| 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 | 38.1 | Very low | 41.8 | Very low | 248 Ų | 248 | 137.5 Ų | 137.5 | 100% | 1.222 | 75% | 0.75 | S | S | * | * | 0 | 137.1 | 0 | -85.9 | -176.8 | 166.5 | 0 | 0 | 107.7 | |||||
| 2 | N | 39.4 | Very low | 42.5 | Very low | 143 Ų | 143 | 138.3 Ų | 138.3 | 77% | 0.765 | 75% | 0.745 | S | S | * | * | trans | -36.5 | 142.6 | -177.2 | -66.3 | -14.3 | 0 | 0 | 0 | 115.8 | ||||
| 3 | N | 38.3 | Very low | 43.6 | Very low | 155 Ų | 155 | 135.2 Ų | 135.2 | 83% | 0.829 | 73% | 0.726 | S | S | * | * | -151.8 | 86.8 | 128.8 | -89 | -17 | 0 | 0 | 0 | 105.5 | |||||
| 4 | Q | 40.1 | Very low | 45.3 | Very low | 152 Ų | 152 | 133 Ų | 133 | 71% | 0.71 | 71% | 0.714 | S | S | * | * | 54.7 | 82.7 | 110.5 | -75.4 | -176.1 | -16 | 0 | 0 | 112.3 | E6 | Q4-E6 VanDerWaalsContact C-N 3.29Å; Q4-E6 PolarHBondContact O-N 3.19Å | |||
| 5 | T | 39.2 | Very low | 47.5 | Very low | 144 Ų | 144 | 130.7 Ų | 130.7 | 88% | 0.883 | 70% | 0.702 | S | S | * | * | trans | -68.2 | 92.3 | 146.8 | 43.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 6 | E | 38.6 | Very low | 49.8 | Very low | 162 Ų | 162 | 126 Ų | 126 | 76% | 0.757 | 68% | 0.679 | S | S | * | * | trans | -69.8 | 138 | 159.9 | -75 | -171.9 | 157.9 | 0 | 0 | 108.6 | Q4 | Q4-E6 VanDerWaalsContact C-N 3.29Å; Q4-E6 PolarHBondContact O-N 3.19Å | ||
| 7 | P | 44.8 | Very low | 52.1 | Low | 89 Ų | 89 | 122.4 Ų | 122.4 | 58% | 0.578 | 66% | 0.662 | S | S | * | * | trans | -79.9 | 136.5 | -166.7 | 30.4 | -32.1 | 0 | 0 | 0 | 111.8 | E9 | P7-E9 HydrophobicContact CB-CB 4.46Å; P7-E9 HydrophobicContact CB-CG 4.42Å; P7-E9 PolarHBondContact O-N 3.34Å | ||
| 8 | C | 39.3 | Very low | 54.2 | Low | 115 Ų | 115 | 118.4 Ų | 118.4 | 78% | 0.777 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | 4.7 | 169.7 | -77.5 | 0 | 0 | 0 | 0 | 114.9 | S10 | C8-S10 VanDerWaalsContact C-N 3.3Å; C8-S10 PolarHBondContact O-N 3.31Å |
| 9 | E | 43.8 | Very low | 56.1 | Low | 136 Ų | 136 | 114.3 Ų | 114.3 | 64% | 0.636 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -68.7 | -24.9 | -179.6 | -72.4 | -179 | 162.8 | 0 | 0 | 113.1 | P7 V11 I13 | P7-E9 HydrophobicContact CB-CB 4.46Å; P7-E9 HydrophobicContact CB-CG 4.42Å; P7-E9 PolarHBondContact O-N 3.34Å; E9-V11 VanDerWaalsContact C-N 3.35Å; E9-V11 PolarHBondContact O-N 3.4Å; E9-I13 HydrophobicContact CB-CD1 4.36Å; E9-I13 VanDerWaalsContact O-CD1 3.3Å; E9-I13 WeakPolarHBondContact O-CD1 3.3Å; E9-I13 WeakPolarHBondContact O-CG1 3.18Å; E9-I13 PolarHBondContact O-N 2.9Å |
| 10 | S | 47.5 | Very low | 57.9 | Low | 76 Ų | 76 | 114.1 Ų | 114.1 | 53% | 0.531 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -72.4 | -23.8 | -176.4 | 61.3 | 0 | 0 | 0 | 0 | 114.4 | C8 N14 | C8-S10 VanDerWaalsContact C-N 3.3Å; C8-S10 PolarHBondContact O-N 3.31Å; S10-N14 PolarHBondContact O-N 3.43Å; S10-N14 PolarHBondContact O-ND2 3.39Å |
| 11 | V | 50.6 | Low | 59.5 | Low | 92 Ų | 92 | 112.9 Ų | 112.9 | 56% | 0.558 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -80 | -46.4 | -177.4 | -175.6 | 0 | 0 | 0 | 0 | 110.8 | E9 I13 N14 D15 | E9-V11 VanDerWaalsContact C-N 3.35Å; E9-V11 PolarHBondContact O-N 3.4Å; V11-I13 PolarHBondContact O-N 3.48Å; V11-N14 PolarHBondContact O-N 3.18Å; V11-D15 PolarHBondContact O-N 3.37Å |
| 12 | E | 50.1 | Low | 62.2 | Low | 148 Ų | 148 | 104 Ų | 104 | 69% | 0.692 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -68 | -35.6 | 178.4 | -69.2 | -175.9 | 172.7 | 0 | 0 | 112.9 | D15 T16 | E12-D15 PolarHBondContact O-N 3.45Å; E12-T16 WeakPolarHBondContact O-CG2 3.31Å; E12-T16 PolarHBondContact O-N 3.08Å; E12-T16 VanDerWaalsContact O-N 3.08Å; E12-T16 PolarHBondContact O-OG1 3.37Å |
| 13 | I | 57.5 | Low | 64.8 | Low | 98 Ų | 98 | 98 Ų | 98 | 50% | 0.503 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.7 | -41.6 | 176.9 | -65.4 | 169.2 | 0 | 0 | 0 | 110.6 | E9 V11 T16 T17 | E9-I13 HydrophobicContact CB-CD1 4.36Å; E9-I13 VanDerWaalsContact O-CD1 3.3Å; E9-I13 WeakPolarHBondContact O-CD1 3.3Å; E9-I13 WeakPolarHBondContact O-CG1 3.18Å; E9-I13 PolarHBondContact O-N 2.9Å; V11-I13 PolarHBondContact O-N 3.48Å; I13-T16 PolarHBondContact O-N 3.49Å; I13-T16 PolarHBondContact O-OG1 2.82Å; I13-T17 WeakPolarHBondContact O-CG2 3.49Å; I13-T17 PolarHBondContact O-N 3.08Å; I13-T17 VanDerWaalsContact O-N 3.08Å; I13-T17 PolarHBondContact O-OG1 3.47Å |
| 14 | N | 66.4 | Low | 67.4 | Low | 104 Ų | 104 | 97.2 Ų | 97.2 | 56% | 0.556 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.2 | -44.1 | 178.1 | -80.6 | -16.5 | 0 | 0 | 0 | 111.7 | S10 V11 T16 T17 A18 | S10-N14 PolarHBondContact O-N 3.43Å; S10-N14 PolarHBondContact O-ND2 3.39Å; V11-N14 PolarHBondContact O-N 3.18Å; N14-T16 PolarHBondContact O-N 3.16Å; N14-T17 PolarHBondContact O-N 3.26Å; N14-T17 PolarHBondContact O-OG1 3.04Å; N14-A18 PolarHBondContact O-N 3.45Å |
| 15 | D | 79.2 | Confident | 70 | Confident | 99 Ų | 99 | 95.3 Ų | 95.3 | 53% | 0.529 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.6 | -41.7 | 179.5 | -72.6 | -15.4 | 0 | 0 | 0 | 112.2 | V11 E12 T17 A18 L19 | V11-D15 PolarHBondContact O-N 3.37Å; E12-D15 PolarHBondContact O-N 3.45Å; D15-T17 PolarHBondContact O-N 3.48Å; D15-A18 PolarHBondContact O-N 2.96Å; D15-L19 WeakPolarHBondContact O-CB 3.35Å; D15-L19 VanDerWaalsContact O-CG 3.31Å; D15-L19 WeakPolarHBondContact O-CG 3.37Å; D15-L19 PolarHBondContact O-N 2.95Å |
| 16 | T | 84.4 | Confident | 72.7 | Confident | 55 Ų | 55 | 88.7 Ų | 88.7 | 34% | 0.337 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.9 | -35.6 | 176.7 | 57.2 | 0 | 0 | 0 | 0 | 112.7 | E12 I13 N14 K20 | E12-T16 WeakPolarHBondContact O-CG2 3.31Å; E12-T16 PolarHBondContact O-N 3.08Å; E12-T16 VanDerWaalsContact O-N 3.08Å; E12-T16 PolarHBondContact O-OG1 3.37Å; I13-T16 PolarHBondContact O-N 3.49Å; I13-T16 PolarHBondContact O-OG1 2.82Å; N14-T16 PolarHBondContact O-N 3.16Å; T16-K20 VanDerWaalsContact O-CG 3.29Å; T16-K20 WeakPolarHBondContact O-CG 3.29Å; T16-K20 PolarHBondContact O-N 3Å |
| 17 | T | 87.8 | Confident | 75.3 | Confident | 65 Ų | 65 | 82.8 Ų | 82.8 | 40% | 0.399 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -68.5 | -39.6 | 174.5 | 63 | 0 | 0 | 0 | 0 | 112.7 | I13 N14 D15 K20 N21 | I13-T17 WeakPolarHBondContact O-CG2 3.49Å; I13-T17 PolarHBondContact O-N 3.08Å; I13-T17 VanDerWaalsContact O-N 3.08Å; I13-T17 PolarHBondContact O-OG1 3.47Å; N14-T17 PolarHBondContact O-N 3.26Å; N14-T17 PolarHBondContact O-OG1 3.04Å; D15-T17 PolarHBondContact O-N 3.48Å; T17-K20 PolarHBondContact O-N 3.31Å; T17-N21 PolarHBondContact O-N 3.31Å; T17-N21 VanDerWaalsContact O-N 3.1Å |
| 18 | A | 89.8 | Confident | 77.7 | Confident | 51 Ų | 51 | 83.2 Ų | 83.2 | 42% | 0.421 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62 | -47 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | N14 D15 K20 N21 T22 | N14-A18 PolarHBondContact O-N 3.45Å; D15-A18 PolarHBondContact O-N 2.96Å; A18-K20 VanDerWaalsContact C-N 3.33Å; A18-K20 PolarHBondContact O-N 3Å; A18-N21 PolarHBondContact O-N 2.97Å; A18-N21 VanDerWaalsContact O-N 3.12Å; A18-T22 PolarHBondContact O-N 3.41Å; A18-T22 PolarHBondContact O-OG1 3.05Å; A18-T22 VanDerWaalsContact O-OG1 3.13Å |
| 19 | L | 90.9 | Very high | 80.3 | Confident | 40 Ų | 40 | 81.9 Ų | 81.9 | 21% | 0.209 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -58.8 | -41.6 | 175.5 | -72.8 | 170.8 | 0 | 0 | 0 | 112.3 | D15 N21 T22 V23 C46 K49 I50 | D15-L19 WeakPolarHBondContact O-CB 3.35Å; D15-L19 VanDerWaalsContact O-CG 3.31Å; D15-L19 WeakPolarHBondContact O-CG 3.37Å; D15-L19 PolarHBondContact O-N 2.95Å; L19-N21 VanDerWaalsContact C-N 3.31Å; L19-N21 PolarHBondContact O-N 2.68Å; L19-T22 PolarHBondContact O-N 3.12Å; L19-V23 WeakPolarHBondContact O-CG2 3.33Å; L19-V23 PolarHBondContact O-N 3.35Å; L19-C46 HydrophobicContact CD2-CB 4.45Å; L19-K49 HydrophobicContact CD1-CB 4.11Å; L19-I50 HydrophobicContact CB-CD1 3.92Å; L19-I50 HydrophobicContact CB-CG1 3.86Å; L19-I50 HydrophobicContact CD1-CG1 4.27Å |
| 20 | K | 91.6 | Very high | 82.7 | Confident | 110 Ų | 110 | 76.3 Ų | 76.3 | 48% | 0.478 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.1 | -34.8 | 176.1 | -76.7 | 172.9 | -178.2 | 174.9 | 0 | 112.9 | T16 T17 A18 K24 I50 | T16-K20 VanDerWaalsContact O-CG 3.29Å; T16-K20 WeakPolarHBondContact O-CG 3.29Å; T16-K20 PolarHBondContact O-N 3Å; T17-K20 PolarHBondContact O-N 3.31Å; A18-K20 VanDerWaalsContact C-N 3.33Å; A18-K20 PolarHBondContact O-N 3Å; K20-K24 WeakPolarHBondContact O-CG 3.35Å; K20-K24 PolarHBondContact O-N 3.38Å; K20-I50 HydrophobicContact CG-CD1 4.14Å |
| 21 | N | 92.1 | Very high | 84.9 | Confident | 89 Ų | 89 | 80 Ų | 80 | 48% | 0.476 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -69.9 | -44.6 | 174.4 | -69.9 | -23.9 | 0 | 0 | 0 | 110.9 | T17 A18 L19 V23 K24 D25 | T17-N21 PolarHBondContact O-N 3.31Å; T17-N21 VanDerWaalsContact O-N 3.1Å; A18-N21 PolarHBondContact O-N 2.97Å; A18-N21 VanDerWaalsContact O-N 3.12Å; L19-N21 VanDerWaalsContact C-N 3.31Å; L19-N21 PolarHBondContact O-N 2.68Å; N21-V23 VanDerWaalsContact C-N 3.29Å; N21-V23 PolarHBondContact O-N 3.28Å; N21-K24 WeakPolarHBondContact O-CB 3.35Å; N21-K24 PolarHBondContact O-N 2.99Å; N21-K24 VanDerWaalsContact O-N 3.08Å; N21-D25 PolarHBondContact O-N 3.13Å |
| 22 | T | 93.8 | Very high | 86.9 | Confident | 60 Ų | 60 | 82.8 Ų | 82.8 | 37% | 0.368 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -57.1 | -41.9 | 173.8 | -52.4 | 0 | 0 | 0 | 0 | 111.9 | A18 L19 K24 D25 L26 | A18-T22 PolarHBondContact O-N 3.41Å; A18-T22 PolarHBondContact O-OG1 3.05Å; A18-T22 VanDerWaalsContact O-OG1 3.13Å; L19-T22 PolarHBondContact O-N 3.12Å; T22-K24 PolarHBondContact O-N 3.33Å; T22-D25 PolarHBondContact O-N 3.3Å; T22-L26 HydrophobicContact CG2-CD1 3.94Å; T22-L26 HydrophobicContact CG2-CG 4.32Å; T22-L26 WeakPolarHBondContact O-CB 3.25Å; T22-L26 VanDerWaalsContact O-CG 3.25Å; T22-L26 WeakPolarHBondContact O-CG 3.37Å; T22-L26 PolarHBondContact O-N 3.1Å |
| 23 | V | 94.4 | Very high | 88.8 | Confident | 18 Ų | 18 | 79.1 Ų | 79.1 | 11% | 0.109 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -59.3 | -43.8 | 175.1 | 165.3 | 0 | 0 | 0 | 0 | 111.7 | L19 N21 D25 L26 C27 L43 C46 L47 I50 | L19-V23 WeakPolarHBondContact O-CG2 3.33Å; L19-V23 PolarHBondContact O-N 3.35Å; N21-V23 VanDerWaalsContact C-N 3.29Å; N21-V23 PolarHBondContact O-N 3.28Å; V23-D25 PolarHBondContact O-N 3.04Å; V23-L26 PolarHBondContact O-N 3.31Å; V23-C27 WeakPolarHBondContact O-CB 3.25Å; V23-C27 PolarHBondContact O-N 3.31Å; V23-C27 PolarHBondContact O-SG 3.34Å; V23-L43 HydrophobicContact CB-CD1 4.3Å; V23-L43 HydrophobicContact CG1-CD1 3.8Å; V23-L43 HydrophobicContact CG2-CD1 4.19Å; V23-C46 HydrophobicContact CG2-CB 3.67Å; V23-L47 HydrophobicContact CG1-CD2 4.06Å; V23-L47 HydrophobicContact CG2-CD2 4.17Å; V23-L47 HydrophobicContact CG2-CG 4.34Å; V23-I50 HydrophobicContact CG2-CD1 3.72Å |
| 24 | K | 94 | Very high | 90.4 | Very high | 139 Ų | 139 | 77.4 Ų | 77.4 | 60% | 0.604 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -62.5 | -43.2 | 176.9 | -70.7 | 173.3 | -177.6 | 174 | 0 | 111.8 | K20 N21 T22 C27 H28 | K20-K24 WeakPolarHBondContact O-CG 3.35Å; K20-K24 PolarHBondContact O-N 3.38Å; N21-K24 WeakPolarHBondContact O-CB 3.35Å; N21-K24 PolarHBondContact O-N 2.99Å; N21-K24 VanDerWaalsContact O-N 3.08Å; T22-K24 PolarHBondContact O-N 3.33Å; K24-C27 PolarHBondContact O-N 2.89Å; K24-H28 PolarHBondContact O-N 3.48Å |
| 25 | D | 95.2 | Very high | 91.5 | Very high | 111 Ų | 111 | 79.2 Ų | 79.2 | 59% | 0.594 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -64.7 | -41 | 178.5 | -68 | -21.1 | 0 | 0 | 0 | 111.5 | N21 T22 V23 H28 R29 | N21-D25 PolarHBondContact O-N 3.13Å; T22-D25 PolarHBondContact O-N 3.3Å; V23-D25 PolarHBondContact O-N 3.04Å; D25-H28 PolarHBondContact O-N 3.49Å; D25-R29 WeakPolarHBondContact O-CB 3.38Å; D25-R29 PolarHBondContact O-N 2.85Å |
| 26 | L | 95.2 | Very high | 92.1 | Very high | 6 Ų | 6 | 76 Ų | 76 | 3% | 0.031 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -66.7 | -41.5 | 175.9 | -70.7 | 171.3 | 0 | 0 | 0 | 112.2 | T22 V23 H28 R29 L30 A39 Q42 L43 | T22-L26 HydrophobicContact CG2-CD1 3.94Å; T22-L26 HydrophobicContact CG2-CG 4.32Å; T22-L26 WeakPolarHBondContact O-CB 3.25Å; T22-L26 VanDerWaalsContact O-CG 3.25Å; T22-L26 WeakPolarHBondContact O-CG 3.37Å; T22-L26 PolarHBondContact O-N 3.1Å; V23-L26 PolarHBondContact O-N 3.31Å; L26-H28 PolarHBondContact O-N 2.64Å; L26-R29 WeakPolarHBondContact O-CB 3.43Å; L26-R29 PolarHBondContact O-N 2.83Å; L26-L30 WeakPolarHBondContact O-CG 3.21Å; L26-L30 PolarHBondContact O-N 2.86Å; L26-A39 HydrophobicContact CD2-CB 4.25Å; L26-Q42 HydrophobicContact CD1-CB 3.79Å; L26-Q42 HydrophobicContact CD2-CB 4.16Å; L26-L43 HydrophobicContact CB-CB 4.3Å; L26-L43 HydrophobicContact CB-CD1 4.35Å; L26-L43 HydrophobicContact CD1-CB 4.2Å |
