| 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 | 59.9 | Low | 82.4 | Confident | 203 Ų | 203 | 119 Ų | 119 | 100% | 1 | 60% | 0.604 | S | S | * | * | 0 | -27 | 0 | -64.5 | -53.5 | -174.8 | 0 | 0 | 114.8 | K3 L4 H5 | M1-K3 PolarHBondContact O-N 2.81Å; M1-L4 PolarHBondContact O-N 2.74Å; M1-H5 PolarHBondContact O-CD2 3.12Å | |||
| 2 | A | 67 | Low | 83.4 | Confident | 58 Ų | 58 | 115.7 Ų | 115.7 | 48% | 0.479 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -60.8 | -33.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | L4 H5 Y6 | A2-L4 PolarHBondContact O-N 3.24Å; A2-H5 PolarHBondContact O-N 2.84Å; A2-H5 VanDerWaalsContact O-N 3.11Å; A2-Y6 HydrophobicContact CB-CE2 4.17Å; A2-Y6 WeakPolarHBondContact O-CD2 3.46Å; A2-Y6 PolarHBondContact O-N 2.94Å |
| 3 | K | 69.2 | Low | 84.3 | Confident | 191 Ų | 191 | 115.8 Ų | 115.8 | 83% | 0.83 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -61.3 | -31.8 | -177.5 | -67.9 | -179.3 | 179 | 177.2 | 0 | 113.3 | M1 S7 | M1-K3 PolarHBondContact O-N 2.81Å; K3-S7 PolarHBondContact O-N 2.96Å; K3-S7 PolarHBondContact O-OG 2.9Å |
| 4 | L | 82.2 | Confident | 85 | Confident | 129 Ų | 129 | 114.9 Ų | 114.9 | 68% | 0.675 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -72.1 | -35.1 | 177.9 | -168.4 | 69 | 0 | 0 | 0 | 111.6 | M1 A2 S7 F8 | M1-L4 PolarHBondContact O-N 2.74Å; A2-L4 PolarHBondContact O-N 3.24Å; L4-S7 WeakPolarHBondContact CA-OG 3.34Å; L4-S7 PolarHBondContact O-OG 2.91Å; L4-F8 VanDerWaalsContact O-CB 3.26Å; L4-F8 WeakPolarHBondContact O-CB 3.44Å; L4-F8 PolarHBondContact O-N 3.33Å |
| 5 | H | 85.8 | Confident | 85.6 | Confident | 121 Ų | 121 | 113.4 Ų | 113.4 | 56% | 0.56 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65.8 | -44.9 | 178.5 | -70.7 | -80.3 | 0 | 0 | 0 | 112 | M1 A2 F8 I9 | M1-H5 PolarHBondContact O-CD2 3.12Å; A2-H5 PolarHBondContact O-N 2.84Å; A2-H5 VanDerWaalsContact O-N 3.11Å; H5-F8 PolarHBondContact O-N 2.83Å; H5-I9 WeakPolarHBondContact O-CB 3.45Å; H5-I9 WeakPolarHBondContact O-CD1 3.44Å; H5-I9 VanDerWaalsContact O-CG1 3.22Å; H5-I9 WeakPolarHBondContact O-CG1 3.45Å; H5-I9 PolarHBondContact O-N 3.39Å |
| 6 | Y | 86.2 | Confident | 85.9 | Confident | 171 Ų | 171 | 110.5 Ų | 110.5 | 67% | 0.671 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.2 | -41.6 | 179.2 | -66.8 | -67.5 | 0 | 0 | 0 | 112.6 | A2 I9 A10 | A2-Y6 HydrophobicContact CB-CE2 4.17Å; A2-Y6 WeakPolarHBondContact O-CD2 3.46Å; A2-Y6 PolarHBondContact O-N 2.94Å; Y6-I9 PolarHBondContact O-N 3.13Å; Y6-A10 VanDerWaalsContact O-CB 3.31Å; Y6-A10 WeakPolarHBondContact O-CB 3.31Å; Y6-A10 PolarHBondContact O-N 3.31Å |
| 7 | S | 87.7 | Confident | 86.2 | Confident | 63 Ų | 63 | 111.5 Ų | 111.5 | 44% | 0.441 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.5 | -40.4 | 176.4 | 46.4 | 0 | 0 | 0 | 0 | 111.9 | K3 L4 A10 L11 | K3-S7 PolarHBondContact O-N 2.96Å; K3-S7 PolarHBondContact O-OG 2.9Å; L4-S7 WeakPolarHBondContact CA-OG 3.34Å; L4-S7 PolarHBondContact O-OG 2.91Å; S7-A10 PolarHBondContact O-N 3.4Å; S7-L11 WeakPolarHBondContact O-CB 3.35Å; S7-L11 PolarHBondContact O-N 3.06Å |
| 8 | F | 90.6 | Very high | 86.4 | Confident | 124 Ų | 124 | 114.4 Ų | 114.4 | 54% | 0.544 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62.5 | -46.5 | 175.2 | -175.1 | -106 | 0 | 0 | 0 | 112.3 | L4 H5 A10 L11 L12 | L4-F8 VanDerWaalsContact O-CB 3.26Å; L4-F8 WeakPolarHBondContact O-CB 3.44Å; L4-F8 PolarHBondContact O-N 3.33Å; H5-F8 PolarHBondContact O-N 2.83Å; F8-A10 PolarHBondContact O-N 2.87Å; F8-L11 PolarHBondContact O-N 3.38Å; F8-L12 HydrophobicContact CD1-CD1 3.98Å; F8-L12 HydrophobicContact CD1-CG 4.48Å; F8-L12 HydrophobicContact CE1-CD1 3.55Å; F8-L12 HydrophobicContact CE1-CG 4.19Å; F8-L12 HydrophobicContact CZ-CD1 4.07Å; F8-L12 HydrophobicContact CZ-CD2 4.38Å; F8-L12 HydrophobicContact CZ-CG 4.34Å; F8-L12 WeakPolarHBondContact O-CG 3.15Å; F8-L12 PolarHBondContact O-N 3.23Å |
| 9 | I | 90.8 | Very high | 86.4 | Confident | 90 Ų | 90 | 112.8 Ų | 112.8 | 46% | 0.462 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63 | -43.9 | 177.1 | -66.4 | 163.4 | 0 | 0 | 0 | 110.8 | H5 Y6 L11 L12 L13 | H5-I9 WeakPolarHBondContact O-CB 3.45Å; H5-I9 WeakPolarHBondContact O-CD1 3.44Å; H5-I9 VanDerWaalsContact O-CG1 3.22Å; H5-I9 WeakPolarHBondContact O-CG1 3.45Å; H5-I9 PolarHBondContact O-N 3.39Å; Y6-I9 PolarHBondContact O-N 3.13Å; I9-L11 VanDerWaalsContact C-N 3.29Å; I9-L11 PolarHBondContact O-N 3.03Å; I9-L12 PolarHBondContact O-N 3.1Å; I9-L13 HydrophobicContact CG2-CD1 4.11Å; I9-L13 HydrophobicContact CG2-CG 4.46Å; I9-L13 WeakPolarHBondContact O-CG 3.41Å; I9-L13 PolarHBondContact O-N 3Å |
| 10 | A | 93.3 | Very high | 86.4 | Confident | 49 Ų | 49 | 111.4 Ų | 111.4 | 41% | 0.405 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -59.2 | -41.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y6 S7 F8 L13 V14 | Y6-A10 VanDerWaalsContact O-CB 3.31Å; Y6-A10 WeakPolarHBondContact O-CB 3.31Å; Y6-A10 PolarHBondContact O-N 3.31Å; S7-A10 PolarHBondContact O-N 3.4Å; F8-A10 PolarHBondContact O-N 2.87Å; A10-L13 PolarHBondContact O-N 3.14Å; A10-V14 VanDerWaalsContact O-CG2 3.3Å; A10-V14 WeakPolarHBondContact O-CG2 3.38Å; A10-V14 PolarHBondContact O-N 3.45Å |
