 0 | 0 | 109.7 | T221 L222 L224 E248 P252 W263 T265 | T221-V250 CarbonylContact C-O 3.6Å; T221-V250 WeakPolarHBondContact CA-O 3.35Å; L222-V250 PolarHBondContact N-O 2.79Å; L222-V250 PolarHBondContact O-N 2.91Å; L224-V250 HydrophobicContact CD1-CG2 3.87Å; E248-V250 HydrophobicContact CG-CG2 4.39Å; V250-P252 HydrophobicContact CG1-CG 4.21Å; V250-W263 HydrophobicContact CG1-CD2 4.3Å; V250-W263 HydrophobicContact CG1-CE3 4.12Å; V250-W263 HydrophobicContact CG1-CZ3 4.34Å; V250-W263 HydrophobicContact CG2-CZ3 4.41Å; V250-T265 HydrophobicContact CG2-CG2 3.43Å; V250-T265 VanDerWaalsContact CG2-CG2 3.43Å |
| 251 | T | 90.8 | Very high | 87.1 | Confident | 84 Ų | 84 | 69.6 Ų | 69.6 | 52% | 0.515 | 39% | 0.393 | S | S | . | . | trans | -114.4 | 97.5 | 165.2 | -57.5 | 0 | 0 | 0 | 0 | 108.1 | A219 T221 A253 | A219-T251 HydrophobicContact CB-CG2 4.23Å; T221-T251 WeakPolarHBondContact CG2-OG1 3.19Å; T221-T251 PolarHBondContact OG1-OG1 2.92Å; T251-A253 PolarHBondContact O-N 3Å | ||
| 252 | P | 85.9 | Confident | 86.8 | Confident | 10 Ų | 10 | 69.9 Ų | 69.9 | 7% | 0.065 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 133.2 | -179.4 | -23.7 | 34.6 | 0 | 0 | 0 | 110.6 | A219 R220 V250 W263 | A219-P252 WeakPolarHBondContact CB-O 3.48Å; R220-P252 WeakPolarHBondContact O-CD 3.38Å; V250-P252 HydrophobicContact CG1-CG 4.21Å; P252-W263 HydrophobicContact CB-CG 4.41Å; P252-W263 HydrophobicContact CG-CD2 4.5Å; P252-W263 HydrophobicContact CG-CG 4.47Å; P252-W263 HydrophobicContact CG-CZ2 4.29Å |
| 253 | A | 83 | Confident | 86.6 | Confident | 81 Ų | 81 | 67.7 Ų | 67.7 | 67% | 0.669 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 142.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | A211 T251 | A211-A253 WeakPolarHBondContact CB-O 3.12Å; T251-A253 PolarHBondContact O-N 3Å |
| 254 | V | 81.1 | Confident | 86.5 | Confident | 65 Ų | 65 | 71.7 Ų | 71.7 | 39% | 0.394 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 137.2 | 172 | 178.8 | 0 | 0 | 0 | 0 | 108.1 | A214 A219 P256 | A214-V254 HydrophobicContact CB-CG1 4.19Å; A219-V254 HydrophobicContact CB-CG2 4.04Å; V254-P256 WeakPolarHBondContact O-CD 3.43Å |
| 255 | D | 80.1 | Confident | 86.4 | Confident | 5 Ų | 5 | 71.5 Ų | 71.5 | 3% | 0.027 | 40% | 0.397 | C | S | . | . | B | Isolated β-bridge | trans | -83.2 | 106.6 | 175.9 | -179.3 | -2.8 | 0 | 0 | 0 | 110.1 | A211 P212 A214 V257 G258 Y259 R260 S261 | A211-D255 HydrophobicContact CB-CB 3.95Å; P212-D255 PolarHBondContact O-N 3.42Å; A214-D255 WeakPolarHBondContact CB-O 3.26Å; A214-D255 PolarHBondContact N-O 2.66Å; D255-V257 VanDerWaalsContact C-N 3.31Å; D255-V257 PolarHBondContact O-N 3.49Å; D255-V257 PolarHBondContact OD1-N 3.08Å; D255-G258 PolarHBondContact OD1-N 3.43Å; D255-G258 WeakPolarHBondContact OD2-CA 3.25Å; D255-Y259 PolarHBondContact OD1-N 2.77Å; D255-Y259 PolarHBondContact OD2-N 3.27Å; D255-R260 WeakPolarHBondContact OD2-CA 3.41Å; D255-R260 PolarHBondContact OD2-N 3.08Å; D255-S261 PolarHBondContact OD2-N 2.87Å |
| 256 | P | 69.8 | Low | 86.3 | Confident | 105 Ų | 105 | 69.9 Ų | 69.9 | 68% | 0.682 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -74.1 | -21.4 | -173.2 | 27 | -27.4 | 0 | 0 | 0 | 113.3 | V254 | V254-P256 WeakPolarHBondContact O-CD 3.43Š|
| 257 | V | 72.1 | Confident | 86.3 | Confident | 97 Ų | 97 | 69.5 Ų | 69.5 | 59% | 0.588 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -115.4 | -6.6 | -172.6 | -164.1 | 0 | 0 | 0 | 0 | 112.1 | D255 Y259 | D255-V257 VanDerWaalsContact C-N 3.31Å; D255-V257 PolarHBondContact O-N 3.49Å; D255-V257 PolarHBondContact OD1-N 3.08Å; V257-Y259 HydrophobicContact CB-CD2 3.54Å; V257-Y259 HydrophobicContact CB-CE2 3.49Å; V257-Y259 VanDerWaalsContact CB-CE2 3.49Å; V257-Y259 HydrophobicContact CG1-CD2 3.76Å; V257-Y259 HydrophobicContact CG1-CE2 3.2Å; V257-Y259 HydrophobicContact CG2-CD2 4.35Å; V257-Y259 HydrophobicContact CG2-CE2 4.15Å |
| 258 | G | 68.7 | Low | 86.3 | Confident | 42 Ų | 42 | 69.2 Ų | 69.2 | 43% | 0.433 | 39% | 0.393 | S | S | . | . | trans | 76.6 | 21.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | D255 R260 | D255-G258 PolarHBondContact OD1-N 3.43Å; D255-G258 WeakPolarHBondContact OD2-CA 3.25Å; G258-R260 PolarHBondContact O-N 2.97Å; G258-R260 VanDerWaalsContact O-N 3.08Å | ||
| 259 | Y | 71.3 | Confident | 86.4 | Confident | 188 Ų | 188 | 66.6 Ų | 66.6 | 74% | 0.737 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -69.2 | 2.4 | 175.7 | -72.8 | -60.9 | 0 | 0 | 0 | 114.2 | D255 V257 S261 | D255-Y259 PolarHBondContact OD1-N 2.77Å; D255-Y259 PolarHBondContact OD2-N 3.27Å; V257-Y259 HydrophobicContact CB-CD2 3.54Å; V257-Y259 HydrophobicContact CB-CE2 3.49Å; V257-Y259 VanDerWaalsContact CB-CE2 3.49Å; V257-Y259 HydrophobicContact CG1-CD2 3.76Å; V257-Y259 HydrophobicContact CG1-CE2 3.2Å; V257-Y259 HydrophobicContact CG2-CD2 4.35Å; V257-Y259 HydrophobicContact CG2-CE2 4.15Å; Y259-S261 VanDerWaalsContact C-N 3.32Å; Y259-S261 PolarHBondContact O-N 3.14Å |
