| 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 | 53.3 | Low | 71.1 | Confident | 228 Ų | 228 | 124.2 Ų | 124.2 | 100% | 1.123 | 65% | 0.645 | S | S | * | * | 0 | 13 | 0 | -65.2 | 172.1 | 134.8 | 0 | 0 | 114.9 | |||||
| 2 | K | 57 | Low | 72.7 | Confident | 192 Ų | 192 | 123 Ų | 123 | 84% | 0.835 | 64% | 0.639 | S | S | * | * | trans | -93.8 | -20.7 | -178.3 | -67.4 | 167.7 | 173.6 | 140.5 | 0 | 114.2 | ||||
| 3 | M | 57.8 | Low | 74.1 | Confident | 152 Ų | 152 | 121.7 Ų | 121.7 | 75% | 0.749 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -78.1 | -33.3 | -176 | -65.3 | -98.1 | 69.5 | 0 | 0 | 113.6 | S5 S6 L7 | M3-S5 VanDerWaalsContact C-N 3.29Å; M3-S5 PolarHBondContact O-N 3.24Å; M3-S6 PolarHBondContact O-N 3.11Å; M3-L7 PolarHBondContact O-N 3Å |
| 4 | L | 59.1 | Low | 75.4 | Confident | 138 Ų | 138 | 121.5 Ų | 121.5 | 72% | 0.723 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -67.6 | -30 | 178.1 | -74.3 | 94.2 | 0 | 0 | 0 | 112.4 | S8 | L4-S8 WeakPolarHBondContact O-CB 3.38Å; L4-S8 PolarHBondContact O-N 3.1Å; L4-S8 VanDerWaalsContact O-N 3.11Å |
| 5 | S | 62.8 | Low | 76.6 | Confident | 79 Ų | 79 | 121.1 Ų | 121.1 | 55% | 0.552 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -67.9 | -40.2 | 176 | 168.5 | 0 | 0 | 0 | 0 | 112 | M3 L9 | M3-S5 VanDerWaalsContact C-N 3.29Å; M3-S5 PolarHBondContact O-N 3.24Å; S5-L9 VanDerWaalsContact O-CB 3.27Å; S5-L9 WeakPolarHBondContact O-CB 3.22Å; S5-L9 PolarHBondContact O-N 3.09Å |
| 6 | S | 71.3 | Confident | 77.5 | Confident | 42 Ų | 42 | 120.7 Ų | 120.7 | 29% | 0.294 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -69.2 | -39 | 178.8 | -171.7 | 0 | 0 | 0 | 0 | 112.5 | M3 L9 R10 | M3-S6 PolarHBondContact O-N 3.11Å; S6-L9 PolarHBondContact O-N 3.49Å; S6-R10 WeakPolarHBondContact O-CB 3.36Å; S6-R10 VanDerWaalsContact O-CG 3.25Å; S6-R10 WeakPolarHBondContact O-CG 3.46Å; S6-R10 PolarHBondContact O-N 3.01Å |
| 7 | L | 77.4 | Confident | 78.4 | Confident | 119 Ų | 119 | 120.4 Ų | 120.4 | 62% | 0.623 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -66.7 | -44.6 | 176.5 | -173.7 | 68.7 | 0 | 0 | 0 | 111.3 | M3 L9 R10 C11 | M3-L7 PolarHBondContact O-N 3Å; L7-L9 VanDerWaalsContact C-N 3.31Å; L7-L9 PolarHBondContact O-N 3.47Å; L7-R10 PolarHBondContact O-N 3.05Å; L7-C11 PolarHBondContact O-N 3.17Å |
| 8 | S | 81 | Confident | 79 | Confident | 80 Ų | 80 | 116.9 Ų | 116.9 | 56% | 0.559 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -61.2 | -39.6 | 176.6 | -172.1 | 0 | 0 | 0 | 0 | 112.2 | L4 C11 L12 | L4-S8 WeakPolarHBondContact O-CB 3.38Å; L4-S8 PolarHBondContact O-N 3.1Å; L4-S8 VanDerWaalsContact O-N 3.11Å; S8-C11 PolarHBondContact O-N 3.35Å; S8-L12 WeakPolarHBondContact O-CB 3.21Å; S8-L12 PolarHBondContact O-N 3Å |
| 9 | L | 85.2 | Confident | 79.6 | Confident | 101 Ų | 101 | 116.1 Ų | 116.1 | 53% | 0.529 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -70.3 | -39.5 | 179.6 | -171.4 | 141.5 | 0 | 0 | 0 | 111.8 | S5 S6 L7 L12 L13 | S5-L9 VanDerWaalsContact O-CB 3.27Å; S5-L9 WeakPolarHBondContact O-CB 3.22Å; S5-L9 PolarHBondContact O-N 3.09Å; S6-L9 PolarHBondContact O-N 3.49Å; L7-L9 VanDerWaalsContact C-N 3.31Å; L7-L9 PolarHBondContact O-N 3.47Å; L9-L12 PolarHBondContact O-N 3.1Å; L9-L13 HydrophobicContact CD2-CD1 3.6Å; L9-L13 WeakPolarHBondContact O-CG 3.49Å; L9-L13 PolarHBondContact O-N 3.06Å |
| 10 | R | 87.8 | Confident | 80 | Confident | 162 Ų | 162 | 113.1 Ų | 113.1 | 61% | 0.611 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -64 | -42.7 | 172.8 | -71.7 | 171 | -174.1 | -115 | 0.4 | 111.7 | S6 L7 L13 L14 | S6-R10 WeakPolarHBondContact O-CB 3.36Å; S6-R10 VanDerWaalsContact O-CG 3.25Å; S6-R10 WeakPolarHBondContact O-CG 3.46Å; S6-R10 PolarHBondContact O-N 3.01Å; L7-R10 PolarHBondContact O-N 3.05Å; R10-L13 PolarHBondContact O-N 3.27Å; R10-L14 VanDerWaalsContact O-CG 3.32Å; R10-L14 WeakPolarHBondContact O-CG 3.43Å; R10-L14 PolarHBondContact O-N 3.16Å |
| 11 | C | 88.9 | Confident | 80 | Confident | 73 Ų | 73 | 110.1 Ų | 110.1 | 49% | 0.493 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62.8 | -42 | 175.2 | -78.5 | 0 | 0 | 0 | 0 | 112.2 | L7 S8 L14 L15 | L7-C11 PolarHBondContact O-N 3.17Å; S8-C11 PolarHBondContact O-N 3.35Å; C11-L14 PolarHBondContact O-N 3.28Å; C11-L15 WeakPolarHBondContact O-CB 3.34Å; C11-L15 PolarHBondContact O-N 3.29Å |
| 12 | L | 90.6 | Very high | 81.2 | Confident | 110 Ų | 110 | 102.5 Ų | 102.5 | 58% | 0.576 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.8 | -44.2 | 177.1 | -164.3 | 99.3 | 0 | 0 | 0 | 111.4 | S8 L9 L15 L16 | S8-L12 WeakPolarHBondContact O-CB 3.21Å; S8-L12 PolarHBondContact O-N 3Å; L9-L12 PolarHBondContact O-N 3.1Å; L12-L15 PolarHBondContact O-N 3.42Å; L12-L16 WeakPolarHBondContact O-CB 3.46Å; L12-L16 PolarHBondContact O-N 3.45Å |
| 13 | L | 90.9 | Very high | 82.1 | Confident | 106 Ų | 106 | 98.5 Ų | 98.5 | 56% | 0.555 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.1 | -45.2 | 176.5 | -82.1 | 161.2 | 0 | 0 | 0 | 112.3 | L9 R10 L15 L16 L17 | L9-L13 HydrophobicContact CD2-CD1 3.6Å; L9-L13 WeakPolarHBondContact O-CG 3.49Å; L9-L13 PolarHBondContact O-N 3.06Å; R10-L13 PolarHBondContact O-N 3.27Å; L13-L15 VanDerWaalsContact C-N 3.33Å; L13-L15 PolarHBondContact O-N 2.91Å; L13-L16 PolarHBondContact O-N 2.83Å; L13-L17 WeakPolarHBondContact O-CB 3.33Å; L13-L17 PolarHBondContact O-N 2.97Å |
| 14 | L | 92.1 | Very high | 82.9 | Confident | 119 Ų | 119 | 95.1 Ų | 95.1 | 62% | 0.623 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.1 | -39.4 | 177.8 | -70.5 | 174.2 | 0 | 0 | 0 | 111.9 | R10 C11 L17 S18 | R10-L14 VanDerWaalsContact O-CG 3.32Å; R10-L14 WeakPolarHBondContact O-CG 3.43Å; R10-L14 PolarHBondContact O-N 3.16Å; C11-L14 PolarHBondContact O-N 3.28Å; L14-L17 PolarHBondContact O-N 3.3Å; L14-S18 WeakPolarHBondContact O-CB 3.34Å; L14-S18 PolarHBondContact O-N 3.48Å |
