| 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 | 51.5 | Low | 67.3 | Low | 175 Ų | 175 | 96.8 Ų | 96.8 | 86% | 0.862 | 51% | 0.513 | S | S | * | . | 0 | -27.8 | 0 | -64.8 | -90.6 | -171.2 | 0 | 0 | 109.5 | T3 V4 L5 | M1-T3 PolarHBondContact O-N 2.78Å; M1-V4 PolarHBondContact O-N 2.92Å; M1-L5 PolarHBondContact O-N 3.43Å | |||
| 2 | E | 61.7 | Low | 67.8 | Low | 140 Ų | 140 | 98.8 Ų | 98.8 | 65% | 0.654 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.8 | -36.7 | -179 | -59.1 | 102.3 | 109.8 | 0 | 0 | 114.5 | V4 L5 L6 | E2-V4 PolarHBondContact O-N 3.33Å; E2-L5 CarbonylContact O-C 3.56Å; E2-L5 PolarHBondContact O-N 3.2Å; E2-L6 WeakPolarHBondContact O-CB 3.35Å; E2-L6 VanDerWaalsContact O-CG 3.24Å; E2-L6 WeakPolarHBondContact O-CG 3.2Å; E2-L6 PolarHBondContact O-N 3.41Å |
| 3 | T | 61.2 | Low | 68.6 | Low | 98 Ų | 98 | 98.9 Ų | 98.9 | 60% | 0.601 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.4 | -34.4 | -177.8 | 54.3 | 0 | 0 | 0 | 0 | 113.6 | M1 L6 F7 | M1-T3 PolarHBondContact O-N 2.78Å; T3-L6 PolarHBondContact O-N 3.38Å; T3-F7 PolarHBondContact O-N 3.21Å |
| 4 | V | 69 | Low | 68.6 | Low | 30 Ų | 30 | 96.8 Ų | 96.8 | 18% | 0.182 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -69.5 | -41.8 | 173.6 | 177 | 0 | 0 | 0 | 0 | 109.9 | M1 E2 L6 F7 L8 L58 | M1-V4 PolarHBondContact O-N 2.92Å; E2-V4 PolarHBondContact O-N 3.33Å; V4-L6 VanDerWaalsContact C-N 3.3Å; V4-L6 PolarHBondContact O-N 2.95Å; V4-F7 PolarHBondContact O-N 3.5Å; V4-L8 HydrophobicContact CG1-CD1 3.86Å; V4-L8 HydrophobicContact CG1-CG 4.3Å; V4-L8 WeakPolarHBondContact O-CB 3.24Å; V4-L8 WeakPolarHBondContact O-CG 3.45Å; V4-L8 PolarHBondContact O-N 3.22Å; V4-L58 HydrophobicContact CG1-CD1 4.46Å |
| 5 | L | 67.5 | Low | 68.4 | Low | 110 Ų | 110 | 94.1 Ų | 94.1 | 58% | 0.576 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.1 | -34.8 | 174.2 | -65.8 | 172.9 | 0 | 0 | 0 | 112.1 | M1 E2 S9 | M1-L5 PolarHBondContact O-N 3.43Å; E2-L5 CarbonylContact O-C 3.56Å; E2-L5 PolarHBondContact O-N 3.2Å; L5-S9 WeakPolarHBondContact O-CB 3.24Å; L5-S9 PolarHBondContact O-N 3.11Å; L5-S9 PolarHBondContact O-OG 3.37Å |
| 6 | L | 70.1 | Confident | 68.4 | Low | 113 Ų | 113 | 92.1 Ų | 92.1 | 59% | 0.592 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -69 | -41.5 | 173.9 | -71.5 | 175.2 | 0 | 0 | 0 | 111.9 | E2 T3 V4 S9 S10 | E2-L6 WeakPolarHBondContact O-CB 3.35Å; E2-L6 VanDerWaalsContact O-CG 3.24Å; E2-L6 WeakPolarHBondContact O-CG 3.2Å; E2-L6 PolarHBondContact O-N 3.41Å; T3-L6 PolarHBondContact O-N 3.38Å; V4-L6 VanDerWaalsContact C-N 3.3Å; V4-L6 PolarHBondContact O-N 2.95Å; L6-S9 VanDerWaalsContact CA-OG 3.3Å; L6-S9 WeakPolarHBondContact CA-OG 3.3Å; L6-S9 PolarHBondContact O-OG 2.83Å; L6-S9 VanDerWaalsContact O-OG 3.07Å; L6-S10 VanDerWaalsContact O-CB 3.24Å; L6-S10 WeakPolarHBondContact O-CB 3.21Å; L6-S10 PolarHBondContact O-N 3.45Å |
| 7 | F | 69.1 | Low | 68.3 | Low | 155 Ų | 155 | 91 Ų | 91 | 68% | 0.68 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.3 | -45.6 | 173.3 | -102.9 | -84 | 0 | 0 | 0 | 111.7 | T3 V4 L11 | T3-F7 PolarHBondContact O-N 3.21Å; V4-F7 PolarHBondContact O-N 3.5Å; F7-L11 WeakPolarHBondContact O-CB 3.1Å; F7-L11 PolarHBondContact O-N 2.93Å |
| 8 | L | 67.4 | Low | 67.8 | Low | 49 Ų | 49 | 94.6 Ų | 94.6 | 26% | 0.257 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.8 | -40.3 | 179.1 | -67.5 | 169.9 | 0 | 0 | 0 | 112.2 | V4 L11 L12 L58 | V4-L8 HydrophobicContact CG1-CD1 3.86Å; V4-L8 HydrophobicContact CG1-CG 4.3Å; V4-L8 WeakPolarHBondContact O-CB 3.24Å; V4-L8 WeakPolarHBondContact O-CG 3.45Å; V4-L8 PolarHBondContact O-N 3.22Å; L8-L11 PolarHBondContact O-N 2.89Å; L8-L12 WeakPolarHBondContact O-CB 3.4Å; L8-L12 PolarHBondContact O-N 2.85Å; L8-L58 HydrophobicContact CD1-CD1 3.49Å; L8-L58 VanDerWaalsContact CD1-CD1 3.49Å; L8-L58 HydrophobicContact CD1-CD2 4.35Å; L8-L58 HydrophobicContact CD2-CB 4.47Å; L8-L58 HydrophobicContact CD2-CD1 3.92Å; L8-L58 HydrophobicContact CD2-CD2 4.28Å; L8-L58 HydrophobicContact CD2-CG 4.45Å; L8-L58 HydrophobicContact CG-CD1 4.23Å |
| 9 | S | 73.5 | Confident | 67.4 | Low | 54 Ų | 54 | 92.9 Ų | 92.9 | 38% | 0.378 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68.9 | -41.8 | 176.8 | 54.2 | 0 | 0 | 0 | 0 | 111.9 | L5 L6 L11 L12 V13 | L5-S9 WeakPolarHBondContact O-CB 3.24Å; L5-S9 PolarHBondContact O-N 3.11Å; L5-S9 PolarHBondContact O-OG 3.37Å; L6-S9 VanDerWaalsContact CA-OG 3.3Å; L6-S9 WeakPolarHBondContact CA-OG 3.3Å; L6-S9 PolarHBondContact O-OG 2.83Å; L6-S9 VanDerWaalsContact O-OG 3.07Å; S9-L11 VanDerWaalsContact C-N 3.31Å; S9-L11 PolarHBondContact O-N 3.42Å; S9-L12 PolarHBondContact O-N 2.93Å; S9-V13 WeakPolarHBondContact O-CB 3.35Å; S9-V13 WeakPolarHBondContact O-CG2 3.29Å; S9-V13 PolarHBondContact O-N 3.44Å |
| 10 | S | 79 | Confident | 66.8 | Low | 71 Ų | 71 | 96 Ų | 96 | 50% | 0.497 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.8 | -43.5 | 173.2 | -173.4 | 0 | 0 | 0 | 0 | 111 | L6 V13 C14 | L6-S10 VanDerWaalsContact O-CB 3.24Å; L6-S10 WeakPolarHBondContact O-CB 3.21Å; L6-S10 PolarHBondContact O-N 3.45Å; S10-V13 PolarHBondContact O-N 3.43Å; S10-C14 PolarHBondContact O-N 2.82Å; S10-C14 PolarHBondContact O-SG 2.72Å |