| 260 | R | 74 | Confident | 86.5 | Confident | 159 Ų | 159 | 64.6 Ų | 64.6 | 60% | 0.6 | 38% | 0.375 | S | S | * | . | trans | 57.2 | 45 | -176.8 | -46.7 | -177.6 | 88.9 | -163 | 9.9 | 111.5 | R210 D255 G258 L262 | R210-R260 VanDerWaalsContact NH1-CB 3.32Å; R210-R260 PolarHBondContact NH1-O 3.36Å; R210-R260 VanDerWaalsContact NH1-O 3.14Å; D255-R260 WeakPolarHBondContact OD2-CA 3.41Å; D255-R260 PolarHBondContact OD2-N 3.08Å; G258-R260 PolarHBondContact O-N 2.97Å; G258-R260 VanDerWaalsContact O-N 3.08Å; R260-L262 PolarHBondContact O-N 3.33Å | ||
| 261 | S | 85.5 | Confident | 86.7 | Confident | 55 Ų | 55 | 64.3 Ų | 64.3 | 39% | 0.385 | 38% | 0.377 | S | S | . | . | trans | -45.5 | 133 | -177.5 | -63 | 0 | 0 | 0 | 0 | 111.6 | R210 A211 D255 Y259 | R210-S261 CarbonylContact C-O 3.54Å; R210-S261 WeakPolarHBondContact CA-O 3.34Å; A211-S261 WeakPolarHBondContact CB-O 3.36Å; A211-S261 PolarHBondContact N-O 2.81Å; D255-S261 PolarHBondContact OD2-N 2.87Å; Y259-S261 VanDerWaalsContact C-N 3.32Å; Y259-S261 PolarHBondContact O-N 3.14Å | ||
| 262 | L | 88.5 | Confident | 87.1 | Confident | 82 Ų | 82 | 66 Ų | 66 | 43% | 0.429 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 147.1 | 178.3 | -67.5 | 169 | 0 | 0 | 0 | 109.9 | G209 R210 R260 Y264 | G209-L262 WeakPolarHBondContact O-CA 3.36Å; G209-L262 WeakPolarHBondContact O-CD2 3.18Å; R210-L262 HydrophobicContact CG-CD2 3.65Å; R260-L262 PolarHBondContact O-N 3.33Å; L262-Y264 HydrophobicContact CB-CE2 4.03Å |
| 263 | W | 91.8 | Very high | 87.6 | Confident | 30 Ų | 30 | 66.2 Ų | 66.2 | 11% | 0.114 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 154.8 | 167.1 | 58.4 | -97.6 | 0 | 0 | 0 | 109.5 | R208 G209 R210 L222 L224 V250 P252 T265 M290 | R208-W263 WeakPolarHBondContact CA-O 3.41Å; G209-W263 VanDerWaalsContact CA-CE2 3.48Å; G209-W263 PolarHBondContact N-O 2.96Å; G209-W263 VanDerWaalsContact N-O 3.08Å; G209-W263 PolarHBondContact O-N 2.93Å; R210-W263 PolarHBondContact O-NE1 3.37Å; L222-W263 HydrophobicContact CD1-CH2 4.29Å; L222-W263 HydrophobicContact CD1-CZ2 3.86Å; L224-W263 HydrophobicContact CD1-CH2 4.14Å; L224-W263 HydrophobicContact CD1-CZ3 4.07Å; V250-W263 HydrophobicContact CG1-CD2 4.3Å; V250-W263 HydrophobicContact CG1-CE3 4.12Å; V250-W263 HydrophobicContact CG1-CZ3 4.34Å; V250-W263 HydrophobicContact CG2-CZ3 4.41Å; P252-W263 HydrophobicContact CB-CG 4.41Å; P252-W263 HydrophobicContact CG-CD2 4.5Å; P252-W263 HydrophobicContact CG-CG 4.47Å; P252-W263 HydrophobicContact CG-CZ2 4.29Å; W263-T265 HydrophobicContact CZ3-CG2 4.16Å; W263-M290 HydrophobicContact CH2-CE 3.3Å; W263-M290 HydrophobicContact CZ2-CE 3.23Å |
| 264 | Y | 94 | Very high | 88.3 | Confident | 118 Ų | 118 | 67.3 Ų | 67.3 | 46% | 0.463 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 142.1 | 179.7 | -60.9 | -81.9 | 0 | 0 | 0 | 109.1 | Y207 R208 L262 | Y207-Y264 WeakPolarHBondContact O-CA 3.38Å; R208-Y264 HydrophobicContact CB-CD1 3.58Å; R208-Y264 HydrophobicContact CB-CE1 3.53Å; L262-Y264 HydrophobicContact CB-CE2 4.03Å |
| 265 | T | 96.4 | Very high | 88.9 | Confident | 33 Ų | 33 | 64.4 Ų | 64.4 | 20% | 0.202 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 177.1 | 165.2 | -163.3 | 0 | 0 | 0 | 0 | 109.5 | Y207 L224 E248 V250 W263 | Y207-T265 HydrophobicContact CD2-CG2 4.34Å; Y207-T265 PolarHBondContact N-O 3.41Å; Y207-T265 PolarHBondContact O-N 2.89Å; L224-T265 HydrophobicContact CD1-CG2 3.27Å; E248-T265 HydrophobicContact CG-CG2 4.39Å; V250-T265 HydrophobicContact CG2-CG2 3.43Å; V250-T265 VanDerWaalsContact CG2-CG2 3.43Å; W263-T265 HydrophobicContact CZ3-CG2 4.16Å |
| 266 | S | 97.1 | Very high | 89.5 | Confident | 57 Ų | 57 | 67.9 Ų | 67.9 | 40% | 0.399 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 150.7 | 176.1 | 49.4 | 0 | 0 | 0 | 0 | 111.3 | H204 V205 | H204-S266 VanDerWaalsContact CE1-CB 3.46Å; H204-S266 WeakPolarHBondContact CE1-CB 3.49Å; H204-S266 VanDerWaalsContact NE2-CB 3.33Å; H204-S266 WeakPolarHBondContact NE2-CB 3.3Å; V205-S266 CarbonylContact O-C 3.51Å; V205-S266 VanDerWaalsContact O-CA 3.25Å; V205-S266 WeakPolarHBondContact O-CA 2.81Å |