| 15 | L | 93.5 | Very high | 83 | Confident | 116 Ų | 116 | 92.6 Ų | 92.6 | 61% | 0.607 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.5 | -45.6 | 175.9 | -174.7 | 68.6 | 0 | 0 | 0 | 110.9 | C11 L12 L13 L17 S18 L19 | C11-L15 WeakPolarHBondContact O-CB 3.34Å; C11-L15 PolarHBondContact O-N 3.29Å; L12-L15 PolarHBondContact O-N 3.42Å; L13-L15 VanDerWaalsContact C-N 3.33Å; L13-L15 PolarHBondContact O-N 2.91Å; L15-L17 VanDerWaalsContact C-N 3.35Å; L15-L17 PolarHBondContact O-N 3.49Å; L15-S18 PolarHBondContact O-N 3.41Å; L15-S18 PolarHBondContact O-OG 3.44Å; L15-L19 WeakPolarHBondContact O-CB 3.36Å; L15-L19 PolarHBondContact O-N 3.02Å |
| 16 | L | 91.9 | Very high | 83 | Confident | 114 Ų | 114 | 92.7 Ų | 92.7 | 60% | 0.597 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.8 | -43.2 | 179.1 | -138.3 | 76 | 0 | 0 | 0 | 111.8 | L12 L13 L19 S20 | L12-L16 WeakPolarHBondContact O-CB 3.46Å; L12-L16 PolarHBondContact O-N 3.45Å; L13-L16 PolarHBondContact O-N 2.83Å; L16-L19 PolarHBondContact O-N 2.84Å; L16-S20 PolarHBondContact O-N 3.17Å; L16-S20 PolarHBondContact O-OG 3.21Å |
| 17 | L | 92.6 | Very high | 82.3 | Confident | 115 Ų | 115 | 92.9 Ų | 92.9 | 60% | 0.602 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65 | -38.5 | 177.4 | -175.2 | 62.5 | 0 | 0 | 0 | 112.3 | L13 L14 L15 L19 S20 A21 | L13-L17 WeakPolarHBondContact O-CB 3.33Å; L13-L17 PolarHBondContact O-N 2.97Å; L14-L17 PolarHBondContact O-N 3.3Å; L15-L17 VanDerWaalsContact C-N 3.35Å; L15-L17 PolarHBondContact O-N 3.49Å; L17-L19 VanDerWaalsContact C-N 3.31Å; L17-L19 PolarHBondContact O-N 3.35Å; L17-S20 WeakPolarHBondContact CA-OG 3.38Å; L17-S20 PolarHBondContact O-OG 2.79Å; L17-A21 WeakPolarHBondContact O-CB 3.41Å; L17-A21 PolarHBondContact O-N 3.36Å |
| 18 | S | 89.6 | Confident | 81.1 | Confident | 59 Ų | 59 | 90 Ų | 90 | 41% | 0.413 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.5 | -35.8 | 176.3 | 75.5 | 0 | 0 | 0 | 0 | 112.4 | L14 L15 S22 | L14-S18 WeakPolarHBondContact O-CB 3.34Å; L14-S18 PolarHBondContact O-N 3.48Å; L15-S18 PolarHBondContact O-N 3.41Å; L15-S18 PolarHBondContact O-OG 3.44Å; S18-S22 WeakPolarHBondContact O-CB 3.42Å; S18-S22 PolarHBondContact O-N 3.49Å; S18-S22 VanDerWaalsContact O-N 3.08Å; S18-S22 PolarHBondContact O-OG 3.33Å |
| 19 | L | 90.2 | Very high | 79.8 | Confident | 100 Ų | 100 | 89.3 Ų | 89.3 | 52% | 0.524 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -73 | -43.5 | -179.8 | -173.2 | 61.9 | 0 | 0 | 0 | 110.9 | L15 L16 L17 S22 I23 | L15-L19 WeakPolarHBondContact O-CB 3.36Å; L15-L19 PolarHBondContact O-N 3.02Å; L16-L19 PolarHBondContact O-N 2.84Å; L17-L19 VanDerWaalsContact C-N 3.31Å; L17-L19 PolarHBondContact O-N 3.35Å; L19-S22 PolarHBondContact O-N 3.45Å; L19-I23 HydrophobicContact CD1-CD1 4.41Å; L19-I23 HydrophobicContact CG-CD1 4.06Å; L19-I23 VanDerWaalsContact O-CG1 3.28Å; L19-I23 WeakPolarHBondContact O-CG1 3.39Å; L19-I23 PolarHBondContact O-N 2.86Å |
| 20 | S | 86.1 | Confident | 78.3 | Confident | 57 Ų | 57 | 91.2 Ų | 91.2 | 40% | 0.399 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 175.5 | 61.6 | 0 | 0 | 0 | 0 | 111.6 | L16 L17 S22 I23 S24 | L16-S20 PolarHBondContact O-N 3.17Å; L16-S20 PolarHBondContact O-OG 3.21Å; L17-S20 WeakPolarHBondContact CA-OG 3.38Å; L17-S20 PolarHBondContact O-OG 2.79Å; S20-S22 VanDerWaalsContact C-N 3.33Å; S20-S22 PolarHBondContact O-N 2.75Å; S20-I23 PolarHBondContact O-N 3.47Å; S20-S24 WeakPolarHBondContact O-CB 3.37Å; S20-S24 PolarHBondContact O-N 2.97Å; S20-S24 PolarHBondContact O-OG 3.05Å |
| 21 | A | 80.7 | Confident | 76.8 | Confident | 50 Ų | 50 | 91.6 Ų | 91.6 | 41% | 0.413 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -58.8 | -43.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | L17 I23 S24 C25 | L17-A21 WeakPolarHBondContact O-CB 3.41Å; L17-A21 PolarHBondContact O-N 3.36Å; A21-I23 PolarHBondContact O-N 2.89Å; A21-S24 PolarHBondContact O-N 3.47Å; A21-C25 WeakPolarHBondContact O-CB 3.28Å; A21-C25 PolarHBondContact O-N 2.95Å; A21-C25 PolarHBondContact O-SG 3.29Å |
| 22 | S | 78.8 | Confident | 75.3 | Confident | 68 Ų | 68 | 91.3 Ų | 91.3 | 48% | 0.476 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.9 | -39.5 | 179.5 | -60 | 0 | 0 | 0 | 0 | 112.9 | S18 L19 S20 S26 | S18-S22 WeakPolarHBondContact O-CB 3.42Å; S18-S22 PolarHBondContact O-N 3.49Å; S18-S22 VanDerWaalsContact O-N 3.08Å; S18-S22 PolarHBondContact O-OG 3.33Å; L19-S22 PolarHBondContact O-N 3.45Å; S20-S22 VanDerWaalsContact C-N 3.33Å; S20-S22 PolarHBondContact O-N 2.75Å; S22-S26 WeakPolarHBondContact O-CB 3.15Å; S22-S26 PolarHBondContact O-N 3.48Å; S22-S26 VanDerWaalsContact O-N 3.09Å; S22-S26 PolarHBondContact O-OG 3.16Å |
| 23 | I | 76.4 | Confident | 73.8 | Confident | 108 Ų | 108 | 89.6 Ų | 89.6 | 55% | 0.554 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67.2 | -44 | 177 | -66.2 | 164.6 | 0 | 0 | 0 | 110.3 | L19 S20 A21 S26 S27 | L19-I23 HydrophobicContact CD1-CD1 4.41Å; L19-I23 HydrophobicContact CG-CD1 4.06Å; L19-I23 VanDerWaalsContact O-CG1 3.28Å; L19-I23 WeakPolarHBondContact O-CG1 3.39Å; L19-I23 PolarHBondContact O-N 2.86Å; S20-I23 PolarHBondContact O-N 3.47Å; A21-I23 PolarHBondContact O-N 2.89Å; I23-S26 PolarHBondContact O-N 2.97Å; I23-S27 WeakPolarHBondContact O-CB 3.42Å; I23-S27 PolarHBondContact O-N 3.13Å |
| 24 | S | 74 | Confident | 72.3 | Confident | 81 Ų | 81 | 91.6 Ų | 91.6 | 57% | 0.566 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.9 | -43.8 | 177.2 | -65.6 | 0 | 0 | 0 | 0 | 112.4 | S20 A21 S26 S27 A28 | S20-S24 WeakPolarHBondContact O-CB 3.37Å; S20-S24 PolarHBondContact O-N 2.97Å; S20-S24 PolarHBondContact O-OG 3.05Å; A21-S24 PolarHBondContact O-N 3.47Å; S24-S26 VanDerWaalsContact C-N 3.34Å; S24-S26 PolarHBondContact O-N 2.82Å; S24-S27 PolarHBondContact O-N 3.21Å; S24-A28 PolarHBondContact O-N 3.45Å |
