| 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 | 39.1 | Very low | 45.7 | Very low | 247 Ų | 247 | 147.2 Ų | 147.2 | 100% | 1.217 | 81% | 0.805 | S | S | * | * | 0 | 134.5 | 0 | -69.2 | 149.5 | 81.2 | 0 | 0 | 108.3 | |||||
| 2 | W | 37.6 | Very low | 46.2 | Very low | 271 Ų | 271 | 140.6 Ų | 140.6 | 100% | 1.027 | 78% | 0.777 | S | S | * | * | trans | -76.6 | 141.2 | -170.3 | -130.2 | -13.7 | 0 | 0 | 0 | 111.6 | ||||
| 3 | G | 43.3 | Very low | 46.9 | Very low | 75 Ų | 75 | 144 Ų | 144 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | -85.3 | 132.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 4 | G | 41.7 | Very low | 47.9 | Very low | 78 Ų | 78 | 140.9 Ų | 140.9 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | -107.3 | 99.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 5 | R | 49.4 | Very low | 48.9 | Very low | 243 Ų | 243 | 135.5 Ų | 135.5 | 92% | 0.917 | 74% | 0.737 | S | S | * | * | trans | -117.4 | 81.7 | 164.7 | -65.4 | -169.8 | -150.1 | -108.3 | 3.5 | 110.3 | ||||
| 6 | R | 53.1 | Low | 50.1 | Low | 244 Ų | 244 | 130.2 Ų | 130.2 | 92% | 0.921 | 72% | 0.717 | S | S | * | * | trans | -101.4 | 87.7 | 170.9 | -66.6 | -174.2 | -175.9 | -161.6 | 3.5 | 109.9 | ||||
| 7 | S | 52.2 | Low | 51.6 | Low | 98 Ų | 98 | 125.9 Ų | 125.9 | 69% | 0.685 | 70% | 0.699 | S | S | * | * | trans | -147.3 | -48.3 | 173.7 | -49.6 | 0 | 0 | 0 | 0 | 115.9 | V9 A10 | S7-V9 VanDerWaalsContact C-N 3.3Å; S7-V9 PolarHBondContact O-N 2.95Å; S7-V9 VanDerWaalsContact O-N 3.16Å; S7-A10 PolarHBondContact O-N 3.02Å | ||
| 8 | S | 47.7 | Very low | 53 | Low | 110 Ų | 110 | 125.2 Ų | 125.2 | 77% | 0.769 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -70.3 | -16 | -167.9 | -55.1 | 0 | 0 | 0 | 0 | 116.4 | ||
| 9 | V | 46.8 | Very low | 54.4 | Low | 110 Ų | 110 | 124.8 Ų | 124.8 | 67% | 0.667 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -74.4 | -25 | -179.6 | 179 | 0 | 0 | 0 | 0 | 112.4 | S7 R13 | S7-V9 VanDerWaalsContact C-N 3.3Å; S7-V9 PolarHBondContact O-N 2.95Å; S7-V9 VanDerWaalsContact O-N 3.16Å; V9-R13 WeakPolarHBondContact O-CG 3.47Å |
| 10 | A | 43.8 | Very low | 55.7 | Low | 56 Ų | 56 | 125.5 Ų | 125.5 | 46% | 0.463 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -70.8 | -48.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S7 S12 R13 N14 | S7-A10 PolarHBondContact O-N 3.02Å; A10-S12 PolarHBondContact O-N 2.75Å; A10-R13 PolarHBondContact O-N 2.71Å; A10-R13 VanDerWaalsContact O-N 3.16Å; A10-N14 VanDerWaalsContact O-CG 3.28Å; A10-N14 PolarHBondContact O-N 2.78Å; A10-N14 VanDerWaalsContact O-N 3.09Å; A10-N14 PolarHBondContact O-OD1 2.69Å |
| 11 | S | 48.1 | Very low | 57 | Low | 87 Ų | 87 | 124.9 Ų | 124.9 | 61% | 0.608 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -61.6 | -40.6 | -172 | -168.1 | 0 | 0 | 0 | 0 | 113.5 | R13 N14 A15 | S11-R13 PolarHBondContact O-N 3.16Å; S11-N14 PolarHBondContact O-N 2.8Å; S11-A15 PolarHBondContact O-N 3.24Å; S11-A15 VanDerWaalsContact O-N 3.11Å |
| 12 | S | 51.9 | Low | 59 | Low | 68 Ų | 68 | 118.1 Ų | 118.1 | 48% | 0.476 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -72 | -27.1 | 179.1 | -173.7 | 0 | 0 | 0 | 0 | 113.8 | A10 A16 | A10-S12 PolarHBondContact O-N 2.75Å; S12-A16 PolarHBondContact O-N 3.09Å |
| 13 | R | 55.6 | Low | 61.1 | Low | 185 Ų | 185 | 110.1 Ų | 110.1 | 70% | 0.698 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -74.6 | -38.9 | 174.8 | -67.7 | 175.8 | 77.2 | 174.5 | 4.4 | 110.3 | V9 A10 S11 A16 S17 | V9-R13 WeakPolarHBondContact O-CG 3.47Å; A10-R13 PolarHBondContact O-N 2.71Å; A10-R13 VanDerWaalsContact O-N 3.16Å; S11-R13 PolarHBondContact O-N 3.16Å; R13-A16 PolarHBondContact O-N 3.38Å; R13-S17 WeakPolarHBondContact O-CB 3.29Å; R13-S17 PolarHBondContact O-N 2.85Å |
| 14 | N | 60.3 | Low | 62.8 | Low | 100 Ų | 100 | 109.2 Ų | 109.2 | 54% | 0.535 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -63.7 | -43.2 | 176.7 | -63.4 | -0.9 | 0 | 0 | 0 | 111.8 | A10 S11 S17 L18 | A10-N14 VanDerWaalsContact O-CG 3.28Å; A10-N14 PolarHBondContact O-N 2.78Å; A10-N14 VanDerWaalsContact O-N 3.09Å; A10-N14 PolarHBondContact O-OD1 2.69Å; S11-N14 PolarHBondContact O-N 2.8Å; N14-S17 PolarHBondContact O-N 2.82Å; N14-L18 VanDerWaalsContact O-CB 3.24Å; N14-L18 WeakPolarHBondContact O-CB 3.21Å; N14-L18 VanDerWaalsContact O-CG 3.3Å; N14-L18 WeakPolarHBondContact O-CG 3.39Å; N14-L18 PolarHBondContact O-N 3.11Å |
| 15 | A | 62.9 | Low | 64.3 | Low | 60 Ų | 60 | 108.2 Ų | 108.2 | 50% | 0.496 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65.3 | -43 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | S11 L18 L19 | S11-A15 PolarHBondContact O-N 3.24Å; S11-A15 VanDerWaalsContact O-N 3.11Å; A15-L18 PolarHBondContact O-N 3.38Å; A15-L19 WeakPolarHBondContact O-CB 3.38Å; A15-L19 PolarHBondContact O-N 2.89Å |
| 16 | A | 68.1 | Low | 65.4 | Low | 51 Ų | 51 | 102 Ų | 102 | 42% | 0.421 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.3 | -42.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S12 R13 L19 Q20 | S12-A16 PolarHBondContact O-N 3.09Å; R13-A16 PolarHBondContact O-N 3.38Å; A16-L19 PolarHBondContact O-N 3.48Å; A16-Q20 WeakPolarHBondContact O-CG 3.35Å; A16-Q20 PolarHBondContact O-N 2.97Å |
| 17 | S | 75.4 | Confident | 66.2 | Low | 58 Ų | 58 | 96.1 Ų | 96.1 | 41% | 0.406 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67.6 | -35.9 | 177.2 | -167.7 | 0 | 0 | 0 | 0 | 112.4 | R13 N14 Q20 L21 | R13-S17 WeakPolarHBondContact O-CB 3.29Å; R13-S17 PolarHBondContact O-N 2.85Å; N14-S17 PolarHBondContact O-N 2.82Å; S17-Q20 PolarHBondContact O-N 3.16Å; S17-L21 WeakPolarHBondContact O-CB 3.01Å; S17-L21 PolarHBondContact O-N 3.33Å |
| 18 | L | 76.9 | Confident | 66.6 | Low | 112 Ų | 112 | 93.1 Ų | 93.1 | 59% | 0.586 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.1 | -45.8 | 171.7 | -84.4 | 164.6 | 0 | 0 | 0 | 111 | N14 A15 Q20 L21 L22 | N14-L18 VanDerWaalsContact O-CB 3.24Å; N14-L18 WeakPolarHBondContact O-CB 3.21Å; N14-L18 VanDerWaalsContact O-CG 3.3Å; N14-L18 WeakPolarHBondContact O-CG 3.39Å; N14-L18 PolarHBondContact O-N 3.11Å; A15-L18 PolarHBondContact O-N 3.38Å; L18-Q20 VanDerWaalsContact C-N 3.34Å; L18-Q20 PolarHBondContact O-N 3.47Å; L18-L21 WeakPolarHBondContact O-CB 3.3Å; L18-L21 PolarHBondContact O-N 2.95Å; L18-L22 WeakPolarHBondContact O-CB 3.48Å; L18-L22 PolarHBondContact O-N 3.44Å |
| 19 | L | 80.4 | Confident | 67.2 | Low | 118 Ų | 118 | 90.8 Ų | 90.8 | 62% | 0.618 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.1 | -41.3 | 176.5 | -176.8 | 63.9 | 0 | 0 | 0 | 111.6 | A15 A16 L22 L23 | A15-L19 WeakPolarHBondContact O-CB 3.38Å; A15-L19 PolarHBondContact O-N 2.89Å; A16-L19 PolarHBondContact O-N 3.48Å; L19-L22 PolarHBondContact O-N 3.46Å; L19-L23 WeakPolarHBondContact O-CB 3.24Å; L19-L23 PolarHBondContact O-N 3.48Å |
| 20 | Q | 80.8 | Confident | 67.7 | Low | 138 Ų | 138 | 87.9 Ų | 87.9 | 65% | 0.645 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.4 | -40.5 | 174 | -73 | 177.2 | -63.4 | 0 | 0 | 112.3 | A16 S17 L18 A24 | A16-Q20 WeakPolarHBondContact O-CG 3.35Å; A16-Q20 PolarHBondContact O-N 2.97Å; S17-Q20 PolarHBondContact O-N 3.16Å; L18-Q20 VanDerWaalsContact C-N 3.34Å; L18-Q20 PolarHBondContact O-N 3.47Å; Q20-A24 WeakPolarHBondContact O-CB 3.21Å; Q20-A24 PolarHBondContact O-N 3.32Å |
| 21 | L | 81.6 | Confident | 68.3 | Low | 113 Ų | 113 | 89.2 Ų | 89.2 | 59% | 0.592 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.1 | -40.6 | 172.9 | -92.7 | 155.4 | 0 | 0 | 0 | 112.1 | S17 L18 A24 A25 | S17-L21 WeakPolarHBondContact O-CB 3.01Å; S17-L21 PolarHBondContact O-N 3.33Å; L18-L21 WeakPolarHBondContact O-CB 3.3Å; L18-L21 PolarHBondContact O-N 2.95Å; L21-A24 PolarHBondContact O-N 3.23Å; L21-A25 WeakPolarHBondContact O-CB 3.46Å; L21-A25 PolarHBondContact O-N 2.81Å |
| 22 | L | 81.4 | Confident | 68.5 | Low | 105 Ų | 105 | 94.6 Ų | 94.6 | 55% | 0.55 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69 | -41.9 | 178.5 | -131.4 | 154.2 | 0 | 0 | 0 | 111.2 | L18 L19 A25 L26 | L18-L22 WeakPolarHBondContact O-CB 3.48Å; L18-L22 PolarHBondContact O-N 3.44Å; L19-L22 PolarHBondContact O-N 3.46Å; L22-A25 PolarHBondContact O-N 2.89Å; L22-L26 HydrophobicContact CD2-CD1 3.87Å; L22-L26 HydrophobicContact CD2-CG 4.37Å; L22-L26 WeakPolarHBondContact O-CB 3.48Å; L22-L26 WeakPolarHBondContact O-CD1 3.37Å; L22-L26 VanDerWaalsContact O-CG 3.31Å; L22-L26 WeakPolarHBondContact O-CG 3.13Å; L22-L26 PolarHBondContact O-N 2.82Å |
| 23 | L | 81.8 | Confident | 68.7 | Low | 104 Ų | 104 | 94.9 Ų | 94.9 | 55% | 0.545 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.9 | -42.9 | 174.8 | -147.8 | 80.5 | 0 | 0 | 0 | 111.3 | L19 L26 L27 | L19-L23 WeakPolarHBondContact O-CB 3.24Å; L19-L23 PolarHBondContact O-N 3.48Å; L23-L26 PolarHBondContact O-N 3.49Å; L23-L27 WeakPolarHBondContact O-CB 3.43Å; L23-L27 VanDerWaalsContact O-CG 3.27Å; L23-L27 WeakPolarHBondContact O-CG 3.33Å; L23-L27 PolarHBondContact O-N 3.44Å |
| 24 | A | 78.9 | Confident | 69.6 | Low | 55 Ų | 55 | 90.2 Ų | 90.2 | 46% | 0.455 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.3 | -39.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q20 L21 A28 | Q20-A24 WeakPolarHBondContact O-CB 3.21Å; Q20-A24 PolarHBondContact O-N 3.32Å; L21-A24 PolarHBondContact O-N 3.23Å; A24-A28 WeakPolarHBondContact O-CB 3.31Å; A24-A28 PolarHBondContact O-N 3.36Å |
| 25 | A | 73.8 | Confident | 71 | Confident | 58 Ų | 58 | 86.3 Ų | 86.3 | 48% | 0.479 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.8 | -41.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L21 L22 A28 A29 | L21-A25 WeakPolarHBondContact O-CB 3.46Å; L21-A25 PolarHBondContact O-N 2.81Å; L22-A25 PolarHBondContact O-N 2.89Å; A25-A28 PolarHBondContact O-N 3.34Å; A25-A29 VanDerWaalsContact O-CB 3.24Å; A25-A29 WeakPolarHBondContact O-CB 3.4Å; A25-A29 PolarHBondContact O-N 3.03Å |
| 26 | L | 72 | Confident | 72.6 | Confident | 111 Ų | 111 | 85.7 Ų | 85.7 | 58% | 0.581 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.7 | -45.9 | 174.4 | -78.2 | 161.1 | 0 | 0 | 0 | 111.7 | L22 L23 A29 G30 | L22-L26 HydrophobicContact CD2-CD1 3.87Å; L22-L26 HydrophobicContact CD2-CG 4.37Å; L22-L26 WeakPolarHBondContact O-CB 3.48Å; L22-L26 WeakPolarHBondContact O-CD1 3.37Å; L22-L26 VanDerWaalsContact O-CG 3.31Å; L22-L26 WeakPolarHBondContact O-CG 3.13Å; L22-L26 PolarHBondContact O-N 2.82Å; L23-L26 PolarHBondContact O-N 3.49Å; L26-A29 PolarHBondContact O-N 2.97Å; L26-G30 PolarHBondContact O-N 2.91Å |
| 27 | L | 69.1 | Low | 73.9 | Confident | 122 Ų | 122 | 88.2 Ų | 88.2 | 64% | 0.639 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64 | -41.7 | 174.8 | -71.7 | 165.7 | 0 | 0 | 0 | 111.8 | L23 A29 G30 A31 | L23-L27 WeakPolarHBondContact O-CB 3.43Å; L23-L27 VanDerWaalsContact O-CG 3.27Å; L23-L27 WeakPolarHBondContact O-CG 3.33Å; L23-L27 PolarHBondContact O-N 3.44Å; L27-A29 VanDerWaalsContact C-N 3.33Å; L27-A29 PolarHBondContact O-N 3.21Å; L27-G30 PolarHBondContact O-N 3.3Å; L27-A31 VanDerWaalsContact O-CB 3.26Å; L27-A31 WeakPolarHBondContact O-CB 3.36Å; L27-A31 PolarHBondContact O-N 3.06Å |
| 28 | A | 62.5 | Low | 74.9 | Confident | 35 Ų | 35 | 85.4 Ų | 85.4 | 29% | 0.289 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -73.9 | -21 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114 | A24 A25 R32 | A24-A28 WeakPolarHBondContact O-CB 3.31Å; A24-A28 PolarHBondContact O-N 3.36Å; A25-A28 PolarHBondContact O-N 3.34Å; A28-R32 WeakPolarHBondContact O-CG 3.37Å; A28-R32 PolarHBondContact O-NH1 2.81Å |
| 29 | A | 60 | Low | 75.8 | Confident | 61 Ų | 61 | 84.6 Ų | 84.6 | 50% | 0.504 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -79.6 | -46.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | A25 L26 L27 A31 R32 A33 | A25-A29 VanDerWaalsContact O-CB 3.24Å; A25-A29 WeakPolarHBondContact O-CB 3.4Å; A25-A29 PolarHBondContact O-N 3.03Å; L26-A29 PolarHBondContact O-N 2.97Å; L27-A29 VanDerWaalsContact C-N 3.33Å; L27-A29 PolarHBondContact O-N 3.21Å; A29-A31 VanDerWaalsContact C-N 3.33Å; A29-A31 PolarHBondContact O-N 2.79Å; A29-R32 PolarHBondContact O-N 3.25Å; A29-R32 VanDerWaalsContact O-N 3.13Å; A29-A33 PolarHBondContact O-N 3.16Å |
| 30 | G | 57.6 | Low | 76.5 | Confident | 48 Ų | 48 | 79.6 Ų | 79.6 | 50% | 0.495 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59 | -42.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L26 L27 R32 A33 | L26-G30 PolarHBondContact O-N 2.91Å; L27-G30 PolarHBondContact O-N 3.3Å; G30-R32 PolarHBondContact O-N 3.37Å; G30-A33 PolarHBondContact O-N 2.86Å |
| 31 | A | 55.4 | Low | 77.2 | Confident | 85 Ų | 85 | 73.7 Ų | 73.7 | 70% | 0.702 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -11.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L27 A29 | L27-A31 VanDerWaalsContact O-CB 3.26Å; L27-A31 WeakPolarHBondContact O-CB 3.36Å; L27-A31 PolarHBondContact O-N 3.06Å; A29-A31 VanDerWaalsContact C-N 3.33Å; A29-A31 PolarHBondContact O-N 2.79Å |