| 267 | V | 98.2 | Very high | 90.6 | Very high | 6 Ų | 6 | 65.8 Ų | 65.8 | 4% | 0.036 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 119.2 | 169.2 | 179 | 0 | 0 | 0 | 0 | 107.3 | H204 V205 Y207 L224 S226 G246 E248 F269 | H204-V267 CarbonylContact C-O 3.59Å; H204-V267 WeakPolarHBondContact CA-O 3.37Å; V205-V267 PolarHBondContact N-O 3.47Å; V205-V267 PolarHBondContact O-N 2.87Å; Y207-V267 HydrophobicContact CD2-CG2 4.43Å; Y207-V267 HydrophobicContact CE2-CB 4.12Å; Y207-V267 HydrophobicContact CE2-CG2 3.76Å; L224-V267 HydrophobicContact CB-CG2 4.31Å; S226-V267 WeakPolarHBondContact OG-CG1 3.42Å; G246-V267 WeakPolarHBondContact O-CG1 3.44Å; E248-V267 HydrophobicContact CB-CG2 3.64Å; V267-F269 HydrophobicContact CG1-CD1 4.26Å; V267-F269 HydrophobicContact CG1-CE1 4.44Å |
| 268 | G | 97.9 | Very high | 91.5 | Very high | 49 Ų | 49 | 62.9 Ų | 62.9 | 51% | 0.505 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 137.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | C203 | C203-G268 CarbonylContact O-C 3.57Å; C203-G268 VanDerWaalsContact O-CA 3.3Å; C203-G268 WeakPolarHBondContact O-CA 3.31Å |
| 269 | F | 98.5 | Very high | 92.6 | Very high | 35 Ų | 35 | 61 Ų | 61 | 15% | 0.154 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 160.1 | 176.8 | 56.1 | -91.7 | 0 | 0 | 0 | 111 | Y202 C203 S226 L228 L244 V267 | Y202-F269 WeakPolarHBondContact CA-O 3.42Å; C203-F269 HydrophobicContact CB-CD2 4.32Å; C203-F269 HydrophobicContact CB-CE1 4.02Å; C203-F269 HydrophobicContact CB-CE2 3.72Å; C203-F269 HydrophobicContact CB-CZ 3.56Å; C203-F269 PolarHBondContact N-O 2.88Å; C203-F269 PolarHBondContact O-N 3.4Å; S226-F269 WeakPolarHBondContact O-CE1 3.32Å; S226-F269 WeakPolarHBondContact O-CZ 3.34Å; S226-F269 WeakPolarHBondContact OG-CE1 3.17Å; L228-F269 HydrophobicContact CB-CE2 4.39Å; L228-F269 HydrophobicContact CD1-CE2 3.91Å; L228-F269 HydrophobicContact CG-CE2 3.77Å; L228-F269 HydrophobicContact CG-CZ 4.17Å; L244-F269 HydrophobicContact CB-CD2 3.53Å; L244-F269 HydrophobicContact CB-CE2 3.51Å; L244-F269 HydrophobicContact CD1-CD2 4.25Å; L244-F269 HydrophobicContact CG-CD2 4.49Å; V267-F269 HydrophobicContact CG1-CD1 4.26Å; V267-F269 HydrophobicContact CG1-CE1 4.44Å |
| 270 | G | 98.4 | Very high | 93.8 | Very high | 34 Ų | 34 | 55.6 Ų | 55.6 | 35% | 0.351 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.8 | 158.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | L201 | L201-G270 CarbonylContact O-C 3.54Å; L201-G270 WeakPolarHBondContact O-CA 3.35Å |
| 271 | G | 98.5 | Very high | 94.8 | Very high | 16 Ų | 16 | 48.2 Ų | 48.2 | 17% | 0.165 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.4 | 162.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L201 | L201-G271 PolarHBondContact N-O 2.8Å; L201-G271 PolarHBondContact O-N 3.22Å |
| 272 | L | 98.4 | Very high | 95.3 | Very high | 118 Ų | 118 | 49 Ų | 49 | 62% | 0.618 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 131.3 | 176.4 | -64 | 173.5 | 0 | 0 | 0 | 110.2 | V198 Y199 Y200 V305 | V198-L272 HydrophobicContact CG1-CB 4.05Å; V198-L272 HydrophobicContact CG1-CD2 4.07Å; V198-L272 HydrophobicContact CG1-CG 4.5Å; Y199-L272 CarbonylContact O-C 3.54Å; Y199-L272 WeakPolarHBondContact O-CA 3.32Å; Y200-L272 HydrophobicContact CD2-CD2 4.2Å; L272-V305 HydrophobicContact CD2-CG2 3.81Å |
| 273 | V | 97.3 | Very high | 95.6 | Very high | 15 Ų | 15 | 46.3 Ų | 46.3 | 9% | 0.091 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 133.2 | -179.7 | 180 | 0 | 0 | 0 | 0 | 109.5 | Y199 L201 L243 L275 | Y199-V273 PolarHBondContact N-O 2.87Å; Y199-V273 PolarHBondContact O-N 2.95Å; L201-V273 HydrophobicContact CD1-CB 4.03Å; L201-V273 HydrophobicContact CD1-CG1 4.41Å; L201-V273 HydrophobicContact CD1-CG2 3.87Å; L201-V273 HydrophobicContact CG-CB 4.26Å; L201-V273 HydrophobicContact CG-CG2 4.19Å; L243-V273 HydrophobicContact CB-CG2 4.41Å; L243-V273 HydrophobicContact CD1-CG1 3.99Å; L243-V273 HydrophobicContact CD2-CG1 3.67Å; L243-V273 HydrophobicContact CG-CG1 4.36Å; V273-L275 HydrophobicContact CG1-CD2 3.8Å; V273-L275 HydrophobicContact CG1-CG 4.11Å; V273-L275 PolarHBondContact O-N 3.1Å |
| 274 | Q | 95.9 | Very high | 95.8 | Very high | 104 Ų | 104 | 48.7 Ų | 48.7 | 49% | 0.486 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 117.5 | 166.6 | -174.9 | 71.8 | 48.8 | 0 | 0 | 109.1 | G197 R230 | G197-Q274 VanDerWaalsContact C-NE2 3.26Å; G197-Q274 PolarHBondContact O-NE2 3.36Å; G197-Q274 VanDerWaalsContact O-NE2 3.12Å; R230-Q274 PolarHBondContact NH1-O 3.32Å |