| 25 | C | 62 | Low | 70.8 | Confident | 86 Ų | 86 | 90.7 Ų | 90.7 | 58% | 0.581 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.3 | -39 | 176.6 | -70 | 0 | 0 | 0 | 0 | 112.5 | A21 A29 | A21-C25 WeakPolarHBondContact O-CB 3.28Å; A21-C25 PolarHBondContact O-N 2.95Å; A21-C25 PolarHBondContact O-SG 3.29Å; C25-A29 WeakPolarHBondContact O-CB 3.47Å; C25-A29 PolarHBondContact O-N 3.18Å |
| 26 | S | 61.1 | Low | 69.3 | Low | 81 Ų | 81 | 92.9 Ų | 92.9 | 57% | 0.566 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.9 | -38.6 | 177.9 | -58.2 | 0 | 0 | 0 | 0 | 111.8 | S22 I23 S24 Q30 | S22-S26 WeakPolarHBondContact O-CB 3.15Å; S22-S26 PolarHBondContact O-N 3.48Å; S22-S26 VanDerWaalsContact O-N 3.09Å; S22-S26 PolarHBondContact O-OG 3.16Å; I23-S26 PolarHBondContact O-N 2.97Å; S24-S26 VanDerWaalsContact C-N 3.34Å; S24-S26 PolarHBondContact O-N 2.82Å; S26-Q30 WeakPolarHBondContact O-CB 3.39Å; S26-Q30 PolarHBondContact O-N 3.35Å; S26-Q30 VanDerWaalsContact O-N 3.08Å |
| 27 | S | 57.4 | Low | 68 | Low | 46 Ų | 46 | 93.3 Ų | 93.3 | 32% | 0.322 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67 | -41.7 | 176.7 | -166.3 | 0 | 0 | 0 | 0 | 112.2 | I23 S24 R31 | I23-S27 WeakPolarHBondContact O-CB 3.42Å; I23-S27 PolarHBondContact O-N 3.13Å; S24-S27 PolarHBondContact O-N 3.21Å; S27-R31 WeakPolarHBondContact O-CG 3.43Å; S27-R31 PolarHBondContact O-N 2.77Å; S27-R31 PolarHBondContact OG-NH1 3.08Å |
| 28 | A | 53.3 | Low | 66.7 | Low | 58 Ų | 58 | 93 Ų | 93 | 48% | 0.479 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.4 | -45 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S24 Q30 R31 D32 | S24-A28 PolarHBondContact O-N 3.45Å; A28-Q30 PolarHBondContact O-N 3.44Å; A28-R31 PolarHBondContact O-N 3.25Å; A28-D32 PolarHBondContact O-N 3.12Å |
| 29 | A | 52.5 | Low | 65.3 | Low | 65 Ų | 65 | 95.3 Ų | 95.3 | 54% | 0.537 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.8 | -35.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | C25 | C25-A29 WeakPolarHBondContact O-CB 3.47Å; C25-A29 PolarHBondContact O-N 3.18Å |
| 30 | Q | 53.2 | Low | 63.8 | Low | 142 Ų | 142 | 98.3 Ų | 98.3 | 66% | 0.664 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -71.9 | -35 | 177.5 | -167.2 | -179.4 | -68.2 | 0 | 0 | 112.5 | S26 A28 S33 | S26-Q30 WeakPolarHBondContact O-CB 3.39Å; S26-Q30 PolarHBondContact O-N 3.35Å; S26-Q30 VanDerWaalsContact O-N 3.08Å; A28-Q30 PolarHBondContact O-N 3.44Å; Q30-S33 PolarHBondContact O-OG 2.85Å |
| 31 | R | 56.3 | Low | 62.4 | Low | 169 Ų | 169 | 105.4 Ų | 105.4 | 64% | 0.638 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.6 | -40.9 | 176.9 | -74.5 | -170.6 | -172 | 106.4 | -5 | 112.1 | S27 A28 K34 L35 | S27-R31 WeakPolarHBondContact O-CG 3.43Å; S27-R31 PolarHBondContact O-N 2.77Å; S27-R31 PolarHBondContact OG-NH1 3.08Å; A28-R31 PolarHBondContact O-N 3.25Å; R31-K34 PolarHBondContact O-N 3.34Å; R31-L35 WeakPolarHBondContact O-CB 3.29Å; R31-L35 PolarHBondContact O-N 3.01Å |
| 32 | D | 57.5 | Low | 61.1 | Low | 68 Ų | 68 | 106.7 Ų | 106.7 | 36% | 0.364 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.9 | -44.1 | -175.5 | -170.4 | -3.1 | 0 | 0 | 0 | 112.2 | A28 K34 L35 R36 | A28-D32 PolarHBondContact O-N 3.12Å; D32-K34 PolarHBondContact O-N 3.31Å; D32-L35 PolarHBondContact O-N 3.19Å; D32-R36 VanDerWaalsContact CG-NH2 3.32Å; D32-R36 VanDerWaalsContact O-CB 3.28Å; D32-R36 WeakPolarHBondContact O-CB 3.37Å; D32-R36 PolarHBondContact O-N 3.45Å; D32-R36 IonicContact OD1-CZ 3.44Å; D32-R36 IonicContact OD1-NE 2.75Å; D32-R36 PolarHBondContact OD1-NE 3.06Å; D32-R36 IonicContact OD1-NH2 2.77Å; D32-R36 PolarHBondContact OD1-NH2 3.37Å; D32-R36 IonicContact OD2-CZ 3.65Å; D32-R36 IonicContact OD2-NE 3.74Å; D32-R36 IonicContact OD2-NH2 3.33Å; D32-R36 PolarHBondContact OD2-NH2 3.05Å |
| 33 | S | 59.7 | Low | 59.9 | Low | 74 Ų | 74 | 108.2 Ų | 108.2 | 52% | 0.517 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.3 | -41 | 178.6 | 59.4 | 0 | 0 | 0 | 0 | 113.5 | Q30 L37 | Q30-S33 PolarHBondContact O-OG 2.85Å; S33-L37 WeakPolarHBondContact O-CB 3.4Å; S33-L37 PolarHBondContact O-N 2.97Å; S33-L37 VanDerWaalsContact O-N 3.17Å |
| 34 | K | 60.1 | Low | 58.8 | Low | 147 Ų | 147 | 110.9 Ų | 110.9 | 64% | 0.639 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -73 | -41.4 | 177.5 | -115.1 | -172.8 | 176.9 | 174.1 | 0 | 112.2 | R31 D32 L37 L38 | R31-K34 PolarHBondContact O-N 3.34Å; D32-K34 PolarHBondContact O-N 3.31Å; K34-L37 PolarHBondContact O-N 2.89Å; K34-L38 WeakPolarHBondContact O-CG 3.38Å; K34-L38 PolarHBondContact O-N 3.02Å |
| 35 | L | 60.2 | Low | 57.9 | Low | 101 Ų | 101 | 113.9 Ų | 113.9 | 53% | 0.529 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -65.3 | -44 | 177.5 | -174 | 71.7 | 0 | 0 | 0 | 111 | R31 D32 L37 L38 L39 | R31-L35 WeakPolarHBondContact O-CB 3.29Å; R31-L35 PolarHBondContact O-N 3.01Å; D32-L35 PolarHBondContact O-N 3.19Å; L35-L37 VanDerWaalsContact C-N 3.32Å; L35-L37 PolarHBondContact O-N 3Å; L35-L38 PolarHBondContact O-N 3.02Å; L35-L39 HydrophobicContact CD1-CD1 4.44Å; L35-L39 HydrophobicContact CD1-CG 4.48Å; L35-L39 HydrophobicContact CD2-CD1 4.29Å; L35-L39 HydrophobicContact CG-CD1 3.87Å; L35-L39 HydrophobicContact CG-CG 4.29Å; L35-L39 WeakPolarHBondContact O-CB 3.27Å; L35-L39 WeakPolarHBondContact O-CG 3.21Å; L35-L39 PolarHBondContact O-N 3.44Å |
| 36 | R | 61 | Low | 57.4 | Low | 161 Ų | 161 | 114.1 Ų | 114.1 | 61% | 0.608 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -60.6 | -40.5 | 174.5 | -86.1 | -165.2 | -99.6 | -173.9 | -9 | 112.5 | D32 L38 H40 | D32-R36 VanDerWaalsContact CG-NH2 3.32Å; D32-R36 VanDerWaalsContact O-CB 3.28Å; D32-R36 WeakPolarHBondContact O-CB 3.37Å; D32-R36 PolarHBondContact O-N 3.45Å; D32-R36 IonicContact OD1-CZ 3.44Å; D32-R36 IonicContact OD1-NE 2.75Å; D32-R36 PolarHBondContact OD1-NE 3.06Å; D32-R36 IonicContact OD1-NH2 2.77Å; D32-R36 PolarHBondContact OD1-NH2 3.37Å; D32-R36 IonicContact OD2-CZ 3.65Å; D32-R36 IonicContact OD2-NE 3.74Å; D32-R36 IonicContact OD2-NH2 3.33Å; D32-R36 PolarHBondContact OD2-NH2 3.05Å; R36-L38 VanDerWaalsContact C-N 3.33Å; R36-L38 PolarHBondContact O-N 3.32Å; R36-H40 WeakPolarHBondContact O-CB 3.48Å; R36-H40 PolarHBondContact O-N 3.44Å |