| 32 | R | 52.8 | Low | 77.9 | Confident | 200 Ų | 200 | 72 Ų | 72 | 76% | 0.755 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | -8 | 175.4 | -82 | -179.9 | 176.8 | 75.4 | 0.5 | 113.7 | A28 A29 G30 | A28-R32 WeakPolarHBondContact O-CG 3.37Å; A28-R32 PolarHBondContact O-NH1 2.81Å; A29-R32 PolarHBondContact O-N 3.25Å; A29-R32 VanDerWaalsContact O-N 3.13Å; G30-R32 PolarHBondContact O-N 3.37Å |
| 33 | A | 56.4 | Low | 78.5 | Confident | 74 Ų | 74 | 67.9 Ų | 67.9 | 61% | 0.612 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -97.4 | -8.4 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | A29 G30 | A29-A33 PolarHBondContact O-N 3.16Å; G30-A33 PolarHBondContact O-N 2.86Å |
| 34 | S | 73.1 | Confident | 79 | Confident | 86 Ų | 86 | 66.9 Ų | 66.9 | 60% | 0.601 | 42% | 0.416 | S | S | * | . | trans | -117.7 | 114.1 | 177.3 | -60.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 35 | G | 90.6 | Very high | 79.8 | Confident | 19 Ų | 19 | 71.4 Ų | 71.4 | 20% | 0.196 | 43% | 0.428 | C | S | . | . | trans | -75.8 | -158.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q53 C54 T64 | G35-Q53 VanDerWaalsContact C-NE2 3.28Å; G35-Q53 PolarHBondContact O-NE2 2.88Å; G35-C54 VanDerWaalsContact CA-O 3.24Å; G35-C54 WeakPolarHBondContact CA-O 3.05Å; G35-C54 PolarHBondContact N-O 3.39Å; G35-T64 CarbonylContact C-O 3.5Å; G35-T64 VanDerWaalsContact CA-O 3.29Å; G35-T64 WeakPolarHBondContact CA-O 3.32Å | ||
| 36 | E | 95.4 | Very high | 80.6 | Confident | 46 Ų | 46 | 70.9 Ų | 70.9 | 22% | 0.215 | 43% | 0.428 | C | S | . | . | trans | -73 | 152.4 | 175.7 | -63.1 | -173 | 159.1 | 0 | 0 | 112.2 | Q53 C54 T64 I65 C66 R82 | E36-Q53 PolarHBondContact O-NE2 3.33Å; E36-C54 VanDerWaalsContact O-CB 3.28Å; E36-C54 WeakPolarHBondContact O-CB 3.39Å; E36-C54 PolarHBondContact O-N 3.5Å; E36-T64 PolarHBondContact N-O 2.81Å; E36-I65 WeakPolarHBondContact OE2-CG2 3.29Å; E36-C66 HydrophobicContact CB-CB 4.13Å; E36-C66 PolarHBondContact OE2-N 2.92Å; E36-R82 IonicContact OE1-CZ 2.8Å; E36-R82 IonicContact OE1-NE 3.48Å; E36-R82 PolarHBondContact OE1-NE 3.04Å; E36-R82 IonicContact OE1-NH2 2.77Å; E36-R82 PolarHBondContact OE1-NH2 3.46Å; E36-R82 IonicContact OE2-NE 3.06Å; E36-R82 PolarHBondContact OE2-NE 2.88Å | ||
| 37 | Y | 95.6 | Very high | 81.6 | Confident | 104 Ų | 104 | 69.4 Ų | 69.4 | 41% | 0.408 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 119.9 | 169.5 | -173 | -101.3 | 0 | 0 | 0 | 109 | H39 G51 F52 Q53 Q85 | Y37-H39 AromaticContact CD1-ND1 3.99Å; Y37-H39 PolarHBondContact O-N 2.85Å; Y37-G51 PolarHBondContact OH-O 2.84Å; Y37-F52 VanDerWaalsContact CD2-O 3.3Å; Y37-F52 WeakPolarHBondContact CD2-O 3.35Å; Y37-Q53 HydrophobicContact CD2-CB 4.14Å; Y37-Q85 PolarHBondContact O-NE2 2.84Å |
| 38 | C | 96.4 | Very high | 82.8 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 112.7 | 165.8 | -73 | 0 | 0 | 0 | 0 | 108.3 | G51 F52 C66 R73 | C38-G51 CarbonylContact O-C 3.38Å; C38-G51 WeakPolarHBondContact O-CA 3.25Å; C38-F52 HydrophobicContact CB-CD1 4.23Å; C38-F52 HydrophobicContact CB-CD2 4Å; C38-F52 HydrophobicContact CB-CE1 3.83Å; C38-F52 HydrophobicContact CB-CE2 3.55Å; C38-F52 HydrophobicContact CB-CG 4.31Å; C38-F52 HydrophobicContact CB-CZ 3.46Å; C38-F52 VanDerWaalsContact CB-CZ 3.46Å; C38-F52 PolarHBondContact N-O 2.91Å; C38-F52 PolarHBondContact O-N 3.26Å; C38-F52 WeakPolarHBondContact SG-CE2 3.24Å; C38-F52 WeakPolarHBondContact SG-CZ 3.25Å; C38-C66 WeakPolarHBondContact CA-SG 3.29Å; C38-C66 HydrophobicContact CB-CB 4.23Å; C38-C66 WeakPolarHBondContact CB-SG 3.5Å; C38-C66 WeakPolarHBondContact SG-CA 3.23Å; C38-C66 WeakPolarHBondContact SG-CB 3.06Å; C38-C66 CovalentContact SG-SG 2.04Å; C38-C66 PolarHBondContact SG-SG 3.39Å; C38-R73 HydrophobicContact CB-CB 4.27Å |
| 39 | H | 96 | Very high | 84.4 | Confident | 95 Ų | 95 | 71.6 Ų | 71.6 | 44% | 0.44 | 42% | 0.416 | S | S | . | . | trans | -64.3 | 153.1 | 174.1 | -64.8 | -92.4 | 0 | 0 | 0 | 110.9 | Y37 R73 | Y37-H39 AromaticContact CD1-ND1 3.99Å; Y37-H39 PolarHBondContact O-N 2.85Å; H39-R73 PolarHBondContact O-NH1 2.88Å | ||
| 40 | G | 95.6 | Very high | 86 | Confident | 12 Ų | 12 | 75.2 Ų | 75.2 | 12% | 0.124 | 43% | 0.425 | C | S | . | . | trans | -60.9 | 154 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | R49 D91 | G40-R49 CarbonylContact C-O 3.51Å; G40-R49 WeakPolarHBondContact CA-O 3.15Å; G40-D91 WeakPolarHBondContact O-CA 3.32Å | ||
| 41 | W | 96.3 | Very high | 87.8 | Confident | 14 Ų | 14 | 73.8 Ų | 73.8 | 5% | 0.053 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 157.5 | -174.9 | 75 | 98.7 | 0 | 0 | 0 | 112.6 | R49 F52 A71 R73 N90 | W41-R49 HydrophobicContact CD2-CB 3.64Å; W41-R49 HydrophobicContact CD2-CG 4.1Å; W41-R49 HydrophobicContact CE3-CB 3.69Å; W41-R49 HydrophobicContact CG-CB 4.32Å; W41-R49 HydrophobicContact CH2-CB 3.76Å; W41-R49 HydrophobicContact CH2-CG 4.27Å; W41-R49 HydrophobicContact CZ2-CB 3.71Å; W41-R49 HydrophobicContact CZ2-CG 3.74Å; W41-R49 HydrophobicContact CZ3-CB 3.74Å; W41-R49 PolarHBondContact N-O 2.86Å; W41-R49 WeakPolarHBondContact O-CB 3.36Å; W41-R49 PolarHBondContact O-N 3.22Å; W41-F52 AromaticContact CH2-CE1 3.75Å; W41-F52 HydrophobicContact CH2-CE1 3.75Å; W41-F52 HydrophobicContact CZ3-CD1 4.29Å; W41-F52 AromaticContact CZ3-CE1 3.64Å; W41-F52 HydrophobicContact CZ3-CE1 3.64Å; W41-A71 PolarHBondContact NE1-O 2.98Å; W41-R73 HydrophobicContact CD2-CB 4.33Å; W41-R73 HydrophobicContact CD2-CG 3.78Å; W41-R73 HydrophobicContact CE3-CB 4.09Å; W41-R73 HydrophobicContact CE3-CG 3.86Å; W41-R73 HydrophobicContact CG-CG 4.29Å; W41-R73 HydrophobicContact CH2-CB 3.89Å; W41-R73 HydrophobicContact CH2-CG 4.4Å; W41-R73 HydrophobicContact CZ2-CB 4.12Å; W41-R73 HydrophobicContact CZ2-CG 4.31Å; W41-R73 HydrophobicContact CZ3-CB 3.88Å; W41-R73 HydrophobicContact CZ3-CG 4.19Å; W41-N90 CarbonylContact C-O 3.55Å; W41-N90 VanDerWaalsContact CA-O 3.32Å; W41-N90 WeakPolarHBondContact CA-O 3.41Å |
| 42 | L | 95.9 | Very high | 89.7 | Confident | 77 Ų | 77 | 71.3 Ų | 71.3 | 40% | 0.403 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 119 | 166.7 | -153.3 | 77.7 | 0 | 0 | 0 | 109.6 | G46 W48 N90 | L42-G46 WeakPolarHBondContact CD1-O 3.02Å; L42-W48 HydrophobicContact CD1-CB 4.4Å; L42-W48 HydrophobicContact CD1-CE3 4.31Å; L42-N90 HydrophobicContact CB-CB 4.34Å; L42-N90 PolarHBondContact N-O 3.43Å; L42-N90 PolarHBondContact O-ND2 2.97Å |
| 43 | D | 94.4 | Very high | 91.8 | Very high | 19 Ų | 19 | 65.6 Ų | 65.6 | 10% | 0.102 | 37% | 0.366 | C | S | . | . | trans | -73 | 175.4 | 178.5 | 69.8 | 19.6 | 0 | 0 | 0 | 112.9 | Q45 G46 V47 R49 | D43-Q45 VanDerWaalsContact CG-OE1 3.28Å; D43-Q45 PolarHBondContact O-N 3.36Å; D43-Q45 WeakPolarHBondContact OD1-CA 3.27Å; D43-Q45 WeakPolarHBondContact OD1-CB 3.4Å; D43-Q45 PolarHBondContact OD1-N 2.89Å; D43-Q45 PolarHBondContact OD1-OE1 2.84Å; D43-G46 PolarHBondContact O-N 3.43Å; D43-G46 PolarHBondContact OD1-N 3.37Å; D43-V47 PolarHBondContact N-O 2.86Å; D43-V47 WeakPolarHBondContact OD1-CB 3.18Å; D43-V47 PolarHBondContact OD1-N 3.35Å; D43-R49 HydrophobicContact CB-CG 3.93Å; D43-R49 WeakPolarHBondContact OD2-CD 3.24Å; D43-R49 IonicContact OD2-NH1 3.56Å | ||
| 44 | A | 92.4 | Very high | 93.6 | Very high | 83 Ų | 83 | 62.1 Ų | 62.1 | 69% | 0.686 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -12.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | A71 | A44-A71 HydrophobicContact CB-CB 4.31Š|
| 45 | Q | 94.2 | Very high | 94.7 | Very high | 151 Ų | 151 | 60.1 Ų | 60.1 | 71% | 0.706 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -0.2 | 177 | -62.7 | 75.4 | 14.3 | 0 | 0 | 112.1 | D43 V47 | D43-Q45 VanDerWaalsContact CG-OE1 3.28Å; D43-Q45 PolarHBondContact O-N 3.36Å; D43-Q45 WeakPolarHBondContact OD1-CA 3.27Å; D43-Q45 WeakPolarHBondContact OD1-CB 3.4Å; D43-Q45 PolarHBondContact OD1-N 2.89Å; D43-Q45 PolarHBondContact OD1-OE1 2.84Å; Q45-V47 VanDerWaalsContact C-N 3.32Å; Q45-V47 HydrophobicContact CB-CG2 4.29Å |
| 46 | G | 90.6 | Very high | 94.8 | Very high | 47 Ų | 47 | 62.9 Ų | 62.9 | 49% | 0.485 | 33% | 0.33 | S | S | . | . | S | Bend | trans | 78.4 | 14.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L42 D43 | L42-G46 WeakPolarHBondContact CD1-O 3.02Å; D43-G46 PolarHBondContact O-N 3.43Å; D43-G46 PolarHBondContact OD1-N 3.37Å |
| 47 | V | 93.9 | Very high | 94.5 | Very high | 79 Ų | 79 | 69.5 Ų | 69.5 | 48% | 0.479 | 35% | 0.353 | S | S | . | . | trans | -93.1 | 132.5 | 179.5 | -178.2 | 0 | 0 | 0 | 0 | 109.6 | D43 Q45 R49 | D43-V47 PolarHBondContact N-O 2.86Å; D43-V47 WeakPolarHBondContact OD1-CB 3.18Å; D43-V47 PolarHBondContact OD1-N 3.35Å; Q45-V47 VanDerWaalsContact C-N 3.32Å; Q45-V47 HydrophobicContact CB-CG2 4.29Å; V47-R49 PolarHBondContact O-N 3.42Å | ||
| 48 | W | 94.4 | Very high | 94.2 | Very high | 83 Ų | 83 | 72.4 Ų | 72.4 | 31% | 0.314 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 125.2 | 176.8 | -178.8 | -102.9 | 0 | 0 | 0 | 111.4 | L42 D91 Q93 | L42-W48 HydrophobicContact CD1-CB 4.4Å; L42-W48 HydrophobicContact CD1-CE3 4.31Å; W48-D91 VanDerWaalsContact CH2-O 3.31Å; W48-D91 WeakPolarHBondContact CH2-O 3.3Å; W48-Q93 HydrophobicContact CD2-CB 4.49Å; W48-Q93 HydrophobicContact CD2-CG 4.15Å; W48-Q93 HydrophobicContact CE3-CB 4.35Å; W48-Q93 HydrophobicContact CE3-CG 4.29Å; W48-Q93 HydrophobicContact CH2-CB 3.69Å; W48-Q93 HydrophobicContact CH2-CG 4.38Å; W48-Q93 HydrophobicContact CZ2-CB 3.83Å; W48-Q93 HydrophobicContact CZ2-CG 4.23Å; W48-Q93 HydrophobicContact CZ3-CB 3.96Å; W48-Q93 HydrophobicContact CZ3-CG 4.41Å |
| 49 | R | 95.3 | Very high | 94 | Very high | 120 Ų | 120 | 75.6 Ų | 75.6 | 45% | 0.453 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 128 | 176.4 | -52 | -53.3 | -65 | -131.5 | 0.8 | 109 | G40 W41 D43 V47 | G40-R49 CarbonylContact C-O 3.51Å; G40-R49 WeakPolarHBondContact CA-O 3.15Å; W41-R49 HydrophobicContact CD2-CB 3.64Å; W41-R49 HydrophobicContact CD2-CG 4.1Å; W41-R49 HydrophobicContact CE3-CB 3.69Å; W41-R49 HydrophobicContact CG-CB 4.32Å; W41-R49 HydrophobicContact CH2-CB 3.76Å; W41-R49 HydrophobicContact CH2-CG 4.27Å; W41-R49 HydrophobicContact CZ2-CB 3.71Å; W41-R49 HydrophobicContact CZ2-CG 3.74Å; W41-R49 HydrophobicContact CZ3-CB 3.74Å; W41-R49 PolarHBondContact N-O 2.86Å; W41-R49 WeakPolarHBondContact O-CB 3.36Å; W41-R49 PolarHBondContact O-N 3.22Å; D43-R49 HydrophobicContact CB-CG 3.93Å; D43-R49 WeakPolarHBondContact OD2-CD 3.24Å; D43-R49 IonicContact OD2-NH1 3.56Å; V47-R49 PolarHBondContact O-N 3.42Å |
| 50 | I | 94.2 | Very high | 93.7 | Very high | 137 Ų | 137 | 72.9 Ų | 72.9 | 70% | 0.703 | 38% | 0.382 | S | S | * | . | trans | -69.4 | 147.6 | 174.1 | 61.3 | 172.2 | 0 | 0 | 0 | 110.6 | ||||
| 51 | G | 94.9 | Very high | 93.4 | Very high | 18 Ų | 18 | 75.7 Ų | 75.7 | 19% | 0.186 | 41% | 0.411 | C | S | . | . | trans | -73.6 | 158.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y37 C38 | Y37-G51 PolarHBondContact OH-O 2.84Å; C38-G51 CarbonylContact O-C 3.38Å; C38-G51 WeakPolarHBondContact O-CA 3.25Å | ||
| 52 | F | 95.3 | Very high | 93.3 | Very high | 33 Ų | 33 | 79.7 Ų | 79.7 | 15% | 0.145 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 156 | -177.6 | 54.8 | -92.3 | 0 | 0 | 0 | 111.6 | Y37 C38 W41 E56 R73 C75 | Y37-F52 VanDerWaalsContact CD2-O 3.3Å; Y37-F52 WeakPolarHBondContact CD2-O 3.35Å; C38-F52 HydrophobicContact CB-CD1 4.23Å; C38-F52 HydrophobicContact CB-CD2 4Å; C38-F52 HydrophobicContact CB-CE1 3.83Å; C38-F52 HydrophobicContact CB-CE2 3.55Å; C38-F52 HydrophobicContact CB-CG 4.31Å; C38-F52 HydrophobicContact CB-CZ 3.46Å; C38-F52 VanDerWaalsContact CB-CZ 3.46Å; C38-F52 PolarHBondContact N-O 2.91Å; C38-F52 PolarHBondContact O-N 3.26Å; C38-F52 WeakPolarHBondContact SG-CE2 3.24Å; C38-F52 WeakPolarHBondContact SG-CZ 3.25Å; W41-F52 AromaticContact CH2-CE1 3.75Å; W41-F52 HydrophobicContact CH2-CE1 3.75Å; W41-F52 HydrophobicContact CZ3-CD1 4.29Å; W41-F52 AromaticContact CZ3-CE1 3.64Å; W41-F52 HydrophobicContact CZ3-CE1 3.64Å; F52-E56 HydrophobicContact CB-CG 4.4Å; F52-E56 HydrophobicContact CD2-CG 4.09Å; F52-E56 HydrophobicContact CG-CG 4.44Å; F52-R73 HydrophobicContact CZ-CB 4.36Å; F52-C75 WeakPolarHBondContact CE2-SG 3.2Å |
| 53 | Q | 96.4 | Very high | 93.3 | Very high | 81 Ų | 81 | 76.4 Ų | 76.4 | 38% | 0.379 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 125.1 | 179.5 | 177.1 | 60 | 61.8 | 0 | 0 | 109.3 | G35 E36 Y37 P55 | G35-Q53 VanDerWaalsContact C-NE2 3.28Å; G35-Q53 PolarHBondContact O-NE2 2.88Å; E36-Q53 PolarHBondContact O-NE2 3.33Å; Y37-Q53 HydrophobicContact CD2-CB 4.14Å; Q53-P55 CarbonylContact O-C 3.59Å |
