| 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 | 61.6 | Low | 73.8 | Confident | 205 Ų | 205 | 103.4 Ų | 103.4 | 100% | 1.01 | 62% | 0.615 | S | S | * | * | 0 | -51.5 | 0 | -58.7 | -47.4 | 175.8 | 0 | 0 | 112.1 | T3 A4 A5 | M1-T3 VanDerWaalsContact C-N 3.32Å; M1-T3 PolarHBondContact O-N 3.48Å; M1-A4 PolarHBondContact O-N 3.04Å; M1-A5 PolarHBondContact O-N 2.95Å | |||
| 2 | L | 68.4 | Low | 73.6 | Confident | 143 Ų | 143 | 105.2 Ų | 105.2 | 75% | 0.749 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -60.5 | -38.5 | 177.5 | -139.3 | 78.4 | 0 | 0 | 0 | 113.4 | A4 A5 L6 | L2-A4 PolarHBondContact O-N 3.19Å; L2-A5 PolarHBondContact O-N 3.47Å; L2-L6 WeakPolarHBondContact O-CG 3.3Å; L2-L6 PolarHBondContact O-N 3.06Å; L2-L6 VanDerWaalsContact O-N 3.13Å |
| 3 | T | 70.1 | Confident | 73.3 | Confident | 101 Ų | 101 | 108.2 Ų | 108.2 | 62% | 0.62 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -65.4 | -37.4 | -179.2 | 49.7 | 0 | 0 | 0 | 0 | 113.3 | M1 L6 L7 | M1-T3 VanDerWaalsContact C-N 3.32Å; M1-T3 PolarHBondContact O-N 3.48Å; T3-L6 PolarHBondContact O-N 3.39Å; T3-L7 VanDerWaalsContact O-CG 3.29Å; T3-L7 WeakPolarHBondContact O-CG 3.48Å; T3-L7 PolarHBondContact O-N 3.12Å; T3-L7 VanDerWaalsContact O-N 3.09Å |
| 4 | A | 73 | Confident | 73 | Confident | 61 Ų | 61 | 105.9 Ų | 105.9 | 50% | 0.504 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -68.5 | -38.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | M1 L2 L7 S8 | M1-A4 PolarHBondContact O-N 3.04Å; L2-A4 PolarHBondContact O-N 3.19Å; A4-L7 PolarHBondContact O-N 3.17Å; A4-S8 PolarHBondContact O-N 3.5Å |
| 5 | A | 74.1 | Confident | 72.8 | Confident | 64 Ų | 64 | 106.5 Ų | 106.5 | 53% | 0.529 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -65.8 | -40.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | M1 L2 S8 C9 | M1-A5 PolarHBondContact O-N 2.95Å; L2-A5 PolarHBondContact O-N 3.47Å; A5-S8 PolarHBondContact O-N 3.31Å; A5-C9 WeakPolarHBondContact O-CB 3.38Å; A5-C9 PolarHBondContact O-N 3.37Å |
| 6 | L | 77.1 | Confident | 71.7 | Confident | 117 Ų | 117 | 106.6 Ų | 106.6 | 61% | 0.613 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -66.5 | -40.5 | 177 | -66.7 | 173.7 | 0 | 0 | 0 | 112.2 | L2 T3 C9 A10 | L2-L6 WeakPolarHBondContact O-CG 3.3Å; L2-L6 PolarHBondContact O-N 3.06Å; L2-L6 VanDerWaalsContact O-N 3.13Å; T3-L6 PolarHBondContact O-N 3.39Å; L6-C9 PolarHBondContact O-N 2.93Å; L6-A10 PolarHBondContact O-N 2.92Å |
| 7 | L | 77.9 | Confident | 71 | Confident | 130 Ų | 130 | 106.1 Ų | 106.1 | 68% | 0.681 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -65.4 | -40 | 176.2 | -70.4 | 171.6 | 0 | 0 | 0 | 112.2 | T3 A4 C9 L11 | T3-L7 VanDerWaalsContact O-CG 3.29Å; T3-L7 WeakPolarHBondContact O-CG 3.48Å; T3-L7 PolarHBondContact O-N 3.12Å; T3-L7 VanDerWaalsContact O-N 3.09Å; A4-L7 PolarHBondContact O-N 3.17Å; L7-C9 VanDerWaalsContact C-N 3.33Å; L7-L11 PolarHBondContact O-N 3.3Å; L7-L11 VanDerWaalsContact O-N 3.14Å |
| 8 | S | 78.1 | Confident | 70.3 | Confident | 69 Ų | 69 | 107.4 Ų | 107.4 | 48% | 0.483 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -64.3 | -38.8 | 174.8 | -173.2 | 0 | 0 | 0 | 0 | 112.2 | A4 A5 L11 L12 | A4-S8 PolarHBondContact O-N 3.5Å; A5-S8 PolarHBondContact O-N 3.31Å; S8-L11 PolarHBondContact O-N 3.34Å; S8-L12 PolarHBondContact O-N 3.17Å |
| 9 | C | 74.3 | Confident | 69.5 | Low | 67 Ų | 67 | 112.1 Ų | 112.1 | 45% | 0.453 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -68.9 | -42.7 | 179.5 | -163.5 | 0 | 0 | 0 | 0 | 111.5 | A5 L6 L7 L11 L12 L13 | A5-C9 WeakPolarHBondContact O-CB 3.38Å; A5-C9 PolarHBondContact O-N 3.37Å; L6-C9 PolarHBondContact O-N 2.93Å; L7-C9 VanDerWaalsContact C-N 3.33Å; C9-L11 VanDerWaalsContact C-N 3.29Å; C9-L11 PolarHBondContact O-N 3.41Å; C9-L12 PolarHBondContact O-N 3.48Å; C9-L13 WeakPolarHBondContact O-CG 3.49Å; C9-L13 PolarHBondContact O-N 2.91Å |
| 10 | A | 78.8 | Confident | 68.3 | Low | 60 Ų | 60 | 109.7 Ų | 109.7 | 50% | 0.496 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -62.1 | -36.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L6 L13 A14 | L6-A10 PolarHBondContact O-N 2.92Å; A10-L13 PolarHBondContact O-N 3.23Å; A10-A14 WeakPolarHBondContact O-CB 3.3Å; A10-A14 PolarHBondContact O-N 3.23Å; A10-A14 VanDerWaalsContact O-N 3.16Å |
| 11 | L | 78 | Confident | 67.2 | Low | 120 Ų | 120 | 108.1 Ų | 108.1 | 63% | 0.628 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -67.4 | -41.2 | 177.8 | -161.7 | 73 | 0 | 0 | 0 | 112 | L7 S8 C9 L13 A14 L15 | L7-L11 PolarHBondContact O-N 3.3Å; L7-L11 VanDerWaalsContact O-N 3.14Å; S8-L11 PolarHBondContact O-N 3.34Å; C9-L11 VanDerWaalsContact C-N 3.29Å; C9-L11 PolarHBondContact O-N 3.41Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L11-L13 PolarHBondContact O-N 2.94Å; L11-A14 PolarHBondContact O-N 2.97Å; L11-L15 WeakPolarHBondContact O-CD1 3.38Å; L11-L15 PolarHBondContact O-N 3.47Å |
| 12 | L | 71.4 | Confident | 66.8 | Low | 125 Ų | 125 | 107.6 Ų | 107.6 | 65% | 0.654 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -65.1 | -35.1 | 177 | -76.3 | 162.9 | 0 | 0 | 0 | 112.8 | S8 C9 A14 | S8-L12 PolarHBondContact O-N 3.17Å; C9-L12 PolarHBondContact O-N 3.48Å; L12-A14 VanDerWaalsContact C-N 3.31Å |
| 13 | L | 70.3 | Confident | 65.4 | Low | 145 Ų | 145 | 108.8 Ų | 108.8 | 76% | 0.759 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -78.4 | -15.9 | 177.4 | -65.6 | 173.2 | 0 | 0 | 0 | 113.3 | C9 A10 L11 | C9-L13 WeakPolarHBondContact O-CG 3.49Å; C9-L13 PolarHBondContact O-N 2.91Å; A10-L13 PolarHBondContact O-N 3.23Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L11-L13 PolarHBondContact O-N 2.94Å |
| 14 | A | 68.4 | Low | 64.3 | Low | 76 Ų | 76 | 107.3 Ų | 107.3 | 63% | 0.628 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -89.8 | -10.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | A10 L11 L12 | A10-A14 WeakPolarHBondContact O-CB 3.3Å; A10-A14 PolarHBondContact O-N 3.23Å; A10-A14 VanDerWaalsContact O-N 3.16Å; L11-A14 PolarHBondContact O-N 2.97Å; L12-A14 VanDerWaalsContact C-N 3.31Å |
| 15 | L | 69.9 | Low | 62.5 | Low | 115 Ų | 115 | 111.7 Ų | 111.7 | 60% | 0.602 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -73.1 | 125.1 | 170 | -88.4 | 81.7 | 0 | 0 | 0 | 108.7 | L11 A17 | L11-L15 WeakPolarHBondContact O-CD1 3.38Å; L11-L15 PolarHBondContact O-N 3.47Å; L15-A17 PolarHBondContact O-N 3.38Å; L15-A17 VanDerWaalsContact O-N 3.13Å |
| 16 | P | 55.7 | Low | 60.7 | Low | 108 Ų | 108 | 112.8 Ų | 112.8 | 70% | 0.701 | 69% | 0.689 | S | S | * | * | trans | -60.7 | 123.7 | 175.3 | 25.4 | -30.7 | 0 | 0 | 0 | 107.8 | T18 | P16-T18 VanDerWaalsContact C-N 3.3Å; P16-T18 PolarHBondContact O-N 2.69Å | ||