| 37 | L | 65.2 | Low | 57.1 | Low | 124 Ų | 124 | 115.3 Ų | 115.3 | 65% | 0.649 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -64 | -39.6 | 176.8 | -162.7 | 96 | 0 | 0 | 0 | 111.8 | S33 K34 L35 R41 | S33-L37 WeakPolarHBondContact O-CB 3.4Å; S33-L37 PolarHBondContact O-N 2.97Å; S33-L37 VanDerWaalsContact O-N 3.17Å; K34-L37 PolarHBondContact O-N 2.89Å; L35-L37 VanDerWaalsContact C-N 3.32Å; L35-L37 PolarHBondContact O-N 3Å; L37-R41 WeakPolarHBondContact O-CB 3.37Å; L37-R41 PolarHBondContact O-N 3.47Å |
| 38 | L | 64.9 | Low | 56.9 | Low | 108 Ų | 108 | 122.9 Ų | 122.9 | 57% | 0.565 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -71.1 | -45.6 | 177.8 | -69 | 173.9 | 0 | 0 | 0 | 111.8 | K34 L35 R36 H40 R41 T42 | K34-L38 WeakPolarHBondContact O-CG 3.38Å; K34-L38 PolarHBondContact O-N 3.02Å; L35-L38 PolarHBondContact O-N 3.02Å; R36-L38 VanDerWaalsContact C-N 3.33Å; R36-L38 PolarHBondContact O-N 3.32Å; L38-H40 VanDerWaalsContact C-N 3.33Å; L38-H40 PolarHBondContact O-N 3.05Å; L38-R41 PolarHBondContact O-N 3.46Å; L38-R41 VanDerWaalsContact O-N 3.09Å; L38-T42 PolarHBondContact O-N 3.28Å; L38-T42 VanDerWaalsContact O-N 3.1Å; L38-T42 PolarHBondContact O-OG1 3.02Å |
| 39 | L | 60.6 | Low | 56.9 | Low | 108 Ų | 108 | 127 Ų | 127 | 57% | 0.565 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -63.3 | -35.8 | 177 | -74.3 | 174.1 | 0 | 0 | 0 | 112.9 | L35 R41 T42 P43 | L35-L39 HydrophobicContact CD1-CD1 4.44Å; L35-L39 HydrophobicContact CD1-CG 4.48Å; L35-L39 HydrophobicContact CD2-CD1 4.29Å; L35-L39 HydrophobicContact CG-CD1 3.87Å; L35-L39 HydrophobicContact CG-CG 4.29Å; L35-L39 WeakPolarHBondContact O-CB 3.27Å; L35-L39 WeakPolarHBondContact O-CG 3.21Å; L35-L39 PolarHBondContact O-N 3.44Å; L39-R41 VanDerWaalsContact C-N 3.27Å; L39-R41 PolarHBondContact O-N 3.01Å; L39-T42 WeakPolarHBondContact CA-OG1 3.46Å; L39-T42 PolarHBondContact O-OG1 2.82Å; L39-T42 VanDerWaalsContact O-OG1 3.05Å; L39-P43 WeakPolarHBondContact O-CD 3.46Å |
| 40 | H | 59.3 | Low | 56.8 | Low | 163 Ų | 163 | 126.6 Ų | 126.6 | 76% | 0.755 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -73.2 | -21.9 | 175.6 | -168.8 | -78.6 | 0 | 0 | 0 | 112.2 | R36 L38 P43 | R36-H40 WeakPolarHBondContact O-CB 3.48Å; R36-H40 PolarHBondContact O-N 3.44Å; L38-H40 VanDerWaalsContact C-N 3.33Å; L38-H40 PolarHBondContact O-N 3.05Å; H40-P43 WeakPolarHBondContact O-CD 3.31Å |
| 41 | R | 56.2 | Low | 56.8 | Low | 206 Ų | 206 | 123.2 Ų | 123.2 | 78% | 0.777 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -90.9 | -20.6 | -179.2 | -161.7 | 174.6 | -179.9 | 94.4 | 0.5 | 113.1 | L37 L38 L39 | L37-R41 WeakPolarHBondContact O-CB 3.37Å; L37-R41 PolarHBondContact O-N 3.47Å; L38-R41 PolarHBondContact O-N 3.46Å; L38-R41 VanDerWaalsContact O-N 3.09Å; L39-R41 VanDerWaalsContact C-N 3.27Å; L39-R41 PolarHBondContact O-N 3.01Å |
| 42 | T | 53.8 | Low | 56.7 | Low | 76 Ų | 76 | 119 Ų | 119 | 47% | 0.466 | 62% | 0.623 | S | S | . | * | G | 310 helix | trans | -79.1 | -14.1 | -179 | 35.2 | 0 | 0 | 0 | 0 | 118.4 | L38 L39 L44 | L38-T42 PolarHBondContact O-N 3.28Å; L38-T42 VanDerWaalsContact O-N 3.1Å; L38-T42 PolarHBondContact O-OG1 3.02Å; L39-T42 WeakPolarHBondContact CA-OG1 3.46Å; L39-T42 PolarHBondContact O-OG1 2.82Å; L39-T42 VanDerWaalsContact O-OG1 3.05Å; T42-L44 PolarHBondContact O-N 3.09Å; T42-L44 VanDerWaalsContact O-N 3.11Å |
| 43 | P | 53.2 | Low | 56.8 | Low | 101 Ų | 101 | 123.7 Ų | 123.7 | 66% | 0.656 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -74.2 | -6.4 | -174 | 28.9 | -32 | 0 | 0 | 0 | 114.1 | L39 H40 | L39-P43 WeakPolarHBondContact O-CD 3.46Å; H40-P43 WeakPolarHBondContact O-CD 3.31Å |
| 44 | L | 53.5 | Low | 56.8 | Low | 163 Ų | 163 | 122.9 Ų | 122.9 | 85% | 0.853 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -107.4 | -4.3 | -177 | -83.7 | 169.1 | 0 | 0 | 0 | 115.6 | T42 | T42-L44 PolarHBondContact O-N 3.09Å; T42-L44 VanDerWaalsContact O-N 3.11Å |
| 45 | L | 54.8 | Low | 56.9 | Low | 144 Ų | 144 | 118.8 Ų | 118.8 | 75% | 0.754 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.8 | 10.1 | -176.3 | -140.2 | 71.7 | 0 | 0 | 0 | 114.7 | S47 | L45-S47 VanDerWaalsContact C-N 3.29Å; L45-S47 PolarHBondContact O-N 3.45Å |
| 46 | S | 52.5 | Low | 57.2 | Low | 92 Ų | 92 | 119 Ų | 119 | 64% | 0.643 | 62% | 0.622 | S | S | * | * | trans | -85.6 | 71.4 | 179.4 | -167 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 47 | S | 53.1 | Low | 57.8 | Low | 105 Ų | 105 | 113.7 Ų | 113.7 | 73% | 0.734 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -126 | 96.6 | 170.3 | 173.7 | 0 | 0 | 0 | 0 | 107.7 | L45 Q49 | L45-S47 VanDerWaalsContact C-N 3.29Å; L45-S47 PolarHBondContact O-N 3.45Å; S47-Q49 PolarHBondContact O-N 3.33Å |
| 48 | K | 53.2 | Low | 58.1 | Low | 206 Ų | 206 | 114 Ų | 114 | 90% | 0.896 | 61% | 0.61 | S | S | * | * | S | Bend | trans | 79.2 | -24.9 | 163.8 | -109.1 | 175.5 | 173.8 | -178.3 | 0 | 120.9 | ||
| 49 | Q | 53.5 | Low | 58.5 | Low | 143 Ų | 143 | 114.1 Ų | 114.1 | 67% | 0.668 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -99.6 | -13.9 | -178 | -136.2 | -177.3 | 36.6 | 0 | 0 | 114.9 | S47 S52 | S47-Q49 PolarHBondContact O-N 3.33Å; Q49-S52 PolarHBondContact O-OG 2.97Å |
| 50 | D | 50.9 | Low | 59.1 | Low | 57 Ų | 57 | 113.4 Ų | 113.4 | 31% | 0.305 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -88.4 | -16.4 | -174.3 | -75.4 | -44 | 0 | 0 | 0 | 114.6 | S52 R53 S54 | D50-S52 VanDerWaalsContact C-N 3.26Å; D50-S52 PolarHBondContact O-N 2.94Å; D50-R53 PolarHBondContact O-N 3.28Å; D50-R53 VanDerWaalsContact O-N 3.17Å; D50-S54 WeakPolarHBondContact O-CB 3.45Å; D50-S54 PolarHBondContact O-N 3.39Å; D50-S54 PolarHBondContact O-OG 3Å; D50-S54 VanDerWaalsContact O-OG 3.06Å |
