| 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 | 52.1 | Low | 68.3 | Low | 195 Ų | 195 | 103.5 Ų | 103.5 | 96% | 0.961 | 61% | 0.607 | S | S | * | * | 0 | 1.8 | 0 | -128.2 | 109.8 | 79 | 0 | 0 | 115.2 | |||||
| 2 | C | 54.8 | Low | 69.6 | Low | 108 Ų | 108 | 104.7 Ų | 104.7 | 73% | 0.73 | 61% | 0.608 | S | S | * | * | trans | -87.9 | -42.2 | 176 | -89.6 | 0 | 0 | 0 | 0 | 112.9 | S4 K5 S6 | C2-S4 PolarHBondContact O-N 3.41Å; C2-K5 PolarHBondContact O-N 3.37Å; C2-S6 PolarHBondContact O-N 3.45Å; C2-S6 VanDerWaalsContact O-N 3.15Å | ||
| 3 | C | 57.4 | Low | 70.6 | Confident | 97 Ų | 97 | 105.2 Ų | 105.2 | 66% | 0.655 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -68.9 | -37.9 | -172.6 | -51.7 | 0 | 0 | 0 | 0 | 112.5 | S6 L7 | C3-S6 PolarHBondContact O-N 3.02Å; C3-L7 WeakPolarHBondContact O-CB 3.45Å; C3-L7 WeakPolarHBondContact O-CD1 3.33Å; C3-L7 WeakPolarHBondContact O-CG 3.49Å; C3-L7 PolarHBondContact O-N 2.98Å |
| 4 | S | 59.8 | Low | 71.3 | Confident | 63 Ų | 63 | 101.9 Ų | 101.9 | 44% | 0.441 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.5 | -41.9 | 178.5 | 52.6 | 0 | 0 | 0 | 0 | 112.7 | C2 L7 L8 | C2-S4 PolarHBondContact O-N 3.41Å; S4-L7 PolarHBondContact O-N 3.07Å; S4-L8 VanDerWaalsContact O-CG 3.24Å; S4-L8 WeakPolarHBondContact O-CG 3.49Å; S4-L8 PolarHBondContact O-N 3.27Å |
| 5 | K | 60.3 | Low | 72.1 | Confident | 133 Ų | 133 | 101.3 Ų | 101.3 | 58% | 0.578 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66.2 | -39.4 | 176.8 | -64.3 | -176.3 | 178.4 | -172.6 | 0 | 111.7 | C2 L8 L9 | C2-K5 PolarHBondContact O-N 3.37Å; K5-L8 PolarHBondContact O-N 3.33Å; K5-L9 VanDerWaalsContact O-CG 3.27Å; K5-L9 WeakPolarHBondContact O-CG 3.35Å; K5-L9 PolarHBondContact O-N 3.23Å |
| 6 | S | 70.8 | Confident | 72.5 | Confident | 80 Ų | 80 | 100.7 Ų | 100.7 | 56% | 0.559 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.4 | -41.6 | 176.3 | -159.9 | 0 | 0 | 0 | 0 | 112 | C2 C3 L9 A10 | C2-S6 PolarHBondContact O-N 3.45Å; C2-S6 VanDerWaalsContact O-N 3.15Å; C3-S6 PolarHBondContact O-N 3.02Å; S6-L9 PolarHBondContact O-N 3.27Å; S6-A10 WeakPolarHBondContact O-CB 3.33Å; S6-A10 PolarHBondContact O-N 3.09Å |
| 7 | L | 73.5 | Confident | 72.8 | Confident | 125 Ų | 125 | 100.9 Ų | 100.9 | 65% | 0.654 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64.5 | -40.9 | 175.2 | -78.8 | 157 | 0 | 0 | 0 | 112.5 | C3 S4 A10 A11 | C3-L7 WeakPolarHBondContact O-CB 3.45Å; C3-L7 WeakPolarHBondContact O-CD1 3.33Å; C3-L7 WeakPolarHBondContact O-CG 3.49Å; C3-L7 PolarHBondContact O-N 2.98Å; S4-L7 PolarHBondContact O-N 3.07Å; L7-A10 PolarHBondContact O-N 3.4Å; L7-A11 WeakPolarHBondContact O-CB 3.42Å; L7-A11 PolarHBondContact O-N 2.95Å |
| 8 | L | 77.2 | Confident | 72.8 | Confident | 114 Ų | 114 | 102.5 Ų | 102.5 | 60% | 0.597 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65.9 | -41.5 | 176.5 | -70.9 | 171.2 | 0 | 0 | 0 | 111.8 | S4 K5 A11 L12 | S4-L8 VanDerWaalsContact O-CG 3.24Å; S4-L8 WeakPolarHBondContact O-CG 3.49Å; S4-L8 PolarHBondContact O-N 3.27Å; K5-L8 PolarHBondContact O-N 3.33Å; L8-A11 PolarHBondContact O-N 3.26Å; L8-L12 VanDerWaalsContact O-CG 3.29Å; L8-L12 WeakPolarHBondContact O-CG 3.23Å; L8-L12 PolarHBondContact O-N 2.96Å |
| 9 | L | 79.9 | Confident | 72.8 | Confident | 113 Ų | 113 | 106.7 Ų | 106.7 | 59% | 0.592 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64.1 | -42.6 | 176 | -72.3 | 169.5 | 0 | 0 | 0 | 111.7 | K5 S6 A11 L12 M13 | K5-L9 VanDerWaalsContact O-CG 3.27Å; K5-L9 WeakPolarHBondContact O-CG 3.35Å; K5-L9 PolarHBondContact O-N 3.23Å; S6-L9 PolarHBondContact O-N 3.27Å; L9-A11 VanDerWaalsContact C-N 3.34Å; L9-A11 PolarHBondContact O-N 3.26Å; L9-L12 PolarHBondContact O-N 3.18Å; L9-M13 VanDerWaalsContact O-CG 3.31Å; L9-M13 WeakPolarHBondContact O-CG 3.23Å; L9-M13 PolarHBondContact O-N 2.93Å |
| 10 | A | 81.5 | Confident | 72.6 | Confident | 60 Ų | 60 | 108 Ų | 108 | 50% | 0.496 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -62.4 | -41 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S6 L7 M13 S14 | S6-A10 WeakPolarHBondContact O-CB 3.33Å; S6-A10 PolarHBondContact O-N 3.09Å; L7-A10 PolarHBondContact O-N 3.4Å; A10-M13 PolarHBondContact O-N 3Å; A10-S14 PolarHBondContact O-N 2.91Å; A10-S14 PolarHBondContact O-OG 3.34Å |
| 11 | A | 84.4 | Confident | 72 | Confident | 50 Ų | 50 | 107.4 Ų | 107.4 | 41% | 0.413 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -67.1 | -37.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L7 L8 L9 S14 V15 | L7-A11 WeakPolarHBondContact O-CB 3.42Å; L7-A11 PolarHBondContact O-N 2.95Å; L8-A11 PolarHBondContact O-N 3.26Å; L9-A11 VanDerWaalsContact C-N 3.34Å; L9-A11 PolarHBondContact O-N 3.26Å; A11-S14 PolarHBondContact O-OG 3.12Å; A11-V15 VanDerWaalsContact O-CG2 3.3Å; A11-V15 WeakPolarHBondContact O-CG2 3.44Å; A11-V15 PolarHBondContact O-N 3.07Å; A11-V15 VanDerWaalsContact O-N 3.11Å |
| 12 | L | 83.4 | Confident | 72.4 | Confident | 118 Ų | 118 | 101.6 Ų | 101.6 | 62% | 0.618 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -67.1 | -40.3 | 175.9 | -71.9 | 169.8 | 0 | 0 | 0 | 111.7 | L8 L9 V15 L16 | L8-L12 VanDerWaalsContact O-CG 3.29Å; L8-L12 WeakPolarHBondContact O-CG 3.23Å; L8-L12 PolarHBondContact O-N 2.96Å; L9-L12 PolarHBondContact O-N 3.18Å; L12-V15 PolarHBondContact O-N 3.19Å; L12-L16 WeakPolarHBondContact O-CB 3.41Å; L12-L16 PolarHBondContact O-N 3.03Å |
| 13 | M | 82.1 | Confident | 72.3 | Confident | 111 Ų | 111 | 104.7 Ų | 104.7 | 55% | 0.547 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.9 | -39 | 177.4 | -69.3 | -58.6 | -66.1 | 0 | 0 | 112.3 | L9 A10 L16 L17 | L9-M13 VanDerWaalsContact O-CG 3.31Å; L9-M13 WeakPolarHBondContact O-CG 3.23Å; L9-M13 PolarHBondContact O-N 2.93Å; A10-M13 PolarHBondContact O-N 3Å; M13-L16 PolarHBondContact O-N 3.4Å; M13-L17 WeakPolarHBondContact O-CB 3.36Å; M13-L17 WeakPolarHBondContact O-CD1 3.38Å; M13-L17 PolarHBondContact O-N 3.12Å |
| 14 | S | 81.6 | Confident | 72.2 | Confident | 59 Ų | 59 | 104.7 Ų | 104.7 | 41% | 0.413 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.4 | -39.3 | 176.7 | 63.9 | 0 | 0 | 0 | 0 | 112.3 | A10 A11 L17 L18 | A10-S14 PolarHBondContact O-N 2.91Å; A10-S14 PolarHBondContact O-OG 3.34Å; A11-S14 PolarHBondContact O-OG 3.12Å; S14-L17 PolarHBondContact O-N 3.16Å; S14-L18 VanDerWaalsContact O-CG 3.31Å; S14-L18 WeakPolarHBondContact O-CG 3.5Å; S14-L18 PolarHBondContact O-N 3.31Å |