| 17 | A | 60.8 | Low | 58.8 | Low | 97 Ų | 97 | 112.8 Ų | 112.8 | 80% | 0.802 | 70% | 0.696 | S | S | * | * | trans | -59.7 | 99.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 107 | L15 Q19 | L15-A17 PolarHBondContact O-N 3.38Å; L15-A17 VanDerWaalsContact O-N 3.13Å; A17-Q19 PolarHBondContact O-N 3Å | ||
| 18 | T | 58.1 | Low | 56.9 | Low | 130 Ų | 130 | 115.3 Ų | 115.3 | 80% | 0.798 | 71% | 0.71 | S | S | * | * | trans | -69.5 | 79.1 | 168.1 | 53.8 | 0 | 0 | 0 | 0 | 106.9 | P16 G20 | P16-T18 VanDerWaalsContact C-N 3.3Å; P16-T18 PolarHBondContact O-N 2.69Å; T18-G20 PolarHBondContact O-N 2.6Å | ||
| 19 | Q | 55.2 | Low | 55.3 | Low | 197 Ų | 197 | 120.8 Ų | 120.8 | 92% | 0.921 | 73% | 0.728 | S | S | * | * | trans | -70.6 | 71.6 | 155.2 | -166.6 | 168.4 | 11.1 | 0 | 0 | 106.1 | A17 | A17-Q19 PolarHBondContact O-N 3Š| ||
| 20 | G | 44 | Very low | 53.9 | Low | 63 Ų | 63 | 120.7 Ų | 120.7 | 65% | 0.649 | 74% | 0.738 | S | S | * | * | trans | -104.4 | 90.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | T18 | T18-G20 PolarHBondContact O-N 2.6Š| ||
| 21 | A | 46.5 | Very low | 52 | Low | 77 Ų | 77 | 126 Ų | 126 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | trans | 50.9 | 108.1 | 149.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | M23 | A21-M23 PolarHBondContact O-N 2.98Š| ||
| 22 | Q | 53 | Low | 50.1 | Low | 194 Ų | 194 | 131.5 Ų | 131.5 | 91% | 0.907 | 77% | 0.769 | S | S | * | * | trans | -37.8 | 107.9 | 144.6 | -63.6 | -93 | 38.9 | 0 | 0 | 109.9 | G24 | Q22-G24 PolarHBondContact O-N 3.4Š| ||
| 23 | M | 37.9 | Very low | 48.7 | Very low | 168 Ų | 168 | 136.5 Ų | 136.5 | 83% | 0.828 | 78% | 0.779 | S | S | * | * | trans | -77.3 | 84.4 | 164.1 | -118.4 | 82.2 | -170.6 | 0 | 0 | 107.4 | A21 L25 | A21-M23 PolarHBondContact O-N 2.98Å; M23-L25 PolarHBondContact O-N 3.39Å | ||
| 24 | G | 46.8 | Very low | 47.5 | Very low | 70 Ų | 70 | 134.9 Ų | 134.9 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | trans | -67.6 | 113.4 | 153.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | Q22 | Q22-G24 PolarHBondContact O-N 3.4Š| ||
| 25 | L | 36.5 | Very low | 45.9 | Very low | 154 Ų | 154 | 138.5 Ų | 138.5 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | trans | -137.6 | 97.1 | 164.3 | -118.6 | 149.6 | 0 | 0 | 0 | 108.1 | M23 | M23-L25 PolarHBondContact O-N 3.39Š| ||
| 26 | A | 36.6 | Very low | 44.5 | Very low | 86 Ų | 86 | 142.1 Ų | 142.1 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | trans | 49.7 | 134.1 | 155.3 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 27 | P | 36.4 | Very low | 43.6 | Very low | 117 Ų | 117 | 140.5 Ų | 140.5 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | trans | -69.3 | 137.9 | 171.9 | -3.7 | 19.7 | 0 | 0 | 0 | 111 | E29 | P27-E29 PolarHBondContact O-N 2.95Š| ||
| 28 | L | 38.9 | Very low | 42.7 | Very low | 184 Ų | 184 | 143.4 Ų | 143.4 | 96% | 0.963 | 80% | 0.797 | S | S | * | * | trans | -74.3 | 80.9 | 152.9 | -87.1 | -171.4 | 0 | 0 | 0 | 108.8 | ||||
| 29 | E | 44.7 | Very low | 41.6 | Very low | 183 Ų | 183 | 146.5 Ų | 146.5 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | trans | -68.9 | 127.3 | 142.6 | -96.4 | -139.6 | 104.5 | 0 | 0 | 107.7 | P27 | P27-E29 PolarHBondContact O-N 2.95Š| ||
| 30 | G | 43.3 | Very low | 41.1 | Very low | 66 Ų | 66 | 142.8 Ų | 142.8 | 68% | 0.68 | 79% | 0.793 | S | S | * | * | trans | 149 | 47.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 31 | I | 38.9 | Very low | 41 | Very low | 170 Ų | 170 | 147.9 Ų | 147.9 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | trans | -126.2 | 74 | 143.3 | -52.5 | -175 | 0 | 0 | 0 | 107.1 | R33 | I31-R33 PolarHBondContact O-N 3.23Å; I31-R33 VanDerWaalsContact O-N 3.16Å | ||
| 32 | R | 38.3 | Very low | 40.6 | Very low | 236 Ų | 236 | 151.4 Ų | 151.4 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | trans | -68.9 | 105.8 | 164.5 | -165.4 | -173.6 | -167.9 | 172.1 | 4.8 | 106.5 | P34 | R32-P34 VanDerWaalsContact O-CD 3.29Å; R32-P34 WeakPolarHBondContact O-CD 3.48Å | ||
| 33 | R | 41.8 | Very low | 40.5 | Very low | 231 Ų | 231 | 147.8 Ų | 147.8 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | trans | -62.4 | 118.8 | 163.8 | -124.3 | -175.1 | 178.3 | 150.2 | -1.8 | 107.7 | I31 | I31-R33 PolarHBondContact O-N 3.23Å; I31-R33 VanDerWaalsContact O-N 3.16Å | ||
| 34 | P | 45.4 | Very low | 40.3 | Very low | 110 Ų | 110 | 143.3 Ų | 143.3 | 71% | 0.714 | 80% | 0.797 | S | S | * | * | trans | -91.2 | 104.6 | 163.2 | 30.2 | -17.1 | 0 | 0 | 0 | 107.3 | R32 | R32-P34 VanDerWaalsContact O-CD 3.29Å; R32-P34 WeakPolarHBondContact O-CD 3.48Å | ||
| 35 | D | 35.4 | Very low | 40.2 | Very low | 153 Ų | 153 | 149 Ų | 149 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | 172 | 55.1 | 143.8 | -90.8 | -40.9 | 0 | 0 | 0 | 110.8 | ||||
| 36 | Q | 39.4 | Very low | 40.1 | Very low | 191 Ų | 191 | 145 Ų | 145 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | trans | -99.8 | 77.5 | 151 | -78.5 | -177.1 | 32.6 | 0 | 0 | 107 | L38 | Q36-L38 PolarHBondContact O-N 3.33Š| ||
| 37 | A | 36.8 | Very low | 40.4 | Very low | 74 Ų | 74 | 148.9 Ų | 148.9 | 61% | 0.612 | 81% | 0.814 | S | S | * | * | trans | -69.2 | 119.1 | 160.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | F39 | A37-F39 PolarHBondContact O-N 2.99Š| ||
| 38 | L | 43.2 | Very low | 40.8 | Very low | 158 Ų | 158 | 155.6 Ų | 155.6 | 83% | 0.827 | 82% | 0.824 | S | S | * | * | trans | -44.2 | 128.4 | 164.7 | -80.9 | 73.1 | 0 | 0 | 0 | 110.2 | Q36 | Q36-L38 PolarHBondContact O-N 3.33Š| ||
| 39 | F | 34.2 | Very low | 41 | Very low | 194 Ų | 194 | 150.5 Ų | 150.5 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | trans | -125.3 | 132.6 | 146 | -86.9 | -84.3 | 0 | 0 | 0 | 109.2 | A37 | A37-F39 PolarHBondContact O-N 2.99Š| ||
| 40 | P | 44.4 | Very low | 41 | Very low | 120 Ų | 120 | 148.2 Ų | 148.2 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | trans | -76.5 | 154.9 | -171.8 | -9.8 | 27.7 | 0 | 0 | 0 | 113.1 | ||||
| 41 | E | 42.3 | Very low | 40.8 | Very low | 170 Ų | 170 | 151.1 Ų | 151.1 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | trans | -32.8 | 162.6 | 163.1 | -79.7 | -87.8 | 116.3 | 0 | 0 | 118 | ||||
| 42 | L | 37.3 | Very low | 41.4 | Very low | 150 Ų | 150 | 152.2 Ų | 152.2 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | 106.2 | 148.9 | 148.6 | -82.7 | 145.3 | 0 | 0 | 0 | 119.3 | ||||
| 43 | P | 52.6 | Low | 41.8 | Very low | 118 Ų | 118 | 146.6 Ų | 146.6 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | -125.7 | 170.7 | -100.4 | 43.9 | -30.8 | 0 | 0 | 0 | 112.8 | |||||
| 44 | G | 32.6 | Very low | 42.5 | Very low | 74 Ų | 74 | 139.1 Ų | 139.1 | 76% | 0.763 | 77% | 0.77 | S | S | * | * | trans | 179.3 | 112.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 45 | L | 44.6 | Very low | 43 | Very low | 191 Ų | 191 | 140.1 Ų | 140.1 | 100% | 1 | 77% | 0.774 | S | S | * | * | trans | -39.4 | 142.8 | 162.8 | -84.5 | 106.9 | 0 | 0 | 0 | 113.8 | ||||