| 275 | L | 94.9 | Very high | 95.9 | Very high | 5 Ų | 5 | 44.1 Ų | 44.1 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 151.4 | 173.6 | -63 | 176.3 | 0 | 0 | 0 | 110.3 | L193 D196 G197 Y199 L201 L243 V273 E279 V281 | L193-L275 HydrophobicContact CD1-CD1 3.7Å; D196-L275 WeakPolarHBondContact CA-O 3.24Å; G197-L275 PolarHBondContact N-O 3.01Å; G197-L275 PolarHBondContact O-N 2.89Å; Y199-L275 HydrophobicContact CD2-CB 3.73Å; Y199-L275 HydrophobicContact CD2-CD1 3.95Å; Y199-L275 HydrophobicContact CD2-CG 4.11Å; Y199-L275 HydrophobicContact CE2-CB 4Å; Y199-L275 HydrophobicContact CG-CD1 4.11Å; L201-L275 HydrophobicContact CD1-CD1 4.39Å; L201-L275 HydrophobicContact CD2-CD1 4.09Å; L243-L275 HydrophobicContact CD1-CD2 4.29Å; V273-L275 HydrophobicContact CG1-CD2 3.8Å; V273-L275 HydrophobicContact CG1-CG 4.11Å; V273-L275 PolarHBondContact O-N 3.1Å; L275-E279 WeakPolarHBondContact CA-OE2 3.2Å; L275-V281 HydrophobicContact CD1-CG2 3.9Å; L275-V281 HydrophobicContact CD2-CG2 4.26Å |
| 276 | R | 93.4 | Very high | 95.9 | Very high | 77 Ų | 77 | 44.5 Ų | 44.5 | 29% | 0.291 | 26% | 0.262 | S | S | . | . | trans | -113.4 | 151.5 | 170.9 | -68.2 | -177.7 | -65.3 | -103.8 | -10.3 | 111.1 | D196 Y235 G278 E279 | D196-R276 WeakPolarHBondContact OD1-CA 3.33Å; Y235-R276 PolarHBondContact OH-NH2 3.35Å; Y235-R276 VanDerWaalsContact OH-NH2 3.14Å; R276-G278 PolarHBondContact O-N 2.91Å; R276-E279 HydrophobicContact CB-CG 4.21Å; R276-E279 IonicContact CZ-OE1 2.8Å; R276-E279 VanDerWaalsContact CZ-OE1 3.3Å; R276-E279 PolarHBondContact N-OE2 2.91Å; R276-E279 IonicContact NE-OE1 3.73Å; R276-E279 PolarHBondContact NE-OE1 2.82Å; R276-E279 IonicContact NH2-OE1 3.61Å; R276-E279 PolarHBondContact NH2-OE1 3.17Å; R276-E279 VanDerWaalsContact O-CB 3.25Å; R276-E279 WeakPolarHBondContact O-CB 3.36Å; R276-E279 WeakPolarHBondContact O-CG 3.35Å; R276-E279 PolarHBondContact O-N 2.93Å | ||
| 277 | S | 92.3 | Very high | 95.8 | Very high | 61 Ų | 61 | 44.5 Ų | 44.5 | 43% | 0.427 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 136.2 | 169.7 | -166.1 | 0 | 0 | 0 | 0 | 110 | P194 D196 E279 | P194-S277 WeakPolarHBondContact O-CB 3.47Å; P194-S277 PolarHBondContact O-OG 2.82Å; D196-S277 VanDerWaalsContact OD1-CB 3.25Å; D196-S277 WeakPolarHBondContact OD1-CB 3.28Å; D196-S277 PolarHBondContact OD1-N 2.98Å; S277-E279 VanDerWaalsContact C-N 3.29Å; S277-E279 PolarHBondContact O-N 2.83Å |
| 278 | G | 89.6 | Confident | 95.6 | Very high | 36 Ų | 36 | 46.7 Ų | 46.7 | 37% | 0.371 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | -8.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | G233 R276 | G233-G278 PolarHBondContact N-O 3.21Å; R276-G278 PolarHBondContact O-N 2.91Å |
| 279 | E | 93.8 | Very high | 95.4 | Very high | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.019 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 155.6 | 166.1 | -62.8 | 177.3 | 167.9 | 0 | 0 | 110.7 | A231 Y235 L275 R276 S277 | A231-E279 WeakPolarHBondContact O-CA 3.39Å; Y235-E279 WeakPolarHBondContact CD2-OE1 3.33Å; Y235-E279 WeakPolarHBondContact CE2-OE1 3.3Å; L275-E279 WeakPolarHBondContact CA-OE2 3.2Å; R276-E279 HydrophobicContact CB-CG 4.21Å; R276-E279 IonicContact CZ-OE1 2.8Å; R276-E279 VanDerWaalsContact CZ-OE1 3.3Å; R276-E279 PolarHBondContact N-OE2 2.91Å; R276-E279 IonicContact NE-OE1 3.73Å; R276-E279 PolarHBondContact NE-OE1 2.82Å; R276-E279 IonicContact NH2-OE1 3.61Å; R276-E279 PolarHBondContact NH2-OE1 3.17Å; R276-E279 VanDerWaalsContact O-CB 3.25Å; R276-E279 WeakPolarHBondContact O-CB 3.36Å; R276-E279 WeakPolarHBondContact O-CG 3.35Å; R276-E279 PolarHBondContact O-N 2.93Å; S277-E279 VanDerWaalsContact C-N 3.29Å; S277-E279 PolarHBondContact O-N 2.83Å |
| 280 | R | 94.6 | Very high | 95.2 | Very high | 74 Ų | 74 | 51 Ų | 51 | 28% | 0.279 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 131.3 | -178.1 | -63.9 | -58.2 | -167.4 | -121.2 | 8.9 | 110 | D189 L191 R230 A231 Y282 | D189-R280 WeakPolarHBondContact O-CB 3.27Å; D189-R280 WeakPolarHBondContact O-CD 3.39Å; D189-R280 WeakPolarHBondContact O-CG 3.45Å; L191-R280 CarbonylContact O-C 3.59Å; L191-R280 WeakPolarHBondContact O-CA 3.16Å; R230-R280 CarbonylContact C-O 3.55Å; R230-R280 WeakPolarHBondContact CA-O 2.98Å; A231-R280 PolarHBondContact N-O 3.34Å; A231-R280 PolarHBondContact O-N 3.39Å; R280-Y282 HydrophobicContact CB-CD2 4.39Å; R280-Y282 HydrophobicContact CB-CE2 3.42Å; R280-Y282 VanDerWaalsContact CB-CE2 3.42Å; R280-Y282 VanDerWaalsContact CB-OH 3.24Å; R280-Y282 WeakPolarHBondContact CB-OH 3.31Å; R280-Y282 WeakPolarHBondContact O-CE2 3.05Å |
| 281 | V | 96.6 | Very high | 95 | Very high | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 130.4 | 177.9 | -178.4 | 0 | 0 | 0 | 0 | 110.1 | L191 L201 L228 Y229 L275 | L191-V281 HydrophobicContact CB-CB 4.32Å; L191-V281 PolarHBondContact N-O 2.68Å; L191-V281 PolarHBondContact O-N 3.18Å; L201-V281 HydrophobicContact CD1-CG1 4.35Å; L201-V281 HydrophobicContact CD1-CG2 4.48Å; L228-V281 HydrophobicContact CD2-CG1 4.26Å; Y229-V281 CarbonylContact O-C 3.49Å; Y229-V281 VanDerWaalsContact O-CA 3.27Å; Y229-V281 WeakPolarHBondContact O-CA 3.41Å; L275-V281 HydrophobicContact CD1-CG2 3.9Å; L275-V281 HydrophobicContact CD2-CG2 4.26Å |