| 15 | V | 82.3 | Confident | 71.6 | Confident | 94 Ų | 94 | 110.9 Ų | 110.9 | 57% | 0.57 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64 | -41.2 | 173.6 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | A11 L12 L18 Y19 | A11-V15 VanDerWaalsContact O-CG2 3.3Å; A11-V15 WeakPolarHBondContact O-CG2 3.44Å; A11-V15 PolarHBondContact O-N 3.07Å; A11-V15 VanDerWaalsContact O-N 3.11Å; L12-V15 PolarHBondContact O-N 3.19Å; V15-L18 PolarHBondContact O-N 3.07Å; V15-Y19 WeakPolarHBondContact O-CB 3.45Å; V15-Y19 PolarHBondContact O-N 3.02Å |
| 16 | L | 79.4 | Confident | 71 | Confident | 91 Ų | 91 | 108.6 Ų | 108.6 | 48% | 0.476 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -64.1 | -41.4 | 176 | -174.5 | 65.4 | 0 | 0 | 0 | 111.9 | L12 M13 Y19 L20 | L12-L16 WeakPolarHBondContact O-CB 3.41Å; L12-L16 PolarHBondContact O-N 3.03Å; M13-L16 PolarHBondContact O-N 3.4Å; L16-Y19 PolarHBondContact O-N 3.35Å; L16-L20 HydrophobicContact CG-CD1 4.26Å; L16-L20 VanDerWaalsContact O-CG 3.3Å; L16-L20 WeakPolarHBondContact O-CG 3.43Å; L16-L20 PolarHBondContact O-N 2.83Å |
| 17 | L | 76.8 | Confident | 69.8 | Low | 105 Ų | 105 | 109 Ų | 109 | 55% | 0.55 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -62.7 | -41.6 | 174 | -92.3 | 148.2 | 0 | 0 | 0 | 112.2 | M13 S14 Y19 L20 C21 | M13-L17 WeakPolarHBondContact O-CB 3.36Å; M13-L17 WeakPolarHBondContact O-CD1 3.38Å; M13-L17 PolarHBondContact O-N 3.12Å; S14-L17 PolarHBondContact O-N 3.16Å; L17-Y19 VanDerWaalsContact C-N 3.32Å; L17-L20 PolarHBondContact O-N 3.4Å; L17-C21 VanDerWaalsContact O-CB 3.29Å; L17-C21 WeakPolarHBondContact O-CB 3.28Å; L17-C21 PolarHBondContact O-N 3.41Å |
| 18 | L | 73.1 | Confident | 68.4 | Low | 129 Ų | 129 | 107.2 Ų | 107.2 | 68% | 0.675 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -66.3 | -34.6 | 175.3 | -71 | 169.7 | 0 | 0 | 0 | 112.2 | S14 V15 C21 S22 | S14-L18 VanDerWaalsContact O-CG 3.31Å; S14-L18 WeakPolarHBondContact O-CG 3.5Å; S14-L18 PolarHBondContact O-N 3.31Å; V15-L18 PolarHBondContact O-N 3.07Å; L18-C21 PolarHBondContact O-N 3.34Å; L18-S22 PolarHBondContact O-N 3.22Å; L18-S22 VanDerWaalsContact O-N 3.15Å |
| 19 | Y | 73.2 | Confident | 67 | Low | 183 Ų | 183 | 108.5 Ų | 108.5 | 72% | 0.718 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -70.8 | -32.6 | 173.9 | -162.8 | -93.9 | 0 | 0 | 0 | 112.7 | V15 L16 L17 S22 | V15-Y19 WeakPolarHBondContact O-CB 3.45Å; V15-Y19 PolarHBondContact O-N 3.02Å; L16-Y19 PolarHBondContact O-N 3.35Å; L17-Y19 VanDerWaalsContact C-N 3.32Å; Y19-S22 PolarHBondContact O-OG 3.47Å |
| 20 | L | 68.4 | Low | 65.9 | Low | 131 Ų | 131 | 110.6 Ų | 110.6 | 69% | 0.686 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -78.8 | -27.4 | 174.3 | -68.5 | 169.4 | 0 | 0 | 0 | 112.5 | L16 L17 | L16-L20 HydrophobicContact CG-CD1 4.26Å; L16-L20 VanDerWaalsContact O-CG 3.3Å; L16-L20 WeakPolarHBondContact O-CG 3.43Å; L16-L20 PolarHBondContact O-N 2.83Å; L17-L20 PolarHBondContact O-N 3.4Å |
| 21 | C | 60.4 | Low | 65.9 | Low | 97 Ų | 97 | 115 Ų | 115 | 66% | 0.655 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -86 | -0.5 | 175.1 | -82 | 0 | 0 | 0 | 0 | 113.9 | L17 L18 E23 | L17-C21 VanDerWaalsContact O-CB 3.29Å; L17-C21 WeakPolarHBondContact O-CB 3.28Å; L17-C21 PolarHBondContact O-N 3.41Å; L18-C21 PolarHBondContact O-N 3.34Å; C21-E23 PolarHBondContact O-N 2.79Å |
| 22 | S | 60 | Low | 66.3 | Low | 73 Ų | 73 | 113.7 Ų | 113.7 | 51% | 0.51 | 63% | 0.632 | S | S | . | * | S | Bend | trans | -68.6 | 88.2 | 158.9 | 61.6 | 0 | 0 | 0 | 0 | 106.4 | L18 Y19 S24 | L18-S22 PolarHBondContact O-N 3.22Å; L18-S22 VanDerWaalsContact O-N 3.15Å; Y19-S22 PolarHBondContact O-OG 3.47Å; S22-S24 VanDerWaalsContact C-N 3.34Å; S22-S24 PolarHBondContact O-N 2.9Å |
| 23 | E | 53.8 | Low | 66.9 | Low | 172 Ų | 172 | 108.2 Ų | 108.2 | 80% | 0.804 | 60% | 0.603 | S | S | * | * | trans | -41.6 | 109 | 158.4 | -84.5 | -90.2 | 117.6 | 0 | 0 | 105.7 | C21 E25 | C21-E23 PolarHBondContact O-N 2.79Å; E23-E25 VanDerWaalsContact C-N 3.31Å; E23-E25 PolarHBondContact O-N 2.78Å | ||
| 24 | S | 53.8 | Low | 67.4 | Low | 97 Ų | 97 | 109.2 Ų | 109.2 | 68% | 0.678 | 61% | 0.61 | S | S | * | * | trans | -64 | 109.6 | 161.4 | 32.7 | 0 | 0 | 0 | 0 | 103.6 | S22 A26 | S22-S24 VanDerWaalsContact C-N 3.34Å; S22-S24 PolarHBondContact O-N 2.9Å; S24-A26 PolarHBondContact O-N 2.96Å | ||
| 25 | E | 47.2 | Very low | 68 | Low | 193 Ų | 193 | 116.6 Ų | 116.6 | 90% | 0.902 | 63% | 0.629 | S | S | * | * | trans | -65.6 | 48.7 | 156.4 | -68 | 176.4 | 129.1 | 0 | 0 | 108.5 | E23 A27 | E23-E25 VanDerWaalsContact C-N 3.31Å; E23-E25 PolarHBondContact O-N 2.78Å; E25-A27 PolarHBondContact O-N 2.84Å | ||
| 26 | A | 48.6 | Very low | 68.7 | Low | 86 Ų | 86 | 115.7 Ų | 115.7 | 71% | 0.711 | 62% | 0.616 | S | S | * | * | trans | -84.1 | 62 | 170.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | S24 | S24-A26 PolarHBondContact O-N 2.96Š| ||
| 27 | A | 45.3 | Very low | 69.5 | Low | 88 Ų | 88 | 112.8 Ų | 112.8 | 73% | 0.727 | 60% | 0.602 | S | S | * | * | trans | -134.6 | 42.3 | 165 | 0 | 0 | 0 | 0 | 0 | 110.3 | E25 | E25-A27 PolarHBondContact O-N 2.84Š| ||
| 28 | S | 44.7 | Very low | 70.3 | Confident | 87 Ų | 87 | 115.1 Ų | 115.1 | 61% | 0.608 | 62% | 0.615 | S | S | * | * | trans | -90.7 | 44.5 | 149.9 | 176.4 | 0 | 0 | 0 | 0 | 109.5 | F30 | S28-F30 PolarHBondContact O-N 3.07Š| ||
| 29 | N | 47.4 | Very low | 71.2 | Confident | 142 Ų | 142 | 118.5 Ų | 118.5 | 76% | 0.759 | 62% | 0.618 | S | S | * | * | trans | -66 | 111.5 | 145.9 | -96.7 | -2 | 0 | 0 | 0 | 103.7 | D31 | N29-D31 PolarHBondContact O-N 3.13Š| ||
| 30 | F | 56.3 | Low | 72.2 | Confident | 156 Ų | 156 | 115.9 Ų | 115.9 | 68% | 0.684 | 62% | 0.616 | S | S | * | * | trans | -56.3 | 103.2 | 163.7 | -69.3 | -84 | 0 | 0 | 0 | 105.6 | S28 C32 | S28-F30 PolarHBondContact O-N 3.07Å; F30-C32 PolarHBondContact O-N 3Å | ||