| 11 | L | 93.8 | Very high | 86 | Confident | 110 Ų | 110 | 109.2 Ų | 109.2 | 58% | 0.576 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.7 | -42.3 | 177.2 | -172.9 | 132.5 | 0 | 0 | 0 | 112.1 | S7 F8 I9 L13 V14 L15 | S7-L11 WeakPolarHBondContact O-CB 3.35Å; S7-L11 PolarHBondContact O-N 3.06Å; F8-L11 PolarHBondContact O-N 3.38Å; I9-L11 VanDerWaalsContact C-N 3.29Å; I9-L11 PolarHBondContact O-N 3.03Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L11-L13 PolarHBondContact O-N 3.17Å; L11-V14 PolarHBondContact O-N 3.39Å; L11-L15 VanDerWaalsContact O-CB 3.28Å; L11-L15 WeakPolarHBondContact O-CB 3.42Å; L11-L15 PolarHBondContact O-N 2.98Å |
| 12 | L | 94.6 | Very high | 86.7 | Confident | 79 Ų | 79 | 101.6 Ų | 101.6 | 41% | 0.414 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.8 | -41.5 | 174.7 | -69.9 | 178.6 | 0 | 0 | 0 | 112.2 | F8 I9 S16 | F8-L12 HydrophobicContact CD1-CD1 3.98Å; F8-L12 HydrophobicContact CD1-CG 4.48Å; F8-L12 HydrophobicContact CE1-CD1 3.55Å; F8-L12 HydrophobicContact CE1-CG 4.19Å; F8-L12 HydrophobicContact CZ-CD1 4.07Å; F8-L12 HydrophobicContact CZ-CD2 4.38Å; F8-L12 HydrophobicContact CZ-CG 4.34Å; F8-L12 WeakPolarHBondContact O-CG 3.15Å; F8-L12 PolarHBondContact O-N 3.23Å; I9-L12 PolarHBondContact O-N 3.1Å; L12-S16 WeakPolarHBondContact O-CB 3.42Å; L12-S16 PolarHBondContact O-N 3.04Å; L12-S16 PolarHBondContact O-OG 3.12Å |
| 13 | L | 94.7 | Very high | 86.8 | Confident | 118 Ų | 118 | 104.7 Ų | 104.7 | 62% | 0.618 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.9 | -46.5 | 178.3 | -70.4 | 173.4 | 0 | 0 | 0 | 111.9 | I9 A10 L11 S16 L17 | I9-L13 HydrophobicContact CG2-CD1 4.11Å; I9-L13 HydrophobicContact CG2-CG 4.46Å; I9-L13 WeakPolarHBondContact O-CG 3.41Å; I9-L13 PolarHBondContact O-N 3Å; A10-L13 PolarHBondContact O-N 3.14Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L11-L13 PolarHBondContact O-N 3.17Å; L13-S16 PolarHBondContact O-N 3.24Å; L13-L17 WeakPolarHBondContact O-CB 3.23Å; L13-L17 PolarHBondContact O-N 3.33Å |
| 14 | V | 94.7 | Very high | 86.4 | Confident | 103 Ų | 103 | 99 Ų | 99 | 62% | 0.624 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.6 | -44.6 | 178.5 | 171 | 0 | 0 | 0 | 0 | 111 | A10 L11 L17 Y18 | A10-V14 VanDerWaalsContact O-CG2 3.3Å; A10-V14 WeakPolarHBondContact O-CG2 3.38Å; A10-V14 PolarHBondContact O-N 3.45Å; L11-V14 PolarHBondContact O-N 3.39Å; V14-L17 PolarHBondContact O-N 3.41Å; V14-Y18 WeakPolarHBondContact O-CB 2.97Å; V14-Y18 PolarHBondContact O-N 3.34Å |
| 15 | L | 92.8 | Very high | 85.4 | Confident | 92 Ų | 92 | 100.7 Ų | 100.7 | 48% | 0.482 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.7 | -43.6 | 179 | -176.3 | 63.6 | 0 | 0 | 0 | 111.8 | L11 Y18 L19 | L11-L15 VanDerWaalsContact O-CB 3.28Å; L11-L15 WeakPolarHBondContact O-CB 3.42Å; L11-L15 PolarHBondContact O-N 2.98Å; L15-Y18 PolarHBondContact O-N 3.21Å; L15-L19 HydrophobicContact CD1-CD1 4.48Å; L15-L19 HydrophobicContact CG-CD1 4.15Å; L15-L19 WeakPolarHBondContact O-CG 3.21Å; L15-L19 PolarHBondContact O-N 3.24Å |
| 16 | S | 91.2 | Very high | 84 | Confident | 67 Ų | 67 | 103.8 Ų | 103.8 | 47% | 0.469 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 177.3 | -58.7 | 0 | 0 | 0 | 0 | 111.5 | L12 L13 L19 C20 | L12-S16 WeakPolarHBondContact O-CB 3.42Å; L12-S16 PolarHBondContact O-N 3.04Å; L12-S16 PolarHBondContact O-OG 3.12Å; L13-S16 PolarHBondContact O-N 3.24Å; S16-L19 PolarHBondContact O-N 3.17Å; S16-C20 WeakPolarHBondContact O-CB 3.37Å; S16-C20 PolarHBondContact O-N 3.3Å; S16-C20 PolarHBondContact O-SG 3.32Å |
| 17 | L | 90.9 | Very high | 82.6 | Confident | 127 Ų | 127 | 105.5 Ų | 105.5 | 67% | 0.665 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.8 | -41.5 | 177.6 | -172.6 | 63.3 | 0 | 0 | 0 | 111.8 | L13 V14 C20 D21 | L13-L17 WeakPolarHBondContact O-CB 3.23Å; L13-L17 PolarHBondContact O-N 3.33Å; V14-L17 PolarHBondContact O-N 3.41Å; L17-C20 PolarHBondContact O-N 3.46Å; L17-D21 PolarHBondContact O-N 3.14Å |
| 18 | Y | 90.2 | Very high | 81 | Confident | 165 Ų | 165 | 105.8 Ų | 105.8 | 65% | 0.647 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.8 | -44.6 | 176.7 | -178.8 | -96.6 | 0 | 0 | 0 | 112.2 | V14 L15 D21 A22 | V14-Y18 WeakPolarHBondContact O-CB 2.97Å; V14-Y18 PolarHBondContact O-N 3.34Å; L15-Y18 PolarHBondContact O-N 3.21Å; Y18-D21 PolarHBondContact O-N 3.09Å; Y18-A22 WeakPolarHBondContact O-CB 3.5Å; Y18-A22 PolarHBondContact O-N 3.01Å |
| 19 | L | 86.5 | Confident | 79.4 | Confident | 83 Ų | 83 | 109.9 Ų | 109.9 | 44% | 0.435 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.7 | -45.9 | 175.4 | -76.2 | 161.2 | 0 | 0 | 0 | 111.3 | L15 S16 D21 A22 H23 | L15-L19 HydrophobicContact CD1-CD1 4.48Å; L15-L19 HydrophobicContact CG-CD1 4.15Å; L15-L19 WeakPolarHBondContact O-CG 3.21Å; L15-L19 PolarHBondContact O-N 3.24Å; S16-L19 PolarHBondContact O-N 3.17Å; L19-D21 PolarHBondContact O-N 3.18Å; L19-A22 PolarHBondContact O-N 3.34Å; L19-H23 PolarHBondContact O-CD2 3.05Å; L19-H23 PolarHBondContact O-N 3Å |
