| 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 | 61.1 | Low | 85.2 | Confident | 211 Ų | 211 | 118.7 Ų | 118.7 | 100% | 1.039 | 63% | 0.628 | S | S | * | * | 0 | -15.1 | 0 | -59.7 | 176.1 | 88.2 | 0 | 0 | 115.1 | S4 | M1-S4 PolarHBondContact O-OG 3.48Š| |||
| 2 | K | 68.1 | Low | 86.1 | Confident | 184 Ų | 184 | 118 Ų | 118 | 80% | 0.8 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -77.3 | -38.2 | 176.8 | -84.6 | 175.1 | 161.3 | 110.4 | 0 | 114.4 | S5 R6 | K2-S5 PolarHBondContact O-N 3.13Å; K2-R6 PolarHBondContact O-N 3.23Å |
| 3 | A | 70.1 | Confident | 86.9 | Confident | 75 Ų | 75 | 118.3 Ų | 118.3 | 62% | 0.62 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -65.1 | -42.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S5 R6 V7 | A3-S5 VanDerWaalsContact C-N 3.31Å; A3-S5 PolarHBondContact O-N 3.27Å; A3-R6 PolarHBondContact O-N 2.99Å; A3-V7 WeakPolarHBondContact O-CG2 3.34Å; A3-V7 PolarHBondContact O-N 3.4Å; A3-V7 VanDerWaalsContact O-N 3.13Å |
| 4 | S | 84.9 | Confident | 87.5 | Confident | 77 Ų | 77 | 118.3 Ų | 118.3 | 54% | 0.538 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -62.1 | -35.7 | 175.9 | 49.3 | 0 | 0 | 0 | 0 | 113.1 | M1 V7 M8 | M1-S4 PolarHBondContact O-OG 3.48Å; S4-V7 PolarHBondContact O-N 3.01Å; S4-M8 WeakPolarHBondContact O-CB 3.42Å; S4-M8 PolarHBondContact O-N 2.94Å |
| 5 | S | 88.2 | Confident | 88 | Confident | 59 Ų | 59 | 114 Ų | 114 | 41% | 0.413 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -65.4 | -41.4 | 175 | 168.2 | 0 | 0 | 0 | 0 | 112.3 | K2 A3 M8 V9 | K2-S5 PolarHBondContact O-N 3.13Å; A3-S5 VanDerWaalsContact C-N 3.31Å; A3-S5 PolarHBondContact O-N 3.27Å; S5-M8 PolarHBondContact O-N 3.28Å; S5-V9 WeakPolarHBondContact O-CG2 3.45Å; S5-V9 PolarHBondContact O-N 3.37Å; S5-V9 VanDerWaalsContact O-N 3.08Å |
| 6 | R | 90.4 | Very high | 88.3 | Confident | 189 Ų | 189 | 112.4 Ų | 112.4 | 71% | 0.713 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.4 | -42.5 | 176.9 | -67.3 | -177.8 | 178.9 | -153.9 | -1.3 | 112 | K2 A3 M8 V9 Q10 | K2-R6 PolarHBondContact O-N 3.23Å; A3-R6 PolarHBondContact O-N 2.99Å; R6-M8 VanDerWaalsContact C-N 3.35Å; R6-V9 PolarHBondContact O-N 3.07Å; R6-Q10 WeakPolarHBondContact O-CG 3.41Å; R6-Q10 PolarHBondContact O-N 3.33Å |
| 7 | V | 94.2 | Very high | 88.4 | Confident | 83 Ų | 83 | 112.3 Ų | 112.3 | 50% | 0.503 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -62 | -44 | 176.5 | 174.5 | 0 | 0 | 0 | 0 | 110.7 | A3 S4 V9 Q10 V11 | A3-V7 WeakPolarHBondContact O-CG2 3.34Å; A3-V7 PolarHBondContact O-N 3.4Å; A3-V7 VanDerWaalsContact O-N 3.13Å; S4-V7 PolarHBondContact O-N 3.01Å; V7-V9 VanDerWaalsContact C-N 3.34Å; V7-V9 PolarHBondContact O-N 3.36Å; V7-Q10 PolarHBondContact O-N 3.22Å; V7-V11 HydrophobicContact CG1-CG2 4.38Å; V7-V11 WeakPolarHBondContact O-CG2 3.38Å; V7-V11 PolarHBondContact O-N 3.41Å |
| 8 | M | 93.6 | Very high | 88.3 | Confident | 129 Ų | 129 | 109.1 Ų | 109.1 | 64% | 0.635 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -60.4 | -42.2 | 177.5 | -174.1 | 176.8 | 66 | 0 | 0 | 112.4 | S4 S5 R6 V11 L12 | S4-M8 WeakPolarHBondContact O-CB 3.42Å; S4-M8 PolarHBondContact O-N 2.94Å; S5-M8 PolarHBondContact O-N 3.28Å; R6-M8 VanDerWaalsContact C-N 3.35Å; M8-V11 PolarHBondContact O-N 3.39Å; M8-L12 WeakPolarHBondContact O-CB 3.44Å; M8-L12 PolarHBondContact O-N 3.4Å |
| 9 | V | 94.7 | Very high | 88.3 | Confident | 86 Ų | 86 | 109.9 Ų | 109.9 | 52% | 0.521 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.3 | -40.5 | 176.4 | 173.6 | 0 | 0 | 0 | 0 | 111.5 | S5 R6 V7 L12 L13 | S5-V9 WeakPolarHBondContact O-CG2 3.45Å; S5-V9 PolarHBondContact O-N 3.37Å; S5-V9 VanDerWaalsContact O-N 3.08Å; R6-V9 PolarHBondContact O-N 3.07Å; V7-V9 VanDerWaalsContact C-N 3.34Å; V7-V9 PolarHBondContact O-N 3.36Å; V9-L12 PolarHBondContact O-N 3.47Å; V9-L13 WeakPolarHBondContact O-CB 3.4Å; V9-L13 PolarHBondContact O-N 2.95Å |