| 11 | L | 70.8 | Confident | 66.2 | Low | 70 Ų | 70 | 96.8 Ų | 96.8 | 37% | 0.366 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -72.9 | -35.1 | -177.9 | -158.8 | 50.5 | 0 | 0 | 0 | 111.7 | F7 L8 S9 C14 V15 M54 | F7-L11 WeakPolarHBondContact O-CB 3.1Å; F7-L11 PolarHBondContact O-N 2.93Å; L8-L11 PolarHBondContact O-N 2.89Å; S9-L11 VanDerWaalsContact C-N 3.31Å; S9-L11 PolarHBondContact O-N 3.42Å; L11-C14 PolarHBondContact O-N 3.07Å; L11-V15 WeakPolarHBondContact O-CB 3.41Å; L11-V15 VanDerWaalsContact O-CG2 3.26Å; L11-V15 WeakPolarHBondContact O-CG2 3.13Å; L11-V15 PolarHBondContact O-N 3.44Å; L11-M54 HydrophobicContact CB-CE 3.85Å; L11-M54 HydrophobicContact CD1-SD 4.46Å; L11-M54 HydrophobicContact CD2-CE 3.33Å; L11-M54 HydrophobicContact CD2-SD 3.1Å; L11-M54 WeakPolarHBondContact CD2-SD 3.19Å; L11-M54 HydrophobicContact CG-CE 3.32Å; L11-M54 HydrophobicContact CG-SD 3.52Å; L11-M54 VanDerWaalsContact CG-SD 3.52Å |
| 12 | L | 73.3 | Confident | 66.2 | Low | 121 Ų | 121 | 92.1 Ų | 92.1 | 63% | 0.634 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.4 | -41.7 | 170.7 | -172.5 | 76.6 | 0 | 0 | 0 | 111.6 | L8 S9 V15 A16 | L8-L12 WeakPolarHBondContact O-CB 3.4Å; L8-L12 PolarHBondContact O-N 2.85Å; S9-L12 PolarHBondContact O-N 2.93Å; L12-V15 PolarHBondContact O-N 3.42Å; L12-A16 VanDerWaalsContact O-CB 3.27Å; L12-A16 WeakPolarHBondContact O-CB 3.48Å; L12-A16 PolarHBondContact O-N 3.19Å |
| 13 | V | 77.7 | Confident | 65.9 | Low | 100 Ų | 100 | 91.6 Ų | 91.6 | 61% | 0.606 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65 | -42.7 | 175.2 | 166 | 0 | 0 | 0 | 0 | 111 | S9 S10 V15 A16 A17 | S9-V13 WeakPolarHBondContact O-CB 3.35Å; S9-V13 WeakPolarHBondContact O-CG2 3.29Å; S9-V13 PolarHBondContact O-N 3.44Å; S10-V13 PolarHBondContact O-N 3.43Å; V13-V15 PolarHBondContact O-N 2.85Å; V13-A16 PolarHBondContact O-N 3.47Å; V13-A17 WeakPolarHBondContact O-CB 3.48Å; V13-A17 PolarHBondContact O-N 2.79Å |
| 14 | C | 68.2 | Low | 65.7 | Low | 69 Ų | 69 | 95.3 Ų | 95.3 | 47% | 0.466 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61 | -43.5 | 174.5 | -65.9 | 0 | 0 | 0 | 0 | 111.9 | S10 L11 E18 | S10-C14 PolarHBondContact O-N 2.82Å; S10-C14 PolarHBondContact O-SG 2.72Å; L11-C14 PolarHBondContact O-N 3.07Å; C14-E18 WeakPolarHBondContact O-CG 3.27Å; C14-E18 PolarHBondContact O-N 3.35Å |
| 15 | V | 65.9 | Low | 64.9 | Low | 57 Ų | 57 | 100.5 Ų | 100.5 | 35% | 0.345 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -69.2 | -40.2 | 178.4 | 170.2 | 0 | 0 | 0 | 0 | 111.6 | L11 L12 V13 A17 E18 S19 | L11-V15 WeakPolarHBondContact O-CB 3.41Å; L11-V15 VanDerWaalsContact O-CG2 3.26Å; L11-V15 WeakPolarHBondContact O-CG2 3.13Å; L11-V15 PolarHBondContact O-N 3.44Å; L12-V15 PolarHBondContact O-N 3.42Å; V13-V15 PolarHBondContact O-N 2.85Å; V15-A17 VanDerWaalsContact C-N 3.32Å; V15-A17 PolarHBondContact O-N 3.19Å; V15-E18 PolarHBondContact O-N 3.32Å; V15-S19 WeakPolarHBondContact O-CB 3.47Å; V15-S19 PolarHBondContact O-N 3.29Å; V15-S19 PolarHBondContact O-OG 3.37Å |
| 16 | A | 68.8 | Low | 64.4 | Low | 61 Ų | 61 | 102.9 Ų | 102.9 | 50% | 0.504 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.6 | -36.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L12 V13 E18 S19 | L12-A16 VanDerWaalsContact O-CB 3.27Å; L12-A16 WeakPolarHBondContact O-CB 3.48Å; L12-A16 PolarHBondContact O-N 3.19Å; V13-A16 PolarHBondContact O-N 3.47Å; A16-E18 VanDerWaalsContact C-N 3.28Å; A16-E18 PolarHBondContact O-N 2.83Å; A16-S19 PolarHBondContact O-N 3.38Å |
| 17 | A | 66.8 | Low | 63.7 | Low | 74 Ų | 74 | 101.7 Ų | 101.7 | 61% | 0.612 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63.9 | -32.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V13 V15 | V13-A17 WeakPolarHBondContact O-CB 3.48Å; V13-A17 PolarHBondContact O-N 2.79Å; V15-A17 VanDerWaalsContact C-N 3.32Å; V15-A17 PolarHBondContact O-N 3.19Å |
| 18 | E | 59.2 | Low | 63.3 | Low | 155 Ų | 155 | 98.9 Ų | 98.9 | 72% | 0.724 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -82.2 | -23.9 | 176.7 | -67.1 | -74.4 | 137.5 | 0 | 0 | 112.7 | C14 V15 A16 D20 | C14-E18 WeakPolarHBondContact O-CG 3.27Å; C14-E18 PolarHBondContact O-N 3.35Å; V15-E18 PolarHBondContact O-N 3.32Å; A16-E18 VanDerWaalsContact C-N 3.28Å; A16-E18 PolarHBondContact O-N 2.83Å; E18-D20 PolarHBondContact O-N 2.9Å |
| 19 | S | 60.1 | Low | 62.9 | Low | 63 Ų | 63 | 100.2 Ų | 100.2 | 44% | 0.441 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -75.5 | -20.8 | -174.7 | -56.4 | 0 | 0 | 0 | 0 | 114 | V15 A16 S21 | V15-S19 WeakPolarHBondContact O-CB 3.47Å; V15-S19 PolarHBondContact O-N 3.29Å; V15-S19 PolarHBondContact O-OG 3.37Å; A16-S19 PolarHBondContact O-N 3.38Å; S19-S21 PolarHBondContact O-N 3.18Å |
| 20 | D | 54.9 | Low | 62.3 | Low | 154 Ų | 154 | 101.9 Ų | 101.9 | 82% | 0.824 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -18.2 | -179.3 | -152.3 | -112.5 | 0 | 0 | 0 | 112.2 | E18 | E18-D20 PolarHBondContact O-N 2.9Š|
| 21 | S | 53.8 | Low | 61.5 | Low | 114 Ų | 114 | 107.9 Ų | 107.9 | 80% | 0.797 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -7.6 | -176.3 | -73.7 | 0 | 0 | 0 | 0 | 115.9 | S19 | S19-S21 PolarHBondContact O-N 3.18Š|
| 22 | S | 52.8 | Low | 61.7 | Low | 76 Ų | 76 | 109 Ų | 109 | 53% | 0.531 | 63% | 0.63 | S | S | . | * | trans | -112 | 19 | -165.3 | 82.1 | 0 | 0 | 0 | 0 | 117 | ||||
| 23 | V | 55.5 | Low | 62 | Low | 130 Ų | 130 | 107.6 Ų | 107.6 | 79% | 0.788 | 63% | 0.628 | S | S | * | * | trans | -119.8 | 89.7 | 171.3 | -172 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 24 | M | 57.3 | Low | 62.3 | Low | 176 Ų | 176 | 111.1 Ų | 111.1 | 87% | 0.867 | 64% | 0.636 | S | S | * | * | trans | -175 | 104.9 | 131.5 | -116.2 | 160 | 58.1 | 0 | 0 | 108.2 | ||||