| 27 | C | 93.9 | Very high | 92.5 | Very high | 38 Ų | 38 | 77.5 Ų | 77.5 | 26% | 0.257 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59 | -46.1 | 172.6 | -73.3 | 0 | 0 | 0 | 0 | 111.3 | V23 K24 R29 L30 E31 | V23-C27 WeakPolarHBondContact O-CB 3.25Å; V23-C27 PolarHBondContact O-N 3.31Å; V23-C27 PolarHBondContact O-SG 3.34Å; K24-C27 PolarHBondContact O-N 2.89Å; C27-R29 VanDerWaalsContact C-N 3.29Å; C27-R29 PolarHBondContact O-N 3.28Å; C27-L30 PolarHBondContact O-N 2.9Å; C27-E31 WeakPolarHBondContact O-CG 3.5Å; C27-E31 PolarHBondContact O-N 3.27Å |
| 28 | H | 94.1 | Very high | 92.9 | Very high | 97 Ų | 97 | 79.2 Ų | 79.2 | 45% | 0.449 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.4 | -35.5 | 176 | -172.5 | 52.8 | 0 | 0 | 0 | 112.6 | K24 D25 L26 K32 | K24-H28 PolarHBondContact O-N 3.48Å; D25-H28 PolarHBondContact O-N 3.49Å; L26-H28 PolarHBondContact O-N 2.64Å; H28-K32 VanDerWaalsContact NE2-CE 3.33Å; H28-K32 WeakPolarHBondContact NE2-CE 3.32Å; H28-K32 PolarHBondContact NE2-NZ 3.32Å; H28-K32 WeakPolarHBondContact O-CG 3.45Å; H28-K32 PolarHBondContact O-N 3.5Å |
| 29 | R | 94.7 | Very high | 93.1 | Very high | 88 Ų | 88 | 76.8 Ų | 76.8 | 33% | 0.332 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.4 | -42.4 | 175.4 | -162.1 | 169.8 | 106.4 | -162 | 3.7 | 111.3 | D25 L26 C27 K32 N33 D36 A39 | D25-R29 WeakPolarHBondContact O-CB 3.38Å; D25-R29 PolarHBondContact O-N 2.85Å; L26-R29 WeakPolarHBondContact O-CB 3.43Å; L26-R29 PolarHBondContact O-N 2.83Å; C27-R29 VanDerWaalsContact C-N 3.29Å; C27-R29 PolarHBondContact O-N 3.28Å; R29-K32 PolarHBondContact O-N 3.12Å; R29-N33 PolarHBondContact O-N 3.24Å; R29-D36 IonicContact CZ-OD1 2.69Å; R29-D36 IonicContact CZ-OD2 2.97Å; R29-D36 VanDerWaalsContact CZ-OD2 3.23Å; R29-D36 IonicContact NE-OD1 2.86Å; R29-D36 IonicContact NE-OD2 3.57Å; R29-D36 PolarHBondContact NE-OD2 3.14Å; R29-D36 VanDerWaalsContact NH2-CG 3.3Å; R29-D36 IonicContact NH2-OD1 3.94Å; R29-D36 PolarHBondContact NH2-OD1 3.36Å; R29-D36 IonicContact NH2-OD2 2.79Å; R29-D36 PolarHBondContact NH2-OD2 2.86Å; R29-A39 VanDerWaalsContact NH2-CA 3.25Å; R29-A39 VanDerWaalsContact NH2-CB 3.31Å |
| 30 | L | 93.1 | Very high | 93.4 | Very high | 19 Ų | 19 | 75.3 Ų | 75.3 | 10% | 0.099 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -71.9 | -32.2 | 176.6 | -73.8 | 172.6 | 0 | 0 | 0 | 113.3 | L26 C27 K32 N33 P34 D36 A39 H40 L43 | L26-L30 WeakPolarHBondContact O-CG 3.21Å; L26-L30 PolarHBondContact O-N 2.86Å; C27-L30 PolarHBondContact O-N 2.9Å; L30-K32 VanDerWaalsContact C-N 3.25Å; L30-K32 PolarHBondContact O-N 3.41Å; L30-N33 CarbonylContact O-C 3.54Å; L30-N33 PolarHBondContact O-N 3.15Å; L30-P34 VanDerWaalsContact O-CA 3.29Å; L30-P34 WeakPolarHBondContact O-CA 3.25Å; L30-P34 WeakPolarHBondContact O-CD 3.25Å; L30-P34 WeakPolarHBondContact O-CG 3.37Å; L30-D36 HydrophobicContact CD2-CB 4.31Å; L30-A39 HydrophobicContact CD1-CB 4.33Å; L30-A39 HydrophobicContact CD2-CB 3.62Å; L30-A39 HydrophobicContact CG-CB 3.74Å; L30-H40 WeakPolarHBondContact CD2-NE2 3.49Å; L30-L43 HydrophobicContact CD1-CD2 3.59Å |
| 31 | E | 93.1 | Very high | 93.5 | Very high | 152 Ų | 152 | 71.1 Ų | 71.1 | 71% | 0.71 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -63 | -35.1 | 171.2 | -76.9 | 174.1 | -168.3 | 0 | 0 | 111.7 | C27 | C27-E31 WeakPolarHBondContact O-CG 3.5Å; C27-E31 PolarHBondContact O-N 3.27Å |
| 32 | K | 93.1 | Very high | 93.7 | Very high | 152 Ų | 152 | 70.9 Ų | 70.9 | 66% | 0.661 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -80.1 | -39.1 | 175.7 | -71.1 | 177 | 178.3 | 177.1 | 0 | 113.2 | H28 R29 L30 | H28-K32 VanDerWaalsContact NE2-CE 3.33Å; H28-K32 WeakPolarHBondContact NE2-CE 3.32Å; H28-K32 PolarHBondContact NE2-NZ 3.32Å; H28-K32 WeakPolarHBondContact O-CG 3.45Å; H28-K32 PolarHBondContact O-N 3.5Å; R29-K32 PolarHBondContact O-N 3.12Å; L30-K32 VanDerWaalsContact C-N 3.25Å; L30-K32 PolarHBondContact O-N 3.41Å |
| 33 | N | 91.2 | Very high | 93.8 | Very high | 70 Ų | 70 | 68.4 Ų | 68.4 | 37% | 0.374 | 33% | 0.329 | S | S | . | . | trans | -137.5 | 90.9 | 179 | -176.7 | 17 | 0 | 0 | 0 | 110.2 | R29 L30 F35 D36 | R29-N33 PolarHBondContact O-N 3.24Å; L30-N33 CarbonylContact O-C 3.54Å; L30-N33 PolarHBondContact O-N 3.15Å; N33-F35 PolarHBondContact O-N 3.18Å; N33-F35 VanDerWaalsContact O-N 3.09Å; N33-F35 PolarHBondContact OD1-N 3.15Å; N33-D36 HydrophobicContact CB-CB 4.49Å; N33-D36 PolarHBondContact O-N 2.65Å | ||
| 34 | P | 91.1 | Very high | 93.8 | Very high | 63 Ų | 63 | 67.8 Ų | 67.8 | 41% | 0.409 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -18.2 | 177.9 | -25.3 | 35.2 | 0 | 0 | 0 | 113.9 | L30 H40 | L30-P34 VanDerWaalsContact O-CA 3.29Å; L30-P34 WeakPolarHBondContact O-CA 3.25Å; L30-P34 WeakPolarHBondContact O-CD 3.25Å; L30-P34 WeakPolarHBondContact O-CG 3.37Å; P34-H40 PolarHBondContact O-NE2 3.33Å |
| 35 | F | 89.6 | Confident | 93.9 | Very high | 141 Ų | 141 | 65.6 Ų | 65.6 | 62% | 0.618 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | 15.8 | -178.4 | -53.1 | -74.6 | 0 | 0 | 0 | 113.5 | N33 Y37 T66 Y67 | N33-F35 PolarHBondContact O-N 3.18Å; N33-F35 VanDerWaalsContact O-N 3.09Å; N33-F35 PolarHBondContact OD1-N 3.15Å; F35-Y37 PolarHBondContact O-N 3.05Å; F35-T66 HydrophobicContact CD1-CG2 3.61Å; F35-T66 HydrophobicContact CE1-CG2 4.01Å; F35-Y67 WeakPolarHBondContact CA-OH 3.44Å; F35-Y67 WeakPolarHBondContact CB-OH 3.41Å; F35-Y67 PolarHBondContact O-OH 3.02Å |
| 36 | D | 92 | Very high | 93.8 | Very high | 33 Ų | 33 | 61 Ų | 61 | 18% | 0.176 | 29% | 0.294 | C | S | . | . | trans | -82.8 | 91.6 | 174.4 | -170.6 | -30.3 | 0 | 0 | 0 | 110.5 | R29 L30 N33 N38 A39 H40 | R29-D36 IonicContact CZ-OD1 2.69Å; R29-D36 IonicContact CZ-OD2 2.97Å; R29-D36 VanDerWaalsContact CZ-OD2 3.23Å; R29-D36 IonicContact NE-OD1 2.86Å; R29-D36 IonicContact NE-OD2 3.57Å; R29-D36 PolarHBondContact NE-OD2 3.14Å; R29-D36 VanDerWaalsContact NH2-CG 3.3Å; R29-D36 IonicContact NH2-OD1 3.94Å; R29-D36 PolarHBondContact NH2-OD1 3.36Å; R29-D36 IonicContact NH2-OD2 2.79Å; R29-D36 PolarHBondContact NH2-OD2 2.86Å; L30-D36 HydrophobicContact CD2-CB 4.31Å; N33-D36 HydrophobicContact CB-CB 4.49Å; N33-D36 PolarHBondContact O-N 2.65Å; D36-N38 VanDerWaalsContact C-N 3.31Å; D36-N38 PolarHBondContact O-N 2.97Å; D36-N38 PolarHBondContact OD1-N 2.69Å; D36-A39 HydrophobicContact CB-CB 3.76Å; D36-A39 WeakPolarHBondContact O-CB 3.45Å; D36-A39 PolarHBondContact O-N 3.42Å; D36-A39 VanDerWaalsContact O-N 3.09Å; D36-A39 PolarHBondContact OD1-N 3.17Å; D36-H40 PolarHBondContact O-CD2 3.08Å; D36-H40 VanDerWaalsContact O-CD2 3.32Å; D36-H40 PolarHBondContact O-N 3.04Å | ||
| 37 | Y | 92.5 | Very high | 93.8 | Very high | 86 Ų | 86 | 60.9 Ų | 60.9 | 34% | 0.337 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -53.6 | -45.7 | 179.8 | 180 | -91.8 | 0 | 0 | 0 | 112.8 | F35 A39 H40 V41 M63 Y67 | F35-Y37 PolarHBondContact O-N 3.05Å; Y37-A39 VanDerWaalsContact C-N 3.27Å; Y37-A39 PolarHBondContact O-N 3.16Å; Y37-H40 WeakPolarHBondContact O-CB 3.43Å; Y37-H40 PolarHBondContact O-N 3.5Å; Y37-V41 HydrophobicContact CD1-CG2 4.08Å; Y37-V41 HydrophobicContact CE1-CG2 3.58Å; Y37-V41 HydrophobicContact CE2-CG2 4.44Å; Y37-V41 PolarHBondContact O-N 3.45Å; Y37-M63 HydrophobicContact CD2-CE 3.8Å; Y37-M63 HydrophobicContact CE2-CE 3.29Å; Y37-Y67 HydrophobicContact CD2-CD2 4.07Å; Y37-Y67 HydrophobicContact CD2-CE2 4.37Å; Y37-Y67 HydrophobicContact CD2-CG 4.18Å |
| 38 | N | 94.6 | Very high | 93.8 | Very high | 100 Ų | 100 | 62.4 Ų | 62.4 | 54% | 0.535 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.4 | -32.9 | -179.3 | -72.6 | -30.8 | 0 | 0 | 0 | 111.7 | D36 Q42 | D36-N38 VanDerWaalsContact C-N 3.31Å; D36-N38 PolarHBondContact O-N 2.97Å; D36-N38 PolarHBondContact OD1-N 2.69Å; N38-Q42 WeakPolarHBondContact O-CB 3.36Å; N38-Q42 WeakPolarHBondContact O-CG 3.34Å; N38-Q42 PolarHBondContact O-N 3.23Å |
| 39 | A | 95.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.1 | -43 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | L26 R29 L30 D36 Y37 L43 | L26-A39 HydrophobicContact CD2-CB 4.25Å; R29-A39 VanDerWaalsContact NH2-CA 3.25Å; R29-A39 VanDerWaalsContact NH2-CB 3.31Å; L30-A39 HydrophobicContact CD1-CB 4.33Å; L30-A39 HydrophobicContact CD2-CB 3.62Å; L30-A39 HydrophobicContact CG-CB 3.74Å; D36-A39 HydrophobicContact CB-CB 3.76Å; D36-A39 WeakPolarHBondContact O-CB 3.45Å; D36-A39 PolarHBondContact O-N 3.42Å; D36-A39 VanDerWaalsContact O-N 3.09Å; D36-A39 PolarHBondContact OD1-N 3.17Å; Y37-A39 VanDerWaalsContact C-N 3.27Å; Y37-A39 PolarHBondContact O-N 3.16Å; A39-L43 WeakPolarHBondContact O-CB 3.29Å; A39-L43 PolarHBondContact O-N 2.89Å |
| 40 | H | 96.6 | Very high | 93.6 | Very high | 9 Ų | 9 | 63 Ų | 63 | 4% | 0.042 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.2 | -49.7 | 175.9 | -76.9 | -70.8 | 0 | 0 | 0 | 111.7 | L30 P34 D36 Y37 L43 I44 M63 | L30-H40 WeakPolarHBondContact CD2-NE2 3.49Å; P34-H40 PolarHBondContact O-NE2 3.33Å; D36-H40 PolarHBondContact O-CD2 3.08Å; D36-H40 VanDerWaalsContact O-CD2 3.32Å; D36-H40 PolarHBondContact O-N 3.04Å; Y37-H40 WeakPolarHBondContact O-CB 3.43Å; Y37-H40 PolarHBondContact O-N 3.5Å; H40-L43 WeakPolarHBondContact O-CB 3.28Å; H40-L43 PolarHBondContact O-N 2.89Å; H40-I44 WeakPolarHBondContact O-CG1 3.25Å; H40-I44 PolarHBondContact O-N 3.27Å; H40-M63 HydrophobicContact CB-CB 4.12Å; H40-M63 HydrophobicContact CB-CE 4.41Å; H40-M63 HydrophobicContact CB-CG 3.76Å; H40-M63 HydrophobicContact CB-SD 3.79Å |
| 41 | V | 95.2 | Very high | 93.4 | Very high | 23 Ų | 23 | 63.8 Ų | 63.8 | 14% | 0.139 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.3 | -49.8 | 179.7 | 175.5 | 0 | 0 | 0 | 0 | 111.1 | Y37 L43 I44 E45 M63 | Y37-V41 HydrophobicContact CD1-CG2 4.08Å; Y37-V41 HydrophobicContact CE1-CG2 3.58Å; Y37-V41 HydrophobicContact CE2-CG2 4.44Å; Y37-V41 PolarHBondContact O-N 3.45Å; V41-L43 VanDerWaalsContact C-N 3.28Å; V41-L43 PolarHBondContact O-N 3.38Å; V41-I44 PolarHBondContact O-N 3.45Å; V41-E45 WeakPolarHBondContact O-CG 3.43Å; V41-E45 PolarHBondContact O-N 2.9Å; V41-M63 HydrophobicContact CG2-CE 3.75Å; V41-M63 HydrophobicContact CG2-SD 4.48Å |
| 42 | Q | 95.4 | Very high | 93.3 | Very high | 83 Ų | 83 | 59.5 Ų | 59.5 | 39% | 0.388 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.8 | -37.1 | 178.2 | -71.5 | 172.6 | 13.8 | 0 | 0 | 112.1 | L26 N38 C46 | L26-Q42 HydrophobicContact CD1-CB 3.79Å; L26-Q42 HydrophobicContact CD2-CB 4.16Å; N38-Q42 WeakPolarHBondContact O-CB 3.36Å; N38-Q42 WeakPolarHBondContact O-CG 3.34Å; N38-Q42 PolarHBondContact O-N 3.23Å; Q42-C46 WeakPolarHBondContact O-CB 3.28Å; Q42-C46 PolarHBondContact O-N 3.48Å; Q42-C46 PolarHBondContact O-SG 2.86Å |
| 43 | L | 95.4 | Very high | 93.1 | Very high | 8 Ų | 8 | 56.6 Ų | 56.6 | 4% | 0.042 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.7 | -47.3 | 177.9 | 175.2 | 62 | 0 | 0 | 0 | 110.6 | V23 L26 L30 A39 H40 V41 C46 L47 A59 | V23-L43 HydrophobicContact CB-CD1 4.3Å; V23-L43 HydrophobicContact CG1-CD1 3.8Å; V23-L43 HydrophobicContact CG2-CD1 4.19Å; L26-L43 HydrophobicContact CB-CB 4.3Å; L26-L43 HydrophobicContact CB-CD1 4.35Å; L26-L43 HydrophobicContact CD1-CB 4.2Å; L30-L43 HydrophobicContact CD1-CD2 3.59Å; A39-L43 WeakPolarHBondContact O-CB 3.29Å; A39-L43 PolarHBondContact O-N 2.89Å; H40-L43 WeakPolarHBondContact O-CB 3.28Å; H40-L43 PolarHBondContact O-N 2.89Å; V41-L43 VanDerWaalsContact C-N 3.28Å; V41-L43 PolarHBondContact O-N 3.38Å; L43-C46 PolarHBondContact O-N 3.34Å; L43-L47 HydrophobicContact CD1-CD1 3.76Å; L43-L47 HydrophobicContact CD1-CG 4Å; L43-L47 HydrophobicContact CG-CD1 3.82Å; L43-L47 HydrophobicContact CG-CG 4.44Å; L43-L47 WeakPolarHBondContact O-CB 3.4Å; L43-L47 VanDerWaalsContact O-CG 3.25Å; L43-L47 WeakPolarHBondContact O-CG 3.17Å; L43-L47 PolarHBondContact O-N 3.45Å; L43-A59 HydrophobicContact CD2-CB 4.13Å; L43-A59 HydrophobicContact CG-CB 4.36Å |
| 44 | I | 95.7 | Very high | 93.1 | Very high | 5 Ų | 5 | 61.5 Ų | 61.5 | 3% | 0.026 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.4 | -46.8 | 177.4 | -71.1 | 168.5 | 0 | 0 | 0 | 110.4 | H40 V41 C46 L47 R48 L56 A59 R60 M63 | H40-I44 WeakPolarHBondContact O-CG1 3.25Å; H40-I44 PolarHBondContact O-N 3.27Å; V41-I44 PolarHBondContact O-N 3.45Å; I44-C46 PolarHBondContact O-N 2.93Å; I44-L47 PolarHBondContact O-N 2.98Å; I44-R48 WeakPolarHBondContact O-CB 3.45Å; I44-R48 PolarHBondContact O-N 3.13Å; I44-L56 HydrophobicContact CB-CD1 4.29Å; I44-L56 HydrophobicContact CG2-CD1 3.8Å; I44-L56 WeakPolarHBondContact O-CD1 3.25Å; I44-A59 HydrophobicContact CG1-CB 4.23Å; I44-R60 HydrophobicContact CD1-CG 3.97Å; I44-R60 HydrophobicContact CG1-CG 4.15Å; I44-R60 HydrophobicContact CG2-CG 4.31Å; I44-M63 HydrophobicContact CD1-CB 4.14Å; I44-M63 HydrophobicContact CD1-CG 4.44Å; I44-M63 HydrophobicContact CD1-SD 3.43Å; I44-M63 WeakPolarHBondContact CD1-SD 3.19Å |