| 51 | A | 52.7 | Low | 59.8 | Low | 71 Ų | 71 | 110.8 Ų | 110.8 | 59% | 0.587 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -62.6 | -32.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S54 S55 | A51-S54 WeakPolarHBondContact CA-OG 3.46Å; A51-S54 PolarHBondContact O-OG 3.42Å; A51-S54 VanDerWaalsContact O-OG 3.1Å; A51-S55 WeakPolarHBondContact O-CB 3.38Å; A51-S55 PolarHBondContact O-N 3.37Å; A51-S55 VanDerWaalsContact O-N 3.16Å; A51-S55 PolarHBondContact O-OG 3.23Å |
| 52 | S | 55.7 | Low | 60.4 | Low | 80 Ų | 80 | 104.2 Ų | 104.2 | 56% | 0.559 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -82.7 | -25 | 177.5 | 58.6 | 0 | 0 | 0 | 0 | 113.4 | Q49 D50 S55 L56 | Q49-S52 PolarHBondContact O-OG 2.97Å; D50-S52 VanDerWaalsContact C-N 3.26Å; D50-S52 PolarHBondContact O-N 2.94Å; S52-S55 WeakPolarHBondContact CA-OG 3.5Å; S52-S55 PolarHBondContact O-OG 3.4Å; S52-L56 PolarHBondContact O-N 3.02Å |
| 53 | R | 58.5 | Low | 61.1 | Low | 168 Ų | 168 | 105.1 Ų | 105.1 | 63% | 0.634 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -82.8 | -36.4 | 174.6 | -76 | -175.5 | 162 | 139 | -1.7 | 111.6 | D50 L56 A57 | D50-R53 PolarHBondContact O-N 3.28Å; D50-R53 VanDerWaalsContact O-N 3.17Å; R53-L56 PolarHBondContact O-N 2.95Å; R53-A57 WeakPolarHBondContact O-CB 3.5Å; R53-A57 PolarHBondContact O-N 3.28Å |
| 54 | S | 60.3 | Low | 61.7 | Low | 57 Ų | 57 | 105.1 Ų | 105.1 | 40% | 0.399 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.8 | -40.1 | 172.3 | 65.4 | 0 | 0 | 0 | 0 | 111 | D50 A51 L56 A57 E58 | D50-S54 WeakPolarHBondContact O-CB 3.45Å; D50-S54 PolarHBondContact O-N 3.39Å; D50-S54 PolarHBondContact O-OG 3Å; D50-S54 VanDerWaalsContact O-OG 3.06Å; A51-S54 WeakPolarHBondContact CA-OG 3.46Å; A51-S54 PolarHBondContact O-OG 3.42Å; A51-S54 VanDerWaalsContact O-OG 3.1Å; S54-L56 VanDerWaalsContact C-N 3.34Å; S54-L56 PolarHBondContact O-N 2.81Å; S54-A57 PolarHBondContact O-N 3.3Å; S54-E58 WeakPolarHBondContact O-CB 3.26Å; S54-E58 WeakPolarHBondContact O-CG 3.26Å; S54-E58 PolarHBondContact O-N 3.09Å |
| 55 | S | 61.7 | Low | 62.2 | Low | 61 Ų | 61 | 102.3 Ų | 102.3 | 43% | 0.427 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.2 | -36.7 | 176.3 | 68.4 | 0 | 0 | 0 | 0 | 112.7 | A51 S52 L59 | A51-S55 WeakPolarHBondContact O-CB 3.38Å; A51-S55 PolarHBondContact O-N 3.37Å; A51-S55 VanDerWaalsContact O-N 3.16Å; A51-S55 PolarHBondContact O-OG 3.23Å; S52-S55 WeakPolarHBondContact CA-OG 3.5Å; S52-S55 PolarHBondContact O-OG 3.4Å; S55-L59 WeakPolarHBondContact O-CB 3.28Å; S55-L59 PolarHBondContact O-N 3.46Å |
| 56 | L | 67.2 | Low | 62.6 | Low | 106 Ų | 106 | 101.2 Ų | 101.2 | 56% | 0.555 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -69.6 | -43 | 175.3 | -169.8 | 160.4 | 0 | 0 | 0 | 110.8 | S52 R53 S54 E58 L59 L60 | S52-L56 PolarHBondContact O-N 3.02Å; R53-L56 PolarHBondContact O-N 2.95Å; S54-L56 VanDerWaalsContact C-N 3.34Å; S54-L56 PolarHBondContact O-N 2.81Å; L56-E58 VanDerWaalsContact C-N 3.33Å; L56-E58 PolarHBondContact O-N 3.08Å; L56-L59 PolarHBondContact O-N 3.4Å; L56-L60 HydrophobicContact CD2-CD1 3.45Å; L56-L60 VanDerWaalsContact CD2-CD1 3.45Å; L56-L60 HydrophobicContact CD2-CG 3.95Å; L56-L60 WeakPolarHBondContact O-CG 3.49Å; L56-L60 PolarHBondContact O-N 3.05Å |
| 57 | A | 73.9 | Confident | 62.8 | Low | 49 Ų | 49 | 102.5 Ų | 102.5 | 41% | 0.405 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63 | -39.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R53 S54 L61 | R53-A57 WeakPolarHBondContact O-CB 3.5Å; R53-A57 PolarHBondContact O-N 3.28Å; S54-A57 PolarHBondContact O-N 3.3Å; A57-L61 WeakPolarHBondContact O-CB 3.36Å; A57-L61 PolarHBondContact O-N 3.03Å |
| 58 | E | 71.1 | Confident | 62.9 | Low | 131 Ų | 131 | 103.8 Ų | 103.8 | 61% | 0.612 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.9 | -44 | 173.7 | -79 | 178.9 | -176.9 | 0 | 0 | 111.6 | S54 L56 L60 L61 S62 | S54-E58 WeakPolarHBondContact O-CB 3.26Å; S54-E58 WeakPolarHBondContact O-CG 3.26Å; S54-E58 PolarHBondContact O-N 3.09Å; L56-E58 VanDerWaalsContact C-N 3.33Å; L56-E58 PolarHBondContact O-N 3.08Å; E58-L60 PolarHBondContact O-N 3.42Å; E58-L61 WeakPolarHBondContact O-CB 3.46Å; E58-L61 PolarHBondContact O-N 3.47Å; E58-L61 VanDerWaalsContact O-N 3.16Å; E58-S62 PolarHBondContact O-N 3.16Å; E58-S62 PolarHBondContact O-OG 2.97Å; E58-S62 VanDerWaalsContact O-OG 3.13Å |
| 59 | L | 72.7 | Confident | 63 | Low | 109 Ų | 109 | 98.7 Ų | 98.7 | 57% | 0.571 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.4 | -40.8 | 178.9 | -164.7 | 130.5 | 0 | 0 | 0 | 112.3 | S55 L56 L61 S62 D63 | S55-L59 WeakPolarHBondContact O-CB 3.28Å; S55-L59 PolarHBondContact O-N 3.46Å; L56-L59 PolarHBondContact O-N 3.4Å; L59-L61 VanDerWaalsContact C-N 3.34Å; L59-S62 PolarHBondContact O-N 3.46Å; L59-D63 PolarHBondContact O-N 3.49Å |
| 60 | L | 73.8 | Confident | 63 | Low | 93 Ų | 93 | 98.6 Ų | 98.6 | 49% | 0.487 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.2 | -34.6 | 173.5 | -69.1 | 179.4 | 0 | 0 | 0 | 112.4 | L56 E58 L64 | L56-L60 HydrophobicContact CD2-CD1 3.45Å; L56-L60 VanDerWaalsContact CD2-CD1 3.45Å; L56-L60 HydrophobicContact CD2-CG 3.95Å; L56-L60 WeakPolarHBondContact O-CG 3.49Å; L56-L60 PolarHBondContact O-N 3.05Å; E58-L60 PolarHBondContact O-N 3.42Å; L60-L64 VanDerWaalsContact O-CG 3.29Å; L60-L64 WeakPolarHBondContact O-CG 3.5Å; L60-L64 PolarHBondContact O-N 3.25Å; L60-L64 VanDerWaalsContact O-N 3.12Å |