| 20 | C | 85.7 | Confident | 77.8 | Confident | 85 Ų | 85 | 113.6 Ų | 113.6 | 57% | 0.574 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -58.4 | -44.7 | 176.7 | -73.5 | 0 | 0 | 0 | 0 | 112.3 | S16 L17 H23 S24 | S16-C20 WeakPolarHBondContact O-CB 3.37Å; S16-C20 PolarHBondContact O-N 3.3Å; S16-C20 PolarHBondContact O-SG 3.32Å; L17-C20 PolarHBondContact O-N 3.46Å; C20-H23 PolarHBondContact O-N 2.94Å; C20-S24 WeakPolarHBondContact O-CB 3.44Å; C20-S24 PolarHBondContact O-N 3.24Å |
| 21 | D | 78.7 | Confident | 76 | Confident | 65 Ų | 65 | 115.4 Ų | 115.4 | 35% | 0.348 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.1 | -43.2 | 177.3 | -174.5 | 49.3 | 0 | 0 | 0 | 111.9 | L17 Y18 L19 H23 S24 R25 | L17-D21 PolarHBondContact O-N 3.14Å; Y18-D21 PolarHBondContact O-N 3.09Å; L19-D21 PolarHBondContact O-N 3.18Å; D21-H23 VanDerWaalsContact C-N 3.32Å; D21-H23 PolarHBondContact O-N 3.02Å; D21-S24 WeakPolarHBondContact O-CB 3.44Å; D21-S24 PolarHBondContact O-N 2.94Å; D21-R25 WeakPolarHBondContact O-CG 3.33Å; D21-R25 PolarHBondContact O-N 2.86Å; D21-R25 IonicContact OD1-NE 2.84Å; D21-R25 PolarHBondContact OD1-NE 3.18Å; D21-R25 IonicContact OD1-NH2 2.76Å; D21-R25 IonicContact OD2-CZ 3.96Å; D21-R25 IonicContact OD2-NE 3.15Å; D21-R25 PolarHBondContact OD2-NE 3.07Å; D21-R25 IonicContact OD2-NH2 3.46Å; D21-R25 PolarHBondContact OD2-NH2 3Å |
| 22 | A | 74.6 | Confident | 74.4 | Confident | 43 Ų | 43 | 119.1 Ų | 119.1 | 36% | 0.355 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -60.6 | -40.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y18 L19 R26 | Y18-A22 WeakPolarHBondContact O-CB 3.5Å; Y18-A22 PolarHBondContact O-N 3.01Å; L19-A22 PolarHBondContact O-N 3.34Å; A22-R26 PolarHBondContact O-N 3.43Å |
| 23 | H | 68.6 | Low | 73 | Confident | 123 Ų | 123 | 120.7 Ų | 120.7 | 57% | 0.569 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -69.7 | -38.1 | 176.1 | -77.7 | -65.8 | 0 | 0 | 0 | 112.8 | L19 C20 D21 R26 R27 | L19-H23 PolarHBondContact O-CD2 3.05Å; L19-H23 PolarHBondContact O-N 3Å; C20-H23 PolarHBondContact O-N 2.94Å; D21-H23 VanDerWaalsContact C-N 3.32Å; D21-H23 PolarHBondContact O-N 3.02Å; H23-R26 PolarHBondContact O-N 3.35Å; H23-R27 PolarHBondContact O-N 3.31Å |
| 24 | S | 61.2 | Low | 71.8 | Confident | 72 Ų | 72 | 120.3 Ų | 120.3 | 50% | 0.503 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -58.7 | -49.6 | 173.7 | 159.4 | 0 | 0 | 0 | 0 | 111.6 | C20 D21 R26 R27 S28 | C20-S24 WeakPolarHBondContact O-CB 3.44Å; C20-S24 PolarHBondContact O-N 3.24Å; D21-S24 WeakPolarHBondContact O-CB 3.44Å; D21-S24 PolarHBondContact O-N 2.94Å; S24-R26 VanDerWaalsContact C-N 3.31Å; S24-R26 PolarHBondContact O-N 3.4Å; S24-R27 PolarHBondContact O-N 2.98Å; S24-S28 PolarHBondContact O-N 3.44Å; S24-S28 VanDerWaalsContact O-N 3.14Å |
| 25 | R | 59.8 | Low | 70.5 | Confident | 164 Ų | 164 | 120.9 Ų | 120.9 | 62% | 0.619 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -62.3 | -36.2 | 180 | -69.1 | 178.4 | -168.5 | -147.2 | 7.4 | 112.7 | D21 R29 | D21-R25 WeakPolarHBondContact O-CG 3.33Å; D21-R25 PolarHBondContact O-N 2.86Å; D21-R25 IonicContact OD1-NE 2.84Å; D21-R25 PolarHBondContact OD1-NE 3.18Å; D21-R25 IonicContact OD1-NH2 2.76Å; D21-R25 IonicContact OD2-CZ 3.96Å; D21-R25 IonicContact OD2-NE 3.15Å; D21-R25 PolarHBondContact OD2-NE 3.07Å; D21-R25 IonicContact OD2-NH2 3.46Å; D21-R25 PolarHBondContact OD2-NH2 3Å; R25-R29 PolarHBondContact O-N 3.39Å |
| 26 | R | 58.2 | Low | 69.5 | Low | 186 Ų | 186 | 121.7 Ų | 121.7 | 70% | 0.702 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.3 | -47.1 | 175.5 | -87.9 | -172.7 | 172.5 | -116.9 | 4.1 | 111.9 | A22 H23 S24 S28 R29 E30 | A22-R26 PolarHBondContact O-N 3.43Å; H23-R26 PolarHBondContact O-N 3.35Å; S24-R26 VanDerWaalsContact C-N 3.31Å; S24-R26 PolarHBondContact O-N 3.4Å; R26-S28 VanDerWaalsContact C-N 3.28Å; R26-S28 PolarHBondContact O-N 2.96Å; R26-R29 PolarHBondContact O-N 3.39Å; R26-R29 VanDerWaalsContact O-N 3.12Å; R26-E30 PolarHBondContact O-N 3Å; R26-E30 VanDerWaalsContact O-N 3.13Å |
| 27 | R | 56.6 | Low | 68.3 | Low | 208 Ų | 208 | 124.6 Ų | 124.6 | 79% | 0.785 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -63.5 | -33.4 | 179 | -72.7 | -163.3 | 177.9 | -157.2 | 1.3 | 113 | H23 S24 R29 E30 S31 | H23-R27 PolarHBondContact O-N 3.31Å; S24-R27 PolarHBondContact O-N 2.98Å; R27-R29 VanDerWaalsContact C-N 3.31Å; R27-R29 PolarHBondContact O-N 2.97Å; R27-E30 PolarHBondContact O-N 2.97Å; R27-S31 PolarHBondContact O-N 2.76Å; R27-S31 VanDerWaalsContact O-N 3.14Å; R27-S31 PolarHBondContact O-OG 2.94Å |
| 28 | S | 54.1 | Low | 67 | Low | 68 Ų | 68 | 121 Ų | 121 | 48% | 0.476 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -68 | -28.4 | 176.1 | -169.1 | 0 | 0 | 0 | 0 | 113.5 | S24 R26 S31 | S24-S28 PolarHBondContact O-N 3.44Å; S24-S28 VanDerWaalsContact O-N 3.14Å; R26-S28 VanDerWaalsContact C-N 3.28Å; R26-S28 PolarHBondContact O-N 2.96Å; S28-S31 PolarHBondContact O-OG 3.22Å |
| 29 | R | 56.5 | Low | 65.5 | Low | 211 Ų | 211 | 118.6 Ų | 118.6 | 80% | 0.796 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -77.3 | -38.5 | 173.6 | -79.2 | -174 | 171.4 | -177.4 | -2.3 | 112.2 | R25 R26 R27 S31 R32 | R25-R29 PolarHBondContact O-N 3.39Å; R26-R29 PolarHBondContact O-N 3.39Å; R26-R29 VanDerWaalsContact O-N 3.12Å; R27-R29 VanDerWaalsContact C-N 3.31Å; R27-R29 PolarHBondContact O-N 2.97Å; R29-S31 VanDerWaalsContact C-N 3.29Å; R29-S31 PolarHBondContact O-N 2.84Å; R29-R32 PolarHBondContact O-N 3.34Å |