| 45 | E | 94.5 | Very high | 93.2 | Very high | 94 Ų | 94 | 61.2 Ų | 61.2 | 44% | 0.439 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.8 | -44.7 | 177 | -73.5 | 178.6 | -171.9 | 0 | 0 | 112.4 | V41 R48 K49 | V41-E45 WeakPolarHBondContact O-CG 3.43Å; V41-E45 PolarHBondContact O-N 2.9Å; E45-R48 PolarHBondContact O-N 3.41Å; E45-K49 WeakPolarHBondContact O-CG 3.47Å; E45-K49 PolarHBondContact O-N 2.73Å |
| 46 | C | 94 | Very high | 93.5 | Very high | 15 Ų | 15 | 54.5 Ų | 54.5 | 10% | 0.101 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.4 | -44.5 | 178 | -70 | 0 | 0 | 0 | 0 | 111.5 | L19 V23 Q42 L43 I44 K49 I50 | L19-C46 HydrophobicContact CD2-CB 4.45Å; V23-C46 HydrophobicContact CG2-CB 3.67Å; Q42-C46 WeakPolarHBondContact O-CB 3.28Å; Q42-C46 PolarHBondContact O-N 3.48Å; Q42-C46 PolarHBondContact O-SG 2.86Å; L43-C46 PolarHBondContact O-N 3.34Å; I44-C46 PolarHBondContact O-N 2.93Å; C46-K49 PolarHBondContact O-N 2.95Å; C46-I50 VanDerWaalsContact O-CG1 3.25Å; C46-I50 WeakPolarHBondContact O-CG1 3.34Å; C46-I50 PolarHBondContact O-N 2.95Å |
| 47 | L | 94.6 | Very high | 93.6 | Very high | 3 Ų | 3 | 56.9 Ų | 56.9 | 2% | 0.016 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.8 | -39 | 178.3 | -72.8 | 171.2 | 0 | 0 | 0 | 112.1 | V23 L43 I44 I50 G51 D52 T55 L56 A59 | V23-L47 HydrophobicContact CG1-CD2 4.06Å; V23-L47 HydrophobicContact CG2-CD2 4.17Å; V23-L47 HydrophobicContact CG2-CG 4.34Å; L43-L47 HydrophobicContact CD1-CD1 3.76Å; L43-L47 HydrophobicContact CD1-CG 4Å; L43-L47 HydrophobicContact CG-CD1 3.82Å; L43-L47 HydrophobicContact CG-CG 4.44Å; L43-L47 WeakPolarHBondContact O-CB 3.4Å; L43-L47 VanDerWaalsContact O-CG 3.25Å; L43-L47 WeakPolarHBondContact O-CG 3.17Å; L43-L47 PolarHBondContact O-N 3.45Å; I44-L47 PolarHBondContact O-N 2.98Å; L47-I50 PolarHBondContact O-N 3.34Å; L47-G51 PolarHBondContact O-N 3.25Å; L47-D52 HydrophobicContact CD2-CB 4.42Å; L47-D52 PolarHBondContact O-N 2.91Å; L47-T55 HydrophobicContact CD1-CG2 3.88Å; L47-T55 HydrophobicContact CD2-CG2 3.83Å; L47-L56 HydrophobicContact CB-CB 4.14Å; L47-L56 HydrophobicContact CB-CD1 3.92Å; L47-A59 HydrophobicContact CD1-CB 3.71Å |
| 48 | R | 93.6 | Very high | 93.7 | Very high | 70 Ų | 70 | 57 Ų | 57 | 26% | 0.264 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63 | -41.6 | 174.6 | -165.6 | 178.9 | -170.4 | -152.1 | -3.9 | 111.6 | I44 E45 G51 L56 Q76 E79 D80 | I44-R48 WeakPolarHBondContact O-CB 3.45Å; I44-R48 PolarHBondContact O-N 3.13Å; E45-R48 PolarHBondContact O-N 3.41Å; R48-G51 PolarHBondContact O-N 3.31Å; R48-L56 HydrophobicContact CB-CD1 4.37Å; R48-L56 HydrophobicContact CB-CD2 4.11Å; R48-L56 HydrophobicContact CG-CD2 4.29Å; R48-Q76 VanDerWaalsContact NH1-CD 3.32Å; R48-Q76 VanDerWaalsContact NH1-CG 3.34Å; R48-Q76 VanDerWaalsContact NH1-OE1 3.16Å; R48-E79 IonicContact CZ-OE2 3.29Å; R48-E79 IonicContact NH2-OE2 3.53Å; R48-E79 PolarHBondContact NH2-OE2 2.88Å; R48-D80 IonicContact CZ-OD1 2.7Å; R48-D80 IonicContact CZ-OD2 3.44Å; R48-D80 IonicContact NE-OD1 3.33Å; R48-D80 PolarHBondContact NE-OD1 2.84Å; R48-D80 IonicContact NE-OD2 3.27Å; R48-D80 PolarHBondContact NE-OD2 2.86Å; R48-D80 VanDerWaalsContact NE-OD2 3.14Å; R48-D80 IonicContact NH2-OD1 3.27Å; R48-D80 PolarHBondContact NH2-OD1 3.39Å |
| 49 | K | 92.8 | Very high | 93.7 | Very high | 153 Ų | 153 | 52.6 Ų | 52.6 | 67% | 0.665 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -66.1 | -35.8 | 174.4 | -72.9 | 174.7 | -177.9 | 172.9 | 0 | 113.3 | L19 E45 C46 G51 | L19-K49 HydrophobicContact CD1-CB 4.11Å; E45-K49 WeakPolarHBondContact O-CG 3.47Å; E45-K49 PolarHBondContact O-N 2.73Å; C46-K49 PolarHBondContact O-N 2.95Å; K49-G51 VanDerWaalsContact C-N 3.32Å |
| 50 | I | 92.3 | Very high | 93.8 | Very high | 44 Ų | 44 | 53 Ų | 53 | 23% | 0.226 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -71.8 | -27.3 | 176.3 | -67.9 | 164.3 | 0 | 0 | 0 | 111.6 | L19 K20 V23 C46 L47 D52 | L19-I50 HydrophobicContact CB-CD1 3.92Å; L19-I50 HydrophobicContact CB-CG1 3.86Å; L19-I50 HydrophobicContact CD1-CG1 4.27Å; K20-I50 HydrophobicContact CG-CD1 4.14Å; V23-I50 HydrophobicContact CG2-CD1 3.72Å; C46-I50 VanDerWaalsContact O-CG1 3.25Å; C46-I50 WeakPolarHBondContact O-CG1 3.34Å; C46-I50 PolarHBondContact O-N 2.95Å; L47-I50 PolarHBondContact O-N 3.34Å; I50-D52 HydrophobicContact CG2-CB 4.21Å |
| 51 | G | 89.2 | Confident | 93.8 | Very high | 36 Ų | 36 | 55 Ų | 55 | 37% | 0.371 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | 17 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L47 R48 K49 F53 | L47-G51 PolarHBondContact O-N 3.25Å; R48-G51 PolarHBondContact O-N 3.31Å; K49-G51 VanDerWaalsContact C-N 3.32Å; G51-F53 VanDerWaalsContact C-N 3.31Å; G51-F53 WeakPolarHBondContact O-CD2 3.46Å; G51-F53 PolarHBondContact O-N 3.33Å |
| 52 | D | 90.2 | Very high | 93.8 | Very high | 62 Ų | 62 | 61 Ų | 61 | 33% | 0.332 | 29% | 0.289 | S | S | . | . | trans | -82.5 | 76.4 | 174.3 | -175.4 | 0.6 | 0 | 0 | 0 | 110.8 | L47 I50 K54 T55 L56 | L47-D52 HydrophobicContact CD2-CB 4.42Å; L47-D52 PolarHBondContact O-N 2.91Å; I50-D52 HydrophobicContact CG2-CB 4.21Å; D52-K54 PolarHBondContact O-N 2.64Å; D52-T55 VanDerWaalsContact CG-OG1 3.23Å; D52-T55 PolarHBondContact O-N 3.05Å; D52-T55 PolarHBondContact OD1-N 3.1Å; D52-T55 PolarHBondContact OD1-OG1 3.33Å; D52-T55 WeakPolarHBondContact OD2-CB 3.48Å; D52-T55 PolarHBondContact OD2-OG1 3.47Å; D52-L56 VanDerWaalsContact O-CB 3.25Å; D52-L56 WeakPolarHBondContact O-CB 3.25Å; D52-L56 PolarHBondContact O-N 2.97Å | ||
| 53 | F | 89.6 | Confident | 93.9 | Very high | 91 Ų | 91 | 57 Ų | 57 | 40% | 0.399 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.8 | -27.9 | -175.5 | -64.8 | -69.5 | 0 | 0 | 0 | 114.1 | G51 L56 K57 D80 | G51-F53 VanDerWaalsContact C-N 3.31Å; G51-F53 WeakPolarHBondContact O-CD2 3.46Å; G51-F53 PolarHBondContact O-N 3.33Å; F53-L56 HydrophobicContact CD1-CD2 4.07Å; F53-K57 WeakPolarHBondContact O-CB 3.46Å; F53-K57 PolarHBondContact O-N 3.42Å; F53-D80 HydrophobicContact CE1-CB 4.44Å |
| 54 | K | 91.2 | Very high | 93.9 | Very high | 173 Ų | 173 | 58.1 Ų | 58.1 | 75% | 0.752 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -69.3 | -50.4 | 179.1 | -68.9 | -177.3 | -179.5 | 179.1 | 0 | 110.6 | D52 L56 K57 I58 | D52-K54 PolarHBondContact O-N 2.64Å; K54-L56 VanDerWaalsContact C-N 3.33Å; K54-K57 PolarHBondContact O-N 3.13Å; K54-I58 PolarHBondContact O-N 2.93Å |
| 55 | T | 93.7 | Very high | 93.8 | Very high | 56 Ų | 56 | 65 Ų | 65 | 34% | 0.344 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -68.8 | -35.7 | 177.3 | -52.6 | 0 | 0 | 0 | 0 | 110.9 | L47 D52 K57 I58 A59 | L47-T55 HydrophobicContact CD1-CG2 3.88Å; L47-T55 HydrophobicContact CD2-CG2 3.83Å; D52-T55 VanDerWaalsContact CG-OG1 3.23Å; D52-T55 PolarHBondContact O-N 3.05Å; D52-T55 PolarHBondContact OD1-N 3.1Å; D52-T55 PolarHBondContact OD1-OG1 3.33Å; D52-T55 WeakPolarHBondContact OD2-CB 3.48Å; D52-T55 PolarHBondContact OD2-OG1 3.47Å; T55-K57 PolarHBondContact O-N 3.42Å; T55-I58 PolarHBondContact O-N 3.04Å; T55-A59 WeakPolarHBondContact O-CB 3.29Å; T55-A59 PolarHBondContact O-N 3.09Å |
| 56 | L | 94.4 | Very high | 93.6 | Very high | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.4 | -46.1 | 174.5 | -179.5 | 61.5 | 0 | 0 | 0 | 112.1 | I44 L47 R48 D52 F53 K54 I58 A59 R60 | I44-L56 HydrophobicContact CB-CD1 4.29Å; I44-L56 HydrophobicContact CG2-CD1 3.8Å; I44-L56 WeakPolarHBondContact O-CD1 3.25Å; L47-L56 HydrophobicContact CB-CB 4.14Å; L47-L56 HydrophobicContact CB-CD1 3.92Å; R48-L56 HydrophobicContact CB-CD1 4.37Å; R48-L56 HydrophobicContact CB-CD2 4.11Å; R48-L56 HydrophobicContact CG-CD2 4.29Å; D52-L56 VanDerWaalsContact O-CB 3.25Å; D52-L56 WeakPolarHBondContact O-CB 3.25Å; D52-L56 PolarHBondContact O-N 2.97Å; F53-L56 HydrophobicContact CD1-CD2 4.07Å; K54-L56 VanDerWaalsContact C-N 3.33Å; L56-I58 PolarHBondContact O-N 3.22Å; L56-A59 PolarHBondContact O-N 3.16Å; L56-R60 HydrophobicContact CD1-CG 4.43Å; L56-R60 WeakPolarHBondContact O-CG 3.48Å; L56-R60 PolarHBondContact O-N 3.21Å |
| 57 | K | 94 | Very high | 93.6 | Very high | 82 Ų | 82 | 64.4 Ų | 64.4 | 36% | 0.357 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.2 | -45 | 177.2 | -172.7 | 171.4 | -169.2 | 133.4 | 0 | 111.8 | F53 K54 T55 A59 R60 E61 W77 E81 | F53-K57 WeakPolarHBondContact O-CB 3.46Å; F53-K57 PolarHBondContact O-N 3.42Å; K54-K57 PolarHBondContact O-N 3.13Å; T55-K57 PolarHBondContact O-N 3.42Å; K57-A59 VanDerWaalsContact C-N 3.34Å; K57-A59 PolarHBondContact O-N 3.46Å; K57-R60 PolarHBondContact O-N 3.14Å; K57-E61 WeakPolarHBondContact O-CG 3.44Å; K57-E61 PolarHBondContact O-N 3.44Å; K57-W77 HydrophobicContact CG-CZ2 4.3Å; K57-E81 IonicContact NZ-OE1 2.88Å; K57-E81 PolarHBondContact NZ-OE1 3.15Å; K57-E81 IonicContact NZ-OE2 3.08Å; K57-E81 PolarHBondContact NZ-OE2 3.32Å |
| 58 | I | 95.4 | Very high | 93.7 | Very high | 90 Ų | 90 | 64.8 Ų | 64.8 | 46% | 0.462 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 176.9 | -63.2 | 168.5 | 0 | 0 | 0 | 111 | K54 T55 L56 E61 R62 | K54-I58 PolarHBondContact O-N 2.93Å; T55-I58 PolarHBondContact O-N 3.04Å; L56-I58 PolarHBondContact O-N 3.22Å; I58-E61 PolarHBondContact O-N 3.03Å; I58-R62 VanDerWaalsContact O-CG 3.32Å; I58-R62 WeakPolarHBondContact O-CG 3.34Å; I58-R62 PolarHBondContact O-N 3.01Å |
| 59 | A | 95.4 | Very high | 93.8 | Very high | 6 Ų | 6 | 61.6 Ų | 61.6 | 5% | 0.05 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64 | -41.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L43 I44 L47 T55 L56 K57 R62 M63 | L43-A59 HydrophobicContact CD2-CB 4.13Å; L43-A59 HydrophobicContact CG-CB 4.36Å; I44-A59 HydrophobicContact CG1-CB 4.23Å; L47-A59 HydrophobicContact CD1-CB 3.71Å; T55-A59 WeakPolarHBondContact O-CB 3.29Å; T55-A59 PolarHBondContact O-N 3.09Å; L56-A59 PolarHBondContact O-N 3.16Å; K57-A59 VanDerWaalsContact C-N 3.34Å; K57-A59 PolarHBondContact O-N 3.46Å; A59-R62 PolarHBondContact O-N 2.87Å; A59-M63 PolarHBondContact O-N 3.19Å |
| 60 | R | 96.7 | Very high | 93.9 | Very high | 9 Ų | 9 | 56.5 Ų | 56.5 | 3% | 0.034 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.2 | -43.6 | 175.9 | -73.4 | 176.6 | 168.6 | 152.6 | -2.7 | 112.5 | I44 L56 K57 M63 H64 W77 D80 | I44-R60 HydrophobicContact CD1-CG 3.97Å; I44-R60 HydrophobicContact CG1-CG 4.15Å; I44-R60 HydrophobicContact CG2-CG 4.31Å; L56-R60 HydrophobicContact CD1-CG 4.43Å; L56-R60 WeakPolarHBondContact O-CG 3.48Å; L56-R60 PolarHBondContact O-N 3.21Å; K57-R60 PolarHBondContact O-N 3.14Å; R60-M63 PolarHBondContact O-N 3.34Å; R60-H64 WeakPolarHBondContact O-CB 3.24Å; R60-H64 PolarHBondContact O-N 3.32Å; R60-W77 HydrophobicContact CB-CD2 4.06Å; R60-W77 HydrophobicContact CB-CE3 3.85Å; R60-W77 HydrophobicContact CB-CH2 3.82Å; R60-W77 HydrophobicContact CB-CZ2 4.04Å; R60-W77 HydrophobicContact CB-CZ3 3.73Å; R60-W77 VanDerWaalsContact CD-CD2 3.46Å; R60-W77 VanDerWaalsContact CD-CG 3.42Å; R60-W77 HydrophobicContact CG-CD2 4.34Å; R60-W77 HydrophobicContact CG-CE3 4.35Å; R60-D80 IonicContact CZ-OD2 2.74Å; R60-D80 VanDerWaalsContact CZ-OD2 3.29Å; R60-D80 IonicContact NH1-OD2 3.31Å; R60-D80 PolarHBondContact NH1-OD2 2.83Å; R60-D80 IonicContact NH2-OD2 3.71Å; R60-D80 PolarHBondContact NH2-OD2 3.37Å |
| 61 | E | 96.7 | Very high | 94.1 | Very high | 52 Ų | 52 | 55.3 Ų | 55.3 | 24% | 0.243 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 175.3 | -70.5 | -66.1 | 175.8 | 0 | 0 | 111.6 | K57 I58 M63 H64 E65 W77 R100 | K57-E61 WeakPolarHBondContact O-CG 3.44Å; K57-E61 PolarHBondContact O-N 3.44Å; I58-E61 PolarHBondContact O-N 3.03Å; E61-M63 VanDerWaalsContact C-N 3.33Å; E61-M63 PolarHBondContact O-N 3.46Å; E61-H64 PolarHBondContact O-N 3.35Å; E61-E65 WeakPolarHBondContact O-CG 3.45Å; E61-E65 PolarHBondContact O-N 3.39Å; E61-W77 HydrophobicContact CG-CH2 3.94Å; E61-W77 HydrophobicContact CG-CZ2 4.27Å; E61-W77 WeakPolarHBondContact OE1-CH2 3.26Å; E61-R100 IonicContact OE1-CZ 2.96Å; E61-R100 IonicContact OE1-NH1 3.79Å; E61-R100 PolarHBondContact OE1-NH1 2.91Å; E61-R100 IonicContact OE1-NH2 3.59Å; E61-R100 PolarHBondContact OE1-NH2 3.16Å; E61-R100 IonicContact OE2-CZ 3.39Å; E61-R100 IonicContact OE2-NH1 3.05Å; E61-R100 IonicContact OE2-NH2 3.23Å; E61-R100 PolarHBondContact OE2-NH2 3.33Å |
| 62 | R | 95.4 | Very high | 94.4 | Very high | 147 Ų | 147 | 57.8 Ų | 57.8 | 56% | 0.555 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -60.6 | -40.2 | 176.2 | -73.9 | 175.2 | -179.4 | 178.3 | 0.1 | 113 | I58 A59 T66 | I58-R62 VanDerWaalsContact O-CG 3.32Å; I58-R62 WeakPolarHBondContact O-CG 3.34Å; I58-R62 PolarHBondContact O-N 3.01Å; A59-R62 PolarHBondContact O-N 2.87Å; R62-T66 PolarHBondContact O-N 2.81Å; R62-T66 PolarHBondContact O-OG1 3.13Å; R62-T66 VanDerWaalsContact O-OG1 3.08Å |