| 282 | Y | 94.4 | Very high | 94.9 | Very high | 72 Ų | 72 | 49 Ų | 49 | 28% | 0.282 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 148.8 | -178.4 | -53.2 | -92.7 | 0 | 0 | 0 | 111.2 | D189 L228 Y229 A231 R280 | D189-Y282 VanDerWaalsContact O-CE1 3.26Å; D189-Y282 WeakPolarHBondContact O-CE1 3.21Å; D189-Y282 PolarHBondContact O-OH 3.4Å; L228-Y282 CarbonylContact C-O 3.49Å; L228-Y282 WeakPolarHBondContact CA-O 3.38Å; Y229-Y282 PolarHBondContact N-O 3.08Å; Y229-Y282 PolarHBondContact O-N 3.02Å; A231-Y282 HydrophobicContact CB-CE2 3.9Å; R280-Y282 HydrophobicContact CB-CD2 4.39Å; R280-Y282 HydrophobicContact CB-CE2 3.42Å; R280-Y282 VanDerWaalsContact CB-CE2 3.42Å; R280-Y282 VanDerWaalsContact CB-OH 3.24Å; R280-Y282 WeakPolarHBondContact CB-OH 3.31Å; R280-Y282 WeakPolarHBondContact O-CE2 3.05Å |
| 283 | V | 95.9 | Very high | 94.6 | Very high | 25 Ų | 25 | 45.2 Ų | 45.2 | 15% | 0.152 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 128.3 | 170.7 | -162.8 | 0 | 0 | 0 | 0 | 109.4 | W170 A227 L228 I285 F300 | W170-V283 HydrophobicContact CH2-CG1 4.41Å; W170-V283 HydrophobicContact CH2-CG2 4.2Å; W170-V283 HydrophobicContact CZ2-CB 3.63Å; W170-V283 HydrophobicContact CZ2-CG1 3.85Å; W170-V283 HydrophobicContact CZ2-CG2 3.57Å; A227-V283 CarbonylContact O-C 3.49Å; A227-V283 WeakPolarHBondContact O-CA 3.47Å; L228-V283 HydrophobicContact CD2-CB 4.31Å; L228-V283 HydrophobicContact CD2-CG1 4.37Å; L228-V283 HydrophobicContact CD2-CG2 3.69Å; V283-I285 HydrophobicContact CG1-CD1 4.18Å; V283-I285 HydrophobicContact CG1-CG1 4Å; V283-F300 HydrophobicContact CG2-CB 3.99Å; V283-F300 HydrophobicContact CG2-CD1 3.46Å; V283-F300 VanDerWaalsContact CG2-CD1 3.46Å; V283-F300 HydrophobicContact CG2-CD2 3.57Å; V283-F300 HydrophobicContact CG2-CE1 3.68Å; V283-F300 HydrophobicContact CG2-CE2 3.8Å; V283-F300 HydrophobicContact CG2-CG 3.37Å; V283-F300 HydrophobicContact CG2-CZ 3.84Å |
| 284 | N | 95.2 | Very high | 94.3 | Very high | 80 Ų | 80 | 50.3 Ų | 50.3 | 43% | 0.428 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 130.9 | 167.7 | -168 | -58.1 | 0 | 0 | 0 | 109.1 | S226 A227 Y229 | S226-N284 CarbonylContact C-O 3.56Å; S226-N284 VanDerWaalsContact CA-O 3.26Å; S226-N284 WeakPolarHBondContact CA-O 3.31Å; A227-N284 PolarHBondContact N-O 3.45Å; A227-N284 PolarHBondContact O-N 2.8Å; Y229-N284 HydrophobicContact CD2-CB 3.96Å; Y229-N284 HydrophobicContact CE2-CB 3.55Å |
| 285 | I | 96.4 | Very high | 94 | Very high | 22 Ų | 22 | 52.9 Ų | 52.9 | 11% | 0.113 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 129.1 | -178.8 | -67.7 | 167.9 | 0 | 0 | 0 | 108.4 | L168 W170 V205 Y207 V283 V291 | L168-I285 HydrophobicContact CD2-CD1 3.43Å; L168-I285 VanDerWaalsContact CD2-CD1 3.43Å; W170-I285 HydrophobicContact CH2-CD1 4.38Å; W170-I285 HydrophobicContact CZ2-CD1 4.01Å; V205-I285 HydrophobicContact CG1-CD1 4.01Å; V205-I285 HydrophobicContact CG1-CG1 4.49Å; V205-I285 HydrophobicContact CG1-CG2 4.46Å; V205-I285 HydrophobicContact CG2-CD1 3.83Å; V205-I285 HydrophobicContact CG2-CG1 4.11Å; Y207-I285 HydrophobicContact CE1-CG2 3.99Å; V283-I285 HydrophobicContact CG1-CD1 4.18Å; V283-I285 HydrophobicContact CG1-CG1 4Å; I285-V291 HydrophobicContact CD1-CG2 4.48Å; I285-V291 HydrophobicContact CG2-CG2 3.89Å |
| 286 | S | 95.7 | Very high | 93.8 | Very high | 41 Ų | 41 | 54.6 Ų | 54.6 | 29% | 0.287 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -71.2 | -32.1 | -174.8 | 63.5 | 0 | 0 | 0 | 0 | 114.2 | R225 | R225-S286 PolarHBondContact N-OG 3.04Å; R225-S286 PolarHBondContact O-N 2.88Å; R225-S286 PolarHBondContact O-OG 2.86Å |
| 287 | H | 95.1 | Very high | 93.9 | Very high | 58 Ų | 58 | 55.7 Ų | 55.7 | 27% | 0.269 | 29% | 0.291 | S | S | . | . | trans | -130.5 | 70 | -177.8 | -61.4 | 78.1 | 0 | 0 | 0 | 110.9 | T223 L224 D289 M290 | T223-H287 PolarHBondContact O-CE1 3.39Å; L224-H287 HydrophobicContact CD2-CB 4.06Å; H287-D289 PolarHBondContact O-N 2.74Å; H287-M290 HydrophobicContact CB-CB 4.21Å; H287-M290 HydrophobicContact CB-CG 4.1Å; H287-M290 HydrophobicContact CB-SD 3.87Å; H287-M290 PolarHBondContact O-N 3.11Å; H287-M290 VanDerWaalsContact O-N 3.09Å | ||
| 288 | P | 94.8 | Very high | 94.2 | Very high | 51 Ų | 51 | 53 Ų | 53 | 33% | 0.331 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -60.7 | -31 | -176 | 24.9 | -34 | 0 | 0 | 0 | 112.9 | L168 M290 V291 | L168-P288 HydrophobicContact CB-CB 4.24Å; L168-P288 HydrophobicContact CD2-CB 4.49Å; P288-M290 PolarHBondContact O-N 3.43Å; P288-M290 VanDerWaalsContact O-N 3.14Å; P288-V291 WeakPolarHBondContact O-CB 3.3Å; P288-V291 PolarHBondContact O-N 2.96Å |
