| 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 | 49.9 | Very low | 67.9 | Low | 236 Ų | 236 | 117.7 Ų | 117.7 | 100% | 1.163 | 68% | 0.677 | S | S | * | * | 0 | 38.4 | 0 | -63.5 | 163 | 113 | 0 | 0 | 112.6 | |||||
| 2 | M | 54.8 | Low | 69.4 | Low | 162 Ų | 162 | 111.7 Ų | 111.7 | 80% | 0.798 | 66% | 0.66 | S | S | * | * | trans | -110.1 | -19.3 | -174.3 | -71.2 | 162.8 | 69.4 | 0 | 0 | 114.7 | ||||
| 3 | S | 61.8 | Low | 70.8 | Confident | 98 Ų | 98 | 113 Ų | 113 | 69% | 0.685 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -75.8 | -23.1 | -177.4 | -59.6 | 0 | 0 | 0 | 0 | 115.6 | T6 S7 | S3-T6 PolarHBondContact O-OG1 3.29Å; S3-T6 VanDerWaalsContact O-OG1 3.06Å; S3-S7 WeakPolarHBondContact O-CB 3.47Å; S3-S7 PolarHBondContact O-N 3.03Å; S3-S7 VanDerWaalsContact O-N 3.16Å |
| 4 | G | 61.1 | Low | 71.8 | Confident | 58 Ų | 58 | 110.5 Ų | 110.5 | 60% | 0.598 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -71.4 | -35.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A8 | G4-A8 WeakPolarHBondContact O-CB 3.29Å; G4-A8 PolarHBondContact O-N 3.4Å |
| 5 | R | 65.3 | Low | 72.9 | Confident | 208 Ų | 208 | 105.5 Ų | 105.5 | 79% | 0.785 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -74.5 | -38.4 | -178.3 | -63.4 | 176.2 | 115 | 162.1 | 1.8 | 111.9 | M9 | R5-M9 PolarHBondContact O-N 3.32Å; R5-M9 VanDerWaalsContact O-N 3.09Å |
| 6 | T | 69.4 | Low | 74 | Confident | 87 Ų | 87 | 102.8 Ų | 102.8 | 53% | 0.534 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -68.6 | -41.3 | 174.8 | 55 | 0 | 0 | 0 | 0 | 111.3 | S3 A8 M9 V10 | S3-T6 PolarHBondContact O-OG1 3.29Å; S3-T6 VanDerWaalsContact O-OG1 3.06Å; T6-A8 PolarHBondContact O-N 3.08Å; T6-M9 PolarHBondContact O-N 3.13Å; T6-V10 VanDerWaalsContact O-CG2 3.28Å; T6-V10 WeakPolarHBondContact O-CG2 3.23Å; T6-V10 PolarHBondContact O-N 3.06Å |
| 7 | S | 68.6 | Low | 74.9 | Confident | 78 Ų | 78 | 104.1 Ų | 104.1 | 55% | 0.545 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -63.3 | -39.4 | 175.6 | -169.1 | 0 | 0 | 0 | 0 | 112.7 | S3 A11 | S3-S7 WeakPolarHBondContact O-CB 3.47Å; S3-S7 PolarHBondContact O-N 3.03Å; S3-S7 VanDerWaalsContact O-N 3.16Å; S7-A11 VanDerWaalsContact O-CB 3.31Å; S7-A11 WeakPolarHBondContact O-CB 3.28Å; S7-A11 PolarHBondContact O-N 3.44Å |
| 8 | A | 76.6 | Confident | 75.9 | Confident | 66 Ų | 66 | 106.1 Ų | 106.1 | 55% | 0.545 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -67.3 | -40.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | G4 T6 G12 | G4-A8 WeakPolarHBondContact O-CB 3.29Å; G4-A8 PolarHBondContact O-N 3.4Å; T6-A8 PolarHBondContact O-N 3.08Å; A8-G12 PolarHBondContact O-N 3.15Å |
| 9 | M | 80 | Confident | 76.6 | Confident | 148 Ų | 148 | 104.7 Ų | 104.7 | 73% | 0.729 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -63.1 | -46 | 174.3 | -94.3 | -173.6 | 161.4 | 0 | 0 | 112.2 | R5 T6 G12 M13 | R5-M9 PolarHBondContact O-N 3.32Å; R5-M9 VanDerWaalsContact O-N 3.09Å; T6-M9 PolarHBondContact O-N 3.13Å; M9-G12 PolarHBondContact O-N 2.89Å; M9-M13 WeakPolarHBondContact O-CG 3.5Å; M9-M13 PolarHBondContact O-N 3.29Å |
| 10 | V | 79.9 | Confident | 77.3 | Confident | 92 Ų | 92 | 102.4 Ų | 102.4 | 56% | 0.558 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -64.8 | -45.1 | -179.9 | 171.9 | 0 | 0 | 0 | 0 | 111 | T6 G12 M13 C14 | T6-V10 VanDerWaalsContact O-CG2 3.28Å; T6-V10 WeakPolarHBondContact O-CG2 3.23Å; T6-V10 PolarHBondContact O-N 3.06Å; V10-G12 VanDerWaalsContact C-N 3.32Å; V10-G12 PolarHBondContact O-N 3.22Å; V10-M13 PolarHBondContact O-N 3.4Å; V10-C14 PolarHBondContact O-N 3.17Å; V10-C14 PolarHBondContact O-SG 3.44Å; V10-C14 VanDerWaalsContact O-SG 3.37Å |
| 11 | A | 79.9 | Confident | 77.9 | Confident | 62 Ų | 62 | 104.4 Ų | 104.4 | 51% | 0.512 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -61.4 | -39.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S7 G15 | S7-A11 VanDerWaalsContact O-CB 3.31Å; S7-A11 WeakPolarHBondContact O-CB 3.28Å; S7-A11 PolarHBondContact O-N 3.44Å; A11-G15 PolarHBondContact O-N 2.69Å |
| 12 | G | 86 | Confident | 79.7 | Confident | 45 Ų | 45 | 95.8 Ų | 95.8 | 46% | 0.464 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.7 | -43.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | A8 M9 V10 G15 A16 | A8-G12 PolarHBondContact O-N 3.15Å; M9-G12 PolarHBondContact O-N 2.89Å; V10-G12 VanDerWaalsContact C-N 3.32Å; V10-G12 PolarHBondContact O-N 3.22Å; G12-G15 PolarHBondContact O-N 3.01Å; G12-A16 WeakPolarHBondContact O-CB 3.48Å; G12-A16 PolarHBondContact O-N 2.92Å |
| 13 | M | 87.6 | Confident | 81.2 | Confident | 129 Ų | 129 | 93.4 Ų | 93.4 | 64% | 0.635 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.5 | -44.1 | 176.9 | -72.9 | -175.2 | 67.8 | 0 | 0 | 112.2 | M9 V10 G15 A16 L17 | M9-M13 WeakPolarHBondContact O-CG 3.5Å; M9-M13 PolarHBondContact O-N 3.29Å; V10-M13 PolarHBondContact O-N 3.4Å; M13-G15 VanDerWaalsContact C-N 3.35Å; M13-G15 PolarHBondContact O-N 2.64Å; M13-A16 PolarHBondContact O-N 3.5Å; M13-L17 WeakPolarHBondContact O-CG 3.47Å; M13-L17 PolarHBondContact O-N 2.66Å |
| 14 | C | 84.2 | Confident | 82.4 | Confident | 78 Ų | 78 | 95.4 Ų | 95.4 | 53% | 0.527 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.5 | -42 | 176.2 | -68.9 | 0 | 0 | 0 | 0 | 111.7 | V10 F18 | V10-C14 PolarHBondContact O-N 3.17Å; V10-C14 PolarHBondContact O-SG 3.44Å; V10-C14 VanDerWaalsContact O-SG 3.37Å; C14-F18 WeakPolarHBondContact O-CB 3.38Å; C14-F18 PolarHBondContact O-N 3.29Å |
| 15 | G | 88 | Confident | 83.2 | Confident | 35 Ų | 35 | 96.8 Ų | 96.8 | 36% | 0.361 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.5 | -45 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A11 G12 M13 F18 V19 | A11-G15 PolarHBondContact O-N 2.69Å; G12-G15 PolarHBondContact O-N 3.01Å; M13-G15 VanDerWaalsContact C-N 3.35Å; M13-G15 PolarHBondContact O-N 2.64Å; G15-F18 PolarHBondContact O-N 3Å; G15-V19 WeakPolarHBondContact O-CG2 3.45Å; G15-V19 PolarHBondContact O-N 3.06Å |
| 16 | A | 91.1 | Very high | 84 | Confident | 63 Ų | 63 | 90.2 Ų | 90.2 | 52% | 0.521 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | G12 M13 V19 A20 | G12-A16 WeakPolarHBondContact O-CB 3.48Å; G12-A16 PolarHBondContact O-N 2.92Å; M13-A16 PolarHBondContact O-N 3.5Å; A16-V19 PolarHBondContact O-N 3.49Å; A16-A20 VanDerWaalsContact O-CB 3.29Å; A16-A20 WeakPolarHBondContact O-CB 3.23Å; A16-A20 PolarHBondContact O-N 3.45Å |
| 17 | L | 90.1 | Very high | 84.2 | Confident | 125 Ų | 125 | 95.5 Ų | 95.5 | 65% | 0.654 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.9 | -39.8 | 175.9 | -71.3 | 173.8 | 0 | 0 | 0 | 111.9 | M13 A20 Y21 | M13-L17 WeakPolarHBondContact O-CG 3.47Å; M13-L17 PolarHBondContact O-N 2.66Å; L17-A20 PolarHBondContact O-N 3.21Å; L17-Y21 VanDerWaalsContact O-CB 3.29Å; L17-Y21 WeakPolarHBondContact O-CB 3.35Å; L17-Y21 PolarHBondContact O-N 3.17Å |
| 18 | F | 91.4 | Very high | 84.3 | Confident | 139 Ų | 139 | 97.8 Ų | 97.8 | 61% | 0.61 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.6 | -46.1 | 176.6 | -174.5 | -103.4 | 0 | 0 | 0 | 111.8 | C14 G15 Y21 C22 | C14-F18 WeakPolarHBondContact O-CB 3.38Å; C14-F18 PolarHBondContact O-N 3.29Å; G15-F18 PolarHBondContact O-N 3Å; F18-Y21 PolarHBondContact O-N 3.24Å; F18-C22 WeakPolarHBondContact O-CB 3.42Å; F18-C22 PolarHBondContact O-N 2.93Å; F18-C22 PolarHBondContact O-SG 2.7Å |
| 19 | V | 90.6 | Very high | 83.8 | Confident | 81 Ų | 81 | 103.5 Ų | 103.5 | 49% | 0.491 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 177 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | G15 A16 Y21 C22 I23 | G15-V19 WeakPolarHBondContact O-CG2 3.45Å; G15-V19 PolarHBondContact O-N 3.06Å; A16-V19 PolarHBondContact O-N 3.49Å; V19-Y21 VanDerWaalsContact C-N 3.33Å; V19-Y21 PolarHBondContact O-N 3.45Å; V19-C22 PolarHBondContact O-N 3.24Å; V19-I23 HydrophobicContact CG1-CD1 3.88Å; V19-I23 HydrophobicContact CG1-CG1 4.46Å; V19-I23 VanDerWaalsContact O-CG1 3.32Å; V19-I23 WeakPolarHBondContact O-CG1 3.39Å; V19-I23 PolarHBondContact O-N 3.18Å |
| 20 | A | 90.6 | Very high | 83 | Confident | 57 Ų | 57 | 105.8 Ų | 105.8 | 47% | 0.471 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.3 | -41.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A16 L17 I23 Y24 | A16-A20 VanDerWaalsContact O-CB 3.29Å; A16-A20 WeakPolarHBondContact O-CB 3.23Å; A16-A20 PolarHBondContact O-N 3.45Å; L17-A20 PolarHBondContact O-N 3.21Å; A20-I23 PolarHBondContact O-N 3.26Å; A20-Y24 WeakPolarHBondContact O-CB 3.46Å; A20-Y24 PolarHBondContact O-N 3.15Å |
| 21 | Y | 89.5 | Confident | 81.9 | Confident | 145 Ų | 145 | 105.2 Ų | 105.2 | 57% | 0.569 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.5 | -42.5 | 175.6 | -175 | -101.9 | 0 | 0 | 0 | 112.1 | L17 F18 V19 I23 Y24 F25 | L17-Y21 VanDerWaalsContact O-CB 3.29Å; L17-Y21 WeakPolarHBondContact O-CB 3.35Å; L17-Y21 PolarHBondContact O-N 3.17Å; F18-Y21 PolarHBondContact O-N 3.24Å; V19-Y21 VanDerWaalsContact C-N 3.33Å; V19-Y21 PolarHBondContact O-N 3.45Å; Y21-I23 PolarHBondContact O-N 3.26Å; Y21-Y24 PolarHBondContact O-N 3.38Å; Y21-F25 WeakPolarHBondContact O-CB 3.15Å; Y21-F25 PolarHBondContact O-N 3.08Å |
| 22 | C | 87.3 | Confident | 81 | Confident | 56 Ų | 56 | 106.7 Ų | 106.7 | 38% | 0.378 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.1 | -43.2 | 175 | -72.2 | 0 | 0 | 0 | 0 | 112 | F18 V19 F25 D26 | F18-C22 WeakPolarHBondContact O-CB 3.42Å; F18-C22 PolarHBondContact O-N 2.93Å; F18-C22 PolarHBondContact O-SG 2.7Å; V19-C22 PolarHBondContact O-N 3.24Å; C22-F25 PolarHBondContact O-N 3.43Å; C22-D26 WeakPolarHBondContact O-CB 3.24Å; C22-D26 PolarHBondContact O-N 2.96Å |
| 23 | I | 86.3 | Confident | 79.8 | Confident | 112 Ų | 112 | 108.7 Ų | 108.7 | 57% | 0.574 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.7 | -43.1 | 176.3 | -67.7 | 168.4 | 0 | 0 | 0 | 111.1 | V19 A20 Y21 F25 R27 | V19-I23 HydrophobicContact CG1-CD1 3.88Å; V19-I23 HydrophobicContact CG1-CG1 4.46Å; V19-I23 VanDerWaalsContact O-CG1 3.32Å; V19-I23 WeakPolarHBondContact O-CG1 3.39Å; V19-I23 PolarHBondContact O-N 3.18Å; A20-I23 PolarHBondContact O-N 3.26Å; Y21-I23 PolarHBondContact O-N 3.26Å; I23-F25 VanDerWaalsContact C-N 3.33Å; I23-F25 PolarHBondContact O-N 3.1Å; I23-R27 VanDerWaalsContact O-CB 3.29Å; I23-R27 WeakPolarHBondContact O-CB 3.34Å; I23-R27 PolarHBondContact O-N 3.36Å |