| 30 | E | 57.4 | Low | 64 | Low | 167 Ų | 167 | 125.6 Ų | 125.6 | 78% | 0.78 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -66.9 | -30.7 | 178.8 | -147.1 | 97 | -164.5 | 0 | 0 | 112.5 | R26 R27 R32 | R26-E30 PolarHBondContact O-N 3Å; R26-E30 VanDerWaalsContact O-N 3.13Å; R27-E30 PolarHBondContact O-N 2.97Å; E30-R32 VanDerWaalsContact C-N 3.26Å; E30-R32 PolarHBondContact O-N 3.46Å |
| 31 | S | 55.8 | Low | 62.2 | Low | 87 Ų | 87 | 128.7 Ų | 128.7 | 61% | 0.608 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | 0.1 | -178.9 | 63.2 | 0 | 0 | 0 | 0 | 114.4 | R27 S28 R29 P33 | R27-S31 PolarHBondContact O-N 2.76Å; R27-S31 VanDerWaalsContact O-N 3.14Å; R27-S31 PolarHBondContact O-OG 2.94Å; S28-S31 PolarHBondContact O-OG 3.22Å; R29-S31 VanDerWaalsContact C-N 3.29Å; R29-S31 PolarHBondContact O-N 2.84Å; S31-P33 VanDerWaalsContact O-CD 3.31Å; S31-P33 WeakPolarHBondContact O-CD 3.48Å |
| 32 | R | 59.9 | Low | 60.5 | Low | 189 Ų | 189 | 129.5 Ų | 129.5 | 71% | 0.713 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -80.7 | 115.9 | 174 | -73.1 | -176.2 | -176.4 | -172.9 | -1.5 | 107.9 | R29 E30 | R29-R32 PolarHBondContact O-N 3.34Å; E30-R32 VanDerWaalsContact C-N 3.26Å; E30-R32 PolarHBondContact O-N 3.46Å |
| 33 | P | 64.9 | Low | 59.3 | Low | 111 Ų | 111 | 136.2 Ų | 136.2 | 72% | 0.721 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 141.2 | 171.2 | 23.4 | -30.7 | 0 | 0 | 0 | 108.4 | S31 | S31-P33 VanDerWaalsContact O-CD 3.31Å; S31-P33 WeakPolarHBondContact O-CD 3.48Å |
| 34 | P | 69.3 | Low | 57.9 | Low | 111 Ų | 111 | 133.2 Ų | 133.2 | 72% | 0.721 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 143.5 | 171.2 | 24 | -32.3 | 0 | 0 | 0 | 108.5 | ||
| 35 | P | 67.9 | Low | 57.1 | Low | 114 Ų | 114 | 138 Ų | 138 | 74% | 0.74 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 139.2 | 174.4 | 23.7 | -32 | 0 | 0 | 0 | 108.4 | ||
| 36 | P | 71.4 | Confident | 56.6 | Low | 110 Ų | 110 | 139 Ų | 139 | 71% | 0.714 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 143.3 | 177.2 | 23.2 | -32.3 | 0 | 0 | 0 | 108.6 | G38 | P36-G38 PolarHBondContact O-N 3.46Š|
| 37 | P | 67.2 | Low | 56.3 | Low | 128 Ų | 128 | 133.4 Ų | 133.4 | 83% | 0.831 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 117.5 | 169 | 22.5 | -29.8 | 0 | 0 | 0 | 106.5 | ||
| 38 | G | 61.9 | Low | 55.9 | Low | 51 Ų | 51 | 129.5 Ų | 129.5 | 53% | 0.526 | 73% | 0.727 | S | S | . | * | P | Polyproline II helix | trans | -53.7 | 159.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | P36 R40 | P36-G38 PolarHBondContact O-N 3.46Å; G38-R40 PolarHBondContact O-N 3.15Å |
| 39 | P | 60.3 | Low | 55.8 | Low | 114 Ų | 114 | 134.5 Ų | 134.5 | 74% | 0.74 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 116.4 | 173.4 | -19.2 | 30.2 | 0 | 0 | 0 | 107.6 | D41 | P39-D41 PolarHBondContact O-N 3.28Š|
| 40 | R | 53.7 | Low | 55.5 | Low | 230 Ų | 230 | 131.8 Ų | 131.8 | 87% | 0.868 | 74% | 0.744 | S | S | * | * | trans | -64.9 | 94.1 | 161.9 | -83.2 | -179.1 | 164 | 174.7 | -5 | 104.2 | G38 S42 | G38-R40 PolarHBondContact O-N 3.15Å; R40-S42 WeakPolarHBondContact O-CB 3.41Å; R40-S42 PolarHBondContact O-N 3.17Å; R40-S42 PolarHBondContact O-OG 2.69Å | ||
| 41 | D | 47.3 | Very low | 55.7 | Low | 150 Ų | 150 | 127.7 Ų | 127.7 | 80% | 0.802 | 73% | 0.734 | S | S | * | * | trans | -53.2 | 93.7 | 172.3 | -68.3 | -44.3 | 0 | 0 | 0 | 107.8 | P39 | P39-D41 PolarHBondContact O-N 3.28Š| ||
| 42 | S | 43.9 | Very low | 56.4 | Low | 83 Ų | 83 | 129.6 Ų | 129.6 | 58% | 0.58 | 74% | 0.744 | S | S | * | * | trans | -119.2 | 33.9 | -176 | -51 | 0 | 0 | 0 | 0 | 109.5 | R40 | R40-S42 WeakPolarHBondContact O-CB 3.41Å; R40-S42 PolarHBondContact O-N 3.17Å; R40-S42 PolarHBondContact O-OG 2.69Å | ||
| 43 | H | 49.8 | Very low | 56.8 | Low | 183 Ų | 183 | 126.1 Ų | 126.1 | 85% | 0.847 | 75% | 0.746 | S | S | * | * | trans | -153.7 | 112.9 | 165.9 | -67 | -64.2 | 0 | 0 | 0 | 104.7 | ||||
| 44 | G | 39.5 | Very low | 57.2 | Low | 61 Ų | 61 | 126.2 Ų | 126.2 | 63% | 0.629 | 75% | 0.747 | S | S | * | * | 82.7 | 93.5 | 60.4 | 0 | 0 | 0 | 0 | 0 | 108 | |||||
| 45 | H | 43.5 | Very low | 57.4 | Low | 171 Ų | 171 | 126.9 Ų | 126.9 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | trans | 64.4 | 119.2 | 162.2 | -57.9 | -69.3 | 0 | 0 | 0 | 118.4 | ||||
| 46 | H | 50.4 | Low | 57.4 | Low | 186 Ų | 186 | 126.2 Ų | 126.2 | 86% | 0.861 | 76% | 0.755 | S | S | * | * | 154.5 | 98.8 | 120.4 | -76 | -59.7 | 0 | 0 | 0 | 112.2 | |||||
| 47 | G | 52 | Low | 57.3 | Low | 69 Ų | 69 | 131.9 Ų | 131.9 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | trans | 64.4 | 142.7 | 136.9 | 0 | 0 | 0 | 0 | 0 | 120.9 | H49 | G47-H49 PolarHBondContact O-N 2.79Š| ||
| 48 | P | 46.2 | Very low | 57.5 | Low | 125 Ų | 125 | 131.9 Ų | 131.9 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | trans | -73.8 | 113.1 | 172.4 | 31.3 | -29.1 | 0 | 0 | 0 | 108.8 | ||||