| 54 | C | 95.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 78.1 Ų | 78.1 | 1% | 0.007 | 43% | 0.429 | C | S | . | . | S | Bend | trans | -83.6 | 147.4 | 175 | -67.7 | 0 | 0 | 0 | 0 | 112.2 | G35 E36 A63 C75 | G35-C54 VanDerWaalsContact CA-O 3.24Å; G35-C54 WeakPolarHBondContact CA-O 3.05Å; G35-C54 PolarHBondContact N-O 3.39Å; E36-C54 VanDerWaalsContact O-CB 3.28Å; E36-C54 WeakPolarHBondContact O-CB 3.39Å; E36-C54 PolarHBondContact O-N 3.5Å; C54-A63 WeakPolarHBondContact CB-O 3.32Å; C54-C75 WeakPolarHBondContact CA-SG 3.21Å; C54-C75 HydrophobicContact CB-CB 3.85Å; C54-C75 WeakPolarHBondContact CB-SG 3.42Å; C54-C75 WeakPolarHBondContact SG-CA 3.28Å; C54-C75 WeakPolarHBondContact SG-CB 3.33Å; C54-C75 CovalentContact SG-SG 2.04Å; C54-C75 PolarHBondContact SG-SG 3.43Å |
| 55 | P | 95 | Very high | 93.6 | Very high | 43 Ų | 43 | 75.3 Ų | 75.3 | 28% | 0.279 | 40% | 0.402 | S | S | . | . | S | Bend | cis | -70.1 | 148 | -14.5 | 30 | -33.8 | 0 | 0 | 0 | 111.8 | Q53 D59 G60 A63 | Q53-P55 CarbonylContact O-C 3.59Å; P55-D59 HydrophobicContact CB-CB 3.99Å; P55-G60 WeakPolarHBondContact CB-O 3.23Å; P55-A63 WeakPolarHBondContact CA-O 3.31Å; P55-A63 HydrophobicContact CB-CB 4.38Å; P55-A63 WeakPolarHBondContact CB-O 3.5Å |
| 56 | E | 92.2 | Very high | 93.8 | Very high | 77 Ų | 77 | 68.1 Ų | 68.1 | 36% | 0.36 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 166.3 | 168.1 | -76.2 | -156.6 | 61 | 0 | 0 | 111.4 | F52 F58 D59 | F52-E56 HydrophobicContact CB-CG 4.4Å; F52-E56 HydrophobicContact CD2-CG 4.09Å; F52-E56 HydrophobicContact CG-CG 4.44Å; E56-F58 PolarHBondContact O-N 3.39Å; E56-D59 WeakPolarHBondContact CA-OD2 3.25Å; E56-D59 VanDerWaalsContact CB-OD2 3.29Å; E56-D59 WeakPolarHBondContact CB-OD2 3.32Å; E56-D59 PolarHBondContact N-OD2 3.37Å; E56-D59 PolarHBondContact O-N 2.92Å |
| 57 | R | 88.9 | Confident | 94.1 | Very high | 185 Ų | 185 | 65.9 Ų | 65.9 | 70% | 0.698 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -15.8 | -179.4 | 75.8 | -166.3 | 179.6 | -73.6 | 3 | 116.4 | ||
| 58 | F | 90.3 | Very high | 94.2 | Very high | 166 Ų | 166 | 63.7 Ų | 63.7 | 73% | 0.728 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.3 | 1.3 | -176.8 | -64.6 | -37.3 | 0 | 0 | 0 | 113.3 | E56 | E56-F58 PolarHBondContact O-N 3.39Š|
| 59 | D | 91.5 | Very high | 94.3 | Very high | 67 Ų | 67 | 62.7 Ų | 62.7 | 36% | 0.358 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -85.4 | 168.5 | 177.1 | -60.5 | -34 | 0 | 0 | 0 | 111.6 | P55 E56 A63 C75 | P55-D59 HydrophobicContact CB-CB 3.99Å; E56-D59 WeakPolarHBondContact CA-OD2 3.25Å; E56-D59 VanDerWaalsContact CB-OD2 3.29Å; E56-D59 WeakPolarHBondContact CB-OD2 3.32Å; E56-D59 PolarHBondContact N-OD2 3.37Å; E56-D59 PolarHBondContact O-N 2.92Å; D59-A63 HydrophobicContact CB-CB 3.88Å; D59-C75 VanDerWaalsContact OD2-CB 3.23Å; D59-C75 WeakPolarHBondContact OD2-CB 3.24Å; D59-C75 PolarHBondContact OD2-SG 3.13Å |
| 60 | G | 89.9 | Confident | 94.4 | Very high | 37 Ų | 37 | 59 Ų | 59 | 38% | 0.381 | 34% | 0.336 | S | S | . | . | trans | -63.5 | 144.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | P55 D62 A63 | P55-G60 WeakPolarHBondContact CB-O 3.23Å; G60-D62 PolarHBondContact O-N 3.42Å; G60-D62 VanDerWaalsContact O-N 3.08Å; G60-A63 VanDerWaalsContact O-CB 3.23Å; G60-A63 WeakPolarHBondContact O-CB 3.44Å; G60-A63 PolarHBondContact O-N 3.38Å | ||
| 61 | G | 90.6 | Very high | 94.5 | Very high | 71 Ų | 71 | 54.1 Ų | 54.1 | 73% | 0.732 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -12.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 62 | D | 93.6 | Very high | 94.5 | Very high | 99 Ų | 99 | 58.1 Ų | 58.1 | 53% | 0.529 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -12.4 | 172.5 | 64.5 | -51.1 | 0 | 0 | 0 | 113.6 | G60 T64 S77 | G60-D62 PolarHBondContact O-N 3.42Å; G60-D62 VanDerWaalsContact O-N 3.08Å; D62-T64 PolarHBondContact O-N 2.83Å; D62-T64 PolarHBondContact O-OG1 3.49Å; D62-S77 VanDerWaalsContact O-CB 3.25Å; D62-S77 WeakPolarHBondContact O-CB 3.26Å; D62-S77 WeakPolarHBondContact OD2-CB 3.34Å; D62-S77 PolarHBondContact OD2-OG 3.41Å |
| 63 | A | 95.6 | Very high | 94.6 | Very high | 8 Ų | 8 | 57 Ų | 57 | 7% | 0.066 | 33% | 0.328 | C | S | . | . | trans | -74.2 | 61.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | C54 P55 D59 G60 C75 C76 | C54-A63 WeakPolarHBondContact CB-O 3.32Å; P55-A63 WeakPolarHBondContact CA-O 3.31Å; P55-A63 HydrophobicContact CB-CB 4.38Å; P55-A63 WeakPolarHBondContact CB-O 3.5Å; D59-A63 HydrophobicContact CB-CB 3.88Å; G60-A63 VanDerWaalsContact O-CB 3.23Å; G60-A63 WeakPolarHBondContact O-CB 3.44Å; G60-A63 PolarHBondContact O-N 3.38Å; A63-C75 HydrophobicContact CB-CB 4.21Å; A63-C76 CarbonylContact C-O 3.28Å; A63-C76 VanDerWaalsContact C-O 3.28Å; A63-C76 VanDerWaalsContact CA-O 3.32Å; A63-C76 WeakPolarHBondContact CA-O 3.44Å | ||
| 64 | T | 96.4 | Very high | 94.6 | Very high | 54 Ų | 54 | 58.2 Ų | 58.2 | 33% | 0.331 | 33% | 0.33 | S | S | . | . | trans | -95.2 | 2.1 | -169.8 | 52.3 | 0 | 0 | 0 | 0 | 113.6 | G35 E36 D62 C76 | G35-T64 CarbonylContact C-O 3.5Å; G35-T64 VanDerWaalsContact CA-O 3.29Å; G35-T64 WeakPolarHBondContact CA-O 3.32Å; E36-T64 PolarHBondContact N-O 2.81Å; D62-T64 PolarHBondContact O-N 2.83Å; D62-T64 PolarHBondContact O-OG1 3.49Å; T64-C76 PolarHBondContact N-O 2.83Å | ||
| 65 | I | 96.8 | Very high | 94.7 | Very high | 25 Ų | 25 | 58.9 Ų | 58.9 | 13% | 0.128 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 139.9 | -171.4 | -52.2 | 178.7 | 0 | 0 | 0 | 109.5 | E36 C67 C75 C76 A79 R82 | E36-I65 WeakPolarHBondContact OE2-CG2 3.29Å; I65-C67 PolarHBondContact O-SG 3.45Å; I65-C67 VanDerWaalsContact O-SG 3.35Å; I65-C75 CarbonylContact O-C 3.41Å; I65-C75 WeakPolarHBondContact O-CA 3.29Å; I65-C76 VanDerWaalsContact CB-O 3.29Å; I65-C76 WeakPolarHBondContact CB-O 3.48Å; I65-C76 PolarHBondContact N-O 2.92Å; I65-C76 PolarHBondContact O-N 3.23Å; I65-A79 HydrophobicContact CD1-CB 4.32Å; I65-R82 HydrophobicContact CG2-CB 3.66Å; I65-R82 HydrophobicContact CG2-CG 3.47Å; I65-R82 VanDerWaalsContact CG2-CG 3.47Å |
| 66 | C | 97.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 118.2 | 171.3 | -171 | 0 | 0 | 0 | 0 | 109.8 | E36 C38 R82 L83 Q85 | E36-C66 HydrophobicContact CB-CB 4.13Å; E36-C66 PolarHBondContact OE2-N 2.92Å; C38-C66 WeakPolarHBondContact CA-SG 3.29Å; C38-C66 HydrophobicContact CB-CB 4.23Å; C38-C66 WeakPolarHBondContact CB-SG 3.5Å; C38-C66 WeakPolarHBondContact SG-CA 3.23Å; C38-C66 WeakPolarHBondContact SG-CB 3.06Å; C38-C66 CovalentContact SG-SG 2.04Å; C38-C66 PolarHBondContact SG-SG 3.39Å; C66-R82 WeakPolarHBondContact O-CA 3.09Å; C66-L83 PolarHBondContact O-N 3.03Å; C66-Q85 VanDerWaalsContact SG-CD 3.56Å |
| 67 | C | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 161.6 | -168.2 | -54.7 | 0 | 0 | 0 | 0 | 112.6 | I65 R73 Y74 C76 A81 | I65-C67 PolarHBondContact O-SG 3.45Å; I65-C67 VanDerWaalsContact O-SG 3.35Å; C67-R73 WeakPolarHBondContact O-CA 3.43Å; C67-Y74 HydrophobicContact CB-CD2 4.28Å; C67-Y74 HydrophobicContact CB-CE1 4.3Å; C67-Y74 HydrophobicContact CB-CE2 3.91Å; C67-Y74 PolarHBondContact N-O 3.45Å; C67-Y74 WeakPolarHBondContact O-CD1 3.33Å; C67-Y74 PolarHBondContact O-N 2.96Å; C67-C76 HydrophobicContact CB-CB 3.73Å; C67-C76 WeakPolarHBondContact CB-SG 3.32Å; C67-C76 WeakPolarHBondContact SG-CB 3.32Å; C67-C76 CovalentContact SG-SG 2.03Å; C67-C76 PolarHBondContact SG-SG 3.21Å; C67-A81 CarbonylContact C-O 3.57Å; C67-A81 WeakPolarHBondContact CA-O 3.17Å; C67-A81 HydrophobicContact CB-CB 4.23Å; C67-A81 VanDerWaalsContact CB-O 3.26Å; C67-A81 WeakPolarHBondContact CB-O 3.05Å |
| 68 | G | 96.5 | Very high | 95.3 | Very high | 33 Ų | 33 | 50.5 Ų | 50.5 | 34% | 0.34 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 112.2 | -129.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y74 A81 | G68-Y74 VanDerWaalsContact CA-CE1 3.46Å; G68-A81 PolarHBondContact N-O 2.89Å |
| 69 | S | 96.8 | Very high | 95.5 | Very high | 61 Ų | 61 | 45.7 Ų | 45.7 | 43% | 0.427 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 165.7 | -179.3 | 72.7 | 0 | 0 | 0 | 0 | 110.9 | A71 L72 L83 | S69-A71 PolarHBondContact O-N 3.25Å; S69-L72 PolarHBondContact N-O 2.95Å; S69-L72 CarbonylContact O-C 3.21Å; S69-L72 PolarHBondContact O-N 3.45Å; S69-L72 PolarHBondContact OG-N 3.41Å; S69-L83 WeakPolarHBondContact O-CD2 3.46Å |
| 70 | C | 96.2 | Very high | 95.7 | Very high | 42 Ų | 42 | 50.4 Ų | 50.4 | 28% | 0.284 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -35.7 | 178.9 | -62.3 | 0 | 0 | 0 | 0 | 113.3 | R73 C88 N90 | C70-R73 PolarHBondContact O-NE 2.91Å; C70-C88 WeakPolarHBondContact CA-SG 3.45Å; C70-C88 HydrophobicContact CB-CB 3.68Å; C70-C88 WeakPolarHBondContact CB-SG 3.46Å; C70-C88 WeakPolarHBondContact SG-CA 3.37Å; C70-C88 WeakPolarHBondContact SG-CB 3.46Å; C70-C88 CovalentContact SG-SG 2.04Å; C70-C88 PolarHBondContact SG-SG 2.9Å; C70-N90 VanDerWaalsContact C-ND2 3.31Å; C70-N90 WeakPolarHBondContact CB-OD1 3Å; C70-N90 PolarHBondContact O-ND2 3.27Å; C70-N90 PolarHBondContact O-OD1 2.68Å |
| 71 | A | 95.6 | Very high | 96 | Very high | 35 Ų | 35 | 50.2 Ų | 50.2 | 29% | 0.289 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -7.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | W41 A44 S69 | W41-A71 PolarHBondContact NE1-O 2.98Å; A44-A71 HydrophobicContact CB-CB 4.31Å; S69-A71 PolarHBondContact O-N 3.25Å |
| 72 | L | 95.8 | Very high | 96.4 | Very high | 103 Ų | 103 | 53.9 Ų | 53.9 | 54% | 0.539 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 105.2 | 178.7 | -168.9 | 163.5 | 0 | 0 | 0 | 109.8 | S69 Y74 | S69-L72 PolarHBondContact N-O 2.95Å; S69-L72 CarbonylContact O-C 3.21Å; S69-L72 PolarHBondContact O-N 3.45Å; S69-L72 PolarHBondContact OG-N 3.41Å; L72-Y74 HydrophobicContact CD2-CD1 3.66Å; L72-Y74 HydrophobicContact CD2-CE1 4.18Å |
| 73 | R | 97.1 | Very high | 96.6 | Very high | 10 Ų | 10 | 50.1 Ų | 50.1 | 4% | 0.038 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 140.2 | -178.8 | -46.5 | -172.3 | -172.1 | -168.7 | 5.1 | 110.3 | C38 H39 W41 F52 C67 C70 L83 N90 | C38-R73 HydrophobicContact CB-CB 4.27Å; H39-R73 PolarHBondContact O-NH1 2.88Å; W41-R73 HydrophobicContact CD2-CB 4.33Å; W41-R73 HydrophobicContact CD2-CG 3.78Å; W41-R73 HydrophobicContact CE3-CB 4.09Å; W41-R73 HydrophobicContact CE3-CG 3.86Å; W41-R73 HydrophobicContact CG-CG 4.29Å; W41-R73 HydrophobicContact CH2-CB 3.89Å; W41-R73 HydrophobicContact CH2-CG 4.4Å; W41-R73 HydrophobicContact CZ2-CB 4.12Å; W41-R73 HydrophobicContact CZ2-CG 4.31Å; W41-R73 HydrophobicContact CZ3-CB 3.88Å; W41-R73 HydrophobicContact CZ3-CG 4.19Å; F52-R73 HydrophobicContact CZ-CB 4.36Å; C67-R73 WeakPolarHBondContact O-CA 3.43Å; C70-R73 PolarHBondContact O-NE 2.91Å; R73-L83 HydrophobicContact CG-CD2 3.68Å; R73-N90 PolarHBondContact NH2-OD1 3.27Å |
| 74 | Y | 96.6 | Very high | 96.6 | Very high | 106 Ų | 106 | 55.8 Ų | 55.8 | 42% | 0.416 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 158.3 | 177.8 | 62 | -81 | 0 | 0 | 0 | 110.6 | C67 G68 L72 C76 | C67-Y74 HydrophobicContact CB-CD2 4.28Å; C67-Y74 HydrophobicContact CB-CE1 4.3Å; C67-Y74 HydrophobicContact CB-CE2 3.91Å; C67-Y74 PolarHBondContact N-O 3.45Å; C67-Y74 WeakPolarHBondContact O-CD1 3.33Å; C67-Y74 PolarHBondContact O-N 2.96Å; G68-Y74 VanDerWaalsContact CA-CE1 3.46Å; L72-Y74 HydrophobicContact CD2-CD1 3.66Å; L72-Y74 HydrophobicContact CD2-CE1 4.18Å; Y74-C76 HydrophobicContact CD2-CB 4.22Å; Y74-C76 HydrophobicContact CE2-CB 3.87Å |
| 75 | C | 97.3 | Very high | 96.6 | Very high | 15 Ų | 15 | 54.6 Ų | 54.6 | 10% | 0.101 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 136.8 | 174 | -60.2 | 0 | 0 | 0 | 0 | 111.4 | F52 C54 D59 A63 I65 | F52-C75 WeakPolarHBondContact CE2-SG 3.2Å; C54-C75 WeakPolarHBondContact CA-SG 3.21Å; C54-C75 HydrophobicContact CB-CB 3.85Å; C54-C75 WeakPolarHBondContact CB-SG 3.42Å; C54-C75 WeakPolarHBondContact SG-CA 3.28Å; C54-C75 WeakPolarHBondContact SG-CB 3.33Å; C54-C75 CovalentContact SG-SG 2.04Å; C54-C75 PolarHBondContact SG-SG 3.43Å; D59-C75 VanDerWaalsContact OD2-CB 3.23Å; D59-C75 WeakPolarHBondContact OD2-CB 3.24Å; D59-C75 PolarHBondContact OD2-SG 3.13Å; A63-C75 HydrophobicContact CB-CB 4.21Å; I65-C75 CarbonylContact O-C 3.41Å; I65-C75 WeakPolarHBondContact O-CA 3.29Å |
| 76 | C | 97.1 | Very high | 96.4 | Very high | 19 Ų | 19 | 57 Ų | 57 | 13% | 0.128 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 174.3 | 171.5 | 90.3 | 0 | 0 | 0 | 0 | 112.1 | A63 T64 I65 C67 Y74 S78 | A63-C76 CarbonylContact C-O 3.28Å; A63-C76 VanDerWaalsContact C-O 3.28Å; A63-C76 VanDerWaalsContact CA-O 3.32Å; A63-C76 WeakPolarHBondContact CA-O 3.44Å; T64-C76 PolarHBondContact N-O 2.83Å; I65-C76 VanDerWaalsContact CB-O 3.29Å; I65-C76 WeakPolarHBondContact CB-O 3.48Å; I65-C76 PolarHBondContact N-O 2.92Å; I65-C76 PolarHBondContact O-N 3.23Å; C67-C76 HydrophobicContact CB-CB 3.73Å; C67-C76 WeakPolarHBondContact CB-SG 3.32Å; C67-C76 WeakPolarHBondContact SG-CB 3.32Å; C67-C76 CovalentContact SG-SG 2.03Å; C67-C76 PolarHBondContact SG-SG 3.21Å; Y74-C76 HydrophobicContact CD2-CB 4.22Å; Y74-C76 HydrophobicContact CE2-CB 3.87Å; C76-S78 PolarHBondContact SG-O 2.75Å; C76-S78 VanDerWaalsContact SG-O 3.35Å |