| 24 | Y | 86.3 | Confident | 78.7 | Confident | 139 Ų | 139 | 107.2 Ų | 107.2 | 55% | 0.545 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.9 | -44.6 | 175.9 | 172.1 | -96.7 | 0 | 0 | 0 | 111.5 | A20 Y21 R27 K28 | A20-Y24 WeakPolarHBondContact O-CB 3.46Å; A20-Y24 PolarHBondContact O-N 3.15Å; Y21-Y24 PolarHBondContact O-N 3.38Å; Y24-R27 PolarHBondContact O-N 2.96Å; Y24-K28 HydrophobicContact CE1-CD 4.09Å; Y24-K28 WeakPolarHBondContact O-CB 3.46Å; Y24-K28 PolarHBondContact O-N 3.28Å |
| 25 | F | 78.8 | Confident | 77.8 | Confident | 88 Ų | 88 | 110.5 Ų | 110.5 | 39% | 0.386 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -72.7 | -39.6 | -177.7 | -161.9 | -96.6 | 0 | 0 | 0 | 112.9 | Y21 C22 I23 R27 K28 R29 | Y21-F25 WeakPolarHBondContact O-CB 3.15Å; Y21-F25 PolarHBondContact O-N 3.08Å; C22-F25 PolarHBondContact O-N 3.43Å; I23-F25 VanDerWaalsContact C-N 3.33Å; I23-F25 PolarHBondContact O-N 3.1Å; F25-R27 VanDerWaalsContact C-N 3.31Å; F25-R27 PolarHBondContact O-N 3.48Å; F25-K28 PolarHBondContact O-N 3.43Å; F25-R29 HydrophobicContact CE1-CG 4.19Å; F25-R29 PolarHBondContact O-N 3.1Å |
| 26 | D | 81.1 | Confident | 76.8 | Confident | 69 Ų | 69 | 116.7 Ų | 116.7 | 37% | 0.369 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.9 | -38.6 | 174.1 | -170.9 | 52.1 | 0 | 0 | 0 | 111.2 | C22 R29 R30 | C22-D26 WeakPolarHBondContact O-CB 3.24Å; C22-D26 PolarHBondContact O-N 2.96Å; D26-R29 PolarHBondContact O-N 3.47Å; D26-R30 WeakPolarHBondContact O-CB 3.15Å; D26-R30 WeakPolarHBondContact O-CG 3.49Å; D26-R30 PolarHBondContact O-N 3.04Å; D26-R30 IonicContact OD1-CZ 3.95Å; D26-R30 IonicContact OD1-NE 3.08Å; D26-R30 PolarHBondContact OD1-NE 2.97Å; D26-R30 IonicContact OD1-NH2 3.24Å; D26-R30 IonicContact OD2-CZ 3.74Å; D26-R30 IonicContact OD2-NE 2.71Å; D26-R30 PolarHBondContact OD2-NE 3.36Å; D26-R30 IonicContact OD2-NH1 3.25Å; D26-R30 PolarHBondContact OD2-NH1 3.39Å; D26-R30 IonicContact OD2-NH2 3Å |
| 27 | R | 75.5 | Confident | 75.8 | Confident | 199 Ų | 199 | 119.7 Ų | 119.7 | 75% | 0.751 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.5 | -41.8 | 173 | -172.5 | 175.2 | 171.7 | 165.4 | -2.3 | 112 | I23 Y24 F25 R30 S31 | I23-R27 VanDerWaalsContact O-CB 3.29Å; I23-R27 WeakPolarHBondContact O-CB 3.34Å; I23-R27 PolarHBondContact O-N 3.36Å; Y24-R27 PolarHBondContact O-N 2.96Å; F25-R27 VanDerWaalsContact C-N 3.31Å; F25-R27 PolarHBondContact O-N 3.48Å; R27-R30 PolarHBondContact O-N 3.48Å; R27-S31 WeakPolarHBondContact O-CB 3.5Å; R27-S31 PolarHBondContact O-N 2.89Å; R27-S31 VanDerWaalsContact O-N 3.14Å; R27-S31 PolarHBondContact O-OG 3.46Å; R27-S31 VanDerWaalsContact O-OG 3.11Å |
| 28 | K | 69.4 | Low | 74.9 | Confident | 126 Ų | 126 | 119.8 Ų | 119.8 | 55% | 0.548 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.7 | -32.7 | 177.8 | -171.4 | 171.2 | -176.7 | 172.8 | 0 | 112.8 | Y24 F25 S31 | Y24-K28 HydrophobicContact CE1-CD 4.09Å; Y24-K28 WeakPolarHBondContact O-CB 3.46Å; Y24-K28 PolarHBondContact O-N 3.28Å; F25-K28 PolarHBondContact O-N 3.43Å; K28-S31 PolarHBondContact O-OG 3.24Å; K28-S31 VanDerWaalsContact O-OG 3.1Å |
| 29 | R | 65.9 | Low | 74 | Confident | 185 Ų | 185 | 116.2 Ų | 116.2 | 70% | 0.698 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -74.8 | -34.7 | 172.5 | -97.7 | -176.6 | 166.3 | 179.5 | -2.7 | 113.5 | F25 D26 | F25-R29 HydrophobicContact CE1-CG 4.19Å; F25-R29 PolarHBondContact O-N 3.1Å; D26-R29 PolarHBondContact O-N 3.47Å |
| 30 | R | 63.4 | Low | 73.4 | Confident | 196 Ų | 196 | 121.1 Ų | 121.1 | 74% | 0.74 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -83.9 | -11.3 | -178.7 | -71.7 | 174.1 | 177.4 | -175.8 | -8.6 | 113.9 | D26 R27 D32 | D26-R30 WeakPolarHBondContact O-CB 3.15Å; D26-R30 WeakPolarHBondContact O-CG 3.49Å; D26-R30 PolarHBondContact O-N 3.04Å; D26-R30 IonicContact OD1-CZ 3.95Å; D26-R30 IonicContact OD1-NE 3.08Å; D26-R30 PolarHBondContact OD1-NE 2.97Å; D26-R30 IonicContact OD1-NH2 3.24Å; D26-R30 IonicContact OD2-CZ 3.74Å; D26-R30 IonicContact OD2-NE 2.71Å; D26-R30 PolarHBondContact OD2-NE 3.36Å; D26-R30 IonicContact OD2-NH1 3.25Å; D26-R30 PolarHBondContact OD2-NH1 3.39Å; D26-R30 IonicContact OD2-NH2 3Å; R27-R30 PolarHBondContact O-N 3.48Å; R30-D32 VanDerWaalsContact C-N 3.28Å; R30-D32 PolarHBondContact O-N 3.04Å |
| 31 | S | 58 | Low | 72.8 | Confident | 80 Ų | 80 | 123.1 Ų | 123.1 | 56% | 0.559 | 56% | 0.557 | S | S | * | * | trans | -89.2 | 38.2 | 176.1 | 59.6 | 0 | 0 | 0 | 0 | 113.4 | R27 K28 P33 | R27-S31 WeakPolarHBondContact O-CB 3.5Å; R27-S31 PolarHBondContact O-N 2.89Å; R27-S31 VanDerWaalsContact O-N 3.14Å; R27-S31 PolarHBondContact O-OG 3.46Å; R27-S31 VanDerWaalsContact O-OG 3.11Å; K28-S31 PolarHBondContact O-OG 3.24Å; K28-S31 VanDerWaalsContact O-OG 3.1Å; S31-P33 VanDerWaalsContact O-CD 3.25Å; S31-P33 WeakPolarHBondContact O-CD 3.34Å | ||
| 32 | D | 60.7 | Low | 72 | Confident | 94 Ų | 94 | 125.3 Ų | 125.3 | 50% | 0.503 | 56% | 0.564 | S | S | . | * | trans | -96.9 | 101.8 | 177.8 | -139.9 | -32.8 | 0 | 0 | 0 | 109.9 | R30 L34 F35 | R30-D32 VanDerWaalsContact C-N 3.28Å; R30-D32 PolarHBondContact O-N 3.04Å; D32-L34 PolarHBondContact O-N 3.32Å; D32-F35 PolarHBondContact O-N 3.39Å | ||
| 33 | P | 60.8 | Low | 71.4 | Confident | 87 Ų | 87 | 130.6 Ų | 130.6 | 57% | 0.565 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64.4 | -21.5 | -176.2 | 25.6 | -33.3 | 0 | 0 | 0 | 112.7 | S31 F35 K36 E37 | S31-P33 VanDerWaalsContact O-CD 3.25Å; S31-P33 WeakPolarHBondContact O-CD 3.34Å; P33-F35 VanDerWaalsContact C-N 3.31Å; P33-F35 PolarHBondContact O-N 2.99Å; P33-K36 PolarHBondContact O-N 2.85Å; P33-E37 PolarHBondContact O-N 2.9Å |
| 34 | L | 64.5 | Low | 70.8 | Confident | 98 Ų | 98 | 134.4 Ų | 134.4 | 51% | 0.513 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.2 | -30.5 | -177.7 | -80.1 | 157.1 | 0 | 0 | 0 | 113.4 | D32 K38 | D32-L34 PolarHBondContact O-N 3.32Å; L34-K38 VanDerWaalsContact O-CB 3.3Å; L34-K38 WeakPolarHBondContact O-CB 3.37Å; L34-K38 VanDerWaalsContact O-CG 3.23Å; L34-K38 WeakPolarHBondContact O-CG 3.32Å; L34-K38 PolarHBondContact O-N 3.1Å |
| 35 | F | 64.5 | Low | 70.2 | Confident | 146 Ų | 146 | 133.6 Ų | 133.6 | 64% | 0.64 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -72.7 | -42.4 | 177.5 | -175.2 | -109.1 | 0 | 0 | 0 | 111.7 | D32 P33 K38 L39 | D32-F35 PolarHBondContact O-N 3.39Å; P33-F35 VanDerWaalsContact C-N 3.31Å; P33-F35 PolarHBondContact O-N 2.99Å; F35-K38 PolarHBondContact O-N 2.97Å; F35-L39 HydrophobicContact CD1-CD1 3.67Å; F35-L39 HydrophobicContact CE1-CD1 3.21Å; F35-L39 HydrophobicContact CE2-CD1 4.15Å; F35-L39 HydrophobicContact CG-CD1 4.32Å; F35-L39 HydrophobicContact CZ-CD1 3.49Å; F35-L39 VanDerWaalsContact CZ-CD1 3.49Å; F35-L39 WeakPolarHBondContact O-CB 3.24Å; F35-L39 PolarHBondContact O-N 3.28Å |
| 36 | K | 67.1 | Low | 69.5 | Low | 166 Ų | 166 | 136 Ų | 136 | 72% | 0.722 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67.7 | -38.1 | 176.6 | -74.1 | -173.5 | 173.6 | -178.6 | 0 | 111.5 | P33 L39 R40 | P33-K36 PolarHBondContact O-N 2.85Å; K36-L39 PolarHBondContact O-N 3.49Å; K36-R40 WeakPolarHBondContact O-CB 3.41Å; K36-R40 PolarHBondContact O-N 3.41Å |
| 37 | E | 69.6 | Low | 68.6 | Low | 126 Ų | 126 | 140.3 Ų | 140.3 | 59% | 0.589 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -64.2 | -48.1 | 172.1 | -82 | -160.1 | 128.5 | 0 | 0 | 112 | P33 L39 R40 E41 | P33-E37 PolarHBondContact O-N 2.9Å; E37-L39 PolarHBondContact O-N 3.4Å; E37-R40 CarbonylContact O-C 3.59Å; E37-R40 WeakPolarHBondContact O-CA 3.38Å; E37-R40 WeakPolarHBondContact O-CB 3.15Å; E37-R40 PolarHBondContact O-N 3.42Å; E37-E41 WeakPolarHBondContact O-CB 3.41Å; E37-E41 PolarHBondContact O-N 3.47Å |
| 38 | K | 71.4 | Confident | 67.9 | Low | 127 Ų | 127 | 133.1 Ų | 133.1 | 55% | 0.552 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -58.6 | -35.8 | 175.9 | -78 | 177.2 | -178.8 | -179.1 | 0 | 112.3 | L34 F35 R42 | L34-K38 VanDerWaalsContact O-CB 3.3Å; L34-K38 WeakPolarHBondContact O-CB 3.37Å; L34-K38 VanDerWaalsContact O-CG 3.23Å; L34-K38 WeakPolarHBondContact O-CG 3.32Å; L34-K38 PolarHBondContact O-N 3.1Å; F35-K38 PolarHBondContact O-N 2.97Å; K38-R42 WeakPolarHBondContact O-CB 3.27Å; K38-R42 VanDerWaalsContact O-CG 3.23Å; K38-R42 WeakPolarHBondContact O-CG 3.37Å; K38-R42 PolarHBondContact O-N 2.91Å |
| 39 | L | 72.4 | Confident | 67.3 | Low | 63 Ų | 63 | 129.9 Ų | 129.9 | 33% | 0.33 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -68 | -42.3 | 172.9 | -103.1 | 140.7 | 0 | 0 | 0 | 112.6 | F35 K36 E37 E41 R42 R43 | F35-L39 HydrophobicContact CD1-CD1 3.67Å; F35-L39 HydrophobicContact CE1-CD1 3.21Å; F35-L39 HydrophobicContact CE2-CD1 4.15Å; F35-L39 HydrophobicContact CG-CD1 4.32Å; F35-L39 HydrophobicContact CZ-CD1 3.49Å; F35-L39 VanDerWaalsContact CZ-CD1 3.49Å; F35-L39 WeakPolarHBondContact O-CB 3.24Å; F35-L39 PolarHBondContact O-N 3.28Å; K36-L39 PolarHBondContact O-N 3.49Å; E37-L39 PolarHBondContact O-N 3.4Å; L39-E41 VanDerWaalsContact C-N 3.34Å; L39-R42 PolarHBondContact O-N 2.82Å; L39-R43 WeakPolarHBondContact O-CG 3.29Å; L39-R43 PolarHBondContact O-N 3.49Å |
| 40 | R | 77.5 | Confident | 66.7 | Low | 185 Ų | 185 | 123.3 Ų | 123.3 | 70% | 0.698 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.8 | -41.2 | 175.9 | -122.8 | 175.8 | -157.6 | 157.8 | 4.9 | 111.4 | K36 E37 R43 R44 | K36-R40 WeakPolarHBondContact O-CB 3.41Å; K36-R40 PolarHBondContact O-N 3.41Å; E37-R40 CarbonylContact O-C 3.59Å; E37-R40 WeakPolarHBondContact O-CA 3.38Å; E37-R40 WeakPolarHBondContact O-CB 3.15Å; E37-R40 PolarHBondContact O-N 3.42Å; R40-R43 PolarHBondContact O-N 2.91Å; R40-R44 WeakPolarHBondContact O-CB 3.3Å; R40-R44 WeakPolarHBondContact O-CG 3.17Å; R40-R44 PolarHBondContact O-N 2.87Å |
| 41 | E | 78.8 | Confident | 66.4 | Low | 99 Ų | 99 | 121.1 Ų | 121.1 | 46% | 0.463 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.1 | -42.9 | 178.1 | -159.8 | -166.4 | 154.2 | 0 | 0 | 110.8 | E37 L39 R43 R44 K45 | E37-E41 WeakPolarHBondContact O-CB 3.41Å; E37-E41 PolarHBondContact O-N 3.47Å; L39-E41 VanDerWaalsContact C-N 3.34Å; E41-R43 PolarHBondContact O-N 3.15Å; E41-R44 PolarHBondContact O-N 3.49Å; E41-K45 HydrophobicContact CG-CD 4.48Å; E41-K45 WeakPolarHBondContact O-CB 3.35Å; E41-K45 WeakPolarHBondContact O-CG 3.4Å; E41-K45 PolarHBondContact O-N 3.32Å; E41-K45 WeakPolarHBondContact OE1-CE 3.49Å; E41-K45 IonicContact OE1-NZ 2.7Å; E41-K45 PolarHBondContact OE1-NZ 3.15Å |