| 49 | H | 53.4 | Low | 57.9 | Low | 174 Ų | 174 | 140.7 Ų | 140.7 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | trans | -106.6 | 97 | 171.3 | -140.7 | -81.3 | 0 | 0 | 0 | 109.3 | G47 S51 | G47-H49 PolarHBondContact O-N 2.79Å; H49-S51 PolarHBondContact O-N 3.15Å; H49-S51 VanDerWaalsContact O-N 3.12Å | ||
| 50 | D | 49.6 | Very low | 58.4 | Low | 153 Ų | 153 | 140.2 Ų | 140.2 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -59.4 | 101.2 | 167.8 | -74.3 | -64 | 0 | 0 | 0 | 110.5 | ||||
| 51 | S | 61.1 | Low | 59.1 | Low | 82 Ų | 82 | 135.1 Ų | 135.1 | 57% | 0.573 | 77% | 0.773 | S | S | * | * | trans | -159.8 | 115.5 | 161.9 | -50.6 | 0 | 0 | 0 | 0 | 109.9 | H49 | H49-S51 PolarHBondContact O-N 3.15Å; H49-S51 VanDerWaalsContact O-N 3.12Å | ||
| 52 | P | 71.2 | Confident | 59.7 | Low | 127 Ų | 127 | 133.9 Ų | 133.9 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 131.3 | 174.2 | 25.8 | -30.9 | 0 | 0 | 0 | 110.4 | ||
| 53 | P | 69.3 | Low | 60.3 | Low | 116 Ų | 116 | 136.7 Ų | 136.7 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 147.2 | 174.7 | 26.6 | -32.5 | 0 | 0 | 0 | 111 | ||
| 54 | P | 72.2 | Confident | 60.7 | Low | 112 Ų | 112 | 138.9 Ų | 138.9 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 152.9 | 177.2 | 26.1 | -33.8 | 0 | 0 | 0 | 111.5 | A56 | P54-A56 PolarHBondContact O-N 3.26Š|
| 55 | P | 72.8 | Confident | 60.9 | Low | 126 Ų | 126 | 139.6 Ų | 139.6 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 116.9 | -179.6 | 23.4 | -32.2 | 0 | 0 | 0 | 110.4 | R57 | P55-R57 PolarHBondContact O-N 3.1Š|
| 56 | A | 68.8 | Low | 61.5 | Low | 99 Ų | 99 | 136.2 Ų | 136.2 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -62 | 117.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | P54 | P54-A56 PolarHBondContact O-N 3.26Š|
| 57 | R | 69.1 | Low | 61.6 | Low | 230 Ų | 230 | 137 Ų | 137 | 87% | 0.868 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 147.2 | 174.4 | -69.2 | -175.8 | 178.8 | -139.1 | 0.5 | 110.4 | P55 R59 | P55-R57 PolarHBondContact O-N 3.1Å; R57-R59 PolarHBondContact O-N 2.73Å; R57-R59 VanDerWaalsContact O-N 3.09Å |
| 58 | P | 72.2 | Confident | 61.8 | Low | 128 Ų | 128 | 142.3 Ų | 142.3 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 116.4 | 175.1 | -15.7 | 28 | 0 | 0 | 0 | 109.7 | ||
| 59 | R | 69.2 | Low | 62.7 | Low | 236 Ų | 236 | 144.7 Ų | 144.7 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 129.8 | 165.8 | -102.7 | -175.7 | 174.7 | -157.4 | -0.2 | 108.4 | R57 | R57-R59 PolarHBondContact O-N 2.73Å; R57-R59 VanDerWaalsContact O-N 3.09Å |
| 60 | P | 72 | Confident | 63.6 | Low | 104 Ų | 104 | 141.2 Ų | 141.2 | 68% | 0.675 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 147.9 | 174 | 26.6 | -32.5 | 0 | 0 | 0 | 110.5 | V62 | P60-V62 PolarHBondContact O-N 3.02Š|
| 61 | P | 66.8 | Low | 64.8 | Low | 122 Ų | 122 | 139.4 Ų | 139.4 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | trans | -67.6 | 110.8 | -179.8 | 26.4 | -31.1 | 0 | 0 | 0 | 109.6 | T63 | P61-T63 PolarHBondContact O-N 2.97Å; P61-T63 VanDerWaalsContact O-N 3.1Å | ||
| 62 | V | 60.5 | Low | 65.4 | Low | 125 Ų | 125 | 140.3 Ų | 140.3 | 76% | 0.758 | 79% | 0.788 | S | S | * | * | trans | -68.1 | 104.2 | 169.5 | -83.4 | 0 | 0 | 0 | 0 | 109.1 | P60 R64 | P60-V62 PolarHBondContact O-N 3.02Å; V62-R64 PolarHBondContact O-N 2.92Å | ||
| 63 | T | 56.7 | Low | 65.2 | Low | 141 Ų | 141 | 139.8 Ų | 139.8 | 87% | 0.865 | 79% | 0.788 | S | S | * | * | trans | -70 | 67.8 | 171.1 | 39.6 | 0 | 0 | 0 | 0 | 110.7 | P61 G65 | P61-T63 PolarHBondContact O-N 2.97Å; P61-T63 VanDerWaalsContact O-N 3.1Å; T63-G65 VanDerWaalsContact C-N 3.3Å; T63-G65 PolarHBondContact O-N 3.4Å; T63-G65 VanDerWaalsContact O-N 3.15Å | ||
| 64 | R | 57.5 | Low | 65 | Low | 229 Ų | 229 | 142 Ų | 142 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | -84.7 | 80.7 | 166 | -79.5 | -174 | 176.4 | 178.6 | -1.5 | 109.1 | V62 S66 | V62-R64 PolarHBondContact O-N 2.92Å; R64-S66 PolarHBondContact O-N 3.37Å | ||
| 65 | G | 43.6 | Very low | 64.9 | Low | 76 Ų | 76 | 147.1 Ų | 147.1 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | trans | -59.1 | 102.7 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | T63 | T63-G65 VanDerWaalsContact C-N 3.3Å; T63-G65 PolarHBondContact O-N 3.4Å; T63-G65 VanDerWaalsContact O-N 3.15Å | ||
| 66 | S | 56.2 | Low | 64.6 | Low | 100 Ų | 100 | 147 Ų | 147 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | trans | -93.7 | 112 | 170.2 | 40.3 | 0 | 0 | 0 | 0 | 108.2 | R64 H68 | R64-S66 PolarHBondContact O-N 3.37Å; S66-H68 PolarHBondContact O-N 3.25Å; S66-H68 VanDerWaalsContact O-N 3.17Å | ||
| 67 | K | 52.3 | Low | 64.6 | Low | 203 Ų | 203 | 147.4 Ų | 147.4 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | -64.9 | 108.5 | 173.7 | -62.5 | 175.9 | -179.4 | 179.7 | 0 | 108.1 | H69 | K67-H69 PolarHBondContact O-N 3.01Š| ||
| 68 | H | 56.7 | Low | 64.5 | Low | 180 Ų | 180 | 142.2 Ų | 142.2 | 83% | 0.833 | 78% | 0.78 | S | S | * | * | trans | -82.7 | 109.6 | 169.5 | -104.3 | 30.9 | 0 | 0 | 0 | 109.2 | S66 | S66-H68 PolarHBondContact O-N 3.25Å; S66-H68 VanDerWaalsContact O-N 3.17Å | ||