| 61 | L | 73.7 | Confident | 63.1 | Low | 108 Ų | 108 | 98.6 Ų | 98.6 | 57% | 0.565 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.7 | -41.2 | 172.9 | -111.5 | 68.7 | 0 | 0 | 0 | 111 | A57 E58 L59 L64 L65 | A57-L61 WeakPolarHBondContact O-CB 3.36Å; A57-L61 PolarHBondContact O-N 3.03Å; E58-L61 WeakPolarHBondContact O-CB 3.46Å; E58-L61 PolarHBondContact O-N 3.47Å; E58-L61 VanDerWaalsContact O-N 3.16Å; L59-L61 VanDerWaalsContact C-N 3.34Å; L61-L64 PolarHBondContact O-N 3.28Å; L61-L65 WeakPolarHBondContact O-CB 3.5Å; L61-L65 WeakPolarHBondContact O-CG 3.45Å; L61-L65 PolarHBondContact O-N 3.41Å |
| 62 | S | 67.8 | Low | 63 | Low | 69 Ų | 69 | 100.4 Ų | 100.4 | 48% | 0.483 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62 | -44.8 | 176 | -64.7 | 0 | 0 | 0 | 0 | 111.9 | E58 L59 L64 L65 Q66 | E58-S62 PolarHBondContact O-N 3.16Å; E58-S62 PolarHBondContact O-OG 2.97Å; E58-S62 VanDerWaalsContact O-OG 3.13Å; L59-S62 PolarHBondContact O-N 3.46Å; S62-L64 PolarHBondContact O-N 2.7Å; S62-L65 PolarHBondContact O-N 3.37Å; S62-Q66 VanDerWaalsContact O-CB 3.27Å; S62-Q66 WeakPolarHBondContact O-CB 3.43Å; S62-Q66 PolarHBondContact O-N 3.03Å |
| 63 | D | 69.6 | Low | 62.8 | Low | 94 Ų | 94 | 103.8 Ų | 103.8 | 50% | 0.503 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.9 | -41.6 | 176.5 | -86.6 | 0.8 | 0 | 0 | 0 | 112.1 | L59 Q66 M67 | L59-D63 PolarHBondContact O-N 3.49Å; D63-Q66 PolarHBondContact O-N 2.97Å; D63-M67 WeakPolarHBondContact O-CB 3.44Å; D63-M67 PolarHBondContact O-N 3.47Å |
| 64 | L | 66.7 | Low | 62.4 | Low | 102 Ų | 102 | 104.2 Ų | 104.2 | 53% | 0.534 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68.2 | -40.4 | 177.4 | -71.1 | 177.7 | 0 | 0 | 0 | 112.4 | L60 L61 S62 Q66 M67 E68 | L60-L64 VanDerWaalsContact O-CG 3.29Å; L60-L64 WeakPolarHBondContact O-CG 3.5Å; L60-L64 PolarHBondContact O-N 3.25Å; L60-L64 VanDerWaalsContact O-N 3.12Å; L61-L64 PolarHBondContact O-N 3.28Å; S62-L64 PolarHBondContact O-N 2.7Å; L64-Q66 VanDerWaalsContact C-N 3.33Å; L64-M67 HydrophobicContact CD2-CE 3.81Å; L64-M67 PolarHBondContact O-N 3.33Å; L64-E68 PolarHBondContact O-N 3.28Å |
| 65 | L | 63.4 | Low | 61.9 | Low | 104 Ų | 104 | 108.7 Ų | 108.7 | 55% | 0.545 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67.6 | -35.3 | 176 | -71.6 | 175 | 0 | 0 | 0 | 111.7 | L61 S62 E68 N69 | L61-L65 WeakPolarHBondContact O-CB 3.5Å; L61-L65 WeakPolarHBondContact O-CG 3.45Å; L61-L65 PolarHBondContact O-N 3.41Å; S62-L65 PolarHBondContact O-N 3.37Å; L65-E68 PolarHBondContact O-N 3Å; L65-N69 PolarHBondContact O-N 3.46Å |
| 66 | Q | 63.5 | Low | 61.2 | Low | 120 Ų | 120 | 108.4 Ų | 108.4 | 56% | 0.561 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -68.5 | -41 | 176.6 | -172.5 | 161.9 | -5.9 | 0 | 0 | 111.5 | S62 D63 L64 N69 E70 | S62-Q66 VanDerWaalsContact O-CB 3.27Å; S62-Q66 WeakPolarHBondContact O-CB 3.43Å; S62-Q66 PolarHBondContact O-N 3.03Å; D63-Q66 PolarHBondContact O-N 2.97Å; L64-Q66 VanDerWaalsContact C-N 3.33Å; Q66-N69 WeakPolarHBondContact O-CB 3.32Å; Q66-N69 PolarHBondContact O-N 2.98Å; Q66-E70 PolarHBondContact O-N 3.33Å |
| 67 | M | 57 | Low | 60 | Low | 119 Ų | 119 | 114.1 Ų | 114.1 | 59% | 0.586 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.1 | -38 | 173.6 | -177.5 | -175.9 | 63.3 | 0 | 0 | 112.7 | D63 L64 N69 E70 A71 | D63-M67 WeakPolarHBondContact O-CB 3.44Å; D63-M67 PolarHBondContact O-N 3.47Å; L64-M67 HydrophobicContact CD2-CE 3.81Å; L64-M67 PolarHBondContact O-N 3.33Å; M67-N69 VanDerWaalsContact C-N 3.31Å; M67-E70 PolarHBondContact O-N 3.41Å; M67-A71 PolarHBondContact O-N 2.96Å; M67-A71 VanDerWaalsContact O-N 3.09Å |
| 68 | E | 54.1 | Low | 58.4 | Low | 132 Ų | 132 | 115.1 Ų | 115.1 | 62% | 0.617 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -63.4 | -39.4 | 174 | -172.3 | 177.9 | 126.5 | 0 | 0 | 111.3 | L64 L65 A71 L72 | L64-E68 PolarHBondContact O-N 3.28Å; L65-E68 PolarHBondContact O-N 3Å; E68-A71 PolarHBondContact O-N 3.32Å; E68-L72 WeakPolarHBondContact O-CB 3.47Å; E68-L72 PolarHBondContact O-N 3.34Å |
| 69 | N | 55.5 | Low | 57.3 | Low | 99 Ų | 99 | 116.3 Ų | 116.3 | 53% | 0.529 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -65.7 | -42.6 | 175.8 | -118.3 | 6.1 | 0 | 0 | 0 | 112.1 | L65 Q66 M67 A71 L72 E73 | L65-N69 PolarHBondContact O-N 3.46Å; Q66-N69 WeakPolarHBondContact O-CB 3.32Å; Q66-N69 PolarHBondContact O-N 2.98Å; M67-N69 VanDerWaalsContact C-N 3.31Å; N69-A71 VanDerWaalsContact C-N 3.3Å; N69-A71 PolarHBondContact O-N 2.99Å; N69-L72 PolarHBondContact O-N 2.96Å; N69-E73 VanDerWaalsContact O-CG 3.26Å; N69-E73 WeakPolarHBondContact O-CG 3.48Å; N69-E73 PolarHBondContact O-N 3.48Å |
| 70 | E | 54.2 | Low | 56.1 | Low | 141 Ų | 141 | 116.7 Ų | 116.7 | 66% | 0.659 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -65.7 | -31.9 | 177 | -69.9 | -169.5 | 167.8 | 0 | 0 | 112.8 | Q66 M67 E74 | Q66-E70 PolarHBondContact O-N 3.33Å; M67-E70 PolarHBondContact O-N 3.41Å; E70-E74 PolarHBondContact O-N 2.96Å |
| 71 | A | 52.6 | Low | 55.1 | Low | 58 Ų | 58 | 120.8 Ų | 120.8 | 48% | 0.479 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -74.9 | -32.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | M67 E68 N69 | M67-A71 PolarHBondContact O-N 2.96Å; M67-A71 VanDerWaalsContact O-N 3.09Å; E68-A71 PolarHBondContact O-N 3.32Å; N69-A71 VanDerWaalsContact C-N 3.3Å; N69-A71 PolarHBondContact O-N 2.99Å |
| 72 | L | 49.6 | Very low | 53.7 | Low | 109 Ų | 109 | 118.8 Ų | 118.8 | 57% | 0.571 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -74.7 | -33.2 | 177.7 | -169.9 | 65.9 | 0 | 0 | 0 | 112.2 | E68 N69 E74 D75 G76 | E68-L72 WeakPolarHBondContact O-CB 3.47Å; E68-L72 PolarHBondContact O-N 3.34Å; N69-L72 PolarHBondContact O-N 2.96Å; L72-E74 VanDerWaalsContact C-N 3.31Å; L72-D75 PolarHBondContact O-N 3.38Å; L72-G76 PolarHBondContact O-N 3.32Å |
| 73 | E | 51.7 | Low | 52.3 | Low | 151 Ų | 151 | 123.4 Ų | 123.4 | 71% | 0.706 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -71.2 | -24.4 | 174 | -67.1 | -74.2 | 118.2 | 0 | 0 | 112.3 | N69 D75 | N69-E73 VanDerWaalsContact O-CG 3.26Å; N69-E73 WeakPolarHBondContact O-CG 3.48Å; N69-E73 PolarHBondContact O-N 3.48Å; E73-D75 VanDerWaalsContact C-N 3.34Å |