| 46 | G | 35.8 | Very low | 43.9 | Very low | 70 Ų | 70 | 135.9 Ų | 135.9 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | trans | 172.5 | 91.1 | 159.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 47 | L | 41.2 | Very low | 44.7 | Very low | 167 Ų | 167 | 131 Ų | 131 | 87% | 0.874 | 74% | 0.737 | S | S | * | * | trans | 31.2 | 117.2 | 147.1 | -89.5 | 58.9 | 0 | 0 | 0 | 119.1 | A49 | L47-A49 PolarHBondContact O-N 3.45Š| ||
| 48 | R | 46.7 | Very low | 45.6 | Very low | 257 Ų | 257 | 132.3 Ų | 132.3 | 97% | 0.97 | 73% | 0.733 | S | S | * | * | trans | -58.8 | 102.4 | 152.7 | -78.9 | -175.8 | 176.8 | -149.8 | -1.4 | 109.3 | ||||
| 49 | A | 41.5 | Very low | 46.5 | Very low | 77 Ų | 77 | 127 Ų | 127 | 64% | 0.636 | 71% | 0.712 | S | S | * | * | trans | -97.9 | 135.8 | 158.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | L47 L51 | L47-A49 PolarHBondContact O-N 3.45Å; A49-L51 PolarHBondContact O-N 3.47Å | ||
| 50 | P | 45.6 | Very low | 47.9 | Very low | 135 Ų | 135 | 123.7 Ų | 123.7 | 88% | 0.877 | 70% | 0.7 | S | S | * | * | trans | -68.6 | 96.8 | 171 | -8.1 | 23.8 | 0 | 0 | 0 | 108.1 | K52 | P50-K52 PolarHBondContact O-N 3.19Š| ||
| 51 | L | 39.9 | Very low | 49.1 | Very low | 128 Ų | 128 | 122 Ų | 122 | 67% | 0.67 | 68% | 0.681 | S | S | * | * | trans | -73.8 | 119.1 | -178.6 | -162.2 | 149.6 | 0 | 0 | 0 | 108.3 | A49 K53 | A49-L51 PolarHBondContact O-N 3.47Å; L51-K53 PolarHBondContact O-N 2.98Å | ||
| 52 | K | 49.8 | Very low | 50.5 | Low | 193 Ų | 193 | 119.1 Ų | 119.1 | 84% | 0.839 | 67% | 0.671 | S | S | * | * | trans | -62.9 | 112.8 | 170.9 | -69.7 | 175 | 177.9 | 179.7 | 0 | 107.5 | P50 T54 | P50-K52 PolarHBondContact O-N 3.19Å; K52-T54 PolarHBondContact O-N 3.02Å | ||
| 53 | K | 47.2 | Very low | 52.1 | Low | 117 Ų | 117 | 116.9 Ų | 116.9 | 51% | 0.509 | 66% | 0.659 | S | S | . | * | trans | -44.6 | 123.9 | 178 | -82.3 | 178.9 | 174 | 179.7 | 0 | 110.5 | L51 E57 L58 E61 | L51-K53 PolarHBondContact O-N 2.98Å; K53-E57 WeakPolarHBondContact CA-OE2 3.22Å; K53-L58 HydrophobicContact CB-CD1 4.07Å; K53-E61 WeakPolarHBondContact CE-OE1 3.35Å; K53-E61 WeakPolarHBondContact CE-OE2 3.41Å; K53-E61 IonicContact NZ-OE1 3.11Å; K53-E61 PolarHBondContact NZ-OE1 3.17Å; K53-E61 IonicContact NZ-OE2 3.94Å; K53-E61 PolarHBondContact NZ-OE2 3.44Å | ||
| 54 | T | 56.3 | Low | 53.3 | Low | 75 Ų | 75 | 116.3 Ų | 116.3 | 46% | 0.46 | 65% | 0.649 | S | S | . | * | trans | -82.4 | 159.7 | 174.8 | 62.3 | 0 | 0 | 0 | 0 | 109.6 | K52 A56 E57 L58 | K52-T54 PolarHBondContact O-N 3.02Å; T54-A56 PolarHBondContact O-N 3.45Å; T54-E57 PolarHBondContact O-N 2.99Å; T54-L58 PolarHBondContact O-N 3.32Å | ||
| 55 | T | 55.4 | Low | 55.4 | Low | 131 Ų | 131 | 119.1 Ų | 119.1 | 80% | 0.804 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -57.9 | -21.7 | -178.2 | 48.7 | 0 | 0 | 0 | 0 | 113.6 | A59 | T55-A59 PolarHBondContact O-N 3.41Å |
| 56 | A | 55.2 | Low | 56.8 | Low | 63 Ų | 63 | 115.6 Ų | 115.6 | 52% | 0.521 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -72.8 | -38.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | T54 A59 E60 | T54-A56 PolarHBondContact O-N 3.45Å; A56-A59 PolarHBondContact O-N 3.03Å; A56-E60 WeakPolarHBondContact O-CG 3.47Å; A56-E60 PolarHBondContact O-N 2.96Å |
| 57 | E | 55.3 | Low | 58.7 | Low | 88 Ų | 88 | 114.9 Ų | 114.9 | 41% | 0.411 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -72.2 | -31.1 | 178.5 | -64.7 | -172.3 | 121.5 | 0 | 0 | 112 | K53 T54 A59 E60 E61 | K53-E57 WeakPolarHBondContact CA-OE2 3.22Å; T54-E57 PolarHBondContact O-N 2.99Å; E57-A59 VanDerWaalsContact C-N 3.32Å; E57-E60 PolarHBondContact O-N 3.29Å; E57-E61 WeakPolarHBondContact O-CG 3.37Å; E57-E61 PolarHBondContact O-N 2.91Å |
| 58 | L | 57.3 | Low | 60.3 | Low | 102 Ų | 102 | 112.8 Ų | 112.8 | 53% | 0.534 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.6 | -34 | 172.3 | -100.6 | 106.3 | 0 | 0 | 0 | 112.8 | K53 T54 D62 | K53-L58 HydrophobicContact CB-CD1 4.07Å; T54-L58 PolarHBondContact O-N 3.32Å; L58-D62 PolarHBondContact O-N 3.16Å; L58-D62 VanDerWaalsContact O-N 3.12Å |
| 59 | A | 60.7 | Low | 61.5 | Low | 48 Ų | 48 | 103.2 Ų | 103.2 | 40% | 0.397 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -71.3 | -38.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | T55 A56 E57 D62 L63 | T55-A59 PolarHBondContact O-N 3.41Å; A56-A59 PolarHBondContact O-N 3.03Å; E57-A59 VanDerWaalsContact C-N 3.32Å; A59-D62 PolarHBondContact O-N 2.76Å; A59-L63 VanDerWaalsContact O-CG 3.3Å; A59-L63 WeakPolarHBondContact O-CG 3.29Å; A59-L63 PolarHBondContact O-N 2.63Å |
| 60 | E | 65.1 | Low | 62.9 | Low | 124 Ų | 124 | 104.3 Ų | 104.3 | 58% | 0.579 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.5 | -39.2 | 175 | -63.1 | -71 | 124.4 | 0 | 0 | 111.3 | A56 E57 L63 L64 | A56-E60 WeakPolarHBondContact O-CG 3.47Å; A56-E60 PolarHBondContact O-N 2.96Å; E57-E60 PolarHBondContact O-N 3.29Å; E60-L63 PolarHBondContact O-N 2.88Å; E60-L64 WeakPolarHBondContact O-CB 3.28Å; E60-L64 WeakPolarHBondContact O-CG 3.37Å; E60-L64 PolarHBondContact O-N 2.79Å |
| 61 | E | 68.4 | Low | 64.1 | Low | 84 Ų | 84 | 100.4 Ų | 100.4 | 39% | 0.393 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.6 | -38.6 | 175.7 | -70.8 | -175.8 | 133 | 0 | 0 | 112.5 | K53 E57 L64 Q65 | K53-E61 WeakPolarHBondContact CE-OE1 3.35Å; K53-E61 WeakPolarHBondContact CE-OE2 3.41Å; K53-E61 IonicContact NZ-OE1 3.11Å; K53-E61 PolarHBondContact NZ-OE1 3.17Å; K53-E61 IonicContact NZ-OE2 3.94Å; K53-E61 PolarHBondContact NZ-OE2 3.44Å; E57-E61 WeakPolarHBondContact O-CG 3.37Å; E57-E61 PolarHBondContact O-N 2.91Å; E61-L64 PolarHBondContact O-N 2.04Å; E61-Q65 WeakPolarHBondContact O-CB 3.42Å; E61-Q65 PolarHBondContact O-N 3.47Å |
| 62 | D | 72.5 | Confident | 65.4 | Low | 109 Ų | 109 | 101.3 Ų | 101.3 | 58% | 0.583 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.5 | -42.7 | 176.6 | -163.1 | 45.6 | 0 | 0 | 0 | 111.7 | L58 A59 L64 Q65 E66 | L58-D62 PolarHBondContact O-N 3.16Å; L58-D62 VanDerWaalsContact O-N 3.12Å; A59-D62 PolarHBondContact O-N 2.76Å; D62-L64 PolarHBondContact O-N 2.83Å; D62-Q65 WeakPolarHBondContact O-CB 3.26Å; D62-Q65 PolarHBondContact O-N 3.42Å; D62-E66 PolarHBondContact O-N 2.87Å |
| 63 | L | 71.4 | Confident | 66.1 | Low | 103 Ų | 103 | 96.3 Ų | 96.3 | 54% | 0.539 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.7 | -38 | 175.1 | -70.3 | 169.9 | 0 | 0 | 0 | 112.5 | A59 E60 A67 | A59-L63 VanDerWaalsContact O-CG 3.3Å; A59-L63 WeakPolarHBondContact O-CG 3.29Å; A59-L63 PolarHBondContact O-N 2.63Å; E60-L63 PolarHBondContact O-N 2.88Å; L63-A67 WeakPolarHBondContact O-CB 3.49Å; L63-A67 PolarHBondContact O-N 3.47Å |