| 77 | S | 96.3 | Very high | 96.3 | Very high | 67 Ų | 67 | 59.7 Ų | 59.7 | 47% | 0.469 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -108.8 | -1.6 | 178 | 53.7 | 0 | 0 | 0 | 0 | 114.4 | D62 | D62-S77 VanDerWaalsContact O-CB 3.25Å; D62-S77 WeakPolarHBondContact O-CB 3.26Å; D62-S77 WeakPolarHBondContact OD2-CB 3.34Å; D62-S77 PolarHBondContact OD2-OG 3.41Å |
| 78 | S | 95.9 | Very high | 96.2 | Very high | 42 Ų | 42 | 60 Ų | 60 | 29% | 0.294 | 37% | 0.371 | S | S | . | . | trans | -89.2 | 126.2 | 175.6 | 162.9 | 0 | 0 | 0 | 0 | 110.9 | C76 E80 A81 | C76-S78 PolarHBondContact SG-O 2.75Å; C76-S78 VanDerWaalsContact SG-O 3.35Å; S78-E80 VanDerWaalsContact C-N 3.26Å; S78-E80 WeakPolarHBondContact CB-OE2 3.17Å; S78-E80 PolarHBondContact OG-N 3.08Å; S78-E80 PolarHBondContact OG-OE2 3.32Å; S78-A81 PolarHBondContact OG-N 3.3Å | ||
| 79 | A | 95.3 | Very high | 96 | Very high | 65 Ų | 65 | 65.6 Ų | 65.6 | 54% | 0.537 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -73.9 | -21.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I65 R82 | I65-A79 HydrophobicContact CD1-CB 4.32Å; A79-R82 WeakPolarHBondContact O-CB 3.5Å; A79-R82 PolarHBondContact O-N 2.95Å |
| 80 | E | 95.6 | Very high | 95.8 | Very high | 167 Ų | 167 | 64.4 Ų | 64.4 | 78% | 0.78 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -28.7 | 179.1 | -55.8 | 72.2 | -158.8 | 0 | 0 | 112.2 | S78 | S78-E80 VanDerWaalsContact C-N 3.26Å; S78-E80 WeakPolarHBondContact CB-OE2 3.17Å; S78-E80 PolarHBondContact OG-N 3.08Å; S78-E80 PolarHBondContact OG-OE2 3.32Å |
| 81 | A | 96.4 | Very high | 95.3 | Very high | 33 Ų | 33 | 65.9 Ų | 65.9 | 27% | 0.273 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | C67 G68 S78 L83 | C67-A81 CarbonylContact C-O 3.57Å; C67-A81 WeakPolarHBondContact CA-O 3.17Å; C67-A81 HydrophobicContact CB-CB 4.23Å; C67-A81 VanDerWaalsContact CB-O 3.26Å; C67-A81 WeakPolarHBondContact CB-O 3.05Å; G68-A81 PolarHBondContact N-O 2.89Å; S78-A81 PolarHBondContact OG-N 3.3Å; A81-L83 PolarHBondContact O-N 3.43Å |
| 82 | R | 97.8 | Very high | 94.6 | Very high | 148 Ų | 148 | 73.5 Ų | 73.5 | 56% | 0.558 | 41% | 0.409 | S | S | * | . | B | Isolated β-bridge | trans | -61.4 | 130.7 | -177.9 | -174.4 | 171.9 | -174.9 | -136.7 | 4.3 | 111.2 | E36 I65 C66 A79 | E36-R82 IonicContact OE1-CZ 2.8Å; E36-R82 IonicContact OE1-NE 3.48Å; E36-R82 PolarHBondContact OE1-NE 3.04Å; E36-R82 IonicContact OE1-NH2 2.77Å; E36-R82 PolarHBondContact OE1-NH2 3.46Å; E36-R82 IonicContact OE2-NE 3.06Å; E36-R82 PolarHBondContact OE2-NE 2.88Å; I65-R82 HydrophobicContact CG2-CB 3.66Å; I65-R82 HydrophobicContact CG2-CG 3.47Å; I65-R82 VanDerWaalsContact CG2-CG 3.47Å; C66-R82 WeakPolarHBondContact O-CA 3.09Å; A79-R82 WeakPolarHBondContact O-CB 3.5Å; A79-R82 PolarHBondContact O-N 2.95Å |
| 83 | L | 97.4 | Very high | 93.5 | Very high | 19 Ų | 19 | 73.8 Ų | 73.8 | 10% | 0.099 | 41% | 0.407 | C | S | . | . | trans | -86.6 | 122.5 | 177.1 | 177 | 59.4 | 0 | 0 | 0 | 110.2 | C66 S69 R73 A81 Q85 | C66-L83 PolarHBondContact O-N 3.03Å; S69-L83 WeakPolarHBondContact O-CD2 3.46Å; R73-L83 HydrophobicContact CG-CD2 3.68Å; A81-L83 PolarHBondContact O-N 3.43Å; L83-Q85 VanDerWaalsContact C-N 3.3Å; L83-Q85 HydrophobicContact CB-CG 4.44Å; L83-Q85 HydrophobicContact CD2-CG 4.05Å; L83-Q85 HydrophobicContact CG-CG 3.98Å; L83-Q85 PolarHBondContact O-N 3.2Å | ||
| 84 | D | 96.7 | Very high | 91.7 | Very high | 127 Ų | 127 | 81.9 Ų | 81.9 | 68% | 0.679 | 45% | 0.446 | S | S | * | . | trans | -73.8 | 88.3 | 164.1 | -174.1 | 4.4 | 0 | 0 | 0 | 109.9 | G86 G87 | D84-G86 PolarHBondContact O-N 2.88Å; D84-G86 PolarHBondContact OD1-N 3.5Å; D84-G87 PolarHBondContact O-N 3.35Å | ||
| 85 | Q | 95.2 | Very high | 89.5 | Confident | 29 Ų | 29 | 80 Ų | 80 | 14% | 0.136 | 46% | 0.459 | C | S | . | . | G | 310 helix | trans | -63.7 | -20.4 | -178.1 | -62.1 | -174 | 85.8 | 0 | 0 | 113.1 | Y37 C66 L83 G87 C88 | Y37-Q85 PolarHBondContact O-NE2 2.84Å; C66-Q85 VanDerWaalsContact SG-CD 3.56Å; L83-Q85 VanDerWaalsContact C-N 3.3Å; L83-Q85 HydrophobicContact CB-CG 4.44Å; L83-Q85 HydrophobicContact CD2-CG 4.05Å; L83-Q85 HydrophobicContact CG-CG 3.98Å; L83-Q85 PolarHBondContact O-N 3.2Å; Q85-G87 PolarHBondContact O-N 3.39Å; Q85-C88 PolarHBondContact O-N 3.25Å |
| 86 | G | 94.3 | Very high | 86.9 | Confident | 77 Ų | 77 | 83.4 Ų | 83.4 | 79% | 0.794 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -72.2 | -16.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D84 | D84-G86 PolarHBondContact O-N 2.88Å; D84-G86 PolarHBondContact OD1-N 3.5Å |
| 87 | G | 94.9 | Very high | 84.2 | Confident | 56 Ų | 56 | 85.6 Ų | 85.6 | 58% | 0.577 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -93.7 | 11.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | D84 Q85 | D84-G87 PolarHBondContact O-N 3.35Å; Q85-G87 PolarHBondContact O-N 3.39Å |
| 88 | C | 94.7 | Very high | 81.7 | Confident | 6 Ų | 6 | 91.2 Ų | 91.2 | 4% | 0.041 | 53% | 0.532 | C | S | . | . | trans | -108.8 | 115 | -175.4 | -64.3 | 0 | 0 | 0 | 0 | 112.6 | C70 Q85 N90 | C70-C88 WeakPolarHBondContact CA-SG 3.45Å; C70-C88 HydrophobicContact CB-CB 3.68Å; C70-C88 WeakPolarHBondContact CB-SG 3.46Å; C70-C88 WeakPolarHBondContact SG-CA 3.37Å; C70-C88 WeakPolarHBondContact SG-CB 3.46Å; C70-C88 CovalentContact SG-SG 2.04Å; C70-C88 PolarHBondContact SG-SG 2.9Å; Q85-C88 PolarHBondContact O-N 3.25Å; C88-N90 VanDerWaalsContact C-N 3.3Å; C88-N90 PolarHBondContact O-N 3.41Å | ||
| 89 | D | 93.9 | Very high | 79.1 | Confident | 151 Ų | 151 | 95.9 Ų | 95.9 | 81% | 0.807 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -5.2 | 178.3 | -55.5 | -66.7 | 0 | 0 | 0 | 114.8 | ||
| 90 | N | 92.4 | Very high | 76.7 | Confident | 35 Ų | 35 | 95.9 Ų | 95.9 | 19% | 0.187 | 57% | 0.568 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -95.4 | 11.6 | -175.7 | 76.1 | -31.7 | 0 | 0 | 0 | 113.7 | W41 L42 C70 R73 C88 | W41-N90 CarbonylContact C-O 3.55Å; W41-N90 VanDerWaalsContact CA-O 3.32Å; W41-N90 WeakPolarHBondContact CA-O 3.41Å; L42-N90 HydrophobicContact CB-CB 4.34Å; L42-N90 PolarHBondContact N-O 3.43Å; L42-N90 PolarHBondContact O-ND2 2.97Å; C70-N90 VanDerWaalsContact C-ND2 3.31Å; C70-N90 WeakPolarHBondContact CB-OD1 3Å; C70-N90 PolarHBondContact O-ND2 3.27Å; C70-N90 PolarHBondContact O-OD1 2.68Å; R73-N90 PolarHBondContact NH2-OD1 3.27Å; C88-N90 VanDerWaalsContact C-N 3.3Å; C88-N90 PolarHBondContact O-N 3.41Å |
| 91 | D | 85.6 | Confident | 74 | Confident | 73 Ų | 73 | 99.8 Ų | 99.8 | 39% | 0.39 | 58% | 0.575 | S | S | . | * | trans | -86.5 | -16.1 | -179.2 | 76.2 | -38.2 | 0 | 0 | 0 | 113.4 | G40 W48 | G40-D91 WeakPolarHBondContact O-CA 3.32Å; W48-D91 VanDerWaalsContact CH2-O 3.31Å; W48-D91 WeakPolarHBondContact CH2-O 3.3Å | ||
| 92 | R | 81.4 | Confident | 71.6 | Confident | 196 Ų | 196 | 102.3 Ų | 102.3 | 74% | 0.74 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -89.2 | 118.9 | -178.7 | -166.5 | 176.6 | -175.1 | 111.7 | -1.7 | 110.8 | Q94 | R92-Q94 PolarHBondContact O-N 3.04Š|
| 93 | Q | 71.5 | Confident | 69.4 | Low | 109 Ų | 109 | 102.4 Ų | 102.4 | 51% | 0.509 | 61% | 0.608 | S | S | . | * | trans | -68.2 | 92.1 | 173.8 | -164.8 | 173.9 | 2.6 | 0 | 0 | 110.7 | W48 G95 | W48-Q93 HydrophobicContact CD2-CB 4.49Å; W48-Q93 HydrophobicContact CD2-CG 4.15Å; W48-Q93 HydrophobicContact CE3-CB 4.35Å; W48-Q93 HydrophobicContact CE3-CG 4.29Å; W48-Q93 HydrophobicContact CH2-CB 3.69Å; W48-Q93 HydrophobicContact CH2-CG 4.38Å; W48-Q93 HydrophobicContact CZ2-CB 3.83Å; W48-Q93 HydrophobicContact CZ2-CG 4.23Å; W48-Q93 HydrophobicContact CZ3-CB 3.96Å; W48-Q93 HydrophobicContact CZ3-CG 4.41Å; Q93-G95 PolarHBondContact O-N 2.59Å | ||
| 94 | Q | 58.8 | Low | 66.6 | Low | 180 Ų | 180 | 111.5 Ų | 111.5 | 84% | 0.841 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | 76 | 174 | -66.1 | 172.4 | 26.6 | 0 | 0 | 109.6 | R92 | R92-Q94 PolarHBondContact O-N 3.04Š|
| 95 | G | 50.3 | Low | 64.4 | Low | 67 Ų | 67 | 113.5 Ų | 113.5 | 69% | 0.691 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 176.1 | -13.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | Q93 G97 | Q93-G95 PolarHBondContact O-N 2.59Å; G95-G97 VanDerWaalsContact C-N 3.3Å |
| 96 | A | 44 | Very low | 61.5 | Low | 86 Ų | 86 | 114.9 Ų | 114.9 | 71% | 0.711 | 68% | 0.68 | S | S | * | * | trans | -95.2 | 24 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 97 | G | 40.6 | Very low | 59.4 | Low | 65 Ų | 65 | 116.7 Ų | 116.7 | 67% | 0.67 | 68% | 0.677 | S | S | * | * | trans | -84.8 | 109.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | G95 | G95-G97 VanDerWaalsContact C-N 3.3Š| ||
| 98 | E | 43 | Very low | 57 | Low | 185 Ų | 185 | 120.9 Ų | 120.9 | 86% | 0.864 | 69% | 0.686 | S | S | * | * | trans | -56.7 | 140.5 | 157.3 | -73.4 | -152.9 | 106.9 | 0 | 0 | 109.5 | G100 | E98-G100 PolarHBondContact O-N 2.91Š| ||
| 99 | P | 41.3 | Very low | 54.7 | Low | 139 Ų | 139 | 124.5 Ų | 124.5 | 90% | 0.903 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -74.5 | 88.3 | -178 | 30.7 | -34.8 | 0 | 0 | 0 | 110.9 | ||
| 100 | G | 45.5 | Very low | 52.5 | Low | 65 Ų | 65 | 121.7 Ų | 121.7 | 67% | 0.67 | 72% | 0.717 | S | S | * | * | trans | 123.7 | 92.8 | 157.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | E98 | E98-G100 PolarHBondContact O-N 2.91Š| ||
| 101 | R | 39.6 | Very low | 50.7 | Low | 249 Ų | 249 | 124.9 Ų | 124.9 | 94% | 0.94 | 75% | 0.748 | S | S | * | * | trans | -157 | 119.8 | 132 | -113.4 | 164.2 | -175.1 | 138 | 2.6 | 111.1 | ||||
| 102 | A | 45.5 | Very low | 49.2 | Very low | 86 Ų | 86 | 125.9 Ų | 125.9 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | trans | -70.9 | 155.2 | 161.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 103 | D | 50.5 | Low | 48.4 | Very low | 151 Ų | 151 | 120 Ų | 120 | 81% | 0.807 | 74% | 0.744 | S | S | * | * | trans | 44.2 | 103.9 | 166.4 | -72.1 | -67.7 | 0 | 0 | 0 | 118.4 | ||||
| 104 | K | 39.3 | Very low | 48.1 | Very low | 209 Ų | 209 | 121.6 Ų | 121.6 | 91% | 0.909 | 75% | 0.754 | S | S | * | * | -157.7 | 123.2 | 129.7 | -115.9 | 176.3 | -178.9 | -171.1 | 0 | 111.7 | G106 | K104-G106 PolarHBondContact O-N 2.95Š| |||
| 105 | D | 49.8 | Very low | 48.8 | Very low | 169 Ų | 169 | 120.9 Ų | 120.9 | 90% | 0.904 | 75% | 0.745 | S | S | * | * | trans | -55.8 | 128.1 | 164.2 | -69.5 | -67.5 | 0 | 0 | 0 | 110.5 | ||||
| 106 | G | 35.7 | Very low | 50.1 | Low | 59 Ų | 59 | 120 Ų | 120 | 61% | 0.608 | 73% | 0.726 | S | S | * | * | trans | -166.1 | 127.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | K104 | K104-G106 PolarHBondContact O-N 2.95Š| ||
| 107 | P | 50.2 | Low | 52 | Low | 114 Ų | 114 | 119.5 Ų | 119.5 | 74% | 0.74 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -66.2 | -179.7 | 161.1 | 33.5 | -34.5 | 0 | 0 | 0 | 109.3 | ||
| 108 | D | 44.1 | Very low | 54 | Low | 144 Ų | 144 | 123.4 Ų | 123.4 | 77% | 0.77 | 72% | 0.715 | S | S | * | * | trans | 77.7 | 37.8 | 172.1 | -41.3 | -27.7 | 0 | 0 | 0 | 115.2 | ||||
| 109 | G | 46.7 | Very low | 55.9 | Low | 82 Ų | 82 | 120.2 Ų | 120.2 | 85% | 0.845 | 70% | 0.703 | S | S | * | * | trans | -88.3 | 1.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | A111 | G109-A111 PolarHBondContact O-N 2.78Š| ||
| 110 | S | 47.6 | Very low | 58.1 | Low | 93 Ų | 93 | 118.2 Ų | 118.2 | 65% | 0.65 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -75.6 | 122 | 172.9 | 53.3 | 0 | 0 | 0 | 0 | 109.3 | V112 | S110-V112 WeakPolarHBondContact O-CG2 3.35Å; S110-V112 PolarHBondContact O-N 3.24Å |
| 111 | A | 54.4 | Low | 60.3 | Low | 101 Ų | 101 | 120 Ų | 120 | 84% | 0.835 | 68% | 0.681 | S | S | * | * | trans | -54.9 | 100.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | G109 P113 | G109-A111 PolarHBondContact O-N 2.78Å; A111-P113 WeakPolarHBondContact O-CD 3.2Å; A111-P113 VanDerWaalsContact O-N 3.13Å | ||
| 112 | V | 54.3 | Low | 62.8 | Low | 95 Ų | 95 | 109.8 Ų | 109.8 | 58% | 0.576 | 65% | 0.653 | S | S | * | * | trans | -66.7 | 109.1 | -176.3 | 177.3 | 0 | 0 | 0 | 0 | 108 | S110 V116 | S110-V112 WeakPolarHBondContact O-CG2 3.35Å; S110-V112 PolarHBondContact O-N 3.24Å; V112-V116 HydrophobicContact CG1-CB 3.56Å; V112-V116 HydrophobicContact CG1-CG1 3.83Å; V112-V116 HydrophobicContact CG1-CG2 3.72Å | ||
| 113 | P | 63.2 | Low | 64.9 | Low | 72 Ų | 72 | 109.1 Ų | 109.1 | 47% | 0.468 | 64% | 0.643 | S | S | . | * | trans | -67.7 | 150 | -176.2 | 27.9 | -33.2 | 0 | 0 | 0 | 109.8 | A111 Y115 V116 | A111-P113 WeakPolarHBondContact O-CD 3.2Å; A111-P113 VanDerWaalsContact O-N 3.13Å; P113-Y115 HydrophobicContact CB-CD2 4.16Å; P113-Y115 PolarHBondContact O-N 3.47Å; P113-V116 HydrophobicContact CG-CG2 4.02Å; P113-V116 PolarHBondContact O-N 2.84Å | ||
| 114 | I | 66 | Low | 67 | Low | 142 Ų | 142 | 105.2 Ų | 105.2 | 73% | 0.728 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.4 | -19.2 | -175.7 | -65.3 | 169.2 | 0 | 0 | 0 | 113 | P117 F118 | I114-P117 WeakPolarHBondContact O-CD 3.35Å; I114-F118 WeakPolarHBondContact O-CD2 3.47Å |