| 63 | M | 96.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.2 | -46.2 | 175.4 | -174.5 | -178.9 | 177.6 | 0 | 0 | 110.4 | Y37 H40 V41 I44 A59 R60 E61 E65 T66 Y67 L69 L73 | Y37-M63 HydrophobicContact CD2-CE 3.8Å; Y37-M63 HydrophobicContact CE2-CE 3.29Å; H40-M63 HydrophobicContact CB-CB 4.12Å; H40-M63 HydrophobicContact CB-CE 4.41Å; H40-M63 HydrophobicContact CB-CG 3.76Å; H40-M63 HydrophobicContact CB-SD 3.79Å; V41-M63 HydrophobicContact CG2-CE 3.75Å; V41-M63 HydrophobicContact CG2-SD 4.48Å; I44-M63 HydrophobicContact CD1-CB 4.14Å; I44-M63 HydrophobicContact CD1-CG 4.44Å; I44-M63 HydrophobicContact CD1-SD 3.43Å; I44-M63 WeakPolarHBondContact CD1-SD 3.19Å; A59-M63 PolarHBondContact O-N 3.19Å; R60-M63 PolarHBondContact O-N 3.34Å; E61-M63 VanDerWaalsContact C-N 3.33Å; E61-M63 PolarHBondContact O-N 3.46Å; M63-E65 VanDerWaalsContact C-N 3.34Å; M63-E65 PolarHBondContact O-N 3.27Å; M63-T66 PolarHBondContact O-N 2.98Å; M63-Y67 PolarHBondContact O-N 2.97Å; M63-L69 HydrophobicContact CB-CD2 4.15Å; M63-L69 HydrophobicContact CE-CD2 4.04Å; M63-L69 HydrophobicContact CG-CD2 3.64Å; M63-L69 HydrophobicContact SD-CD2 3.71Å; M63-L73 HydrophobicContact CE-CD1 3.74Å; M63-L73 HydrophobicContact SD-CD1 4.28Å |
| 64 | H | 96.4 | Very high | 95.1 | Very high | 32 Ų | 32 | 51.6 Ų | 51.6 | 15% | 0.148 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.7 | -37.1 | 178.7 | 175.3 | -100.4 | 0 | 0 | 0 | 112.8 | R60 E61 T66 Y67 L69 W74 R100 D104 R354 | R60-H64 WeakPolarHBondContact O-CB 3.24Å; R60-H64 PolarHBondContact O-N 3.32Å; E61-H64 PolarHBondContact O-N 3.35Å; H64-T66 PolarHBondContact O-N 2.7Å; H64-Y67 CarbonylContact C-O 3.44Å; H64-Y67 VanDerWaalsContact CA-O 3.25Å; H64-Y67 WeakPolarHBondContact CA-O 3.39Å; H64-Y67 VanDerWaalsContact O-O 3.11Å; H64-L69 HydrophobicContact CB-CD1 4.06Å; H64-L69 HydrophobicContact CB-CD2 4.35Å; H64-L69 HydrophobicContact CB-CG 4.04Å; H64-W74 AromaticContact CD2-CH2 3.95Å; H64-W74 AromaticContact CD2-CZ2 3.44Å; H64-W74 VanDerWaalsContact CD2-CZ2 3.44Å; H64-W74 WeakPolarHBondContact CD2-CZ2 3.41Å; H64-W74 AromaticContact NE2-CZ2 3.78Å; H64-R100 PolarHBondContact ND1-NH2 3.29Å; H64-R100 VanDerWaalsContact ND1-NH2 3.19Å; H64-D104 IonicContact CD2-OD2 2.78Å; H64-D104 IonicContact NE2-OD1 3.89Å; H64-D104 IonicContact NE2-OD2 2.71Å; H64-R354 PolarHBondContact O-NH2 3.49Å |
| 65 | E | 93.4 | Very high | 95.4 | Very high | 149 Ų | 149 | 45.4 Ų | 45.4 | 70% | 0.696 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -57.9 | -31.1 | 173.1 | -76.8 | 171.6 | -179.6 | 0 | 0 | 112.1 | E61 M63 | E61-E65 WeakPolarHBondContact O-CG 3.45Å; E61-E65 PolarHBondContact O-N 3.39Å; M63-E65 VanDerWaalsContact C-N 3.34Å; M63-E65 PolarHBondContact O-N 3.27Å |
| 66 | T | 91.5 | Very high | 95.6 | Very high | 43 Ų | 43 | 45.2 Ų | 45.2 | 26% | 0.264 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -95 | -38.1 | -177.4 | -46.4 | 0 | 0 | 0 | 0 | 112.5 | F35 R62 M63 H64 | F35-T66 HydrophobicContact CD1-CG2 3.61Å; F35-T66 HydrophobicContact CE1-CG2 4.01Å; R62-T66 PolarHBondContact O-N 2.81Å; R62-T66 PolarHBondContact O-OG1 3.13Å; R62-T66 VanDerWaalsContact O-OG1 3.08Å; M63-T66 PolarHBondContact O-N 2.98Å; H64-T66 PolarHBondContact O-N 2.7Å |
| 67 | Y | 93.3 | Very high | 95.7 | Very high | 54 Ų | 54 | 45.2 Ų | 45.2 | 21% | 0.212 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -137.6 | 142.9 | -172.6 | -58.1 | -71.1 | 0 | 0 | 0 | 111.7 | F35 Y37 M63 H64 L69 | F35-Y67 WeakPolarHBondContact CA-OH 3.44Å; F35-Y67 WeakPolarHBondContact CB-OH 3.41Å; F35-Y67 PolarHBondContact O-OH 3.02Å; Y37-Y67 HydrophobicContact CD2-CD2 4.07Å; Y37-Y67 HydrophobicContact CD2-CE2 4.37Å; Y37-Y67 HydrophobicContact CD2-CG 4.18Å; M63-Y67 PolarHBondContact O-N 2.97Å; H64-Y67 CarbonylContact C-O 3.44Å; H64-Y67 VanDerWaalsContact CA-O 3.25Å; H64-Y67 WeakPolarHBondContact CA-O 3.39Å; H64-Y67 VanDerWaalsContact O-O 3.11Å; Y67-L69 PolarHBondContact O-N 3.32Å |
| 68 | P | 95.5 | Very high | 95.8 | Very high | 11 Ų | 11 | 41.4 Ų | 41.4 | 7% | 0.071 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -56.8 | 134.3 | 161.1 | -20 | 33.2 | 0 | 0 | 0 | 109.9 | D104 Y105 R354 | P68-D104 WeakPolarHBondContact CA-OD2 3.35Å; P68-D104 HydrophobicContact CB-CB 4.25Å; P68-Y105 HydrophobicContact CB-CE2 4Å; P68-R354 HydrophobicContact CG-CB 3.67Å |
| 69 | L | 96.3 | Very high | 95.8 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -86.2 | 139.1 | 178 | -52.8 | -179.2 | 0 | 0 | 0 | 109.8 | M63 H64 Y67 L73 W74 W77 D104 Y105 | M63-L69 HydrophobicContact CB-CD2 4.15Å; M63-L69 HydrophobicContact CE-CD2 4.04Å; M63-L69 HydrophobicContact CG-CD2 3.64Å; M63-L69 HydrophobicContact SD-CD2 3.71Å; H64-L69 HydrophobicContact CB-CD1 4.06Å; H64-L69 HydrophobicContact CB-CD2 4.35Å; H64-L69 HydrophobicContact CB-CG 4.04Å; Y67-L69 PolarHBondContact O-N 3.32Å; L69-L73 HydrophobicContact CB-CB 4.16Å; L69-L73 HydrophobicContact CD2-CD1 4.47Å; L69-W74 HydrophobicContact CB-CD2 4.25Å; L69-W74 HydrophobicContact CB-CG 4.2Å; L69-W74 HydrophobicContact CB-CZ2 4.41Å; L69-W74 HydrophobicContact CD1-CD2 4.24Å; L69-W74 HydrophobicContact CD1-CE3 4.44Å; L69-W74 HydrophobicContact CD1-CH2 4.29Å; L69-W74 HydrophobicContact CD1-CZ2 4.11Å; L69-W74 HydrophobicContact CD1-CZ3 4.46Å; L69-W74 HydrophobicContact CG-CZ2 4.34Å; L69-W74 PolarHBondContact O-NE1 3.23Å; L69-W77 HydrophobicContact CD1-CE3 3.93Å; L69-W77 HydrophobicContact CD1-CZ3 3.9Å; L69-D104 PolarHBondContact N-OD2 2.91Å; L69-Y105 VanDerWaalsContact O-CD2 3.29Å; L69-Y105 WeakPolarHBondContact O-CD2 3.35Å; L69-Y105 WeakPolarHBondContact O-CE2 3.43Å |
| 70 | T | 94.8 | Very high | 95.7 | Very high | 45 Ų | 45 | 41.3 Ų | 41.3 | 28% | 0.276 | 20% | 0.201 | S | C | . | . | P | Polyproline II helix | trans | -64.7 | 156.3 | 176.6 | 63.4 | 0 | 0 | 0 | 0 | 111 | T72 L73 W74 | T70-T72 PolarHBondContact O-N 3.28Å; T70-T72 VanDerWaalsContact O-N 3.14Å; T70-L73 PolarHBondContact O-N 3.35Å; T70-L73 WeakPolarHBondContact OG1-CG 3.38Å; T70-L73 PolarHBondContact OG1-N 3.07Å; T70-W74 PolarHBondContact O-N 3.32Å |
| 71 | P | 97.1 | Very high | 95.6 | Very high | 19 Ų | 19 | 42.8 Ų | 42.8 | 12% | 0.123 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -51 | -40.2 | 176.4 | -29.5 | 36.6 | 0 | 0 | 0 | 112.8 | L73 W74 L75 Y105 D107 V110 T318 | P71-L73 PolarHBondContact O-N 2.95Å; P71-W74 PolarHBondContact O-N 3Å; P71-L75 WeakPolarHBondContact O-CB 3.39Å; P71-L75 VanDerWaalsContact O-CG 3.22Å; P71-L75 WeakPolarHBondContact O-CG 3.46Å; P71-L75 PolarHBondContact O-N 2.89Å; P71-Y105 HydrophobicContact CG-CD2 4.44Å; P71-D107 HydrophobicContact CB-CB 3.76Å; P71-D107 HydrophobicContact CG-CB 3.53Å; P71-V110 HydrophobicContact CB-CG2 4.06Å; P71-T318 HydrophobicContact CG-CG2 4.08Å |
| 72 | T | 96.2 | Very high | 95.4 | Very high | 89 Ų | 89 | 43 Ų | 43 | 55% | 0.546 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.4 | -44.1 | 176.3 | -49.1 | 0 | 0 | 0 | 0 | 112.8 | T70 Q76 | T70-T72 PolarHBondContact O-N 3.28Å; T70-T72 VanDerWaalsContact O-N 3.14Å; T72-Q76 VanDerWaalsContact O-CG 3.28Å; T72-Q76 WeakPolarHBondContact O-CG 3.49Å; T72-Q76 PolarHBondContact O-N 2.92Å; T72-Q76 VanDerWaalsContact O-N 3.08Å |
| 73 | L | 96.3 | Very high | 95.2 | Very high | 23 Ų | 23 | 42.4 Ų | 42.4 | 12% | 0.12 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69 | -38.9 | 179 | -70 | 174.7 | 0 | 0 | 0 | 111.6 | M63 L69 T70 P71 W77 | M63-L73 HydrophobicContact CE-CD1 3.74Å; M63-L73 HydrophobicContact SD-CD1 4.28Å; L69-L73 HydrophobicContact CB-CB 4.16Å; L69-L73 HydrophobicContact CD2-CD1 4.47Å; T70-L73 PolarHBondContact O-N 3.35Å; T70-L73 WeakPolarHBondContact OG1-CG 3.38Å; T70-L73 PolarHBondContact OG1-N 3.07Å; P71-L73 PolarHBondContact O-N 2.95Å; L73-W77 PolarHBondContact O-N 3.11Å; L73-W77 VanDerWaalsContact O-N 3.11Å |
| 74 | W | 97.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.9 | -49.4 | 173.8 | -84.6 | 122.6 | 0 | 0 | 0 | 112.1 | H64 L69 T70 P71 Q76 W77 I78 L97 R100 A101 D104 | H64-W74 AromaticContact CD2-CH2 3.95Å; H64-W74 AromaticContact CD2-CZ2 3.44Å; H64-W74 VanDerWaalsContact CD2-CZ2 3.44Å; H64-W74 WeakPolarHBondContact CD2-CZ2 3.41Å; H64-W74 AromaticContact NE2-CZ2 3.78Å; L69-W74 HydrophobicContact CB-CD2 4.25Å; L69-W74 HydrophobicContact CB-CG 4.2Å; L69-W74 HydrophobicContact CB-CZ2 4.41Å; L69-W74 HydrophobicContact CD1-CD2 4.24Å; L69-W74 HydrophobicContact CD1-CE3 4.44Å; L69-W74 HydrophobicContact CD1-CH2 4.29Å; L69-W74 HydrophobicContact CD1-CZ2 4.11Å; L69-W74 HydrophobicContact CD1-CZ3 4.46Å; L69-W74 HydrophobicContact CG-CZ2 4.34Å; L69-W74 PolarHBondContact O-NE1 3.23Å; T70-W74 PolarHBondContact O-N 3.32Å; P71-W74 PolarHBondContact O-N 3Å; W74-Q76 VanDerWaalsContact C-N 3.32Å; W74-Q76 PolarHBondContact O-N 3.49Å; W74-W77 AromaticContact CE3-CE3 3.78Å; W74-W77 HydrophobicContact CE3-CE3 3.78Å; W74-W77 HydrophobicContact CE3-CZ3 4.29Å; W74-W77 HydrophobicContact CH2-CE3 4.18Å; W74-W77 AromaticContact CH2-CZ3 3.84Å; W74-W77 HydrophobicContact CH2-CZ3 3.84Å; W74-W77 HydrophobicContact CZ3-CD2 4.31Å; W74-W77 AromaticContact CZ3-CE3 3.41Å; W74-W77 HydrophobicContact CZ3-CE3 3.41Å; W74-W77 VanDerWaalsContact CZ3-CE3 3.41Å; W74-W77 HydrophobicContact CZ3-CH2 4.43Å; W74-W77 AromaticContact CZ3-CZ3 3.49Å; W74-W77 HydrophobicContact CZ3-CZ3 3.49Å; W74-W77 VanDerWaalsContact CZ3-CZ3 3.49Å; W74-W77 WeakPolarHBondContact O-CB 3.35Å; W74-W77 PolarHBondContact O-N 3.37Å; W74-I78 WeakPolarHBondContact O-CB 3.46Å; W74-I78 WeakPolarHBondContact O-CG1 3.46Å; W74-I78 PolarHBondContact O-N 2.96Å; W74-L97 HydrophobicContact CZ3-CD2 4.14Å; W74-R100 HydrophobicContact CH2-CB 3.78Å; W74-R100 HydrophobicContact CZ2-CB 4.16Å; W74-R100 HydrophobicContact CZ3-CB 4.31Å; W74-A101 HydrophobicContact CB-CB 3.71Å; W74-A101 HydrophobicContact CD2-CB 3.6Å; W74-A101 HydrophobicContact CE3-CB 4.07Å; W74-A101 HydrophobicContact CG-CB 3.43Å; W74-A101 VanDerWaalsContact CG-CB 3.43Å; W74-D104 WeakPolarHBondContact CZ2-OD2 3.45Å; W74-D104 PolarHBondContact NE1-OD2 3.4Å |
| 75 | L | 98 | Very high | 94.4 | Very high | 42 Ų | 42 | 45.7 Ų | 45.7 | 22% | 0.22 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60 | -41.7 | 179.1 | -73.1 | 176.9 | 0 | 0 | 0 | 111.8 | P71 W77 I78 E79 N109 V110 E113 | P71-L75 WeakPolarHBondContact O-CB 3.39Å; P71-L75 VanDerWaalsContact O-CG 3.22Å; P71-L75 WeakPolarHBondContact O-CG 3.46Å; P71-L75 PolarHBondContact O-N 2.89Å; L75-W77 VanDerWaalsContact C-N 3.31Å; L75-W77 PolarHBondContact O-N 3.34Å; L75-I78 PolarHBondContact O-N 3.33Å; L75-E79 VanDerWaalsContact O-CB 3.25Å; L75-E79 WeakPolarHBondContact O-CB 3.33Å; L75-E79 PolarHBondContact O-N 2.92Å; L75-N109 HydrophobicContact CD1-CB 3.93Å; L75-V110 HydrophobicContact CD2-CG2 4.18Å; L75-V110 HydrophobicContact CG-CG2 4.19Å; L75-E113 HydrophobicContact CD2-CB 3.97Å; L75-E113 HydrophobicContact CD2-CG 3.71Å |
| 76 | Q | 96.1 | Very high | 94.1 | Very high | 53 Ų | 53 | 43.3 Ų | 43.3 | 25% | 0.248 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.7 | -37.3 | 174.2 | -71.7 | -179.2 | 26.2 | 0 | 0 | 112.8 | R48 T72 W74 D80 | R48-Q76 VanDerWaalsContact NH1-CD 3.32Å; R48-Q76 VanDerWaalsContact NH1-CG 3.34Å; R48-Q76 VanDerWaalsContact NH1-OE1 3.16Å; T72-Q76 VanDerWaalsContact O-CG 3.28Å; T72-Q76 WeakPolarHBondContact O-CG 3.49Å; T72-Q76 PolarHBondContact O-N 2.92Å; T72-Q76 VanDerWaalsContact O-N 3.08Å; W74-Q76 VanDerWaalsContact C-N 3.32Å; W74-Q76 PolarHBondContact O-N 3.49Å; Q76-D80 PolarHBondContact O-N 2.92Å; Q76-D80 VanDerWaalsContact O-N 3.16Å |
| 77 | W | 96.8 | Very high | 94 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.5 | -47.9 | 176.5 | -172 | -0.5 | 0 | 0 | 0 | 111.4 | K57 R60 E61 L69 L73 W74 L75 E79 D80 E81 L97 | K57-W77 HydrophobicContact CG-CZ2 4.3Å; R60-W77 HydrophobicContact CB-CD2 4.06Å; R60-W77 HydrophobicContact CB-CE3 3.85Å; R60-W77 HydrophobicContact CB-CH2 3.82Å; R60-W77 HydrophobicContact CB-CZ2 4.04Å; R60-W77 HydrophobicContact CB-CZ3 3.73Å; R60-W77 VanDerWaalsContact CD-CD2 3.46Å; R60-W77 VanDerWaalsContact CD-CG 3.42Å; R60-W77 HydrophobicContact CG-CD2 4.34Å; R60-W77 HydrophobicContact CG-CE3 4.35Å; E61-W77 HydrophobicContact CG-CH2 3.94Å; E61-W77 HydrophobicContact CG-CZ2 4.27Å; E61-W77 WeakPolarHBondContact OE1-CH2 3.26Å; L69-W77 HydrophobicContact CD1-CE3 3.93Å; L69-W77 HydrophobicContact CD1-CZ3 3.9Å; L73-W77 PolarHBondContact O-N 3.11Å; L73-W77 VanDerWaalsContact O-N 3.11Å; W74-W77 AromaticContact CE3-CE3 3.78Å; W74-W77 HydrophobicContact CE3-CE3 3.78Å; W74-W77 HydrophobicContact CE3-CZ3 4.29Å; W74-W77 HydrophobicContact CH2-CE3 4.18Å; W74-W77 AromaticContact CH2-CZ3 3.84Å; W74-W77 HydrophobicContact CH2-CZ3 3.84Å; W74-W77 HydrophobicContact CZ3-CD2 4.31Å; W74-W77 AromaticContact CZ3-CE3 3.41Å; W74-W77 HydrophobicContact CZ3-CE3 3.41Å; W74-W77 VanDerWaalsContact CZ3-CE3 3.41Å; W74-W77 HydrophobicContact CZ3-CH2 4.43Å; W74-W77 AromaticContact CZ3-CZ3 3.49Å; W74-W77 HydrophobicContact CZ3-CZ3 3.49Å; W74-W77 VanDerWaalsContact CZ3-CZ3 3.49Å; W74-W77 WeakPolarHBondContact O-CB 3.35Å; W74-W77 PolarHBondContact O-N 3.37Å; L75-W77 VanDerWaalsContact C-N 3.31Å; L75-W77 PolarHBondContact O-N 3.34Å; W77-E79 VanDerWaalsContact C-N 3.29Å; W77-E79 PolarHBondContact O-N 3.27Å; W77-D80 PolarHBondContact O-N 3.25Å; W77-D80 VanDerWaalsContact O-N 3.17Å; W77-E81 PolarHBondContact NE1-OE1 2.91Å; W77-E81 VanDerWaalsContact NE1-OE1 3.16Å; W77-E81 WeakPolarHBondContact O-CG 3.37Å; W77-E81 PolarHBondContact O-N 3.48Å; W77-L97 HydrophobicContact CD2-CD2 4.38Å; W77-L97 HydrophobicContact CH2-CD2 4.39Å; W77-L97 HydrophobicContact CZ2-CD2 4.09Å |