| 10 | Q | 95.4 | Very high | 88 | Confident | 123 Ų | 123 | 107.9 Ų | 107.9 | 58% | 0.575 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -64.2 | -44.8 | 177.1 | -75.1 | 176.5 | -26.9 | 0 | 0 | 112.2 | R6 V7 L12 L13 L14 | R6-Q10 WeakPolarHBondContact O-CG 3.41Å; R6-Q10 PolarHBondContact O-N 3.33Å; V7-Q10 PolarHBondContact O-N 3.22Å; Q10-L12 VanDerWaalsContact C-N 3.32Å; Q10-L12 PolarHBondContact O-N 3.49Å; Q10-L13 PolarHBondContact O-N 3.34Å; Q10-L14 WeakPolarHBondContact O-CB 3.37Å; Q10-L14 WeakPolarHBondContact O-CG 3.49Å; Q10-L14 PolarHBondContact O-N 2.92Å |
| 11 | V | 96.4 | Very high | 87.5 | Confident | 90 Ų | 90 | 106.3 Ų | 106.3 | 55% | 0.545 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.6 | -42.2 | 176.7 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | V7 M8 L14 A15 | V7-V11 HydrophobicContact CG1-CG2 4.38Å; V7-V11 WeakPolarHBondContact O-CG2 3.38Å; V7-V11 PolarHBondContact O-N 3.41Å; M8-V11 PolarHBondContact O-N 3.39Å; V11-L14 PolarHBondContact O-N 2.98Å; V11-A15 WeakPolarHBondContact O-CB 3.32Å; V11-A15 PolarHBondContact O-N 3.03Å |
| 12 | L | 96.3 | Very high | 88.1 | Confident | 110 Ų | 110 | 102.1 Ų | 102.1 | 58% | 0.576 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62 | -44.8 | 176.7 | -173 | 66.8 | 0 | 0 | 0 | 111.6 | M8 V9 Q10 A15 L16 | M8-L12 WeakPolarHBondContact O-CB 3.44Å; M8-L12 PolarHBondContact O-N 3.4Å; V9-L12 PolarHBondContact O-N 3.47Å; Q10-L12 VanDerWaalsContact C-N 3.32Å; Q10-L12 PolarHBondContact O-N 3.49Å; L12-A15 PolarHBondContact O-N 2.94Å; L12-L16 HydrophobicContact CG-CD1 4.05Å; L12-L16 WeakPolarHBondContact O-CB 3.28Å; L12-L16 WeakPolarHBondContact O-CD1 3.41Å; L12-L16 WeakPolarHBondContact O-CG 3.37Å; L12-L16 PolarHBondContact O-N 3.33Å |
| 13 | L | 96.3 | Very high | 88.1 | Confident | 122 Ų | 122 | 97 Ų | 97 | 64% | 0.639 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.7 | -40.5 | 179.1 | -162.2 | 73.1 | 0 | 0 | 0 | 112 | V9 Q10 L16 L17 | V9-L13 WeakPolarHBondContact O-CB 3.4Å; V9-L13 PolarHBondContact O-N 2.95Å; Q10-L13 PolarHBondContact O-N 3.34Å; L13-L16 PolarHBondContact O-N 3.08Å; L13-L17 WeakPolarHBondContact O-CB 3.4Å; L13-L17 PolarHBondContact O-N 3.12Å |
| 14 | L | 96.1 | Very high | 87.9 | Confident | 118 Ų | 118 | 100.1 Ų | 100.1 | 62% | 0.618 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.3 | -43.7 | 174.8 | -78.8 | 165.8 | 0 | 0 | 0 | 112 | Q10 V11 L17 A18 | Q10-L14 WeakPolarHBondContact O-CB 3.37Å; Q10-L14 WeakPolarHBondContact O-CG 3.49Å; Q10-L14 PolarHBondContact O-N 2.92Å; V11-L14 PolarHBondContact O-N 2.98Å; L14-L17 PolarHBondContact O-N 3.33Å; L14-A18 WeakPolarHBondContact O-CB 3.39Å; L14-A18 PolarHBondContact O-N 2.88Å |
| 15 | A | 94 | Very high | 86.8 | Confident | 54 Ų | 54 | 102.3 Ų | 102.3 | 45% | 0.446 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V11 L12 A18 Q19 | V11-A15 WeakPolarHBondContact O-CB 3.32Å; V11-A15 PolarHBondContact O-N 3.03Å; L12-A15 PolarHBondContact O-N 2.94Å; A15-A18 PolarHBondContact O-N 2.93Å; A15-Q19 WeakPolarHBondContact O-CB 3.4Å; A15-Q19 PolarHBondContact O-N 2.92Å |
| 16 | L | 93 | Very high | 85.4 | Confident | 88 Ų | 88 | 109.8 Ų | 109.8 | 46% | 0.461 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -59.6 | -46.2 | 174.5 | -79.2 | 156.7 | 0 | 0 | 0 | 111.6 | L12 L13 Q19 V20 | L12-L16 HydrophobicContact CG-CD1 4.05Å; L12-L16 WeakPolarHBondContact O-CB 3.28Å; L12-L16 WeakPolarHBondContact O-CD1 3.41Å; L12-L16 WeakPolarHBondContact O-CG 3.37Å; L12-L16 PolarHBondContact O-N 3.33Å; L13-L16 PolarHBondContact O-N 3.08Å; L16-Q19 PolarHBondContact O-N 3.33Å; L16-V20 WeakPolarHBondContact O-CB 3.47Å; L16-V20 VanDerWaalsContact O-CG2 3.28Å; L16-V20 WeakPolarHBondContact O-CG2 3.47Å; L16-V20 PolarHBondContact O-N 3.2Å |
| 17 | L | 90.3 | Very high | 83.7 | Confident | 111 Ų | 111 | 103.6 Ų | 103.6 | 58% | 0.581 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.4 | -40.6 | 178.8 | -173.7 | 61.9 | 0 | 0 | 0 | 112.1 | L13 L14 V20 T21 | L13-L17 WeakPolarHBondContact O-CB 3.4Å; L13-L17 PolarHBondContact O-N 3.12Å; L14-L17 PolarHBondContact O-N 3.33Å; L17-V20 PolarHBondContact O-N 2.93Å; L17-T21 WeakPolarHBondContact O-CG2 3.34Å; L17-T21 PolarHBondContact O-N 3.48Å; L17-T21 PolarHBondContact O-OG1 3.43Å |