| 42 | R | 73.8 | Confident | 66.2 | Low | 190 Ų | 190 | 125.7 Ų | 125.7 | 72% | 0.717 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -58.8 | -45.8 | 171.4 | -78 | 179.1 | -175.3 | -128.5 | 2.5 | 111.8 | K38 L39 K45 Q46 | K38-R42 WeakPolarHBondContact O-CB 3.27Å; K38-R42 VanDerWaalsContact O-CG 3.23Å; K38-R42 WeakPolarHBondContact O-CG 3.37Å; K38-R42 PolarHBondContact O-N 2.91Å; L39-R42 PolarHBondContact O-N 2.82Å; R42-K45 PolarHBondContact O-N 3.38Å; R42-Q46 VanDerWaalsContact O-CB 3.3Å; R42-Q46 WeakPolarHBondContact O-CB 3.46Å; R42-Q46 PolarHBondContact O-N 2.95Å |
| 43 | R | 72.9 | Confident | 65.7 | Low | 168 Ų | 168 | 124 Ų | 124 | 63% | 0.634 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65 | -37.8 | 176 | -71.7 | -175.4 | -152 | -170.4 | 3.6 | 112.9 | L39 R40 E41 Q46 K47 | L39-R43 WeakPolarHBondContact O-CG 3.29Å; L39-R43 PolarHBondContact O-N 3.49Å; R40-R43 PolarHBondContact O-N 2.91Å; E41-R43 PolarHBondContact O-N 3.15Å; R43-Q46 PolarHBondContact O-N 3.25Å; R43-K47 WeakPolarHBondContact O-CB 3.23Å; R43-K47 PolarHBondContact O-N 3.5Å |
| 44 | R | 74.8 | Confident | 65.3 | Low | 191 Ų | 191 | 121.3 Ų | 121.3 | 72% | 0.721 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.9 | -44.6 | 174.8 | -79.1 | -175.9 | 178.4 | -154.8 | 0.2 | 111.4 | R40 E41 Q46 K47 S48 | R40-R44 WeakPolarHBondContact O-CB 3.3Å; R40-R44 WeakPolarHBondContact O-CG 3.17Å; R40-R44 PolarHBondContact O-N 2.87Å; E41-R44 PolarHBondContact O-N 3.49Å; R44-Q46 VanDerWaalsContact C-N 3.35Å; R44-Q46 PolarHBondContact O-N 3.35Å; R44-K47 PolarHBondContact O-N 2.8Å; R44-S48 WeakPolarHBondContact O-CB 3.46Å; R44-S48 PolarHBondContact O-N 3.24Å; R44-S48 PolarHBondContact O-OG 3.05Å |
| 45 | K | 73.4 | Confident | 64.6 | Low | 123 Ų | 123 | 120.7 Ų | 120.7 | 54% | 0.535 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.6 | -44.8 | 174.8 | -76.6 | 174.5 | 170.6 | 167.3 | 0 | 111 | E41 R42 S48 S49 | E41-K45 HydrophobicContact CG-CD 4.48Å; E41-K45 WeakPolarHBondContact O-CB 3.35Å; E41-K45 WeakPolarHBondContact O-CG 3.4Å; E41-K45 PolarHBondContact O-N 3.32Å; E41-K45 WeakPolarHBondContact OE1-CE 3.49Å; E41-K45 IonicContact OE1-NZ 2.7Å; E41-K45 PolarHBondContact OE1-NZ 3.15Å; R42-K45 PolarHBondContact O-N 3.38Å; K45-S48 WeakPolarHBondContact CA-OG 3.23Å; K45-S48 PolarHBondContact O-N 3.31Å; K45-S48 PolarHBondContact O-OG 2.96Å; K45-S49 WeakPolarHBondContact O-CB 3.33Å; K45-S49 PolarHBondContact O-N 3.09Å; K45-S49 PolarHBondContact O-OG 3.27Å |
| 46 | Q | 63.4 | Low | 63.8 | Low | 137 Ų | 137 | 117.2 Ų | 117.2 | 64% | 0.64 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -68.4 | -38.1 | 179.1 | -155.3 | 178.2 | 7.1 | 0 | 0 | 113 | R42 R43 R44 S49 S50 | R42-Q46 VanDerWaalsContact O-CB 3.3Å; R42-Q46 WeakPolarHBondContact O-CB 3.46Å; R42-Q46 PolarHBondContact O-N 2.95Å; R43-Q46 PolarHBondContact O-N 3.25Å; R44-Q46 VanDerWaalsContact C-N 3.35Å; R44-Q46 PolarHBondContact O-N 3.35Å; Q46-S49 WeakPolarHBondContact CA-OG 3.45Å; Q46-S49 PolarHBondContact O-OG 2.97Å; Q46-S50 VanDerWaalsContact O-CB 3.28Å; Q46-S50 WeakPolarHBondContact O-CB 3.4Å; Q46-S50 PolarHBondContact O-N 3.48Å |
| 47 | K | 62.9 | Low | 63.2 | Low | 160 Ų | 160 | 116.6 Ų | 116.6 | 70% | 0.696 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.5 | -47.4 | 169.7 | -91.5 | -166.8 | 170.3 | -163.6 | 0 | 111.6 | R43 R44 S49 S50 E51 | R43-K47 WeakPolarHBondContact O-CB 3.23Å; R43-K47 PolarHBondContact O-N 3.5Å; R44-K47 PolarHBondContact O-N 2.8Å; K47-S49 VanDerWaalsContact C-N 3.3Å; K47-S49 PolarHBondContact O-N 3.41Å; K47-S50 PolarHBondContact O-N 2.93Å; K47-S50 VanDerWaalsContact O-N 3.16Å; K47-E51 PolarHBondContact O-N 3.42Å |
| 48 | S | 60.8 | Low | 62.5 | Low | 48 Ų | 48 | 114.9 Ų | 114.9 | 34% | 0.336 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.4 | -33 | 179.4 | 71.9 | 0 | 0 | 0 | 0 | 112.7 | R44 K45 K52 | R44-S48 WeakPolarHBondContact O-CB 3.46Å; R44-S48 PolarHBondContact O-N 3.24Å; R44-S48 PolarHBondContact O-OG 3.05Å; K45-S48 WeakPolarHBondContact CA-OG 3.23Å; K45-S48 PolarHBondContact O-N 3.31Å; K45-S48 PolarHBondContact O-OG 2.96Å; S48-K52 VanDerWaalsContact O-CB 3.26Å; S48-K52 WeakPolarHBondContact O-CB 3.26Å; S48-K52 WeakPolarHBondContact O-CG 3.3Å; S48-K52 PolarHBondContact O-N 2.75Å |
| 49 | S | 57.1 | Low | 61.8 | Low | 58 Ų | 58 | 110.3 Ų | 110.3 | 41% | 0.406 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -72.9 | -37.4 | 173.7 | 59.9 | 0 | 0 | 0 | 0 | 111.3 | K45 Q46 K47 K52 T53 | K45-S49 WeakPolarHBondContact O-CB 3.33Å; K45-S49 PolarHBondContact O-N 3.09Å; K45-S49 PolarHBondContact O-OG 3.27Å; Q46-S49 WeakPolarHBondContact CA-OG 3.45Å; Q46-S49 PolarHBondContact O-OG 2.97Å; K47-S49 VanDerWaalsContact C-N 3.3Å; K47-S49 PolarHBondContact O-N 3.41Å; S49-K52 PolarHBondContact O-N 3.02Å; S49-T53 WeakPolarHBondContact O-CG2 3.36Å; S49-T53 PolarHBondContact O-N 3.2Å; S49-T53 PolarHBondContact O-OG1 3.32Å |
| 50 | S | 53.8 | Low | 61.1 | Low | 47 Ų | 47 | 112.2 Ų | 112.2 | 33% | 0.329 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69.9 | -32.2 | 176.6 | -163.7 | 0 | 0 | 0 | 0 | 113 | Q46 K47 T53 | Q46-S50 VanDerWaalsContact O-CB 3.28Å; Q46-S50 WeakPolarHBondContact O-CB 3.4Å; Q46-S50 PolarHBondContact O-N 3.48Å; K47-S50 PolarHBondContact O-N 2.93Å; K47-S50 VanDerWaalsContact O-N 3.16Å; S50-T53 WeakPolarHBondContact CA-OG1 3.34Å; S50-T53 PolarHBondContact O-OG1 2.83Å |
| 51 | E | 55.3 | Low | 60.3 | Low | 150 Ų | 150 | 109 Ų | 109 | 70% | 0.701 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -71.2 | -40.4 | 169.5 | -77.3 | -177.7 | 148.4 | 0 | 0 | 111.1 | K47 T53 G54 | K47-E51 PolarHBondContact O-N 3.42Å; E51-T53 VanDerWaalsContact C-N 3.25Å; E51-T53 PolarHBondContact O-N 3.24Å; E51-G54 PolarHBondContact O-N 3.27Å |
| 52 | K | 54.6 | Low | 59.5 | Low | 176 Ų | 176 | 113 Ų | 113 | 77% | 0.765 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -67.7 | -20.8 | 175.3 | -78.2 | 177.7 | 179.4 | -165.8 | 0 | 114.1 | S48 S49 | S48-K52 VanDerWaalsContact O-CB 3.26Å; S48-K52 WeakPolarHBondContact O-CB 3.26Å; S48-K52 WeakPolarHBondContact O-CG 3.3Å; S48-K52 PolarHBondContact O-N 2.75Å; S49-K52 PolarHBondContact O-N 3.02Å |
| 53 | T | 50.5 | Low | 59.5 | Low | 58 Ų | 58 | 108.6 Ų | 108.6 | 36% | 0.356 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 3.4 | 175.9 | 55 | 0 | 0 | 0 | 0 | 113.5 | S49 S50 E51 M55 | S49-T53 WeakPolarHBondContact O-CG2 3.36Å; S49-T53 PolarHBondContact O-N 3.2Å; S49-T53 PolarHBondContact O-OG1 3.32Å; S50-T53 WeakPolarHBondContact CA-OG1 3.34Å; S50-T53 PolarHBondContact O-OG1 2.83Å; E51-T53 VanDerWaalsContact C-N 3.25Å; E51-T53 PolarHBondContact O-N 3.24Å; T53-M55 WeakPolarHBondContact O-CG 3.49Å; T53-M55 PolarHBondContact O-N 3.49Å |
| 54 | G | 51.7 | Low | 59.4 | Low | 32 Ų | 32 | 104.5 Ų | 104.5 | 33% | 0.33 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 1.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | E51 A56 | E51-G54 PolarHBondContact O-N 3.27Å; G54-A56 PolarHBondContact O-N 2.85Å |
| 55 | M | 50.5 | Low | 59.5 | Low | 84 Ų | 84 | 101.4 Ų | 101.4 | 41% | 0.414 | 53% | 0.533 | S | S | . | . | G | 310 helix | trans | -85.5 | -7.6 | -167.2 | -78.4 | 173.2 | -175.5 | 0 | 0 | 114.6 | T53 K57 | T53-M55 WeakPolarHBondContact O-CG 3.49Å; T53-M55 PolarHBondContact O-N 3.49Å; M55-K57 PolarHBondContact O-N 3.36Å; M55-K57 VanDerWaalsContact O-N 3.09Å |
| 56 | A | 48.3 | Very low | 59.8 | Low | 74 Ų | 74 | 97 Ų | 97 | 61% | 0.612 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -73.8 | 0.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | G54 | G54-A56 PolarHBondContact O-N 2.85Š|
| 57 | K | 54.2 | Low | 60.4 | Low | 153 Ų | 153 | 91.8 Ų | 91.8 | 67% | 0.665 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -134.4 | 21.5 | -170.3 | -125.6 | -173.5 | -176.2 | -166.5 | 0 | 114.1 | M55 P59 F70 | M55-K57 PolarHBondContact O-N 3.36Å; M55-K57 VanDerWaalsContact O-N 3.09Å; K57-P59 VanDerWaalsContact O-CD 3.28Å; K57-P59 WeakPolarHBondContact O-CD 3.47Å; K57-P59 VanDerWaalsContact O-N 3.14Å; K57-F70 WeakPolarHBondContact O-CE2 3.37Å |
| 58 | L | 54.3 | Low | 61.1 | Low | 90 Ų | 90 | 90 Ų | 90 | 47% | 0.471 | 49% | 0.492 | S | S | . | . | trans | -61.5 | 119.1 | 171.9 | -65 | 176.7 | 0 | 0 | 0 | 108.2 | F70 V100 | L58-F70 HydrophobicContact CD2-CE1 4.04Å; L58-F70 HydrophobicContact CD2-CZ 4.16Å; L58-V100 HydrophobicContact CD2-CG2 4.27Å | ||
| 59 | P | 55.9 | Low | 62.2 | Low | 30 Ų | 30 | 93.6 Ų | 93.6 | 20% | 0.195 | 50% | 0.501 | C | S | . | . | trans | -61.2 | 161.1 | 173.6 | 27.9 | -35.3 | 0 | 0 | 0 | 109.6 | K57 L61 A66 V67 F70 | K57-P59 VanDerWaalsContact O-CD 3.28Å; K57-P59 WeakPolarHBondContact O-CD 3.47Å; K57-P59 VanDerWaalsContact O-N 3.14Å; P59-L61 PolarHBondContact O-N 2.85Å; P59-A66 HydrophobicContact CB-CB 3.93Å; P59-V67 HydrophobicContact CG-CG2 4.5Å; P59-F70 HydrophobicContact CG-CB 3.71Å; P59-F70 HydrophobicContact CG-CD2 4.44Å; P59-F70 HydrophobicContact CG-CG 3.99Å | ||
| 60 | D | 57.7 | Low | 63.5 | Low | 104 Ų | 104 | 91.5 Ų | 91.5 | 56% | 0.556 | 48% | 0.484 | S | S | * | . | trans | -55 | 112.8 | 172.7 | -165.1 | -10.3 | 0 | 0 | 0 | 108.6 | K62 D63 | D60-K62 PolarHBondContact O-N 3.41Å; D60-D63 PolarHBondContact O-N 3.26Å; D60-D63 VanDerWaalsContact O-N 3.1Å | ||
| 61 | L | 62.1 | Low | 64.9 | Low | 117 Ų | 117 | 90.9 Ų | 90.9 | 61% | 0.613 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -6.4 | -174 | -67.9 | 167 | 0 | 0 | 0 | 112.5 | P59 V67 V100 | P59-L61 PolarHBondContact O-N 2.85Å; L61-V67 HydrophobicContact CD2-CG2 4.23Å; L61-V100 HydrophobicContact CD2-CG1 3.71Å |
| 62 | K | 61.9 | Low | 66.4 | Low | 182 Ų | 182 | 87.8 Ų | 87.8 | 79% | 0.791 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -26.1 | 175.6 | -66 | -178.1 | 176.6 | -175.8 | 0 | 113.3 | D60 | D60-K62 PolarHBondContact O-N 3.41Š|
| 63 | D | 73.3 | Confident | 67.9 | Low | 99 Ų | 99 | 84 Ų | 84 | 53% | 0.529 | 45% | 0.449 | S | S | . | . | trans | -96.2 | 99.3 | -179.8 | -72.5 | -33.1 | 0 | 0 | 0 | 110.6 | D60 E65 A66 V67 | D60-D63 PolarHBondContact O-N 3.26Å; D60-D63 VanDerWaalsContact O-N 3.1Å; D63-E65 PolarHBondContact O-N 2.83Å; D63-E65 VanDerWaalsContact O-N 3.15Å; D63-A66 HydrophobicContact CB-CB 3.75Å; D63-A66 WeakPolarHBondContact O-CB 3.4Å; D63-A66 PolarHBondContact O-N 2.74Å; D63-V67 PolarHBondContact O-N 2.9Å | ||
| 64 | A | 71.9 | Confident | 69.7 | Low | 81 Ų | 81 | 82 Ų | 82 | 67% | 0.669 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -54.4 | -34.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q68 | A64-Q68 WeakPolarHBondContact O-CB 3.36Å; A64-Q68 PolarHBondContact O-N 3.46Å |