| 78 | I | 96.9 | Very high | 93.7 | Very high | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.015 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.3 | -44.5 | 177.4 | -70.1 | 163.7 | 0 | 0 | 0 | 110.2 | W74 L75 D80 E81 L82 V94 L97 F98 A101 | W74-I78 WeakPolarHBondContact O-CB 3.46Å; W74-I78 WeakPolarHBondContact O-CG1 3.46Å; W74-I78 PolarHBondContact O-N 2.96Å; L75-I78 PolarHBondContact O-N 3.33Å; I78-D80 VanDerWaalsContact C-N 3.35Å; I78-D80 PolarHBondContact O-N 3.39Å; I78-E81 PolarHBondContact O-N 3.38Å; I78-L82 HydrophobicContact CG2-CD1 3.79Å; I78-L82 HydrophobicContact CG2-CG 4.23Å; I78-L82 VanDerWaalsContact O-CB 3.32Å; I78-L82 WeakPolarHBondContact O-CB 3.34Å; I78-L82 VanDerWaalsContact O-CG 3.26Å; I78-L82 WeakPolarHBondContact O-CG 3.46Å; I78-L82 PolarHBondContact O-N 3.14Å; I78-V94 HydrophobicContact CG2-CG1 4.23Å; I78-L97 HydrophobicContact CG1-CB 3.99Å; I78-F98 HydrophobicContact CD1-CD1 3.73Å; I78-F98 HydrophobicContact CD1-CE1 3.86Å; I78-F98 HydrophobicContact CD1-CG 4.22Å; I78-F98 HydrophobicContact CD1-CZ 4.46Å; I78-F98 HydrophobicContact CG2-CE1 3.87Å; I78-F98 HydrophobicContact CG2-CE2 3.79Å; I78-F98 HydrophobicContact CG2-CZ 3.43Å; I78-F98 VanDerWaalsContact CG2-CZ 3.43Å; I78-A101 HydrophobicContact CD1-CB 4.28Å |
| 79 | E | 95.5 | Very high | 93.4 | Very high | 83 Ų | 83 | 51.2 Ų | 51.2 | 39% | 0.388 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -57.9 | -44.8 | 176.3 | -169.8 | -160.5 | 169.8 | 0 | 0 | 112.1 | R48 L75 W77 L82 K83 | R48-E79 IonicContact CZ-OE2 3.29Å; R48-E79 IonicContact NH2-OE2 3.53Å; R48-E79 PolarHBondContact NH2-OE2 2.88Å; L75-E79 VanDerWaalsContact O-CB 3.25Å; L75-E79 WeakPolarHBondContact O-CB 3.33Å; L75-E79 PolarHBondContact O-N 2.92Å; W77-E79 VanDerWaalsContact C-N 3.29Å; W77-E79 PolarHBondContact O-N 3.27Å; E79-L82 PolarHBondContact O-N 2.95Å; E79-K83 WeakPolarHBondContact O-CG 3.15Å; E79-K83 PolarHBondContact O-N 3.46Å; E79-K83 VanDerWaalsContact O-N 3.12Å; E79-K83 WeakPolarHBondContact OE1-CE 3.33Å; E79-K83 IonicContact OE1-NZ 2.68Å; E79-K83 PolarHBondContact OE1-NZ 3.38Å |
| 80 | D | 93.8 | Very high | 93.2 | Very high | 10 Ų | 10 | 54.8 Ų | 54.8 | 5% | 0.053 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.8 | -38.1 | 179.3 | -65.1 | -20.4 | 0 | 0 | 0 | 112 | R48 F53 R60 Q76 W77 I78 | R48-D80 IonicContact CZ-OD1 2.7Å; R48-D80 IonicContact CZ-OD2 3.44Å; R48-D80 IonicContact NE-OD1 3.33Å; R48-D80 PolarHBondContact NE-OD1 2.84Å; R48-D80 IonicContact NE-OD2 3.27Å; R48-D80 PolarHBondContact NE-OD2 2.86Å; R48-D80 VanDerWaalsContact NE-OD2 3.14Å; R48-D80 IonicContact NH2-OD1 3.27Å; R48-D80 PolarHBondContact NH2-OD1 3.39Å; F53-D80 HydrophobicContact CE1-CB 4.44Å; R60-D80 IonicContact CZ-OD2 2.74Å; R60-D80 VanDerWaalsContact CZ-OD2 3.29Å; R60-D80 IonicContact NH1-OD2 3.31Å; R60-D80 PolarHBondContact NH1-OD2 2.83Å; R60-D80 IonicContact NH2-OD2 3.71Å; R60-D80 PolarHBondContact NH2-OD2 3.37Å; Q76-D80 PolarHBondContact O-N 2.92Å; Q76-D80 VanDerWaalsContact O-N 3.16Å; W77-D80 PolarHBondContact O-N 3.25Å; W77-D80 VanDerWaalsContact O-N 3.17Å; I78-D80 VanDerWaalsContact C-N 3.35Å; I78-D80 PolarHBondContact O-N 3.39Å |
| 81 | E | 93.3 | Very high | 93 | Very high | 40 Ų | 40 | 55.8 Ų | 55.8 | 19% | 0.187 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -74.2 | -34.2 | 177.9 | -64.7 | -88 | -176.6 | 0 | 0 | 111.2 | K57 W77 I78 K83 N84 A85 V94 L97 | K57-E81 IonicContact NZ-OE1 2.88Å; K57-E81 PolarHBondContact NZ-OE1 3.15Å; K57-E81 IonicContact NZ-OE2 3.08Å; K57-E81 PolarHBondContact NZ-OE2 3.32Å; W77-E81 PolarHBondContact NE1-OE1 2.91Å; W77-E81 VanDerWaalsContact NE1-OE1 3.16Å; W77-E81 WeakPolarHBondContact O-CG 3.37Å; W77-E81 PolarHBondContact O-N 3.48Å; I78-E81 PolarHBondContact O-N 3.38Å; E81-K83 PolarHBondContact O-N 2.91Å; E81-N84 CarbonylContact O-C 3.52Å; E81-N84 PolarHBondContact O-N 2.93Å; E81-N84 VanDerWaalsContact O-N 3.15Å; E81-A85 VanDerWaalsContact O-CB 3.25Å; E81-A85 WeakPolarHBondContact O-CB 3.41Å; E81-A85 PolarHBondContact O-N 2.74Å; E81-V94 HydrophobicContact CB-CG2 4Å; E81-L97 HydrophobicContact CB-CD1 4.04Å; E81-L97 HydrophobicContact CG-CD1 3.72Å |
| 82 | L | 93 | Very high | 92.8 | Very high | 58 Ų | 58 | 60.7 Ų | 60.7 | 30% | 0.304 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 172.9 | -80.6 | 171.7 | 0 | 0 | 0 | 112.3 | I78 E79 N84 A85 V94 F117 | I78-L82 HydrophobicContact CG2-CD1 3.79Å; I78-L82 HydrophobicContact CG2-CG 4.23Å; I78-L82 VanDerWaalsContact O-CB 3.32Å; I78-L82 WeakPolarHBondContact O-CB 3.34Å; I78-L82 VanDerWaalsContact O-CG 3.26Å; I78-L82 WeakPolarHBondContact O-CG 3.46Å; I78-L82 PolarHBondContact O-N 3.14Å; E79-L82 PolarHBondContact O-N 2.95Å; L82-N84 PolarHBondContact O-N 3.32Å; L82-A85 PolarHBondContact O-N 3.46Å; L82-V94 HydrophobicContact CD2-CG1 3.76Å; L82-V94 HydrophobicContact CD2-CG2 4.43Å; L82-V94 HydrophobicContact CG-CG1 3.95Å; L82-F117 HydrophobicContact CD2-CD2 3.63Å; L82-F117 HydrophobicContact CD2-CE2 3.94Å |
| 83 | K | 90.8 | Very high | 92.6 | Very high | 134 Ų | 134 | 61.2 Ų | 61.2 | 58% | 0.583 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -61.1 | -28.8 | 175.6 | -74 | 169.2 | -174.1 | 166.1 | 0 | 112.6 | E79 E81 | E79-K83 WeakPolarHBondContact O-CG 3.15Å; E79-K83 PolarHBondContact O-N 3.46Å; E79-K83 VanDerWaalsContact O-N 3.12Å; E79-K83 WeakPolarHBondContact OE1-CE 3.33Å; E79-K83 IonicContact OE1-NZ 2.68Å; E79-K83 PolarHBondContact OE1-NZ 3.38Å; E81-K83 PolarHBondContact O-N 2.91Å |
| 84 | N | 86.8 | Confident | 92.6 | Very high | 82 Ų | 82 | 60.1 Ų | 60.1 | 44% | 0.439 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -97.7 | -14.8 | -177.9 | -66.4 | 8.1 | 0 | 0 | 0 | 113 | E81 L82 S86 | E81-N84 CarbonylContact O-C 3.52Å; E81-N84 PolarHBondContact O-N 2.93Å; E81-N84 VanDerWaalsContact O-N 3.15Å; L82-N84 PolarHBondContact O-N 3.32Å; N84-S86 PolarHBondContact O-N 2.88Å |
| 85 | A | 89.1 | Confident | 92.5 | Very high | 18 Ų | 18 | 62.9 Ų | 62.9 | 15% | 0.149 | 31% | 0.313 | C | S | . | . | trans | -81.8 | 105.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | E81 L82 E90 K91 V94 | E81-A85 VanDerWaalsContact O-CB 3.25Å; E81-A85 WeakPolarHBondContact O-CB 3.41Å; E81-A85 PolarHBondContact O-N 2.74Å; L82-A85 PolarHBondContact O-N 3.46Å; A85-E90 HydrophobicContact CB-CB 3.79Å; A85-K91 HydrophobicContact CB-CG 4.46Å; A85-V94 HydrophobicContact CB-CG2 4.11Å | ||
| 86 | S | 87.3 | Confident | 92.4 | Very high | 99 Ų | 99 | 64.2 Ų | 64.2 | 69% | 0.692 | 32% | 0.322 | S | S | * | . | trans | -111.2 | -30.4 | 176.2 | 63.9 | 0 | 0 | 0 | 0 | 112.4 | N84 E90 | N84-S86 PolarHBondContact O-N 2.88Å; S86-E90 PolarHBondContact N-OE2 2.95Å; S86-E90 PolarHBondContact OG-OE2 3.26Å | ||
| 87 | T | 90 | Very high | 92.4 | Very high | 64 Ų | 64 | 62.1 Ų | 62.1 | 39% | 0.393 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -91.6 | 157.6 | -178.2 | 67.3 | 0 | 0 | 0 | 0 | 111.9 | E89 E90 K91 | T87-E89 PolarHBondContact O-N 2.89Å; T87-E90 PolarHBondContact N-OE2 3.38Å; T87-E90 PolarHBondContact O-N 3.2Å; T87-E90 WeakPolarHBondContact OG1-CB 3.44Å; T87-E90 WeakPolarHBondContact OG1-CG 3.5Å; T87-E90 PolarHBondContact OG1-N 3.37Å; T87-E90 PolarHBondContact OG1-OE2 3.49Å; T87-K91 WeakPolarHBondContact O-CG 3.45Å; T87-K91 PolarHBondContact O-N 2.99Å |
| 88 | L | 86.7 | Confident | 92.5 | Very high | 115 Ų | 115 | 62.1 Ų | 62.1 | 60% | 0.602 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -60.6 | -34.8 | 176.2 | -176.5 | 64.5 | 0 | 0 | 0 | 112.3 | K91 R92 | L88-K91 PolarHBondContact O-N 2.91Å; L88-R92 WeakPolarHBondContact O-CG 3.16Å; L88-R92 PolarHBondContact O-N 3.39Å |
| 89 | E | 89.7 | Confident | 92.5 | Very high | 95 Ų | 95 | 66.6 Ų | 66.6 | 44% | 0.444 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -70.4 | -41.6 | 178.9 | -171.9 | 54.5 | -149.3 | 0 | 0 | 111.7 | T87 K91 R92 Q93 | T87-E89 PolarHBondContact O-N 2.89Å; E89-K91 VanDerWaalsContact C-N 3.3Å; E89-K91 PolarHBondContact O-N 3.26Å; E89-R92 WeakPolarHBondContact O-CB 3.22Å; E89-R92 PolarHBondContact O-N 3.11Å; E89-R92 VanDerWaalsContact O-N 3.15Å; E89-R92 IonicContact OE2-NH1 3.14Å; E89-R92 PolarHBondContact OE2-NH1 2.99Å; E89-Q93 WeakPolarHBondContact O-CG 3.39Å; E89-Q93 PolarHBondContact O-N 3.27Å; E89-Q93 VanDerWaalsContact O-N 3.08Å; E89-Q93 PolarHBondContact OE1-NE2 2.91Å |
| 90 | E | 91.2 | Very high | 92.6 | Very high | 78 Ų | 78 | 65.2 Ų | 65.2 | 36% | 0.364 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61 | -40.4 | 172.9 | -71 | 159.7 | 169.5 | 0 | 0 | 111.4 | A85 S86 T87 R92 Q93 V94 | A85-E90 HydrophobicContact CB-CB 3.79Å; S86-E90 PolarHBondContact N-OE2 2.95Å; S86-E90 PolarHBondContact OG-OE2 3.26Å; T87-E90 PolarHBondContact N-OE2 3.38Å; T87-E90 PolarHBondContact O-N 3.2Å; T87-E90 WeakPolarHBondContact OG1-CB 3.44Å; T87-E90 WeakPolarHBondContact OG1-CG 3.5Å; T87-E90 PolarHBondContact OG1-N 3.37Å; T87-E90 PolarHBondContact OG1-OE2 3.49Å; E90-R92 VanDerWaalsContact C-N 3.33Å; E90-R92 PolarHBondContact O-N 3.23Å; E90-Q93 WeakPolarHBondContact O-CB 3.33Å; E90-Q93 PolarHBondContact O-N 2.89Å; E90-Q93 VanDerWaalsContact O-N 3.13Å; E90-V94 PolarHBondContact O-N 3.34Å |
| 91 | K | 91.1 | Very high | 92.8 | Very high | 67 Ų | 67 | 64.8 Ų | 64.8 | 29% | 0.291 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.1 | -40.1 | 173.5 | -72.2 | 179.3 | 171.6 | -164.5 | 0 | 112.3 | A85 T87 L88 E89 Q93 V94 E95 F117 T121 | A85-K91 HydrophobicContact CB-CG 4.46Å; T87-K91 WeakPolarHBondContact O-CG 3.45Å; T87-K91 PolarHBondContact O-N 2.99Å; L88-K91 PolarHBondContact O-N 2.91Å; E89-K91 VanDerWaalsContact C-N 3.3Å; E89-K91 PolarHBondContact O-N 3.26Å; K91-Q93 VanDerWaalsContact C-N 3.32Å; K91-Q93 PolarHBondContact O-N 3.46Å; K91-V94 WeakPolarHBondContact O-CB 3.43Å; K91-V94 PolarHBondContact O-N 3.42Å; K91-E95 PolarHBondContact O-N 3.06Å; K91-F117 HydrophobicContact CB-CE2 4.35Å; K91-F117 HydrophobicContact CB-CZ 4.14Å; K91-F117 HydrophobicContact CG-CE2 4.46Å; K91-F117 VanDerWaalsContact O-CZ 3.27Å; K91-F117 WeakPolarHBondContact O-CZ 3.28Å; K91-T121 HydrophobicContact CD-CG2 3.93Å |
| 92 | R | 92 | Very high | 92.9 | Very high | 122 Ų | 122 | 63.8 Ų | 63.8 | 46% | 0.46 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.2 | -37.4 | 174.1 | -71.5 | -179 | -174.4 | 126.6 | 0.7 | 112.5 | L88 E89 E90 V94 E95 V96 | L88-R92 WeakPolarHBondContact O-CG 3.16Å; L88-R92 PolarHBondContact O-N 3.39Å; E89-R92 WeakPolarHBondContact O-CB 3.22Å; E89-R92 PolarHBondContact O-N 3.11Å; E89-R92 VanDerWaalsContact O-N 3.15Å; E89-R92 IonicContact OE2-NH1 3.14Å; E89-R92 PolarHBondContact OE2-NH1 2.99Å; E90-R92 VanDerWaalsContact C-N 3.33Å; E90-R92 PolarHBondContact O-N 3.23Å; R92-V94 VanDerWaalsContact C-N 3.3Å; R92-V94 PolarHBondContact O-N 3.39Å; R92-E95 WeakPolarHBondContact O-CB 3.37Å; R92-E95 PolarHBondContact O-N 3.08Å; R92-V96 WeakPolarHBondContact O-CG2 3.47Å; R92-V96 PolarHBondContact O-N 2.86Å; R92-V96 VanDerWaalsContact O-N 3.09Å |
| 93 | Q | 92.9 | Very high | 93 | Very high | 99 Ų | 99 | 65.4 Ų | 65.4 | 46% | 0.463 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.2 | -36.4 | 175.2 | -61.8 | -58.8 | -36.8 | 0 | 0 | 111.5 | E89 E90 K91 V96 L97 | E89-Q93 WeakPolarHBondContact O-CG 3.39Å; E89-Q93 PolarHBondContact O-N 3.27Å; E89-Q93 VanDerWaalsContact O-N 3.08Å; E89-Q93 PolarHBondContact OE1-NE2 2.91Å; E90-Q93 WeakPolarHBondContact O-CB 3.33Å; E90-Q93 PolarHBondContact O-N 2.89Å; E90-Q93 VanDerWaalsContact O-N 3.13Å; K91-Q93 VanDerWaalsContact C-N 3.32Å; K91-Q93 PolarHBondContact O-N 3.46Å; Q93-V96 WeakPolarHBondContact O-CB 3.46Å; Q93-V96 PolarHBondContact O-N 3.1Å; Q93-L97 PolarHBondContact O-N 2.86Å; Q93-L97 VanDerWaalsContact O-N 3.14Å |
| 94 | V | 95.4 | Very high | 93.3 | Very high | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.006 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64 | -41.4 | 172.2 | 177.4 | 0 | 0 | 0 | 0 | 111.6 | I78 E81 L82 A85 E90 K91 R92 V96 L97 F98 F117 | I78-V94 HydrophobicContact CG2-CG1 4.23Å; E81-V94 HydrophobicContact CB-CG2 4Å; L82-V94 HydrophobicContact CD2-CG1 3.76Å; L82-V94 HydrophobicContact CD2-CG2 4.43Å; L82-V94 HydrophobicContact CG-CG1 3.95Å; A85-V94 HydrophobicContact CB-CG2 4.11Å; E90-V94 PolarHBondContact O-N 3.34Å; K91-V94 WeakPolarHBondContact O-CB 3.43Å; K91-V94 PolarHBondContact O-N 3.42Å; R92-V94 VanDerWaalsContact C-N 3.3Å; R92-V94 PolarHBondContact O-N 3.39Å; V94-V96 VanDerWaalsContact C-N 3.26Å; V94-V96 PolarHBondContact O-N 2.88Å; V94-L97 WeakPolarHBondContact O-CA 3.43Å; V94-L97 WeakPolarHBondContact O-CB 3.5Å; V94-L97 PolarHBondContact O-N 3.13Å; V94-F98 HydrophobicContact CG1-CD2 4.09Å; V94-F98 HydrophobicContact CG1-CE2 3.79Å; V94-F98 WeakPolarHBondContact O-CD2 3.38Å; V94-F98 PolarHBondContact O-N 3.05Å; V94-F98 VanDerWaalsContact O-N 3.09Å; V94-F117 HydrophobicContact CB-CE2 4.25Å; V94-F117 HydrophobicContact CB-CZ 4.39Å; V94-F117 HydrophobicContact CG1-CD2 4.3Å; V94-F117 HydrophobicContact CG1-CE2 4.07Å; V94-F117 HydrophobicContact CG1-CZ 4.44Å |