| 18 | A | 86.8 | Confident | 81.8 | Confident | 55 Ų | 55 | 108.9 Ų | 108.9 | 46% | 0.455 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.2 | -44 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L14 A15 V20 T21 L22 | L14-A18 WeakPolarHBondContact O-CB 3.39Å; L14-A18 PolarHBondContact O-N 2.88Å; A15-A18 PolarHBondContact O-N 2.93Å; A18-V20 PolarHBondContact O-N 3.42Å; A18-T21 WeakPolarHBondContact CA-OG1 3.19Å; A18-T21 PolarHBondContact O-N 3.5Å; A18-T21 PolarHBondContact O-OG1 2.86Å; A18-L22 WeakPolarHBondContact O-CB 3.32Å; A18-L22 PolarHBondContact O-N 3.37Å |
| 19 | Q | 87.1 | Confident | 80 | Confident | 125 Ų | 125 | 105.4 Ų | 105.4 | 58% | 0.584 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.1 | -47.2 | 176.2 | -175.4 | -178.5 | -24.6 | 0 | 0 | 111.3 | A15 L16 T21 L22 C23 | A15-Q19 WeakPolarHBondContact O-CB 3.4Å; A15-Q19 PolarHBondContact O-N 2.92Å; L16-Q19 PolarHBondContact O-N 3.33Å; Q19-T21 PolarHBondContact O-N 2.96Å; Q19-L22 PolarHBondContact O-N 3.04Å; Q19-C23 VanDerWaalsContact O-CB 3.28Å; Q19-C23 WeakPolarHBondContact O-CB 3.37Å; Q19-C23 PolarHBondContact O-N 3.47Å; Q19-C23 PolarHBondContact O-SG 3.02Å |
| 20 | V | 82.3 | Confident | 78 | Confident | 69 Ų | 69 | 111.2 Ų | 111.2 | 42% | 0.418 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -61.5 | -43.7 | 179.6 | 168.8 | 0 | 0 | 0 | 0 | 111.5 | L16 L17 A18 C23 Q24 | L16-V20 WeakPolarHBondContact O-CB 3.47Å; L16-V20 VanDerWaalsContact O-CG2 3.28Å; L16-V20 WeakPolarHBondContact O-CG2 3.47Å; L16-V20 PolarHBondContact O-N 3.2Å; L17-V20 PolarHBondContact O-N 2.93Å; A18-V20 PolarHBondContact O-N 3.42Å; V20-C23 PolarHBondContact O-N 2.96Å; V20-Q24 HydrophobicContact CG1-CG 4.48Å; V20-Q24 VanDerWaalsContact O-CB 3.32Å; V20-Q24 WeakPolarHBondContact O-CB 3.41Å; V20-Q24 WeakPolarHBondContact O-CG 3.46Å; V20-Q24 PolarHBondContact O-N 2.93Å |
| 21 | T | 78.6 | Confident | 76.1 | Confident | 75 Ų | 75 | 111.8 Ų | 111.8 | 46% | 0.46 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -69.7 | -37.1 | 178.6 | 51.9 | 0 | 0 | 0 | 0 | 112.7 | L17 A18 Q19 Q24 H25 | L17-T21 WeakPolarHBondContact O-CG2 3.34Å; L17-T21 PolarHBondContact O-N 3.48Å; L17-T21 PolarHBondContact O-OG1 3.43Å; A18-T21 WeakPolarHBondContact CA-OG1 3.19Å; A18-T21 PolarHBondContact O-N 3.5Å; A18-T21 PolarHBondContact O-OG1 2.86Å; Q19-T21 PolarHBondContact O-N 2.96Å; T21-Q24 PolarHBondContact O-N 3.48Å; T21-H25 PolarHBondContact O-N 3.36Å |
| 22 | L | 72.8 | Confident | 73.9 | Confident | 123 Ų | 123 | 114 Ų | 114 | 64% | 0.644 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -69.9 | -38.1 | 175.7 | -139.9 | 73.1 | 0 | 0 | 0 | 111.9 | A18 Q19 H25 W26 | A18-L22 WeakPolarHBondContact O-CB 3.32Å; A18-L22 PolarHBondContact O-N 3.37Å; Q19-L22 PolarHBondContact O-N 3.04Å; L22-H25 WeakPolarHBondContact O-CB 3.28Å; L22-H25 PolarHBondContact O-N 3.31Å; L22-W26 PolarHBondContact O-NE1 3.4Å |
| 23 | C | 68 | Low | 72.3 | Confident | 77 Ų | 77 | 112.3 Ų | 112.3 | 52% | 0.52 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -67.4 | -37.6 | 172.4 | -70 | 0 | 0 | 0 | 0 | 111.8 | Q19 V20 H25 W26 | Q19-C23 VanDerWaalsContact O-CB 3.28Å; Q19-C23 WeakPolarHBondContact O-CB 3.37Å; Q19-C23 PolarHBondContact O-N 3.47Å; Q19-C23 PolarHBondContact O-SG 3.02Å; V20-C23 PolarHBondContact O-N 2.96Å; C23-H25 VanDerWaalsContact C-N 3.27Å; C23-H25 PolarHBondContact O-N 2.9Å; C23-W26 PolarHBondContact O-N 3.34Å |
| 24 | Q | 66.1 | Low | 70.7 | Confident | 140 Ų | 140 | 108.7 Ų | 108.7 | 65% | 0.654 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -70.4 | -21.6 | 174.3 | -75.6 | 178.8 | 34.5 | 0 | 0 | 113.2 | V20 T21 W26 | V20-Q24 HydrophobicContact CG1-CG 4.48Å; V20-Q24 VanDerWaalsContact O-CB 3.32Å; V20-Q24 WeakPolarHBondContact O-CB 3.41Å; V20-Q24 WeakPolarHBondContact O-CG 3.46Å; V20-Q24 PolarHBondContact O-N 2.93Å; T21-Q24 PolarHBondContact O-N 3.48Å; Q24-W26 PolarHBondContact O-N 2.99Å |
| 25 | H | 62.2 | Low | 68.9 | Low | 122 Ų | 122 | 113 Ų | 113 | 57% | 0.565 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | -21.1 | 174.5 | -172.7 | 71 | 0 | 0 | 0 | 112.6 | T21 L22 C23 S27 Y28 | T21-H25 PolarHBondContact O-N 3.36Å; L22-H25 WeakPolarHBondContact O-CB 3.28Å; L22-H25 PolarHBondContact O-N 3.31Å; C23-H25 VanDerWaalsContact C-N 3.27Å; C23-H25 PolarHBondContact O-N 2.9Å; H25-S27 PolarHBondContact O-N 3.45Å; H25-Y28 AromaticContact ND1-CD2 3.99Å |