| 25 | E | 51.4 | Low | 62.9 | Low | 138 Ų | 138 | 113.4 Ų | 113.4 | 65% | 0.645 | 64% | 0.642 | S | S | * | * | trans | -144.5 | 84 | 152.6 | -108.3 | -92.9 | 126.6 | 0 | 0 | 105.5 | H27 | E25-H27 PolarHBondContact O-N 3.35Å; E25-H27 WeakPolarHBondContact OE2-CB 3.47Å; E25-H27 IonicContact OE2-CD2 3.19Å; E25-H27 PolarHBondContact OE2-CD2 3.04Å; E25-H27 IonicContact OE2-CG 3.57Å | ||
| 26 | E | 57.8 | Low | 63.9 | Low | 161 Ų | 161 | 118.5 Ų | 118.5 | 75% | 0.752 | 66% | 0.656 | S | S | * | * | trans | -65.9 | 79.8 | 155.6 | -176.4 | -139.6 | 127.4 | 0 | 0 | 106.4 | S28 | E26-S28 PolarHBondContact O-N 3.35Å; E26-S28 PolarHBondContact OE1-OG 3.45Å | ||
| 27 | H | 55.3 | Low | 64.7 | Low | 88 Ų | 88 | 118.5 Ų | 118.5 | 41% | 0.407 | 65% | 0.648 | S | S | . | * | trans | -84.1 | 76.9 | 178.9 | -164.8 | -112.8 | 0 | 0 | 0 | 108.9 | E25 V29 | E25-H27 PolarHBondContact O-N 3.35Å; E25-H27 WeakPolarHBondContact OE2-CB 3.47Å; E25-H27 IonicContact OE2-CD2 3.19Å; E25-H27 PolarHBondContact OE2-CD2 3.04Å; E25-H27 IonicContact OE2-CG 3.57Å; H27-V29 WeakPolarHBondContact CE1-CB 3.5Å; H27-V29 WeakPolarHBondContact CE1-CG2 3.26Å; H27-V29 WeakPolarHBondContact ND1-CG2 3.49Å; H27-V29 WeakPolarHBondContact NE2-CG2 3.09Å; H27-V29 PolarHBondContact O-N 3.17Å | ||
| 28 | S | 59.5 | Low | 65.8 | Low | 95 Ų | 95 | 121 Ų | 121 | 66% | 0.664 | 64% | 0.643 | S | S | * | * | trans | -72.3 | 68.6 | 166.8 | 47.4 | 0 | 0 | 0 | 0 | 109.8 | E26 | E26-S28 PolarHBondContact O-N 3.35Å; E26-S28 PolarHBondContact OE1-OG 3.45Å | ||
| 29 | V | 59.5 | Low | 67.1 | Low | 77 Ų | 77 | 118.8 Ų | 118.8 | 47% | 0.467 | 63% | 0.632 | S | S | . | * | trans | -97.3 | 114.5 | 175.3 | 169.1 | 0 | 0 | 0 | 0 | 111.4 | H27 E31 | H27-V29 WeakPolarHBondContact CE1-CB 3.5Å; H27-V29 WeakPolarHBondContact CE1-CG2 3.26Å; H27-V29 WeakPolarHBondContact ND1-CG2 3.49Å; H27-V29 WeakPolarHBondContact NE2-CG2 3.09Å; H27-V29 PolarHBondContact O-N 3.17Å; V29-E31 PolarHBondContact O-N 3.02Å | ||
| 30 | A | 60.5 | Low | 68.4 | Low | 89 Ų | 89 | 118.5 Ų | 118.5 | 74% | 0.736 | 63% | 0.63 | S | S | * | * | trans | -42.5 | 126.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111 | N32 | A30-N32 PolarHBondContact O-N 3.28Š| ||
| 31 | E | 63.3 | Low | 70.2 | Confident | 198 Ų | 198 | 116.8 Ų | 116.8 | 93% | 0.925 | 62% | 0.62 | S | S | * | * | trans | -60 | 89.5 | -171.7 | -61.3 | -171.8 | 172.6 | 0 | 0 | 112.4 | V29 | V29-E31 PolarHBondContact O-N 3.02Š| ||
| 32 | N | 73.4 | Confident | 72.1 | Confident | 92 Ų | 92 | 118.3 Ų | 118.3 | 49% | 0.492 | 61% | 0.609 | S | S | . | * | trans | -98.1 | 113.1 | 163.1 | -159.8 | -40.6 | 0 | 0 | 0 | 107.7 | A30 F34 I35 | A30-N32 PolarHBondContact O-N 3.28Å; N32-F34 PolarHBondContact O-N 3.43Å; N32-I35 HydrophobicContact CB-CG1 4.37Å; N32-I35 PolarHBondContact O-N 3.18Å | ||
| 33 | P | 80.1 | Confident | 73.9 | Confident | 93 Ų | 93 | 118.6 Ų | 118.6 | 60% | 0.604 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -5.3 | -168.9 | 27.2 | -36.2 | 0 | 0 | 0 | 114.3 | ||
| 34 | F | 83.4 | Confident | 75.7 | Confident | 174 Ų | 174 | 114.3 Ų | 114.3 | 76% | 0.763 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -4.3 | 177.5 | -58 | -69.3 | 0 | 0 | 0 | 113.7 | N32 | N32-F34 PolarHBondContact O-N 3.43Š|
| 35 | I | 82.8 | Confident | 77.4 | Confident | 116 Ų | 116 | 108 Ų | 108 | 60% | 0.595 | 57% | 0.565 | S | S | * | * | trans | -112 | 119.7 | 179.4 | -56.4 | -62.3 | 0 | 0 | 0 | 108.6 | N32 | N32-I35 HydrophobicContact CB-CG1 4.37Å; N32-I35 PolarHBondContact O-N 3.18Å | ||
| 36 | Y | 85.9 | Confident | 79.4 | Confident | 164 Ų | 164 | 107.2 Ų | 107.2 | 64% | 0.643 | 56% | 0.564 | S | S | * | * | trans | -112.5 | 133.2 | 175.9 | -67.8 | -79.5 | 0 | 0 | 0 | 109.8 | Y38 | Y36-Y38 VanDerWaalsContact C-N 3.33Å; Y36-Y38 WeakPolarHBondContact O-CD2 3.37Å; Y36-Y38 PolarHBondContact O-N 3.4Å | ||
| 37 | D | 85.3 | Confident | 80.8 | Confident | 61 Ų | 61 | 102.9 Ų | 102.9 | 33% | 0.326 | 55% | 0.549 | S | S | . | . | trans | -78.5 | 84.3 | 174.9 | -178.5 | 7 | 0 | 0 | 0 | 110.6 | E39 S40 | D37-E39 VanDerWaalsContact C-N 3.28Å; D37-E39 WeakPolarHBondContact OD1-CB 3.35Å; D37-E39 PolarHBondContact OD1-N 2.98Å; D37-S40 PolarHBondContact OD1-N 3.49Å; D37-S40 WeakPolarHBondContact OD2-CB 3.27Å; D37-S40 PolarHBondContact OD2-OG 3.39Å | ||
| 38 | Y | 90.8 | Very high | 82.4 | Confident | 128 Ų | 128 | 104.6 Ų | 104.6 | 50% | 0.502 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -74.7 | -18.2 | 172.2 | -71.2 | -74 | 0 | 0 | 0 | 113 | Y36 L41 R42 | Y36-Y38 VanDerWaalsContact C-N 3.33Å; Y36-Y38 WeakPolarHBondContact O-CD2 3.37Å; Y36-Y38 PolarHBondContact O-N 3.4Å; Y38-L41 HydrophobicContact CD1-CD2 4.24Å; Y38-L41 PolarHBondContact O-N 2.66Å; Y38-R42 WeakPolarHBondContact O-CB 3.5Å; Y38-R42 WeakPolarHBondContact O-CD 3.23Å; Y38-R42 WeakPolarHBondContact O-CG 3.17Å; Y38-R42 PolarHBondContact O-N 2.97Å |
| 39 | E | 86.6 | Confident | 84.1 | Confident | 108 Ų | 108 | 102.7 Ų | 102.7 | 51% | 0.505 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.7 | -53.4 | -179.5 | -74.7 | -57.9 | 143.2 | 0 | 0 | 109.6 | D37 L41 R42 I43 | D37-E39 VanDerWaalsContact C-N 3.28Å; D37-E39 WeakPolarHBondContact OD1-CB 3.35Å; D37-E39 PolarHBondContact OD1-N 2.98Å; E39-L41 VanDerWaalsContact C-N 3.27Å; E39-L41 PolarHBondContact O-N 3.4Å; E39-R42 PolarHBondContact O-N 2.78Å; E39-R42 IonicContact OE1-NH1 3.33Å; E39-R42 PolarHBondContact OE1-NH1 3.34Å; E39-I43 VanDerWaalsContact O-CD1 3.32Å; E39-I43 WeakPolarHBondContact O-CD1 3.47Å; E39-I43 VanDerWaalsContact O-CG1 3.26Å; E39-I43 WeakPolarHBondContact O-CG1 3.3Å; E39-I43 PolarHBondContact O-N 2.84Å |