| 69 | H | 66 | Low | 63.9 | Low | 175 Ų | 175 | 144.4 Ų | 144.4 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 134.2 | 163.7 | -107.6 | -80.6 | 0 | 0 | 0 | 108.9 | K67 | K67-H69 PolarHBondContact O-N 3.01Š|
| 70 | P | 71.5 | Confident | 63.4 | Low | 102 Ų | 102 | 136.1 Ų | 136.1 | 66% | 0.662 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -66 | 144.8 | 171.8 | 27.1 | -32.3 | 0 | 0 | 0 | 110.1 | ||
| 71 | P | 74.7 | Confident | 63 | Low | 114 Ų | 114 | 137.1 Ų | 137.1 | 74% | 0.74 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 151.5 | 174.7 | 26.5 | -33.2 | 0 | 0 | 0 | 110.9 | S73 | P71-S73 PolarHBondContact O-N 3.46Š|
| 72 | P | 73.8 | Confident | 62.4 | Low | 101 Ų | 101 | 137.5 Ų | 137.5 | 66% | 0.656 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 130.7 | 176.8 | 21.7 | -30.2 | 0 | 0 | 0 | 110.7 | H74 | P72-H74 PolarHBondContact O-N 2.94Š|
| 73 | S | 68.1 | Low | 61.6 | Low | 116 Ų | 116 | 135.2 Ų | 135.2 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | -76.5 | 89.5 | -179.9 | -155.8 | 0 | 0 | 0 | 0 | 109.5 | P71 R75 | P71-S73 PolarHBondContact O-N 3.46Å; S73-R75 PolarHBondContact O-N 3.44Å | ||
| 74 | H | 64.7 | Low | 60.8 | Low | 164 Ų | 164 | 132.2 Ų | 132.2 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | trans | -77.4 | 96.4 | 167.3 | -63.7 | -69.5 | 0 | 0 | 0 | 108.3 | P72 P76 | P72-H74 PolarHBondContact O-N 2.94Å; H74-P76 WeakPolarHBondContact O-CD 3.43Å | ||
| 75 | R | 69 | Low | 60.3 | Low | 219 Ų | 219 | 126.8 Ų | 126.8 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 124.6 | 165 | -77.1 | -174 | 177.6 | -156.5 | -0.2 | 108 | S73 V77 | S73-R75 PolarHBondContact O-N 3.44Å; R75-V77 PolarHBondContact O-N 2.94Å |
| 76 | P | 68.2 | Low | 60.6 | Low | 122 Ų | 122 | 132 Ų | 132 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 123.9 | 169.5 | 23.9 | -29.4 | 0 | 0 | 0 | 108.6 | H74 P78 | H74-P76 WeakPolarHBondContact O-CD 3.43Å; P76-P78 WeakPolarHBondContact O-CD 3.28Å |
| 77 | V | 67.5 | Low | 60.6 | Low | 109 Ų | 109 | 134.7 Ų | 134.7 | 66% | 0.661 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 122.7 | 168.2 | 177.4 | 0 | 0 | 0 | 0 | 106.7 | R75 H79 | R75-V77 PolarHBondContact O-N 2.94Å; V77-H79 PolarHBondContact O-N 3.45Å; V77-H79 PolarHBondContact O-ND1 2.94Å |
| 78 | P | 66.9 | Low | 61.1 | Low | 120 Ų | 120 | 130.1 Ų | 130.1 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | trans | -60.9 | 110.8 | 174.1 | -17.7 | 29.6 | 0 | 0 | 0 | 108.7 | P76 G80 | P76-P78 WeakPolarHBondContact O-CD 3.28Å; P78-G80 PolarHBondContact O-N 3.26Å; P78-G80 VanDerWaalsContact O-N 3.17Å | ||
| 79 | H | 61.1 | Low | 61.3 | Low | 175 Ų | 175 | 127.2 Ų | 127.2 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | trans | -71 | 106.9 | 165.9 | -71.3 | 5.4 | 0 | 0 | 0 | 106.8 | V77 | V77-H79 PolarHBondContact O-N 3.45Å; V77-H79 PolarHBondContact O-ND1 2.94Å | ||
| 80 | G | 58.6 | Low | 61.1 | Low | 61 Ų | 61 | 125 Ų | 125 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 144.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | P78 | P78-G80 PolarHBondContact O-N 3.26Å; P78-G80 VanDerWaalsContact O-N 3.17Å |
| 81 | P | 61.6 | Low | 60.2 | Low | 126 Ų | 126 | 131.2 Ų | 131.2 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 138.7 | -178.6 | 25 | -31.6 | 0 | 0 | 0 | 110.2 | G83 | P81-G83 PolarHBondContact O-N 3.5Š|
| 82 | P | 54.5 | Low | 58.7 | Low | 129 Ų | 129 | 128.9 Ų | 128.9 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 121.8 | -180 | 28.9 | -30.9 | 0 | 0 | 0 | 110 | ||
| 83 | G | 45.3 | Very low | 57.4 | Low | 78 Ų | 78 | 132.4 Ų | 132.4 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | 47 | 101.9 | 148.6 | 0 | 0 | 0 | 0 | 0 | 120.6 | P81 | P81-G83 PolarHBondContact O-N 3.5Š| ||
| 84 | G | 39.5 | Very low | 56.4 | Low | 78 Ų | 78 | 133.1 Ų | 133.1 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | 67.2 | 163.6 | 136.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 85 | P | 46.9 | Very low | 55.8 | Low | 115 Ų | 115 | 136.1 Ų | 136.1 | 75% | 0.747 | 79% | 0.792 | S | S | * | * | cis | -124.3 | 159.1 | 8.1 | 36.9 | -20.1 | 0 | 0 | 0 | 114.6 | ||||
| 86 | H | 49.1 | Very low | 55.1 | Low | 184 Ų | 184 | 129.7 Ų | 129.7 | 85% | 0.852 | 79% | 0.794 | S | S | * | * | trans | 35.1 | 101.2 | 147.9 | -81.2 | -117.6 | 0 | 0 | 0 | 118.9 | ||||
| 87 | N | 57 | Low | 54.7 | Low | 158 Ų | 158 | 134.4 Ų | 134.4 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | trans | -129.8 | 127.6 | 146.4 | -96.8 | -36.2 | 0 | 0 | 0 | 109.5 | ||||
| 88 | P | 62.5 | Low | 54.5 | Low | 107 Ų | 107 | 132 Ų | 132 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | trans | -68.2 | 153.7 | 178.4 | 29.2 | -33 | 0 | 0 | 0 | 110.7 | P90 | P88-P90 WeakPolarHBondContact O-CD 3.3Š| ||
| 89 | P | 61.3 | Low | 54.9 | Low | 119 Ų | 119 | 130.4 Ų | 130.4 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | trans | -67.2 | 126.2 | -179.9 | 27.3 | -31.9 | 0 | 0 | 0 | 109.7 | R91 | P89-R91 PolarHBondContact O-N 3.36Š| ||
| 90 | P | 60.5 | Low | 55.8 | Low | 127 Ų | 127 | 124.6 Ų | 124.6 | 83% | 0.825 | 75% | 0.752 | S | S | * | * | trans | -72.6 | 106.4 | 165.3 | 24.6 | -20.1 | 0 | 0 | 0 | 107.9 | P88 | P88-P90 WeakPolarHBondContact O-CD 3.3Š| ||