| 26 | W | 59 | Low | 66.9 | Low | 217 Ų | 217 | 120 Ų | 120 | 82% | 0.822 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | 70.9 | 169 | -59.3 | 91 | 0 | 0 | 0 | 110.1 | L22 C23 Q24 | L22-W26 PolarHBondContact O-NE1 3.4Å; C23-W26 PolarHBondContact O-N 3.34Å; Q24-W26 PolarHBondContact O-N 2.99Å |
| 27 | S | 54.9 | Low | 65.2 | Low | 58 Ų | 58 | 118.8 Ų | 118.8 | 41% | 0.406 | 63% | 0.627 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 171.8 | 51.9 | 138.2 | -166 | 0 | 0 | 0 | 0 | 111.7 | H25 G29 W30 | H25-S27 PolarHBondContact O-N 3.45Å; S27-G29 PolarHBondContact O-N 3.49Å; S27-W30 WeakPolarHBondContact OG-CB 3.05Å; S27-W30 PolarHBondContact OG-N 2.88Å |
| 28 | Y | 53.4 | Low | 63.4 | Low | 194 Ų | 194 | 118 Ų | 118 | 76% | 0.761 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -6.8 | 155.2 | -79.7 | -79.9 | 0 | 0 | 0 | 111.9 | H25 | H25-Y28 AromaticContact ND1-CD2 3.99Š|
| 29 | G | 55.6 | Low | 62 | Low | 56 Ų | 56 | 117.9 Ų | 117.9 | 58% | 0.577 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | -4.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | S27 | S27-G29 PolarHBondContact O-N 3.49Š|
| 30 | W | 54.2 | Low | 60.5 | Low | 209 Ų | 209 | 118.3 Ų | 118.3 | 79% | 0.792 | 63% | 0.633 | S | S | * | * | trans | -121.5 | 43.7 | -179.1 | -46.3 | 58.4 | 0 | 0 | 0 | 112.4 | S27 | S27-W30 WeakPolarHBondContact OG-CB 3.05Å; S27-W30 PolarHBondContact OG-N 2.88Å | ||
| 31 | L | 54.8 | Low | 59.3 | Low | 135 Ų | 135 | 120.5 Ų | 120.5 | 71% | 0.707 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -53.3 | 138.7 | 148.4 | -73.3 | 159.4 | 0 | 0 | 0 | 107.7 | G33 G34 | L31-G33 VanDerWaalsContact C-N 3.32Å; L31-G33 PolarHBondContact O-N 2.85Å; L31-G34 PolarHBondContact O-N 3.36Å |
| 32 | P | 51.1 | Low | 58.3 | Low | 137 Ų | 137 | 121.6 Ų | 121.6 | 89% | 0.89 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | 96.2 | 174.7 | 24.8 | -30.7 | 0 | 0 | 0 | 108.2 | ||
| 33 | G | 62.4 | Low | 57.7 | Low | 74 Ų | 74 | 118 Ų | 118 | 76% | 0.763 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 141.4 | -4.5 | -164.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | L31 K35 | L31-G33 VanDerWaalsContact C-N 3.32Å; L31-G33 PolarHBondContact O-N 2.85Å; G33-K35 PolarHBondContact O-N 3.45Å |
| 34 | G | 62.3 | Low | 57.1 | Low | 45 Ų | 45 | 117.7 Ų | 117.7 | 46% | 0.464 | 63% | 0.625 | S | S | . | * | S | Bend | trans | -57.4 | 99.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | L31 R36 | L31-G34 PolarHBondContact O-N 3.36Å; G34-R36 VanDerWaalsContact C-N 3.3Å; G34-R36 PolarHBondContact O-N 2.97Å |
| 35 | K | 57.5 | Low | 56.7 | Low | 209 Ų | 209 | 116.3 Ų | 116.3 | 91% | 0.909 | 62% | 0.621 | S | S | * | * | trans | 6.9 | 70.9 | 172.8 | -76.1 | -177.2 | 170.6 | -179.8 | 0 | 114.4 | G33 | G33-K35 PolarHBondContact O-N 3.45Š| ||
| 36 | R | 53.5 | Low | 56.6 | Low | 202 Ų | 202 | 119.8 Ų | 119.8 | 76% | 0.762 | 63% | 0.629 | S | S | * | * | trans | -79.8 | 121.3 | 144.2 | -72.7 | -167.3 | 177.9 | 93.6 | 2.3 | 104.1 | G34 V38 | G34-R36 VanDerWaalsContact C-N 3.3Å; G34-R36 PolarHBondContact O-N 2.97Å; R36-V38 HydrophobicContact CB-CG2 3.4Å; R36-V38 VanDerWaalsContact CB-CG2 3.4Å; R36-V38 PolarHBondContact O-N 3.43Å | ||
| 37 | S | 56.4 | Low | 56.3 | Low | 61 Ų | 61 | 117.3 Ų | 117.3 | 43% | 0.427 | 63% | 0.629 | S | S | . | * | trans | -65.2 | 61.7 | 159.6 | -155.7 | 0 | 0 | 0 | 0 | 108.8 | G39 E40 L41 | S37-G39 PolarHBondContact O-N 2.84Å; S37-E40 VanDerWaalsContact CB-OE2 3.29Å; S37-E40 WeakPolarHBondContact CB-OE2 3.25Å; S37-E40 PolarHBondContact O-N 3.46Å; S37-E40 VanDerWaalsContact O-N 3.11Å; S37-E40 WeakPolarHBondContact OG-CB 3.29Å; S37-E40 VanDerWaalsContact OG-CG 3.26Å; S37-E40 WeakPolarHBondContact OG-CG 3.18Å; S37-E40 PolarHBondContact OG-N 3.19Å; S37-E40 PolarHBondContact OG-OE2 2.89Å; S37-L41 PolarHBondContact O-N 2.73Å | ||