| 65 | E | 76.9 | Confident | 71.3 | Confident | 127 Ų | 127 | 81.7 Ų | 81.7 | 59% | 0.593 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -69.2 | -37.3 | 176.7 | -160.9 | -170.2 | 152.1 | 0 | 0 | 112.2 | D63 Q68 K69 | D63-E65 PolarHBondContact O-N 2.83Å; D63-E65 VanDerWaalsContact O-N 3.15Å; E65-Q68 PolarHBondContact O-N 3.18Å; E65-K69 WeakPolarHBondContact O-CG 3.47Å; E65-K69 PolarHBondContact O-N 3.37Å; E65-K69 WeakPolarHBondContact OE1-CE 3.46Å; E65-K69 IonicContact OE1-NZ 3.62Å; E65-K69 PolarHBondContact OE1-NZ 2.86Å |
| 66 | A | 78.1 | Confident | 73 | Confident | 31 Ų | 31 | 83.9 Ų | 83.9 | 26% | 0.256 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -71.5 | -40.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | P59 D63 Q68 K69 F70 | P59-A66 HydrophobicContact CB-CB 3.93Å; D63-A66 HydrophobicContact CB-CB 3.75Å; D63-A66 WeakPolarHBondContact O-CB 3.4Å; D63-A66 PolarHBondContact O-N 2.74Å; A66-Q68 VanDerWaalsContact C-N 3.35Å; A66-K69 PolarHBondContact O-N 3.38Å; A66-F70 WeakPolarHBondContact O-CB 3.45Å; A66-F70 PolarHBondContact O-N 3.48Å |
| 67 | V | 77.5 | Confident | 74.9 | Confident | 26 Ų | 26 | 83 Ų | 83 | 16% | 0.158 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -60.1 | -45.2 | 172.9 | 166.9 | 0 | 0 | 0 | 0 | 111 | P59 L61 D63 F70 F71 V100 | P59-V67 HydrophobicContact CG-CG2 4.5Å; L61-V67 HydrophobicContact CD2-CG2 4.23Å; D63-V67 PolarHBondContact O-N 2.9Å; V67-F70 PolarHBondContact O-N 2.94Å; V67-F71 VanDerWaalsContact O-CB 3.25Å; V67-F71 WeakPolarHBondContact O-CB 3.25Å; V67-F71 PolarHBondContact O-N 3.32Å; V67-V100 HydrophobicContact CB-CG1 4.3Å; V67-V100 HydrophobicContact CG1-CB 4.25Å; V67-V100 HydrophobicContact CG1-CG1 3.47Å; V67-V100 VanDerWaalsContact CG1-CG1 3.47Å; V67-V100 HydrophobicContact CG2-CG1 4.08Å |
| 68 | Q | 76.3 | Confident | 76.6 | Confident | 124 Ų | 124 | 75.8 Ų | 75.8 | 58% | 0.579 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -65.6 | -39.2 | 178.4 | -172.3 | 177.8 | -6.3 | 0 | 0 | 112.4 | A64 E65 A66 F71 L72 | A64-Q68 WeakPolarHBondContact O-CB 3.36Å; A64-Q68 PolarHBondContact O-N 3.46Å; E65-Q68 PolarHBondContact O-N 3.18Å; A66-Q68 VanDerWaalsContact C-N 3.35Å; Q68-F71 WeakPolarHBondContact O-CB 3.42Å; Q68-F71 PolarHBondContact O-N 3.24Å; Q68-L72 WeakPolarHBondContact O-CG 3.5Å; Q68-L72 PolarHBondContact O-N 3.47Å; Q68-L72 VanDerWaalsContact O-N 3.09Å |
| 69 | K | 83.9 | Confident | 78 | Confident | 123 Ų | 123 | 75.5 Ų | 75.5 | 54% | 0.535 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.7 | -47.3 | 174.7 | -77.4 | 174.4 | -174.3 | 164.1 | 0 | 111.8 | E65 A66 F71 L72 E73 | E65-K69 WeakPolarHBondContact O-CG 3.47Å; E65-K69 PolarHBondContact O-N 3.37Å; E65-K69 WeakPolarHBondContact OE1-CE 3.46Å; E65-K69 IonicContact OE1-NZ 3.62Å; E65-K69 PolarHBondContact OE1-NZ 2.86Å; A66-K69 PolarHBondContact O-N 3.38Å; K69-F71 VanDerWaalsContact C-N 3.31Å; K69-F71 PolarHBondContact O-N 3.33Å; K69-L72 PolarHBondContact O-N 2.81Å; K69-E73 WeakPolarHBondContact O-CB 3.5Å; K69-E73 PolarHBondContact O-N 2.98Å |
| 70 | F | 85.1 | Confident | 79.6 | Confident | 13 Ų | 13 | 79 Ų | 79 | 6% | 0.057 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -60.8 | -42.2 | 177 | 178.9 | -96.5 | 0 | 0 | 0 | 111.8 | K57 L58 P59 A66 V67 L72 E73 E74 V100 | K57-F70 WeakPolarHBondContact O-CE2 3.37Å; L58-F70 HydrophobicContact CD2-CE1 4.04Å; L58-F70 HydrophobicContact CD2-CZ 4.16Å; P59-F70 HydrophobicContact CG-CB 3.71Å; P59-F70 HydrophobicContact CG-CD2 4.44Å; P59-F70 HydrophobicContact CG-CG 3.99Å; A66-F70 WeakPolarHBondContact O-CB 3.45Å; A66-F70 PolarHBondContact O-N 3.48Å; V67-F70 PolarHBondContact O-N 2.94Å; F70-L72 PolarHBondContact O-N 3.03Å; F70-E73 PolarHBondContact O-N 3.25Å; F70-E74 HydrophobicContact CD1-CG 4.08Å; F70-E74 HydrophobicContact CD2-CG 4.37Å; F70-E74 HydrophobicContact CE1-CG 3.63Å; F70-E74 HydrophobicContact CE2-CG 3.94Å; F70-E74 HydrophobicContact CG-CG 4.43Å; F70-E74 HydrophobicContact CZ-CG 3.54Å; F70-E74 WeakPolarHBondContact O-CB 3.48Å; F70-E74 WeakPolarHBondContact O-CG 3.37Å; F70-E74 PolarHBondContact O-N 3.45Å; F70-V100 HydrophobicContact CD1-CG2 3.81Å; F70-V100 HydrophobicContact CE1-CG2 3.71Å |
| 71 | F | 84.1 | Confident | 81 | Confident | 34 Ų | 34 | 75.2 Ų | 75.2 | 15% | 0.149 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -56.6 | -49 | 175.2 | 171.6 | -94.4 | 0 | 0 | 0 | 112.4 | V67 Q68 K69 I75 A97 L107 | V67-F71 VanDerWaalsContact O-CB 3.25Å; V67-F71 WeakPolarHBondContact O-CB 3.25Å; V67-F71 PolarHBondContact O-N 3.32Å; Q68-F71 WeakPolarHBondContact O-CB 3.42Å; Q68-F71 PolarHBondContact O-N 3.24Å; K69-F71 VanDerWaalsContact C-N 3.31Å; K69-F71 PolarHBondContact O-N 3.33Å; F71-I75 HydrophobicContact CE1-CD1 3.61Å; F71-I75 HydrophobicContact CE1-CG1 4.46Å; F71-I75 HydrophobicContact CE2-CD1 3.72Å; F71-I75 HydrophobicContact CE2-CG1 4.29Å; F71-I75 HydrophobicContact CZ-CD1 3.1Å; F71-I75 HydrophobicContact CZ-CG1 4.05Å; F71-I75 PolarHBondContact O-N 3.48Å; F71-I75 VanDerWaalsContact O-N 3.13Å; F71-A97 HydrophobicContact CD2-CB 3.8Å; F71-A97 WeakPolarHBondContact CD2-O 3.44Å; F71-A97 HydrophobicContact CE2-CB 3.86Å; F71-L107 HydrophobicContact CE1-CD1 4.11Å; F71-L107 HydrophobicContact CE2-CD1 3.41Å; F71-L107 VanDerWaalsContact CE2-CD1 3.41Å; F71-L107 HydrophobicContact CE2-CD2 3.51Å; F71-L107 HydrophobicContact CE2-CG 3.99Å; F71-L107 HydrophobicContact CZ-CD1 3.1Å; F71-L107 HydrophobicContact CZ-CD2 3.78Å; F71-L107 HydrophobicContact CZ-CG 3.85Å |
| 72 | L | 84.9 | Confident | 82.1 | Confident | 86 Ų | 86 | 70.6 Ų | 70.6 | 45% | 0.45 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.7 | -40 | 179.2 | -70.2 | 172 | 0 | 0 | 0 | 111.9 | Q68 K69 F70 I75 Q76 | Q68-L72 WeakPolarHBondContact O-CG 3.5Å; Q68-L72 PolarHBondContact O-N 3.47Å; Q68-L72 VanDerWaalsContact O-N 3.09Å; K69-L72 PolarHBondContact O-N 2.81Å; F70-L72 PolarHBondContact O-N 3.03Å; L72-I75 PolarHBondContact O-N 2.93Å; L72-Q76 VanDerWaalsContact O-CG 3.3Å; L72-Q76 WeakPolarHBondContact O-CG 3.41Å; L72-Q76 PolarHBondContact O-N 3.47Å |
| 73 | E | 87.7 | Confident | 83.2 | Confident | 96 Ų | 96 | 66.7 Ų | 66.7 | 45% | 0.449 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63 | -45.5 | 177.7 | -171.3 | 179 | 179.2 | 0 | 0 | 111.5 | K69 F70 I75 Q76 L77 | K69-E73 WeakPolarHBondContact O-CB 3.5Å; K69-E73 PolarHBondContact O-N 2.98Å; F70-E73 PolarHBondContact O-N 3.25Å; E73-I75 PolarHBondContact O-N 3.32Å; E73-Q76 PolarHBondContact O-N 2.96Å; E73-L77 HydrophobicContact CG-CD1 4.16Å; E73-L77 WeakPolarHBondContact O-CB 3.28Å; E73-L77 WeakPolarHBondContact O-CG 3.37Å; E73-L77 PolarHBondContact O-N 3.33Å |
| 74 | E | 87.1 | Confident | 83.9 | Confident | 17 Ų | 17 | 67.5 Ų | 67.5 | 8% | 0.079 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.5 | -36.9 | 178 | -73.9 | -72.7 | 134.7 | 0 | 0 | 112.3 | F70 G78 H93 N96 A97 | F70-E74 HydrophobicContact CD1-CG 4.08Å; F70-E74 HydrophobicContact CD2-CG 4.37Å; F70-E74 HydrophobicContact CE1-CG 3.63Å; F70-E74 HydrophobicContact CE2-CG 3.94Å; F70-E74 HydrophobicContact CG-CG 4.43Å; F70-E74 HydrophobicContact CZ-CG 3.54Å; F70-E74 WeakPolarHBondContact O-CB 3.48Å; F70-E74 WeakPolarHBondContact O-CG 3.37Å; F70-E74 PolarHBondContact O-N 3.45Å; E74-G78 PolarHBondContact O-N 3.4Å; E74-H93 VanDerWaalsContact CD-ND1 3.33Å; E74-H93 IonicContact OE1-CE1 3.93Å; E74-H93 IonicContact OE1-ND1 3.38Å; E74-H93 PolarHBondContact OE1-ND1 3Å; E74-H93 VanDerWaalsContact OE2-CA 3.3Å; E74-H93 WeakPolarHBondContact OE2-CA 3.48Å; E74-H93 IonicContact OE2-CE1 3.84Å; E74-H93 IonicContact OE2-CG 3.47Å; E74-H93 IonicContact OE2-ND1 2.74Å; E74-H93 PolarHBondContact OE2-ND1 3.48Å; E74-N96 HydrophobicContact CG-CB 4.46Å; E74-N96 WeakPolarHBondContact OE2-CB 3.39Å; E74-N96 PolarHBondContact OE2-ND2 3.39Å; E74-A97 HydrophobicContact CB-CB 3.92Å |
| 75 | I | 85.5 | Confident | 84.4 | Confident | 25 Ų | 25 | 65.6 Ų | 65.6 | 13% | 0.128 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.4 | -46.4 | 173.6 | -71.9 | -167.8 | 0 | 0 | 0 | 111.2 | F71 L72 E73 L77 G78 E79 L94 A97 | F71-I75 HydrophobicContact CE1-CD1 3.61Å; F71-I75 HydrophobicContact CE1-CG1 4.46Å; F71-I75 HydrophobicContact CE2-CD1 3.72Å; F71-I75 HydrophobicContact CE2-CG1 4.29Å; F71-I75 HydrophobicContact CZ-CD1 3.1Å; F71-I75 HydrophobicContact CZ-CG1 4.05Å; F71-I75 PolarHBondContact O-N 3.48Å; F71-I75 VanDerWaalsContact O-N 3.13Å; L72-I75 PolarHBondContact O-N 2.93Å; E73-I75 PolarHBondContact O-N 3.32Å; I75-L77 PolarHBondContact O-N 3.06Å; I75-G78 WeakPolarHBondContact O-CA 3.46Å; I75-G78 PolarHBondContact O-N 3.08Å; I75-E79 HydrophobicContact CG2-CG 4.32Å; I75-E79 WeakPolarHBondContact O-CG 3.45Å; I75-E79 PolarHBondContact O-N 2.92Å; I75-L94 HydrophobicContact CG1-CD2 4.15Å; I75-L94 HydrophobicContact CG2-CD2 4.47Å; I75-A97 HydrophobicContact CG1-CB 3.87Å |
| 76 | Q | 86.9 | Confident | 84.7 | Confident | 129 Ų | 129 | 63.2 Ų | 63.2 | 60% | 0.603 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -60.7 | -46.6 | 179.8 | -74.8 | 175.4 | -4.5 | 0 | 0 | 111.6 | L72 E73 G78 E79 E80 | L72-Q76 VanDerWaalsContact O-CG 3.3Å; L72-Q76 WeakPolarHBondContact O-CG 3.41Å; L72-Q76 PolarHBondContact O-N 3.47Å; E73-Q76 PolarHBondContact O-N 2.96Å; Q76-G78 VanDerWaalsContact C-N 3.31Å; Q76-G78 PolarHBondContact O-N 3.38Å; Q76-E79 PolarHBondContact O-N 3.18Å; Q76-E80 WeakPolarHBondContact O-CB 3.3Å; Q76-E80 PolarHBondContact O-N 3.33Å |
| 77 | L | 88.1 | Confident | 85 | Confident | 57 Ų | 57 | 66.3 Ų | 66.3 | 30% | 0.298 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.8 | -40.6 | 174.9 | -74.8 | 169.5 | 0 | 0 | 0 | 111.6 | E73 I75 E80 L81 | E73-L77 HydrophobicContact CG-CD1 4.16Å; E73-L77 WeakPolarHBondContact O-CB 3.28Å; E73-L77 WeakPolarHBondContact O-CG 3.37Å; E73-L77 PolarHBondContact O-N 3.33Å; I75-L77 PolarHBondContact O-N 3.06Å; L77-E80 PolarHBondContact O-N 3.38Å; L77-L81 WeakPolarHBondContact O-CB 3.49Å; L77-L81 WeakPolarHBondContact O-CD1 3.38Å; L77-L81 VanDerWaalsContact O-CG 3.24Å; L77-L81 WeakPolarHBondContact O-CG 3.29Å; L77-L81 PolarHBondContact O-N 3.2Å |
| 78 | G | 88.6 | Confident | 85.2 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -57.3 | -53.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E74 I75 Q76 E80 L81 L82 | E74-G78 PolarHBondContact O-N 3.4Å; I75-G78 WeakPolarHBondContact O-CA 3.46Å; I75-G78 PolarHBondContact O-N 3.08Å; Q76-G78 VanDerWaalsContact C-N 3.31Å; Q76-G78 PolarHBondContact O-N 3.38Å; G78-E80 PolarHBondContact O-N 2.94Å; G78-L81 PolarHBondContact O-N 3.16Å; G78-L82 WeakPolarHBondContact O-CB 3.47Å; G78-L82 WeakPolarHBondContact O-CG 3.41Å; G78-L82 PolarHBondContact O-N 3.24Å |