| 95 | E | 95.4 | Very high | 93.7 | Very high | 57 Ų | 57 | 55.8 Ų | 55.8 | 27% | 0.266 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.5 | -38.9 | 174.6 | -163.1 | -166 | 141.7 | 0 | 0 | 112.1 | K91 R92 L97 F98 K99 Y114 F117 | K91-E95 PolarHBondContact O-N 3.06Å; R92-E95 WeakPolarHBondContact O-CB 3.37Å; R92-E95 PolarHBondContact O-N 3.08Å; E95-L97 VanDerWaalsContact C-N 3.31Å; E95-L97 PolarHBondContact O-N 3.1Å; E95-F98 PolarHBondContact O-N 3.22Å; E95-K99 PolarHBondContact O-N 3.44Å; E95-K99 VanDerWaalsContact OE1-CE 3.31Å; E95-K99 WeakPolarHBondContact OE1-CE 3.39Å; E95-K99 IonicContact OE1-NZ 4Å; E95-K99 PolarHBondContact OE1-NZ 2.92Å; E95-Y114 HydrophobicContact CG-CE2 3.83Å; E95-Y114 WeakPolarHBondContact CG-OH 3.48Å; E95-Y114 PolarHBondContact OE1-OH 3.11Å; E95-F117 HydrophobicContact CB-CE1 3.99Å; E95-F117 HydrophobicContact CB-CZ 4.49Å; E95-F117 HydrophobicContact CG-CE1 4.29Å |
| 96 | V | 96.5 | Very high | 93.9 | Very high | 70 Ų | 70 | 56.6 Ų | 56.6 | 42% | 0.424 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.7 | -37.2 | 174.1 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | R92 Q93 V94 K99 R100 | R92-V96 WeakPolarHBondContact O-CG2 3.47Å; R92-V96 PolarHBondContact O-N 2.86Å; R92-V96 VanDerWaalsContact O-N 3.09Å; Q93-V96 WeakPolarHBondContact O-CB 3.46Å; Q93-V96 PolarHBondContact O-N 3.1Å; V94-V96 VanDerWaalsContact C-N 3.26Å; V94-V96 PolarHBondContact O-N 2.88Å; V96-K99 PolarHBondContact O-N 3.41Å; V96-R100 HydrophobicContact CG1-CG 4.5Å; V96-R100 WeakPolarHBondContact O-CG 3.46Å; V96-R100 PolarHBondContact O-N 2.96Å |
| 97 | L | 97 | Very high | 94.4 | Very high | 9 Ų | 9 | 53 Ų | 53 | 5% | 0.047 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.3 | -40.3 | 175.5 | -65.8 | 174.2 | 0 | 0 | 0 | 112.2 | W74 W77 I78 E81 Q93 V94 E95 K99 R100 A101 | W74-L97 HydrophobicContact CZ3-CD2 4.14Å; W77-L97 HydrophobicContact CD2-CD2 4.38Å; W77-L97 HydrophobicContact CH2-CD2 4.39Å; W77-L97 HydrophobicContact CZ2-CD2 4.09Å; I78-L97 HydrophobicContact CG1-CB 3.99Å; E81-L97 HydrophobicContact CB-CD1 4.04Å; E81-L97 HydrophobicContact CG-CD1 3.72Å; Q93-L97 PolarHBondContact O-N 2.86Å; Q93-L97 VanDerWaalsContact O-N 3.14Å; V94-L97 WeakPolarHBondContact O-CA 3.43Å; V94-L97 WeakPolarHBondContact O-CB 3.5Å; V94-L97 PolarHBondContact O-N 3.13Å; E95-L97 VanDerWaalsContact C-N 3.31Å; E95-L97 PolarHBondContact O-N 3.1Å; L97-K99 PolarHBondContact O-N 3.03Å; L97-R100 PolarHBondContact O-N 3.43Å; L97-A101 WeakPolarHBondContact O-CB 3.22Å; L97-A101 PolarHBondContact O-N 3.49Å |
| 98 | F | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.4 | -46.4 | 174 | -80.6 | -69.4 | 0 | 0 | 0 | 112.1 | I78 V94 E95 R100 A101 I102 V110 E113 Y114 F117 | I78-F98 HydrophobicContact CD1-CD1 3.73Å; I78-F98 HydrophobicContact CD1-CE1 3.86Å; I78-F98 HydrophobicContact CD1-CG 4.22Å; I78-F98 HydrophobicContact CD1-CZ 4.46Å; I78-F98 HydrophobicContact CG2-CE1 3.87Å; I78-F98 HydrophobicContact CG2-CE2 3.79Å; I78-F98 HydrophobicContact CG2-CZ 3.43Å; I78-F98 VanDerWaalsContact CG2-CZ 3.43Å; V94-F98 HydrophobicContact CG1-CD2 4.09Å; V94-F98 HydrophobicContact CG1-CE2 3.79Å; V94-F98 WeakPolarHBondContact O-CD2 3.38Å; V94-F98 PolarHBondContact O-N 3.05Å; V94-F98 VanDerWaalsContact O-N 3.09Å; E95-F98 PolarHBondContact O-N 3.22Å; F98-R100 VanDerWaalsContact C-N 3.32Å; F98-R100 PolarHBondContact O-N 3.48Å; F98-A101 WeakPolarHBondContact O-CB 3.35Å; F98-A101 PolarHBondContact O-N 3.08Å; F98-I102 WeakPolarHBondContact O-CD1 3.42Å; F98-I102 WeakPolarHBondContact O-CG1 3.46Å; F98-I102 PolarHBondContact O-N 3.07Å; F98-V110 HydrophobicContact CD1-CG1 4.2Å; F98-E113 HydrophobicContact CE1-CB 3.78Å; F98-E113 HydrophobicContact CZ-CB 4.09Å; F98-E113 WeakPolarHBondContact CZ-O 3.46Å; F98-Y114 HydrophobicContact CB-CD1 4.09Å; F98-Y114 HydrophobicContact CB-CD2 3.8Å; F98-Y114 HydrophobicContact CB-CE1 4.35Å; F98-Y114 HydrophobicContact CB-CE2 4.08Å; F98-Y114 HydrophobicContact CB-CG 3.82Å; F98-Y114 HydrophobicContact CD1-CD2 4.16Å; F98-Y114 AromaticContact CD1-CG 3.92Å; F98-Y114 HydrophobicContact CD1-CG 3.92Å; F98-Y114 AromaticContact CD2-CD2 3.6Å; F98-Y114 HydrophobicContact CD2-CD2 3.6Å; F98-Y114 HydrophobicContact CD2-CE2 4.17Å; F98-Y114 HydrophobicContact CD2-CG 4.2Å; F98-Y114 VanDerWaalsContact CE1-N 3.29Å; F98-Y114 HydrophobicContact CE2-CD2 4.14Å; F98-Y114 HydrophobicContact CG-CD1 4.47Å; F98-Y114 AromaticContact CG-CD2 3.59Å; F98-Y114 HydrophobicContact CG-CD2 3.59Å; F98-Y114 HydrophobicContact CG-CE2 4.27Å; F98-Y114 AromaticContact CG-CG 3.74Å; F98-Y114 HydrophobicContact CG-CG 3.74Å; F98-F117 HydrophobicContact CD2-CD1 4.23Å; F98-F117 HydrophobicContact CD2-CG 4.38Å; F98-F117 HydrophobicContact CE2-CB 3.59Å; F98-F117 AromaticContact CE2-CD1 4Å; F98-F117 HydrophobicContact CE2-CD1 4Å; F98-F117 HydrophobicContact CE2-CD2 4.29Å; F98-F117 AromaticContact CE2-CG 3.69Å; F98-F117 HydrophobicContact CE2-CG 3.69Å; F98-F117 HydrophobicContact CZ-CB 3.94Å |
| 99 | K | 96.7 | Very high | 95.2 | Very high | 98 Ų | 98 | 48.9 Ų | 48.9 | 43% | 0.426 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.5 | -42.5 | 178.2 | -68.8 | 173.7 | -173.9 | 165 | 0 | 111.7 | E95 V96 L97 I102 D103 | E95-K99 PolarHBondContact O-N 3.44Å; E95-K99 VanDerWaalsContact OE1-CE 3.31Å; E95-K99 WeakPolarHBondContact OE1-CE 3.39Å; E95-K99 IonicContact OE1-NZ 4Å; E95-K99 PolarHBondContact OE1-NZ 2.92Å; V96-K99 PolarHBondContact O-N 3.41Å; L97-K99 PolarHBondContact O-N 3.03Å; K99-I102 PolarHBondContact O-N 2.71Å; K99-D103 PolarHBondContact O-N 2.9Å |
| 100 | R | 97.1 | Very high | 95.6 | Very high | 54 Ų | 54 | 44.3 Ų | 44.3 | 20% | 0.204 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.1 | -40.9 | 174.6 | -70.4 | 171 | 61.6 | -179.5 | 3 | 112.4 | E61 H64 W74 V96 L97 F98 D103 D104 | E61-R100 IonicContact OE1-CZ 2.96Å; E61-R100 IonicContact OE1-NH1 3.79Å; E61-R100 PolarHBondContact OE1-NH1 2.91Å; E61-R100 IonicContact OE1-NH2 3.59Å; E61-R100 PolarHBondContact OE1-NH2 3.16Å; E61-R100 IonicContact OE2-CZ 3.39Å; E61-R100 IonicContact OE2-NH1 3.05Å; E61-R100 IonicContact OE2-NH2 3.23Å; E61-R100 PolarHBondContact OE2-NH2 3.33Å; H64-R100 PolarHBondContact ND1-NH2 3.29Å; H64-R100 VanDerWaalsContact ND1-NH2 3.19Å; W74-R100 HydrophobicContact CH2-CB 3.78Å; W74-R100 HydrophobicContact CZ2-CB 4.16Å; W74-R100 HydrophobicContact CZ3-CB 4.31Å; V96-R100 HydrophobicContact CG1-CG 4.5Å; V96-R100 WeakPolarHBondContact O-CG 3.46Å; V96-R100 PolarHBondContact O-N 2.96Å; L97-R100 PolarHBondContact O-N 3.43Å; F98-R100 VanDerWaalsContact C-N 3.32Å; F98-R100 PolarHBondContact O-N 3.48Å; R100-D103 PolarHBondContact O-N 2.86Å; R100-D104 PolarHBondContact O-N 3.35Å |
| 101 | A | 97.8 | Very high | 95.9 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.008 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.6 | -43.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | W74 I78 L97 F98 D103 D104 Y105 V110 | W74-A101 HydrophobicContact CB-CB 3.71Å; W74-A101 HydrophobicContact CD2-CB 3.6Å; W74-A101 HydrophobicContact CE3-CB 4.07Å; W74-A101 HydrophobicContact CG-CB 3.43Å; W74-A101 VanDerWaalsContact CG-CB 3.43Å; I78-A101 HydrophobicContact CD1-CB 4.28Å; L97-A101 WeakPolarHBondContact O-CB 3.22Å; L97-A101 PolarHBondContact O-N 3.49Å; F98-A101 WeakPolarHBondContact O-CB 3.35Å; F98-A101 PolarHBondContact O-N 3.08Å; A101-D103 VanDerWaalsContact C-N 3.33Å; A101-D104 PolarHBondContact O-N 2.97Å; A101-Y105 PolarHBondContact O-N 3.2Å; A101-Y105 VanDerWaalsContact O-N 3.08Å; A101-V110 HydrophobicContact CB-CG1 3.74Å |
| 102 | I | 96.7 | Very high | 96.3 | Very high | 18 Ų | 18 | 38.6 Ų | 38.6 | 9% | 0.092 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.6 | -36.5 | 176.1 | -67.9 | 157.5 | 0 | 0 | 0 | 111.4 | F98 K99 D104 Y105 V110 W111 Y114 | F98-I102 WeakPolarHBondContact O-CD1 3.42Å; F98-I102 WeakPolarHBondContact O-CG1 3.46Å; F98-I102 PolarHBondContact O-N 3.07Å; K99-I102 PolarHBondContact O-N 2.71Å; I102-D104 VanDerWaalsContact C-N 3.28Å; I102-D104 PolarHBondContact O-N 2.67Å; I102-Y105 CarbonylContact O-C 3.37Å; I102-Y105 PolarHBondContact O-N 3.07Å; I102-V110 HydrophobicContact CG1-CG1 3.95Å; I102-W111 HydrophobicContact CB-CZ2 4.46Å; I102-W111 HydrophobicContact CD1-CD2 3.91Å; I102-W111 HydrophobicContact CD1-CE3 3.84Å; I102-W111 HydrophobicContact CD1-CH2 3.52Å; I102-W111 HydrophobicContact CD1-CZ2 3.6Å; I102-W111 HydrophobicContact CD1-CZ3 3.65Å; I102-W111 HydrophobicContact CG1-CD2 4.35Å; I102-W111 HydrophobicContact CG1-CH2 4.42Å; I102-W111 HydrophobicContact CG1-CZ2 4.02Å; I102-W111 HydrophobicContact CG2-CH2 4.33Å; I102-W111 HydrophobicContact CG2-CZ2 3.62Å; I102-Y114 HydrophobicContact CD1-CD1 3.86Å; I102-Y114 HydrophobicContact CD1-CE1 4.28Å |
| 103 | D | 95 | Very high | 96.5 | Very high | 93 Ų | 93 | 36.9 Ų | 36.9 | 50% | 0.497 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -65.8 | -27.9 | 176.4 | -77.8 | -27.8 | 0 | 0 | 0 | 112.6 | K99 R100 A101 R351 | K99-D103 PolarHBondContact O-N 2.9Å; R100-D103 PolarHBondContact O-N 2.86Å; A101-D103 VanDerWaalsContact C-N 3.33Å; D103-R351 WeakPolarHBondContact O-CD 3.49Å; D103-R351 WeakPolarHBondContact O-CG 3.3Å; D103-R351 PolarHBondContact O-NE 2.94Å |
| 104 | D | 96.3 | Very high | 96.8 | Very high | 4 Ų | 4 | 32.7 Ų | 32.7 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -76.4 | -55.1 | 170.8 | -83.5 | -14.1 | 0 | 0 | 0 | 110.6 | H64 P68 L69 W74 R100 A101 I102 R351 R354 | H64-D104 IonicContact CD2-OD2 2.78Å; H64-D104 IonicContact NE2-OD1 3.89Å; H64-D104 IonicContact NE2-OD2 2.71Å; P68-D104 WeakPolarHBondContact CA-OD2 3.35Å; P68-D104 HydrophobicContact CB-CB 4.25Å; L69-D104 PolarHBondContact N-OD2 2.91Å; W74-D104 WeakPolarHBondContact CZ2-OD2 3.45Å; W74-D104 PolarHBondContact NE1-OD2 3.4Å; R100-D104 PolarHBondContact O-N 3.35Å; A101-D104 PolarHBondContact O-N 2.97Å; I102-D104 VanDerWaalsContact C-N 3.28Å; I102-D104 PolarHBondContact O-N 2.67Å; D104-R351 PolarHBondContact O-NE 3.13Å; D104-R351 PolarHBondContact O-NH2 3.13Å; D104-R354 IonicContact OD1-CZ 3.02Å; D104-R354 IonicContact OD1-NH1 2.7Å; D104-R354 PolarHBondContact OD1-NH1 2.98Å; D104-R354 IonicContact OD1-NH2 3.99Å |
| 105 | Y | 96.3 | Very high | 96.9 | Very high | 10 Ų | 10 | 32.6 Ų | 32.6 | 4% | 0.039 | 16% | 0.16 | C | C | . | . | trans | -143.1 | 132.2 | -178.8 | -57 | -75.6 | 0 | 0 | 0 | 112.8 | P68 L69 P71 A101 I102 D107 C321 N355 | P68-Y105 HydrophobicContact CB-CE2 4Å; L69-Y105 VanDerWaalsContact O-CD2 3.29Å; L69-Y105 WeakPolarHBondContact O-CD2 3.35Å; L69-Y105 WeakPolarHBondContact O-CE2 3.43Å; P71-Y105 HydrophobicContact CG-CD2 4.44Å; A101-Y105 PolarHBondContact O-N 3.2Å; A101-Y105 VanDerWaalsContact O-N 3.08Å; I102-Y105 CarbonylContact O-C 3.37Å; I102-Y105 PolarHBondContact O-N 3.07Å; Y105-D107 PolarHBondContact O-N 3.46Å; Y105-C321 HydrophobicContact CE1-CB 3.56Å; Y105-N355 PolarHBondContact OH-OD1 2.94Å | ||
| 106 | E | 93.3 | Very high | 96.9 | Very high | 35 Ų | 35 | 33.9 Ų | 33.9 | 16% | 0.164 | 17% | 0.166 | C | C | . | . | trans | -77.8 | 74 | 170.4 | -63.3 | -171.6 | -163.1 | 0 | 0 | 110.3 | H143 Q144 E314 | E106-H143 IonicContact OE1-CD2 2.67Å; E106-H143 IonicContact OE2-CD2 3.52Å; E106-H143 PolarHBondContact OE2-CD2 3.36Å; E106-H143 IonicContact OE2-CG 3.25Å; E106-Q144 PolarHBondContact O-NE2 2.99Å; E106-Q144 VanDerWaalsContact O-NE2 3.13Å; E106-E314 HydrophobicContact CB-CB 4.19Å; E106-E314 HydrophobicContact CB-CG 4.35Å; E106-E314 HydrophobicContact CG-CG 4.42Å | ||
| 107 | D | 96.4 | Very high | 96.9 | Very high | 23 Ų | 23 | 31.1 Ų | 31.1 | 12% | 0.123 | 15% | 0.148 | C | C | . | . | trans | -94.4 | 139.8 | 177.3 | -177.2 | 63.4 | 0 | 0 | 0 | 112 | P71 Y105 N109 V110 W111 T318 | P71-D107 HydrophobicContact CB-CB 3.76Å; P71-D107 HydrophobicContact CG-CB 3.53Å; Y105-D107 PolarHBondContact O-N 3.46Å; D107-N109 PolarHBondContact O-N 3.27Å; D107-N109 WeakPolarHBondContact OD2-CA 3.48Å; D107-N109 VanDerWaalsContact OD2-CB 3.23Å; D107-N109 WeakPolarHBondContact OD2-CB 3.46Å; D107-N109 PolarHBondContact OD2-N 3.13Å; D107-N109 PolarHBondContact OD2-ND2 3.05Å; D107-N109 VanDerWaalsContact OD2-ND2 3.13Å; D107-V110 HydrophobicContact CB-CB 4.47Å; D107-V110 HydrophobicContact CB-CG2 4.04Å; D107-V110 PolarHBondContact O-N 3.31Å; D107-V110 PolarHBondContact OD2-N 3.27Å; D107-W111 VanDerWaalsContact O-CD1 3.22Å; D107-W111 PolarHBondContact O-N 3.07Å; D107-T318 HydrophobicContact CB-CG2 4.03Å | ||