| 38 | V | 53.3 | Low | 56.2 | Low | 94 Ų | 94 | 120.7 Ų | 120.7 | 57% | 0.57 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -62.7 | -22.4 | 171.1 | -173.6 | 0 | 0 | 0 | 0 | 108.8 | R36 E42 | R36-V38 HydrophobicContact CB-CG2 3.4Å; R36-V38 VanDerWaalsContact CB-CG2 3.4Å; R36-V38 PolarHBondContact O-N 3.43Å; V38-E42 VanDerWaalsContact O-CB 3.27Å; V38-E42 WeakPolarHBondContact O-CB 3.36Å; V38-E42 PolarHBondContact O-N 3.4Å |
| 39 | G | 56.5 | Low | 56.4 | Low | 54 Ų | 54 | 115.1 Ų | 115.1 | 56% | 0.557 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -71 | -38.4 | 169 | 0 | 0 | 0 | 0 | 0 | 114.7 | S37 A43 | S37-G39 PolarHBondContact O-N 2.84Å; G39-A43 WeakPolarHBondContact O-CB 3.41Å; G39-A43 PolarHBondContact O-N 3.49Å |
| 40 | E | 55.1 | Low | 56.5 | Low | 133 Ų | 133 | 118.8 Ų | 118.8 | 62% | 0.621 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -76.3 | -36.1 | 177.8 | -84.4 | 173.5 | 121.4 | 0 | 0 | 112.6 | S37 T44 | S37-E40 VanDerWaalsContact CB-OE2 3.29Å; S37-E40 WeakPolarHBondContact CB-OE2 3.25Å; S37-E40 PolarHBondContact O-N 3.46Å; S37-E40 VanDerWaalsContact O-N 3.11Å; S37-E40 WeakPolarHBondContact OG-CB 3.29Å; S37-E40 VanDerWaalsContact OG-CG 3.26Å; S37-E40 WeakPolarHBondContact OG-CG 3.18Å; S37-E40 PolarHBondContact OG-N 3.19Å; S37-E40 PolarHBondContact OG-OE2 2.89Å; E40-T44 WeakPolarHBondContact O-CB 3.26Å; E40-T44 PolarHBondContact O-N 2.84Å; E40-T44 PolarHBondContact O-OG1 2.66Å |
| 41 | L | 58.4 | Low | 56.7 | Low | 115 Ų | 115 | 112.9 Ų | 112.9 | 60% | 0.602 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -70.9 | -40.1 | 177.9 | -175.2 | 60 | 0 | 0 | 0 | 111.2 | S37 T44 I45 | S37-L41 PolarHBondContact O-N 2.73Å; L41-T44 PolarHBondContact O-N 3.28Å; L41-I45 HydrophobicContact CD1-CD1 4.13Å; L41-I45 HydrophobicContact CD1-CG1 4.35Å; L41-I45 HydrophobicContact CG-CD1 3.9Å; L41-I45 WeakPolarHBondContact O-CB 3.13Å; L41-I45 WeakPolarHBondContact O-CD1 3.35Å; L41-I45 WeakPolarHBondContact O-CG1 3.2Å; L41-I45 PolarHBondContact O-N 2.59Å |
| 42 | E | 57.8 | Low | 56.2 | Low | 99 Ų | 99 | 109.9 Ų | 109.9 | 46% | 0.463 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -66.1 | -41.5 | 173.8 | -165.4 | -161.6 | 157.3 | 0 | 0 | 111.8 | V38 I45 R46 | V38-E42 VanDerWaalsContact O-CB 3.27Å; V38-E42 WeakPolarHBondContact O-CB 3.36Å; V38-E42 PolarHBondContact O-N 3.4Å; E42-I45 PolarHBondContact O-N 2.8Å; E42-R46 WeakPolarHBondContact O-CB 3.24Å; E42-R46 WeakPolarHBondContact O-CG 3.14Å; E42-R46 PolarHBondContact O-N 2.86Å; E42-R46 IonicContact OE1-CZ 3.43Å; E42-R46 IonicContact OE1-NE 3.81Å; E42-R46 PolarHBondContact OE1-NE 2.82Å; E42-R46 IonicContact OE1-NH2 2.86Å; E42-R46 PolarHBondContact OE1-NH2 3.42Å |
| 43 | A | 58.8 | Low | 56.4 | Low | 46 Ų | 46 | 109.8 Ų | 109.8 | 38% | 0.38 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -66.6 | -37 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | G39 R46 M47 | G39-A43 WeakPolarHBondContact O-CB 3.41Å; G39-A43 PolarHBondContact O-N 3.49Å; A43-R46 PolarHBondContact O-N 2.92Å; A43-M47 VanDerWaalsContact O-CB 3.25Å; A43-M47 WeakPolarHBondContact O-CB 3.48Å; A43-M47 VanDerWaalsContact O-CG 3.24Å; A43-M47 WeakPolarHBondContact O-CG 3.44Å; A43-M47 PolarHBondContact O-N 2.97Å |
| 44 | T | 56.7 | Low | 55.4 | Low | 71 Ų | 71 | 113.2 Ų | 113.2 | 44% | 0.436 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -68 | -39.6 | 175.1 | -57.7 | 0 | 0 | 0 | 0 | 111.2 | E40 L41 M47 M48 | E40-T44 WeakPolarHBondContact O-CB 3.26Å; E40-T44 PolarHBondContact O-N 2.84Å; E40-T44 PolarHBondContact O-OG1 2.66Å; L41-T44 PolarHBondContact O-N 3.28Å; T44-M47 PolarHBondContact O-N 2.72Å; T44-M48 HydrophobicContact CG2-SD 4.22Å; T44-M48 WeakPolarHBondContact O-CG 3.27Å; T44-M48 PolarHBondContact O-N 2.79Å |
| 45 | I | 57.6 | Low | 54.5 | Low | 112 Ų | 112 | 115.8 Ų | 115.8 | 57% | 0.574 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -66.2 | -39.8 | 175.1 | -68.7 | 163.9 | 0 | 0 | 0 | 111.2 | L41 E42 M47 | L41-I45 HydrophobicContact CD1-CD1 4.13Å; L41-I45 HydrophobicContact CD1-CG1 4.35Å; L41-I45 HydrophobicContact CG-CD1 3.9Å; L41-I45 WeakPolarHBondContact O-CB 3.13Å; L41-I45 WeakPolarHBondContact O-CD1 3.35Å; L41-I45 WeakPolarHBondContact O-CG1 3.2Å; L41-I45 PolarHBondContact O-N 2.59Å; E42-I45 PolarHBondContact O-N 2.8Å; I45-M47 VanDerWaalsContact C-N 3.35Å |