| 91 | R | 52.6 | Low | 56.6 | Low | 234 Ų | 234 | 125.6 Ų | 125.6 | 88% | 0.883 | 75% | 0.746 | S | S | * | * | trans | -3.1 | 129.6 | 147.6 | -96.7 | 168.9 | 162.1 | 165.1 | -5.4 | 115.2 | P89 | P89-R91 PolarHBondContact O-N 3.36Š| ||
| 92 | G | 43.8 | Very low | 57.5 | Low | 65 Ų | 65 | 122.1 Ų | 122.1 | 67% | 0.67 | 73% | 0.725 | S | S | * | * | trans | -61 | 142.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 93 | H | 47.3 | Very low | 58.9 | Low | 175 Ų | 175 | 120.5 Ų | 120.5 | 81% | 0.81 | 71% | 0.705 | S | S | * | * | trans | -128.1 | 91.6 | 150.9 | -60.6 | -32.1 | 0 | 0 | 0 | 107.4 | R95 | H93-R95 PolarHBondContact O-N 2.96Š| ||
| 94 | S | 47.6 | Very low | 60.8 | Low | 130 Ų | 130 | 124 Ų | 124 | 91% | 0.909 | 70% | 0.7 | S | S | * | * | trans | -68.7 | 80.8 | 164.3 | -51.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 95 | R | 52 | Low | 62.7 | Low | 228 Ų | 228 | 123.8 Ų | 123.8 | 86% | 0.86 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -141.4 | 107.5 | 170.9 | -69.3 | -169.9 | 178.8 | -170.8 | -0.7 | 108.9 | H93 R97 | H93-R95 PolarHBondContact O-N 2.96Å; R95-R97 PolarHBondContact O-N 2.9Å |
| 96 | G | 53.5 | Low | 64.2 | Low | 84 Ų | 84 | 120.8 Ų | 120.8 | 87% | 0.866 | 67% | 0.673 | S | S | * | * | trans | 21.1 | 79.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | S98 | G96-S98 PolarHBondContact O-N 3.32Å; G96-S98 VanDerWaalsContact O-N 3.15Å | ||
| 97 | R | 59.8 | Low | 65.2 | Low | 221 Ų | 221 | 118 Ų | 118 | 83% | 0.834 | 67% | 0.674 | S | S | * | * | trans | -80.1 | 97.7 | 167.3 | -168 | 172.5 | -179.1 | -152.1 | -1 | 107.8 | R95 | R95-R97 PolarHBondContact O-N 2.9Š| ||
| 98 | S | 63.5 | Low | 65.7 | Low | 58 Ų | 58 | 113.4 Ų | 113.4 | 41% | 0.406 | 66% | 0.664 | S | S | . | * | trans | -42.5 | 130.3 | 164.4 | -96.9 | 0 | 0 | 0 | 0 | 109.6 | G96 S100 L118 | G96-S98 PolarHBondContact O-N 3.32Å; G96-S98 VanDerWaalsContact O-N 3.15Å; S98-S100 PolarHBondContact O-N 3Å; S98-L118 WeakPolarHBondContact CB-O 3.38Å; S98-L118 PolarHBondContact OG-O 3.27Å | ||
| 99 | P | 76.1 | Confident | 66.2 | Low | 87 Ų | 87 | 120.2 Ų | 120.2 | 57% | 0.565 | 68% | 0.676 | S | S | * | * | trans | -56.2 | 133.7 | 176.2 | 11 | -12.4 | 0 | 0 | 0 | 108.3 | L118 | P99-L118 HydrophobicContact CB-CB 4.29Å; P99-L118 HydrophobicContact CB-CD1 4Å; P99-L118 HydrophobicContact CG-CB 3.87Å; P99-L118 HydrophobicContact CG-CD1 4.37Å; P99-L118 WeakPolarHBondContact O-CA 3.5Å; P99-L118 WeakPolarHBondContact O-CB 3.15Å; P99-L118 WeakPolarHBondContact O-CD1 3.26Å; P99-L118 PolarHBondContact O-N 3.39Å | ||
| 100 | S | 78.7 | Confident | 66.7 | Low | 52 Ų | 52 | 123.2 Ų | 123.2 | 36% | 0.364 | 68% | 0.679 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.1 | 130.5 | 176.1 | 64.2 | 0 | 0 | 0 | 0 | 109.2 | S98 L116 | S98-S100 PolarHBondContact O-N 3Å; S100-L116 CarbonylContact C-O 3.52Å; S100-L116 WeakPolarHBondContact CA-O 3.31Å; S100-L116 WeakPolarHBondContact CB-O 3.39Å |
| 101 | V | 76.3 | Confident | 67.4 | Low | 83 Ų | 83 | 118.5 Ų | 118.5 | 50% | 0.503 | 65% | 0.654 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.1 | 122.2 | 173.1 | 176.4 | 0 | 0 | 0 | 0 | 107.5 | L116 L118 | V101-L116 PolarHBondContact N-O 3.24Å; V101-L116 PolarHBondContact O-N 3.11Å; V101-L118 HydrophobicContact CB-CD1 4.49Å; V101-L118 HydrophobicContact CG2-CD1 3.68Å |
| 102 | S | 81 | Confident | 68.7 | Low | 53 Ų | 53 | 109 Ų | 109 | 37% | 0.371 | 63% | 0.629 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.9 | 133.2 | 172.7 | 65.1 | 0 | 0 | 0 | 0 | 110.4 | R113 V114 | S102-R113 PolarHBondContact OG-NH2 3.33Å; S102-R113 VanDerWaalsContact OG-NH2 3.1Å; S102-V114 VanDerWaalsContact CA-O 3.23Å; S102-V114 WeakPolarHBondContact CA-O 3.45Å |
| 103 | F | 82.8 | Confident | 70.5 | Confident | 94 Ų | 94 | 114.9 Ų | 114.9 | 41% | 0.412 | 63% | 0.631 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -129 | 150.6 | 172.7 | 54.2 | -86.4 | 0 | 0 | 0 | 109.7 | V105 V114 L116 | F103-V105 HydrophobicContact CD2-CG2 3.48Å; F103-V105 VanDerWaalsContact CD2-CG2 3.48Å; F103-V105 HydrophobicContact CE2-CG2 3.38Å; F103-V114 HydrophobicContact CD2-CB 4.48Å; F103-V114 HydrophobicContact CE1-CB 4.43Å; F103-V114 HydrophobicContact CE1-CG1 4.38Å; F103-V114 HydrophobicContact CE2-CB 3.97Å; F103-V114 HydrophobicContact CE2-CG1 4.42Å; F103-V114 HydrophobicContact CE2-CG2 4.4Å; F103-V114 HydrophobicContact CZ-CB 3.94Å; F103-V114 HydrophobicContact CZ-CG1 3.92Å; F103-V114 PolarHBondContact N-O 3.34Å; F103-V114 PolarHBondContact O-N 3.41Å; F103-L116 HydrophobicContact CE1-CD1 3.76Å; F103-L116 HydrophobicContact CE1-CG 4.33Å; F103-L116 HydrophobicContact CZ-CD1 4.38Å |
| 104 | E | 84.5 | Confident | 72 | Confident | 151 Ų | 151 | 109.4 Ų | 109.4 | 71% | 0.706 | 61% | 0.61 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -92.8 | 123.6 | 176.8 | -165 | 172.5 | 170.4 | 0 | 0 | 108.3 | ||