| 64 | L | 76.6 | Confident | 66.8 | Low | 106 Ų | 106 | 96.1 Ų | 96.1 | 56% | 0.555 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68 | -37 | 174.8 | -71.9 | 172.2 | 0 | 0 | 0 | 111.7 | E60 E61 D62 A67 Q68 | E60-L64 WeakPolarHBondContact O-CB 3.28Å; E60-L64 WeakPolarHBondContact O-CG 3.37Å; E60-L64 PolarHBondContact O-N 2.79Å; E61-L64 PolarHBondContact O-N 2.04Å; D62-L64 PolarHBondContact O-N 2.83Å; L64-A67 PolarHBondContact O-N 3.11Å; L64-Q68 WeakPolarHBondContact O-CB 3.29Å; L64-Q68 VanDerWaalsContact O-CG 3.26Å; L64-Q68 WeakPolarHBondContact O-CG 2.89Å; L64-Q68 PolarHBondContact O-N 3.25Å |
| 65 | Q | 77.1 | Confident | 66.9 | Low | 133 Ų | 133 | 99.4 Ų | 99.4 | 62% | 0.621 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -68 | -39.7 | 176.8 | -160.1 | 118.3 | -8.4 | 0 | 0 | 111.5 | E61 D62 Q68 A69 | E61-Q65 WeakPolarHBondContact O-CB 3.42Å; E61-Q65 PolarHBondContact O-N 3.47Å; D62-Q65 WeakPolarHBondContact O-CB 3.26Å; D62-Q65 PolarHBondContact O-N 3.42Å; Q65-Q68 PolarHBondContact O-N 2.87Å; Q65-A69 PolarHBondContact O-N 2.99Å |
| 66 | E | 73.1 | Confident | 67.1 | Low | 117 Ų | 117 | 97.4 Ų | 97.4 | 55% | 0.547 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.4 | -42.9 | 174.7 | -160.3 | -179.7 | 116.9 | 0 | 0 | 111.3 | D62 Q68 A69 L70 | D62-E66 PolarHBondContact O-N 2.87Å; E66-Q68 VanDerWaalsContact C-N 3.33Å; E66-Q68 PolarHBondContact O-N 2.96Å; E66-A69 PolarHBondContact O-N 3.32Å; E66-L70 VanDerWaalsContact O-CG 3.3Å; E66-L70 WeakPolarHBondContact O-CG 3.44Å; E66-L70 PolarHBondContact O-N 3.01Å |
| 67 | A | 76.3 | Confident | 67.2 | Low | 55 Ų | 55 | 100.9 Ų | 100.9 | 46% | 0.455 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.1 | -38.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | L63 L64 L70 A71 | L63-A67 WeakPolarHBondContact O-CB 3.49Å; L63-A67 PolarHBondContact O-N 3.47Å; L64-A67 PolarHBondContact O-N 3.11Å; A67-L70 PolarHBondContact O-N 3.16Å; A67-A71 WeakPolarHBondContact O-CB 3.03Å; A67-A71 PolarHBondContact O-N 2.02Å |
| 68 | Q | 74.6 | Confident | 67.2 | Low | 124 Ų | 124 | 101.6 Ų | 101.6 | 58% | 0.579 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.5 | -42.4 | 174.2 | -74.8 | 172.5 | 10.3 | 0 | 0 | 111.7 | L64 Q65 E66 L70 A71 E72 | L64-Q68 WeakPolarHBondContact O-CB 3.29Å; L64-Q68 VanDerWaalsContact O-CG 3.26Å; L64-Q68 WeakPolarHBondContact O-CG 2.89Å; L64-Q68 PolarHBondContact O-N 3.25Å; Q65-Q68 PolarHBondContact O-N 2.87Å; E66-Q68 VanDerWaalsContact C-N 3.33Å; E66-Q68 PolarHBondContact O-N 2.96Å; Q68-L70 VanDerWaalsContact C-N 3.33Å; Q68-L70 PolarHBondContact O-N 3.48Å; Q68-A71 PolarHBondContact O-N 2.95Å; Q68-E72 WeakPolarHBondContact O-CG 3.49Å; Q68-E72 PolarHBondContact O-N 3.09Å |
| 69 | A | 71.4 | Confident | 67.4 | Low | 56 Ų | 56 | 108.4 Ų | 108.4 | 46% | 0.463 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.8 | -39.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q65 E66 V73 | Q65-A69 PolarHBondContact O-N 2.99Å; E66-A69 PolarHBondContact O-N 3.32Å; A69-V73 VanDerWaalsContact O-CG2 3.29Å; A69-V73 WeakPolarHBondContact O-CG2 3.04Å; A69-V73 PolarHBondContact O-N 3.02Å |
| 70 | L | 70.9 | Confident | 67.2 | Low | 99 Ų | 99 | 113.2 Ų | 113.2 | 52% | 0.518 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -68.1 | -37.3 | 174.8 | -67.3 | 174.1 | 0 | 0 | 0 | 112.1 | E66 A67 Q68 V73 L74 | E66-L70 VanDerWaalsContact O-CG 3.3Å; E66-L70 WeakPolarHBondContact O-CG 3.44Å; E66-L70 PolarHBondContact O-N 3.01Å; A67-L70 PolarHBondContact O-N 3.16Å; Q68-L70 VanDerWaalsContact C-N 3.33Å; Q68-L70 PolarHBondContact O-N 3.48Å; L70-V73 PolarHBondContact O-N 2.94Å; L70-L74 VanDerWaalsContact O-CG 3.28Å; L70-L74 WeakPolarHBondContact O-CG 3.41Å; L70-L74 PolarHBondContact O-N 3.34Å |
| 71 | A | 72.1 | Confident | 67.1 | Low | 54 Ų | 54 | 112.6 Ų | 112.6 | 45% | 0.446 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.2 | -42.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A67 Q68 V73 L74 D75 | A67-A71 WeakPolarHBondContact O-CB 3.03Å; A67-A71 PolarHBondContact O-N 2.02Å; Q68-A71 PolarHBondContact O-N 2.95Å; A71-V73 VanDerWaalsContact C-N 3.31Å; A71-V73 PolarHBondContact O-N 2.91Å; A71-L74 PolarHBondContact O-N 3.09Å; A71-L74 VanDerWaalsContact O-N 3.17Å; A71-D75 PolarHBondContact O-N 3.3Å |
| 72 | E | 65.9 | Low | 66.9 | Low | 147 Ų | 147 | 118.9 Ų | 118.9 | 69% | 0.687 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -62.8 | -36.5 | 174.9 | -69.9 | -74.5 | 139.5 | 0 | 0 | 112.1 | Q68 S76 | Q68-E72 WeakPolarHBondContact O-CG 3.49Å; Q68-E72 PolarHBondContact O-N 3.09Å; E72-S76 PolarHBondContact O-N 2.81Å; E72-S76 PolarHBondContact O-OG 2.88Å |
| 73 | V | 65.4 | Low | 66.3 | Low | 87 Ų | 87 | 118.6 Ų | 118.6 | 53% | 0.527 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -71.1 | -31.2 | 174.8 | 173.5 | 0 | 0 | 0 | 0 | 112.2 | A69 L70 A71 S76 | A69-V73 VanDerWaalsContact O-CG2 3.29Å; A69-V73 WeakPolarHBondContact O-CG2 3.04Å; A69-V73 PolarHBondContact O-N 3.02Å; L70-V73 PolarHBondContact O-N 2.94Å; A71-V73 VanDerWaalsContact C-N 3.31Å; A71-V73 PolarHBondContact O-N 2.91Å; V73-S76 WeakPolarHBondContact CA-OG 3.5Å; V73-S76 PolarHBondContact O-OG 2.98Å |
| 74 | L | 62.4 | Low | 66 | Low | 114 Ų | 114 | 118.6 Ų | 118.6 | 60% | 0.597 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -81 | -30.5 | 177.7 | -69.5 | 174.1 | 0 | 0 | 0 | 113 | L70 A71 S76 Q77 | L70-L74 VanDerWaalsContact O-CG 3.28Å; L70-L74 WeakPolarHBondContact O-CG 3.41Å; L70-L74 PolarHBondContact O-N 3.34Å; A71-L74 PolarHBondContact O-N 3.09Å; A71-L74 VanDerWaalsContact O-N 3.17Å; L74-S76 VanDerWaalsContact C-N 3.34Å; L74-Q77 PolarHBondContact O-N 3.05Å |
| 75 | D | 58 | Low | 65.7 | Low | 144 Ų | 144 | 118.6 Ų | 118.6 | 77% | 0.77 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -71.8 | -31.6 | 176 | -157.8 | 66.4 | 0 | 0 | 0 | 111.7 | A71 Q77 | A71-D75 PolarHBondContact O-N 3.3Å; D75-Q77 VanDerWaalsContact C-N 3.3Å; D75-Q77 PolarHBondContact O-N 3.41Å |
| 76 | S | 60 | Low | 66 | Low | 88 Ų | 88 | 122.8 Ų | 122.8 | 62% | 0.615 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -8 | 173.1 | 55.2 | 0 | 0 | 0 | 0 | 114.5 | E72 V73 L74 D78 | E72-S76 PolarHBondContact O-N 2.81Å; E72-S76 PolarHBondContact O-OG 2.88Å; V73-S76 WeakPolarHBondContact CA-OG 3.5Å; V73-S76 PolarHBondContact O-OG 2.98Å; L74-S76 VanDerWaalsContact C-N 3.34Å; S76-D78 PolarHBondContact O-N 2.85Å |
| 77 | Q | 56.9 | Low | 66.8 | Low | 137 Ų | 137 | 119 Ų | 119 | 64% | 0.64 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -73.2 | 70.6 | 159.8 | -73.8 | -168.2 | 58.4 | 0 | 0 | 109.2 | L74 D75 R79 | L74-Q77 PolarHBondContact O-N 3.05Å; D75-Q77 VanDerWaalsContact C-N 3.3Å; D75-Q77 PolarHBondContact O-N 3.41Å; Q77-R79 PolarHBondContact O-N 3.18Å |