| 46 | R | 59.5 | Low | 54.4 | Low | 195 Ų | 195 | 113.4 Ų | 113.4 | 74% | 0.736 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -71.8 | -25.8 | 174.6 | -73.3 | 179.3 | 178.5 | -101.2 | 3.1 | 113.4 | E42 A43 | E42-R46 WeakPolarHBondContact O-CB 3.24Å; E42-R46 WeakPolarHBondContact O-CG 3.14Å; E42-R46 PolarHBondContact O-N 2.86Å; E42-R46 IonicContact OE1-CZ 3.43Å; E42-R46 IonicContact OE1-NE 3.81Å; E42-R46 PolarHBondContact OE1-NE 2.82Å; E42-R46 IonicContact OE1-NH2 2.86Å; E42-R46 PolarHBondContact OE1-NH2 3.42Å; A43-R46 PolarHBondContact O-N 2.92Å |
| 47 | M | 53.1 | Low | 53.9 | Low | 164 Ų | 164 | 109 Ų | 109 | 81% | 0.808 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -87.5 | -21.1 | 177.8 | -77.5 | -175.9 | 61.8 | 0 | 0 | 114.1 | A43 T44 I45 G49 | A43-M47 VanDerWaalsContact O-CB 3.25Å; A43-M47 WeakPolarHBondContact O-CB 3.48Å; A43-M47 VanDerWaalsContact O-CG 3.24Å; A43-M47 WeakPolarHBondContact O-CG 3.44Å; A43-M47 PolarHBondContact O-N 2.97Å; T44-M47 PolarHBondContact O-N 2.72Å; I45-M47 VanDerWaalsContact C-N 3.35Å; M47-G49 VanDerWaalsContact C-N 3.3Å; M47-G49 PolarHBondContact O-N 3.11Å |
| 48 | M | 52.5 | Low | 53.1 | Low | 130 Ų | 130 | 113.5 Ų | 113.5 | 64% | 0.64 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -78.7 | 82.8 | 166.9 | -68.3 | 176.9 | 99.5 | 0 | 0 | 108.3 | T44 T50 | T44-M48 HydrophobicContact CG2-SD 4.22Å; T44-M48 WeakPolarHBondContact O-CG 3.27Å; T44-M48 PolarHBondContact O-N 2.79Å; M48-T50 VanDerWaalsContact C-N 3.31Å; M48-T50 PolarHBondContact O-N 3.2Å |
| 49 | G | 58.3 | Low | 52.6 | Low | 77 Ų | 77 | 117 Ų | 117 | 79% | 0.794 | 69% | 0.69 | S | S | * | * | trans | -61 | 79.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | M47 | M47-G49 VanDerWaalsContact C-N 3.3Å; M47-G49 PolarHBondContact O-N 3.11Å | ||
| 50 | T | 57.5 | Low | 51.5 | Low | 133 Ų | 133 | 119 Ų | 119 | 82% | 0.816 | 70% | 0.701 | S | S | * | * | trans | -108.7 | 90.7 | 163.1 | 53 | 0 | 0 | 0 | 0 | 108.4 | M48 | M48-T50 VanDerWaalsContact C-N 3.31Å; M48-T50 PolarHBondContact O-N 3.2Å | ||
| 51 | G | 57.3 | Low | 50.9 | Low | 85 Ų | 85 | 117.8 Ų | 117.8 | 88% | 0.876 | 71% | 0.707 | S | S | * | * | trans | -63.1 | 147.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 52 | G | 45.6 | Very low | 50.2 | Low | 71 Ų | 71 | 116.8 Ų | 116.8 | 73% | 0.732 | 72% | 0.716 | S | S | * | * | trans | 167.4 | 77.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 53 | V | 54.1 | Low | 49.3 | Very low | 136 Ų | 136 | 120.9 Ų | 120.9 | 82% | 0.824 | 74% | 0.735 | S | S | * | * | trans | 19.7 | 109.8 | 146.9 | -178.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 54 | V | 42.2 | Very low | 48.3 | Very low | 146 Ų | 146 | 124 Ų | 124 | 89% | 0.885 | 75% | 0.749 | S | S | * | * | trans | -142.6 | 129.1 | 141.7 | -175.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 55 | S | 42 | Very low | 47.7 | Very low | 98 Ų | 98 | 130 Ų | 130 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | trans | -67.3 | 146.7 | -161 | -40.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 56 | L | 56.6 | Low | 46.8 | Very low | 160 Ų | 160 | 131.8 Ų | 131.8 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | trans | -59.2 | 138.8 | 153.1 | -173.1 | 70.1 | 0 | 0 | 0 | 109.7 | ||||
| 57 | P | 43.5 | Very low | 46.7 | Very low | 110 Ų | 110 | 133 Ų | 133 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | -130.7 | 127.2 | 122.8 | 26.1 | -10.1 | 0 | 0 | 0 | 110 | |||||
| 58 | E | 39.1 | Very low | 46.2 | Very low | 155 Ų | 155 | 131.4 Ų | 131.4 | 72% | 0.724 | 78% | 0.777 | S | S | * | * | 68.7 | 100.2 | 92.5 | -164.8 | 86.8 | 160.4 | 0 | 0 | 111.9 | |||||
| 59 | E | 42.7 | Very low | 46 | Very low | 167 Ų | 167 | 134.7 Ų | 134.7 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | trans | 48 | 106.1 | 148.2 | -61.6 | -65.4 | 114.8 | 0 | 0 | 120.2 | ||||