| 79 | E | 85.3 | Confident | 85.5 | Confident | 85 Ų | 85 | 71.6 Ų | 71.6 | 40% | 0.397 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.5 | -38.6 | 179 | -71 | -177.7 | 168.9 | 0 | 0 | 112.8 | I75 Q76 L82 S83 | I75-E79 HydrophobicContact CG2-CG 4.32Å; I75-E79 WeakPolarHBondContact O-CG 3.45Å; I75-E79 PolarHBondContact O-N 2.92Å; Q76-E79 PolarHBondContact O-N 3.18Å; E79-L82 WeakPolarHBondContact O-CB 3.4Å; E79-L82 PolarHBondContact O-N 3.02Å; E79-S83 PolarHBondContact O-N 3.42Å |
| 80 | E | 88.1 | Confident | 85.6 | Confident | 102 Ų | 102 | 65.8 Ų | 65.8 | 48% | 0.477 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.9 | -48.1 | 175.6 | -174.5 | 177.7 | -178.1 | 0 | 0 | 111.1 | Q76 L77 G78 L82 S83 Q84 | Q76-E80 WeakPolarHBondContact O-CB 3.3Å; Q76-E80 PolarHBondContact O-N 3.33Å; L77-E80 PolarHBondContact O-N 3.38Å; G78-E80 PolarHBondContact O-N 2.94Å; E80-L82 VanDerWaalsContact C-N 3.29Å; E80-L82 PolarHBondContact O-N 3.12Å; E80-S83 WeakPolarHBondContact O-CB 3.39Å; E80-S83 PolarHBondContact O-N 2.89Å; E80-S83 PolarHBondContact O-OG 3.1Å; E80-Q84 WeakPolarHBondContact O-CG 3.43Å; E80-Q84 PolarHBondContact O-N 3.33Å; E80-Q84 PolarHBondContact OE1-NE2 2.92Å |
| 81 | L | 88.3 | Confident | 85.6 | Confident | 25 Ų | 25 | 65.2 Ų | 65.2 | 13% | 0.131 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.9 | -35.7 | 177.6 | -71.3 | 166.9 | 0 | 0 | 0 | 112.1 | L77 G78 S83 Q84 G85 E86 K89 H93 | L77-L81 WeakPolarHBondContact O-CB 3.49Å; L77-L81 WeakPolarHBondContact O-CD1 3.38Å; L77-L81 VanDerWaalsContact O-CG 3.24Å; L77-L81 WeakPolarHBondContact O-CG 3.29Å; L77-L81 PolarHBondContact O-N 3.2Å; G78-L81 PolarHBondContact O-N 3.16Å; L81-S83 VanDerWaalsContact C-N 3.34Å; L81-Q84 PolarHBondContact O-N 2.94Å; L81-G85 PolarHBondContact O-N 3.48Å; L81-E86 HydrophobicContact CB-CB 4.38Å; L81-E86 HydrophobicContact CD2-CB 4.26Å; L81-E86 WeakPolarHBondContact CD2-OE2 3.45Å; L81-E86 PolarHBondContact O-N 2.97Å; L81-K89 HydrophobicContact CD1-CB 3.9Å; L81-H93 WeakPolarHBondContact CD1-CD2 3.48Å |
| 82 | L | 85.4 | Confident | 85.6 | Confident | 21 Ų | 21 | 66.7 Ų | 66.7 | 11% | 0.11 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63 | -40.5 | 171.8 | -69.3 | 172.5 | 0 | 0 | 0 | 111.8 | G78 E79 E80 Q84 G85 F87 L94 L115 V119 | G78-L82 WeakPolarHBondContact O-CB 3.47Å; G78-L82 WeakPolarHBondContact O-CG 3.41Å; G78-L82 PolarHBondContact O-N 3.24Å; E79-L82 WeakPolarHBondContact O-CB 3.4Å; E79-L82 PolarHBondContact O-N 3.02Å; E80-L82 VanDerWaalsContact C-N 3.29Å; E80-L82 PolarHBondContact O-N 3.12Å; L82-Q84 VanDerWaalsContact C-N 3.29Å; L82-Q84 PolarHBondContact O-N 3.47Å; L82-G85 PolarHBondContact O-N 3.43Å; L82-G85 VanDerWaalsContact O-N 3.17Å; L82-F87 HydrophobicContact CD2-CB 4.49Å; L82-F87 HydrophobicContact CD2-CD1 3.65Å; L82-F87 HydrophobicContact CD2-CE1 4.4Å; L82-L94 HydrophobicContact CD1-CD1 3.82Å; L82-L115 HydrophobicContact CD1-CD2 3.73Å; L82-V119 HydrophobicContact CD1-CG1 3.74Å; L82-V119 HydrophobicContact CD2-CB 4.33Å; L82-V119 HydrophobicContact CD2-CG1 3.36Å; L82-V119 HydrophobicContact CD2-CG2 3.99Å; L82-V119 HydrophobicContact CG-CG1 4.21Å |
| 83 | S | 83.7 | Confident | 85.7 | Confident | 100 Ų | 100 | 64.9 Ų | 64.9 | 70% | 0.699 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -67.1 | -29.6 | 176.6 | 81 | 0 | 0 | 0 | 0 | 113 | E79 E80 L81 G85 | E79-S83 PolarHBondContact O-N 3.42Å; E80-S83 WeakPolarHBondContact O-CB 3.39Å; E80-S83 PolarHBondContact O-N 2.89Å; E80-S83 PolarHBondContact O-OG 3.1Å; L81-S83 VanDerWaalsContact C-N 3.34Å; S83-G85 VanDerWaalsContact C-N 3.27Å; S83-G85 PolarHBondContact O-N 2.96Å |
| 84 | Q | 87.7 | Confident | 85.5 | Confident | 116 Ų | 116 | 60.3 Ų | 60.3 | 54% | 0.542 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -7.1 | 175.5 | -66.2 | 176.3 | 17.4 | 0 | 0 | 113.1 | E80 L81 L82 | E80-Q84 WeakPolarHBondContact O-CG 3.43Å; E80-Q84 PolarHBondContact O-N 3.33Å; E80-Q84 PolarHBondContact OE1-NE2 2.92Å; L81-Q84 PolarHBondContact O-N 2.94Å; L82-Q84 VanDerWaalsContact C-N 3.29Å; L82-Q84 PolarHBondContact O-N 3.47Å |
| 85 | G | 82.8 | Confident | 85.3 | Confident | 41 Ų | 41 | 60.1 Ų | 60.1 | 42% | 0.423 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | 7.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L81 L82 S83 F87 | L81-G85 PolarHBondContact O-N 3.48Å; L82-G85 PolarHBondContact O-N 3.43Å; L82-G85 VanDerWaalsContact O-N 3.17Å; S83-G85 VanDerWaalsContact C-N 3.27Å; S83-G85 PolarHBondContact O-N 2.96Å; G85-F87 VanDerWaalsContact C-N 3.31Å; G85-F87 VanDerWaalsContact O-CD2 3.29Å; G85-F87 WeakPolarHBondContact O-CD2 3.42Å; G85-F87 PolarHBondContact O-N 3.48Å; G85-F87 VanDerWaalsContact O-N 3.13Å |
| 86 | E | 84.2 | Confident | 85.1 | Confident | 77 Ų | 77 | 60.2 Ų | 60.2 | 36% | 0.36 | 31% | 0.307 | S | S | . | . | trans | -85.8 | 68.1 | 174 | -68.2 | -157.4 | 161.6 | 0 | 0 | 111.2 | L81 E88 K89 G90 | L81-E86 HydrophobicContact CB-CB 4.38Å; L81-E86 HydrophobicContact CD2-CB 4.26Å; L81-E86 WeakPolarHBondContact CD2-OE2 3.45Å; L81-E86 PolarHBondContact O-N 2.97Å; E86-E88 PolarHBondContact O-N 3.44Å; E86-K89 VanDerWaalsContact CD-NZ 3.31Å; E86-K89 PolarHBondContact O-N 2.86Å; E86-K89 IonicContact OE1-NZ 3.15Å; E86-K89 PolarHBondContact OE1-NZ 3.05Å; E86-K89 VanDerWaalsContact OE1-NZ 3.15Å; E86-K89 VanDerWaalsContact OE2-CD 3.23Å; E86-K89 WeakPolarHBondContact OE2-CD 3.4Å; E86-K89 VanDerWaalsContact OE2-CE 3.28Å; E86-K89 WeakPolarHBondContact OE2-CE 3.3Å; E86-K89 IonicContact OE2-NZ 2.69Å; E86-K89 PolarHBondContact OE2-NZ 3.4Å; E86-G90 PolarHBondContact O-N 2.91Å | ||
| 87 | F | 83.4 | Confident | 84.9 | Confident | 95 Ų | 95 | 54.1 Ų | 54.1 | 42% | 0.417 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.8 | -39.5 | -173.1 | -60.7 | -72.2 | 0 | 0 | 0 | 114.7 | L82 G85 V91 V119 M122 | L82-F87 HydrophobicContact CD2-CB 4.49Å; L82-F87 HydrophobicContact CD2-CD1 3.65Å; L82-F87 HydrophobicContact CD2-CE1 4.4Å; G85-F87 VanDerWaalsContact C-N 3.31Å; G85-F87 VanDerWaalsContact O-CD2 3.29Å; G85-F87 WeakPolarHBondContact O-CD2 3.42Å; G85-F87 PolarHBondContact O-N 3.48Å; G85-F87 VanDerWaalsContact O-N 3.13Å; F87-V91 WeakPolarHBondContact O-CB 3.41Å; F87-V91 VanDerWaalsContact O-CG2 3.23Å; F87-V91 WeakPolarHBondContact O-CG2 3.2Å; F87-V91 PolarHBondContact O-N 2.99Å; F87-V119 HydrophobicContact CD1-CG2 3.68Å; F87-V119 HydrophobicContact CE1-CG2 3.86Å; F87-M122 HydrophobicContact CB-CE 3.8Å; F87-M122 HydrophobicContact CB-SD 4.3Å |
| 88 | E | 82.4 | Confident | 84.6 | Confident | 153 Ų | 153 | 51.5 Ų | 51.5 | 72% | 0.715 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -63.3 | -48.2 | -178.6 | -65.3 | -163.7 | 155.4 | 0 | 0 | 111.9 | E86 V91 D92 | E86-E88 PolarHBondContact O-N 3.44Å; E88-V91 PolarHBondContact O-N 3.13Å; E88-D92 PolarHBondContact O-N 2.96Å; E88-D92 VanDerWaalsContact O-N 3.1Å |
| 89 | K | 82.4 | Confident | 84.1 | Confident | 109 Ų | 109 | 53.8 Ų | 53.8 | 47% | 0.474 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -70 | -38.3 | -179.6 | -58.6 | -166.7 | -156.8 | 143.9 | 0 | 111.6 | L81 E86 V91 D92 H93 | L81-K89 HydrophobicContact CD1-CB 3.9Å; E86-K89 VanDerWaalsContact CD-NZ 3.31Å; E86-K89 PolarHBondContact O-N 2.86Å; E86-K89 IonicContact OE1-NZ 3.15Å; E86-K89 PolarHBondContact OE1-NZ 3.05Å; E86-K89 VanDerWaalsContact OE1-NZ 3.15Å; E86-K89 VanDerWaalsContact OE2-CD 3.23Å; E86-K89 WeakPolarHBondContact OE2-CD 3.4Å; E86-K89 VanDerWaalsContact OE2-CE 3.28Å; E86-K89 WeakPolarHBondContact OE2-CE 3.3Å; E86-K89 IonicContact OE2-NZ 2.69Å; E86-K89 PolarHBondContact OE2-NZ 3.4Å; K89-V91 VanDerWaalsContact C-N 3.31Å; K89-V91 PolarHBondContact O-N 3.33Å; K89-D92 PolarHBondContact O-N 2.95Å; K89-H93 PolarHBondContact O-CD2 3.14Å; K89-H93 VanDerWaalsContact O-CD2 3.26Å; K89-H93 PolarHBondContact O-N 3.11Å; K89-H93 VanDerWaalsContact O-N 3.08Å |
| 90 | G | 86.2 | Confident | 83.7 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.4 | -41.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E86 H93 L94 | E86-G90 PolarHBondContact O-N 2.91Å; G90-H93 PolarHBondContact O-N 2.81Å; G90-L94 WeakPolarHBondContact O-CG 3.44Å; G90-L94 PolarHBondContact O-N 2.92Å; G90-L94 VanDerWaalsContact O-N 3.09Å |
| 91 | V | 84.3 | Confident | 82.9 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68 | -34 | 175.5 | 172.4 | 0 | 0 | 0 | 0 | 112.2 | F87 E88 K89 T95 V119 M122 L123 K126 | F87-V91 WeakPolarHBondContact O-CB 3.41Å; F87-V91 VanDerWaalsContact O-CG2 3.23Å; F87-V91 WeakPolarHBondContact O-CG2 3.2Å; F87-V91 PolarHBondContact O-N 2.99Å; E88-V91 PolarHBondContact O-N 3.13Å; K89-V91 VanDerWaalsContact C-N 3.31Å; K89-V91 PolarHBondContact O-N 3.33Å; V91-T95 WeakPolarHBondContact O-CB 3.38Å; V91-T95 PolarHBondContact O-N 3.21Å; V91-T95 PolarHBondContact O-OG1 3.39Å; V91-V119 HydrophobicContact CG2-CG1 3.95Å; V91-M122 HydrophobicContact CG2-CB 4.25Å; V91-M122 HydrophobicContact CG2-CG 4.48Å; V91-M122 HydrophobicContact CG2-SD 4.29Å; V91-L123 HydrophobicContact CG1-CB 4.02Å; V91-L123 HydrophobicContact CG1-CG 4.47Å; V91-K126 HydrophobicContact CG1-CG 4.22Å |
| 92 | D | 84.2 | Confident | 82.1 | Confident | 65 Ų | 65 | 49.7 Ų | 49.7 | 35% | 0.348 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.6 | -40.1 | 175.5 | -73.9 | -22.2 | 0 | 0 | 0 | 111.8 | E88 K89 T95 N96 K126 | E88-D92 PolarHBondContact O-N 2.96Å; E88-D92 VanDerWaalsContact O-N 3.1Å; K89-D92 PolarHBondContact O-N 2.95Å; D92-T95 VanDerWaalsContact O-CB 3.29Å; D92-T95 WeakPolarHBondContact O-CB 3.37Å; D92-T95 PolarHBondContact O-N 3.43Å; D92-N96 PolarHBondContact O-N 3.37Å; D92-N96 PolarHBondContact O-ND2 3.39Å; D92-N96 PolarHBondContact O-OD1 2.68Å; D92-K126 IonicContact OD1-NZ 3.97Å |
| 93 | H | 87.1 | Confident | 81.2 | Confident | 49 Ų | 49 | 54.8 Ų | 54.8 | 23% | 0.227 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.5 | -43.8 | 174.7 | -78.3 | -71.5 | 0 | 0 | 0 | 112.7 | E74 L81 K89 G90 T95 N96 A97 | E74-H93 VanDerWaalsContact CD-ND1 3.33Å; E74-H93 IonicContact OE1-CE1 3.93Å; E74-H93 IonicContact OE1-ND1 3.38Å; E74-H93 PolarHBondContact OE1-ND1 3Å; E74-H93 VanDerWaalsContact OE2-CA 3.3Å; E74-H93 WeakPolarHBondContact OE2-CA 3.48Å; E74-H93 IonicContact OE2-CE1 3.84Å; E74-H93 IonicContact OE2-CG 3.47Å; E74-H93 IonicContact OE2-ND1 2.74Å; E74-H93 PolarHBondContact OE2-ND1 3.48Å; L81-H93 WeakPolarHBondContact CD1-CD2 3.48Å; K89-H93 PolarHBondContact O-CD2 3.14Å; K89-H93 VanDerWaalsContact O-CD2 3.26Å; K89-H93 PolarHBondContact O-N 3.11Å; K89-H93 VanDerWaalsContact O-N 3.08Å; G90-H93 PolarHBondContact O-N 2.81Å; H93-T95 VanDerWaalsContact C-N 3.25Å; H93-T95 PolarHBondContact O-N 3.21Å; H93-N96 WeakPolarHBondContact O-CB 3.3Å; H93-N96 PolarHBondContact O-N 3.32Å; H93-N96 VanDerWaalsContact O-N 3.12Å; H93-A97 PolarHBondContact O-N 3.36Å |