| 31 | D | 82.3 | Confident | 73.3 | Confident | 153 Ų | 153 | 111.2 Ų | 111.2 | 82% | 0.818 | 59% | 0.591 | S | S | * | * | trans | -74.2 | 80.1 | -174.9 | -137.2 | 14.6 | 0 | 0 | 0 | 106.6 | N29 | N29-D31 PolarHBondContact O-N 3.13Š| ||
| 32 | C | 92.9 | Very high | 74.8 | Confident | 23 Ų | 23 | 112.4 Ų | 112.4 | 16% | 0.155 | 59% | 0.587 | C | S | . | * | trans | -62.7 | 139.7 | -176.6 | -66.4 | 0 | 0 | 0 | 0 | 108.4 | F30 L34 T57 C58 | F30-C32 PolarHBondContact O-N 3Å; C32-L34 PolarHBondContact O-N 2.85Å; C32-L34 VanDerWaalsContact O-N 3.1Å; C32-T57 PolarHBondContact SG-O 2.98Å; C32-C58 HydrophobicContact CB-CB 3.8Å; C32-C58 WeakPolarHBondContact CB-SG 3.44Å; C32-C58 WeakPolarHBondContact SG-CA 3.39Å; C32-C58 WeakPolarHBondContact SG-CB 3.13Å; C32-C58 CovalentContact SG-SG 2.04Å; C32-C58 PolarHBondContact SG-SG 3.03Å | ||
| 33 | C | 95 | Very high | 76.3 | Confident | 2 Ų | 2 | 110.6 Ų | 110.6 | 1% | 0.014 | 57% | 0.573 | C | S | . | * | trans | -59.9 | 119.5 | 163.7 | -68.5 | 0 | 0 | 0 | 0 | 109.1 | Q52 I60 A62 I64 C74 | C33-Q52 PolarHBondContact O-NE2 2.88Å; C33-I60 HydrophobicContact CB-CD1 4.47Å; C33-I60 WeakPolarHBondContact O-CD1 3.02Å; C33-I60 WeakPolarHBondContact O-CG1 3.17Å; C33-A62 HydrophobicContact CB-CB 3.58Å; C33-I64 VanDerWaalsContact SG-CG1 3.55Å; C33-C74 VanDerWaalsContact CA-SG 3.5Å; C33-C74 HydrophobicContact CB-CB 3.65Å; C33-C74 WeakPolarHBondContact CB-SG 3.41Å; C33-C74 WeakPolarHBondContact SG-CB 3.42Å; C33-C74 CovalentContact SG-SG 2.03Å; C33-C74 PolarHBondContact SG-SG 3Å | ||
| 34 | L | 93.8 | Very high | 78.2 | Confident | 133 Ų | 133 | 109.4 Ų | 109.4 | 70% | 0.696 | 57% | 0.565 | S | S | * | * | trans | -100 | -18.8 | 172 | -57.7 | 179.3 | 0 | 0 | 0 | 112 | C32 | C32-L34 PolarHBondContact O-N 2.85Å; C32-L34 VanDerWaalsContact O-N 3.1Å | ||
| 35 | R | 93.9 | Very high | 80.1 | Confident | 214 Ų | 214 | 110.7 Ų | 110.7 | 81% | 0.808 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -143.8 | 157.8 | -179.4 | -73.8 | -172.6 | 155 | 179.1 | -6.6 | 111.4 | C74 | R35-C74 WeakPolarHBondContact O-CB 3.49Š|
| 36 | Y | 97.3 | Very high | 82.4 | Confident | 74 Ų | 74 | 102 Ų | 102 | 29% | 0.29 | 52% | 0.519 | S | S | . | . | trans | -98.3 | 152.2 | 174 | -52.9 | -50.8 | 0 | 0 | 0 | 110.9 | I60 N61 A62 C74 N76 | Y36-I60 HydrophobicContact CD1-CD1 4.41Å; Y36-I60 HydrophobicContact CE1-CD1 3.75Å; Y36-I60 HydrophobicContact CE1-CG1 4.49Å; Y36-N61 VanDerWaalsContact CE1-O 3.31Å; Y36-N61 WeakPolarHBondContact CE1-O 3.43Å; Y36-N61 PolarHBondContact OH-O 2.95Å; Y36-A62 HydrophobicContact CE1-CB 4.02Å; Y36-C74 CarbonylContact C-O 3.46Å; Y36-N76 HydrophobicContact CD1-CB 4.07Å; Y36-N76 HydrophobicContact CD2-CB 3.55Å; Y36-N76 HydrophobicContact CE1-CB 4.36Å; Y36-N76 HydrophobicContact CE2-CB 3.87Å; Y36-N76 HydrophobicContact CG-CB 3.64Å | ||
| 37 | T | 95.1 | Very high | 84.6 | Confident | 30 Ų | 30 | 102.1 Ų | 102.1 | 18% | 0.184 | 51% | 0.511 | C | S | . | . | trans | -71 | 137.6 | 165.2 | -166.1 | 0 | 0 | 0 | 0 | 110.4 | R39 V73 C74 A75 W81 | T37-R39 VanDerWaalsContact C-N 3.31Å; T37-R39 WeakPolarHBondContact CG2-O 3.38Å; T37-R39 PolarHBondContact OG1-N 2.99Å; T37-V73 HydrophobicContact CG2-CG1 3.63Å; T37-C74 WeakPolarHBondContact CG2-O 3.16Å; T37-C74 PolarHBondContact N-O 2.85Å; T37-A75 HydrophobicContact CG2-CB 4.39Å; T37-W81 HydrophobicContact CG2-CH2 4.36Å; T37-W81 HydrophobicContact CG2-CZ2 4.35Å | ||
| 38 | D | 93.1 | Very high | 87 | Confident | 154 Ų | 154 | 98.7 Ų | 98.7 | 82% | 0.824 | 48% | 0.484 | S | S | * | . | trans | -85.7 | -9.4 | 169.4 | -58.7 | -49 | 0 | 0 | 0 | 112.1 | ||||
| 39 | R | 93.3 | Very high | 89.4 | Confident | 200 Ų | 200 | 96.7 Ų | 96.7 | 76% | 0.755 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -89.7 | 130.6 | -176.6 | -61.8 | -172.5 | -176.4 | -174.4 | 2 | 110.9 | T37 L41 | T37-R39 VanDerWaalsContact C-N 3.31Å; T37-R39 WeakPolarHBondContact CG2-O 3.38Å; T37-R39 PolarHBondContact OG1-N 2.99Å; R39-L41 PolarHBondContact O-N 3.31Å |
| 40 | I | 93.3 | Very high | 91.7 | Very high | 129 Ų | 129 | 93.2 Ų | 93.2 | 66% | 0.662 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -71.6 | 121.7 | 170.8 | -59.5 | 175.9 | 0 | 0 | 0 | 108.7 | W81 | I40-W81 HydrophobicContact CG1-CG 4.45Å; I40-W81 HydrophobicContact CG2-CD2 4.18Å; I40-W81 HydrophobicContact CG2-CE3 4.42Å; I40-W81 HydrophobicContact CG2-CG 4.23Å |
| 41 | L | 92.4 | Very high | 93.6 | Very high | 33 Ų | 33 | 92 Ų | 92 | 17% | 0.173 | 45% | 0.445 | C | S | . | . | P | Polyproline II helix | trans | -86.7 | 130.7 | 177.2 | -61.6 | 175.1 | 0 | 0 | 0 | 110.6 | R39 I46 F65 V73 W81 I85 | R39-L41 PolarHBondContact O-N 3.31Å; L41-I46 HydrophobicContact CB-CD1 3.86Å; L41-I46 HydrophobicContact CB-CG1 4.43Å; L41-I46 HydrophobicContact CD1-CD1 4.34Å; L41-F65 HydrophobicContact CD1-CB 3.99Å; L41-F65 HydrophobicContact CD1-CD2 3.84Å; L41-F65 HydrophobicContact CD1-CG 4.26Å; L41-V73 HydrophobicContact CD1-CB 3.85Å; L41-V73 HydrophobicContact CD1-CG1 3.84Å; L41-V73 HydrophobicContact CD1-CG2 4.25Å; L41-W81 HydrophobicContact CB-CH2 4.31Å; L41-W81 HydrophobicContact CB-CZ3 4.02Å; L41-W81 HydrophobicContact CD1-CH2 4.34Å; L41-W81 HydrophobicContact CG-CH2 4.18Å; L41-W81 HydrophobicContact CG-CZ3 4.37Å; L41-I85 WeakPolarHBondContact O-CD1 3.41Å |
| 42 | H | 91.9 | Very high | 94.2 | Very high | 121 Ų | 121 | 85.7 Ų | 85.7 | 56% | 0.56 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -73.9 | 129.3 | 175.8 | -159.5 | -100.6 | 0 | 0 | 0 | 110.4 | K44 F45 | H42-K44 PolarHBondContact O-N 3.23Å; H42-F45 HydrophobicContact CB-CD2 3.76Å; H42-F45 HydrophobicContact CB-CE2 3.88Å; H42-F45 PolarHBondContact O-N 3.41Å |
| 43 | P | 91.4 | Very high | 94.3 | Very high | 35 Ų | 35 | 90.2 Ų | 90.2 | 23% | 0.227 | 43% | 0.432 | C | S | . | . | G | 310 helix | trans | -56.8 | -26.1 | -173.1 | -24.3 | 30.6 | 0 | 0 | 0 | 114.8 | F45 I46 I85 | P43-F45 PolarHBondContact O-N 3.01Å; P43-I46 PolarHBondContact O-N 2.65Å; P43-I85 HydrophobicContact CG-CD1 3.95Å; P43-I85 HydrophobicContact CG-CG1 3.98Å |
| 44 | K | 92.4 | Very high | 94.2 | Very high | 147 Ų | 147 | 92.3 Ų | 92.3 | 64% | 0.639 | 45% | 0.45 | S | S | * | . | G | 310 helix | trans | -60.9 | -23.8 | 178.7 | -173.6 | 175.4 | 178.8 | -179.1 | 0 | 113.3 | H42 K68 | H42-K44 PolarHBondContact O-N 3.23Å; K44-K68 VanDerWaalsContact O-CE 3.23Å; K44-K68 WeakPolarHBondContact O-CE 3.12Å; K44-K68 PolarHBondContact O-NZ 2.04Å |