| 60 | A | 33.2 | Very low | 45.5 | Very low | 96 Ų | 96 | 136.6 Ų | 136.6 | 79% | 0.793 | 78% | 0.78 | S | S | * | * | trans | -148.5 | 80.4 | 143.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 61 | S | 42 | Very low | 44.9 | Very low | 108 Ų | 108 | 138.6 Ų | 138.6 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | 32.6 | 127.6 | 139.5 | 54.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 62 | A | 44.9 | Very low | 44.6 | Very low | 94 Ų | 94 | 141.7 Ų | 141.7 | 78% | 0.777 | 78% | 0.777 | S | S | * | * | trans | 79 | 88.8 | 146.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 63 | Q | 39 | Very low | 45 | Very low | 184 Ų | 184 | 145.3 Ų | 145.3 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | -160.9 | 103.2 | 117.5 | -126.2 | 167.6 | -4.6 | 0 | 0 | 112.5 | |||||
| 64 | T | 36.4 | Very low | 44.6 | Very low | 111 Ų | 111 | 145.5 Ų | 145.5 | 68% | 0.681 | 77% | 0.774 | S | S | * | * | trans | 57.4 | 80.1 | 135.6 | -43.5 | 0 | 0 | 0 | 0 | 116.5 | E66 | T64-E66 HydrophobicContact CG2-CB 3.99Å; T64-E66 PolarHBondContact O-N 3.03Å | ||
| 65 | Q | 44.9 | Very low | 45.1 | Very low | 198 Ų | 198 | 145.6 Ų | 145.6 | 93% | 0.925 | 77% | 0.77 | S | S | * | * | trans | -55.1 | 87.4 | 140.7 | -175.7 | -171.2 | 19 | 0 | 0 | 109.6 | ||||
| 66 | E | 38.8 | Very low | 45.3 | Very low | 150 Ų | 150 | 143.8 Ų | 143.8 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | trans | -116.1 | 95.7 | 156.6 | -153.9 | -169.7 | 160.7 | 0 | 0 | 110.5 | T64 L68 | T64-E66 HydrophobicContact CG2-CB 3.99Å; T64-E66 PolarHBondContact O-N 3.03Å; E66-L68 HydrophobicContact CG-CD1 4.32Å; E66-L68 PolarHBondContact O-N 2.93Å; E66-L68 VanDerWaalsContact OE1-CD1 3.23Å; E66-L68 WeakPolarHBondContact OE1-CD1 3.23Å | ||
| 67 | R | 57.3 | Low | 45.2 | Very low | 221 Ų | 221 | 141.8 Ų | 141.8 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | trans | -53.5 | 109.5 | 163.4 | 173.2 | -170.3 | -170.6 | 163.3 | 3 | 110.7 | ||||
| 68 | L | 42.2 | Very low | 45.5 | Very low | 129 Ų | 129 | 141.3 Ų | 141.3 | 68% | 0.675 | 77% | 0.765 | S | S | * | * | trans | -151.5 | 96.9 | 157.5 | -104.5 | 123.2 | 0 | 0 | 0 | 114.7 | E66 | E66-L68 HydrophobicContact CG-CD1 4.32Å; E66-L68 PolarHBondContact O-N 2.93Å; E66-L68 VanDerWaalsContact OE1-CD1 3.23Å; E66-L68 WeakPolarHBondContact OE1-CD1 3.23Å | ||
| 69 | R | 47.5 | Very low | 46.1 | Very low | 199 Ų | 199 | 140.7 Ų | 140.7 | 75% | 0.751 | 76% | 0.762 | S | S | * | * | trans | 55.7 | 135 | 146.1 | -66.9 | -73.6 | 159.8 | -179.6 | -2.7 | 120.8 | H71 | R69-H71 PolarHBondContact O-N 3.29Å; R69-H71 PolarHBondContact O-ND1 2.91Å | ||
| 70 | P | 49.1 | Very low | 46.3 | Very low | 117 Ų | 117 | 142.9 Ų | 142.9 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | trans | -63.6 | 120.2 | 166.7 | 14.5 | -9.6 | 0 | 0 | 0 | 109.3 | N72 | P70-N72 PolarHBondContact O-N 3.12Š| ||
| 71 | H | 43.5 | Very low | 47.1 | Very low | 175 Ų | 175 | 143.8 Ų | 143.8 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | trans | -69.8 | 110.1 | 169.5 | -81.7 | 53.7 | 0 | 0 | 0 | 107.9 | R69 I73 | R69-H71 PolarHBondContact O-N 3.29Å; R69-H71 PolarHBondContact O-ND1 2.91Å; H71-I73 PolarHBondContact O-N 3.19Å; H71-I73 VanDerWaalsContact O-N 3.12Å | ||
| 72 | N | 51.7 | Low | 47.8 | Very low | 151 Ų | 151 | 149.6 Ų | 149.6 | 81% | 0.807 | 77% | 0.766 | S | S | * | * | trans | -61.7 | 109.3 | 170.4 | -162.1 | -22.6 | 0 | 0 | 0 | 107 | P70 N74 | P70-N72 PolarHBondContact O-N 3.12Å; N72-N74 PolarHBondContact O-N 3.43Å | ||
| 73 | I | 53.8 | Low | 47.8 | Very low | 147 Ų | 147 | 150.7 Ų | 150.7 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | trans | -70 | 89 | 171.3 | -58.5 | 174.8 | 0 | 0 | 0 | 105 | H71 D75 | H71-I73 PolarHBondContact O-N 3.19Å; H71-I73 VanDerWaalsContact O-N 3.12Å; I73-D75 PolarHBondContact O-N 2.89Å | ||
| 74 | N | 46.9 | Very low | 48.7 | Very low | 140 Ų | 140 | 151.3 Ų | 151.3 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | trans | -59.1 | 104.7 | 168.2 | -179.4 | 36.9 | 0 | 0 | 0 | 106.6 | N72 G76 | N72-N74 PolarHBondContact O-N 3.43Å; N74-G76 PolarHBondContact O-N 2.92Å | ||