| 78 | D | 54.7 | Low | 67.6 | Low | 103 Ų | 103 | 116.6 Ų | 116.6 | 55% | 0.551 | 59% | 0.593 | S | S | * | * | trans | -7.2 | 96 | 152.1 | -171.9 | -139.5 | 0 | 0 | 0 | 109.1 | S76 K80 | S76-D78 PolarHBondContact O-N 2.85Å; D78-K80 PolarHBondContact O-N 3.38Å; D78-K80 WeakPolarHBondContact OD1-CD 3.43Å; D78-K80 WeakPolarHBondContact OD1-CE 2.87Å; D78-K80 IonicContact OD1-NZ 2.87Å; D78-K80 PolarHBondContact OD1-NZ 3.46Å | ||
| 79 | R | 62.2 | Low | 68.4 | Low | 245 Ų | 245 | 117.1 Ų | 117.1 | 93% | 0.925 | 59% | 0.59 | S | S | * | * | trans | -65.9 | 72.3 | 172 | -166.9 | -175.1 | -169.2 | -178.3 | 5 | 105.7 | Q77 P81 | Q77-R79 PolarHBondContact O-N 3.18Å; R79-P81 WeakPolarHBondContact O-CD 3.38Å | ||
| 80 | K | 56.6 | Low | 69.4 | Low | 149 Ų | 149 | 117.3 Ų | 117.3 | 65% | 0.648 | 58% | 0.583 | S | S | * | * | trans | -50.8 | 120.7 | -177.2 | -150.5 | 77.1 | 174.1 | -176.6 | 0 | 104.2 | D78 R82 | D78-K80 PolarHBondContact O-N 3.38Å; D78-K80 WeakPolarHBondContact OD1-CD 3.43Å; D78-K80 WeakPolarHBondContact OD1-CE 2.87Å; D78-K80 IonicContact OD1-NZ 2.87Å; D78-K80 PolarHBondContact OD1-NZ 3.46Å; K80-R82 PolarHBondContact O-N 2.73Å | ||
| 81 | P | 62.4 | Low | 70.3 | Confident | 111 Ų | 111 | 119.2 Ų | 119.2 | 72% | 0.721 | 59% | 0.589 | S | S | * | * | trans | -52.1 | 115.6 | 169.3 | 19.7 | -28.6 | 0 | 0 | 0 | 105.1 | R79 S83 | R79-P81 WeakPolarHBondContact O-CD 3.38Å; P81-S83 PolarHBondContact O-N 2.97Å | ||
| 82 | R | 65.3 | Low | 71.3 | Confident | 215 Ų | 215 | 119.9 Ų | 119.9 | 81% | 0.811 | 58% | 0.583 | S | S | * | * | trans | -42.4 | 121.9 | -177 | -69.2 | -177.6 | -179.7 | 107.5 | -5.1 | 106.4 | K80 S84 | K80-R82 PolarHBondContact O-N 2.73Å; R82-S84 PolarHBondContact O-N 3.36Å | ||
| 83 | S | 59 | Low | 72.6 | Confident | 104 Ų | 104 | 116 Ų | 116 | 73% | 0.727 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -23.3 | 123.2 | -171.6 | 62.1 | 0 | 0 | 0 | 0 | 111.8 | P81 R85 | P81-S83 PolarHBondContact O-N 2.97Å; S83-R85 PolarHBondContact O-N 3.1Å |
| 84 | S | 65.8 | Low | 74 | Confident | 103 Ų | 103 | 112.3 Ų | 112.3 | 72% | 0.72 | 55% | 0.55 | S | S | * | * | trans | -27.2 | 105.7 | 176.5 | 170.1 | 0 | 0 | 0 | 0 | 110 | R82 R86 | R82-S84 PolarHBondContact O-N 3.36Å; S84-R86 PolarHBondContact O-N 2.93Å | ||
| 85 | R | 68.6 | Low | 75.4 | Confident | 105 Ų | 105 | 111.8 Ų | 111.8 | 40% | 0.396 | 55% | 0.547 | S | S | . | . | trans | -60.7 | 115.5 | -177 | -69.7 | -174.7 | -177.9 | -165.8 | 4.6 | 105.7 | S83 C87 R89 E92 | S83-R85 PolarHBondContact O-N 3.1Å; R85-C87 WeakPolarHBondContact CB-O 3.48Å; R85-C87 PolarHBondContact O-N 3.44Å; R85-R89 VanDerWaalsContact NH1-CZ 3.32Å; R85-E92 IonicContact CZ-OE1 3.76Å; R85-E92 IonicContact NH1-OE1 2.76Å; R85-E92 PolarHBondContact NH1-OE1 3Å; R85-E92 IonicContact NH1-OE2 4Å; R85-E92 PolarHBondContact NH1-OE2 2.03Å; R85-E92 VanDerWaalsContact NH1-OE2 3.11Å | ||
| 86 | R | 84.3 | Confident | 76.8 | Confident | 221 Ų | 221 | 108.4 Ų | 108.4 | 83% | 0.834 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -61.9 | -8.9 | -179.2 | -73.5 | 179.6 | -86.7 | -166.3 | -5.5 | 113.2 | S84 | S84-R86 PolarHBondContact O-N 2.93Š|
| 87 | C | 90.8 | Very high | 78 | Confident | 37 Ų | 37 | 108.9 Ų | 108.9 | 25% | 0.25 | 54% | 0.539 | C | S | . | . | S | Bend | trans | -155.3 | 157.5 | 176.9 | 61.4 | 0 | 0 | 0 | 0 | 111.6 | R85 P100 C102 | R85-C87 WeakPolarHBondContact CB-O 3.48Å; R85-C87 PolarHBondContact O-N 3.44Å; C87-P100 CarbonylContact C-O 3.51Å; C87-P100 WeakPolarHBondContact CA-O 3.47Å; C87-P100 VanDerWaalsContact CB-O 3.25Å; C87-P100 WeakPolarHBondContact CB-O 3.39Å; C87-C102 HydrophobicContact CB-CB 3.8Å; C87-C102 WeakPolarHBondContact CB-SG 3.25Å; C87-C102 PolarHBondContact O-SG 2.99Å; C87-C102 WeakPolarHBondContact SG-CA 3.46Å; C87-C102 WeakPolarHBondContact SG-CB 3.46Å; C87-C102 CovalentContact SG-SG 2.04Å; C87-C102 PolarHBondContact SG-SG 2.05Å |
| 88 | V | 92.3 | Very high | 79.3 | Confident | 6 Ų | 6 | 112 Ų | 112 | 4% | 0.036 | 55% | 0.554 | C | S | . | * | B | Isolated β-bridge | trans | -90.6 | 133.6 | 175 | -175.9 | 0 | 0 | 0 | 0 | 110 | E92 S93 C94 Q97 V99 P100 C101 C102 | V88-E92 HydrophobicContact CG1-CB 3.76Å; V88-S93 WeakPolarHBondContact CG1-O 2.98Å; V88-C94 HydrophobicContact CG1-CB 4.42Å; V88-C94 HydrophobicContact CG2-CB 4.42Å; V88-Q97 HydrophobicContact CG2-CB 3.86Å; V88-Q97 HydrophobicContact CG2-CG 3.94Å; V88-V99 HydrophobicContact CG2-CG2 3.84Å; V88-P100 PolarHBondContact N-O 3.49Å; V88-C101 CarbonylContact O-C 3.45Å; V88-C101 WeakPolarHBondContact O-CA 3.02Å; V88-C102 PolarHBondContact O-N 3.29Å; V88-C102 PolarHBondContact O-SG 3.18Å; V88-C102 VanDerWaalsContact O-SG 3.42Å |
| 89 | R | 91.4 | Very high | 80.9 | Confident | 134 Ų | 134 | 109.2 Ų | 109.2 | 51% | 0.506 | 54% | 0.54 | S | S | . | . | P | Polyproline II helix | trans | -74.1 | 161.7 | 179.2 | -57.4 | -176.2 | 174.4 | 143.8 | -5 | 111.6 | R85 H91 E92 C119 | R85-R89 VanDerWaalsContact NH1-CZ 3.32Å; R89-H91 PolarHBondContact O-N 2.91Å; R89-E92 HydrophobicContact CB-CB 4.38Å; R89-E92 VanDerWaalsContact CB-CD 3.49Å; R89-E92 HydrophobicContact CB-CG 3.89Å; R89-E92 WeakPolarHBondContact CB-OE2 3.48Å; R89-E92 WeakPolarHBondContact CD-OE1 3.33Å; R89-E92 WeakPolarHBondContact CG-OE2 3.32Å; R89-E92 PolarHBondContact N-OE2 2.03Å; R89-E92 IonicContact NH1-OE1 2.69Å; R89-E92 WeakPolarHBondContact O-CB 2.91Å; R89-E92 PolarHBondContact O-N 2.98Å; R89-C119 WeakPolarHBondContact O-CB 3.36Å |
| 90 | L | 91.8 | Very high | 82.3 | Confident | 61 Ų | 61 | 102 Ų | 102 | 32% | 0.319 | 53% | 0.525 | S | S | . | . | B | Isolated β-bridge | trans | -56.5 | 136.4 | 174 | -160.9 | 72.9 | 0 | 0 | 0 | 110.4 | E92 A106 K121 | L90-E92 PolarHBondContact O-N 2.96Å; L90-E92 VanDerWaalsContact O-N 3.09Å; L90-A106 HydrophobicContact CD1-CB 3.68Å; L90-K121 HydrophobicContact CD1-CG 3.87Å; L90-K121 HydrophobicContact CD2-CD 4.3Å; L90-K121 HydrophobicContact CD2-CG 4.22Å |
| 91 | H | 91.1 | Very high | 84 | Confident | 139 Ų | 139 | 95.8 Ų | 95.8 | 64% | 0.644 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 2.3 | -175.1 | -50.9 | 154.1 | 0 | 0 | 0 | 116 | R89 C119 | R89-H91 PolarHBondContact O-N 2.91Å; H91-C119 PolarHBondContact N-O 3.14Å |