| 45 | F | 94.2 | Very high | 94.1 | Very high | 124 Ų | 124 | 90.5 Ų | 90.5 | 54% | 0.544 | 44% | 0.441 | S | S | . | . | G | 310 helix | trans | -95 | -7.3 | -178.7 | -57.3 | -58.1 | 0 | 0 | 0 | 113.6 | H42 P43 T67 K68 | H42-F45 HydrophobicContact CB-CD2 3.76Å; H42-F45 HydrophobicContact CB-CE2 3.88Å; H42-F45 PolarHBondContact O-N 3.41Å; P43-F45 PolarHBondContact O-N 3.01Å; F45-T67 CarbonylContact O-C 3.48Å; F45-T67 WeakPolarHBondContact O-CA 3.36Å; F45-T67 WeakPolarHBondContact O-CB 3.14Å; F45-K68 PolarHBondContact O-N 3.49Å |
| 46 | I | 96 | Very high | 93.9 | Very high | 11 Ų | 11 | 90 Ų | 90 | 6% | 0.056 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 129.9 | -176.2 | -56.4 | 170.6 | 0 | 0 | 0 | 108.6 | L41 P43 G48 F65 H66 I85 L89 | L41-I46 HydrophobicContact CB-CD1 3.86Å; L41-I46 HydrophobicContact CB-CG1 4.43Å; L41-I46 HydrophobicContact CD1-CD1 4.34Å; P43-I46 PolarHBondContact O-N 2.65Å; I46-G48 VanDerWaalsContact CG2-O 3.3Å; I46-G48 WeakPolarHBondContact CG2-O 3.05Å; I46-F65 HydrophobicContact CD1-CB 4.36Å; I46-F65 HydrophobicContact CD1-CD1 4.03Å; I46-F65 HydrophobicContact CD1-CD2 4.37Å; I46-F65 HydrophobicContact CD1-CE1 4.43Å; I46-F65 HydrophobicContact CD1-CG 4Å; I46-F65 HydrophobicContact CG1-CB 4.45Å; I46-F65 HydrophobicContact CG2-CB 4.13Å; I46-F65 HydrophobicContact CG2-CD1 3.71Å; I46-F65 HydrophobicContact CG2-CG 4.23Å; I46-H66 WeakPolarHBondContact CA-O 3.43Å; I46-I85 HydrophobicContact CD1-CD1 3.71Å; I46-I85 HydrophobicContact CD1-CG2 3.76Å; I46-L89 HydrophobicContact CG2-CD1 3.73Å |
| 47 | V | 95.1 | Very high | 93.5 | Very high | 89 Ų | 89 | 90.8 Ų | 90.8 | 54% | 0.539 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | -26.8 | 178.3 | -64.4 | 0 | 0 | 0 | 0 | 112.5 | H66 K68 | V47-H66 HydrophobicContact CG2-CB 4.13Å; V47-H66 VanDerWaalsContact CG2-O 3.31Å; V47-H66 WeakPolarHBondContact CG2-O 3.35Å; V47-H66 PolarHBondContact N-O 3.32Å; V47-K68 HydrophobicContact CG1-CB 4.28Å; V47-K68 HydrophobicContact CG1-CD 4.42Å; V47-K68 HydrophobicContact CG1-CG 3.32Å |
| 48 | G | 95.2 | Very high | 93.3 | Very high | 16 Ų | 16 | 90 Ų | 90 | 17% | 0.165 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.7 | -179 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I46 H66 | I46-G48 VanDerWaalsContact CG2-O 3.3Å; I46-G48 WeakPolarHBondContact CG2-O 3.05Å; G48-H66 PolarHBondContact O-N 2.03Å |
| 49 | F | 96 | Very high | 93.3 | Very high | 45 Ų | 45 | 89.1 Ų | 89.1 | 20% | 0.197 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 153.8 | 175.7 | 72 | -83.2 | 0 | 0 | 0 | 110.7 | Q51 V63 I64 F65 V86 L89 | F49-Q51 HydrophobicContact CE2-CG 4.33Å; F49-V63 HydrophobicContact CB-CG1 4.03Å; F49-V63 HydrophobicContact CD2-CG1 4.22Å; F49-V63 HydrophobicContact CG-CG1 4.45Å; F49-I64 CarbonylContact C-O 3.6Å; F49-I64 WeakPolarHBondContact CA-O 2.97Å; F49-F65 HydrophobicContact CB-CD1 3.79Å; F49-F65 HydrophobicContact CB-CE1 4.02Å; F49-V86 HydrophobicContact CD2-CG1 4.43Å; F49-V86 HydrophobicContact CD2-CG2 4.15Å; F49-V86 HydrophobicContact CE1-CG1 4.2Å; F49-V86 HydrophobicContact CE2-CG1 3.84Å; F49-V86 HydrophobicContact CE2-CG2 4.37Å; F49-V86 HydrophobicContact CG-CG2 4.28Å; F49-V86 HydrophobicContact CZ-CG1 3.71Å; F49-L89 HydrophobicContact CB-CD1 4.43Å; F49-L89 HydrophobicContact CD1-CB 3.79Å; F49-L89 HydrophobicContact CD1-CD1 3.71Å; F49-L89 HydrophobicContact CD1-CG 4.41Å; F49-L89 HydrophobicContact CE1-CB 3.8Å; F49-L89 HydrophobicContact CG-CD1 4.5Å |
| 50 | T | 95.5 | Very high | 93.4 | Very high | 69 Ų | 69 | 81.7 Ų | 81.7 | 42% | 0.423 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 142.4 | 169.9 | -59.4 | 0 | 0 | 0 | 0 | 108.7 | I64 H66 | T50-I64 PolarHBondContact N-O 3.4Å; T50-I64 PolarHBondContact O-N 3.1Å; T50-H66 PolarHBondContact OG1-NE2 2.87Å |
| 51 | Q | 95.4 | Very high | 93.6 | Very high | 130 Ų | 130 | 79.1 Ų | 79.1 | 61% | 0.607 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 128.7 | 171.4 | -84.6 | 179.6 | -20.5 | 0 | 0 | 109.9 | F49 | F49-Q51 HydrophobicContact CE2-CG 4.33Å |
| 52 | Q | 94.9 | Very high | 93.9 | Very high | 20 Ų | 20 | 77.6 Ų | 77.6 | 9% | 0.093 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 128.1 | 166.7 | 179.8 | -178.8 | -60.2 | 0 | 0 | 108.2 | C33 C58 I60 N61 A62 I64 | C33-Q52 PolarHBondContact O-NE2 2.88Å; Q52-C58 HydrophobicContact CG-CB 4.16Å; Q52-I60 PolarHBondContact NE2-O 3.16Å; Q52-N61 WeakPolarHBondContact O-CA 3.31Å; Q52-A62 HydrophobicContact CB-CB 4.09Å; Q52-A62 PolarHBondContact N-O 2.84Å; Q52-A62 PolarHBondContact O-N 2.86Å; Q52-I64 HydrophobicContact CB-CD1 4.42Å |
| 53 | L | 95.1 | Very high | 94.1 | Very high | 118 Ų | 118 | 72.1 Ų | 72.1 | 62% | 0.618 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -101.5 | 144.7 | 173.5 | -62.7 | 175.9 | 0 | 0 | 0 | 109.6 | N61 | L53-N61 WeakPolarHBondContact CA-OD1 3.01Š|
| 54 | A | 93.4 | Very high | 94.4 | Very high | 46 Ų | 46 | 71.8 Ų | 71.8 | 38% | 0.38 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 128.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | C58 N61 | A54-C58 CarbonylContact C-O 3.51Å; A54-C58 WeakPolarHBondContact CA-O 3.5Å; A54-N61 PolarHBondContact N-OD1 2.84Å |
| 55 | N | 91.5 | Very high | 94.6 | Very high | 96 Ų | 96 | 64.8 Ų | 64.8 | 51% | 0.513 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -151.2 | -164.7 | 178.5 | 66.7 | 0.9 | 0 | 0 | 0 | 109.6 | T57 C58 | N55-T57 PolarHBondContact O-N 2.87Å; N55-T57 WeakPolarHBondContact OD1-CA 3.3Å; N55-T57 WeakPolarHBondContact OD1-CB 3.31Å; N55-T57 PolarHBondContact OD1-N 3.36Å; N55-C58 PolarHBondContact N-O 2.92Å; N55-C58 VanDerWaalsContact O-O 3.09Å; N55-C58 PolarHBondContact OD1-N 2.85Å |
| 56 | E | 88.8 | Confident | 94.7 | Very high | 202 Ų | 202 | 61.7 Ų | 61.7 | 94% | 0.944 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -65.5 | -14 | 177.4 | -60.6 | -177.2 | 176.2 | 0 | 0 | 113.8 | ||