| 115 | Y | 73.3 | Confident | 69.6 | Low | 166 Ų | 166 | 101.6 Ų | 101.6 | 65% | 0.651 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | -21.4 | 175.3 | -51.5 | -64.3 | 0 | 0 | 0 | 115.3 | P113 F118 L119 | P113-Y115 HydrophobicContact CB-CD2 4.16Å; P113-Y115 PolarHBondContact O-N 3.47Å; Y115-F118 CarbonylContact O-C 3.58Å; Y115-F118 WeakPolarHBondContact O-CA 3.26Å; Y115-F118 WeakPolarHBondContact O-CB 3.42Å; Y115-F118 PolarHBondContact O-N 2.79Å; Y115-L119 WeakPolarHBondContact O-CG 3.47Å; Y115-L119 PolarHBondContact O-N 2.88Å |
| 116 | V | 77.7 | Confident | 71.7 | Confident | 47 Ų | 47 | 97.3 Ų | 97.3 | 29% | 0.285 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -61.1 | -43.9 | -173.4 | 169.5 | 0 | 0 | 0 | 0 | 113.7 | V112 P113 F118 L119 I120 | V112-V116 HydrophobicContact CG1-CB 3.56Å; V112-V116 HydrophobicContact CG1-CG1 3.83Å; V112-V116 HydrophobicContact CG1-CG2 3.72Å; P113-V116 HydrophobicContact CG-CG2 4.02Å; P113-V116 PolarHBondContact O-N 2.84Å; V116-F118 VanDerWaalsContact C-N 3.29Å; V116-F118 PolarHBondContact O-N 2.72Å; V116-L119 PolarHBondContact O-N 2.99Å; V116-I120 HydrophobicContact CG1-CD1 3.78Å; V116-I120 HydrophobicContact CG1-CG1 4.42Å; V116-I120 WeakPolarHBondContact O-CG1 3.4Å; V116-I120 PolarHBondContact O-N 2.97Å |
| 117 | P | 83.6 | Confident | 74.2 | Confident | 76 Ų | 76 | 97.1 Ų | 97.1 | 49% | 0.494 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -57.2 | -39.5 | 171 | -26.6 | 35.8 | 0 | 0 | 0 | 113.2 | I114 I120 V121 | I114-P117 WeakPolarHBondContact O-CD 3.35Å; P117-I120 PolarHBondContact O-N 2.82Å; P117-V121 WeakPolarHBondContact O-CG2 3.33Å; P117-V121 PolarHBondContact O-N 3.47Å |
| 118 | F | 82.8 | Confident | 76.4 | Confident | 148 Ų | 148 | 98.3 Ų | 98.3 | 65% | 0.649 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -69.3 | -35.4 | 176.9 | -63.4 | -82.1 | 0 | 0 | 0 | 112.5 | I114 Y115 V116 G122 | I114-F118 WeakPolarHBondContact O-CD2 3.47Å; Y115-F118 CarbonylContact O-C 3.58Å; Y115-F118 WeakPolarHBondContact O-CA 3.26Å; Y115-F118 WeakPolarHBondContact O-CB 3.42Å; Y115-F118 PolarHBondContact O-N 2.79Å; V116-F118 VanDerWaalsContact C-N 3.29Å; V116-F118 PolarHBondContact O-N 2.72Å; F118-G122 WeakPolarHBondContact O-CA 3.18Å; F118-G122 PolarHBondContact O-N 3.05Å |
| 119 | L | 82.4 | Confident | 78.8 | Confident | 117 Ų | 117 | 95.9 Ų | 95.9 | 61% | 0.613 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -68.2 | -39.3 | 173.4 | -67.6 | 177.1 | 0 | 0 | 0 | 111.8 | Y115 V116 S123 | Y115-L119 WeakPolarHBondContact O-CG 3.47Å; Y115-L119 PolarHBondContact O-N 2.88Å; V116-L119 PolarHBondContact O-N 2.99Å; L119-S123 WeakPolarHBondContact O-CB 3.09Å; L119-S123 PolarHBondContact O-N 3.4Å; L119-S123 PolarHBondContact O-OG 3.4Å |
| 120 | I | 87.2 | Confident | 81 | Confident | 98 Ų | 98 | 96.6 Ų | 96.6 | 50% | 0.503 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.4 | -52.8 | 174 | -67.6 | 159.8 | 0 | 0 | 0 | 110 | V116 P117 G122 S123 V124 | V116-I120 HydrophobicContact CG1-CD1 3.78Å; V116-I120 HydrophobicContact CG1-CG1 4.42Å; V116-I120 WeakPolarHBondContact O-CG1 3.4Å; V116-I120 PolarHBondContact O-N 2.97Å; P117-I120 PolarHBondContact O-N 2.82Å; I120-G122 PolarHBondContact O-N 2.92Å; I120-S123 PolarHBondContact O-N 3.34Å; I120-S123 PolarHBondContact O-OG 3.35Å; I120-S123 VanDerWaalsContact O-OG 3.05Å; I120-V124 VanDerWaalsContact O-CB 3.32Å; I120-V124 WeakPolarHBondContact O-CB 3.4Å; I120-V124 WeakPolarHBondContact O-CG2 3Å; I120-V124 PolarHBondContact O-N 3.48Å |
| 121 | V | 93.1 | Very high | 83.2 | Confident | 103 Ų | 103 | 97 Ų | 97 | 62% | 0.624 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.7 | -43 | 180 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | P117 F125 | P117-V121 WeakPolarHBondContact O-CG2 3.33Å; P117-V121 PolarHBondContact O-N 3.47Å; V121-F125 VanDerWaalsContact O-CB 3.31Å; V121-F125 WeakPolarHBondContact O-CB 3.39Å; V121-F125 PolarHBondContact O-N 3.44Å |
| 122 | G | 91.4 | Very high | 85 | Confident | 33 Ų | 33 | 94.2 Ų | 94.2 | 34% | 0.34 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.7 | -44.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | F118 I120 F125 V126 | F118-G122 WeakPolarHBondContact O-CA 3.18Å; F118-G122 PolarHBondContact O-N 3.05Å; I120-G122 PolarHBondContact O-N 2.92Å; G122-F125 PolarHBondContact O-N 3.18Å; G122-V126 WeakPolarHBondContact O-CG2 3.45Å; G122-V126 PolarHBondContact O-N 3.47Å |
| 123 | S | 89.2 | Confident | 86.7 | Confident | 73 Ų | 73 | 93 Ų | 93 | 51% | 0.51 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.4 | -41.5 | 177.2 | 58.9 | 0 | 0 | 0 | 0 | 112.2 | L119 I120 V126 A127 | L119-S123 WeakPolarHBondContact O-CB 3.09Å; L119-S123 PolarHBondContact O-N 3.4Å; L119-S123 PolarHBondContact O-OG 3.4Å; I120-S123 PolarHBondContact O-N 3.34Å; I120-S123 PolarHBondContact O-OG 3.35Å; I120-S123 VanDerWaalsContact O-OG 3.05Å; S123-V126 PolarHBondContact O-N 3.3Å; S123-A127 WeakPolarHBondContact O-CB 2.95Å; S123-A127 PolarHBondContact O-N 3.35Å |
| 124 | V | 94.3 | Very high | 87.8 | Confident | 69 Ų | 69 | 95 Ų | 95 | 42% | 0.418 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 174.4 | 169.4 | 0 | 0 | 0 | 0 | 111.1 | I120 A127 F128 | I120-V124 VanDerWaalsContact O-CB 3.32Å; I120-V124 WeakPolarHBondContact O-CB 3.4Å; I120-V124 WeakPolarHBondContact O-CG2 3Å; I120-V124 PolarHBondContact O-N 3.48Å; V124-A127 PolarHBondContact O-N 2.81Å; V124-F128 HydrophobicContact CG1-CD2 3.75Å; V124-F128 HydrophobicContact CG1-CE2 3.39Å; V124-F128 HydrophobicContact CG1-CZ 4.41Å; V124-F128 WeakPolarHBondContact O-CD2 3.4Å; V124-F128 PolarHBondContact O-N 2.64Å |
| 125 | F | 94.5 | Very high | 89.1 | Confident | 132 Ų | 132 | 92.1 Ų | 92.1 | 58% | 0.579 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.2 | -50.8 | 175.2 | 177.7 | -102 | 0 | 0 | 0 | 111.8 | V121 G122 A127 F128 I129 | V121-F125 VanDerWaalsContact O-CB 3.31Å; V121-F125 WeakPolarHBondContact O-CB 3.39Å; V121-F125 PolarHBondContact O-N 3.44Å; G122-F125 PolarHBondContact O-N 3.18Å; F125-A127 VanDerWaalsContact C-N 3.32Å; F125-A127 PolarHBondContact O-N 2.82Å; F125-F128 PolarHBondContact O-N 2.04Å; F125-I129 HydrophobicContact CD1-CG1 4.39Å; F125-I129 HydrophobicContact CE1-CG1 4.03Å; F125-I129 HydrophobicContact CE2-CD1 4.29Å; F125-I129 HydrophobicContact CE2-CG1 4.36Å; F125-I129 HydrophobicContact CZ-CD1 4.09Å; F125-I129 HydrophobicContact CZ-CG1 4.01Å; F125-I129 WeakPolarHBondContact O-CG1 3.18Å; F125-I129 PolarHBondContact O-N 2.77Å |
| 126 | V | 93.1 | Very high | 89.8 | Confident | 80 Ų | 80 | 86.7 Ų | 86.7 | 49% | 0.485 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61 | -40.1 | 178.1 | 171.7 | 0 | 0 | 0 | 0 | 111.6 | G122 S123 F128 I129 I130 | G122-V126 WeakPolarHBondContact O-CG2 3.45Å; G122-V126 PolarHBondContact O-N 3.47Å; S123-V126 PolarHBondContact O-N 3.3Å; V126-F128 PolarHBondContact O-N 3.25Å; V126-I129 PolarHBondContact O-N 2.03Å; V126-I130 HydrophobicContact CG1-CD1 3.79Å; V126-I130 HydrophobicContact CG1-CG1 4.4Å; V126-I130 WeakPolarHBondContact O-CG1 3.49Å; V126-I130 PolarHBondContact O-N 2.87Å |
| 127 | A | 90 | Very high | 90.2 | Very high | 54 Ų | 54 | 86.8 Ų | 86.8 | 45% | 0.446 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.5 | -42.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S123 V124 F125 I130 L131 | S123-A127 WeakPolarHBondContact O-CB 2.95Å; S123-A127 PolarHBondContact O-N 3.35Å; V124-A127 PolarHBondContact O-N 2.81Å; F125-A127 VanDerWaalsContact C-N 3.32Å; F125-A127 PolarHBondContact O-N 2.82Å; A127-I130 PolarHBondContact O-N 3.24Å; A127-L131 VanDerWaalsContact O-CB 3.32Å; A127-L131 WeakPolarHBondContact O-CB 3.43Å; A127-L131 PolarHBondContact O-N 3.48Å |
| 128 | F | 95.2 | Very high | 90.1 | Very high | 140 Ų | 140 | 86.7 Ų | 86.7 | 61% | 0.614 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.5 | -38.8 | 175 | -76 | -55.9 | 0 | 0 | 0 | 113 | V124 F125 V126 L131 G132 | V124-F128 HydrophobicContact CG1-CD2 3.75Å; V124-F128 HydrophobicContact CG1-CE2 3.39Å; V124-F128 HydrophobicContact CG1-CZ 4.41Å; V124-F128 WeakPolarHBondContact O-CD2 3.4Å; V124-F128 PolarHBondContact O-N 2.64Å; F125-F128 PolarHBondContact O-N 2.04Å; V126-F128 PolarHBondContact O-N 3.25Å; F128-L131 PolarHBondContact O-N 2.81Å; F128-G132 PolarHBondContact O-N 3.18Å |
| 129 | I | 94.3 | Very high | 90.2 | Very high | 92 Ų | 92 | 82.5 Ų | 82.5 | 47% | 0.472 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.1 | -43 | 175.7 | -63.3 | -59.8 | 0 | 0 | 0 | 111 | F125 V126 S133 | F125-I129 HydrophobicContact CD1-CG1 4.39Å; F125-I129 HydrophobicContact CE1-CG1 4.03Å; F125-I129 HydrophobicContact CE2-CD1 4.29Å; F125-I129 HydrophobicContact CE2-CG1 4.36Å; F125-I129 HydrophobicContact CZ-CD1 4.09Å; F125-I129 HydrophobicContact CZ-CG1 4.01Å; F125-I129 WeakPolarHBondContact O-CG1 3.18Å; F125-I129 PolarHBondContact O-N 2.77Å; V126-I129 PolarHBondContact O-N 2.03Å; I129-S133 WeakPolarHBondContact O-CB 3.03Å; I129-S133 PolarHBondContact O-N 2.86Å; I129-S133 PolarHBondContact O-OG 2.9Å |
| 130 | I | 92.9 | Very high | 90 | Very high | 97 Ų | 97 | 80.8 Ų | 80.8 | 50% | 0.497 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.9 | -51 | 176 | -66.9 | 167.7 | 0 | 0 | 0 | 110.5 | V126 A127 S133 L134 | V126-I130 HydrophobicContact CG1-CD1 3.79Å; V126-I130 HydrophobicContact CG1-CG1 4.4Å; V126-I130 WeakPolarHBondContact O-CG1 3.49Å; V126-I130 PolarHBondContact O-N 2.87Å; A127-I130 PolarHBondContact O-N 3.24Å; I130-S133 PolarHBondContact O-N 3.35Å; I130-L134 HydrophobicContact CG2-CD1 4.03Å; I130-L134 HydrophobicContact CG2-CG 4.49Å; I130-L134 WeakPolarHBondContact O-CG 3.4Å; I130-L134 PolarHBondContact O-N 2.88Å |
| 131 | L | 93.3 | Very high | 89.2 | Confident | 102 Ų | 102 | 85.1 Ų | 85.1 | 53% | 0.534 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.7 | -45.7 | -178.5 | -177.4 | 60.6 | 0 | 0 | 0 | 112 | A127 F128 S133 L134 V135 | A127-L131 VanDerWaalsContact O-CB 3.32Å; A127-L131 WeakPolarHBondContact O-CB 3.43Å; A127-L131 PolarHBondContact O-N 3.48Å; F128-L131 PolarHBondContact O-N 2.81Å; L131-S133 VanDerWaalsContact C-N 3.33Å; L131-S133 PolarHBondContact O-N 3.04Å; L131-L134 PolarHBondContact O-N 2.93Å; L131-V135 WeakPolarHBondContact O-CG2 3.44Å; L131-V135 PolarHBondContact O-N 3.48Å |
| 132 | G | 92.7 | Very high | 88 | Confident | 42 Ų | 42 | 85.1 Ų | 85.1 | 43% | 0.433 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.1 | -40.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F128 V135 A136 | F128-G132 PolarHBondContact O-N 3.18Å; G132-V135 PolarHBondContact O-N 3.1Å; G132-A136 WeakPolarHBondContact O-CB 3.32Å; G132-A136 PolarHBondContact O-N 3.48Å |
| 133 | S | 89.7 | Confident | 86.5 | Confident | 71 Ų | 71 | 90.1 Ų | 90.1 | 50% | 0.497 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.2 | -38 | 175.9 | -61.1 | 0 | 0 | 0 | 0 | 112.7 | I129 I130 L131 A137 | I129-S133 WeakPolarHBondContact O-CB 3.03Å; I129-S133 PolarHBondContact O-N 2.86Å; I129-S133 PolarHBondContact O-OG 2.9Å; I130-S133 PolarHBondContact O-N 3.35Å; L131-S133 VanDerWaalsContact C-N 3.33Å; L131-S133 PolarHBondContact O-N 3.04Å; S133-A137 VanDerWaalsContact O-CB 3.24Å; S133-A137 WeakPolarHBondContact O-CB 3.4Å; S133-A137 PolarHBondContact O-N 3.03Å |
| 134 | L | 87.8 | Confident | 84.6 | Confident | 112 Ų | 112 | 95.2 Ų | 95.2 | 59% | 0.586 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.2 | -43.2 | 174.8 | -72.8 | 171.7 | 0 | 0 | 0 | 111.7 | I130 L131 A137 C138 | I130-L134 HydrophobicContact CG2-CD1 4.03Å; I130-L134 HydrophobicContact CG2-CG 4.49Å; I130-L134 WeakPolarHBondContact O-CG 3.4Å; I130-L134 PolarHBondContact O-N 2.88Å; L131-L134 PolarHBondContact O-N 2.93Å; L134-A137 PolarHBondContact O-N 3.41Å; L134-C138 VanDerWaalsContact O-CB 3.25Å; L134-C138 WeakPolarHBondContact O-CB 3.37Å; L134-C138 PolarHBondContact O-N 2.04Å |
| 135 | V | 92.4 | Very high | 82.6 | Confident | 82 Ų | 82 | 96.9 Ų | 96.9 | 50% | 0.497 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.7 | -48.5 | 174.4 | 173.3 | 0 | 0 | 0 | 0 | 110.3 | L131 G132 A137 C138 C139 | L131-V135 WeakPolarHBondContact O-CG2 3.44Å; L131-V135 PolarHBondContact O-N 3.48Å; G132-V135 PolarHBondContact O-N 3.1Å; V135-A137 PolarHBondContact O-N 2.96Å; V135-C138 PolarHBondContact O-N 2.85Å; V135-C139 WeakPolarHBondContact O-CB 3.11Å; V135-C139 PolarHBondContact O-N 3.41Å; V135-C139 PolarHBondContact O-SG 2.99Å |
| 136 | A | 88.3 | Confident | 80.4 | Confident | 53 Ų | 53 | 98.5 Ų | 98.5 | 44% | 0.438 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -58.7 | -45.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | G132 C139 C140 | G132-A136 WeakPolarHBondContact O-CB 3.32Å; G132-A136 PolarHBondContact O-N 3.48Å; A136-C139 PolarHBondContact O-N 2.92Å; A136-C140 WeakPolarHBondContact O-CB 3.05Å; A136-C140 PolarHBondContact O-N 2.89Å; A136-C140 PolarHBondContact O-SG 3.49Å |