| 40 | S | 87.3 | Confident | 85.4 | Confident | 57 Ų | 57 | 102.6 Ų | 102.6 | 40% | 0.399 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -58.7 | -40.2 | 174.6 | -65.7 | 0 | 0 | 0 | 0 | 112.3 | D37 R42 I43 G44 | D37-S40 PolarHBondContact OD1-N 3.49Å; D37-S40 WeakPolarHBondContact OD2-CB 3.27Å; D37-S40 PolarHBondContact OD2-OG 3.39Å; S40-R42 PolarHBondContact O-N 3.49Å; S40-I43 PolarHBondContact O-N 2.96Å; S40-G44 PolarHBondContact O-N 2.95Å |
| 41 | L | 92.3 | Very high | 86.7 | Confident | 118 Ų | 118 | 103.1 Ų | 103.1 | 62% | 0.618 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64 | -42.1 | 178.9 | -176.6 | 62 | 0 | 0 | 0 | 112.2 | Y38 E39 G45 | Y38-L41 HydrophobicContact CD1-CD2 4.24Å; Y38-L41 PolarHBondContact O-N 2.66Å; E39-L41 VanDerWaalsContact C-N 3.27Å; E39-L41 PolarHBondContact O-N 3.4Å; L41-G45 PolarHBondContact O-N 3.4Å |
| 42 | R | 93.9 | Very high | 88 | Confident | 146 Ų | 146 | 97.7 Ų | 97.7 | 55% | 0.551 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.2 | -47.5 | 177.7 | -74.5 | 165.1 | -175.6 | 178 | 1.6 | 111 | Y38 E39 S40 G44 G45 L46 | Y38-R42 WeakPolarHBondContact O-CB 3.5Å; Y38-R42 WeakPolarHBondContact O-CD 3.23Å; Y38-R42 WeakPolarHBondContact O-CG 3.17Å; Y38-R42 PolarHBondContact O-N 2.97Å; E39-R42 PolarHBondContact O-N 2.78Å; E39-R42 IonicContact OE1-NH1 3.33Å; E39-R42 PolarHBondContact OE1-NH1 3.34Å; S40-R42 PolarHBondContact O-N 3.49Å; R42-G44 VanDerWaalsContact C-N 3.35Å; R42-G44 PolarHBondContact O-N 3.4Å; R42-G45 PolarHBondContact O-N 3.45Å; R42-L46 WeakPolarHBondContact O-CB 3.24Å; R42-L46 VanDerWaalsContact O-CG 3.27Å; R42-L46 WeakPolarHBondContact O-CG 3.36Å; R42-L46 PolarHBondContact O-N 3.41Å |
| 43 | I | 90.8 | Very high | 88.8 | Confident | 82 Ų | 82 | 100 Ų | 100 | 42% | 0.421 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.7 | -45.7 | -179.6 | -66.2 | 158.3 | 0 | 0 | 0 | 110.1 | E39 S40 G45 L46 T47 | E39-I43 VanDerWaalsContact O-CD1 3.32Å; E39-I43 WeakPolarHBondContact O-CD1 3.47Å; E39-I43 VanDerWaalsContact O-CG1 3.26Å; E39-I43 WeakPolarHBondContact O-CG1 3.3Å; E39-I43 PolarHBondContact O-N 2.84Å; S40-I43 PolarHBondContact O-N 2.96Å; I43-G45 PolarHBondContact O-N 2.91Å; I43-L46 PolarHBondContact O-N 3.49Å; I43-T47 WeakPolarHBondContact O-CB 3.18Å; I43-T47 PolarHBondContact O-N 3.39Å; I43-T47 PolarHBondContact O-OG1 3.11Å |
| 44 | G | 92.3 | Very high | 89 | Confident | 40 Ų | 40 | 97.7 Ų | 97.7 | 41% | 0.412 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.6 | -44.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S40 R42 T47 F48 | S40-G44 PolarHBondContact O-N 2.95Å; R42-G44 VanDerWaalsContact C-N 3.35Å; R42-G44 PolarHBondContact O-N 3.4Å; G44-T47 PolarHBondContact O-N 2.94Å; G44-F48 WeakPolarHBondContact O-CB 3.27Å; G44-F48 PolarHBondContact O-N 3.37Å |
| 45 | G | 93.8 | Very high | 89.1 | Confident | 42 Ų | 42 | 93.7 Ų | 93.7 | 43% | 0.433 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.3 | -45.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L41 R42 I43 F48 A49 | L41-G45 PolarHBondContact O-N 3.4Å; R42-G45 PolarHBondContact O-N 3.45Å; I43-G45 PolarHBondContact O-N 2.91Å; G45-F48 PolarHBondContact O-N 2.95Å; G45-A49 WeakPolarHBondContact O-CB 3.45Å; G45-A49 PolarHBondContact O-N 3.06Å |
| 46 | L | 92.1 | Very high | 89.4 | Confident | 122 Ų | 122 | 89.6 Ų | 89.6 | 64% | 0.639 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -64.9 | -42.5 | 178.1 | -69.5 | 165.8 | 0 | 0 | 0 | 111.3 | R42 I43 A49 V50 | R42-L46 WeakPolarHBondContact O-CB 3.24Å; R42-L46 VanDerWaalsContact O-CG 3.27Å; R42-L46 WeakPolarHBondContact O-CG 3.36Å; R42-L46 PolarHBondContact O-N 3.41Å; I43-L46 PolarHBondContact O-N 3.49Å; L46-A49 PolarHBondContact O-N 2.69Å; L46-V50 WeakPolarHBondContact O-CG2 3.43Å; L46-V50 PolarHBondContact O-N 3.19Å |
| 47 | T | 87.4 | Confident | 89.5 | Confident | 70 Ų | 70 | 85 Ų | 85 | 43% | 0.429 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.6 | -48.7 | 176.1 | -57 | 0 | 0 | 0 | 0 | 111.2 | I43 G44 A49 V50 I51 | I43-T47 WeakPolarHBondContact O-CB 3.18Å; I43-T47 PolarHBondContact O-N 3.39Å; I43-T47 PolarHBondContact O-OG1 3.11Å; G44-T47 PolarHBondContact O-N 2.94Å; T47-A49 VanDerWaalsContact C-N 3.34Å; T47-A49 PolarHBondContact O-N 3.27Å; T47-V50 PolarHBondContact O-N 3.48Å; T47-I51 HydrophobicContact CG2-CD1 3.92Å; T47-I51 WeakPolarHBondContact O-CG1 2.98Å; T47-I51 PolarHBondContact O-N 2.85Å |
| 48 | F | 90.3 | Very high | 89.2 | Confident | 125 Ų | 125 | 84.5 Ų | 84.5 | 55% | 0.548 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 178.4 | -175.9 | -110.1 | 0 | 0 | 0 | 112.3 | G44 G45 V50 I51 L52 | G44-F48 WeakPolarHBondContact O-CB 3.27Å; G44-F48 PolarHBondContact O-N 3.37Å; G45-F48 PolarHBondContact O-N 2.95Å; F48-V50 PolarHBondContact O-N 3.33Å; F48-I51 PolarHBondContact O-N 3.05Å; F48-L52 HydrophobicContact CD1-CD1 3.78Å; F48-L52 HydrophobicContact CD1-CG 4.18Å; F48-L52 HydrophobicContact CD2-CG 4.32Å; F48-L52 HydrophobicContact CE1-CD1 3.14Å; F48-L52 HydrophobicContact CE1-CG 3.82Å; F48-L52 HydrophobicContact CE2-CD1 4.12Å; F48-L52 HydrophobicContact CE2-CD2 4.08Å; F48-L52 HydrophobicContact CE2-CG 3.95Å; F48-L52 HydrophobicContact CG-CG 4.44Å; F48-L52 HydrophobicContact CZ-CD1 3.34Å; F48-L52 HydrophobicContact CZ-CD2 3.95Å; F48-L52 HydrophobicContact CZ-CG 3.7Å; F48-L52 WeakPolarHBondContact O-CB 3.44Å; F48-L52 WeakPolarHBondContact O-CG 3.32Å; F48-L52 PolarHBondContact O-N 3.44Å |