| 57 | T | 88.6 | Confident | 94.7 | Very high | 91 Ų | 91 | 62 Ų | 62 | 56% | 0.558 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -103.5 | -41.7 | -177.1 | -47.5 | 0 | 0 | 0 | 0 | 112.6 | C32 N55 | C32-T57 PolarHBondContact SG-O 2.98Å; N55-T57 PolarHBondContact O-N 2.87Å; N55-T57 WeakPolarHBondContact OD1-CA 3.3Å; N55-T57 WeakPolarHBondContact OD1-CB 3.31Å; N55-T57 PolarHBondContact OD1-N 3.36Å |
| 58 | C | 92.8 | Very high | 94.6 | Very high | 14 Ų | 14 | 64.3 Ų | 64.3 | 10% | 0.095 | 34% | 0.339 | C | S | . | . | trans | -116.7 | 127.3 | 177.7 | -61.9 | 0 | 0 | 0 | 0 | 110.3 | C32 Q52 A54 N55 I60 | C32-C58 HydrophobicContact CB-CB 3.8Å; C32-C58 WeakPolarHBondContact CB-SG 3.44Å; C32-C58 WeakPolarHBondContact SG-CA 3.39Å; C32-C58 WeakPolarHBondContact SG-CB 3.13Å; C32-C58 CovalentContact SG-SG 2.04Å; C32-C58 PolarHBondContact SG-SG 3.03Å; Q52-C58 HydrophobicContact CG-CB 4.16Å; A54-C58 CarbonylContact C-O 3.51Å; A54-C58 WeakPolarHBondContact CA-O 3.5Å; N55-C58 PolarHBondContact N-O 2.92Å; N55-C58 VanDerWaalsContact O-O 3.09Å; N55-C58 PolarHBondContact OD1-N 2.85Å; C58-I60 PolarHBondContact O-N 2.82Å | ||
| 59 | D | 93.1 | Very high | 94.6 | Very high | 136 Ų | 136 | 72.2 Ų | 72.2 | 73% | 0.727 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -75.4 | -21.6 | -174.4 | -62.1 | -40.9 | 0 | 0 | 0 | 114.5 | ||
| 60 | I | 94.9 | Very high | 94.4 | Very high | 44 Ų | 44 | 73.3 Ų | 73.3 | 23% | 0.226 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -128.6 | 146.3 | -172.5 | 69.3 | 175.2 | 0 | 0 | 0 | 113.1 | C33 Y36 Q52 C58 | C33-I60 HydrophobicContact CB-CD1 4.47Å; C33-I60 WeakPolarHBondContact O-CD1 3.02Å; C33-I60 WeakPolarHBondContact O-CG1 3.17Å; Y36-I60 HydrophobicContact CD1-CD1 4.41Å; Y36-I60 HydrophobicContact CE1-CD1 3.75Å; Y36-I60 HydrophobicContact CE1-CG1 4.49Å; Q52-I60 PolarHBondContact NE2-O 3.16Å; C58-I60 PolarHBondContact O-N 2.82Å |
| 61 | N | 97.3 | Very high | 94.2 | Very high | 74 Ų | 74 | 75.1 Ų | 75.1 | 40% | 0.396 | 40% | 0.399 | S | S | . | . | trans | -73.7 | 132.9 | 167.5 | -64.8 | -64.6 | 0 | 0 | 0 | 109.5 | Y36 Q52 L53 A54 P77 | Y36-N61 VanDerWaalsContact CE1-O 3.31Å; Y36-N61 WeakPolarHBondContact CE1-O 3.43Å; Y36-N61 PolarHBondContact OH-O 2.95Å; Q52-N61 WeakPolarHBondContact O-CA 3.31Å; L53-N61 WeakPolarHBondContact CA-OD1 3.01Å; A54-N61 PolarHBondContact N-OD1 2.84Å; N61-P77 HydrophobicContact CB-CG 4.07Å; N61-P77 WeakPolarHBondContact O-CD 3.49Å | ||
| 62 | A | 97.5 | Very high | 94.2 | Very high | 2 Ų | 2 | 72.6 Ų | 72.6 | 2% | 0.017 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 153.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | C33 Y36 Q52 | C33-A62 HydrophobicContact CB-CB 3.58Å; Y36-A62 HydrophobicContact CE1-CB 4.02Å; Q52-A62 HydrophobicContact CB-CB 4.09Å; Q52-A62 PolarHBondContact N-O 2.84Å; Q52-A62 PolarHBondContact O-N 2.86Å |
| 63 | V | 97.6 | Very high | 94.2 | Very high | 5 Ų | 5 | 73.1 Ų | 73.1 | 3% | 0.03 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 118.3 | 162.4 | 176.7 | 0 | 0 | 0 | 0 | 107.3 | F49 F65 A75 P77 V82 V86 | F49-V63 HydrophobicContact CB-CG1 4.03Å; F49-V63 HydrophobicContact CD2-CG1 4.22Å; F49-V63 HydrophobicContact CG-CG1 4.45Å; V63-F65 HydrophobicContact CG1-CD1 4.16Å; V63-F65 HydrophobicContact CG1-CE1 3.76Å; V63-F65 HydrophobicContact CG1-CE2 4.17Å; V63-F65 HydrophobicContact CG1-CZ 3.78Å; V63-A75 PolarHBondContact N-O 2.82Å; V63-A75 PolarHBondContact O-N 2.88Å; V63-P77 HydrophobicContact CG2-CB 4.14Å; V63-V82 HydrophobicContact CB-CG1 3.81Å; V63-V82 HydrophobicContact CG1-CG1 4.17Å; V63-V82 HydrophobicContact CG2-CG1 3.8Å; V63-V86 HydrophobicContact CG1-CG2 3.75Å; V63-V86 HydrophobicContact CG2-CG2 4.28Å |
| 64 | I | 97.4 | Very high | 94.3 | Very high | 28 Ų | 28 | 69.1 Ų | 69.1 | 14% | 0.144 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 108.7 | 177.4 | -54.7 | 175.2 | 0 | 0 | 0 | 107.4 | C33 F49 T50 Q52 V73 | C33-I64 VanDerWaalsContact SG-CG1 3.55Å; F49-I64 CarbonylContact C-O 3.6Å; F49-I64 WeakPolarHBondContact CA-O 2.97Å; T50-I64 PolarHBondContact N-O 3.4Å; T50-I64 PolarHBondContact O-N 3.1Å; Q52-I64 HydrophobicContact CB-CD1 4.42Å; I64-V73 WeakPolarHBondContact CA-O 3.11Å |
| 65 | F | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 126.6 | 173.9 | -71.6 | -57.8 | 0 | 0 | 0 | 110.7 | L41 I46 F49 V63 S72 V73 A75 W81 V82 I85 V86 L89 | L41-F65 HydrophobicContact CD1-CB 3.99Å; L41-F65 HydrophobicContact CD1-CD2 3.84Å; L41-F65 HydrophobicContact CD1-CG 4.26Å; I46-F65 HydrophobicContact CD1-CB 4.36Å; I46-F65 HydrophobicContact CD1-CD1 4.03Å; I46-F65 HydrophobicContact CD1-CD2 4.37Å; I46-F65 HydrophobicContact CD1-CE1 4.43Å; I46-F65 HydrophobicContact CD1-CG 4Å; I46-F65 HydrophobicContact CG1-CB 4.45Å; I46-F65 HydrophobicContact CG2-CB 4.13Å; I46-F65 HydrophobicContact CG2-CD1 3.71Å; I46-F65 HydrophobicContact CG2-CG 4.23Å; F49-F65 HydrophobicContact CB-CD1 3.79Å; F49-F65 HydrophobicContact CB-CE1 4.02Å; V63-F65 HydrophobicContact CG1-CD1 4.16Å; V63-F65 HydrophobicContact CG1-CE1 3.76Å; V63-F65 HydrophobicContact CG1-CE2 4.17Å; V63-F65 HydrophobicContact CG1-CZ 3.78Å; F65-S72 WeakPolarHBondContact O-CA 3.45Å; F65-V73 PolarHBondContact N-O 3.06Å; F65-V73 PolarHBondContact O-N 2.72Å; F65-A75 HydrophobicContact CD2-CB 3.74Å; F65-A75 HydrophobicContact CE2-CB 3.62Å; F65-W81 HydrophobicContact CD2-CH2 4.2Å; F65-W81 HydrophobicContact CD2-CZ3 4.08Å; F65-W81 HydrophobicContact CE2-CE3 4.4Å; F65-W81 AromaticContact CE2-CH2 3.8Å; F65-W81 HydrophobicContact CE2-CH2 3.8Å; F65-W81 AromaticContact CE2-CZ3 3.47Å; F65-W81 HydrophobicContact CE2-CZ3 3.47Å; F65-W81 VanDerWaalsContact CE2-CZ3 3.47Å; F65-W81 HydrophobicContact CZ-CZ3 4.27Å; F65-V82 HydrophobicContact CE2-CB 4.42Å; F65-V82 HydrophobicContact CE2-CG1 3.96Å; F65-V82 HydrophobicContact CE2-CG2 4.23Å; F65-V82 HydrophobicContact CZ-CB 4.43Å; F65-V82 HydrophobicContact CZ-CG1 3.84Å; F65-I85 HydrophobicContact CD1-CG2 4.25Å; F65-I85 HydrophobicContact CE1-CB 4.14Å; F65-I85 HydrophobicContact CE1-CG2 3.51Å; F65-I85 HydrophobicContact CZ-CB 3.98Å; F65-I85 HydrophobicContact CZ-CG2 3.84Å; F65-V86 HydrophobicContact CE1-CG2 4.08Å; F65-V86 HydrophobicContact CZ-CG2 4.18Å; F65-L89 HydrophobicContact CE1-CD1 4.39Å |