| 92 | E | 93.3 | Very high | 85.4 | Confident | 68 Ų | 68 | 93.4 Ų | 93.4 | 32% | 0.318 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -82.2 | 156.4 | 167.9 | -71.1 | -177.2 | 170.5 | 0 | 0 | 110.6 | R85 V88 R89 L90 C94 Y118 C119 | R85-E92 IonicContact CZ-OE1 3.76Å; R85-E92 IonicContact NH1-OE1 2.76Å; R85-E92 PolarHBondContact NH1-OE1 3Å; R85-E92 IonicContact NH1-OE2 4Å; R85-E92 PolarHBondContact NH1-OE2 2.03Å; R85-E92 VanDerWaalsContact NH1-OE2 3.11Å; V88-E92 HydrophobicContact CG1-CB 3.76Å; R89-E92 HydrophobicContact CB-CB 4.38Å; R89-E92 VanDerWaalsContact CB-CD 3.49Å; R89-E92 HydrophobicContact CB-CG 3.89Å; R89-E92 WeakPolarHBondContact CB-OE2 3.48Å; R89-E92 WeakPolarHBondContact CD-OE1 3.33Å; R89-E92 WeakPolarHBondContact CG-OE2 3.32Å; R89-E92 PolarHBondContact N-OE2 2.03Å; R89-E92 IonicContact NH1-OE1 2.69Å; R89-E92 WeakPolarHBondContact O-CB 2.91Å; R89-E92 PolarHBondContact O-N 2.98Å; L90-E92 PolarHBondContact O-N 2.96Å; L90-E92 VanDerWaalsContact O-N 3.09Å; E92-C94 PolarHBondContact O-N 3.39Å; E92-Y118 VanDerWaalsContact O-CA 3.25Å; E92-Y118 WeakPolarHBondContact O-CA 3.23Å; E92-Y118 WeakPolarHBondContact O-CB 3.06Å; E92-C119 PolarHBondContact O-N 3.14Å |
| 93 | S | 93.1 | Very high | 86.5 | Confident | 64 Ų | 64 | 85.1 Ų | 85.1 | 45% | 0.448 | 46% | 0.457 | S | S | . | . | B | Isolated β-bridge | trans | -67.7 | 128.4 | 179.4 | 179.4 | 0 | 0 | 0 | 0 | 111.6 | V88 L95 Q97 C117 | V88-S93 WeakPolarHBondContact CG1-O 2.98Å; S93-L95 PolarHBondContact OG-N 2.97Å; S93-Q97 PolarHBondContact O-NE2 2.86Å; S93-C117 VanDerWaalsContact CA-O 3.29Å; S93-C117 WeakPolarHBondContact CA-O 3.33Å; S93-C117 PolarHBondContact OG-O 3.46Å |
| 94 | C | 93.3 | Very high | 87.7 | Confident | 11 Ų | 11 | 86.2 Ų | 86.2 | 7% | 0.074 | 46% | 0.462 | C | S | . | . | trans | -99.5 | 3.8 | 172 | 47.3 | 0 | 0 | 0 | 0 | 112.9 | V88 E92 G96 Q97 C108 C117 Y118 | V88-C94 HydrophobicContact CG1-CB 4.42Å; V88-C94 HydrophobicContact CG2-CB 4.42Å; E92-C94 PolarHBondContact O-N 3.39Å; C94-G96 PolarHBondContact O-N 3.36Å; C94-Q97 PolarHBondContact O-N 3.26Å; C94-C108 HydrophobicContact CB-CB 3.8Å; C94-C108 WeakPolarHBondContact CB-SG 3.25Å; C94-C108 VanDerWaalsContact SG-CA 3.54Å; C94-C108 WeakPolarHBondContact SG-CB 3.07Å; C94-C108 CovalentContact SG-SG 2.03Å; C94-C108 PolarHBondContact SG-SG 3.28Å; C94-C117 PolarHBondContact N-O 3.17Å; C94-C117 VanDerWaalsContact N-O 3.1Å; C94-Y118 VanDerWaalsContact SG-C 3.59Å; C94-Y118 VanDerWaalsContact SG-CA 3.58Å; C94-Y118 PolarHBondContact SG-N 3.18Å; C94-Y118 VanDerWaalsContact SG-N 3.36Å | ||
| 95 | L | 92.4 | Very high | 88.8 | Confident | 102 Ų | 102 | 82.4 Ų | 82.4 | 53% | 0.534 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | 121.5 | -179.2 | -169.5 | 71 | 0 | 0 | 0 | 110.6 | S93 Q97 | S93-L95 PolarHBondContact OG-N 2.97Å; L95-Q97 PolarHBondContact O-N 3.29Å; L95-Q97 PolarHBondContact O-OE1 2.93Å |
| 96 | G | 87.3 | Confident | 89.8 | Confident | 74 Ų | 74 | 77.8 Ų | 77.8 | 76% | 0.763 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | -2.7 | 179 | 0 | 0 | 0 | 0 | 0 | 115.3 | C94 | C94-G96 PolarHBondContact O-N 3.36Š|
| 97 | Q | 85.4 | Confident | 90.2 | Very high | 98 Ų | 98 | 70.9 Ų | 70.9 | 46% | 0.458 | 40% | 0.402 | S | S | . | . | trans | -85.8 | 123.2 | 176 | -89.2 | 70.6 | -80.2 | 0 | 0 | 110.1 | V88 S93 C94 L95 V99 | V88-Q97 HydrophobicContact CG2-CB 3.86Å; V88-Q97 HydrophobicContact CG2-CG 3.94Å; S93-Q97 PolarHBondContact O-NE2 2.86Å; C94-Q97 PolarHBondContact O-N 3.26Å; L95-Q97 PolarHBondContact O-N 3.29Å; L95-Q97 PolarHBondContact O-OE1 2.93Å; Q97-V99 HydrophobicContact CB-CG2 3.96Å; Q97-V99 HydrophobicContact CG-CG2 4.13Å; Q97-V99 PolarHBondContact O-N 3.1Å | ||
| 98 | Q | 85.3 | Confident | 90.3 | Very high | 203 Ų | 203 | 71.9 Ų | 71.9 | 95% | 0.949 | 41% | 0.409 | S | S | * | . | trans | -81.1 | 6.6 | 172.5 | -72.2 | 171 | 73.9 | 0 | 0 | 113.3 | ||||
| 99 | V | 88.3 | Confident | 90.4 | Very high | 44 Ų | 44 | 75.9 Ų | 75.9 | 27% | 0.267 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -102.7 | 145.9 | -176.8 | -69.7 | 0 | 0 | 0 | 0 | 111.4 | V88 Q97 | V88-V99 HydrophobicContact CG2-CG2 3.84Å; Q97-V99 HydrophobicContact CB-CG2 3.96Å; Q97-V99 HydrophobicContact CG-CG2 4.13Å; Q97-V99 PolarHBondContact O-N 3.1Å |
| 100 | P | 91.1 | Very high | 90.5 | Very high | 92 Ų | 92 | 71.3 Ų | 71.3 | 60% | 0.597 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 167.5 | 179 | 30.5 | -36 | 0 | 0 | 0 | 111.9 | C87 V88 | C87-P100 CarbonylContact C-O 3.51Å; C87-P100 WeakPolarHBondContact CA-O 3.47Å; C87-P100 VanDerWaalsContact CB-O 3.25Å; C87-P100 WeakPolarHBondContact CB-O 3.39Å; V88-P100 PolarHBondContact N-O 3.49Å |
| 101 | C | 91.8 | Very high | 90.6 | Very high | 19 Ų | 19 | 74.5 Ų | 74.5 | 13% | 0.128 | 42% | 0.42 | C | S | . | . | B | Isolated β-bridge | trans | -64.2 | 146.9 | 166.8 | -59.7 | 0 | 0 | 0 | 0 | 110.1 | V88 D103 A106 C119 | V88-C101 CarbonylContact O-C 3.45Å; V88-C101 WeakPolarHBondContact O-CA 3.02Å; C101-D103 PolarHBondContact O-N 2.81Å; C101-A106 HydrophobicContact CB-CB 3.94Å; C101-A106 WeakPolarHBondContact CB-O 3.42Å; C101-C119 VanDerWaalsContact CA-SG 3.58Å; C101-C119 HydrophobicContact CB-CB 3.86Å; C101-C119 WeakPolarHBondContact CB-SG 3.36Å; C101-C119 WeakPolarHBondContact SG-CB 3.5Å; C101-C119 CovalentContact SG-SG 2.03Å; C101-C119 PolarHBondContact SG-SG 3.03Å |
| 102 | C | 91.1 | Very high | 90.8 | Very high | 62 Ų | 62 | 74.9 Ų | 74.9 | 42% | 0.419 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -67.1 | -24.4 | -179.3 | -63 | 0 | 0 | 0 | 0 | 113 | C87 V88 | C87-C102 HydrophobicContact CB-CB 3.8Å; C87-C102 WeakPolarHBondContact CB-SG 3.25Å; C87-C102 PolarHBondContact O-SG 2.99Å; C87-C102 WeakPolarHBondContact SG-CA 3.46Å; C87-C102 WeakPolarHBondContact SG-CB 3.46Å; C87-C102 CovalentContact SG-SG 2.04Å; C87-C102 PolarHBondContact SG-SG 2.05Å; V88-C102 PolarHBondContact O-N 3.29Å; V88-C102 PolarHBondContact O-SG 3.18Å; V88-C102 VanDerWaalsContact O-SG 3.42Å |
| 103 | D | 88.3 | Confident | 90.8 | Very high | 40 Ų | 40 | 81.7 Ų | 81.7 | 21% | 0.214 | 45% | 0.449 | C | S | . | . | S | Bend | trans | -94.7 | 121.3 | 177.6 | -175.8 | -15.2 | 0 | 0 | 0 | 108.5 | C101 C105 A106 K121 | C101-D103 PolarHBondContact O-N 2.81Å; D103-C105 PolarHBondContact O-N 3.23Å; D103-C105 VanDerWaalsContact O-N 3.09Å; D103-C105 VanDerWaalsContact OD1-CB 3.23Å; D103-C105 WeakPolarHBondContact OD1-CB 3.4Å; D103-C105 PolarHBondContact OD1-N 3.32Å; D103-A106 HydrophobicContact CB-CB 3.85Å; D103-A106 PolarHBondContact O-N 3.23Å; D103-K121 WeakPolarHBondContact OD2-CE 3.42Å; D103-K121 IonicContact OD2-NZ 2.6Å |
| 104 | P | 85.5 | Confident | 90.6 | Very high | 128 Ų | 128 | 84 Ų | 84 | 83% | 0.831 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -18.7 | 178.6 | 27.7 | -36.5 | 0 | 0 | 0 | 112.9 | ||
| 105 | C | 87.9 | Confident | 90.5 | Very high | 22 Ų | 22 | 86.2 Ų | 86.2 | 15% | 0.149 | 48% | 0.475 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -1.3 | 177.5 | -65.4 | 0 | 0 | 0 | 0 | 113.6 | D103 K121 L122 C129 | D103-C105 PolarHBondContact O-N 3.23Å; D103-C105 VanDerWaalsContact O-N 3.09Å; D103-C105 VanDerWaalsContact OD1-CB 3.23Å; D103-C105 WeakPolarHBondContact OD1-CB 3.4Å; D103-C105 PolarHBondContact OD1-N 3.32Å; C105-K121 WeakPolarHBondContact O-CA 3.07Å; C105-L122 PolarHBondContact O-N 3.44Å; C105-C129 HydrophobicContact CB-CB 3.34Å; C105-C129 WeakPolarHBondContact CB-SG 3.35Å; C105-C129 WeakPolarHBondContact SG-CA 3.29Å; C105-C129 WeakPolarHBondContact SG-CB 3.43Å; C105-C129 CovalentContact SG-SG 2.02Å; C105-C129 PolarHBondContact SG-SG 3.47Å |