| 49 | A | 93.7 | Very high | 88.9 | Confident | 55 Ų | 55 | 82.7 Ų | 82.7 | 46% | 0.455 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.4 | -45.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | G45 L46 T47 F53 | G45-A49 WeakPolarHBondContact O-CB 3.45Å; G45-A49 PolarHBondContact O-N 3.06Å; L46-A49 PolarHBondContact O-N 2.69Å; T47-A49 VanDerWaalsContact C-N 3.34Å; T47-A49 PolarHBondContact O-N 3.27Å; A49-F53 WeakPolarHBondContact O-CB 3.35Å; A49-F53 PolarHBondContact O-N 3.05Å |
| 50 | V | 88.2 | Confident | 88.8 | Confident | 74 Ų | 74 | 82.8 Ų | 82.8 | 45% | 0.448 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.9 | -46.4 | 177.4 | 173.9 | 0 | 0 | 0 | 0 | 111 | L46 T47 F48 L52 F53 M54 | L46-V50 WeakPolarHBondContact O-CG2 3.43Å; L46-V50 PolarHBondContact O-N 3.19Å; T47-V50 PolarHBondContact O-N 3.48Å; F48-V50 PolarHBondContact O-N 3.33Å; V50-L52 PolarHBondContact O-N 3.48Å; V50-F53 PolarHBondContact O-N 2.87Å; V50-M54 HydrophobicContact CG1-CG 4.37Å; V50-M54 WeakPolarHBondContact O-CB 3.47Å; V50-M54 WeakPolarHBondContact O-CG 3.32Å; V50-M54 PolarHBondContact O-N 3.32Å |
| 51 | I | 86.9 | Confident | 88.1 | Confident | 101 Ų | 101 | 83.5 Ų | 83.5 | 52% | 0.518 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.6 | -48.4 | 179.5 | -67.3 | 167.7 | 0 | 0 | 0 | 111.3 | T47 F48 F53 M54 L55 | T47-I51 HydrophobicContact CG2-CD1 3.92Å; T47-I51 WeakPolarHBondContact O-CG1 2.98Å; T47-I51 PolarHBondContact O-N 2.85Å; F48-I51 PolarHBondContact O-N 3.05Å; I51-F53 VanDerWaalsContact C-N 3.35Å; I51-F53 PolarHBondContact O-N 3.47Å; I51-M54 WeakPolarHBondContact O-CB 3.32Å; I51-M54 PolarHBondContact O-N 3.5Å; I51-L55 WeakPolarHBondContact O-CB 3.33Å; I51-L55 PolarHBondContact O-N 3.34Å |
| 52 | L | 91.1 | Very high | 86.9 | Confident | 84 Ų | 84 | 80.3 Ų | 80.3 | 44% | 0.44 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.7 | -40.1 | 179.2 | -75 | -168.9 | 0 | 0 | 0 | 112.3 | F48 V50 M54 L55 G56 | F48-L52 HydrophobicContact CD1-CD1 3.78Å; F48-L52 HydrophobicContact CD1-CG 4.18Å; F48-L52 HydrophobicContact CD2-CG 4.32Å; F48-L52 HydrophobicContact CE1-CD1 3.14Å; F48-L52 HydrophobicContact CE1-CG 3.82Å; F48-L52 HydrophobicContact CE2-CD1 4.12Å; F48-L52 HydrophobicContact CE2-CD2 4.08Å; F48-L52 HydrophobicContact CE2-CG 3.95Å; F48-L52 HydrophobicContact CG-CG 4.44Å; F48-L52 HydrophobicContact CZ-CD1 3.34Å; F48-L52 HydrophobicContact CZ-CD2 3.95Å; F48-L52 HydrophobicContact CZ-CG 3.7Å; F48-L52 WeakPolarHBondContact O-CB 3.44Å; F48-L52 WeakPolarHBondContact O-CG 3.32Å; F48-L52 PolarHBondContact O-N 3.44Å; V50-L52 PolarHBondContact O-N 3.48Å; L52-M54 VanDerWaalsContact C-N 3.34Å; L52-L55 PolarHBondContact O-N 3.49Å; L52-G56 PolarHBondContact O-N 2.93Å |
| 53 | F | 90.8 | Very high | 85.7 | Confident | 141 Ų | 141 | 82.6 Ų | 82.6 | 62% | 0.618 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -62.6 | -44.7 | 178.4 | -174.5 | -111.4 | 0 | 0 | 0 | 111.3 | A49 V50 I51 G56 I57 | A49-F53 WeakPolarHBondContact O-CB 3.35Å; A49-F53 PolarHBondContact O-N 3.05Å; V50-F53 PolarHBondContact O-N 2.87Å; I51-F53 VanDerWaalsContact C-N 3.35Å; I51-F53 PolarHBondContact O-N 3.47Å; F53-G56 PolarHBondContact O-N 2.94Å; F53-I57 HydrophobicContact CD1-CD1 3.74Å; F53-I57 HydrophobicContact CE1-CD1 3.32Å; F53-I57 HydrophobicContact CE1-CG1 4.47Å; F53-I57 HydrophobicContact CE2-CD1 4.17Å; F53-I57 HydrophobicContact CG-CD1 4.34Å; F53-I57 HydrophobicContact CZ-CD1 3.56Å; F53-I57 HydrophobicContact CZ-CG1 4.45Å; F53-I57 WeakPolarHBondContact O-CG1 3.11Å; F53-I57 PolarHBondContact O-N 3.42Å |
| 54 | M | 83.5 | Confident | 84.3 | Confident | 43 Ų | 43 | 88.3 Ų | 88.3 | 21% | 0.212 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -59.9 | -48.5 | 174.9 | -76.1 | -67 | -75.9 | 0 | 0 | 112.6 | L11 V50 I51 L52 G56 I57 L58 | L11-M54 HydrophobicContact CB-CE 3.85Å; L11-M54 HydrophobicContact CD1-SD 4.46Å; L11-M54 HydrophobicContact CD2-CE 3.33Å; L11-M54 HydrophobicContact CD2-SD 3.1Å; L11-M54 WeakPolarHBondContact CD2-SD 3.19Å; L11-M54 HydrophobicContact CG-CE 3.32Å; L11-M54 HydrophobicContact CG-SD 3.52Å; L11-M54 VanDerWaalsContact CG-SD 3.52Å; V50-M54 HydrophobicContact CG1-CG 4.37Å; V50-M54 WeakPolarHBondContact O-CB 3.47Å; V50-M54 WeakPolarHBondContact O-CG 3.32Å; V50-M54 PolarHBondContact O-N 3.32Å; I51-M54 WeakPolarHBondContact O-CB 3.32Å; I51-M54 PolarHBondContact O-N 3.5Å; L52-M54 VanDerWaalsContact C-N 3.34Å; M54-G56 VanDerWaalsContact C-N 3.31Å; M54-G56 PolarHBondContact O-N 2.99Å; M54-I57 PolarHBondContact O-N 3.34Å; M54-L58 VanDerWaalsContact O-CB 3.27Å; M54-L58 WeakPolarHBondContact O-CB 3.26Å; M54-L58 PolarHBondContact O-N 2.93Å |
| 55 | L | 86.3 | Confident | 82.5 | Confident | 90 Ų | 90 | 89.2 Ų | 89.2 | 47% | 0.471 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61 | -41.8 | 176.4 | -176 | 61.5 | 0 | 0 | 0 | 111.2 | I51 L52 L58 L59 | I51-L55 WeakPolarHBondContact O-CB 3.33Å; I51-L55 PolarHBondContact O-N 3.34Å; L52-L55 PolarHBondContact O-N 3.49Å; L55-L58 PolarHBondContact O-N 2.91Å; L55-L59 HydrophobicContact CD1-CD1 4.48Å; L55-L59 HydrophobicContact CD1-CG 4.42Å; L55-L59 HydrophobicContact CG-CD1 4.24Å; L55-L59 WeakPolarHBondContact O-CB 3.38Å; L55-L59 VanDerWaalsContact O-CG 3.24Å; L55-L59 WeakPolarHBondContact O-CG 3.49Å; L55-L59 PolarHBondContact O-N 2.96Å |