| 289 | D | 93 | Very high | 94.6 | Very high | 133 Ų | 133 | 53.7 Ų | 53.7 | 71% | 0.711 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -67.1 | -14.1 | 178.8 | -59.4 | -36.7 | 0 | 0 | 0 | 114.2 | H287 | H287-D289 PolarHBondContact O-N 2.74Š|
| 290 | M | 94.1 | Very high | 94.8 | Very high | 41 Ų | 41 | 53.6 Ų | 53.6 | 20% | 0.202 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -104.2 | -0.4 | -178.2 | -57.9 | -177.6 | 69.4 | 0 | 0 | 112.4 | Y207 R208 L222 W263 H287 P288 | Y207-M290 CarbonylContact C-O 3.59Å; Y207-M290 WeakPolarHBondContact CA-O 3.38Å; Y207-M290 HydrophobicContact CD1-CB 4.29Å; R208-M290 PolarHBondContact N-O 3.41Å; L222-M290 HydrophobicContact CD1-CE 3.91Å; L222-M290 HydrophobicContact CD1-SD 4.42Å; W263-M290 HydrophobicContact CH2-CE 3.3Å; W263-M290 HydrophobicContact CZ2-CE 3.23Å; H287-M290 HydrophobicContact CB-CB 4.21Å; H287-M290 HydrophobicContact CB-CG 4.1Å; H287-M290 HydrophobicContact CB-SD 3.87Å; H287-M290 PolarHBondContact O-N 3.11Å; H287-M290 VanDerWaalsContact O-N 3.09Å; P288-M290 PolarHBondContact O-N 3.43Å; P288-M290 VanDerWaalsContact O-N 3.14Å |
| 291 | V | 96.1 | Very high | 95 | Very high | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.024 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -68.5 | 134.7 | -177.4 | 171.9 | 0 | 0 | 0 | 0 | 110.4 | L168 V205 G206 Y207 I285 P288 S293 T298 | L168-V291 HydrophobicContact CD1-CB 4.36Å; L168-V291 HydrophobicContact CD1-CG1 3.79Å; L168-V291 HydrophobicContact CD2-CB 4.11Å; L168-V291 HydrophobicContact CD2-CG1 4Å; L168-V291 HydrophobicContact CD2-CG2 3.87Å; V205-V291 HydrophobicContact CG1-CG1 4.19Å; V205-V291 HydrophobicContact CG1-CG2 3.7Å; G206-V291 CarbonylContact O-C 3.58Å; G206-V291 WeakPolarHBondContact O-CA 3.4Å; Y207-V291 HydrophobicContact CD1-CG2 4.22Å; Y207-V291 HydrophobicContact CE1-CG2 3.97Å; I285-V291 HydrophobicContact CD1-CG2 4.48Å; I285-V291 HydrophobicContact CG2-CG2 3.89Å; P288-V291 WeakPolarHBondContact O-CB 3.3Å; P288-V291 PolarHBondContact O-N 2.96Å; V291-S293 PolarHBondContact O-N 3.39Å; V291-T298 HydrophobicContact CG1-CG2 3.81Å; V291-T298 WeakPolarHBondContact CG1-OG1 3.16Å |
| 292 | D | 94.9 | Very high | 95.1 | Very high | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | trans | -85.9 | 98.5 | 171.3 | -165 | -1.9 | 0 | 0 | 0 | 108.5 | G206 R208 R294 K297 T298 | G206-D292 PolarHBondContact O-N 2.91Å; R208-D292 HydrophobicContact CG-CB 4.24Å; D292-R294 PolarHBondContact O-N 2.96Å; D292-R294 WeakPolarHBondContact OD1-CB 3.24Å; D292-R294 VanDerWaalsContact OD1-CG 3.24Å; D292-R294 WeakPolarHBondContact OD1-CG 3.38Å; D292-R294 IonicContact OD1-CZ 3.24Å; D292-R294 PolarHBondContact OD1-N 3.44Å; D292-R294 IonicContact OD1-NE 2.68Å; D292-R294 PolarHBondContact OD1-NE 3.38Å; D292-R294 IonicContact OD1-NH2 3.34Å; D292-R294 IonicContact OD2-CZ 2.73Å; D292-R294 IonicContact OD2-NE 3.72Å; D292-R294 PolarHBondContact OD2-NE 2.91Å; D292-R294 IonicContact OD2-NH2 3.59Å; D292-R294 PolarHBondContact OD2-NH2 3.27Å; D292-K297 HydrophobicContact CB-CB 4.1Å; D292-K297 HydrophobicContact CB-CG 4.43Å; D292-K297 VanDerWaalsContact O-CB 3.27Å; D292-K297 WeakPolarHBondContact O-CB 3.16Å; D292-T298 PolarHBondContact O-OG1 3.45Å | ||
| 293 | S | 92 | Very high | 95.2 | Very high | 39 Ų | 39 | 49.2 Ų | 49.2 | 27% | 0.273 | 25% | 0.254 | S | S | . | . | trans | -83.9 | 10.2 | 177 | 58.4 | 0 | 0 | 0 | 0 | 113.3 | V291 | V291-S293 PolarHBondContact O-N 3.39Š| ||
| 294 | R | 91.3 | Very high | 95.3 | Very high | 122 Ų | 122 | 49.3 Ų | 49.3 | 46% | 0.46 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -63.5 | 147.5 | 171.2 | -69.8 | -178.6 | -69.3 | 174.3 | 3.4 | 109.7 | D292 G296 K297 | D292-R294 PolarHBondContact O-N 2.96Å; D292-R294 WeakPolarHBondContact OD1-CB 3.24Å; D292-R294 VanDerWaalsContact OD1-CG 3.24Å; D292-R294 WeakPolarHBondContact OD1-CG 3.38Å; D292-R294 IonicContact OD1-CZ 3.24Å; D292-R294 PolarHBondContact OD1-N 3.44Å; D292-R294 IonicContact OD1-NE 2.68Å; D292-R294 PolarHBondContact OD1-NE 3.38Å; D292-R294 IonicContact OD1-NH2 3.34Å; D292-R294 IonicContact OD2-CZ 2.73Å; D292-R294 IonicContact OD2-NE 3.72Å; D292-R294 PolarHBondContact OD2-NE 2.91Å; D292-R294 IonicContact OD2-NH2 3.59Å; D292-R294 PolarHBondContact OD2-NH2 3.27Å; R294-G296 PolarHBondContact O-N 3.4Å; R294-K297 HydrophobicContact CB-CG 4.13Å; R294-K297 VanDerWaalsContact O-CB 3.27Å; R294-K297 WeakPolarHBondContact O-CB 3.38Å; R294-K297 WeakPolarHBondContact O-CG 3.21Å; R294-K297 PolarHBondContact O-N 2.93Å |