| 137 | A | 85.4 | Confident | 78.1 | Confident | 48 Ų | 48 | 102 Ų | 102 | 40% | 0.397 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.6 | -41.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S133 L134 V135 C140 R141 | S133-A137 VanDerWaalsContact O-CB 3.24Å; S133-A137 WeakPolarHBondContact O-CB 3.4Å; S133-A137 PolarHBondContact O-N 3.03Å; L134-A137 PolarHBondContact O-N 3.41Å; V135-A137 PolarHBondContact O-N 2.96Å; A137-C140 PolarHBondContact O-N 2.86Å; A137-R141 WeakPolarHBondContact O-CB 3.5Å; A137-R141 WeakPolarHBondContact O-CG 3.37Å; A137-R141 PolarHBondContact O-N 3.2Å |
| 138 | C | 81.6 | Confident | 76 | Confident | 75 Ų | 75 | 104.1 Ų | 104.1 | 51% | 0.507 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.2 | -52.2 | 175 | -172.5 | 0 | 0 | 0 | 0 | 110.8 | L134 V135 C140 R141 C142 | L134-C138 VanDerWaalsContact O-CB 3.25Å; L134-C138 WeakPolarHBondContact O-CB 3.37Å; L134-C138 PolarHBondContact O-N 2.04Å; V135-C138 PolarHBondContact O-N 2.85Å; C138-C140 PolarHBondContact O-N 2.87Å; C138-R141 PolarHBondContact O-N 3.45Å; C138-C142 PolarHBondContact O-N 3.19Å; C138-C142 PolarHBondContact O-SG 3.18Å; C138-C142 VanDerWaalsContact O-SG 3.35Å |
| 139 | C | 84.3 | Confident | 73.7 | Confident | 59 Ų | 59 | 102.7 Ų | 102.7 | 40% | 0.399 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -56.8 | -45.1 | 175.6 | -67.7 | 0 | 0 | 0 | 0 | 111.9 | V135 A136 R141 C142 L143 | V135-C139 WeakPolarHBondContact O-CB 3.11Å; V135-C139 PolarHBondContact O-N 3.41Å; V135-C139 PolarHBondContact O-SG 2.99Å; A136-C139 PolarHBondContact O-N 2.92Å; C139-R141 VanDerWaalsContact C-N 3.28Å; C139-R141 PolarHBondContact O-N 2.04Å; C139-C142 PolarHBondContact O-N 3.2Å; C139-L143 WeakPolarHBondContact O-CB 3.44Å; C139-L143 VanDerWaalsContact O-CG 3.25Å; C139-L143 WeakPolarHBondContact O-CG 3.49Å; C139-L143 PolarHBondContact O-N 3.41Å |
| 140 | C | 79.5 | Confident | 71.3 | Confident | 82 Ų | 82 | 106.4 Ų | 106.4 | 55% | 0.554 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -68.2 | -21.7 | 176.6 | -69.8 | 0 | 0 | 0 | 0 | 114.1 | A136 A137 C138 R144 | A136-C140 WeakPolarHBondContact O-CB 3.05Å; A136-C140 PolarHBondContact O-N 2.89Å; A136-C140 PolarHBondContact O-SG 3.49Å; A137-C140 PolarHBondContact O-N 2.86Å; C138-C140 PolarHBondContact O-N 2.87Å; C140-R144 WeakPolarHBondContact O-CB 3.43Å; C140-R144 VanDerWaalsContact O-CG 3.29Å; C140-R144 WeakPolarHBondContact O-CG 3.45Å; C140-R144 PolarHBondContact O-N 3.44Å |
| 141 | R | 70 | Confident | 69.1 | Low | 188 Ų | 188 | 109.4 Ų | 109.4 | 71% | 0.709 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -85.3 | -34.7 | 174.4 | -68.4 | -73.8 | 158.6 | 84.4 | 2.7 | 112 | A137 C138 C139 | A137-R141 WeakPolarHBondContact O-CB 3.5Å; A137-R141 WeakPolarHBondContact O-CG 3.37Å; A137-R141 PolarHBondContact O-N 3.2Å; C138-R141 PolarHBondContact O-N 3.45Å; C139-R141 VanDerWaalsContact C-N 3.28Å; C139-R141 PolarHBondContact O-N 2.04Å |
| 142 | C | 67.8 | Low | 66.8 | Low | 104 Ų | 104 | 110.6 Ų | 110.6 | 70% | 0.703 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -74.7 | -32.7 | 172.4 | -63.3 | 0 | 0 | 0 | 0 | 112.8 | C138 C139 | C138-C142 PolarHBondContact O-N 3.19Å; C138-C142 PolarHBondContact O-SG 3.18Å; C138-C142 VanDerWaalsContact O-SG 3.35Å; C139-C142 PolarHBondContact O-N 3.2Å |
| 143 | L | 59.7 | Low | 64.2 | Low | 138 Ų | 138 | 119.2 Ų | 119.2 | 72% | 0.723 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -94.8 | -2.2 | -180 | -65.2 | 174.8 | 0 | 0 | 0 | 114.2 | C139 P145 | C139-L143 WeakPolarHBondContact O-CB 3.44Å; C139-L143 VanDerWaalsContact O-CG 3.25Å; C139-L143 WeakPolarHBondContact O-CG 3.49Å; C139-L143 PolarHBondContact O-N 3.41Å; L143-P145 WeakPolarHBondContact O-CD 3.42Å; L143-P145 VanDerWaalsContact O-N 3.14Å |
| 144 | R | 50.7 | Low | 61.7 | Low | 180 Ų | 180 | 119.7 Ų | 119.7 | 68% | 0.679 | 64% | 0.642 | S | S | * | * | trans | -70 | 101.3 | 164.8 | -102.5 | -79.9 | 179 | 118.7 | -2 | 106.6 | C140 | C140-R144 WeakPolarHBondContact O-CB 3.43Å; C140-R144 VanDerWaalsContact O-CG 3.29Å; C140-R144 WeakPolarHBondContact O-CG 3.45Å; C140-R144 PolarHBondContact O-N 3.44Å | ||
| 145 | P | 51.1 | Low | 59.9 | Low | 104 Ų | 104 | 121 Ų | 121 | 68% | 0.675 | 66% | 0.658 | S | S | * | * | trans | -65.4 | 160.7 | 171.2 | -4.8 | 26.3 | 0 | 0 | 0 | 106.2 | L143 Q147 | L143-P145 WeakPolarHBondContact O-CD 3.42Å; L143-P145 VanDerWaalsContact O-N 3.14Å; P145-Q147 PolarHBondContact O-N 2.87Å | ||
| 146 | K | 48.7 | Very low | 57.3 | Low | 166 Ų | 166 | 120.7 Ų | 120.7 | 72% | 0.722 | 67% | 0.671 | S | S | * | * | trans | -64 | 87.8 | 172.5 | -170.1 | -178 | 175.6 | -102.5 | 0 | 108.7 | D148 | K146-D148 IonicContact NZ-OD1 2.64Å; K146-D148 PolarHBondContact NZ-OD1 3.03Å; K146-D148 IonicContact NZ-OD2 2.85Å; K146-D148 PolarHBondContact NZ-OD2 3.38Å; K146-D148 PolarHBondContact O-N 2.94Å | ||
| 147 | Q | 45.1 | Very low | 55.3 | Low | 154 Ų | 154 | 121.4 Ų | 121.4 | 72% | 0.72 | 68% | 0.683 | S | S | * | * | trans | -75 | 76.2 | 173.7 | -151.7 | 175.8 | 21 | 0 | 0 | 106.2 | P145 P149 | P145-Q147 PolarHBondContact O-N 2.87Å; Q147-P149 WeakPolarHBondContact O-CD 3.31Å | ||
| 148 | D | 46 | Very low | 52.9 | Low | 97 Ų | 97 | 126.3 Ų | 126.3 | 52% | 0.519 | 70% | 0.703 | S | S | . | * | trans | -49.7 | 122.4 | 156 | -74.6 | -57.2 | 0 | 0 | 0 | 105.4 | K146 Q150 | K146-D148 IonicContact NZ-OD1 2.64Å; K146-D148 PolarHBondContact NZ-OD1 3.03Å; K146-D148 IonicContact NZ-OD2 2.85Å; K146-D148 PolarHBondContact NZ-OD2 3.38Å; K146-D148 PolarHBondContact O-N 2.94Å; D148-Q150 VanDerWaalsContact C-N 3.26Å; D148-Q150 PolarHBondContact O-N 3.32Å | ||
| 149 | P | 46.5 | Very low | 50.8 | Low | 110 Ų | 110 | 133.3 Ų | 133.3 | 71% | 0.714 | 72% | 0.719 | S | S | * | * | trans | -70.7 | 86.8 | -170 | 26.2 | -33.9 | 0 | 0 | 0 | 109.8 | Q147 Q151 | Q147-P149 WeakPolarHBondContact O-CD 3.31Å; P149-Q151 PolarHBondContact O-N 2.8Å | ||
| 150 | Q | 43.5 | Very low | 48.7 | Very low | 171 Ų | 171 | 138.6 Ų | 138.6 | 80% | 0.799 | 74% | 0.742 | S | S | * | * | trans | -66.1 | 74.9 | 163.9 | -93.5 | -73.9 | -73.1 | 0 | 0 | 108.7 | D148 S152 | D148-Q150 VanDerWaalsContact C-N 3.26Å; D148-Q150 PolarHBondContact O-N 3.32Å; Q150-S152 PolarHBondContact O-N 3.3Å | ||
| 151 | Q | 47.7 | Very low | 46.8 | Very low | 159 Ų | 159 | 142.1 Ų | 142.1 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | trans | 16.5 | 78.7 | 135.2 | -164.1 | 159.3 | 2.5 | 0 | 0 | 114.2 | P149 R153 | P149-Q151 PolarHBondContact O-N 2.8Å; Q151-R153 PolarHBondContact O-N 3.41Å | ||
| 152 | S | 44.3 | Very low | 45.3 | Very low | 127 Ų | 127 | 140.7 Ų | 140.7 | 89% | 0.888 | 75% | 0.754 | S | S | * | * | trans | -62.8 | 82 | 166.5 | -59.1 | 0 | 0 | 0 | 0 | 109.6 | Q150 | Q150-S152 PolarHBondContact O-N 3.3Š| ||
| 153 | R | 38.5 | Very low | 43.7 | Very low | 223 Ų | 223 | 141.9 Ų | 141.9 | 84% | 0.842 | 76% | 0.758 | S | S | * | * | trans | -96.6 | 102.2 | 163.5 | -166.5 | 161.8 | -173.5 | 80.2 | -0.9 | 107.6 | Q151 | Q151-R153 PolarHBondContact O-N 3.41Š| ||
| 154 | A | 37.6 | Very low | 42.9 | Very low | 81 Ų | 81 | 142.7 Ų | 142.7 | 67% | 0.669 | 76% | 0.761 | S | S | * | * | trans | -55.6 | 155.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | G156 | A154-G156 PolarHBondContact O-N 3.35Š| ||
| 155 | P | 49.9 | Very low | 42.8 | Very low | 141 Ų | 141 | 139.1 Ų | 139.1 | 92% | 0.916 | 76% | 0.761 | S | S | * | * | trans | -70.9 | 102.2 | -176.4 | 28.9 | -34.6 | 0 | 0 | 0 | 111 | ||||
| 156 | G | 37.4 | Very low | 41.9 | Very low | 75 Ų | 75 | 142.8 Ų | 142.8 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | -104.8 | 107.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | A154 | A154-G156 PolarHBondContact O-N 3.35Š| ||
| 157 | G | 46.3 | Very low | 41.7 | Very low | 68 Ų | 68 | 142.2 Ų | 142.2 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | trans | -74 | 147.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 158 | N | 34.6 | Very low | 41.6 | Very low | 151 Ų | 151 | 140.4 Ų | 140.4 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | trans | -167.2 | 124.9 | 140.7 | -101.2 | -25.8 | 0 | 0 | 0 | 111.2 | ||||
| 159 | R | 37.4 | Very low | 41 | Very low | 221 Ų | 221 | 141 Ų | 141 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | trans | 30.9 | 119 | 149.1 | -53.2 | -177.8 | 179.8 | -142.8 | -0.9 | 118.6 | ||||
| 160 | L | 41.3 | Very low | 40.5 | Very low | 170 Ų | 170 | 141 Ų | 141 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | -167.8 | 160.5 | 95.7 | -98 | 157.1 | 0 | 0 | 0 | 111.1 | |||||
| 161 | M | 39.6 | Very low | 40.2 | Very low | 156 Ų | 156 | 138.3 Ų | 138.3 | 77% | 0.768 | 80% | 0.797 | S | S | * | * | trans | -70 | 153 | 178 | -66.5 | 157.6 | 60.2 | 0 | 0 | 110.7 | ||||
| 162 | E | 37.3 | Very low | 39.6 | Very low | 159 Ų | 159 | 137.7 Ų | 137.7 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | 162.9 | 133.2 | 96.8 | -158.9 | 131.3 | 127.7 | 0 | 0 | 113.1 | |||||
| 163 | T | 34.3 | Very low | 39.1 | Very low | 128 Ų | 128 | 137 Ų | 137 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | 66.1 | 111.7 | 150.3 | -59.6 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 164 | I | 42.8 | Very low | 39.2 | Very low | 156 Ų | 156 | 138.3 Ų | 138.3 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | trans | -81.6 | 157.2 | 151.8 | -66.8 | 164 | 0 | 0 | 0 | 108.2 | ||||
| 165 | P | 49.2 | Very low | 39.1 | Very low | 105 Ų | 105 | 137.9 Ų | 137.9 | 68% | 0.682 | 81% | 0.809 | S | S | * | * | cis | -127 | -177.1 | 1.6 | 28.2 | -6.3 | 0 | 0 | 0 | 114.4 | ||||
| 166 | M | 33 | Very low | 38.2 | Very low | 180 Ų | 180 | 137 Ų | 137 | 89% | 0.887 | 81% | 0.806 | S | S | * | * | -169.7 | 131.5 | 120.4 | -90.9 | -107 | -88.7 | 0 | 0 | 111.3 | |||||
| 167 | I | 44 | Very low | 38.3 | Very low | 154 Ų | 154 | 138.3 Ų | 138.3 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | -120 | 143 | 167.2 | -47.7 | 167 | 0 | 0 | 0 | 105.4 | ||||
| 168 | P | 43.7 | Very low | 37.9 | Very low | 116 Ų | 116 | 140.4 Ų | 140.4 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | -144.6 | 134.1 | 107.1 | 30.6 | -12.5 | 0 | 0 | 0 | 115.6 | |||||
| 169 | S | 33.4 | Very low | 38 | Very low | 111 Ų | 111 | 144.7 Ų | 144.7 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | 41.3 | 114.5 | 128.9 | -48.5 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 170 | A | 34.8 | Very low | 38.2 | Very low | 108 Ų | 108 | 142.8 Ų | 142.8 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | trans | -144.5 | 111.7 | 141.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 171 | S | 36.4 | Very low | 38 | Very low | 115 Ų | 115 | 139.4 Ų | 139.4 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -100.2 | 124.9 | 179.5 | 53.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 172 | T | 35.5 | Very low | 38.3 | Very low | 147 Ų | 147 | 136.7 Ų | 136.7 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | trans | -138.9 | 113.6 | 160.2 | 53.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 173 | S | 35.2 | Very low | 38.4 | Very low | 111 Ų | 111 | 135.7 Ų | 135.7 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | trans | -99.2 | 146.6 | 169.5 | 50.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 174 | R | 40.5 | Very low | 38.6 | Very low | 251 Ų | 251 | 134.2 Ų | 134.2 | 95% | 0.947 | 81% | 0.805 | S | S | * | * | trans | 160.9 | 109 | 158.8 | -94.1 | 158.2 | 175.3 | -173.4 | -2.1 | 107.3 | ||||
| 175 | G | 34.9 | Very low | 38.3 | Very low | 73 Ų | 73 | 131.5 Ų | 131.5 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | 106.2 | 149.6 | 87.3 | 0 | 0 | 0 | 0 | 0 | 109 | |||||
| 176 | S | 31.8 | Very low | 37.5 | Very low | 122 Ų | 122 | 131.9 Ų | 131.9 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | cis | -156.6 | 163.1 | 2.4 | -70.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 177 | S | 38.3 | Very low | 37.7 | Very low | 102 Ų | 102 | 128 Ų | 128 | 71% | 0.713 | 80% | 0.802 | S | S | * | * | trans | -17.7 | 130.9 | 167.5 | 56.6 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 178 | S | 39.2 | Very low | 37.3 | Very low | 113 Ų | 113 | 126 Ų | 126 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | 33.5 | 131.2 | 110.7 | -44.9 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 179 | R | 36.5 | Very low | 36.9 | Very low | 241 Ų | 241 | 125.3 Ų | 125.3 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | trans | -144.6 | 124.3 | 148.1 | -63.5 | -177.7 | 179.7 | -110 | 1.4 | 105.2 | ||||
| 180 | Q | 39.9 | Very low | 37.1 | Very low | 181 Ų | 181 | 125.4 Ų | 125.4 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | cis | 53.4 | 126.5 | 47.9 | -70.1 | -169 | 4.4 | 0 | 0 | 113.1 | ||||