| 56 | G | 88.9 | Confident | 80.7 | Confident | 31 Ų | 31 | 97.9 Ų | 97.9 | 32% | 0.32 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.4 | -49.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L52 F53 M54 L59 I60 | L52-G56 PolarHBondContact O-N 2.93Å; F53-G56 PolarHBondContact O-N 2.94Å; M54-G56 VanDerWaalsContact C-N 3.31Å; M54-G56 PolarHBondContact O-N 2.99Å; G56-L59 PolarHBondContact O-N 3.06Å; G56-I60 VanDerWaalsContact O-CG1 3.3Å; G56-I60 WeakPolarHBondContact O-CG1 3.29Å; G56-I60 PolarHBondContact O-N 3.49Å; G56-I60 VanDerWaalsContact O-N 3.11Å |
| 57 | I | 87.1 | Confident | 78.9 | Confident | 66 Ų | 66 | 97.8 Ų | 97.8 | 34% | 0.338 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 176.8 | -67.8 | 171.3 | 0 | 0 | 0 | 110.5 | F53 M54 L59 I60 L61 | F53-I57 HydrophobicContact CD1-CD1 3.74Å; F53-I57 HydrophobicContact CE1-CD1 3.32Å; F53-I57 HydrophobicContact CE1-CG1 4.47Å; F53-I57 HydrophobicContact CE2-CD1 4.17Å; F53-I57 HydrophobicContact CG-CD1 4.34Å; F53-I57 HydrophobicContact CZ-CD1 3.56Å; F53-I57 HydrophobicContact CZ-CG1 4.45Å; F53-I57 WeakPolarHBondContact O-CG1 3.11Å; F53-I57 PolarHBondContact O-N 3.42Å; M54-I57 PolarHBondContact O-N 3.34Å; I57-L59 VanDerWaalsContact C-N 3.3Å; I57-L59 PolarHBondContact O-N 2.75Å; I57-I60 PolarHBondContact O-N 3.18Å; I57-L61 HydrophobicContact CG2-CD1 3.76Å; I57-L61 HydrophobicContact CG2-CG 4.13Å; I57-L61 WeakPolarHBondContact O-CG 3.34Å; I57-L61 PolarHBondContact O-N 3.24Å |
| 58 | L | 79.6 | Confident | 77.3 | Confident | 52 Ų | 52 | 97.1 Ų | 97.1 | 27% | 0.272 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.4 | -42.1 | 179.4 | 178.3 | 53 | 0 | 0 | 0 | 111.9 | V4 L8 M54 L55 L61 S62 | V4-L58 HydrophobicContact CG1-CD1 4.46Å; L8-L58 HydrophobicContact CD1-CD1 3.49Å; L8-L58 VanDerWaalsContact CD1-CD1 3.49Å; L8-L58 HydrophobicContact CD1-CD2 4.35Å; L8-L58 HydrophobicContact CD2-CB 4.47Å; L8-L58 HydrophobicContact CD2-CD1 3.92Å; L8-L58 HydrophobicContact CD2-CD2 4.28Å; L8-L58 HydrophobicContact CD2-CG 4.45Å; L8-L58 HydrophobicContact CG-CD1 4.23Å; M54-L58 VanDerWaalsContact O-CB 3.27Å; M54-L58 WeakPolarHBondContact O-CB 3.26Å; M54-L58 PolarHBondContact O-N 2.93Å; L55-L58 PolarHBondContact O-N 2.91Å; L58-L61 PolarHBondContact O-N 3.49Å; L58-S62 VanDerWaalsContact O-CB 3.23Å; L58-S62 WeakPolarHBondContact O-CB 3.34Å; L58-S62 PolarHBondContact O-N 3.47Å; L58-S62 PolarHBondContact O-OG 3.29Å |
| 59 | L | 83.6 | Confident | 75.5 | Confident | 89 Ų | 89 | 94.3 Ų | 94.3 | 47% | 0.466 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66 | -40.4 | 177.3 | -71.7 | 174.3 | 0 | 0 | 0 | 112.4 | L55 G56 I57 S62 R63 | L55-L59 HydrophobicContact CD1-CD1 4.48Å; L55-L59 HydrophobicContact CD1-CG 4.42Å; L55-L59 HydrophobicContact CG-CD1 4.24Å; L55-L59 WeakPolarHBondContact O-CB 3.38Å; L55-L59 VanDerWaalsContact O-CG 3.24Å; L55-L59 WeakPolarHBondContact O-CG 3.49Å; L55-L59 PolarHBondContact O-N 2.96Å; G56-L59 PolarHBondContact O-N 3.06Å; I57-L59 VanDerWaalsContact C-N 3.3Å; I57-L59 PolarHBondContact O-N 2.75Å; L59-S62 PolarHBondContact O-N 2.98Å; L59-R63 WeakPolarHBondContact O-CG 3.46Å; L59-R63 PolarHBondContact O-N 3.39Å |
| 60 | I | 84.1 | Confident | 73.5 | Confident | 111 Ų | 111 | 101 Ų | 101 | 57% | 0.569 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.4 | -47.3 | 176.7 | -66.4 | 164.9 | 0 | 0 | 0 | 110.4 | G56 I57 R63 R64 | G56-I60 VanDerWaalsContact O-CG1 3.3Å; G56-I60 WeakPolarHBondContact O-CG1 3.29Å; G56-I60 PolarHBondContact O-N 3.49Å; G56-I60 VanDerWaalsContact O-N 3.11Å; I57-I60 PolarHBondContact O-N 3.18Å; I60-R63 PolarHBondContact O-N 3.48Å; I60-R64 WeakPolarHBondContact O-CG 3.42Å; I60-R64 PolarHBondContact O-N 2.65Å |
| 61 | L | 73.6 | Confident | 72 | Confident | 71 Ų | 71 | 106.1 Ų | 106.1 | 37% | 0.372 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.4 | -41.2 | 177.6 | -66.4 | 179.4 | 0 | 0 | 0 | 111.4 | I57 L58 R63 R64 C65 | I57-L61 HydrophobicContact CG2-CD1 3.76Å; I57-L61 HydrophobicContact CG2-CG 4.13Å; I57-L61 WeakPolarHBondContact O-CG 3.34Å; I57-L61 PolarHBondContact O-N 3.24Å; L58-L61 PolarHBondContact O-N 3.49Å; L61-R63 VanDerWaalsContact C-N 3.32Å; L61-R63 PolarHBondContact O-N 2.96Å; L61-R64 PolarHBondContact O-N 3.48Å; L61-C65 VanDerWaalsContact O-CB 3.29Å; L61-C65 WeakPolarHBondContact O-CB 3.11Å; L61-C65 PolarHBondContact O-N 2.88Å; L61-C65 PolarHBondContact O-SG 3.1Å |
| 62 | S | 67.8 | Low | 69.9 | Low | 52 Ų | 52 | 110.5 Ų | 110.5 | 36% | 0.364 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.9 | -39.7 | 177 | -62.1 | 0 | 0 | 0 | 0 | 112.3 | L58 L59 R66 | L58-S62 VanDerWaalsContact O-CB 3.23Å; L58-S62 WeakPolarHBondContact O-CB 3.34Å; L58-S62 PolarHBondContact O-N 3.47Å; L58-S62 PolarHBondContact O-OG 3.29Å; L59-S62 PolarHBondContact O-N 2.98Å; S62-R66 WeakPolarHBondContact O-CG 3.45Å; S62-R66 PolarHBondContact O-N 3.44Å |
| 63 | R | 67.6 | Low | 68.2 | Low | 193 Ų | 193 | 112.6 Ų | 112.6 | 73% | 0.728 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -68.7 | -39 | 175.3 | -72.2 | 177.5 | -175.9 | -166.2 | 1.6 | 112.2 | L59 I60 L61 | L59-R63 WeakPolarHBondContact O-CG 3.46Å; L59-R63 PolarHBondContact O-N 3.39Å; I60-R63 PolarHBondContact O-N 3.48Å; L61-R63 VanDerWaalsContact C-N 3.32Å; L61-R63 PolarHBondContact O-N 2.96Å |