| 105 | V | 80.7 | Confident | 73.5 | Confident | 75 Ų | 75 | 106.8 Ų | 106.8 | 46% | 0.455 | 59% | 0.588 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104 | 115.2 | 177.4 | -177.9 | 0 | 0 | 0 | 0 | 108.1 | F103 G111 G112 V114 | F103-V105 HydrophobicContact CD2-CG2 3.48Å; F103-V105 VanDerWaalsContact CD2-CG2 3.48Å; F103-V105 HydrophobicContact CE2-CG2 3.38Å; V105-G111 CarbonylContact O-C 3.56Å; V105-G111 WeakPolarHBondContact O-CA 3.22Å; V105-G112 PolarHBondContact N-O 2.92Å; V105-G112 PolarHBondContact O-N 2.97Å; V105-V114 HydrophobicContact CG2-CG2 3.98Å |
| 106 | G | 77.5 | Confident | 74.7 | Confident | 52 Ų | 52 | 100.6 Ų | 100.6 | 54% | 0.536 | 57% | 0.572 | S | S | . | * | S | Bend | trans | 103.9 | 158.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 107 | S | 70.1 | Confident | 76 | Confident | 125 Ų | 125 | 104.7 Ų | 104.7 | 87% | 0.874 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -118.3 | 126.5 | 172.8 | 53.4 | 0 | 0 | 0 | 0 | 109.1 | ||
| 108 | G | 68.7 | Low | 76.5 | Confident | 61 Ų | 61 | 101.1 Ų | 101.1 | 63% | 0.629 | 57% | 0.565 | S | S | * | * | S | Bend | trans | 104.5 | -163.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | H110 G111 | G108-H110 PolarHBondContact O-N 3.39Å; G108-G111 PolarHBondContact O-N 3.41Å |
| 109 | R | 71.6 | Confident | 77.2 | Confident | 251 Ų | 251 | 103.3 Ų | 103.3 | 95% | 0.947 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | -9.8 | -172.1 | -66.8 | -177.1 | 179.7 | -119.8 | 1.2 | 115.5 | ||
| 110 | H | 71.3 | Confident | 77.2 | Confident | 181 Ų | 181 | 104.1 Ų | 104.1 | 84% | 0.838 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.2 | 9.8 | -179.6 | -55.2 | 93.4 | 0 | 0 | 0 | 112.6 | G108 G112 | G108-H110 PolarHBondContact O-N 3.39Å; H110-G112 PolarHBondContact O-N 2.96Å |
| 111 | G | 76 | Confident | 77.2 | Confident | 29 Ų | 29 | 107 Ų | 107 | 30% | 0.299 | 59% | 0.585 | S | S | . | * | trans | -62.7 | 121.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | V105 G108 | V105-G111 CarbonylContact O-C 3.56Å; V105-G111 WeakPolarHBondContact O-CA 3.22Å; G108-G111 PolarHBondContact O-N 3.41Å | ||
| 112 | G | 79.1 | Confident | 77.2 | Confident | 35 Ų | 35 | 108.4 Ų | 108.4 | 36% | 0.361 | 59% | 0.59 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.4 | 132.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | V105 H110 | V105-G112 PolarHBondContact N-O 2.92Å; V105-G112 PolarHBondContact O-N 2.97Å; H110-G112 PolarHBondContact O-N 2.96Å |
| 113 | R | 83.1 | Confident | 77 | Confident | 188 Ų | 188 | 111.9 Ų | 111.9 | 71% | 0.709 | 60% | 0.604 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -86.1 | 123.2 | 171.6 | -175.3 | 177.3 | 178.4 | 173.6 | 3.1 | 109.4 | S102 | S102-R113 PolarHBondContact OG-NH2 3.33Å; S102-R113 VanDerWaalsContact OG-NH2 3.1Å |
| 114 | V | 79.1 | Confident | 76.6 | Confident | 60 Ų | 60 | 113.1 Ų | 113.1 | 36% | 0.364 | 62% | 0.616 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.9 | 132.8 | 173.2 | -176.8 | 0 | 0 | 0 | 0 | 108.3 | S102 F103 V105 | S102-V114 VanDerWaalsContact CA-O 3.23Å; S102-V114 WeakPolarHBondContact CA-O 3.45Å; F103-V114 HydrophobicContact CD2-CB 4.48Å; F103-V114 HydrophobicContact CE1-CB 4.43Å; F103-V114 HydrophobicContact CE1-CG1 4.38Å; F103-V114 HydrophobicContact CE2-CB 3.97Å; F103-V114 HydrophobicContact CE2-CG1 4.42Å; F103-V114 HydrophobicContact CE2-CG2 4.4Å; F103-V114 HydrophobicContact CZ-CB 3.94Å; F103-V114 HydrophobicContact CZ-CG1 3.92Å; F103-V114 PolarHBondContact N-O 3.34Å; F103-V114 PolarHBondContact O-N 3.41Å; V105-V114 HydrophobicContact CG2-CG2 3.98Å |
| 115 | T | 79 | Confident | 76 | Confident | 75 Ų | 75 | 110.4 Ų | 110.4 | 46% | 0.46 | 61% | 0.61 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.1 | 122 | 176.4 | -55 | 0 | 0 | 0 | 0 | 108.7 | ||
| 116 | L | 76.1 | Confident | 75.7 | Confident | 98 Ų | 98 | 113.1 Ų | 113.1 | 51% | 0.513 | 62% | 0.622 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.3 | 135.2 | 172.8 | -67.1 | 166.6 | 0 | 0 | 0 | 108.7 | S100 V101 F103 | S100-L116 CarbonylContact C-O 3.52Å; S100-L116 WeakPolarHBondContact CA-O 3.31Å; S100-L116 WeakPolarHBondContact CB-O 3.39Å; V101-L116 PolarHBondContact N-O 3.24Å; V101-L116 PolarHBondContact O-N 3.11Å; F103-L116 HydrophobicContact CE1-CD1 3.76Å; F103-L116 HydrophobicContact CE1-CG 4.33Å; F103-L116 HydrophobicContact CZ-CD1 4.38Å |
| 117 | Q | 80 | Confident | 75.5 | Confident | 169 Ų | 169 | 118.2 Ų | 118.2 | 79% | 0.79 | 63% | 0.629 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96.3 | 130.3 | 170 | -63.3 | -176.2 | 61 | 0 | 0 | 108.1 | ||
| 118 | L | 72.1 | Confident | 76 | Confident | 146 Ų | 146 | 117.5 Ų | 117.5 | 76% | 0.764 | 61% | 0.607 | S | S | * | * | trans | -98.4 | 0 | 179 | -68.3 | 137.3 | 0 | 0 | 0 | 111.7 | S98 P99 V101 | S98-L118 WeakPolarHBondContact CB-O 3.38Å; S98-L118 PolarHBondContact OG-O 3.27Å; P99-L118 HydrophobicContact CB-CB 4.29Å; P99-L118 HydrophobicContact CB-CD1 4Å; P99-L118 HydrophobicContact CG-CB 3.87Å; P99-L118 HydrophobicContact CG-CD1 4.37Å; P99-L118 WeakPolarHBondContact O-CA 3.5Å; P99-L118 WeakPolarHBondContact O-CB 3.15Å; P99-L118 WeakPolarHBondContact O-CD1 3.26Å; P99-L118 PolarHBondContact O-N 3.39Å; V101-L118 HydrophobicContact CB-CD1 4.49Å; V101-L118 HydrophobicContact CG2-CD1 3.68Å |
Retrieved 118 of 118 residues in 18.1 ms
(Link to these results)