| 181 | S | 39 | Very low | 37.1 | Very low | 98 Ų | 98 | 125 Ų | 125 | 69% | 0.685 | 80% | 0.797 | S | S | * | * | cis | -154.3 | 173.2 | -7.9 | -70.8 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 182 | S | 45 | Very low | 37.1 | Very low | 100 Ų | 100 | 126.7 Ų | 126.7 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | 174.7 | 142.1 | 61.9 | -72.6 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 183 | T | 39 | Very low | 37.2 | Very low | 137 Ų | 137 | 125 Ų | 125 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | trans | 21.2 | 148.6 | 135.4 | 64.7 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 184 | A | 39.8 | Very low | 37.4 | Very low | 98 Ų | 98 | 123.1 Ų | 123.1 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | cis | -145.3 | -159.3 | 22.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 185 | A | 34.6 | Very low | 37.4 | Very low | 99 Ų | 99 | 116.6 Ų | 116.6 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | cis | -155.3 | -161.7 | 8.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 186 | S | 32.8 | Very low | 37.7 | Very low | 112 Ų | 112 | 124.9 Ų | 124.9 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | trans | -98 | 167.8 | -176.5 | -51 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 187 | S | 36.8 | Very low | 38.4 | Very low | 100 Ų | 100 | 123.3 Ų | 123.3 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | cis | -168.7 | 152.4 | 48.5 | -55.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 188 | S | 37.2 | Very low | 39.1 | Very low | 110 Ų | 110 | 123.8 Ų | 123.8 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | 53.6 | 135.7 | 138.9 | 68.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 189 | S | 35.1 | Very low | 39.7 | Very low | 102 Ų | 102 | 124.6 Ų | 124.6 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | cis | -158.3 | 153.8 | 22.6 | -59.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 190 | S | 36.4 | Very low | 39.9 | Very low | 113 Ų | 113 | 119.7 Ų | 119.7 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | 49 | 116.5 | 141.4 | 63.6 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 191 | A | 34.3 | Very low | 39.6 | Very low | 100 Ų | 100 | 120.8 Ų | 120.8 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | 110.9 | 124.3 | 122.8 | 0 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 192 | N | 37.1 | Very low | 39.5 | Very low | 150 Ų | 150 | 121.4 Ų | 121.4 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | 82.7 | 95.6 | 146.7 | -133.8 | 27.4 | 0 | 0 | 0 | 121.1 | ||||
| 193 | S | 38.1 | Very low | 39.2 | Very low | 113 Ų | 113 | 122.3 Ų | 122.3 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | 64.1 | 121 | 123.2 | -58.4 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 194 | G | 38.7 | Very low | 39.2 | Very low | 71 Ų | 71 | 122.1 Ų | 122.1 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | trans | 142.8 | 107.7 | 160.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | R196 | G194-R196 PolarHBondContact O-N 3.29Š| ||
| 195 | A | 40 | Very low | 39 | Very low | 113 Ų | 113 | 123.5 Ų | 123.5 | 93% | 0.934 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 128.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 196 | R | 42.5 | Very low | 39.1 | Very low | 247 Ų | 247 | 124.7 Ų | 124.7 | 93% | 0.932 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 126.2 | 170.7 | -85.2 | -176.9 | 172.3 | 171.2 | -1.3 | 110.9 | G194 | G194-R196 PolarHBondContact O-N 3.29Š|
| 197 | A | 46.9 | Very low | 39.3 | Very low | 90 Ų | 90 | 124.5 Ų | 124.5 | 74% | 0.744 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 155.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 198 | P | 51.6 | Low | 39.6 | Very low | 112 Ų | 112 | 128 Ų | 128 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -68 | 151.9 | 179.8 | 29 | -35.8 | 0 | 0 | 0 | 112 | T200 | P198-T200 PolarHBondContact O-N 2.78Š|
| 199 | P | 51.3 | Low | 39.8 | Very low | 130 Ų | 130 | 128 Ų | 128 | 84% | 0.844 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 127.3 | 179.1 | 28.2 | -34 | 0 | 0 | 0 | 111.2 | ||
| 200 | T | 40.6 | Very low | 40.2 | Very low | 138 Ų | 138 | 132.9 Ų | 132.9 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 129.5 | 174.7 | 43.7 | 0 | 0 | 0 | 0 | 111 | P198 S202 | P198-T200 PolarHBondContact O-N 2.78Å; T200-S202 PolarHBondContact O-N 2.98Å |
| 201 | R | 35.2 | Very low | 40.6 | Very low | 203 Ų | 203 | 130.6 Ų | 130.6 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | trans | -68.9 | 109.9 | 179.8 | 174.8 | -175.9 | 170.1 | -167.6 | -2.6 | 110.8 | Q203 | R201-Q203 HydrophobicContact CG-CG 4.28Å; R201-Q203 PolarHBondContact O-N 3.46Å | ||
| 202 | S | 36.1 | Very low | 40.9 | Very low | 111 Ų | 111 | 132.6 Ų | 132.6 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -72.2 | 93.3 | 172 | 43 | 0 | 0 | 0 | 0 | 111.5 | T200 T204 | T200-S202 PolarHBondContact O-N 2.98Å; S202-T204 PolarHBondContact O-N 2.8Å | ||
| 203 | Q | 39.7 | Very low | 41.5 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 56% | 0.561 | 79% | 0.793 | S | S | * | * | trans | -80.2 | 96.7 | 166.3 | -73.3 | -106.4 | 104.5 | 0 | 0 | 109.6 | R201 N205 | R201-Q203 HydrophobicContact CG-CG 4.28Å; R201-Q203 PolarHBondContact O-N 3.46Å; Q203-N205 PolarHBondContact O-N 3.22Å | ||
| 204 | T | 38.5 | Very low | 42.1 | Very low | 133 Ų | 133 | 134.8 Ų | 134.8 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | trans | -72.1 | 78.3 | 166 | 31 | 0 | 0 | 0 | 0 | 110.1 | S202 C206 | S202-T204 PolarHBondContact O-N 2.8Å; T204-C206 PolarHBondContact O-N 3.14Å; T204-C206 VanDerWaalsContact O-N 3.16Å | ||
| 205 | N | 35 | Very low | 42.8 | Very low | 127 Ų | 127 | 138.9 Ų | 138.9 | 68% | 0.679 | 80% | 0.796 | S | S | * | * | trans | -83.6 | 90.6 | -176.7 | -145.3 | 75 | 0 | 0 | 0 | 110.6 | Q203 C207 | Q203-N205 PolarHBondContact O-N 3.22Å; N205-C207 PolarHBondContact O-N 3.26Å | ||
| 206 | C | 37.8 | Very low | 43.1 | Very low | 123 Ų | 123 | 140.4 Ų | 140.4 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | trans | -69.7 | 88.5 | 172.4 | -64.3 | 0 | 0 | 0 | 0 | 111.2 | T204 | T204-C206 PolarHBondContact O-N 3.14Å; T204-C206 VanDerWaalsContact O-N 3.16Å | ||
| 207 | C | 36.5 | Very low | 43.7 | Very low | 108 Ų | 108 | 139.5 Ų | 139.5 | 73% | 0.73 | 79% | 0.792 | S | S | * | * | trans | -170.9 | 107.7 | 156.8 | -100.7 | 0 | 0 | 0 | 0 | 108.4 | N205 | N205-C207 PolarHBondContact O-N 3.26Š| ||
| 208 | L | 41.9 | Very low | 43.7 | Very low | 175 Ų | 175 | 141.5 Ų | 141.5 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 131.7 | 167.9 | -138 | 84.6 | 0 | 0 | 0 | 108.7 | ||
| 209 | P | 43.3 | Very low | 43.4 | Very low | 110 Ų | 110 | 143.7 Ų | 143.7 | 71% | 0.714 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 158 | 153.2 | 34.1 | -30.4 | 0 | 0 | 0 | 109.9 | ||
| 210 | E | 42.1 | Very low | 42.9 | Very low | 204 Ų | 204 | 145.6 Ų | 145.6 | 95% | 0.953 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -73.4 | 138.1 | -178.7 | -142.2 | 164.6 | 117.3 | 0 | 0 | 111.9 | ||
| 211 | G | 45.1 | Very low | 43 | Very low | 65 Ų | 65 | 144 Ų | 144 | 67% | 0.67 | 79% | 0.792 | S | S | * | * | trans | 105.4 | 150.3 | 164.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 212 | T | 40.5 | Very low | 44.1 | Very low | 141 Ų | 141 | 140.7 Ų | 140.7 | 87% | 0.865 | 80% | 0.795 | S | S | * | * | trans | 80.9 | 74 | 176.7 | -30.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 213 | M | 50 | Low | 44.4 | Very low | 169 Ų | 169 | 141.7 Ų | 141.7 | 83% | 0.833 | 79% | 0.792 | S | S | * | * | trans | -57.8 | 156.4 | 147.6 | 53.2 | -157.2 | 151.7 | 0 | 0 | 112 | ||||
| 214 | N | 51.5 | Low | 44.2 | Very low | 141 Ų | 141 | 144.5 Ų | 144.5 | 75% | 0.754 | 80% | 0.802 | S | S | * | * | trans | 100.8 | 146.3 | 178.4 | -55.4 | -18.7 | 0 | 0 | 0 | 116 | ||||
| 215 | N | 51.8 | Low | 44.4 | Very low | 156 Ų | 156 | 143.3 Ų | 143.3 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | trans | 91.3 | 49 | 172.9 | -47.2 | -18.9 | 0 | 0 | 0 | 118 | ||||
| 216 | V | 47.7 | Very low | 44.7 | Very low | 146 Ų | 146 | 143.9 Ų | 143.9 | 89% | 0.885 | 81% | 0.807 | S | S | * | * | trans | -113.8 | 77.9 | 151.4 | -174.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 217 | Y | 54.5 | Low | 45.4 | Very low | 227 Ų | 227 | 145.5 Ų | 145.5 | 89% | 0.89 | 81% | 0.807 | S | S | * | * | trans | -140.6 | 52.3 | 171.1 | -139.9 | -77.9 | 0 | 0 | 0 | 111.2 | ||||
| 218 | V | 47.6 | Very low | 45.5 | Very low | 133 Ų | 133 | 146.8 Ų | 146.8 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -137.8 | 131.9 | 166.3 | -78.4 | 0 | 0 | 0 | 0 | 110.7 | ||
| 219 | N | 45.3 | Very low | 44.8 | Very low | 157 Ų | 157 | 144.3 Ų | 144.3 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | trans | 77.2 | 80.2 | 167.6 | -148.8 | -7 | 0 | 0 | 0 | 117.8 | ||||
| 220 | M | 40.5 | Very low | 44.5 | Very low | 171 Ų | 171 | 147.8 Ų | 147.8 | 84% | 0.842 | 81% | 0.809 | S | S | * | * | trans | -117.3 | 125 | 153.2 | -173.6 | 62.6 | 159.3 | 0 | 0 | 108.3 | ||||
| 221 | P | 42.8 | Very low | 44.3 | Very low | 104 Ų | 104 | 146.9 Ų | 146.9 | 68% | 0.675 | 81% | 0.805 | S | S | * | * | trans | -68.2 | 135 | 179.1 | -19.2 | 32.3 | 0 | 0 | 0 | 112.1 | N223 | P221-N223 PolarHBondContact O-N 3.07Š| ||
| 222 | T | 58.1 | Low | 43.8 | Very low | 133 Ų | 133 | 148.8 Ų | 148.8 | 82% | 0.816 | 81% | 0.814 | S | S | * | * | trans | -83.3 | 93.2 | 179.2 | 51.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 223 | N | 42.5 | Very low | 43.9 | Very low | 133 Ų | 133 | 148.6 Ų | 148.6 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | trans | -155.5 | 143.8 | 157.1 | -126 | -105.2 | 0 | 0 | 0 | 113.8 | P221 | P221-N223 PolarHBondContact O-N 3.07Š| ||
| 224 | F | 35.9 | Very low | 43 | Very low | 178 Ų | 178 | 149 Ų | 149 | 78% | 0.781 | 81% | 0.813 | S | S | * | * | S | Bend | trans | 71.6 | 93.3 | 177.3 | -65.9 | -75.6 | 0 | 0 | 0 | 119.4 | ||
| 225 | S | 42.7 | Very low | 42.3 | Very low | 108 Ų | 108 | 149.9 Ų | 149.9 | 76% | 0.755 | 82% | 0.816 | S | S | * | * | trans | 24.6 | 111.2 | 136.5 | -52 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 226 | V | 41.6 | Very low | 42 | Very low | 140 Ų | 140 | 147 Ų | 147 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | trans | -124.2 | 111.5 | 147 | -179.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 227 | L | 51.1 | Low | 41.7 | Very low | 157 Ų | 157 | 145.6 Ų | 145.6 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | trans | -79.3 | 136.7 | 164.8 | -85.1 | 88.1 | 0 | 0 | 0 | 109.3 | ||||
| 228 | N | 38.8 | Very low | 40.8 | Very low | 135 Ų | 135 | 143 Ų | 143 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | trans | 63.1 | 84.5 | 155.1 | -161.1 | 36.5 | 0 | 0 | 0 | 118.4 | ||||
| 229 | C | 28.5 | Very low | 40.1 | Very low | 122 Ų | 122 | 146.3 Ų | 146.3 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | trans | -135.2 | 125.1 | 135.1 | -87.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 230 | Q | 35.9 | Very low | 39.8 | Very low | 184 Ų | 184 | 141.7 Ų | 141.7 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 138.5 | 179.3 | -72.8 | -178.8 | -17.6 | 0 | 0 | 110.8 | ||
| 231 | Q | 37.8 | Very low | 39.5 | Very low | 185 Ų | 185 | 142.1 Ų | 142.1 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 136.9 | 172.6 | -72.7 | 175 | -53.7 | 0 | 0 | 110.5 | T233 | Q231-T233 PolarHBondContact O-N 2.76Š|
| 232 | A | 34 | Very low | 39.5 | Very low | 105 Ų | 105 | 148.1 Ų | 148.1 | 87% | 0.868 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 125.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 233 | T | 43.3 | Very low | 38.6 | Very low | 136 Ų | 136 | 149.5 Ų | 149.5 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 146.5 | 176.6 | -51.7 | 0 | 0 | 0 | 0 | 110.7 | Q231 | Q231-T233 PolarHBondContact O-N 2.76Š|
| 234 | Q | 31.9 | Very low | 38.5 | Very low | 178 Ų | 178 | 151.5 Ų | 151.5 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 146.8 | -177.3 | -73.7 | -157 | 18.6 | 0 | 0 | 114.3 | ||
| 235 | I | 37 | Very low | 38.8 | Very low | 159 Ų | 159 | 148.5 Ų | 148.5 | 82% | 0.815 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 119.2 | 171.4 | -62.9 | 169.6 | 0 | 0 | 0 | 109.3 | ||
| 236 | V | 44 | Very low | 39.2 | Very low | 97 Ų | 97 | 149.3 Ų | 149.3 | 59% | 0.588 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 136.3 | 163 | 174.1 | 0 | 0 | 0 | 0 | 107.9 | H238 | V236-H238 PolarHBondContact O-N 3.39Š|
| 237 | P | 42.3 | Very low | 39.1 | Very low | 115 Ų | 115 | 153.5 Ų | 153.5 | 75% | 0.747 | 81% | 0.81 | S | S | * | * | trans | -87.9 | 109.6 | -173.6 | 32.9 | -32.8 | 0 | 0 | 0 | 112.2 | ||||
| 238 | H | 35.8 | Very low | 38.9 | Very low | 173 Ų | 173 | 151.3 Ų | 151.3 | 80% | 0.801 | 80% | 0.802 | S | S | * | * | trans | -127.1 | 141.7 | 166.4 | -66.7 | -44.6 | 0 | 0 | 0 | 112 | V236 | V236-H238 PolarHBondContact O-N 3.39Š| ||
| 239 | Q | 33.4 | Very low | 38.7 | Very low | 202 Ų | 202 | 148.1 Ų | 148.1 | 94% | 0.944 | 80% | 0.801 | S | S | * | * | trans | -65.2 | 151.9 | -174.7 | -66.6 | -109.7 | -2 | 0 | 0 | 113.2 | ||||