| 106 | A | 91.2 | Very high | 90.6 | Very high | 9 Ų | 9 | 87.7 Ų | 87.7 | 7% | 0.074 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 140.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L90 C101 D103 R120 | L90-A106 HydrophobicContact CD1-CB 3.68Å; C101-A106 HydrophobicContact CB-CB 3.94Å; C101-A106 WeakPolarHBondContact CB-O 3.42Å; D103-A106 HydrophobicContact CB-CB 3.85Å; D103-A106 PolarHBondContact O-N 3.23Å; A106-R120 VanDerWaalsContact CA-O 3.25Å; A106-R120 WeakPolarHBondContact CA-O 3.21Å |
| 107 | T | 91.6 | Very high | 91 | Very high | 76 Ų | 76 | 84.7 Ų | 84.7 | 47% | 0.466 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 150.9 | 174.6 | -66.2 | 0 | 0 | 0 | 0 | 109.5 | Y109 R120 L122 | T107-Y109 PolarHBondContact O-N 3.01Å; T107-Y109 VanDerWaalsContact O-N 3.14Å; T107-R120 PolarHBondContact N-O 3.25Å; T107-R120 PolarHBondContact O-N 3.31Å; T107-L122 WeakPolarHBondContact OG1-CD1 3.17Å |
| 108 | C | 93.8 | Very high | 91.4 | Very high | 57 Ų | 57 | 82.7 Ų | 82.7 | 39% | 0.385 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 112.4 | 171.9 | -176.2 | 0 | 0 | 0 | 0 | 109.2 | C94 | C94-C108 HydrophobicContact CB-CB 3.8Å; C94-C108 WeakPolarHBondContact CB-SG 3.25Å; C94-C108 VanDerWaalsContact SG-CA 3.54Å; C94-C108 WeakPolarHBondContact SG-CB 3.07Å; C94-C108 CovalentContact SG-SG 2.03Å; C94-C108 PolarHBondContact SG-SG 3.28Å |
| 109 | Y | 92.9 | Very high | 91.8 | Very high | 90 Ų | 90 | 73 Ų | 73 | 35% | 0.353 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 132.1 | 179.1 | 168.6 | -106.2 | 0 | 0 | 0 | 109.4 | T107 R111 C117 Y118 | T107-Y109 PolarHBondContact O-N 3.01Å; T107-Y109 VanDerWaalsContact O-N 3.14Å; Y109-R111 HydrophobicContact CD1-CG 4.14Å; Y109-R111 HydrophobicContact CE1-CG 3.27Å; Y109-R111 WeakPolarHBondContact OH-CG 3.05Å; Y109-R111 PolarHBondContact OH-NE 2.82Å; Y109-C117 WeakPolarHBondContact O-CA 3.25Å; Y109-Y118 HydrophobicContact CD1-CE1 4.13Å; Y109-Y118 HydrophobicContact CD1-CE2 4.19Å; Y109-Y118 AromaticContact CD1-CZ 3.71Å; Y109-Y118 PolarHBondContact N-O 3.24Å; Y109-Y118 PolarHBondContact O-N 3.32Å |
| 110 | C | 94.9 | Very high | 92 | Very high | 38 Ų | 38 | 77.4 Ų | 77.4 | 26% | 0.257 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 137.6 | -174.1 | -68.7 | 0 | 0 | 0 | 0 | 111.4 | N114 F116 C117 | C110-N114 HydrophobicContact CB-CB 4.22Å; C110-N114 WeakPolarHBondContact CB-OD1 3.29Å; C110-F116 CarbonylContact C-O 3.53Å; C110-F116 WeakPolarHBondContact CA-O 3.09Å; C110-C117 HydrophobicContact CB-CB 4.19Å; C110-C117 WeakPolarHBondContact CB-SG 3.07Å; C110-C117 WeakPolarHBondContact SG-CB 3.2Å; C110-C117 CovalentContact SG-SG 2.05Å; C110-C117 PolarHBondContact SG-SG 3.37Å |
| 111 | R | 93.3 | Very high | 92 | Very high | 129 Ų | 129 | 76.4 Ų | 76.4 | 49% | 0.487 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 165.2 | 175.1 | -68.8 | -169.7 | 139.6 | -170.5 | -5.7 | 110.9 | Y109 N114 A115 F116 Y118 | Y109-R111 HydrophobicContact CD1-CG 4.14Å; Y109-R111 HydrophobicContact CE1-CG 3.27Å; Y109-R111 WeakPolarHBondContact OH-CG 3.05Å; Y109-R111 PolarHBondContact OH-NE 2.82Å; R111-N114 PolarHBondContact O-N 3.14Å; R111-A115 PolarHBondContact O-N 3.35Å; R111-F116 PolarHBondContact N-O 3.47Å; R111-F116 PolarHBondContact O-N 2.9Å; R111-Y118 HydrophobicContact CG-CE1 4.38Å |
| 112 | F | 94.6 | Very high | 91.6 | Very high | 147 Ų | 147 | 80.4 Ų | 80.4 | 65% | 0.645 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 58.6 | 176.6 | -56.6 | -79.5 | 0 | 0 | 0 | 112.2 | N114 A115 F116 | F112-N114 VanDerWaalsContact C-N 3.32Å; F112-N114 PolarHBondContact O-N 2.75Å; F112-A115 HydrophobicContact CB-CB 4.33Å; F112-A115 WeakPolarHBondContact O-CB 3.12Å; F112-A115 PolarHBondContact O-N 3.13Å; F112-A115 VanDerWaalsContact O-N 3.14Å; F112-F116 HydrophobicContact CB-CD2 4.13Å; F112-F116 AromaticContact CD2-CD2 3.67Å; F112-F116 HydrophobicContact CD2-CD2 3.67Å; F112-F116 HydrophobicContact CD2-CE2 4.27Å; F112-F116 HydrophobicContact CD2-CG 4.5Å; F112-F116 HydrophobicContact CE2-CD2 4.5Å; F112-F116 HydrophobicContact CG-CD2 4.24Å |
| 113 | F | 93.6 | Very high | 90.6 | Very high | 211 Ų | 211 | 80.4 Ų | 80.4 | 93% | 0.925 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 39.1 | 179.4 | -52.5 | -88.3 | 0 | 0 | 0 | 114.1 | A115 | F113-A115 VanDerWaalsContact C-N 3.26Å; F113-A115 PolarHBondContact O-N 3.41Å |
| 114 | N | 88.1 | Confident | 89.3 | Confident | 112 Ų | 112 | 81.8 Ų | 81.8 | 60% | 0.599 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68 | 17.2 | -177.1 | -47 | -51.8 | 0 | 0 | 0 | 115.9 | C110 R111 F112 | C110-N114 HydrophobicContact CB-CB 4.22Å; C110-N114 WeakPolarHBondContact CB-OD1 3.29Å; R111-N114 PolarHBondContact O-N 3.14Å; F112-N114 VanDerWaalsContact C-N 3.32Å; F112-N114 PolarHBondContact O-N 2.75Å |
| 115 | A | 92.3 | Very high | 88.1 | Confident | 57 Ų | 57 | 80.9 Ų | 80.9 | 47% | 0.471 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -35.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R111 F112 F113 | R111-A115 PolarHBondContact O-N 3.35Å; F112-A115 HydrophobicContact CB-CB 4.33Å; F112-A115 WeakPolarHBondContact O-CB 3.12Å; F112-A115 PolarHBondContact O-N 3.13Å; F112-A115 VanDerWaalsContact O-N 3.14Å; F113-A115 VanDerWaalsContact C-N 3.26Å; F113-A115 PolarHBondContact O-N 3.41Å |
| 116 | F | 94 | Very high | 86.8 | Confident | 134 Ų | 134 | 88.6 Ų | 88.6 | 59% | 0.588 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 107.7 | -178.6 | -63.4 | -85.7 | 0 | 0 | 0 | 110.3 | C110 R111 F112 | C110-F116 CarbonylContact C-O 3.53Å; C110-F116 WeakPolarHBondContact CA-O 3.09Å; R111-F116 PolarHBondContact N-O 3.47Å; R111-F116 PolarHBondContact O-N 2.9Å; F112-F116 HydrophobicContact CB-CD2 4.13Å; F112-F116 AromaticContact CD2-CD2 3.67Å; F112-F116 HydrophobicContact CD2-CD2 3.67Å; F112-F116 HydrophobicContact CD2-CE2 4.27Å; F112-F116 HydrophobicContact CD2-CG 4.5Å; F112-F116 HydrophobicContact CE2-CD2 4.5Å; F112-F116 HydrophobicContact CG-CD2 4.24Å |
| 117 | C | 95.3 | Very high | 85.3 | Confident | 11 Ų | 11 | 92.3 Ų | 92.3 | 7% | 0.074 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 126.4 | -177.5 | -62.3 | 0 | 0 | 0 | 0 | 110.8 | S93 C94 Y109 C110 | S93-C117 VanDerWaalsContact CA-O 3.29Å; S93-C117 WeakPolarHBondContact CA-O 3.33Å; S93-C117 PolarHBondContact OG-O 3.46Å; C94-C117 PolarHBondContact N-O 3.17Å; C94-C117 VanDerWaalsContact N-O 3.1Å; Y109-C117 WeakPolarHBondContact O-CA 3.25Å; C110-C117 HydrophobicContact CB-CB 4.19Å; C110-C117 WeakPolarHBondContact CB-SG 3.07Å; C110-C117 WeakPolarHBondContact SG-CB 3.2Å; C110-C117 CovalentContact SG-SG 2.05Å; C110-C117 PolarHBondContact SG-SG 3.37Å |