| 94 | L | 84.3 | Confident | 80.6 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.8 | -37.4 | 174 | -70.7 | 171.1 | 0 | 0 | 0 | 112.3 | I75 L82 G90 A97 I98 L111 L115 L123 | I75-L94 HydrophobicContact CG1-CD2 4.15Å; I75-L94 HydrophobicContact CG2-CD2 4.47Å; L82-L94 HydrophobicContact CD1-CD1 3.82Å; G90-L94 WeakPolarHBondContact O-CG 3.44Å; G90-L94 PolarHBondContact O-N 2.92Å; G90-L94 VanDerWaalsContact O-N 3.09Å; L94-A97 PolarHBondContact O-N 2.76Å; L94-I98 WeakPolarHBondContact O-CD1 3.48Å; L94-I98 WeakPolarHBondContact O-CG1 3.36Å; L94-I98 PolarHBondContact O-N 3.45Å; L94-L111 HydrophobicContact CD2-CD2 4.03Å; L94-L115 HydrophobicContact CD1-CD1 3.68Å; L94-L123 HydrophobicContact CB-CD1 3.71Å; L94-L123 HydrophobicContact CD1-CD1 4.06Å |
| 95 | T | 82.4 | Confident | 79.7 | Confident | 13 Ų | 13 | 55 Ų | 55 | 8% | 0.08 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.5 | -45 | 173.7 | -77.6 | 0 | 0 | 0 | 0 | 111.9 | V91 D92 H93 A97 I98 A99 I130 | V91-T95 WeakPolarHBondContact O-CB 3.38Å; V91-T95 PolarHBondContact O-N 3.21Å; V91-T95 PolarHBondContact O-OG1 3.39Å; D92-T95 VanDerWaalsContact O-CB 3.29Å; D92-T95 WeakPolarHBondContact O-CB 3.37Å; D92-T95 PolarHBondContact O-N 3.43Å; H93-T95 VanDerWaalsContact C-N 3.25Å; H93-T95 PolarHBondContact O-N 3.21Å; T95-A97 VanDerWaalsContact C-N 3.35Å; T95-I98 PolarHBondContact O-N 3.08Å; T95-A99 PolarHBondContact O-N 3.13Å; T95-A99 VanDerWaalsContact O-N 3.08Å; T95-I130 HydrophobicContact CG2-CD1 3.11Å; T95-I130 HydrophobicContact CG2-CG1 3.56Å |
| 96 | N | 81.3 | Confident | 79.3 | Confident | 27 Ų | 27 | 59.1 Ų | 59.1 | 14% | 0.144 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.8 | -42.4 | 177.5 | -63.3 | -28.9 | 0 | 0 | 0 | 110.9 | E74 D92 H93 I98 A99 V100 | E74-N96 HydrophobicContact CG-CB 4.46Å; E74-N96 WeakPolarHBondContact OE2-CB 3.39Å; E74-N96 PolarHBondContact OE2-ND2 3.39Å; D92-N96 PolarHBondContact O-N 3.37Å; D92-N96 PolarHBondContact O-ND2 3.39Å; D92-N96 PolarHBondContact O-OD1 2.68Å; H93-N96 WeakPolarHBondContact O-CB 3.3Å; H93-N96 PolarHBondContact O-N 3.32Å; H93-N96 VanDerWaalsContact O-N 3.12Å; N96-I98 VanDerWaalsContact C-N 3.32Å; N96-I98 PolarHBondContact O-N 3.09Å; N96-A99 WeakPolarHBondContact O-CB 3.25Å; N96-A99 PolarHBondContact O-N 2.87Å; N96-A99 VanDerWaalsContact O-N 3.08Å; N96-V100 VanDerWaalsContact O-CG2 3.29Å; N96-V100 WeakPolarHBondContact O-CG2 3.38Å; N96-V100 PolarHBondContact O-N 3.48Å |
| 97 | A | 83.7 | Confident | 78.8 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.008 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.6 | -42.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F71 E74 I75 H93 L94 T95 A99 V100 C101 | F71-A97 HydrophobicContact CD2-CB 3.8Å; F71-A97 WeakPolarHBondContact CD2-O 3.44Å; F71-A97 HydrophobicContact CE2-CB 3.86Å; E74-A97 HydrophobicContact CB-CB 3.92Å; I75-A97 HydrophobicContact CG1-CB 3.87Å; H93-A97 PolarHBondContact O-N 3.36Å; L94-A97 PolarHBondContact O-N 2.76Å; T95-A97 VanDerWaalsContact C-N 3.35Å; A97-A99 VanDerWaalsContact C-N 3.31Å; A97-A99 PolarHBondContact O-N 3.28Å; A97-V100 PolarHBondContact O-N 2.9Å; A97-C101 PolarHBondContact O-N 2.9Å |
| 98 | I | 80.7 | Confident | 78.5 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64 | -36.6 | 175.4 | -68.3 | 158.7 | 0 | 0 | 0 | 111.4 | L94 T95 N96 V100 C101 P104 L107 L111 L123 L127 | L94-I98 WeakPolarHBondContact O-CD1 3.48Å; L94-I98 WeakPolarHBondContact O-CG1 3.36Å; L94-I98 PolarHBondContact O-N 3.45Å; T95-I98 PolarHBondContact O-N 3.08Å; N96-I98 VanDerWaalsContact C-N 3.32Å; N96-I98 PolarHBondContact O-N 3.09Å; I98-V100 VanDerWaalsContact C-N 3.26Å; I98-V100 PolarHBondContact O-N 3.4Å; I98-C101 WeakPolarHBondContact O-CB 3.39Å; I98-C101 PolarHBondContact O-N 3.47Å; I98-C101 VanDerWaalsContact O-N 3.13Å; I98-P104 HydrophobicContact CG2-CB 4.13Å; I98-L107 HydrophobicContact CG1-CD2 3.61Å; I98-L111 HydrophobicContact CD1-CD1 4.02Å; I98-L111 HydrophobicContact CG1-CD1 4.31Å; I98-L123 HydrophobicContact CD1-CD1 4.07Å; I98-L123 HydrophobicContact CD1-CD2 3.87Å; I98-L123 HydrophobicContact CD1-CG 4.34Å; I98-L127 HydrophobicContact CD1-CD2 4.29Å; I98-L127 HydrophobicContact CG2-CD2 4.14Å |
| 99 | A | 78.4 | Confident | 78.3 | Confident | 48 Ų | 48 | 53.1 Ų | 53.1 | 40% | 0.397 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.8 | -28.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | T95 N96 A97 I130 | T95-A99 PolarHBondContact O-N 3.13Å; T95-A99 VanDerWaalsContact O-N 3.08Å; N96-A99 WeakPolarHBondContact O-CB 3.25Å; N96-A99 PolarHBondContact O-N 2.87Å; N96-A99 VanDerWaalsContact O-N 3.08Å; A97-A99 VanDerWaalsContact C-N 3.31Å; A97-A99 PolarHBondContact O-N 3.28Å; A99-I130 HydrophobicContact CB-CG2 4.08Å |
| 100 | V | 77.1 | Confident | 78.2 | Confident | 22 Ų | 22 | 52.2 Ų | 52.2 | 13% | 0.133 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -91.6 | -7 | 177.3 | -145.3 | 0 | 0 | 0 | 0 | 112.4 | L58 L61 V67 F70 N96 A97 I98 | L58-V100 HydrophobicContact CD2-CG2 4.27Å; L61-V100 HydrophobicContact CD2-CG1 3.71Å; V67-V100 HydrophobicContact CB-CG1 4.3Å; V67-V100 HydrophobicContact CG1-CB 4.25Å; V67-V100 HydrophobicContact CG1-CG1 3.47Å; V67-V100 VanDerWaalsContact CG1-CG1 3.47Å; V67-V100 HydrophobicContact CG2-CG1 4.08Å; F70-V100 HydrophobicContact CD1-CG2 3.81Å; F70-V100 HydrophobicContact CE1-CG2 3.71Å; N96-V100 VanDerWaalsContact O-CG2 3.29Å; N96-V100 WeakPolarHBondContact O-CG2 3.38Å; N96-V100 PolarHBondContact O-N 3.48Å; A97-V100 PolarHBondContact O-N 2.9Å; I98-V100 VanDerWaalsContact C-N 3.26Å; I98-V100 PolarHBondContact O-N 3.4Å |
| 101 | C | 71.8 | Confident | 77.8 | Confident | 33 Ų | 33 | 52.4 Ų | 52.4 | 22% | 0.223 | 29% | 0.293 | C | S | . | . | trans | -83.5 | 120.4 | -179.8 | -165.2 | 0 | 0 | 0 | 0 | 110.5 | A97 I98 Q103 | A97-C101 PolarHBondContact O-N 2.9Å; I98-C101 WeakPolarHBondContact O-CB 3.39Å; I98-C101 PolarHBondContact O-N 3.47Å; I98-C101 VanDerWaalsContact O-N 3.13Å; C101-Q103 PolarHBondContact O-N 2.9Å | ||
| 102 | G | 69.6 | Low | 77.5 | Confident | 72 Ų | 72 | 57.6 Ų | 57.6 | 74% | 0.742 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -66.4 | -15 | 175 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 103 | Q | 68.2 | Low | 77.3 | Confident | 128 Ų | 128 | 62 Ų | 62 | 60% | 0.598 | 34% | 0.336 | S | S | * | . | trans | -133.1 | 80 | -179.8 | -70.6 | -175.6 | -6.9 | 0 | 0 | 111.4 | C101 Q105 | C101-Q103 PolarHBondContact O-N 2.9Å; Q103-Q105 PolarHBondContact O-N 3.33Å | ||
| 104 | P | 69.4 | Low | 76.9 | Confident | 51 Ų | 51 | 63.4 Ų | 63.4 | 33% | 0.331 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.6 | -25.8 | -175.5 | 24.7 | -34.6 | 0 | 0 | 0 | 113.7 | I98 L107 L108 | I98-P104 HydrophobicContact CG2-CB 4.13Å; P104-L107 PolarHBondContact O-N 3.49Å; P104-L108 WeakPolarHBondContact O-CB 3.29Å; P104-L108 WeakPolarHBondContact O-CD1 3.39Å; P104-L108 PolarHBondContact O-N 3.48Å |
| 105 | Q | 69.9 | Low | 76.4 | Confident | 170 Ų | 170 | 64.2 Ų | 64.2 | 79% | 0.794 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -65.3 | -44.6 | -177.4 | -70.2 | -174.8 | -24.9 | 0 | 0 | 113 | Q103 L107 L108 Q109 | Q103-Q105 PolarHBondContact O-N 3.33Å; Q105-L107 VanDerWaalsContact C-N 3.31Å; Q105-L108 PolarHBondContact O-N 3.48Å; Q105-Q109 PolarHBondContact O-N 2.96Å |
| 106 | Q | 74.1 | Confident | 76.1 | Confident | 127 Ų | 127 | 67.2 Ų | 67.2 | 59% | 0.593 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -68.4 | -36.7 | 179.9 | -168.6 | 168.7 | 7.4 | 0 | 0 | 110.8 | Q109 V110 | Q106-Q109 PolarHBondContact O-N 3.23Å; Q106-V110 PolarHBondContact O-N 2.87Å |
| 107 | L | 74.8 | Confident | 75.8 | Confident | 26 Ų | 26 | 70.8 Ų | 70.8 | 14% | 0.136 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65.5 | -45.5 | 176.7 | -143.7 | 93.4 | 0 | 0 | 0 | 112.8 | F71 I98 P104 Q105 Q109 V110 L111 | F71-L107 HydrophobicContact CE1-CD1 4.11Å; F71-L107 HydrophobicContact CE2-CD1 3.41Å; F71-L107 VanDerWaalsContact CE2-CD1 3.41Å; F71-L107 HydrophobicContact CE2-CD2 3.51Å; F71-L107 HydrophobicContact CE2-CG 3.99Å; F71-L107 HydrophobicContact CZ-CD1 3.1Å; F71-L107 HydrophobicContact CZ-CD2 3.78Å; F71-L107 HydrophobicContact CZ-CG 3.85Å; I98-L107 HydrophobicContact CG1-CD2 3.61Å; P104-L107 PolarHBondContact O-N 3.49Å; Q105-L107 VanDerWaalsContact C-N 3.31Å; L107-Q109 PolarHBondContact O-N 3.38Å; L107-V110 PolarHBondContact O-N 3.44Å; L107-L111 HydrophobicContact CD2-CD1 3.87Å; L107-L111 WeakPolarHBondContact O-CG 3.34Å; L107-L111 PolarHBondContact O-N 2.93Å |
| 108 | L | 76 | Confident | 75.6 | Confident | 38 Ų | 38 | 75 Ų | 75 | 20% | 0.199 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -58 | -38.7 | 178.5 | -93.4 | 157.4 | 0 | 0 | 0 | 111.7 | P104 Q105 L111 Q112 F120 L123 L127 | P104-L108 WeakPolarHBondContact O-CB 3.29Å; P104-L108 WeakPolarHBondContact O-CD1 3.39Å; P104-L108 PolarHBondContact O-N 3.48Å; Q105-L108 PolarHBondContact O-N 3.48Å; L108-L111 PolarHBondContact O-N 3.01Å; L108-Q112 WeakPolarHBondContact O-CB 3.39Å; L108-Q112 PolarHBondContact O-N 3.24Å; L108-F120 HydrophobicContact CD2-CE2 3.81Å; L108-F120 HydrophobicContact CD2-CZ 3.86Å; L108-L123 HydrophobicContact CD2-CD2 4.23Å; L108-L127 HydrophobicContact CD1-CD1 4.14Å; L108-L127 HydrophobicContact CD2-CD1 3.77Å; L108-L127 HydrophobicContact CG-CD1 4.5Å |
| 109 | Q | 77.8 | Confident | 75.3 | Confident | 134 Ų | 134 | 75.1 Ų | 75.1 | 63% | 0.626 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -66.7 | -40.5 | 178.9 | -167.4 | 170.1 | 13.4 | 0 | 0 | 112.1 | Q105 Q106 L107 Q113 | Q105-Q109 PolarHBondContact O-N 2.96Å; Q106-Q109 PolarHBondContact O-N 3.23Å; L107-Q109 PolarHBondContact O-N 3.38Å; Q109-Q113 WeakPolarHBondContact O-CG 3.42Å; Q109-Q113 PolarHBondContact O-N 3.13Å |
| 110 | V | 81.3 | Confident | 75.4 | Confident | 90 Ų | 90 | 74.2 Ų | 74.2 | 55% | 0.545 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -66.5 | -48.2 | 175.1 | 176.6 | 0 | 0 | 0 | 0 | 110.4 | Q106 L107 Q112 Q113 T114 | Q106-V110 PolarHBondContact O-N 2.87Å; L107-V110 PolarHBondContact O-N 3.44Å; V110-Q112 VanDerWaalsContact C-N 3.25Å; V110-Q112 PolarHBondContact O-N 2.94Å; V110-Q113 WeakPolarHBondContact O-CB 3.38Å; V110-Q113 PolarHBondContact O-N 3.48Å; V110-T114 HydrophobicContact CG1-CG2 4.33Å; V110-T114 PolarHBondContact O-N 3.46Å; V110-T114 VanDerWaalsContact O-N 3.1Å; V110-T114 PolarHBondContact O-OG1 3.41Å |