| 108 | I | 96.7 | Very high | 96.8 | Very high | 17 Ų | 17 | 30.7 Ų | 30.7 | 9% | 0.087 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.5 | -36.3 | -178.2 | -169 | 166.5 | 0 | 0 | 0 | 112.7 | V110 W111 L112 G150 M153 L154 | I108-V110 VanDerWaalsContact C-N 3.32Å; I108-V110 PolarHBondContact O-N 3.03Å; I108-W111 WeakPolarHBondContact O-CB 3.45Å; I108-W111 PolarHBondContact O-N 3.42Å; I108-W111 VanDerWaalsContact O-N 3.15Å; I108-L112 HydrophobicContact CG1-CD1 4.34Å; I108-L112 HydrophobicContact CG1-CG 4.31Å; I108-L112 WeakPolarHBondContact O-CG 3.46Å; I108-L112 PolarHBondContact O-N 3.08Å; I108-G150 WeakPolarHBondContact CD1-O 3.4Å; I108-M153 HydrophobicContact CD1-CE 4.18Å; I108-L154 HydrophobicContact CD1-CD1 4.37Å; I108-L154 HydrophobicContact CG1-CD1 4.17Å; I108-L154 HydrophobicContact CG1-CG 4.34Å |
| 109 | N | 98 | Very high | 96.6 | Very high | 75 Ų | 75 | 32.9 Ų | 32.9 | 40% | 0.401 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -69.7 | -35.2 | -177.3 | -52.8 | -68 | 0 | 0 | 0 | 110.9 | L75 D107 W111 L112 E113 | L75-N109 HydrophobicContact CD1-CB 3.93Å; D107-N109 PolarHBondContact O-N 3.27Å; D107-N109 WeakPolarHBondContact OD2-CA 3.48Å; D107-N109 VanDerWaalsContact OD2-CB 3.23Å; D107-N109 WeakPolarHBondContact OD2-CB 3.46Å; D107-N109 PolarHBondContact OD2-N 3.13Å; D107-N109 PolarHBondContact OD2-ND2 3.05Å; D107-N109 VanDerWaalsContact OD2-ND2 3.13Å; N109-W111 VanDerWaalsContact C-N 3.31Å; N109-W111 PolarHBondContact O-N 3.45Å; N109-L112 PolarHBondContact O-N 3.09Å; N109-E113 WeakPolarHBondContact O-CG 3.27Å; N109-E113 PolarHBondContact O-N 3.25Å |
| 110 | V | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.9 | -42.5 | 171.6 | -179.9 | 0 | 0 | 0 | 0 | 110.8 | P71 L75 F98 A101 I102 D107 I108 Y114 | P71-V110 HydrophobicContact CB-CG2 4.06Å; L75-V110 HydrophobicContact CD2-CG2 4.18Å; L75-V110 HydrophobicContact CG-CG2 4.19Å; F98-V110 HydrophobicContact CD1-CG1 4.2Å; A101-V110 HydrophobicContact CB-CG1 3.74Å; I102-V110 HydrophobicContact CG1-CG1 3.95Å; D107-V110 HydrophobicContact CB-CB 4.47Å; D107-V110 HydrophobicContact CB-CG2 4.04Å; D107-V110 PolarHBondContact O-N 3.31Å; D107-V110 PolarHBondContact OD2-N 3.27Å; I108-V110 VanDerWaalsContact C-N 3.32Å; I108-V110 PolarHBondContact O-N 3.03Å; V110-Y114 WeakPolarHBondContact O-CB 3.38Å; V110-Y114 PolarHBondContact O-N 3.15Å |
| 111 | W | 98.2 | Very high | 96 | Very high | 7 Ų | 7 | 31.8 Ų | 31.8 | 3% | 0.027 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.3 | -40.1 | 174.8 | -78.2 | 112.8 | 0 | 0 | 0 | 113.3 | I102 D107 I108 N109 Y114 C115 S139 A140 H143 L154 | I102-W111 HydrophobicContact CB-CZ2 4.46Å; I102-W111 HydrophobicContact CD1-CD2 3.91Å; I102-W111 HydrophobicContact CD1-CE3 3.84Å; I102-W111 HydrophobicContact CD1-CH2 3.52Å; I102-W111 HydrophobicContact CD1-CZ2 3.6Å; I102-W111 HydrophobicContact CD1-CZ3 3.65Å; I102-W111 HydrophobicContact CG1-CD2 4.35Å; I102-W111 HydrophobicContact CG1-CH2 4.42Å; I102-W111 HydrophobicContact CG1-CZ2 4.02Å; I102-W111 HydrophobicContact CG2-CH2 4.33Å; I102-W111 HydrophobicContact CG2-CZ2 3.62Å; D107-W111 VanDerWaalsContact O-CD1 3.22Å; D107-W111 PolarHBondContact O-N 3.07Å; I108-W111 WeakPolarHBondContact O-CB 3.45Å; I108-W111 PolarHBondContact O-N 3.42Å; I108-W111 VanDerWaalsContact O-N 3.15Å; N109-W111 VanDerWaalsContact C-N 3.31Å; N109-W111 PolarHBondContact O-N 3.45Å; W111-Y114 AromaticContact CE3-CD1 3.84Å; W111-Y114 HydrophobicContact CE3-CD1 3.84Å; W111-Y114 AromaticContact CZ3-CD1 3.67Å; W111-Y114 HydrophobicContact CZ3-CD1 3.67Å; W111-Y114 HydrophobicContact CZ3-CE1 4.02Å; W111-Y114 PolarHBondContact O-N 3.02Å; W111-C115 WeakPolarHBondContact O-CB 3.44Å; W111-C115 PolarHBondContact O-N 3.34Å; W111-C115 PolarHBondContact O-SG 3.44Å; W111-S139 VanDerWaalsContact CH2-OG 3.23Å; W111-S139 WeakPolarHBondContact CH2-OG 3.39Å; W111-A140 HydrophobicContact CB-CB 4.2Å; W111-A140 HydrophobicContact CD2-CB 3.84Å; W111-A140 HydrophobicContact CE3-CB 3.46Å; W111-A140 VanDerWaalsContact CE3-CB 3.46Å; W111-A140 HydrophobicContact CG-CB 4.19Å; W111-A140 HydrophobicContact CZ3-CB 4.09Å; W111-H143 HydrophobicContact CZ2-CB 4.24Å; W111-H143 AromaticContact CZ2-CG 3.9Å; W111-H143 AromaticContact CZ2-ND1 3.65Å; W111-L154 HydrophobicContact CB-CD1 4.49Å; W111-L154 HydrophobicContact CB-CD2 3.94Å |
| 112 | L | 98 | Very high | 95.6 | Very high | 17 Ų | 17 | 32.4 Ų | 32.4 | 9% | 0.089 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.1 | -48.4 | 176.7 | -69.5 | 170.3 | 0 | 0 | 0 | 110.9 | I108 N109 Y114 C115 H116 M153 L154 I157 | I108-L112 HydrophobicContact CG1-CD1 4.34Å; I108-L112 HydrophobicContact CG1-CG 4.31Å; I108-L112 WeakPolarHBondContact O-CG 3.46Å; I108-L112 PolarHBondContact O-N 3.08Å; N109-L112 PolarHBondContact O-N 3.09Å; L112-Y114 VanDerWaalsContact C-N 3.29Å; L112-Y114 PolarHBondContact O-N 3.19Å; L112-C115 WeakPolarHBondContact O-CB 3.39Å; L112-C115 PolarHBondContact O-N 3.29Å; L112-H116 PolarHBondContact O-CD2 3.06Å; L112-H116 VanDerWaalsContact O-CD2 3.27Å; L112-H116 PolarHBondContact O-N 3.47Å; L112-M153 HydrophobicContact CD1-CB 4.24Å; L112-M153 HydrophobicContact CD1-CE 4.13Å; L112-M153 HydrophobicContact CD1-SD 4.04Å; L112-M153 HydrophobicContact CD2-CB 3.67Å; L112-L154 HydrophobicContact CD2-CD2 3.67Å; L112-L154 HydrophobicContact CD2-CG 4.02Å; L112-L154 HydrophobicContact CG-CD2 4.15Å; L112-I157 HydrophobicContact CB-CD1 4.48Å; L112-I157 HydrophobicContact CD2-CD1 3.44Å; L112-I157 VanDerWaalsContact CD2-CD1 3.44Å |
| 113 | E | 97.5 | Very high | 95.2 | Very high | 86 Ų | 86 | 35.5 Ų | 35.5 | 40% | 0.402 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64.8 | -34.3 | 176 | -70.1 | -58.2 | 145.4 | 0 | 0 | 112.1 | L75 F98 N109 H116 F117 | L75-E113 HydrophobicContact CD2-CB 3.97Å; L75-E113 HydrophobicContact CD2-CG 3.71Å; F98-E113 HydrophobicContact CE1-CB 3.78Å; F98-E113 HydrophobicContact CZ-CB 4.09Å; F98-E113 WeakPolarHBondContact CZ-O 3.46Å; N109-E113 WeakPolarHBondContact O-CG 3.27Å; N109-E113 PolarHBondContact O-N 3.25Å; E113-H116 PolarHBondContact O-N 3.49Å; E113-F117 WeakPolarHBondContact O-CB 3.35Å; E113-F117 PolarHBondContact O-N 3.19Å |
| 114 | Y | 98 | Very high | 94.9 | Very high | 11 Ų | 11 | 34 Ų | 34 | 4% | 0.043 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.7 | -39.4 | 175.7 | -168.4 | -162.8 | 0 | 0 | 0 | 112 | E95 F98 I102 V110 W111 L112 F117 A118 I136 | E95-Y114 HydrophobicContact CG-CE2 3.83Å; E95-Y114 WeakPolarHBondContact CG-OH 3.48Å; E95-Y114 PolarHBondContact OE1-OH 3.11Å; F98-Y114 HydrophobicContact CB-CD1 4.09Å; F98-Y114 HydrophobicContact CB-CD2 3.8Å; F98-Y114 HydrophobicContact CB-CE1 4.35Å; F98-Y114 HydrophobicContact CB-CE2 4.08Å; F98-Y114 HydrophobicContact CB-CG 3.82Å; F98-Y114 HydrophobicContact CD1-CD2 4.16Å; F98-Y114 AromaticContact CD1-CG 3.92Å; F98-Y114 HydrophobicContact CD1-CG 3.92Å; F98-Y114 AromaticContact CD2-CD2 3.6Å; F98-Y114 HydrophobicContact CD2-CD2 3.6Å; F98-Y114 HydrophobicContact CD2-CE2 4.17Å; F98-Y114 HydrophobicContact CD2-CG 4.2Å; F98-Y114 VanDerWaalsContact CE1-N 3.29Å; F98-Y114 HydrophobicContact CE2-CD2 4.14Å; F98-Y114 HydrophobicContact CG-CD1 4.47Å; F98-Y114 AromaticContact CG-CD2 3.59Å; F98-Y114 HydrophobicContact CG-CD2 3.59Å; F98-Y114 HydrophobicContact CG-CE2 4.27Å; F98-Y114 AromaticContact CG-CG 3.74Å; F98-Y114 HydrophobicContact CG-CG 3.74Å; I102-Y114 HydrophobicContact CD1-CD1 3.86Å; I102-Y114 HydrophobicContact CD1-CE1 4.28Å; V110-Y114 WeakPolarHBondContact O-CB 3.38Å; V110-Y114 PolarHBondContact O-N 3.15Å; W111-Y114 AromaticContact CE3-CD1 3.84Å; W111-Y114 HydrophobicContact CE3-CD1 3.84Å; W111-Y114 AromaticContact CZ3-CD1 3.67Å; W111-Y114 HydrophobicContact CZ3-CD1 3.67Å; W111-Y114 HydrophobicContact CZ3-CE1 4.02Å; W111-Y114 PolarHBondContact O-N 3.02Å; L112-Y114 VanDerWaalsContact C-N 3.29Å; L112-Y114 PolarHBondContact O-N 3.19Å; Y114-F117 HydrophobicContact CD2-CD1 4.05Å; Y114-F117 HydrophobicContact CE2-CD1 4.12Å; Y114-F117 WeakPolarHBondContact O-CB 3.47Å; Y114-F117 PolarHBondContact O-N 3.49Å; Y114-A118 WeakPolarHBondContact O-CB 3.43Å; Y114-A118 PolarHBondContact O-N 3.18Å; Y114-I136 HydrophobicContact CD1-CG2 3.76Å; Y114-I136 HydrophobicContact CD2-CG2 4.17Å; Y114-I136 HydrophobicContact CE1-CG1 4.33Å; Y114-I136 HydrophobicContact CE1-CG2 3.76Å; Y114-I136 HydrophobicContact CE2-CD1 3.8Å; Y114-I136 HydrophobicContact CE2-CG1 4.33Å; Y114-I136 HydrophobicContact CE2-CG2 4.15Å; Y114-I136 HydrophobicContact CG-CG2 3.96Å |
| 115 | C | 97.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.8 | -43.9 | 172.6 | -72.6 | 0 | 0 | 0 | 0 | 111.6 | W111 L112 F117 A118 I119 F137 I157 | W111-C115 WeakPolarHBondContact O-CB 3.44Å; W111-C115 PolarHBondContact O-N 3.34Å; W111-C115 PolarHBondContact O-SG 3.44Å; L112-C115 WeakPolarHBondContact O-CB 3.39Å; L112-C115 PolarHBondContact O-N 3.29Å; C115-F117 VanDerWaalsContact C-N 3.34Å; C115-F117 PolarHBondContact O-N 3.37Å; C115-A118 WeakPolarHBondContact O-CB 3.36Å; C115-A118 PolarHBondContact O-N 3.28Å; C115-I119 WeakPolarHBondContact O-CG1 3.44Å; C115-I119 PolarHBondContact O-N 2.95Å; C115-F137 HydrophobicContact CB-CD1 4.08Å; C115-F137 HydrophobicContact CB-CE1 3.49Å; C115-F137 VanDerWaalsContact CB-CE1 3.49Å; C115-F137 HydrophobicContact CB-CZ 3.98Å; C115-F137 VanDerWaalsContact SG-CD1 3.53Å; C115-I157 HydrophobicContact CB-CG2 4.28Å |
| 116 | H | 96.6 | Very high | 94.1 | Very high | 84 Ų | 84 | 40.2 Ų | 40.2 | 39% | 0.389 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62 | -40.9 | 173.8 | -75.3 | -50.3 | 0 | 0 | 0 | 112.4 | L112 E113 I119 S120 I157 | L112-H116 PolarHBondContact O-CD2 3.06Å; L112-H116 VanDerWaalsContact O-CD2 3.27Å; L112-H116 PolarHBondContact O-N 3.47Å; E113-H116 PolarHBondContact O-N 3.49Å; H116-I119 PolarHBondContact O-N 3.48Å; H116-S120 PolarHBondContact O-N 3.27Å; H116-I157 WeakPolarHBondContact NE2-CD1 3.46Å |
| 117 | F | 95.6 | Very high | 93.8 | Very high | 11 Ų | 11 | 42.2 Ų | 42.2 | 5% | 0.048 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.8 | -48.6 | 172.4 | 173.1 | -103.7 | 0 | 0 | 0 | 111.1 | L82 K91 V94 E95 F98 E113 Y114 C115 I119 S120 T121 | L82-F117 HydrophobicContact CD2-CD2 3.63Å; L82-F117 HydrophobicContact CD2-CE2 3.94Å; K91-F117 HydrophobicContact CB-CE2 4.35Å; K91-F117 HydrophobicContact CB-CZ 4.14Å; K91-F117 HydrophobicContact CG-CE2 4.46Å; K91-F117 VanDerWaalsContact O-CZ 3.27Å; K91-F117 WeakPolarHBondContact O-CZ 3.28Å; V94-F117 HydrophobicContact CB-CE2 4.25Å; V94-F117 HydrophobicContact CB-CZ 4.39Å; V94-F117 HydrophobicContact CG1-CD2 4.3Å; V94-F117 HydrophobicContact CG1-CE2 4.07Å; V94-F117 HydrophobicContact CG1-CZ 4.44Å; E95-F117 HydrophobicContact CB-CE1 3.99Å; E95-F117 HydrophobicContact CB-CZ 4.49Å; E95-F117 HydrophobicContact CG-CE1 4.29Å; F98-F117 HydrophobicContact CD2-CD1 4.23Å; F98-F117 HydrophobicContact CD2-CG 4.38Å; F98-F117 HydrophobicContact CE2-CB 3.59Å; F98-F117 AromaticContact CE2-CD1 4Å; F98-F117 HydrophobicContact CE2-CD1 4Å; F98-F117 HydrophobicContact CE2-CD2 4.29Å; F98-F117 AromaticContact CE2-CG 3.69Å; F98-F117 HydrophobicContact CE2-CG 3.69Å; F98-F117 HydrophobicContact CZ-CB 3.94Å; E113-F117 WeakPolarHBondContact O-CB 3.35Å; E113-F117 PolarHBondContact O-N 3.19Å; Y114-F117 HydrophobicContact CD2-CD1 4.05Å; Y114-F117 HydrophobicContact CE2-CD1 4.12Å; Y114-F117 WeakPolarHBondContact O-CB 3.47Å; Y114-F117 PolarHBondContact O-N 3.49Å; C115-F117 VanDerWaalsContact C-N 3.34Å; C115-F117 PolarHBondContact O-N 3.37Å; F117-I119 VanDerWaalsContact C-N 3.3Å; F117-I119 PolarHBondContact O-N 3.21Å; F117-S120 WeakPolarHBondContact O-CB 3.44Å; F117-S120 PolarHBondContact O-N 3.41Å; F117-S120 PolarHBondContact O-OG 2.78Å; F117-T121 HydrophobicContact CD1-CG2 4.47Å; F117-T121 HydrophobicContact CD2-CG2 3.99Å; F117-T121 HydrophobicContact CE1-CG2 4.04Å; F117-T121 HydrophobicContact CE2-CG2 3.52Å; F117-T121 HydrophobicContact CG-CG2 4.46Å; F117-T121 HydrophobicContact CZ-CG2 3.54Å; F117-T121 WeakPolarHBondContact O-CG2 3.5Å; F117-T121 PolarHBondContact O-N 3.36Å; F117-T121 PolarHBondContact O-OG1 2.89Å; F117-T121 VanDerWaalsContact O-OG1 3.13Å |
| 118 | A | 94.5 | Very high | 93.6 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.008 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -55.9 | -44.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y114 C115 T121 S122 A133 I136 | Y114-A118 WeakPolarHBondContact O-CB 3.43Å; Y114-A118 PolarHBondContact O-N 3.18Å; C115-A118 WeakPolarHBondContact O-CB 3.36Å; C115-A118 PolarHBondContact O-N 3.28Å; A118-T121 PolarHBondContact O-N 3.45Å; A118-T121 PolarHBondContact O-OG1 3Å; A118-T121 VanDerWaalsContact O-OG1 3.07Å; A118-S122 WeakPolarHBondContact O-CB 3.48Å; A118-S122 PolarHBondContact O-N 3.29Å; A118-A133 HydrophobicContact CB-CB 4.26Å; A118-I136 HydrophobicContact CB-CB 4.34Å; A118-I136 HydrophobicContact CB-CD1 3.71Å; A118-I136 HydrophobicContact CB-CG2 4.25Å |