| 66 | H | 95.7 | Very high | 94.8 | Very high | 59 Ų | 59 | 63.8 Ų | 63.8 | 27% | 0.273 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 123.5 | 172.4 | -56.5 | -65.8 | 0 | 0 | 0 | 109 | I46 V47 G48 T50 S72 | I46-H66 WeakPolarHBondContact CA-O 3.43Å; V47-H66 HydrophobicContact CG2-CB 4.13Å; V47-H66 VanDerWaalsContact CG2-O 3.31Å; V47-H66 WeakPolarHBondContact CG2-O 3.35Å; V47-H66 PolarHBondContact N-O 3.32Å; G48-H66 PolarHBondContact O-N 2.03Å; T50-H66 PolarHBondContact OG1-NE2 2.87Å; H66-S72 PolarHBondContact ND1-OG 3.21Å; H66-S72 VanDerWaalsContact ND1-OG 3.16Å |
| 67 | T | 94.9 | Very high | 95.2 | Very high | 18 Ų | 18 | 55.9 Ų | 55.9 | 11% | 0.11 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 159.8 | -177.8 | 68.8 | 0 | 0 | 0 | 0 | 111.8 | F45 K69 G70 L71 V73 | F45-T67 CarbonylContact O-C 3.48Å; F45-T67 WeakPolarHBondContact O-CA 3.36Å; F45-T67 WeakPolarHBondContact O-CB 3.14Å; T67-K69 PolarHBondContact O-N 2.73Å; T67-G70 PolarHBondContact O-N 2.79Å; T67-L71 PolarHBondContact N-O 2.9Å; T67-L71 WeakPolarHBondContact OG1-CB 3.19Å; T67-L71 PolarHBondContact OG1-N 2.9Å; T67-L71 VanDerWaalsContact OG1-N 3.13Å; T67-L71 PolarHBondContact OG1-O 2.83Å; T67-V73 HydrophobicContact CG2-CG2 4.21Å |
| 68 | K | 94.5 | Very high | 95.6 | Very high | 137 Ų | 137 | 59.3 Ų | 59.3 | 60% | 0.596 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -21 | 173.4 | -71.2 | -178.6 | 174.9 | 171.6 | 0 | 114 | K44 F45 V47 G70 | K44-K68 VanDerWaalsContact O-CE 3.23Å; K44-K68 WeakPolarHBondContact O-CE 3.12Å; K44-K68 PolarHBondContact O-NZ 2.04Å; F45-K68 PolarHBondContact O-N 3.49Å; V47-K68 HydrophobicContact CG1-CB 4.28Å; V47-K68 HydrophobicContact CG1-CD 4.42Å; V47-K68 HydrophobicContact CG1-CG 3.32Å; K68-G70 VanDerWaalsContact C-N 3.27Å |
| 69 | K | 93.5 | Very high | 95.8 | Very high | 182 Ų | 182 | 61.6 Ų | 61.6 | 79% | 0.791 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | 6.7 | 178.2 | -66.9 | -172 | 173.2 | -172 | 0 | 112.9 | T67 L71 | T67-K69 PolarHBondContact O-N 2.73Å; K69-L71 HydrophobicContact CB-CD1 4.5Å; K69-L71 HydrophobicContact CB-CG 4.36Å; K69-L71 PolarHBondContact O-N 3.19Å |
| 70 | G | 91.6 | Very high | 96 | Very high | 68 Ų | 68 | 60.6 Ų | 60.6 | 70% | 0.701 | 33% | 0.329 | S | S | * | . | S | Bend | trans | 76.5 | 5.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | T67 K68 | T67-G70 PolarHBondContact O-N 2.79Å; K68-G70 VanDerWaalsContact C-N 3.27Å |
| 71 | L | 92.6 | Very high | 96.1 | Very high | 108 Ų | 108 | 60.5 Ų | 60.5 | 57% | 0.565 | 33% | 0.326 | S | S | * | . | trans | -83.9 | 138.9 | 177.7 | -55.7 | 173.3 | 0 | 0 | 0 | 110.9 | T67 K69 | T67-L71 PolarHBondContact N-O 2.9Å; T67-L71 WeakPolarHBondContact OG1-CB 3.19Å; T67-L71 PolarHBondContact OG1-N 2.9Å; T67-L71 VanDerWaalsContact OG1-N 3.13Å; T67-L71 PolarHBondContact OG1-O 2.83Å; K69-L71 HydrophobicContact CB-CD1 4.5Å; K69-L71 HydrophobicContact CB-CG 4.36Å; K69-L71 PolarHBondContact O-N 3.19Å | ||
| 72 | S | 94.8 | Very high | 96.1 | Very high | 77 Ų | 77 | 57 Ų | 57 | 54% | 0.538 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 128.1 | 170.2 | -68.7 | 0 | 0 | 0 | 0 | 109.9 | F65 H66 | F65-S72 WeakPolarHBondContact O-CA 3.45Å; H66-S72 PolarHBondContact ND1-OG 3.21Å; H66-S72 VanDerWaalsContact ND1-OG 3.16Å |
| 73 | V | 95.8 | Very high | 96 | Very high | 30 Ų | 30 | 61.6 Ų | 61.6 | 18% | 0.182 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 117 | -177.7 | -174.3 | 0 | 0 | 0 | 0 | 110.3 | T37 L41 I64 F65 T67 | T37-V73 HydrophobicContact CG2-CG1 3.63Å; L41-V73 HydrophobicContact CD1-CB 3.85Å; L41-V73 HydrophobicContact CD1-CG1 3.84Å; L41-V73 HydrophobicContact CD1-CG2 4.25Å; I64-V73 WeakPolarHBondContact CA-O 3.11Å; F65-V73 PolarHBondContact N-O 3.06Å; F65-V73 PolarHBondContact O-N 2.72Å; T67-V73 HydrophobicContact CG2-CG2 4.21Å |
| 74 | C | 97.2 | Very high | 96 | Very high | 34 Ų | 34 | 66.3 Ų | 66.3 | 23% | 0.23 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 124.5 | 174.5 | -62.2 | 0 | 0 | 0 | 0 | 111.2 | C33 R35 Y36 T37 | C33-C74 VanDerWaalsContact CA-SG 3.5Å; C33-C74 HydrophobicContact CB-CB 3.65Å; C33-C74 WeakPolarHBondContact CB-SG 3.41Å; C33-C74 WeakPolarHBondContact SG-CB 3.42Å; C33-C74 CovalentContact SG-SG 2.03Å; C33-C74 PolarHBondContact SG-SG 3Å; R35-C74 WeakPolarHBondContact O-CB 3.49Å; Y36-C74 CarbonylContact C-O 3.46Å; T37-C74 WeakPolarHBondContact CG2-O 3.16Å; T37-C74 PolarHBondContact N-O 2.85Å |
| 75 | A | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 147.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | T37 V63 F65 P77 W81 V82 | T37-A75 HydrophobicContact CG2-CB 4.39Å; V63-A75 PolarHBondContact N-O 2.82Å; V63-A75 PolarHBondContact O-N 2.88Å; F65-A75 HydrophobicContact CD2-CB 3.74Å; F65-A75 HydrophobicContact CE2-CB 3.62Å; A75-P77 WeakPolarHBondContact O-CD 3.29Å; A75-W81 HydrophobicContact CB-CH2 3.82Å; A75-W81 HydrophobicContact CB-CZ2 4.16Å; A75-V82 HydrophobicContact CB-CG1 4.3Å; A75-V82 HydrophobicContact CB-CG2 3.74Å |
| 76 | N | 97.9 | Very high | 95.9 | Very high | 30 Ų | 30 | 66.3 Ų | 66.3 | 16% | 0.16 | 35% | 0.352 | C | S | . | . | trans | -73.6 | 118.2 | -176.8 | -175.2 | -21.6 | 0 | 0 | 0 | 110.9 | Y36 K78 Q79 V82 | Y36-N76 HydrophobicContact CD1-CB 4.07Å; Y36-N76 HydrophobicContact CD2-CB 3.55Å; Y36-N76 HydrophobicContact CE1-CB 4.36Å; Y36-N76 HydrophobicContact CE2-CB 3.87Å; Y36-N76 HydrophobicContact CG-CB 3.64Å; N76-K78 PolarHBondContact O-N 2.85Å; N76-K78 VanDerWaalsContact OD1-CB 3.28Å; N76-K78 WeakPolarHBondContact OD1-CB 3.3Å; N76-K78 PolarHBondContact OD1-N 3.15Å; N76-Q79 HydrophobicContact CB-CG 3.97Å; N76-Q79 PolarHBondContact O-N 3.49Å; N76-Q79 VanDerWaalsContact O-N 3.09Å; N76-V82 WeakPolarHBondContact O-CG2 3.31Å | ||
| 77 | P | 97.3 | Very high | 95.9 | Very high | 36 Ų | 36 | 71.9 Ų | 71.9 | 23% | 0.234 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -18.1 | -178.3 | 25.2 | -34.1 | 0 | 0 | 0 | 113.4 | N61 V63 A75 K83 | N61-P77 HydrophobicContact CB-CG 4.07Å; N61-P77 WeakPolarHBondContact O-CD 3.49Å; V63-P77 HydrophobicContact CG2-CB 4.14Å; A75-P77 WeakPolarHBondContact O-CD 3.29Å; P77-K83 WeakPolarHBondContact O-CE 3.44Å |