| 295 | R | 89.8 | Confident | 95.3 | Very high | 159 Ų | 159 | 49.1 Ų | 49.1 | 60% | 0.6 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.3 | 129.2 | -179.1 | -165.6 | 176.7 | -174.8 | -80.3 | 3.8 | 112.1 | E176 K297 | E176-R295 VanDerWaalsContact CD-NH1 3.28Å; E176-R295 VanDerWaalsContact CG-NH2 3.29Å; E176-R295 IonicContact OE1-CZ 2.95Å; E176-R295 IonicContact OE1-NH1 2.71Å; E176-R295 PolarHBondContact OE1-NH1 3.12Å; E176-R295 IonicContact OE1-NH2 2.68Å; E176-R295 PolarHBondContact OE1-NH2 3.49Å; E176-R295 IonicContact OE2-CZ 3.52Å; E176-R295 IonicContact OE2-NE 3.98Å; E176-R295 IonicContact OE2-NH1 3.41Å; E176-R295 PolarHBondContact OE2-NH1 3.46Å; E176-R295 IonicContact OE2-NH2 3.78Å; R295-K297 VanDerWaalsContact C-N 3.28Å; R295-K297 PolarHBondContact O-N 3.45Å |
| 296 | G | 91.2 | Very high | 94.6 | Very high | 41 Ų | 41 | 53.1 Ų | 53.1 | 42% | 0.423 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | 5.5 | 178 | 0 | 0 | 0 | 0 | 0 | 116.3 | R294 | R294-G296 PolarHBondContact O-N 3.4Š|
| 297 | K | 95.9 | Very high | 94.5 | Very high | 99 Ų | 99 | 53.7 Ų | 53.7 | 43% | 0.43 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -33 | 179.2 | -63.7 | -60.1 | -172.8 | -177.6 | 0 | 113.8 | H204 G206 D292 R294 R295 | H204-K297 PolarHBondContact CE1-O 3.12Å; H204-K297 PolarHBondContact ND1-O 3.16Å; G206-K297 PolarHBondContact N-O 2.92Å; D292-K297 HydrophobicContact CB-CB 4.1Å; D292-K297 HydrophobicContact CB-CG 4.43Å; D292-K297 VanDerWaalsContact O-CB 3.27Å; D292-K297 WeakPolarHBondContact O-CB 3.16Å; R294-K297 HydrophobicContact CB-CG 4.13Å; R294-K297 VanDerWaalsContact O-CB 3.27Å; R294-K297 WeakPolarHBondContact O-CB 3.38Å; R294-K297 WeakPolarHBondContact O-CG 3.21Å; R294-K297 PolarHBondContact O-N 2.93Å; R295-K297 VanDerWaalsContact C-N 3.28Å; R295-K297 PolarHBondContact O-N 3.45Å |
| 298 | T | 97.8 | Very high | 94.5 | Very high | 4 Ų | 4 | 53.5 Ų | 53.5 | 3% | 0.025 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -135.4 | 121.7 | -175.5 | -60.5 | 0 | 0 | 0 | 0 | 109.9 | G160 W170 H204 V205 G206 V291 D292 | G160-T298 PolarHBondContact N-O 3.42Å; W170-T298 HydrophobicContact CH2-CG2 3.91Å; W170-T298 HydrophobicContact CZ3-CG2 3.97Å; H204-T298 CarbonylContact O-C 3.58Å; H204-T298 VanDerWaalsContact O-CA 3.28Å; H204-T298 WeakPolarHBondContact O-CA 3.46Å; V205-T298 HydrophobicContact CG1-CG2 4.18Å; V205-T298 HydrophobicContact CG2-CG2 4.42Å; G206-T298 PolarHBondContact N-OG1 2.91Å; V291-T298 HydrophobicContact CG1-CG2 3.81Å; V291-T298 WeakPolarHBondContact CG1-OG1 3.16Å; D292-T298 PolarHBondContact O-OG1 3.45Å |
| 299 | F | 97.8 | Very high | 94.4 | Very high | 51 Ų | 51 | 53.6 Ų | 53.6 | 22% | 0.224 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 157 | -179.2 | 54.3 | -95.5 | 0 | 0 | 0 | 111.6 | H157 L158 I159 Y202 H204 | H157-F299 AromaticContact CE1-CD2 3.59Å; H157-F299 AromaticContact CE1-CG 3.65Å; L158-F299 CarbonylContact O-C 3.58Å; L158-F299 WeakPolarHBondContact O-CA 3.41Å; L158-F299 VanDerWaalsContact O-CB 3.24Å; L158-F299 WeakPolarHBondContact O-CB 3.49Å; I159-F299 HydrophobicContact CG2-CB 4.44Å; Y202-F299 HydrophobicContact CD2-CD2 4.08Å; Y202-F299 HydrophobicContact CD2-CE2 4.13Å; Y202-F299 AromaticContact CE2-CD2 3.94Å; Y202-F299 HydrophobicContact CE2-CD2 3.94Å; Y202-F299 HydrophobicContact CE2-CE2 4.25Å; H204-F299 HydrophobicContact CB-CD1 4.36Å; H204-F299 HydrophobicContact CB-CD2 4.09Å; H204-F299 HydrophobicContact CB-CE1 3.9Å; H204-F299 HydrophobicContact CB-CE2 3.62Å; H204-F299 HydrophobicContact CB-CG 4.45Å; H204-F299 HydrophobicContact CB-CZ 3.51Å; H204-F299 AromaticContact CG-CZ 3.94Å; H204-F299 PolarHBondContact N-O 3.11Å; H204-F299 PolarHBondContact O-N 3.44Å; H204-F299 VanDerWaalsContact O-O 3.05Å |
| 300 | F | 98.1 | Very high | 94.5 | Very high | 3 Ų | 3 | 48.9 Ų | 48.9 | 1% | 0.013 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 159.4 | 166.8 | 84.2 | -76.2 | 0 | 0 | 0 | 110 | L158 W170 F185 L191 Y202 C203 L228 V283 | L158-F300 HydrophobicContact CB-CD1 3.84Å; L158-F300 HydrophobicContact CB-CE1 3.58Å; L158-F300 HydrophobicContact CB-CZ 4.27Å; L158-F300 HydrophobicContact CD1-CD1 4.41Å; L158-F300 HydrophobicContact CD1-CE1 3.92Å; L158-F300 HydrophobicContact CD1-CE2 4.06Å; L158-F300 HydrophobicContact CD1-CZ 3.72Å; L158-F300 HydrophobicContact CD2-CE1 3.84Å; L158-F300 HydrophobicContact CD2-CZ 3.89Å; L158-F300 HydrophobicContact CG-CE1 3.99Å; L158-F300 HydrophobicContact CG-CZ 4.19Å; L158-F300 PolarHBondContact N-O 3.47Å; L158-F300 PolarHBondContact O-N 3.18Å; W170-F300 HydrophobicContact CB-CE1 4.35Å; W170-F300 AromaticContact CD2-CD1 3.67Å; W170-F300 HydrophobicContact CD2-CD1 3.67Å; W170-F300 AromaticContact CD2-CE1 3.41Å; W170-F300 HydrophobicContact CD2-CE1 3.41Å; W170-F300 VanDerWaalsContact CD2-CE1 3.41Å; W170-F300 AromaticContact CE2-CD1 