| 240 | G | 38.5 | Very low | 39.3 | Very low | 61 Ų | 61 | 152.1 Ų | 152.1 | 63% | 0.629 | 80% | 0.801 | S | S | * | * | trans | 134.1 | 139.5 | 147.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 241 | Q | 34 | Very low | 39.4 | Very low | 179 Ų | 179 | 148.4 Ų | 148.4 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | trans | 60.6 | 113.1 | 162.3 | -88.1 | 85.8 | -18.6 | 0 | 0 | 121 | ||||
| 242 | Y | 43.5 | Very low | 39.6 | Very low | 230 Ų | 230 | 145.2 Ų | 145.2 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | -55.7 | 138.3 | 154.1 | -66 | -104.6 | 0 | 0 | 0 | 112.3 | ||||
| 243 | L | 38.5 | Very low | 39.8 | Very low | 163 Ų | 163 | 149 Ų | 149 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | -156.2 | 154.5 | 155.1 | -101.2 | 138.9 | 0 | 0 | 0 | 110.3 | ||||
| 244 | H | 41.2 | Very low | 39.7 | Very low | 174 Ų | 174 | 151 Ų | 151 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -75 | 156.4 | -159.7 | -74.7 | -119.6 | 0 | 0 | 0 | 115.4 | ||
| 245 | P | 40.6 | Very low | 39.9 | Very low | 115 Ų | 115 | 149.1 Ų | 149.1 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 142 | 166.9 | 31.7 | -34.1 | 0 | 0 | 0 | 111.6 | ||
| 246 | P | 50.9 | Low | 40 | Very low | 125 Ų | 125 | 146.8 Ų | 146.8 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 136.4 | 175.7 | 31.1 | -33.4 | 0 | 0 | 0 | 111.7 | ||
| 247 | Y | 39.3 | Very low | 40 | Very low | 228 Ų | 228 | 148 Ų | 148 | 89% | 0.894 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 133.6 | 175.4 | -154.9 | -94.2 | 0 | 0 | 0 | 110.2 | G249 | Y247-G249 PolarHBondContact O-N 2.97Š|
| 248 | V | 47.4 | Very low | 40.2 | Very low | 111 Ų | 111 | 148.1 Ų | 148.1 | 67% | 0.673 | 80% | 0.796 | S | S | * | * | trans | -75.5 | 105.7 | 176.6 | 176.9 | 0 | 0 | 0 | 0 | 109.1 | Y250 | V248-Y250 HydrophobicContact CG1-CE2 4.38Å; V248-Y250 PolarHBondContact O-N 3.26Å | ||
| 249 | G | 35.9 | Very low | 40.5 | Very low | 68 Ų | 68 | 148.8 Ų | 148.8 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | trans | -82.2 | 109.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y247 A251 | Y247-G249 PolarHBondContact O-N 2.97Å; G249-A251 PolarHBondContact O-N 3.07Å | ||
| 250 | Y | 39.8 | Very low | 41.1 | Very low | 206 Ų | 206 | 145.5 Ų | 145.5 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | trans | -74.6 | 119.2 | 161.9 | -70.5 | -89.2 | 0 | 0 | 0 | 108.9 | V248 V252 | V248-Y250 HydrophobicContact CG1-CE2 4.38Å; V248-Y250 PolarHBondContact O-N 3.26Å; Y250-V252 PolarHBondContact O-N 3.02Å; Y250-V252 VanDerWaalsContact O-N 3.1Å | ||
| 251 | A | 39.1 | Very low | 41.4 | Very low | 106 Ų | 106 | 147.5 Ų | 147.5 | 88% | 0.876 | 81% | 0.805 | S | S | * | * | trans | -72.8 | 100.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | G249 | G249-A251 PolarHBondContact O-N 3.07Š| ||
| 252 | V | 42 | Very low | 41.9 | Very low | 118 Ų | 118 | 145.3 Ų | 145.3 | 72% | 0.715 | 80% | 0.804 | S | S | * | * | trans | -81.1 | 120.7 | 169.2 | 178.4 | 0 | 0 | 0 | 0 | 108.4 | Y250 H254 | Y250-V252 PolarHBondContact O-N 3.02Å; Y250-V252 VanDerWaalsContact O-N 3.1Å; V252-H254 PolarHBondContact O-N 2.86Å | ||
| 253 | Q | 37.1 | Very low | 42.1 | Very low | 185 Ų | 185 | 139.6 Ų | 139.6 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | -71.6 | 106.9 | 177.1 | -171.7 | 170 | -1.6 | 0 | 0 | 109.1 | D255 | Q253-D255 PolarHBondContact O-N 2.92Š| ||
| 254 | H | 40.7 | Very low | 42.6 | Very low | 177 Ų | 177 | 137.3 Ų | 137.3 | 82% | 0.819 | 79% | 0.79 | S | S | * | * | trans | -79 | 103.5 | 177.8 | -107.3 | -82.3 | 0 | 0 | 0 | 110.5 | V252 | V252-H254 PolarHBondContact O-N 2.86Š| ||
| 255 | D | 36.3 | Very low | 42.2 | Very low | 139 Ų | 139 | 137.4 Ų | 137.4 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | trans | -68 | 127.5 | 162.9 | -121.8 | -58.9 | 0 | 0 | 0 | 109.5 | Q253 V257 | Q253-D255 PolarHBondContact O-N 2.92Å; D255-V257 PolarHBondContact O-N 3.45Å; D255-V257 VanDerWaalsContact O-N 3.14Å | ||
| 256 | S | 39.8 | Very low | 42.3 | Very low | 111 Ų | 111 | 139.6 Ų | 139.6 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | -86.9 | 85.5 | -170.7 | 58.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 257 | V | 44.4 | Very low | 41.8 | Very low | 121 Ų | 121 | 140.1 Ų | 140.1 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | trans | -86.5 | 126.2 | 171.1 | -167.5 | 0 | 0 | 0 | 0 | 109.6 | D255 M259 | D255-V257 PolarHBondContact O-N 3.45Å; D255-V257 VanDerWaalsContact O-N 3.14Å; V257-M259 PolarHBondContact O-N 2.91Å | ||
| 258 | P | 46.7 | Very low | 41.6 | Very low | 119 Ų | 119 | 132.7 Ų | 132.7 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | trans | -71.6 | 114 | -178.5 | 27.5 | -33.4 | 0 | 0 | 0 | 111.4 | T260 | P258-T260 PolarHBondContact O-N 2.86Š| ||
| 259 | M | 42 | Very low | 41.3 | Very low | 187 Ų | 187 | 135.2 Ų | 135.2 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 127 | 172.1 | -76 | -70.1 | -158.7 | 0 | 0 | 111 | V257 | V257-M259 PolarHBondContact O-N 2.91Š|
| 260 | T | 45.7 | Very low | 41.6 | Very low | 132 Ų | 132 | 140.9 Ų | 140.9 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 146.8 | 170 | 35.6 | 0 | 0 | 0 | 0 | 111.3 | P258 | P258-T260 PolarHBondContact O-N 2.86Š|
| 261 | A | 45.5 | Very low | 41.9 | Very low | 103 Ų | 103 | 136.6 Ų | 136.6 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -70 | 136.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 262 | V | 43.7 | Very low | 41.7 | Very low | 134 Ų | 134 | 135 Ų | 135 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 131.2 | 172.2 | -179.6 | 0 | 0 | 0 | 0 | 109.4 | ||
| 263 | P | 48.1 | Very low | 41.7 | Very low | 110 Ų | 110 | 141.4 Ų | 141.4 | 71% | 0.714 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -72 | 148.3 | 176 | 29.9 | -34.4 | 0 | 0 | 0 | 111.6 | ||
| 264 | P | 47.6 | Very low | 41.8 | Very low | 114 Ų | 114 | 143.9 Ų | 143.9 | 74% | 0.74 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 144.5 | -175.8 | 28.5 | -34.8 | 0 | 0 | 0 | 113 | M266 | P264-M266 PolarHBondContact O-N 3.48Š|
| 265 | F | 33.6 | Very low | 41.8 | Very low | 176 Ų | 176 | 144.4 Ų | 144.4 | 77% | 0.772 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -65 | 125.5 | 174.5 | -173.7 | -94.9 | 0 | 0 | 0 | 110.8 | D267 | F265-D267 HydrophobicContact CE1-CB 4.25Š|
| 266 | M | 43.4 | Very low | 42 | Very low | 162 Ų | 162 | 145.3 Ų | 145.3 | 80% | 0.798 | 81% | 0.808 | S | S | * | * | trans | -103.3 | 115.1 | 170.4 | -76.2 | -74.5 | 101 | 0 | 0 | 109.4 | P264 | P264-M266 PolarHBondContact O-N 3.48Š| ||
| 267 | D | 40.1 | Very low | 41.9 | Very low | 136 Ų | 136 | 149 Ų | 149 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | trans | -78.5 | 137 | 171.7 | -149.9 | -56.7 | 0 | 0 | 0 | 109.6 | F265 | F265-D267 HydrophobicContact CE1-CB 4.25Š| ||
| 268 | G | 35.7 | Very low | 41.7 | Very low | 71 Ų | 71 | 147.3 Ų | 147.3 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | trans | -163.6 | 87.1 | -163.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q270 | G268-Q270 PolarHBondContact O-N 3.37Š| ||
| 269 | L | 41.1 | Very low | 41.3 | Very low | 165 Ų | 165 | 147.5 Ų | 147.5 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | trans | -65.7 | 122.9 | 176.5 | -67.2 | 160.2 | 0 | 0 | 0 | 112.6 | ||||
| 270 | Q | 40.6 | Very low | 41.1 | Very low | 186 Ų | 186 | 146.5 Ų | 146.5 | 87% | 0.869 | 80% | 0.798 | S | S | * | * | 178 | 154.8 | 130 | -90.1 | -109 | 69.6 | 0 | 0 | 111.8 | G268 | G268-Q270 PolarHBondContact O-N 3.37Š| |||
| 271 | P | 46.1 | Very low | 41.2 | Very low | 117 Ų | 117 | 146.3 Ų | 146.3 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | trans | -90.2 | 140.1 | -169.9 | 35.6 | -31 | 0 | 0 | 0 | 112.5 | ||||
| 272 | G | 36.2 | Very low | 41 | Very low | 71 Ų | 71 | 149.8 Ų | 149.8 | 73% | 0.732 | 80% | 0.797 | S | S | * | * | trans | -161.9 | 109.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | R274 | G272-R274 PolarHBondContact O-N 2.82Š| ||
| 273 | Y | 42.5 | Very low | 40.6 | Very low | 253 Ų | 253 | 150.1 Ų | 150.1 | 99% | 0.992 | 80% | 0.8 | S | S | * | * | trans | -61.5 | 120.2 | 171.3 | -85.4 | -100.5 | 0 | 0 | 0 | 109.9 | ||||
| 274 | R | 38.1 | Very low | 39.8 | Very low | 238 Ų | 238 | 151.1 Ų | 151.1 | 90% | 0.898 | 80% | 0.799 | S | S | * | * | trans | -121.9 | 130.3 | 158.9 | -104.1 | -165.8 | 172.8 | -147.8 | -0.7 | 110 | G272 | G272-R274 PolarHBondContact O-N 2.82Š| ||
| 275 | Q | 40.4 | Very low | 39.3 | Very low | 188 Ų | 188 | 151.3 Ų | 151.3 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 137.6 | 172.4 | -79.6 | -99.1 | -74.6 | 0 | 0 | 110.7 | ||
| 276 | I | 39.8 | Very low | 39.8 | Very low | 157 Ų | 157 | 150 Ų | 150 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 129.2 | 162.6 | -94.5 | 64.5 | 0 | 0 | 0 | 107.7 | ||
| 277 | Q | 38.9 | Very low | 39.7 | Very low | 190 Ų | 190 | 150 Ų | 150 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 116.5 | 175 | -168.8 | 160.4 | 5 | 0 | 0 | 108.9 | ||
| 278 | S | 40.7 | Very low | 39.7 | Very low | 85 Ų | 85 | 152.8 Ų | 152.8 | 59% | 0.594 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 133.4 | -178.2 | 52.1 | 0 | 0 | 0 | 0 | 112.1 | F280 | S278-F280 PolarHBondContact O-N 3.5Å; S278-F280 VanDerWaalsContact O-N 3.07Å |
| 279 | P | 37.7 | Very low | 39.8 | Very low | 122 Ų | 122 | 157.6 Ų | 157.6 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | trans | -83.1 | 81.3 | 178.5 | 33.6 | -34.5 | 0 | 0 | 0 | 112 | ||||
| 280 | F | 38 | Very low | 39.9 | Very low | 167 Ų | 167 | 160.3 Ų | 160.3 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | trans | -138.2 | 122.2 | 165.8 | -79.2 | -76.3 | 0 | 0 | 0 | 110.6 | S278 | S278-F280 PolarHBondContact O-N 3.5Å; S278-F280 VanDerWaalsContact O-N 3.07Å | ||
| 281 | P | 47.8 | Very low | 40.8 | Very low | 127 Ų | 127 | 157.1 Ų | 157.1 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -83.3 | 123 | 170.5 | 31.3 | -30.3 | 0 | 0 | 0 | 110.9 | ||||
| 282 | H | 41 | Very low | 40.7 | Very low | 177 Ų | 177 | 156.1 Ų | 156.1 | 82% | 0.819 | 81% | 0.806 | S | S | * | * | trans | -103.2 | 112.3 | 169.4 | -80.6 | -84 | 0 | 0 | 0 | 111.1 | ||||
| 283 | T | 35.1 | Very low | 41.4 | Very low | 141 Ų | 141 | 159.5 Ų | 159.5 | 87% | 0.865 | 81% | 0.812 | S | S | * | * | trans | -166 | 146.1 | 155.9 | 45.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 284 | N | 32.7 | Very low | 41.7 | Very low | 130 Ų | 130 | 153.1 Ų | 153.1 | 70% | 0.695 | 80% | 0.8 | S | S | * | * | cis | -157.8 | 127.2 | -21.5 | 175.2 | 5.3 | 0 | 0 | 0 | 104.6 | ||||
| 285 | S | 35.8 | Very low | 41.8 | Very low | 118 Ų | 118 | 152.2 Ų | 152.2 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | -112.2 | 91 | -178.5 | 59.6 | 0 | 0 | 0 | 0 | 111.1 | Q287 | S285-Q287 PolarHBondContact O-N 2.87Š| ||
| 286 | E | 43.8 | Very low | 41.9 | Very low | 149 Ų | 149 | 150.4 Ų | 150.4 | 70% | 0.696 | 82% | 0.817 | S | S | * | * | trans | -73.7 | 124.6 | 172.9 | -77.7 | -171.2 | 75.2 | 0 | 0 | 112.3 | ||||
| 287 | Q | 42.9 | Very low | 42 | Very low | 163 Ų | 163 | 150.1 Ų | 150.1 | 76% | 0.762 | 82% | 0.818 | S | S | * | * | trans | 46.4 | 109.9 | 141.7 | -55.8 | 179.7 | 2.6 | 0 | 0 | 119.5 | S285 | S285-Q287 PolarHBondContact O-N 2.87Š| ||
| 288 | K | 38.6 | Very low | 42.2 | Very low | 194 Ų | 194 | 147.8 Ų | 147.8 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | -169.8 | 125.5 | 104.6 | -108.8 | 172.2 | 176.1 | 171.4 | 0 | 115.7 | |||||
| 289 | M | 38 | Very low | 42.3 | Very low | 171 Ų | 171 | 151.5 Ų | 151.5 | 84% | 0.842 | 83% | 0.827 | S | S | * | * | trans | 64.1 | 101 | 130.9 | -151.4 | 150.9 | -173.8 | 0 | 0 | 119.9 | ||||
| 290 | Y | 44.3 | Very low | 42.6 | Very low | 222 Ų | 222 | 153.4 Ų | 153.4 | 87% | 0.871 | 83% | 0.829 | S | S | * | * | trans | -65.7 | 151.7 | 150.2 | -68 | -91.9 | 0 | 0 | 0 | 111.1 | ||||
| 291 | P | 57.6 | Low | 42.9 | Very low | 119 Ų | 119 | 152.5 Ų | 152.5 | 77% | 0.773 | 84% | 0.835 | S | S | * | * | trans | -117 | 133.2 | 135.7 | 33.6 | -26.8 | 0 | 0 | 0 | 110.5 | ||||
| 292 | A | 45.8 | Very low | 42.5 | Very low | 97 Ų | 97 | 154.3 Ų | 154.3 | 80% | 0.802 | 84% | 0.836 | S | S | * | * | trans | -82.7 | 140.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 293 | V | 49 | Very low | 42.6 | Very low | 142 Ų | 142 | 152.5 Ų | 152.5 | 86% | 0.861 | 84% | 0.837 | S | S | * | * | trans | -131.3 | 129.6 | 156.6 | -179.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 294 | T | 50 | Low | 43.3 | Very low | 119 Ų | 119 | 153.5 Ų | 153.5 | 73% | 0.73 | 84% | 0.835 | S | S | * | * | trans | -89.3 | 153.8 | -174 | 41.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 295 | V | 40.6 | Very low | 44.2 | Very low | 218 Ų | 218 | 155.6 Ų | 155.6 | 100% | 1.321 | 85% | 0.848 | S | S | * | * | trans | 36.1 | 0 | 150.3 | -169.8 | 0 | 0 | 0 | 0 | 117 |
Retrieved 295 of 295 residues in 60.9 ms
(Link to these results)