| 75 | D | 52.7 | Low | 49.4 | Very low | 148 Ų | 148 | 155.8 Ų | 155.8 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | trans | -58.8 | 79.3 | 168.2 | -99.5 | -31.4 | 0 | 0 | 0 | 108.8 | I73 S77 | I73-D75 PolarHBondContact O-N 2.89Å; D75-S77 PolarHBondContact O-N 3.38Å | ||
| 76 | G | 45.9 | Very low | 49.9 | Very low | 60 Ų | 60 | 155.4 Ų | 155.4 | 62% | 0.619 | 76% | 0.759 | S | S | * | * | trans | -74.4 | 64.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | N74 S78 | N74-G76 PolarHBondContact O-N 2.92Å; G76-S78 PolarHBondContact O-N 3.21Å | ||
| 77 | S | 53.9 | Low | 50.4 | Low | 118 Ų | 118 | 157 Ų | 157 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | trans | -63.4 | 79.9 | 160.2 | 174.8 | 0 | 0 | 0 | 0 | 108.1 | D75 | D75-S77 PolarHBondContact O-N 3.38Š| ||
| 78 | S | 49.5 | Very low | 50 | Low | 99 Ų | 99 | 153.8 Ų | 153.8 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | trans | -108.5 | 84.2 | 164.9 | 66.6 | 0 | 0 | 0 | 0 | 108.8 | G76 F80 | G76-S78 PolarHBondContact O-N 3.21Å; S78-F80 PolarHBondContact O-N 3.05Å | ||
| 79 | H | 51.2 | Low | 50.1 | Low | 142 Ų | 142 | 160.7 Ų | 160.7 | 66% | 0.657 | 80% | 0.795 | S | S | * | * | 61.9 | 63.5 | 120.5 | -157.2 | -86.6 | 0 | 0 | 0 | 115.4 | D81 | H79-D81 IonicContact CE1-OD2 3.39Å; H79-D81 PolarHBondContact CE1-OD2 3.19Å; H79-D81 IonicContact ND1-OD2 3.04Å; H79-D81 IonicContact NE2-OD2 3.66Å; H79-D81 PolarHBondContact NE2-OD2 3.49Å; H79-D81 PolarHBondContact O-N 2.76Å | |||
| 80 | F | 48.7 | Very low | 50.3 | Low | 213 Ų | 213 | 158.8 Ų | 158.8 | 93% | 0.934 | 80% | 0.797 | S | S | * | * | trans | -75.7 | 84.9 | 152.1 | -98.5 | -83.1 | 0 | 0 | 0 | 108.1 | S78 R82 | S78-F80 PolarHBondContact O-N 3.05Å; F80-R82 PolarHBondContact O-N 3.39Å | ||
| 81 | D | 50.1 | Low | 50.3 | Low | 115 Ų | 115 | 160.9 Ų | 160.9 | 62% | 0.615 | 80% | 0.799 | S | S | * | * | trans | -61.7 | 121.7 | 176.8 | -141.5 | -26 | 0 | 0 | 0 | 109.6 | H79 N83 | H79-D81 IonicContact CE1-OD2 3.39Å; H79-D81 PolarHBondContact CE1-OD2 3.19Å; H79-D81 IonicContact ND1-OD2 3.04Å; H79-D81 IonicContact NE2-OD2 3.66Å; H79-D81 PolarHBondContact NE2-OD2 3.49Å; H79-D81 PolarHBondContact O-N 2.76Å; D81-N83 PolarHBondContact O-N 3.04Å; D81-N83 VanDerWaalsContact O-N 3.12Å | ||
| 82 | R | 54.9 | Low | 50.7 | Low | 231 Ų | 231 | 160.2 Ų | 160.2 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | trans | -76.7 | 94.4 | -178 | 174.8 | -174.8 | 171 | -169.9 | -1.6 | 107.3 | F80 | F80-R82 PolarHBondContact O-N 3.39Š| ||
| 83 | N | 45.3 | Very low | 50.7 | Low | 116 Ų | 116 | 160.7 Ų | 160.7 | 62% | 0.62 | 80% | 0.798 | S | S | * | * | trans | -130.7 | 64.8 | 166.3 | -134.8 | 9.2 | 0 | 0 | 0 | 112.4 | D81 R85 | D81-N83 PolarHBondContact O-N 3.04Å; D81-N83 VanDerWaalsContact O-N 3.12Å; N83-R85 PolarHBondContact OD1-NE 3.3Å | ||
| 84 | K | 58.2 | Low | 50.5 | Low | 198 Ų | 198 | 161.6 Ų | 161.6 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | trans | -95.6 | 75.5 | 146 | -71.6 | -175 | -178.3 | 174.9 | 0 | 107.6 | ||||
| 85 | R | 52.2 | Low | 50.7 | Low | 204 Ų | 204 | 163 Ų | 163 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | trans | -98.5 | 104.1 | 162.1 | -83.9 | -173.1 | -78.7 | -153.2 | -2.1 | 107.8 | N83 | N83-R85 PolarHBondContact OD1-NE 3.3Š| ||
| 86 | F | 54.6 | Low | 50.6 | Low | 191 Ų | 191 | 164.1 Ų | 164.1 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | trans | -6.2 | 119.7 | 163.9 | -58.3 | -86.5 | 0 | 0 | 0 | 116.1 | N88 | F86-N88 PolarHBondContact O-N 2.97Š| ||
| 87 | L | 49.9 | Very low | 50.9 | Low | 183 Ų | 183 | 172.1 Ų | 172.1 | 96% | 0.958 | 82% | 0.819 | S | S | * | * | trans | -56.4 | 114.1 | 151.2 | -171.7 | 79.3 | 0 | 0 | 0 | 108.1 | ||||
| 88 | N | 48.2 | Very low | 50.7 | Low | 154 Ų | 154 | 176.6 Ų | 176.6 | 82% | 0.824 | 82% | 0.819 | S | S | * | * | trans | -151.3 | 125.8 | 156.3 | -143.7 | -31.6 | 0 | 0 | 0 | 111.1 | F86 | F86-N88 PolarHBondContact O-N 2.97Š| ||
| 89 | K | 45.4 | Very low | 50.8 | Low | 273 Ų | 273 | 183.6 Ų | 183.6 | 100% | 1.187 | 83% | 0.831 | S | S | * | * | trans | 85.8 | 0 | 175.8 | -144.6 | 169.4 | -173.2 | 176.9 | 0 | 118.1 |
Retrieved 89 of 89 residues in 54.5 ms
(Link to these results)