| 78 | K | 97 | Very high | 95.9 | Very high | 164 Ų | 164 | 78.5 Ų | 78.5 | 71% | 0.713 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -22.8 | 179.3 | -59.6 | -178.9 | 179.1 | 178.4 | 0 | 112.8 | N76 K83 | N76-K78 PolarHBondContact O-N 2.85Å; N76-K78 VanDerWaalsContact OD1-CB 3.28Å; N76-K78 WeakPolarHBondContact OD1-CB 3.3Å; N76-K78 PolarHBondContact OD1-N 3.15Å; K78-K83 PolarHBondContact O-NZ 3.29Å |
| 79 | Q | 97.2 | Very high | 95.9 | Very high | 61 Ų | 61 | 72.9 Ų | 72.9 | 29% | 0.285 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -73.3 | 140 | -176.4 | -70.6 | 179.4 | 5.2 | 0 | 0 | 112.6 | N76 W81 V82 K83 | N76-Q79 HydrophobicContact CB-CG 3.97Å; N76-Q79 PolarHBondContact O-N 3.49Å; N76-Q79 VanDerWaalsContact O-N 3.09Å; Q79-W81 PolarHBondContact O-N 3.37Å; Q79-V82 HydrophobicContact CB-CB 4.48Å; Q79-V82 HydrophobicContact CB-CG2 3.96Å; Q79-V82 WeakPolarHBondContact O-CB 3.31Å; Q79-V82 PolarHBondContact O-N 2.86Å; Q79-K83 PolarHBondContact O-N 2.95Å |
| 80 | T | 96.6 | Very high | 95.9 | Very high | 116 Ų | 116 | 66.2 Ų | 66.2 | 71% | 0.712 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -62.3 | -41.7 | -174.2 | -53 | 0 | 0 | 0 | 0 | 112.9 | V82 K83 L84 | T80-V82 VanDerWaalsContact C-N 3.33Å; T80-V82 PolarHBondContact O-N 3.32Å; T80-K83 PolarHBondContact O-N 2.94Å; T80-L84 PolarHBondContact O-N 2.93Å |
| 81 | W | 96 | Very high | 96 | Very high | 42 Ų | 42 | 70.6 Ų | 70.6 | 16% | 0.159 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.4 | -37.5 | 179.9 | 71.3 | -94.6 | 0 | 0 | 0 | 111.7 | T37 I40 L41 F65 A75 Q79 L84 I85 | T37-W81 HydrophobicContact CG2-CH2 4.36Å; T37-W81 HydrophobicContact CG2-CZ2 4.35Å; I40-W81 HydrophobicContact CG1-CG 4.45Å; I40-W81 HydrophobicContact CG2-CD2 4.18Å; I40-W81 HydrophobicContact CG2-CE3 4.42Å; I40-W81 HydrophobicContact CG2-CG 4.23Å; L41-W81 HydrophobicContact CB-CH2 4.31Å; L41-W81 HydrophobicContact CB-CZ3 4.02Å; L41-W81 HydrophobicContact CD1-CH2 4.34Å; L41-W81 HydrophobicContact CG-CH2 4.18Å; L41-W81 HydrophobicContact CG-CZ3 4.37Å; F65-W81 HydrophobicContact CD2-CH2 4.2Å; F65-W81 HydrophobicContact CD2-CZ3 4.08Å; F65-W81 HydrophobicContact CE2-CE3 4.4Å; F65-W81 AromaticContact CE2-CH2 3.8Å; F65-W81 HydrophobicContact CE2-CH2 3.8Å; F65-W81 AromaticContact CE2-CZ3 3.47Å; F65-W81 HydrophobicContact CE2-CZ3 3.47Å; F65-W81 VanDerWaalsContact CE2-CZ3 3.47Å; F65-W81 HydrophobicContact CZ-CZ3 4.27Å; A75-W81 HydrophobicContact CB-CH2 3.82Å; A75-W81 HydrophobicContact CB-CZ2 4.16Å; Q79-W81 PolarHBondContact O-N 3.37Å; W81-L84 PolarHBondContact O-N 3.29Å; W81-I85 HydrophobicContact CE3-CD1 3.57Å; W81-I85 HydrophobicContact CE3-CG1 4.43Å; W81-I85 HydrophobicContact CZ3-CD1 3.85Å; W81-I85 WeakPolarHBondContact O-CG1 3.44Å; W81-I85 PolarHBondContact O-N 2.92Å |
| 82 | V | 97.3 | Very high | 95.9 | Very high | 1 Ų | 1 | 72.6 Ų | 72.6 | 1% | 0.006 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.3 | -51 | 176.5 | 178.7 | 0 | 0 | 0 | 0 | 109.9 | V63 F65 A75 N76 Q79 T80 L84 I85 V86 | V63-V82 HydrophobicContact CB-CG1 3.81Å; V63-V82 HydrophobicContact CG1-CG1 4.17Å; V63-V82 HydrophobicContact CG2-CG1 3.8Å; F65-V82 HydrophobicContact CE2-CB 4.42Å; F65-V82 HydrophobicContact CE2-CG1 3.96Å; F65-V82 HydrophobicContact CE2-CG2 4.23Å; F65-V82 HydrophobicContact CZ-CB 4.43Å; F65-V82 HydrophobicContact CZ-CG1 3.84Å; A75-V82 HydrophobicContact CB-CG1 4.3Å; A75-V82 HydrophobicContact CB-CG2 3.74Å; N76-V82 WeakPolarHBondContact O-CG2 3.31Å; Q79-V82 HydrophobicContact CB-CB 4.48Å; Q79-V82 HydrophobicContact CB-CG2 3.96Å; Q79-V82 WeakPolarHBondContact O-CB 3.31Å; Q79-V82 PolarHBondContact O-N 2.86Å; T80-V82 VanDerWaalsContact C-N 3.33Å; T80-V82 PolarHBondContact O-N 3.32Å; V82-L84 VanDerWaalsContact C-N 3.3Å; V82-L84 PolarHBondContact O-N 3.38Å; V82-I85 PolarHBondContact O-N 3.03Å; V82-V86 HydrophobicContact CG1-CG2 4.49Å; V82-V86 WeakPolarHBondContact O-CG2 3.48Å; V82-V86 PolarHBondContact O-N 3.11Å |
| 83 | K | 97.2 | Very high | 95.6 | Very high | 98 Ų | 98 | 73.9 Ų | 73.9 | 43% | 0.426 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58.5 | -40.8 | 177.3 | -65.5 | 175.8 | -175.1 | 171.9 | 0 | 112.1 | P77 K78 Q79 T80 R87 | P77-K83 WeakPolarHBondContact O-CE 3.44Å; K78-K83 PolarHBondContact O-NZ 3.29Å; Q79-K83 PolarHBondContact O-N 2.95Å; T80-K83 PolarHBondContact O-N 2.94Å; K83-R87 WeakPolarHBondContact O-CB 3.48Å; K83-R87 VanDerWaalsContact O-CG 3.23Å; K83-R87 WeakPolarHBondContact O-CG 3.3Å; K83-R87 PolarHBondContact O-N 3.47Å |
| 84 | L | 96.1 | Very high | 95.1 | Very high | 104 Ų | 104 | 79 Ų | 79 | 55% | 0.545 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.2 | -42.3 | 179.7 | -173.6 | 132.7 | 0 | 0 | 0 | 112.1 | T80 W81 V82 R88 | T80-L84 PolarHBondContact O-N 2.93Å; W81-L84 PolarHBondContact O-N 3.29Å; V82-L84 VanDerWaalsContact C-N 3.3Å; V82-L84 PolarHBondContact O-N 3.38Å; L84-R88 PolarHBondContact O-N 2.92Å; L84-R88 VanDerWaalsContact O-N 3.07Å |
| 85 | I | 96.1 | Very high | 94.4 | Very high | 6 Ų | 6 | 86.4 Ų | 86.4 | 3% | 0.031 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -66.1 | -47.6 | 176.7 | -66.8 | -177.2 | 0 | 0 | 0 | 110.8 | L41 P43 I46 F65 W81 V82 R87 R88 L89 | L41-I85 WeakPolarHBondContact O-CD1 3.41Å; P43-I85 HydrophobicContact CG-CD1 3.95Å; P43-I85 HydrophobicContact CG-CG1 3.98Å; I46-I85 HydrophobicContact CD1-CD1 3.71Å; I46-I85 HydrophobicContact CD1-CG2 3.76Å; F65-I85 HydrophobicContact CD1-CG2 4.25Å; F65-I85 HydrophobicContact CE1-CB 4.14Å; F65-I85 HydrophobicContact CE1-CG2 3.51Å; F65-I85 HydrophobicContact CZ-CB 3.98Å; F65-I85 HydrophobicContact CZ-CG2 3.84Å; W81-I85 HydrophobicContact CE3-CD1 3.57Å; W81-I85 HydrophobicContact CE3-CG1 4.43Å; W81-I85 HydrophobicContact CZ3-CD1 3.85Å; W81-I85 WeakPolarHBondContact O-CG1 3.44Å; W81-I85 PolarHBondContact O-N 2.92Å; V82-I85 PolarHBondContact O-N 3.03Å; I85-R87 VanDerWaalsContact C-N 3.34Å; I85-R87 PolarHBondContact O-N 3.32Å; I85-R88 WeakPolarHBondContact O-CB 3.29Å; I85-R88 PolarHBondContact O-N 3.44Å; I85-R88 VanDerWaalsContact O-N 3.12Å; I85-L89 HydrophobicContact CG2-CD1 3.77Å; I85-L89 HydrophobicContact CG2-CG 4.28Å; I85-L89 WeakPolarHBondContact O-CG 3.46Å; I85-L89 PolarHBondContact O-N 3.02Å |