| 74 | E | 51.6 | Low | 51.5 | Low | 176 Ų | 176 | 123.8 Ų | 123.8 | 82% | 0.822 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -70.4 | -29.9 | 172.3 | -157.8 | -148.2 | 154.1 | 0 | 0 | 112.2 | E70 L72 | E70-E74 PolarHBondContact O-N 2.96Å; L72-E74 VanDerWaalsContact C-N 3.31Å |
| 75 | D | 48.5 | Very low | 50.6 | Low | 152 Ų | 152 | 125.9 Ų | 125.9 | 81% | 0.813 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -102.1 | 8 | -171.1 | -141.7 | 15.7 | 0 | 0 | 0 | 113.6 | L72 E73 | L72-D75 PolarHBondContact O-N 3.38Å; E73-D75 VanDerWaalsContact C-N 3.34Å |
| 76 | G | 48.4 | Very low | 49.9 | Very low | 55 Ų | 55 | 127.5 Ų | 127.5 | 57% | 0.567 | 69% | 0.694 | S | S | * | * | trans | -132.6 | 46.2 | -163.9 | 0 | 0 | 0 | 0 | 0 | 117 | L72 G78 | L72-G76 PolarHBondContact O-N 3.32Å; G76-G78 PolarHBondContact O-N 3.47Å | ||
| 77 | F | 40.8 | Very low | 49.4 | Very low | 225 Ų | 225 | 128.3 Ų | 128.3 | 99% | 0.987 | 70% | 0.7 | S | S | * | * | trans | -84.3 | 100 | 168.5 | -126.1 | -90.3 | 0 | 0 | 0 | 112 | ||||
| 78 | G | 39.8 | Very low | 49.2 | Very low | 70 Ų | 70 | 131.5 Ų | 131.5 | 72% | 0.722 | 71% | 0.706 | S | S | * | * | trans | 153.5 | 83.5 | 155.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | G76 | G76-G78 PolarHBondContact O-N 3.47Š| ||
| 79 | L | 49.7 | Very low | 49.3 | Very low | 156 Ų | 156 | 129.2 Ų | 129.2 | 82% | 0.817 | 70% | 0.701 | S | S | * | * | trans | -65.4 | 161.1 | 164.2 | -150.1 | 80.4 | 0 | 0 | 0 | 111.9 | E81 | L79-E81 HydrophobicContact CD2-CB 4.25Š| ||
| 80 | P | 46.3 | Very low | 49.2 | Very low | 117 Ų | 117 | 129.7 Ų | 129.7 | 76% | 0.76 | 70% | 0.703 | S | S | * | * | -144.5 | 131.2 | 85.6 | 32.8 | -13.2 | 0 | 0 | 0 | 113.7 | |||||
| 81 | E | 52.4 | Low | 49.4 | Very low | 180 Ų | 180 | 129.5 Ų | 129.5 | 84% | 0.841 | 71% | 0.706 | S | S | * | * | 53.2 | 105.4 | 96.3 | -159.5 | -173.2 | 177.1 | 0 | 0 | 115.1 | L79 | L79-E81 HydrophobicContact CD2-CB 4.25Š| |||
| 82 | G | 44.1 | Very low | 49.5 | Very low | 65 Ų | 65 | 133.3 Ų | 133.3 | 67% | 0.67 | 71% | 0.714 | S | S | * | * | trans | 154.9 | 111.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 83 | E | 40 | Very low | 49.8 | Very low | 167 Ų | 167 | 136.9 Ų | 136.9 | 78% | 0.78 | 72% | 0.72 | S | S | * | * | trans | 78.9 | 101.8 | 153.1 | -47.9 | -51.4 | 97 | 0 | 0 | 122.3 | ||||
| 84 | P | 51.3 | Low | 50.1 | Low | 101 Ų | 101 | 133.1 Ų | 133.1 | 66% | 0.656 | 72% | 0.715 | S | S | * | * | trans | -95.7 | 5.4 | 175.3 | 35.6 | -34 | 0 | 0 | 0 | 117.1 | ||||
| 85 | E | 49.2 | Very low | 50.3 | Low | 146 Ų | 146 | 129 Ų | 129 | 68% | 0.682 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -82.3 | -29.2 | -167.7 | -80.1 | -87.1 | 121.4 | 0 | 0 | 115.3 | I87 | E85-I87 VanDerWaalsContact C-N 3.35Å; E85-I87 PolarHBondContact O-N 2.93Å |
| 86 | D | 48.5 | Very low | 50.6 | Low | 139 Ų | 139 | 126.8 Ų | 126.8 | 74% | 0.743 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -76.6 | -21.1 | -169.6 | -143.2 | 15.9 | 0 | 0 | 0 | 113.5 | ||
| 87 | I | 53.3 | Low | 51 | Low | 137 Ų | 137 | 128.9 Ų | 128.9 | 70% | 0.703 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -80.3 | -22.5 | -172.9 | -56.4 | 169.8 | 0 | 0 | 0 | 112 | E85 | E85-I87 VanDerWaalsContact C-N 3.35Å; E85-I87 PolarHBondContact O-N 2.93Å |
| 88 | R | 51.5 | Low | 51.6 | Low | 185 Ų | 185 | 121.4 Ų | 121.4 | 70% | 0.698 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -74.5 | -36.3 | -176.3 | -80.3 | 177.7 | 63.7 | 161 | -2.8 | 113 | D90 L91 | R88-D90 PolarHBondContact O-N 2.99Å; R88-L91 PolarHBondContact O-N 3.39Å |
| 89 | V | 55.6 | Low | 52.1 | Low | 85 Ų | 85 | 124.3 Ų | 124.3 | 52% | 0.515 | 71% | 0.706 | S | S | . | * | H | α-helix | trans | -72.1 | -29.4 | -172.6 | -176.8 | 0 | 0 | 0 | 0 | 112.7 | E92 | V89-E92 VanDerWaalsContact O-CG 3.26Å; V89-E92 WeakPolarHBondContact O-CG 3.41Å |
| 90 | D | 54.8 | Low | 52.6 | Low | 109 Ų | 109 | 124.5 Ų | 124.5 | 58% | 0.583 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -78.3 | -23.5 | 179.5 | -82.9 | -28.7 | 0 | 0 | 0 | 113.6 | R88 | R88-D90 PolarHBondContact O-N 2.99Å |
| 91 | L | 58.3 | Low | 52.9 | Low | 136 Ų | 136 | 127.1 Ų | 127.1 | 71% | 0.712 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -74.2 | -34.5 | -177.4 | -169.2 | 63.1 | 0 | 0 | 0 | 112.5 | R88 | R88-L91 PolarHBondContact O-N 3.39Å |
| 92 | E | 54.6 | Low | 52.8 | Low | 139 Ų | 139 | 122.8 Ų | 122.8 | 65% | 0.65 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -74.6 | -24.5 | -178.9 | 42.8 | -163.8 | 118.5 | 0 | 0 | 113.3 | V89 | V89-E92 VanDerWaalsContact O-CG 3.26Å; V89-E92 WeakPolarHBondContact O-CG 3.41Å |
| 93 | R | 56.3 | Low | 53.4 | Low | 183 Ų | 183 | 126.2 Ų | 126.2 | 69% | 0.691 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -73.3 | -36 | 175.2 | -171.5 | 175.4 | -70.9 | 165.3 | 0.8 | 112.7 | S96 | R93-S96 PolarHBondContact O-OG 3Å |
| 94 | A | 56.5 | Low | 54.2 | Low | 72 Ų | 72 | 129.8 Ų | 129.8 | 60% | 0.595 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -73.5 | -26.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | S96 | A94-S96 VanDerWaalsContact C-N 3.26Å; A94-S96 PolarHBondContact O-N 3.34Å |
| 95 | A | 55.8 | Low | 54 | Low | 90 Ų | 90 | 134 Ų | 134 | 74% | 0.744 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -10.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 96 | S | 54.6 | Low | 54.7 | Low | 105 Ų | 105 | 139 Ų | 139 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -3.1 | -173.6 | 65.1 | 0 | 0 | 0 | 0 | 115.5 | R93 A94 | R93-S96 PolarHBondContact O-OG 3Å; A94-S96 VanDerWaalsContact C-N 3.26Å; A94-S96 PolarHBondContact O-N 3.34Å |