| 111 | L | 76.9 | Confident | 75.5 | Confident | 5 Ų | 5 | 79.6 Ų | 79.6 | 3% | 0.026 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -61.1 | -32.8 | 179.3 | -70.9 | 177 | 0 | 0 | 0 | 112.8 | L94 I98 L107 L108 Q113 T114 L115 | L94-L111 HydrophobicContact CD2-CD2 4.03Å; I98-L111 HydrophobicContact CD1-CD1 4.02Å; I98-L111 HydrophobicContact CG1-CD1 4.31Å; L107-L111 HydrophobicContact CD2-CD1 3.87Å; L107-L111 WeakPolarHBondContact O-CG 3.34Å; L107-L111 PolarHBondContact O-N 2.93Å; L108-L111 PolarHBondContact O-N 3.01Å; L111-Q113 VanDerWaalsContact C-N 3.26Å; L111-Q113 PolarHBondContact O-N 3.27Å; L111-T114 PolarHBondContact O-N 3.09Å; L111-T114 PolarHBondContact O-OG1 3.44Å; L111-L115 HydrophobicContact CB-CD1 4.22Å; L111-L115 HydrophobicContact CD2-CD1 4.15Å; L111-L115 VanDerWaalsContact O-CB 3.24Å; L111-L115 WeakPolarHBondContact O-CB 3.28Å; L111-L115 WeakPolarHBondContact O-CG 3.4Å; L111-L115 PolarHBondContact O-N 3.42Å |
| 112 | Q | 78.6 | Confident | 75.9 | Confident | 109 Ų | 109 | 80.9 Ų | 80.9 | 51% | 0.509 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.4 | -31.3 | 174.4 | -171.9 | -176.9 | 9.7 | 0 | 0 | 112.4 | L108 V110 F120 | L108-Q112 WeakPolarHBondContact O-CB 3.39Å; L108-Q112 PolarHBondContact O-N 3.24Å; V110-Q112 VanDerWaalsContact C-N 3.25Å; V110-Q112 PolarHBondContact O-N 2.94Å; Q112-F120 HydrophobicContact CB-CD2 4.42Å; Q112-F120 HydrophobicContact CB-CE1 4.4Å; Q112-F120 HydrophobicContact CB-CE2 3.9Å; Q112-F120 HydrophobicContact CB-CZ 3.89Å; Q112-F120 HydrophobicContact CG-CE1 4.16Å; Q112-F120 HydrophobicContact CG-CE2 4.49Å; Q112-F120 HydrophobicContact CG-CZ 4.15Å |
| 113 | Q | 79.2 | Confident | 76.3 | Confident | 158 Ų | 158 | 77.5 Ų | 77.5 | 74% | 0.738 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -83.8 | -28.3 | 179.3 | -62.1 | -62.7 | -49.3 | 0 | 0 | 112.3 | Q109 V110 L111 | Q109-Q113 WeakPolarHBondContact O-CG 3.42Å; Q109-Q113 PolarHBondContact O-N 3.13Å; V110-Q113 WeakPolarHBondContact O-CB 3.38Å; V110-Q113 PolarHBondContact O-N 3.48Å; L111-Q113 VanDerWaalsContact C-N 3.26Å; L111-Q113 PolarHBondContact O-N 3.27Å |
| 114 | T | 79.3 | Confident | 76.8 | Confident | 78 Ų | 78 | 75.2 Ų | 75.2 | 48% | 0.479 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -93.7 | -24.8 | -176.4 | 61.3 | 0 | 0 | 0 | 0 | 113.6 | V110 L111 | V110-T114 HydrophobicContact CG1-CG2 4.33Å; V110-T114 PolarHBondContact O-N 3.46Å; V110-T114 VanDerWaalsContact O-N 3.1Å; V110-T114 PolarHBondContact O-OG1 3.41Å; L111-T114 PolarHBondContact O-N 3.09Å; L111-T114 PolarHBondContact O-OG1 3.44Å |
| 115 | L | 74.6 | Confident | 77.3 | Confident | 18 Ų | 18 | 77.3 Ų | 77.3 | 9% | 0.094 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -102.3 | 144 | -174.9 | -60.7 | 179.1 | 0 | 0 | 0 | 113.6 | L82 L94 L111 V119 | L82-L115 HydrophobicContact CD1-CD2 3.73Å; L94-L115 HydrophobicContact CD1-CD1 3.68Å; L111-L115 HydrophobicContact CB-CD1 4.22Å; L111-L115 HydrophobicContact CD2-CD1 4.15Å; L111-L115 VanDerWaalsContact O-CB 3.24Å; L111-L115 WeakPolarHBondContact O-CB 3.28Å; L111-L115 WeakPolarHBondContact O-CG 3.4Å; L111-L115 PolarHBondContact O-N 3.42Å; L115-V119 HydrophobicContact CD1-CG1 4.46Å |
| 116 | P | 75.9 | Confident | 77.4 | Confident | 75 Ų | 75 | 73.6 Ų | 73.6 | 49% | 0.487 | 39% | 0.389 | S | S | . | . | trans | -59.9 | 144.6 | 170.3 | -23.8 | 34.1 | 0 | 0 | 0 | 112.5 | P118 V119 F120 | P116-P118 VanDerWaalsContact O-N 3.16Å; P116-V119 PolarHBondContact O-N 2.81Å; P116-V119 VanDerWaalsContact O-N 3.08Å; P116-F120 PolarHBondContact O-N 2.88Å | ||
| 117 | P | 75.1 | Confident | 77.3 | Confident | 103 Ų | 103 | 69 Ų | 69 | 67% | 0.669 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -51.3 | -39.4 | -177.5 | -25.2 | 31.5 | 0 | 0 | 0 | 116.1 | V119 F120 Q121 | P117-V119 VanDerWaalsContact C-N 3.33Å; P117-V119 PolarHBondContact O-N 2.95Å; P117-F120 PolarHBondContact O-N 3.49Å; P117-Q121 WeakPolarHBondContact O-CB 3.4Å; P117-Q121 PolarHBondContact O-N 3.45Å |
| 118 | P | 78.3 | Confident | 77 | Confident | 88 Ų | 88 | 71.3 Ų | 71.3 | 57% | 0.571 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64 | -35.3 | 179.7 | -22.2 | 33.8 | 0 | 0 | 0 | 113.6 | P116 M122 | P116-P118 VanDerWaalsContact O-N 3.16Å; P118-M122 PolarHBondContact O-N 3.21Å |
| 119 | V | 75.4 | Confident | 76.6 | Confident | 5 Ų | 5 | 73 Ų | 73 | 3% | 0.03 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -74.2 | -44.2 | -179.8 | 179.9 | 0 | 0 | 0 | 0 | 110.2 | L82 F87 V91 L115 P116 P117 Q121 M122 L123 | L82-V119 HydrophobicContact CD1-CG1 3.74Å; L82-V119 HydrophobicContact CD2-CB 4.33Å; L82-V119 HydrophobicContact CD2-CG1 3.36Å; L82-V119 HydrophobicContact CD2-CG2 3.99Å; L82-V119 HydrophobicContact CG-CG1 4.21Å; F87-V119 HydrophobicContact CD1-CG2 3.68Å; F87-V119 HydrophobicContact CE1-CG2 3.86Å; V91-V119 HydrophobicContact CG2-CG1 3.95Å; L115-V119 HydrophobicContact CD1-CG1 4.46Å; P116-V119 PolarHBondContact O-N 2.81Å; P116-V119 VanDerWaalsContact O-N 3.08Å; P117-V119 VanDerWaalsContact C-N 3.33Å; P117-V119 PolarHBondContact O-N 2.95Å; V119-Q121 VanDerWaalsContact C-N 3.28Å; V119-Q121 PolarHBondContact O-N 2.99Å; V119-M122 WeakPolarHBondContact O-CB 3.31Å; V119-M122 PolarHBondContact O-N 3.01Å; V119-M122 VanDerWaalsContact O-N 3.15Å; V119-L123 PolarHBondContact O-N 3.29Å |
| 120 | F | 79.5 | Confident | 76 | Confident | 29 Ų | 29 | 67.3 Ų | 67.3 | 13% | 0.127 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.5 | -39.6 | 177 | -171.6 | -105.5 | 0 | 0 | 0 | 111.7 | L108 Q112 P116 P117 M122 L123 L124 | L108-F120 HydrophobicContact CD2-CE2 3.81Å; L108-F120 HydrophobicContact CD2-CZ 3.86Å; Q112-F120 HydrophobicContact CB-CD2 4.42Å; Q112-F120 HydrophobicContact CB-CE1 4.4Å; Q112-F120 HydrophobicContact CB-CE2 3.9Å; Q112-F120 HydrophobicContact CB-CZ 3.89Å; Q112-F120 HydrophobicContact CG-CE1 4.16Å; Q112-F120 HydrophobicContact CG-CE2 4.49Å; Q112-F120 HydrophobicContact CG-CZ 4.15Å; P116-F120 PolarHBondContact O-N 2.88Å; P117-F120 PolarHBondContact O-N 3.49Å; F120-M122 VanDerWaalsContact C-N 3.33Å; F120-M122 PolarHBondContact O-N 2.95Å; F120-L123 WeakPolarHBondContact O-CB 3.45Å; F120-L123 PolarHBondContact O-N 2.92Å; F120-L124 HydrophobicContact CD1-CD1 3.8Å; F120-L124 HydrophobicContact CD1-CG 4.2Å; F120-L124 HydrophobicContact CE1-CD1 3.66Å; F120-L124 HydrophobicContact CE1-CD2 4.19Å; F120-L124 HydrophobicContact CE1-CG 4.01Å; F120-L124 HydrophobicContact CZ-CD2 4.34Å; F120-L124 HydrophobicContact CZ-CG 4.49Å; F120-L124 WeakPolarHBondContact O-CG 3.43Å; F120-L124 PolarHBondContact O-N 3.37Å |
| 121 | Q | 80.2 | Confident | 75 | Confident | 134 Ų | 134 | 66 Ų | 66 | 63% | 0.626 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -64 | -38.9 | 176.4 | -162 | 173.9 | 14.8 | 0 | 0 | 112.2 | P117 V119 L123 L124 T125 | P117-Q121 WeakPolarHBondContact O-CB 3.4Å; P117-Q121 PolarHBondContact O-N 3.45Å; V119-Q121 VanDerWaalsContact C-N 3.28Å; V119-Q121 PolarHBondContact O-N 2.99Å; Q121-L123 VanDerWaalsContact C-N 3.34Å; Q121-L124 WeakPolarHBondContact O-CB 3.29Å; Q121-L124 PolarHBondContact O-N 3.31Å; Q121-T125 WeakPolarHBondContact O-CG2 3.38Å; Q121-T125 PolarHBondContact O-N 3Å; Q121-T125 VanDerWaalsContact O-N 3.17Å |
| 122 | M | 79.3 | Confident | 74.2 | Confident | 61 Ų | 61 | 72.5 Ų | 72.5 | 30% | 0.3 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.2 | -40.8 | 175.3 | -155.3 | -178.5 | -40.3 | 0 | 0 | 111.3 | F87 V91 P118 V119 F120 L124 T125 K126 | F87-M122 HydrophobicContact CB-CE 3.8Å; F87-M122 HydrophobicContact CB-SD 4.3Å; V91-M122 HydrophobicContact CG2-CB 4.25Å; V91-M122 HydrophobicContact CG2-CG 4.48Å; V91-M122 HydrophobicContact CG2-SD 4.29Å; P118-M122 PolarHBondContact O-N 3.21Å; V119-M122 WeakPolarHBondContact O-CB 3.31Å; V119-M122 PolarHBondContact O-N 3.01Å; V119-M122 VanDerWaalsContact O-N 3.15Å; F120-M122 VanDerWaalsContact C-N 3.33Å; F120-M122 PolarHBondContact O-N 2.95Å; M122-L124 PolarHBondContact O-N 3.21Å; M122-T125 PolarHBondContact O-N 3.25Å; M122-T125 PolarHBondContact O-OG1 3.35Å; M122-K126 PolarHBondContact O-N 3.46Å |
| 123 | L | 79.2 | Confident | 73.3 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 173.2 | -172.2 | 149.6 | 0 | 0 | 0 | 111.8 | V91 L94 I98 L108 V119 F120 Q121 T125 K126 L127 | V91-L123 HydrophobicContact CG1-CB 4.02Å; V91-L123 HydrophobicContact CG1-CG 4.47Å; L94-L123 HydrophobicContact CB-CD1 3.71Å; L94-L123 HydrophobicContact CD1-CD1 4.06Å; I98-L123 HydrophobicContact CD1-CD1 4.07Å; I98-L123 HydrophobicContact CD1-CD2 3.87Å; I98-L123 HydrophobicContact CD1-CG 4.34Å; L108-L123 HydrophobicContact CD2-CD2 4.23Å; V119-L123 PolarHBondContact O-N 3.29Å; F120-L123 WeakPolarHBondContact O-CB 3.45Å; F120-L123 PolarHBondContact O-N 2.92Å; Q121-L123 VanDerWaalsContact C-N 3.34Å; L123-T125 VanDerWaalsContact C-N 3.26Å; L123-T125 PolarHBondContact O-N 3Å; L123-K126 PolarHBondContact O-N 2.96Å; L123-L127 HydrophobicContact CD2-CD1 3.81Å; L123-L127 HydrophobicContact CD2-CD2 4.39Å; L123-L127 HydrophobicContact CD2-CG 3.88Å; L123-L127 PolarHBondContact O-N 3.5Å |
| 124 | L | 78.2 | Confident | 72.4 | Confident | 81 Ų | 81 | 67.7 Ų | 67.7 | 42% | 0.424 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.4 | -32.4 | 175.6 | -70.4 | 171 | 0 | 0 | 0 | 113 | F120 Q121 M122 K126 L127 P128 | F120-L124 HydrophobicContact CD1-CD1 3.8Å; F120-L124 HydrophobicContact CD1-CG 4.2Å; F120-L124 HydrophobicContact CE1-CD1 3.66Å; F120-L124 HydrophobicContact CE1-CD2 4.19Å; F120-L124 HydrophobicContact CE1-CG 4.01Å; F120-L124 HydrophobicContact CZ-CD2 4.34Å; F120-L124 HydrophobicContact CZ-CG 4.49Å; F120-L124 WeakPolarHBondContact O-CG 3.43Å; F120-L124 PolarHBondContact O-N 3.37Å; Q121-L124 WeakPolarHBondContact O-CB 3.29Å; Q121-L124 PolarHBondContact O-N 3.31Å; M122-L124 PolarHBondContact O-N 3.21Å; L124-K126 VanDerWaalsContact C-N 3.29Å; L124-K126 PolarHBondContact O-N 3.43Å; L124-L127 HydrophobicContact CD2-CD1 3.74Å; L124-P128 WeakPolarHBondContact O-CD 3.34Å |
| 125 | T | 80.3 | Confident | 71.4 | Confident | 94 Ų | 94 | 68.9 Ų | 68.9 | 58% | 0.577 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -69.6 | -27.3 | 175.3 | 68.1 | 0 | 0 | 0 | 0 | 113.1 | Q121 M122 L123 | Q121-T125 WeakPolarHBondContact O-CG2 3.38Å; Q121-T125 PolarHBondContact O-N 3Å; Q121-T125 VanDerWaalsContact O-N 3.17Å; M122-T125 PolarHBondContact O-N 3.25Å; M122-T125 PolarHBondContact O-OG1 3.35Å; L123-T125 VanDerWaalsContact C-N 3.26Å; L123-T125 PolarHBondContact O-N 3Å |