| 64 | R | 61.9 | Low | 65.9 | Low | 202 Ų | 202 | 117.3 Ų | 117.3 | 76% | 0.762 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -73.1 | -31.6 | 177.2 | -70.8 | -74.8 | -81.7 | 175.9 | -6.6 | 112.8 | I60 L61 C67 | I60-R64 WeakPolarHBondContact O-CG 3.42Å; I60-R64 PolarHBondContact O-N 2.65Å; L61-R64 PolarHBondContact O-N 3.48Å; R64-C67 PolarHBondContact O-N 2.97Å |
| 65 | C | 54.9 | Low | 63.5 | Low | 59 Ų | 59 | 119.5 Ų | 119.5 | 40% | 0.399 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -77.2 | -22.8 | 177.3 | -68.7 | 0 | 0 | 0 | 0 | 113.6 | L61 C67 G68 | L61-C65 VanDerWaalsContact O-CB 3.29Å; L61-C65 WeakPolarHBondContact O-CB 3.11Å; L61-C65 PolarHBondContact O-N 2.88Å; L61-C65 PolarHBondContact O-SG 3.1Å; C65-C67 PolarHBondContact O-N 3.12Å; C65-G68 PolarHBondContact O-N 3.46Å |
| 66 | R | 55 | Low | 61.4 | Low | 225 Ų | 225 | 122 Ų | 122 | 85% | 0.849 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | -17.9 | 171.6 | -82.3 | 172.7 | 74.4 | 172.4 | 1.7 | 113.8 | S62 | S62-R66 WeakPolarHBondContact O-CG 3.45Å; S62-R66 PolarHBondContact O-N 3.44Å |
| 67 | C | 54.6 | Low | 59 | Low | 119 Ų | 119 | 123.7 Ų | 123.7 | 80% | 0.804 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | 2.1 | 176.1 | -61.7 | 0 | 0 | 0 | 0 | 114.2 | R64 C65 | R64-C67 PolarHBondContact O-N 2.97Å; C65-C67 PolarHBondContact O-N 3.12Å |
| 68 | G | 53.7 | Low | 57 | Low | 57 Ų | 57 | 123.8 Ų | 123.8 | 59% | 0.588 | 67% | 0.674 | S | S | * | * | trans | -99.4 | -6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | C65 K70 | C65-G68 PolarHBondContact O-N 3.46Å; G68-K70 VanDerWaalsContact C-N 3.32Å; G68-K70 PolarHBondContact O-N 3.26Å | ||
| 69 | G | 52.9 | Low | 55.5 | Low | 65 Ų | 65 | 130 Ų | 130 | 67% | 0.67 | 70% | 0.702 | S | S | * | * | trans | -74.2 | 83.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q71 | G69-Q71 PolarHBondContact O-N 3.37Š| ||
| 70 | K | 51 | Low | 53.6 | Low | 195 Ų | 195 | 133.6 Ų | 133.6 | 85% | 0.848 | 72% | 0.716 | S | S | * | * | trans | -58.9 | 92.1 | 158 | -70 | -80 | -171 | -171.3 | 0 | 107.4 | G68 K72 | G68-K70 VanDerWaalsContact C-N 3.32Å; G68-K70 PolarHBondContact O-N 3.26Å; K70-K72 PolarHBondContact O-N 2.94Å | ||
| 71 | Q | 57.2 | Low | 51.7 | Low | 182 Ų | 182 | 131 Ų | 131 | 85% | 0.85 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 127.2 | 147 | -63.9 | -135.1 | 30.3 | 0 | 0 | 106.1 | G69 | G69-Q71 PolarHBondContact O-N 3.37Š|
| 72 | K | 43.2 | Very low | 50.3 | Low | 194 Ų | 194 | 136 Ų | 136 | 84% | 0.843 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 141.6 | -175.2 | -133.6 | 167.4 | -178.5 | -178.9 | 0 | 109.2 | K70 R74 | K70-K72 PolarHBondContact O-N 2.94Å; K72-R74 PolarHBondContact O-N 3.19Å |
| 73 | P | 54.8 | Low | 49.4 | Very low | 127 Ų | 127 | 141.7 Ų | 141.7 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 117.7 | -175.2 | -5.7 | 20.6 | 0 | 0 | 0 | 109.8 | ||
| 74 | R | 41.7 | Very low | 48.2 | Very low | 240 Ų | 240 | 138.6 Ų | 138.6 | 91% | 0.906 | 74% | 0.741 | S | S | * | * | trans | -149.9 | 108.2 | 162.5 | -157 | 170.5 | 176.8 | 100.2 | -1.9 | 111.7 | K72 | K72-R74 PolarHBondContact O-N 3.19Š| ||
| 75 | A | 33.2 | Very low | 47.7 | Very low | 90 Ų | 90 | 132.7 Ų | 132.7 | 74% | 0.744 | 73% | 0.725 | S | S | * | * | trans | 67.5 | 136.6 | 164.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | G77 | A75-G77 PolarHBondContact O-N 2.59Š| ||
| 76 | P | 43.6 | Very low | 47.3 | Very low | 143 Ų | 143 | 135.8 Ų | 135.8 | 93% | 0.929 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -71 | 111 | 175.2 | 1 | 15.2 | 0 | 0 | 0 | 109.1 | ||
| 77 | G | 37.8 | Very low | 47.1 | Very low | 66 Ų | 66 | 130.9 Ų | 130.9 | 68% | 0.68 | 73% | 0.726 | S | S | * | * | trans | -179.6 | 70.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A75 | A75-G77 PolarHBondContact O-N 2.59Š| ||
| 78 | G | 44.2 | Very low | 46.6 | Very low | 67 Ų | 67 | 129.7 Ų | 129.7 | 69% | 0.691 | 72% | 0.715 | S | S | * | * | trans | 47.9 | 89.4 | 150.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 79 | E | 48.8 | Very low | 46.5 | Very low | 182 Ų | 182 | 130.8 Ų | 130.8 | 85% | 0.85 | 71% | 0.711 | S | S | * | * | trans | -143.2 | 44.5 | 157.3 | -62.9 | -174.2 | 109.1 | 0 | 0 | 110.5 | ||||
| 80 | E | 44.3 | Very low | 46.4 | Very low | 166 Ų | 166 | 135.4 Ų | 135.4 | 78% | 0.776 | 71% | 0.712 | S | S | * | * | trans | -93.5 | 159.9 | 142.9 | 55.5 | -145.2 | 108.5 | 0 | 0 | 106.7 | ||||
| 81 | V | 43.8 | Very low | 46.1 | Very low | 55 Ų | 55 | 129.1 Ų | 129.1 | 33% | 0.333 | 70% | 0.697 | S | S | . | * | trans | 84.9 | 48.9 | 178.3 | -147.9 | 0 | 0 | 0 | 0 | 116.1 | E84 N85 | V81-E84 HydrophobicContact CB-CG 4.25Å; V81-E84 HydrophobicContact CG1-CG 3.2Å; V81-N85 HydrophobicContact CG1-CB 3.78Å; V81-N85 WeakPolarHBondContact CG1-ND2 3.4Å | ||
| 82 | Q | 43.7 | Very low | 45.6 | Very low | 177 Ų | 177 | 123.9 Ų | 123.9 | 83% | 0.827 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -109 | 1.4 | 167.2 | -127.2 | -178.1 | 72.7 | 0 | 0 | 115.7 | ||
| 83 | E | 48.9 | Very low | 45.7 | Very low | 171 Ų | 171 | 118 Ų | 118 | 80% | 0.799 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -114.2 | -36.9 | 171.4 | -155.8 | 177.9 | 126.3 | 0 | 0 | 112.4 | ||
| 84 | E | 43.4 | Very low | 45.4 | Very low | 128 Ų | 128 | 116 Ų | 116 | 60% | 0.598 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -78.3 | -29.6 | -179.7 | 70.4 | -165 | 114.3 | 0 | 0 | 113.6 | V81 V88 | V81-E84 HydrophobicContact CB-CG 4.25Å; V81-E84 HydrophobicContact CG1-CG 3.2Å; E84-V88 PolarHBondContact O-N 2.99Å |