| 86 | V | 96.8 | Very high | 93.1 | Very high | 21 Ų | 21 | 97 Ų | 97 | 13% | 0.127 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -54.7 | -50.3 | 176.6 | 168 | 0 | 0 | 0 | 0 | 110.4 | F49 V63 F65 V82 R88 L89 S90 | F49-V86 HydrophobicContact CD2-CG1 4.43Å; F49-V86 HydrophobicContact CD2-CG2 4.15Å; F49-V86 HydrophobicContact CE1-CG1 4.2Å; F49-V86 HydrophobicContact CE2-CG1 3.84Å; F49-V86 HydrophobicContact CE2-CG2 4.37Å; F49-V86 HydrophobicContact CG-CG2 4.28Å; F49-V86 HydrophobicContact CZ-CG1 3.71Å; V63-V86 HydrophobicContact CG1-CG2 3.75Å; V63-V86 HydrophobicContact CG2-CG2 4.28Å; F65-V86 HydrophobicContact CE1-CG2 4.08Å; F65-V86 HydrophobicContact CZ-CG2 4.18Å; V82-V86 HydrophobicContact CG1-CG2 4.49Å; V82-V86 WeakPolarHBondContact O-CG2 3.48Å; V82-V86 PolarHBondContact O-N 3.11Å; V86-R88 VanDerWaalsContact C-N 3.32Å; V86-R88 PolarHBondContact O-N 2.99Å; V86-L89 PolarHBondContact O-N 3.38Å; V86-L89 VanDerWaalsContact O-N 3.12Å; V86-S90 PolarHBondContact O-N 3.03Å; V86-S90 PolarHBondContact O-OG 2.99Å; V86-S90 VanDerWaalsContact O-OG 3.07Å |
| 87 | R | 96 | Very high | 92.9 | Very high | 177 Ų | 177 | 100.4 Ų | 100.4 | 67% | 0.668 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -57.1 | -42.1 | 177 | -74.4 | 171.1 | -178.5 | 174.6 | -0.2 | 112.9 | K83 I85 K91 | K83-R87 WeakPolarHBondContact O-CB 3.48Å; K83-R87 VanDerWaalsContact O-CG 3.23Å; K83-R87 WeakPolarHBondContact O-CG 3.3Å; K83-R87 PolarHBondContact O-N 3.47Å; I85-R87 VanDerWaalsContact C-N 3.34Å; I85-R87 PolarHBondContact O-N 3.32Å; R87-K91 WeakPolarHBondContact O-CG 3.27Å; R87-K91 PolarHBondContact O-N 3.45Å; R87-K91 VanDerWaalsContact O-N 3.07Å |
| 88 | R | 94.6 | Very high | 92.6 | Very high | 156 Ų | 156 | 103.7 Ų | 103.7 | 59% | 0.589 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.8 | -43.7 | 177.2 | 176.6 | -178.8 | -94.5 | 175.3 | -6 | 111.1 | L84 I85 V86 K92 | L84-R88 PolarHBondContact O-N 2.92Å; L84-R88 VanDerWaalsContact O-N 3.07Å; I85-R88 WeakPolarHBondContact O-CB 3.29Å; I85-R88 PolarHBondContact O-N 3.44Å; I85-R88 VanDerWaalsContact O-N 3.12Å; V86-R88 VanDerWaalsContact C-N 3.32Å; V86-R88 PolarHBondContact O-N 2.99Å; R88-K92 PolarHBondContact O-N 3.47Å; R88-K92 VanDerWaalsContact O-N 3.16Å |
| 89 | L | 94.3 | Very high | 92.4 | Very high | 20 Ų | 20 | 100.4 Ų | 100.4 | 11% | 0.105 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -67.4 | -45.7 | 179.2 | -68 | 172 | 0 | 0 | 0 | 111.3 | I46 F49 F65 I85 V86 K91 K92 I93 | I46-L89 HydrophobicContact CG2-CD1 3.73Å; F49-L89 HydrophobicContact CB-CD1 4.43Å; F49-L89 HydrophobicContact CD1-CB 3.79Å; F49-L89 HydrophobicContact CD1-CD1 3.71Å; F49-L89 HydrophobicContact CD1-CG 4.41Å; F49-L89 HydrophobicContact CE1-CB 3.8Å; F49-L89 HydrophobicContact CG-CD1 4.5Å; F65-L89 HydrophobicContact CE1-CD1 4.39Å; I85-L89 HydrophobicContact CG2-CD1 3.77Å; I85-L89 HydrophobicContact CG2-CG 4.28Å; I85-L89 WeakPolarHBondContact O-CG 3.46Å; I85-L89 PolarHBondContact O-N 3.02Å; V86-L89 PolarHBondContact O-N 3.38Å; V86-L89 VanDerWaalsContact O-N 3.12Å; L89-K91 VanDerWaalsContact C-N 3.32Å; L89-K91 PolarHBondContact O-N 3Å; L89-K92 WeakPolarHBondContact O-CA 3.35Å; L89-K92 WeakPolarHBondContact O-CB 3.34Å; L89-K92 PolarHBondContact O-N 3.15Å; L89-I93 WeakPolarHBondContact O-CG1 3.44Å; L89-I93 PolarHBondContact O-N 3.41Å |
| 90 | S | 93.9 | Very high | 92.1 | Very high | 41 Ų | 41 | 102.7 Ų | 102.7 | 29% | 0.287 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.2 | -42.2 | 175.7 | -57.6 | 0 | 0 | 0 | 0 | 112.4 | V86 K92 I93 N94 | V86-S90 PolarHBondContact O-N 3.03Å; V86-S90 PolarHBondContact O-OG 2.99Å; V86-S90 VanDerWaalsContact O-OG 3.07Å; S90-K92 VanDerWaalsContact C-N 3.29Å; S90-K92 PolarHBondContact O-N 3.39Å; S90-I93 PolarHBondContact O-N 3.43Å; S90-N94 PolarHBondContact O-N 3.4Å; S90-N94 PolarHBondContact O-ND2 2.99Å |
| 91 | K | 94.3 | Very high | 91.8 | Very high | 161 Ų | 161 | 101.9 Ų | 101.9 | 70% | 0.7 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -62.5 | -35.7 | 174.4 | -76.9 | -177.4 | 178.1 | -171.5 | 0 | 112.9 | R87 L89 K95 | R87-K91 WeakPolarHBondContact O-CG 3.27Å; R87-K91 PolarHBondContact O-N 3.45Å; R87-K91 VanDerWaalsContact O-N 3.07Å; L89-K91 VanDerWaalsContact C-N 3.32Å; L89-K91 PolarHBondContact O-N 3Å; K91-K95 WeakPolarHBondContact O-CB 3.24Å; K91-K95 PolarHBondContact O-N 2.95Å |
| 92 | K | 89.8 | Confident | 91.6 | Very high | 149 Ų | 149 | 105.9 Ų | 105.9 | 65% | 0.648 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -68.3 | -41.7 | 177.6 | -174 | 179.5 | 176.6 | -176.8 | 0 | 111.1 | R88 L89 S90 K95 M96 | R88-K92 PolarHBondContact O-N 3.47Å; R88-K92 VanDerWaalsContact O-N 3.16Å; L89-K92 WeakPolarHBondContact O-CA 3.35Å; L89-K92 WeakPolarHBondContact O-CB 3.34Å; L89-K92 PolarHBondContact O-N 3.15Å; S90-K92 VanDerWaalsContact C-N 3.29Å; S90-K92 PolarHBondContact O-N 3.39Å; K92-K95 PolarHBondContact O-N 3.4Å; K92-M96 PolarHBondContact O-N 3.01Å |
| 93 | I | 87.9 | Confident | 91.1 | Very high | 105 Ų | 105 | 113.4 Ų | 113.4 | 54% | 0.538 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.6 | -46 | 178.2 | -63.7 | 168 | 0 | 0 | 0 | 110.5 | L89 S90 K95 M96 | L89-I93 WeakPolarHBondContact O-CG1 3.44Å; L89-I93 PolarHBondContact O-N 3.41Å; S90-I93 PolarHBondContact O-N 3.43Å; I93-K95 PolarHBondContact O-N 3.47Å; I93-M96 PolarHBondContact O-N 3.47Å |
| 94 | N | 86.1 | Confident | 90.7 | Very high | 137 Ų | 137 | 114.5 Ų | 114.5 | 73% | 0.733 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -15 | -179.5 | -68.8 | -21.9 | 0 | 0 | 0 | 114.7 | S90 | S90-N94 PolarHBondContact O-N 3.4Å; S90-N94 PolarHBondContact O-ND2 2.99Å |
| 95 | K | 83.3 | Confident | 90.2 | Very high | 190 Ų | 190 | 115.4 Ų | 115.4 | 83% | 0.826 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -11.6 | 178.9 | -171.2 | 171.8 | 179.9 | -179.7 | 0 | 112.2 | K91 K92 I93 | K91-K95 WeakPolarHBondContact O-CB 3.24Å; K91-K95 PolarHBondContact O-N 2.95Å; K92-K95 PolarHBondContact O-N 3.4Å; I93-K95 PolarHBondContact O-N 3.47Å |
| 96 | M | 69.6 | Low | 89.7 | Confident | 222 Ų | 222 | 125.4 Ų | 125.4 | 100% | 1.094 | 57% | 0.574 | S | S | * | * | trans | -89.7 | 0 | -179.5 | -158.1 | 163.6 | -178.7 | 0 | 0 | 109.6 | K92 I93 | K92-M96 PolarHBondContact O-N 3.01Å; I93-M96 PolarHBondContact O-N 3.47Å |
Retrieved 96 of 96 residues in 145.8 ms
(Link to these results)