3.86Å; W170-F300 AromaticContact CE2-CE1 3.71Å; W170-F300 AromaticContact CE3-CD1 3.46Å; W170-F300 HydrophobicContact CE3-CD1 3.46Å; W170-F300 VanDerWaalsContact CE3-CD1 3.46Å; W170-F300 AromaticContact CE3-CE1 3.65Å; W170-F300 HydrophobicContact CE3-CE1 3.65Å; W170-F300 HydrophobicContact CG-CD1 4.45Å; W170-F300 AromaticContact CG-CE1 3.74Å; W170-F300 HydrophobicContact CG-CE1 3.74Å; W170-F300 AromaticContact CH2-CD1 3.69Å; W170-F300 HydrophobicContact CH2-CD1 3.69Å; W170-F300 HydrophobicContact CH2-CE1 4.39Å; W170-F300 HydrophobicContact CH2-CG 4.49Å; W170-F300 AromaticContact CZ2-CD1 3.89Å; W170-F300 HydrophobicContact CZ2-CD1 3.89Å; W170-F300 HydrophobicContact CZ2-CE1 4.21Å; W170-F300 AromaticContact CZ3-CD1 3.49Å; W170-F300 HydrophobicContact CZ3-CD1 3.49Å; W170-F300 VanDerWaalsContact CZ3-CD1 3.49Å; W170-F300 HydrophobicContact CZ3-CE1 4.14Å; F185-F300 HydrophobicContact CE2-CZ 4.41Å; L191-F300 HydrophobicContact CB-CE2 4.09Å; L191-F300 HydrophobicContact CB-CZ 4.31Å; L191-F300 HydrophobicContact CD2-CE2 4.07Å; Y202-F300 CarbonylContact O-C 3.58Å; Y202-F300 VanDerWaalsContact O-CA 3.25Å; Y202-F300 WeakPolarHBondContact O-CA 3.18Å; Y202-F300 WeakPolarHBondContact O-CB 3.32Å; C203-F300 HydrophobicContact CB-CB 4.05Å; L228-F300 HydrophobicContact CD2-CD2 4.09Å; V283-F300 HydrophobicContact CG2-CB 3.99Å; V283-F300 HydrophobicContact CG2-CD1 3.46Å; V283-F300 VanDerWaalsContact CG2-CD1 3.46Å; V283-F300 HydrophobicContact CG2-CD2 3.57Å; V283-F300 HydrophobicContact CG2-CE1 3.68Å; V283-F300 HydrophobicContact CG2-CE2 3.8Å; V283-F300 HydrophobicContact CG2-CG 3.37Å; V283-F300 HydrophobicContact CG2-CZ 3.84Å |
| 301 | G | 98.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171 | -178.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114 | A156 L201 Y202 | A156-G301 CarbonylContact O-C 3.51Å; A156-G301 WeakPolarHBondContact O-CA 3.49Å; L201-G301 WeakPolarHBondContact CA-O 3.23Å; Y202-G301 WeakPolarHBondContact CD1-O 3.42Å; Y202-G301 VanDerWaalsContact CE1-C 3.42Å; Y202-G301 PolarHBondContact N-O 2.71Å; Y202-G301 PolarHBondContact O-N 3.24Å |
| 302 | A | 98.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 139.7 | -177 | 0 | 0 | 0 | 0 | 0 | 109.6 | A155 A156 L191 L193 Y200 L201 | A155-A302 CarbonylContact C-O 3.58Å; A155-A302 VanDerWaalsContact CA-O 3.26Å; A155-A302 WeakPolarHBondContact CA-O 3.22Å; A156-A302 PolarHBondContact N-O 3.27Å; A156-A302 PolarHBondContact O-N 3.04Å; L191-A302 HydrophobicContact CD2-CB 3.93Å; L193-A302 HydrophobicContact CD1-CB 3.55Å; L193-A302 HydrophobicContact CD2-CB 4.32Å; L193-A302 HydrophobicContact CG-CB 4.49Å; Y200-A302 WeakPolarHBondContact O-CA 3.49Å; L201-A302 HydrophobicContact CD2-CB 3.32Å |
| 303 | V | 98.1 | Very high | 94.4 | Very high | 56 Ų | 56 | 55.9 Ų | 55.9 | 34% | 0.339 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 128.9 | 171.6 | -175.6 | 0 | 0 | 0 | 0 | 108.3 | A155 Y199 Y200 Y202 | A155-V303 HydrophobicContact CB-CB 4.47Å; A155-V303 HydrophobicContact CB-CG1 4.26Å; A155-V303 HydrophobicContact CB-CG2 4.17Å; Y199-V303 CarbonylContact C-O 3.54Å; Y199-V303 WeakPolarHBondContact CA-O 3.44Å; Y200-V303 PolarHBondContact N-O 3.4Å; Y200-V303 PolarHBondContact O-N 3.08Å; Y202-V303 HydrophobicContact CE1-CG2 4.35Å |
| 304 | M | 97.6 | Very high | 94.6 | Very high | 28 Ų | 28 | 57.2 Ų | 57.2 | 14% | 0.138 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 139.3 | 175.7 | -169.6 | 168.5 | 171.7 | 0 | 0 | 110.3 | L153 P154 L195 Y199 | L153-M304 HydrophobicContact CB-CB 4.21Å; L153-M304 HydrophobicContact CD2-SD 4.34Å; P154-M304 HydrophobicContact CG-SD 4.1Å; P154-M304 WeakPolarHBondContact O-CB 3.45Å; P154-M304 PolarHBondContact O-N 2.85Å; L195-M304 HydrophobicContact CB-CE 4.5Å; L195-M304 HydrophobicContact CB-SD 4.16Å; L195-M304 HydrophobicContact CD1-SD 4.1Å; Y199-M304 VanDerWaalsContact CD1-CA 3.42Å; Y199-M304 HydrophobicContact CD1-CB 3.73Å; Y199-M304 HydrophobicContact CD1-CG 4.34Å; Y199-M304 HydrophobicContact CE1-CB 3.45Å; Y199-M304 VanDerWaalsContact CE1-CB 3.45Å; Y199-M304 HydrophobicContact CE1-CG 3.95Å; Y199-M304 HydrophobicContact CE1-SD 4.37Å |
| 305 | V | 95.3 | Very high | 94.9 | Very high | 76 Ų | 76 | 51.8 Ų | 51.8 | 46% | 0.461 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 117 | 178.2 | -176.6 | 0 | 0 | 0 | 0 | 108.1 | V198 L272 | V198-V305 PolarHBondContact O-N 3Å; L272-V305 HydrophobicContact CD2-CG2 3.81Å |
| 306 | G | 80.5 | Confident | 95.3 | Very high | 105 Ų | 105 | 42.1 Ų | 42.1 | 100% | 1.082 | 29% | 0.285 | S | S | * | . | trans | 113.1 | 0 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 |
Retrieved 306 of 306 residues in 181 ms
(Link to these results)