| 85 | N | 50 | Low | 45.6 | Very low | 79 Ų | 79 | 108.5 Ų | 108.5 | 42% | 0.422 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -74.5 | -25.5 | 179.5 | -105.8 | -32.4 | 0 | 0 | 0 | 113.7 | V81 I87 T89 | V81-N85 HydrophobicContact CG1-CB 3.78Å; V81-N85 WeakPolarHBondContact CG1-ND2 3.4Å; N85-I87 PolarHBondContact O-N 2.99Å; N85-T89 WeakPolarHBondContact O-CB 3.03Å; N85-T89 VanDerWaalsContact O-CG2 3.29Å; N85-T89 WeakPolarHBondContact O-CG2 3.46Å; N85-T89 PolarHBondContact O-N 2.93Å; N85-T89 PolarHBondContact O-OG1 3.03Å |
| 86 | L | 46.5 | Very low | 46.3 | Very low | 124 Ų | 124 | 113.2 Ų | 113.2 | 65% | 0.649 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -68.3 | -28.2 | 178.9 | -174.9 | 65.7 | 0 | 0 | 0 | 111.5 | K90 | L86-K90 WeakPolarHBondContact O-CB 3.05Å |
| 87 | I | 51 | Low | 46.3 | Very low | 121 Ų | 121 | 114.2 Ų | 114.2 | 62% | 0.621 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -84.9 | -39.7 | -178.8 | -46.2 | 174.1 | 0 | 0 | 0 | 110 | N85 A91 | N85-I87 PolarHBondContact O-N 2.99Å; I87-A91 PolarHBondContact O-N 3.12Å |
| 88 | V | 45.1 | Very low | 46.5 | Very low | 95 Ų | 95 | 117 Ų | 117 | 58% | 0.576 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -72 | -39.5 | 178.8 | 172.1 | 0 | 0 | 0 | 0 | 112.2 | E84 A91 A92 | E84-V88 PolarHBondContact O-N 2.99Å; V88-A91 PolarHBondContact O-N 3.5Å; V88-A92 PolarHBondContact O-N 2.99Å; V88-A92 VanDerWaalsContact O-N 3.1Å |
| 89 | T | 50.9 | Low | 46.3 | Very low | 80 Ų | 80 | 119.9 Ų | 119.9 | 49% | 0.491 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -70 | -34.2 | 178.5 | 51.3 | 0 | 0 | 0 | 0 | 112.6 | N85 A92 A93 | N85-T89 WeakPolarHBondContact O-CB 3.03Å; N85-T89 VanDerWaalsContact O-CG2 3.29Å; N85-T89 WeakPolarHBondContact O-CG2 3.46Å; N85-T89 PolarHBondContact O-N 2.93Å; N85-T89 PolarHBondContact O-OG1 3.03Å; T89-A92 PolarHBondContact O-N 3.02Å; T89-A93 PolarHBondContact O-N 3.42Å; T89-A93 VanDerWaalsContact O-N 3.12Å |
| 90 | K | 51.8 | Low | 45.9 | Very low | 161 Ų | 161 | 115.8 Ų | 115.8 | 70% | 0.7 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -70.6 | -31.8 | 176 | -140.6 | -171.4 | -179.4 | 84.1 | 0 | 112.2 | L86 A94 | L86-K90 WeakPolarHBondContact O-CB 3.05Å; K90-A94 WeakPolarHBondContact O-CB 3.33Å; K90-A94 PolarHBondContact O-N 3.34Å; K90-A94 VanDerWaalsContact O-N 3.12Å |
| 91 | A | 45.1 | Very low | 45.2 | Very low | 64 Ų | 64 | 117.2 Ų | 117.2 | 53% | 0.529 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -73.6 | -34.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I87 V88 A95 | I87-A91 PolarHBondContact O-N 3.12Å; V88-A91 PolarHBondContact O-N 3.5Å; A91-A95 PolarHBondContact O-N 2.83Å |
| 92 | A | 46.2 | Very low | 44.9 | Very low | 71 Ų | 71 | 125.7 Ų | 125.7 | 59% | 0.587 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -72.1 | -31.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | V88 T89 | V88-A92 PolarHBondContact O-N 2.99Å; V88-A92 VanDerWaalsContact O-N 3.1Å; T89-A92 PolarHBondContact O-N 3.02Å |
| 93 | A | 45.4 | Very low | 45 | Very low | 70 Ų | 70 | 123.1 Ų | 123.1 | 58% | 0.579 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -75.1 | -30.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | T89 A95 | T89-A93 PolarHBondContact O-N 3.42Å; T89-A93 VanDerWaalsContact O-N 3.12Å; A93-A95 VanDerWaalsContact C-N 3.28Å; A93-A95 PolarHBondContact O-N 2.91Å |
| 94 | A | 47.1 | Very low | 44.7 | Very low | 85 Ų | 85 | 120.6 Ų | 120.6 | 70% | 0.702 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -6.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | K90 | K90-A94 WeakPolarHBondContact O-CB 3.33Å; K90-A94 PolarHBondContact O-N 3.34Å; K90-A94 VanDerWaalsContact O-N 3.12Å |
| 95 | A | 47.1 | Very low | 44.8 | Very low | 83 Ų | 83 | 120.2 Ų | 120.2 | 69% | 0.686 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.7 | 8.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | A91 A93 | A91-A95 PolarHBondContact O-N 2.83Å; A93-A95 VanDerWaalsContact C-N 3.28Å; A93-A95 PolarHBondContact O-N 2.91Å |
| 96 | K | 48.2 | Very low | 44.5 | Very low | 189 Ų | 189 | 122.6 Ų | 122.6 | 82% | 0.822 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -132 | 41.7 | 176.9 | -104.7 | -158 | -177.6 | -164.1 | 0 | 114.3 | ||
| 97 | E | 43.1 | Very low | 44.4 | Very low | 164 Ų | 164 | 122.5 Ų | 122.5 | 77% | 0.766 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -134 | 69.4 | 164.1 | -64 | -75.1 | 162 | 0 | 0 | 106.8 | ||
| 98 | T | 42.2 | Very low | 43.9 | Very low | 126 Ų | 126 | 122.6 Ų | 122.6 | 77% | 0.773 | 73% | 0.732 | S | S | * | * | 169.5 | 141.4 | 98.6 | 35.7 | 0 | 0 | 0 | 0 | 106.1 | |||||
| 99 | P | 40.2 | Very low | 43.9 | Very low | 127 Ų | 127 | 124.6 Ų | 124.6 | 83% | 0.825 | 74% | 0.743 | S | S | * | * | -143.8 | 136.2 | 89.1 | 28 | -7.8 | 0 | 0 | 0 | 115.9 | |||||
| 100 | A | 39.7 | Very low | 43.3 | Very low | 95 Ų | 95 | 128 Ų | 128 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | 56 | 127.1 | 143 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 101 | E | 30.5 | Very low | 42.6 | Very low | 196 Ų | 196 | 125.3 Ų | 125.3 | 92% | 0.916 | 77% | 0.768 | S | S | * | * | 154 | 102.7 | 106.7 | -169.1 | 172.4 | 94.5 | 0 | 0 | 112.3 | |||||
| 102 | N | 36.7 | Very low | 42.4 | Very low | 233 Ų | 233 | 130.8 Ų | 130.8 | 100% | 1.246 | 79% | 0.79 | S | S | * | * | trans | -175.3 | 0 | 133.2 | 179.9 | -4.1 | 0 | 0 | 0 | 107.4 |
Retrieved 102 of 102 residues in 22.9 ms
(Link to these results)