| 97 | S | 57.4 | Low | 54.9 | Low | 99 Ų | 99 | 142 Ų | 142 | 69% | 0.692 | 76% | 0.755 | S | S | * | * | trans | -127.7 | 62.7 | -172.4 | 62.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 98 | G | 54.4 | Low | 55 | Low | 68 Ų | 68 | 140.6 Ų | 140.6 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | trans | -82.3 | 142.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 99 | P | 49.7 | Very low | 55.3 | Low | 131 Ų | 131 | 134.9 Ų | 134.9 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | trans | -104.6 | 93.8 | 160.7 | 27.2 | -12.7 | 0 | 0 | 0 | 110.2 | ||||
| 100 | L | 60.1 | Low | 55.5 | Low | 160 Ų | 160 | 137.2 Ų | 137.2 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | trans | -105.7 | 94.8 | 165.8 | -75.3 | -178.8 | 0 | 0 | 0 | 108.9 | ||||
| 101 | L | 53.1 | Low | 55.7 | Low | 173 Ų | 173 | 140.6 Ų | 140.6 | 91% | 0.906 | 79% | 0.79 | S | S | * | * | trans | -157.4 | 94.4 | 158.3 | -74.3 | -170.2 | 0 | 0 | 0 | 113.7 | ||||
| 102 | A | 50.5 | Low | 55.6 | Low | 89 Ų | 89 | 141.1 Ų | 141.1 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | trans | 59.1 | 147.9 | 137.3 | 0 | 0 | 0 | 0 | 0 | 123.6 | R104 | A102-R104 PolarHBondContact O-N 3.11Š| ||
| 103 | P | 55.8 | Low | 55.6 | Low | 136 Ų | 136 | 142.2 Ų | 142.2 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 118.9 | 175.7 | -18.5 | 31.9 | 0 | 0 | 0 | 112.9 | ||
| 104 | R | 56.7 | Low | 55.4 | Low | 243 Ų | 243 | 140.6 Ų | 140.6 | 92% | 0.917 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 122.9 | -176.3 | -145.4 | 176.5 | 174.2 | 95 | 0.5 | 111.3 | A102 | A102-R104 PolarHBondContact O-N 3.11Š|
| 105 | E | 47.2 | Very low | 55.2 | Low | 190 Ų | 190 | 147.2 Ų | 147.2 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 133.7 | 176.4 | -70 | -179.9 | 131.8 | 0 | 0 | 113.1 | K107 | E105-K107 PolarHBondContact O-N 3.41Š|
| 106 | R | 63.2 | Low | 55.3 | Low | 250 Ų | 250 | 151.2 Ų | 151.2 | 94% | 0.943 | 81% | 0.806 | S | S | * | * | trans | -90.7 | 88.2 | 170.5 | -73.3 | -170.4 | 171.5 | 92.9 | -0.9 | 110.7 | ||||
| 107 | K | 52.8 | Low | 55.5 | Low | 203 Ų | 203 | 150 Ų | 150 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | trans | -162.4 | 85.7 | 149.9 | -131.3 | 179.7 | -170 | -167.9 | 0 | 111.9 | E105 | E105-K107 PolarHBondContact O-N 3.41Š| ||
| 108 | A | 56.9 | Low | 55.5 | Low | 106 Ų | 106 | 154.2 Ų | 154.2 | 88% | 0.876 | 80% | 0.8 | S | S | * | * | trans | -97.5 | 109.9 | 151.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 109 | G | 56.4 | Low | 55.8 | Low | 65 Ų | 65 | 158 Ų | 158 | 67% | 0.67 | 81% | 0.81 | S | S | * | * | trans | -64.1 | 157.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K111 | G109-K111 PolarHBondContact O-N 3.3Š| ||
| 110 | C | 60.2 | Low | 55.9 | Low | 135 Ų | 135 | 157.3 Ų | 157.3 | 91% | 0.912 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -38.5 | 102.7 | 172.8 | -73.7 | 0 | 0 | 0 | 0 | 113.5 | ||
| 111 | K | 59.6 | Low | 55.4 | Low | 179 Ų | 179 | 158.8 Ų | 158.8 | 78% | 0.778 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -163.4 | -17.9 | 149.3 | -152.5 | 133 | 170.9 | 174.5 | 0 | 116.3 | G109 | G109-K111 PolarHBondContact O-N 3.3Š|
| 112 | N | 56 | Low | 55.6 | Low | 147 Ų | 147 | 158.1 Ų | 158.1 | 79% | 0.786 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -122.5 | 14.1 | -178.6 | -66.8 | -52.2 | 0 | 0 | 0 | 114.7 | F114 | N112-F114 PolarHBondContact O-N 3.46Š|
| 113 | F | 54.3 | Low | 55.8 | Low | 162 Ų | 162 | 161.7 Ų | 161.7 | 71% | 0.711 | 83% | 0.83 | S | S | * | * | G | 310 helix | trans | -77.9 | 18.7 | 162.2 | -131.1 | -90.2 | 0 | 0 | 0 | 111.9 | W115 | F113-W115 VanDerWaalsContact C-N 3.26Å; F113-W115 PolarHBondContact O-N 2.99Å |
| 114 | F | 51.1 | Low | 55.8 | Low | 149 Ų | 149 | 163.1 Ų | 163.1 | 65% | 0.654 | 83% | 0.827 | S | S | * | * | G | 310 helix | trans | -80.2 | 1 | 179.9 | -159.4 | -91.8 | 0 | 0 | 0 | 113.3 | N112 K116 T117 | N112-F114 PolarHBondContact O-N 3.46Å; F114-K116 PolarHBondContact O-N 3.35Å; F114-T117 WeakPolarHBondContact CE1-OG1 3.27Å; F114-T117 VanDerWaalsContact CZ-OG1 3.31Å; F114-T117 WeakPolarHBondContact CZ-OG1 3.25Å; F114-T117 PolarHBondContact O-N 3.41Å |
| 115 | W | 53.3 | Low | 55.8 | Low | 211 Ų | 211 | 158.4 Ų | 158.4 | 80% | 0.799 | 82% | 0.822 | S | S | * | * | G | 310 helix | trans | -67.2 | 4 | 164.5 | 64.4 | -52.6 | 0 | 0 | 0 | 113.3 | F113 | F113-W115 VanDerWaalsContact C-N 3.26Å; F113-W115 PolarHBondContact O-N 2.99Å |
| 116 | K | 58.8 | Low | 56.3 | Low | 175 Ų | 175 | 156.4 Ų | 156.4 | 76% | 0.761 | 82% | 0.818 | S | S | * | * | G | 310 helix | trans | -108.3 | 37.5 | 171.7 | -151.6 | -178.9 | -168.4 | 178.8 | 0 | 113.2 | F114 | F114-K116 PolarHBondContact O-N 3.35Š|
| 117 | T | 58.6 | Low | 55.8 | Low | 78 Ų | 78 | 150.2 Ų | 150.2 | 48% | 0.479 | 81% | 0.809 | S | S | . | * | S | Bend | trans | -159.8 | 91.8 | 164.2 | 42.7 | 0 | 0 | 0 | 0 | 109.3 | F114 | F114-T117 WeakPolarHBondContact CE1-OG1 3.27Å; F114-T117 VanDerWaalsContact CZ-OG1 3.31Å; F114-T117 WeakPolarHBondContact CZ-OG1 3.25Å; F114-T117 PolarHBondContact O-N 3.41Å |
| 118 | F | 55.8 | Low | 56.1 | Low | 188 Ų | 188 | 146.4 Ų | 146.4 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | S | Bend | trans | 165.1 | 24.3 | 145.4 | -117.5 | -90 | 0 | 0 | 0 | 116.4 | ||
| 119 | T | 61.1 | Low | 56 | Low | 148 Ų | 148 | 149.5 Ų | 149.5 | 91% | 0.908 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -126.1 | 37.5 | 177.1 | 65 | 0 | 0 | 0 | 0 | 114.7 | ||
| 120 | S | 53 | Low | 55.9 | Low | 116 Ų | 116 | 156.6 Ų | 156.6 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | trans | -133.7 | 96.8 | 149.3 | 76.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 121 | C | 49.7 | Very low | 55.6 | Low | 191 Ų | 191 | 158.5 Ų | 158.5 | 100% | 1.291 | 80% | 0.8 | S | S | * | * | trans | -106.3 | 0 | 149 | -68.7 | 0 | 0 | 0 | 0 | 106.1 |
Retrieved 121 of 121 residues in 175.8 ms
(Link to these results)