| 118 | Y | 94.4 | Very high | 84 | Confident | 56 Ų | 56 | 94.1 Ų | 94.1 | 22% | 0.22 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 154.3 | -178.9 | 57.3 | -86.4 | 0 | 0 | 0 | 112 | E92 C94 Y109 R111 R120 | E92-Y118 VanDerWaalsContact O-CA 3.25Å; E92-Y118 WeakPolarHBondContact O-CA 3.23Å; E92-Y118 WeakPolarHBondContact O-CB 3.06Å; C94-Y118 VanDerWaalsContact SG-C 3.59Å; C94-Y118 VanDerWaalsContact SG-CA 3.58Å; C94-Y118 PolarHBondContact SG-N 3.18Å; C94-Y118 VanDerWaalsContact SG-N 3.36Å; Y109-Y118 HydrophobicContact CD1-CE1 4.13Å; Y109-Y118 HydrophobicContact CD1-CE2 4.19Å; Y109-Y118 AromaticContact CD1-CZ 3.71Å; Y109-Y118 PolarHBondContact N-O 3.24Å; Y109-Y118 PolarHBondContact O-N 3.32Å; R111-Y118 HydrophobicContact CG-CE1 4.38Å; Y118-R120 HydrophobicContact CD2-CB 4.3Å; Y118-R120 HydrophobicContact CE2-CB 4.09Å; Y118-R120 HydrophobicContact CE2-CG 4.46Å; Y118-R120 PolarHBondContact O-N 3.47Å |
| 119 | C | 94.5 | Very high | 82.7 | Confident | 0 Ų | 0 | 93.1 Ų | 93.1 | 0% | 0 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 124 | 175.5 | -75.8 | 0 | 0 | 0 | 0 | 111.2 | R89 H91 E92 C101 | R89-C119 WeakPolarHBondContact O-CB 3.36Å; H91-C119 PolarHBondContact N-O 3.14Å; E92-C119 PolarHBondContact O-N 3.14Å; C101-C119 VanDerWaalsContact CA-SG 3.58Å; C101-C119 HydrophobicContact CB-CB 3.86Å; C101-C119 WeakPolarHBondContact CB-SG 3.36Å; C101-C119 WeakPolarHBondContact SG-CB 3.5Å; C101-C119 CovalentContact SG-SG 2.03Å; C101-C119 PolarHBondContact SG-SG 3.03Å |
| 120 | R | 92.7 | Very high | 81 | Confident | 135 Ų | 135 | 92.1 Ų | 92.1 | 51% | 0.509 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 135.9 | 179 | -173.4 | -179.7 | -178.3 | -119.6 | -1.6 | 110.7 | A106 T107 Y118 L122 | A106-R120 VanDerWaalsContact CA-O 3.25Å; A106-R120 WeakPolarHBondContact CA-O 3.21Å; T107-R120 PolarHBondContact N-O 3.25Å; T107-R120 PolarHBondContact O-N 3.31Å; Y118-R120 HydrophobicContact CD2-CB 4.3Å; Y118-R120 HydrophobicContact CE2-CB 4.09Å; Y118-R120 HydrophobicContact CE2-CG 4.46Å; Y118-R120 PolarHBondContact O-N 3.47Å; R120-L122 PolarHBondContact O-N 3.04Å |
| 121 | K | 90.8 | Very high | 79.2 | Confident | 71 Ų | 71 | 101 Ų | 101 | 31% | 0.309 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 129.4 | 172.4 | -78.2 | -179.6 | 174.6 | -176.1 | 0 | 110.2 | L90 D103 C105 G123 T132 | L90-K121 HydrophobicContact CD1-CG 3.87Å; L90-K121 HydrophobicContact CD2-CD 4.3Å; L90-K121 HydrophobicContact CD2-CG 4.22Å; D103-K121 WeakPolarHBondContact OD2-CE 3.42Å; D103-K121 IonicContact OD2-NZ 2.6Å; C105-K121 WeakPolarHBondContact O-CA 3.07Å; K121-G123 VanDerWaalsContact C-N 3.27Å; K121-G123 PolarHBondContact O-N 3.38Å; K121-T132 PolarHBondContact NZ-OXT 3.47Å |
| 122 | L | 81.8 | Confident | 77.3 | Confident | 104 Ų | 104 | 103.2 Ų | 103.2 | 55% | 0.545 | 55% | 0.553 | S | S | . | * | trans | -78.8 | 78.6 | 172.6 | -75.4 | 153 | 0 | 0 | 0 | 109.1 | C105 T107 R120 T124 | C105-L122 PolarHBondContact O-N 3.44Å; T107-L122 WeakPolarHBondContact OG1-CD1 3.17Å; R120-L122 PolarHBondContact O-N 3.04Å; L122-T124 PolarHBondContact O-N 3.16Å; L122-T124 VanDerWaalsContact O-N 3.1Å | ||
| 123 | G | 70.5 | Confident | 76.5 | Confident | 62 Ų | 62 | 101.1 Ų | 101.1 | 64% | 0.639 | 55% | 0.548 | S | S | * | . | trans | -71.2 | 101.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | K121 | K121-G123 VanDerWaalsContact C-N 3.27Å; K121-G123 PolarHBondContact O-N 3.38Å | ||
| 124 | T | 62.3 | Low | 75.6 | Confident | 69 Ų | 69 | 95.3 Ų | 95.3 | 42% | 0.423 | 53% | 0.528 | S | S | . | . | trans | -117.7 | 133.4 | 161.1 | 43.1 | 0 | 0 | 0 | 0 | 106.8 | L122 M126 N127 | L122-T124 PolarHBondContact O-N 3.16Å; L122-T124 VanDerWaalsContact O-N 3.1Å; T124-M126 PolarHBondContact O-N 2.99Å; T124-N127 PolarHBondContact O-N 3.46Å; T124-N127 WeakPolarHBondContact OG1-CB 3.41Å; T124-N127 PolarHBondContact OG1-ND2 3.13Å | ||
| 125 | A | 59.7 | Low | 74.9 | Confident | 108 Ų | 108 | 94.3 Ų | 94.3 | 89% | 0.893 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -15.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 126 | M | 61.5 | Low | 73.8 | Confident | 184 Ų | 184 | 96.5 Ų | 96.5 | 91% | 0.906 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | -0.7 | 179.1 | -75.5 | 164.7 | 59.2 | 0 | 0 | 114.6 | T124 | T124-M126 PolarHBondContact O-N 2.99Š|
| 127 | N | 58.4 | Low | 72.6 | Confident | 88 Ų | 88 | 94.2 Ų | 94.2 | 47% | 0.471 | 52% | 0.524 | S | S | . | . | S | Bend | trans | -106.1 | 140.1 | 179.5 | -81.9 | -62.8 | 0 | 0 | 0 | 112.5 | T124 C129 S130 | T124-N127 PolarHBondContact O-N 3.46Å; T124-N127 WeakPolarHBondContact OG1-CB 3.41Å; T124-N127 PolarHBondContact OG1-ND2 3.13Å; N127-C129 PolarHBondContact O-N 3.38Å; N127-S130 PolarHBondContact O-N 3.09Å; N127-S130 PolarHBondContact O-OG 3.44Å |
| 128 | P | 64.7 | Low | 71.1 | Confident | 113 Ų | 113 | 99.7 Ų | 99.7 | 73% | 0.734 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -61.4 | -17.1 | -176.8 | 25 | -34.3 | 0 | 0 | 0 | 113.5 | S130 R131 | P128-S130 PolarHBondContact O-N 3.35Å; P128-S130 VanDerWaalsContact O-N 3.16Å; P128-R131 PolarHBondContact O-N 3.4Å |
| 129 | C | 65.5 | Low | 69.4 | Low | 36 Ų | 36 | 102.9 Ų | 102.9 | 24% | 0.243 | 58% | 0.577 | C | S | . | * | G | 310 helix | trans | -64.5 | -8.1 | 177.8 | -79.1 | 0 | 0 | 0 | 0 | 117 | C105 N127 | C105-C129 HydrophobicContact CB-CB 3.34Å; C105-C129 WeakPolarHBondContact CB-SG 3.35Å; C105-C129 WeakPolarHBondContact SG-CA 3.29Å; C105-C129 WeakPolarHBondContact SG-CB 3.43Å; C105-C129 CovalentContact SG-SG 2.02Å; C105-C129 PolarHBondContact SG-SG 3.47Å; N127-C129 PolarHBondContact O-N 3.38Å |
| 130 | S | 57.8 | Low | 67.5 | Low | 70 Ų | 70 | 110.8 Ų | 110.8 | 49% | 0.49 | 62% | 0.622 | S | S | . | * | G | 310 helix | trans | -93 | -5.9 | -177.8 | 54.7 | 0 | 0 | 0 | 0 | 113.9 | N127 P128 | N127-S130 PolarHBondContact O-N 3.09Å; N127-S130 PolarHBondContact O-OG 3.44Å; P128-S130 PolarHBondContact O-N 3.35Å; P128-S130 VanDerWaalsContact O-N 3.16Å |
| 131 | R | 57.9 | Low | 65.4 | Low | 225 Ų | 225 | 108.8 Ų | 108.8 | 85% | 0.849 | 63% | 0.631 | S | S | * | * | trans | -128.2 | 60.6 | -161.4 | -143.1 | -176.6 | -157.4 | 177.7 | 5.8 | 113.6 | P128 | P128-R131 PolarHBondContact O-N 3.4Š| ||
| 132 | T | 53.6 | Low | 63.1 | Low | 175 Ų | 175 | 112.2 Ų | 112.2 | 100% | 1.074 | 66% | 0.661 | S | S | * | * | trans | -162.2 | 0 | 162.3 | 44.7 | 0 | 0 | 0 | 0 | 108.4 | K121 | K121-T132 PolarHBondContact NZ-OXT 3.47Š|
Retrieved 132 of 132 residues in 85.7 ms
(Link to these results)