| 126 | K | 72.1 | Confident | 70.6 | Confident | 93 Ų | 93 | 71.2 Ų | 71.2 | 40% | 0.404 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -86.6 | -32.6 | 179.9 | -63 | -76.2 | -175.9 | 144.7 | 0 | 112 | V91 D92 M122 L123 L124 T129 I130 | V91-K126 HydrophobicContact CG1-CG 4.22Å; D92-K126 IonicContact OD1-NZ 3.97Å; M122-K126 PolarHBondContact O-N 3.46Å; L123-K126 PolarHBondContact O-N 2.96Å; L124-K126 VanDerWaalsContact C-N 3.29Å; L124-K126 PolarHBondContact O-N 3.43Å; K126-T129 WeakPolarHBondContact O-CB 3.42Å; K126-T129 PolarHBondContact O-N 3.05Å; K126-T129 VanDerWaalsContact O-N 3.1Å; K126-I130 HydrophobicContact CB-CD1 4.24Å; K126-I130 VanDerWaalsContact O-CD1 3.27Å; K126-I130 WeakPolarHBondContact O-CD1 3.39Å; K126-I130 PolarHBondContact O-N 3.01Å |
| 127 | L | 71.3 | Confident | 69.4 | Low | 29 Ų | 29 | 71 Ų | 71 | 15% | 0.152 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -44.9 | -49.2 | 178.8 | -86.4 | 178.3 | 0 | 0 | 0 | 116.7 | I98 L108 L123 L124 T129 I130 S131 | I98-L127 HydrophobicContact CD1-CD2 4.29Å; I98-L127 HydrophobicContact CG2-CD2 4.14Å; L108-L127 HydrophobicContact CD1-CD1 4.14Å; L108-L127 HydrophobicContact CD2-CD1 3.77Å; L108-L127 HydrophobicContact CG-CD1 4.5Å; L123-L127 HydrophobicContact CD2-CD1 3.81Å; L123-L127 HydrophobicContact CD2-CD2 4.39Å; L123-L127 HydrophobicContact CD2-CG 3.88Å; L123-L127 PolarHBondContact O-N 3.5Å; L124-L127 HydrophobicContact CD2-CD1 3.74Å; L127-T129 PolarHBondContact O-N 3.39Å; L127-I130 CarbonylContact O-C 3.57Å; L127-I130 PolarHBondContact O-N 2.9Å; L127-S131 PolarHBondContact O-N 2.71Å |
| 128 | P | 69.1 | Low | 68.2 | Low | 76 Ų | 76 | 71.1 Ų | 71.1 | 49% | 0.494 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.3 | -30.5 | -178.1 | 20 | -30.5 | 0 | 0 | 0 | 113 | L124 I130 Q132 | L124-P128 WeakPolarHBondContact O-CD 3.34Å; P128-I130 VanDerWaalsContact C-N 3.29Å; P128-I130 PolarHBondContact O-N 2.99Å; P128-Q132 WeakPolarHBondContact O-CG 3.37Å; P128-Q132 PolarHBondContact O-N 2.94Å |
| 129 | T | 66.4 | Low | 66.9 | Low | 74 Ų | 74 | 69.5 Ų | 69.5 | 45% | 0.454 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -68.3 | -32.1 | 174.9 | -50 | 0 | 0 | 0 | 0 | 111.4 | K126 L127 R133 | K126-T129 WeakPolarHBondContact O-CB 3.42Å; K126-T129 PolarHBondContact O-N 3.05Å; K126-T129 VanDerWaalsContact O-N 3.1Å; L127-T129 PolarHBondContact O-N 3.39Å; T129-R133 WeakPolarHBondContact O-CG 3.37Å |
| 130 | I | 65.2 | Low | 65.4 | Low | 13 Ų | 13 | 76 Ų | 76 | 7% | 0.067 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -84.1 | -40.9 | 179.9 | -57.8 | 134.7 | 0 | 0 | 0 | 110.6 | T95 A99 K126 L127 P128 Q132 R133 I134 | T95-I130 HydrophobicContact CG2-CD1 3.11Å; T95-I130 HydrophobicContact CG2-CG1 3.56Å; A99-I130 HydrophobicContact CB-CG2 4.08Å; K126-I130 HydrophobicContact CB-CD1 4.24Å; K126-I130 VanDerWaalsContact O-CD1 3.27Å; K126-I130 WeakPolarHBondContact O-CD1 3.39Å; K126-I130 PolarHBondContact O-N 3.01Å; L127-I130 CarbonylContact O-C 3.57Å; L127-I130 PolarHBondContact O-N 2.9Å; P128-I130 VanDerWaalsContact C-N 3.29Å; P128-I130 PolarHBondContact O-N 2.99Å; I130-Q132 VanDerWaalsContact C-N 3.28Å; I130-Q132 PolarHBondContact O-N 2.95Å; I130-R133 CarbonylContact O-C 3.49Å; I130-R133 WeakPolarHBondContact O-CA 3.37Å; I130-R133 WeakPolarHBondContact O-CB 3.46Å; I130-R133 PolarHBondContact O-N 3.16Å; I130-I134 HydrophobicContact CG2-CD1 3.76Å; I130-I134 HydrophobicContact CG2-CG1 3.99Å; I130-I134 WeakPolarHBondContact O-CG1 3.29Å; I130-I134 PolarHBondContact O-N 2.96Å |
| 131 | S | 60.3 | Low | 63.9 | Low | 62 Ų | 62 | 78.3 Ų | 78.3 | 43% | 0.434 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -56.1 | -43.6 | 175.7 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | L127 R133 I134 I135 | L127-S131 PolarHBondContact O-N 2.71Å; S131-R133 VanDerWaalsContact C-N 3.3Å; S131-R133 PolarHBondContact O-N 2.98Å; S131-I134 PolarHBondContact O-N 3.21Å; S131-I135 WeakPolarHBondContact O-CB 3.32Å; S131-I135 WeakPolarHBondContact O-CD1 3.28Å; S131-I135 WeakPolarHBondContact O-CG1 3.33Å; S131-I135 PolarHBondContact O-N 2.78Å |
| 132 | Q | 60.9 | Low | 62.2 | Low | 143 Ų | 143 | 79.3 Ų | 79.3 | 67% | 0.668 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -60.9 | -37.7 | 172.7 | -72.6 | -179 | -7.4 | 0 | 0 | 112.8 | P128 I130 S136 | P128-Q132 WeakPolarHBondContact O-CG 3.37Å; P128-Q132 PolarHBondContact O-N 2.94Å; I130-Q132 VanDerWaalsContact C-N 3.28Å; I130-Q132 PolarHBondContact O-N 2.95Å; Q132-S136 WeakPolarHBondContact O-CB 3.5Å; Q132-S136 PolarHBondContact O-N 3.06Å; Q132-S136 PolarHBondContact O-OG 2.98Å |
| 133 | R | 59.1 | Low | 60.4 | Low | 127 Ų | 127 | 83.6 Ų | 83.6 | 48% | 0.479 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -70.4 | -44 | 176.3 | -75 | 179.6 | -176.1 | 166.4 | 2.7 | 112.6 | T129 I130 S131 I135 S136 S137 | T129-R133 WeakPolarHBondContact O-CG 3.37Å; I130-R133 CarbonylContact O-C 3.49Å; I130-R133 WeakPolarHBondContact O-CA 3.37Å; I130-R133 WeakPolarHBondContact O-CB 3.46Å; I130-R133 PolarHBondContact O-N 3.16Å; S131-R133 VanDerWaalsContact C-N 3.3Å; S131-R133 PolarHBondContact O-N 2.98Å; R133-I135 VanDerWaalsContact C-N 3.33Å; R133-I135 PolarHBondContact O-N 3.4Å; R133-S136 WeakPolarHBondContact CA-OG 3.31Å; R133-S136 CarbonylContact O-C 3.56Å; R133-S136 PolarHBondContact O-N 3.49Å; R133-S136 VanDerWaalsContact O-N 3.13Å; R133-S136 PolarHBondContact O-OG 3.15Å; R133-S137 PolarHBondContact O-N 3.01Å; R133-S137 PolarHBondContact O-OG 3.32Å |
| 134 | I | 60.2 | Low | 58.7 | Low | 38 Ų | 38 | 91 Ų | 91 | 20% | 0.195 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -59.3 | -47.4 | 177.6 | -66.8 | 170.4 | 0 | 0 | 0 | 109.5 | I130 S131 S136 S137 Q138 | I130-I134 HydrophobicContact CG2-CD1 3.76Å; I130-I134 HydrophobicContact CG2-CG1 3.99Å; I130-I134 WeakPolarHBondContact O-CG1 3.29Å; I130-I134 PolarHBondContact O-N 2.96Å; S131-I134 PolarHBondContact O-N 3.21Å; I134-S136 VanDerWaalsContact C-N 3.31Å; I134-S136 PolarHBondContact O-N 3.1Å; I134-S137 VanDerWaalsContact CA-OG 3.3Å; I134-S137 WeakPolarHBondContact CA-OG 3.46Å; I134-S137 PolarHBondContact O-N 2.96Å; I134-S137 PolarHBondContact O-OG 3.09Å; I134-Q138 HydrophobicContact CG2-CG 4.42Å; I134-Q138 WeakPolarHBondContact O-CB 3.36Å; I134-Q138 PolarHBondContact O-N 3Å |
| 135 | I | 59 | Low | 57.1 | Low | 104 Ų | 104 | 93.4 Ų | 93.4 | 53% | 0.533 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60 | -43 | 176.1 | -65.6 | 164.5 | 0 | 0 | 0 | 110.3 | S131 R133 Q138 A139 | S131-I135 WeakPolarHBondContact O-CB 3.32Å; S131-I135 WeakPolarHBondContact O-CD1 3.28Å; S131-I135 WeakPolarHBondContact O-CG1 3.33Å; S131-I135 PolarHBondContact O-N 2.78Å; R133-I135 VanDerWaalsContact C-N 3.33Å; R133-I135 PolarHBondContact O-N 3.4Å; I135-Q138 PolarHBondContact O-N 3.29Å; I135-A139 VanDerWaalsContact O-CB 3.31Å; I135-A139 WeakPolarHBondContact O-CB 3.42Å; I135-A139 PolarHBondContact O-N 3.43Å |
| 136 | S | 56.9 | Low | 55.1 | Low | 66 Ų | 66 | 101.6 Ų | 101.6 | 46% | 0.462 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.9 | -33.3 | 177.3 | 72 | 0 | 0 | 0 | 0 | 114.1 | Q132 R133 I134 | Q132-S136 WeakPolarHBondContact O-CB 3.5Å; Q132-S136 PolarHBondContact O-N 3.06Å; Q132-S136 PolarHBondContact O-OG 2.98Å; R133-S136 WeakPolarHBondContact CA-OG 3.31Å; R133-S136 CarbonylContact O-C 3.56Å; R133-S136 PolarHBondContact O-N 3.49Å; R133-S136 VanDerWaalsContact O-N 3.13Å; R133-S136 PolarHBondContact O-OG 3.15Å; I134-S136 VanDerWaalsContact C-N 3.31Å; I134-S136 PolarHBondContact O-N 3.1Å |
| 137 | S | 52.2 | Low | 54.2 | Low | 71 Ų | 71 | 102 Ų | 102 | 50% | 0.497 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -78.4 | -32.7 | 176.6 | 49.8 | 0 | 0 | 0 | 0 | 112.7 | R133 I134 L140 | R133-S137 PolarHBondContact O-N 3.01Å; R133-S137 PolarHBondContact O-OG 3.32Å; I134-S137 VanDerWaalsContact CA-OG 3.3Å; I134-S137 WeakPolarHBondContact CA-OG 3.46Å; I134-S137 PolarHBondContact O-N 2.96Å; I134-S137 PolarHBondContact O-OG 3.09Å; S137-L140 PolarHBondContact O-N 3.33Å |
| 138 | Q | 50 | Low | 53.3 | Low | 105 Ų | 105 | 105.8 Ų | 105.8 | 49% | 0.491 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -71.3 | -38.9 | 173.6 | -82.2 | -179.8 | -37.4 | 0 | 0 | 111.5 | I134 I135 L140 S141 | I134-Q138 HydrophobicContact CG2-CG 4.42Å; I134-Q138 WeakPolarHBondContact O-CB 3.36Å; I134-Q138 PolarHBondContact O-N 3Å; I135-Q138 PolarHBondContact O-N 3.29Å; Q138-L140 PolarHBondContact O-N 2.98Å; Q138-S141 PolarHBondContact O-N 3.06Å; Q138-S141 PolarHBondContact O-OG 3.47Å |
| 139 | A | 49.4 | Very low | 52.5 | Low | 54 Ų | 54 | 107.5 Ų | 107.5 | 45% | 0.446 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -60.2 | -27.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I135 | I135-A139 VanDerWaalsContact O-CB 3.31Å; I135-A139 WeakPolarHBondContact O-CB 3.42Å; I135-A139 PolarHBondContact O-N 3.43Å |
| 140 | L | 45.7 | Very low | 51.6 | Low | 141 Ų | 141 | 109.5 Ų | 109.5 | 74% | 0.738 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -14.2 | 175.2 | -82.7 | 164.4 | 0 | 0 | 0 | 114 | S137 Q138 | S137-L140 PolarHBondContact O-N 3.33Å; Q138-L140 PolarHBondContact O-N 2.98Å |
| 141 | S | 47.2 | Very low | 50.8 | Low | 79 Ų | 79 | 115.5 Ų | 115.5 | 55% | 0.552 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | -9.9 | 179.5 | 53.5 | 0 | 0 | 0 | 0 | 114.3 | Q138 | Q138-S141 PolarHBondContact O-N 3.06Å; Q138-S141 PolarHBondContact O-OG 3.47Å |
| 142 | E | 45.4 | Very low | 50.2 | Low | 155 Ų | 155 | 119.1 Ų | 119.1 | 72% | 0.724 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -91.6 | -15.9 | -179.4 | -68.9 | -175.4 | 133.5 | 0 | 0 | 113.7 | ||
| 143 | D | 41.4 | Very low | 49.4 | Very low | 151 Ų | 151 | 117.4 Ų | 117.4 | 81% | 0.807 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | 1.1 | -178.4 | -86.8 | -29.3 | 0 | 0 | 0 | 115 | ||
| 144 | D | 41.7 | Very low | 48.6 | Very low | 154 Ų | 154 | 116.6 Ų | 116.6 | 82% | 0.824 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | 18.6 | 178.4 | -118.3 | -51.6 | 0 | 0 | 0 | 112.8 | ||
| 145 | V | 46 | Very low | 47.7 | Very low | 132 Ų | 132 | 123.2 Ų | 123.2 | 80% | 0.8 | 68% | 0.676 | S | S | * | * | trans | -132.2 | 63.6 | 173.1 | -166.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 146 | E | 37.3 | Very low | 46.6 | Very low | 266 Ų | 266 | 124.9 Ų | 124.9 | 100% | 1.243 | 69% | 0.689 | S | S | * | * | trans | -140.9 | 0 | 153.9 | -147.4 | 177 | -173.6 | 0 | 0 | 111.5 |
Retrieved 146 of 146 residues in 38.5 ms
(Link to these results)