| 119 | I | 93.4 | Very high | 93.3 | Very high | 45 Ų | 45 | 46.1 Ų | 46.1 | 23% | 0.231 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59 | -48.4 | 173.9 | -64.1 | 165.4 | 0 | 0 | 0 | 110.7 | C115 H116 F117 T121 S122 F137 I157 Y161 | C115-I119 WeakPolarHBondContact O-CG1 3.44Å; C115-I119 PolarHBondContact O-N 2.95Å; H116-I119 PolarHBondContact O-N 3.48Å; F117-I119 VanDerWaalsContact C-N 3.3Å; F117-I119 PolarHBondContact O-N 3.21Å; I119-T121 PolarHBondContact O-N 3.14Å; I119-S122 PolarHBondContact O-N 3.33Å; I119-F137 HydrophobicContact CD1-CZ 3.93Å; I119-F137 HydrophobicContact CG1-CE2 4.25Å; I119-F137 HydrophobicContact CG1-CZ 3.87Å; I119-I157 HydrophobicContact CD1-CG2 3.49Å; I119-I157 VanDerWaalsContact CD1-CG2 3.49Å; I119-Y161 HydrophobicContact CG1-CD2 3.77Å; I119-Y161 HydrophobicContact CG1-CG 4.33Å |
| 120 | S | 90.9 | Very high | 93 | Very high | 75 Ų | 75 | 43.6 Ų | 43.6 | 52% | 0.524 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.9 | -26.4 | -177.4 | 80.4 | 0 | 0 | 0 | 0 | 113.8 | H116 F117 | H116-S120 PolarHBondContact O-N 3.27Å; F117-S120 WeakPolarHBondContact O-CB 3.44Å; F117-S120 PolarHBondContact O-N 3.41Å; F117-S120 PolarHBondContact O-OG 2.78Å |
| 121 | T | 90.5 | Very high | 92.8 | Very high | 55 Ų | 55 | 49.3 Ų | 49.3 | 34% | 0.337 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -94.2 | -13.2 | 179 | 57 | 0 | 0 | 0 | 0 | 113.6 | K91 F117 A118 I119 D123 | K91-T121 HydrophobicContact CD-CG2 3.93Å; F117-T121 HydrophobicContact CD1-CG2 4.47Å; F117-T121 HydrophobicContact CD2-CG2 3.99Å; F117-T121 HydrophobicContact CE1-CG2 4.04Å; F117-T121 HydrophobicContact CE2-CG2 3.52Å; F117-T121 HydrophobicContact CG-CG2 4.46Å; F117-T121 HydrophobicContact CZ-CG2 3.54Å; F117-T121 WeakPolarHBondContact O-CG2 3.5Å; F117-T121 PolarHBondContact O-N 3.36Å; F117-T121 PolarHBondContact O-OG1 2.89Å; F117-T121 VanDerWaalsContact O-OG1 3.13Å; A118-T121 PolarHBondContact O-N 3.45Å; A118-T121 PolarHBondContact O-OG1 3Å; A118-T121 VanDerWaalsContact O-OG1 3.07Å; I119-T121 PolarHBondContact O-N 3.14Å; T121-D123 PolarHBondContact O-N 3.48Å |
| 122 | S | 89.6 | Confident | 92.6 | Very high | 13 Ų | 13 | 55 Ų | 55 | 9% | 0.091 | 31% | 0.308 | C | S | . | . | trans | -75.3 | 125.8 | -173.1 | -164.2 | 0 | 0 | 0 | 0 | 111.5 | A118 I119 S129 Y161 | A118-S122 WeakPolarHBondContact O-CB 3.48Å; A118-S122 PolarHBondContact O-N 3.29Å; I119-S122 PolarHBondContact O-N 3.33Å; S122-S129 VanDerWaalsContact CA-OG 3.25Å; S122-S129 WeakPolarHBondContact CA-OG 3.35Å; S122-S129 PolarHBondContact OG-OG 3.09Å; S122-Y161 PolarHBondContact OG-OH 3.3Å | ||
| 123 | D | 89 | Confident | 92.5 | Very high | 84 Ų | 84 | 54.4 Ų | 54.4 | 45% | 0.449 | 31% | 0.306 | S | S | . | . | trans | -86.2 | 104.7 | 165.1 | -179.7 | 1.7 | 0 | 0 | 0 | 109.6 | T121 S125 S126 S129 | T121-D123 PolarHBondContact O-N 3.48Å; D123-S125 PolarHBondContact O-N 3.47Å; D123-S125 VanDerWaalsContact O-N 3.09Å; D123-S125 WeakPolarHBondContact OD1-CB 3.39Å; D123-S125 PolarHBondContact OD1-N 3.01Å; D123-S125 PolarHBondContact OD1-OG 3.35Å; D123-S125 PolarHBondContact OD2-OG 2.98Å; D123-S125 VanDerWaalsContact OD2-OG 3.1Å; D123-S126 PolarHBondContact O-N 2.84Å; D123-S129 PolarHBondContact N-OG 2.92Å; D123-S129 WeakPolarHBondContact O-CB 3.36Å | ||
| 124 | F | 88.7 | Confident | 92.4 | Very high | 61 Ų | 61 | 51.8 Ų | 51.8 | 27% | 0.268 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -13.3 | 179.2 | -61.5 | -77.2 | 0 | 0 | 0 | 114.2 | Y161 V164 V165 Q168 | F124-Y161 HydrophobicContact CD1-CE2 4.45Å; F124-Y161 HydrophobicContact CE1-CD2 4.03Å; F124-Y161 AromaticContact CE1-CE2 3.55Å; F124-Y161 HydrophobicContact CE1-CE2 3.55Å; F124-Y161 HydrophobicContact CZ-CD2 4.48Å; F124-Y161 HydrophobicContact CZ-CE2 4.16Å; F124-V164 HydrophobicContact CD1-CG1 4.21Å; F124-V164 HydrophobicContact CE1-CB 4.27Å; F124-V164 HydrophobicContact CE1-CG1 3.6Å; F124-V164 HydrophobicContact CE2-CG1 4.15Å; F124-V164 HydrophobicContact CZ-CB 4.48Å; F124-V164 HydrophobicContact CZ-CG1 3.57Å; F124-V165 HydrophobicContact CD1-CG2 3.84Å; F124-V165 HydrophobicContact CE1-CG2 3.96Å; F124-Q168 HydrophobicContact CB-CB 4.22Å; F124-Q168 HydrophobicContact CB-CG 4.07Å; F124-Q168 HydrophobicContact CG-CG 4.27Å |
| 125 | S | 85.5 | Confident | 92.4 | Very high | 105 Ų | 105 | 55.7 Ų | 55.7 | 73% | 0.734 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -18.2 | 173.6 | 74.8 | 0 | 0 | 0 | 0 | 113 | D123 | D123-S125 PolarHBondContact O-N 3.47Å; D123-S125 VanDerWaalsContact O-N 3.09Å; D123-S125 WeakPolarHBondContact OD1-CB 3.39Å; D123-S125 PolarHBondContact OD1-N 3.01Å; D123-S125 PolarHBondContact OD1-OG 3.35Å; D123-S125 PolarHBondContact OD2-OG 2.98Å; D123-S125 VanDerWaalsContact OD2-OG 3.1Å |
| 126 | S | 89.9 | Confident | 92.4 | Very high | 40 Ų | 40 | 56.7 Ų | 56.7 | 28% | 0.28 | 32% | 0.323 | S | S | . | . | trans | -102.7 | 117.9 | -177.1 | 177.1 | 0 | 0 | 0 | 0 | 111.6 | D123 D128 S129 I130 | D123-S126 PolarHBondContact O-N 2.84Å; S126-D128 PolarHBondContact O-N 3.37Å; S126-S129 PolarHBondContact O-N 2.88Å; S126-S129 PolarHBondContact OG-N 2.93Å; S126-I130 WeakPolarHBondContact O-CG1 3.48Å; S126-I130 PolarHBondContact O-N 3.33Å; S126-I130 VanDerWaalsContact O-N 3.11Å | ||
| 127 | A | 88.3 | Confident | 92.5 | Very high | 76 Ų | 76 | 52.8 Ų | 52.8 | 63% | 0.628 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -58.9 | -36.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S129 I130 Q131 | A127-S129 VanDerWaalsContact C-N 3.35Å; A127-S129 PolarHBondContact O-N 3.44Å; A127-I130 PolarHBondContact O-N 3.35Å; A127-Q131 PolarHBondContact O-N 2.98Å |
| 128 | D | 90.9 | Very high | 92.6 | Very high | 104 Ų | 104 | 55.5 Ų | 55.5 | 56% | 0.556 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -65.7 | -38.8 | 178.8 | -66.6 | -17.9 | 0 | 0 | 0 | 111.6 | S126 Q131 Q132 | S126-D128 PolarHBondContact O-N 3.37Å; D128-Q131 PolarHBondContact O-N 3.48Å; D128-Q132 VanDerWaalsContact O-CG 3.28Å; D128-Q132 WeakPolarHBondContact O-CG 3.39Å; D128-Q132 PolarHBondContact O-N 3.01Å |
| 129 | S | 91 | Very high | 92.7 | Very high | 18 Ų | 18 | 57.3 Ų | 57.3 | 13% | 0.126 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.1 | -41.8 | 177 | -174.8 | 0 | 0 | 0 | 0 | 111.3 | S122 D123 S126 A127 Q131 Q132 A133 | S122-S129 VanDerWaalsContact CA-OG 3.25Å; S122-S129 WeakPolarHBondContact CA-OG 3.35Å; S122-S129 PolarHBondContact OG-OG 3.09Å; D123-S129 PolarHBondContact N-OG 2.92Å; D123-S129 WeakPolarHBondContact O-CB 3.36Å; S126-S129 PolarHBondContact O-N 2.88Å; S126-S129 PolarHBondContact OG-N 2.93Å; A127-S129 VanDerWaalsContact C-N 3.35Å; A127-S129 PolarHBondContact O-N 3.44Å; S129-Q131 VanDerWaalsContact C-N 3.32Å; S129-Q131 PolarHBondContact O-N 3.46Å; S129-Q132 PolarHBondContact O-N 3Å; S129-A133 PolarHBondContact O-N 2.89Å |
| 130 | I | 92.4 | Very high | 92.9 | Very high | 22 Ų | 22 | 55.1 Ų | 55.1 | 11% | 0.113 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.7 | -45.9 | 176.2 | -65.3 | 165.8 | 0 | 0 | 0 | 110.1 | S126 A127 Q132 A133 E134 Y161 V165 | S126-I130 WeakPolarHBondContact O-CG1 3.48Å; S126-I130 PolarHBondContact O-N 3.33Å; S126-I130 VanDerWaalsContact O-N 3.11Å; A127-I130 PolarHBondContact O-N 3.35Å; I130-Q132 PolarHBondContact O-N 3.22Å; I130-A133 PolarHBondContact O-N 3.41Å; I130-E134 HydrophobicContact CG2-CG 4.37Å; I130-E134 WeakPolarHBondContact O-CG 3.37Å; I130-E134 PolarHBondContact O-N 3.43Å; I130-Y161 WeakPolarHBondContact CA-OH 3.35Å; I130-V165 HydrophobicContact CD1-CG1 3.99Å; I130-V165 HydrophobicContact CG1-CG2 4.44Å; I130-V165 HydrophobicContact CG2-CG1 4.39Å; I130-V165 HydrophobicContact CG2-CG2 4.32Å |
| 131 | Q | 93.7 | Very high | 93.3 | Very high | 121 Ų | 121 | 52 Ų | 52 | 57% | 0.565 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -62.9 | -39.4 | 178.3 | -171.9 | 177.6 | 3.4 | 0 | 0 | 112.3 | A127 D128 S129 E134 V135 | A127-Q131 PolarHBondContact O-N 2.98Å; D128-Q131 PolarHBondContact O-N 3.48Å; S129-Q131 VanDerWaalsContact C-N 3.32Å; S129-Q131 PolarHBondContact O-N 3.46Å; Q131-E134 PolarHBondContact O-N 2.87Å; Q131-V135 WeakPolarHBondContact O-CG2 3.32Å; Q131-V135 PolarHBondContact O-N 3Å |
| 132 | Q | 93.8 | Very high | 93.5 | Very high | 127 Ų | 127 | 53 Ų | 53 | 59% | 0.593 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -62.3 | -44.4 | 175.8 | -74.9 | 169.5 | 38.5 | 0 | 0 | 111.9 | D128 S129 I130 V135 I136 | D128-Q132 VanDerWaalsContact O-CG 3.28Å; D128-Q132 WeakPolarHBondContact O-CG 3.39Å; D128-Q132 PolarHBondContact O-N 3.01Å; S129-Q132 PolarHBondContact O-N 3Å; I130-Q132 PolarHBondContact O-N 3.22Å; Q132-V135 PolarHBondContact O-N 2.95Å; Q132-I136 PolarHBondContact O-N 3.44Å |
| 133 | A | 95.4 | Very high | 93.8 | Very high | 4 Ų | 4 | 55 Ų | 55 | 3% | 0.033 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.8 | -43 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A118 S129 I130 V135 I136 F137 Y161 | A118-A133 HydrophobicContact CB-CB 4.26Å; S129-A133 PolarHBondContact O-N 2.89Å; I130-A133 PolarHBondContact O-N 3.41Å; A133-V135 VanDerWaalsContact C-N 3.28Å; A133-V135 PolarHBondContact O-N 3.25Å; A133-I136 WeakPolarHBondContact O-CB 3.32Å; A133-I136 PolarHBondContact O-N 3.39Å; A133-F137 WeakPolarHBondContact O-CD2 3.36Å; A133-F137 PolarHBondContact O-N 3.24Å; A133-Y161 HydrophobicContact CB-CE1 4.1Å; A133-Y161 HydrophobicContact CB-CE2 4.34Å; A133-Y161 WeakPolarHBondContact CB-OH 3.35Å |
| 134 | E | 96 | Very high | 94.2 | Very high | 30 Ų | 30 | 51.1 Ų | 51.1 | 14% | 0.14 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.3 | -38.5 | 175.4 | -73.3 | -178.4 | 169.8 | 0 | 0 | 112.1 | I130 Q131 I136 F137 E138 Y158 Y161 K183 | I130-E134 HydrophobicContact CG2-CG 4.37Å; I130-E134 WeakPolarHBondContact O-CG 3.37Å; I130-E134 PolarHBondContact O-N 3.43Å; Q131-E134 PolarHBondContact O-N 2.87Å; E134-I136 VanDerWaalsContact C-N 3.32Å; E134-I136 PolarHBondContact O-N 2.87Å; E134-F137 PolarHBondContact O-N 3.11Å; E134-E138 WeakPolarHBondContact O-CB 3.44Å; E134-E138 WeakPolarHBondContact O-CG 3.46Å; E134-E138 PolarHBondContact O-N 3.21Å; E134-Y158 HydrophobicContact CG-CE2 4.28Å; E134-Y161 HydrophobicContact CG-CE1 4.43Å; E134-K183 IonicContact OE1-NZ 2.91Å; E134-K183 PolarHBondContact OE1-NZ 3.18Å; E134-K183 IonicContact OE2-NZ 2.86Å; E134-K183 PolarHBondContact OE2-NZ 3.39Å |
| 135 | V | 97.3 | Very high | 94.6 | Very high | 94 Ų | 94 | 48.2 Ų | 48.2 | 57% | 0.57 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -62.4 | -39.1 | 175 | 169.4 | 0 | 0 | 0 | 0 | 111.5 | Q131 Q132 A133 S139 | Q131-V135 WeakPolarHBondContact O-CG2 3.32Å; Q131-V135 PolarHBondContact O-N 3Å; Q132-V135 PolarHBondContact O-N 2.95Å; A133-V135 VanDerWaalsContact C-N 3.28Å; A133-V135 PolarHBondContact O-N 3.25Å; V135-S139 VanDerWaalsContact O-CB 3.25Å; V135-S139 WeakPolarHBondContact O-CB 3.37Å; V135-S139 PolarHBondContact O-N 3.09Å |
| 136 | I | 97.3 | Very high | 95.2 | Very high | 20 Ų | 20 | 45.4 Ų | 45.4 | 10% | 0.103 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.3 | -46.2 | 176.4 | -64.5 | 167.6 | 0 | 0 | 0 | 110.3 | Y114 A118 Q132 A133 E134 S139 A140 | Y114-I136 HydrophobicContact CD1-CG2 3.76Å; Y114-I136 HydrophobicContact CD2-CG2 4.17Å; Y114-I136 HydrophobicContact CE1-CG1 4.33Å; Y114-I136 HydrophobicContact CE1-CG2 3.76Å; Y114-I136 HydrophobicContact CE2-CD1 3.8Å; Y114-I136 HydrophobicContact CE2-CG1 4.33Å; Y114-I136 HydrophobicContact CE2-CG2 4.15Å; Y114-I136 HydrophobicContact CG-CG2 3.96Å; A118-I136 HydrophobicContact CB-CB 4.34Å; A118-I136 HydrophobicContact CB-CD1 3.71Å; A118-I136 HydrophobicContact CB-CG2 4.25Å; Q132-I136 PolarHBondContact O-N 3.44Å; A133-I136 WeakPolarHBondContact O-CB 3.32Å; A133-I136 PolarHBondContact O-N 3.39Å; E134-I136 VanDerWaalsContact C-N 3.32Å; E134-I136 PolarHBondContact O-N 2.87Å; I136-S139 WeakPolarHBondContact O-CB 3.41Å; I136-S139 PolarHBondContact O-N 2.98Å; I136-A140 PolarHBondContact O-N 3.4Å |
| 137 | F | 98.3 | Very high | 95.5 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.009 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61 | -48.6 | 177.1 | -80.2 | -69.3 | 0 | 0 | 0 | 112.7 | C115 I119 A133 E134 S139 A140 L141 I157 Y158 Y161 | C115-F137 HydrophobicContact CB-CD1 4.08Å; C115-F137 HydrophobicContact CB-CE1 3.49Å; C115-F137 VanDerWaalsContact CB-CE1 3.49Å; C115-F137 HydrophobicContact CB-CZ 3.98Å; C115-F137 VanDerWaalsContact SG-CD1 3.53Å; I119-F137 HydrophobicContact CD1-CZ 3.93Å; I119-F137 HydrophobicContact CG1-CE2 4.25Å; I119-F137 HydrophobicContact CG1-CZ 3.87Å; A133-F137 WeakPolarHBondContact O-CD2 3.36Å; A133-F137 PolarHBondContact O-N 3.24Å; E134-F137 PolarHBondContact O-N 3.11Å; F137-S139 VanDerWaalsContact C-N 3.27Å; F137-S139 PolarHBondContact O-N 3.4Å; F137-A140 WeakPolarHBondContact O-CB 3.33Å; F137-A140 PolarHBondContact O-N 3.24Å; F137-A140 VanDerWaalsContact O-N 3.17Å; F137-L141 WeakPolarHBondContact O-CG 3.47Å; F137-L141 PolarHBondContact O-N 3.3Å; F137-I157 HydrophobicContact CE1-CB 4.34Å; F137-I157 HydrophobicContact CE1-CG2 3.75Å; F137-I157 HydrophobicContact CZ-CG2 3.99Å; F137-Y158 HydrophobicContact CB-CD1 3.84Å; F137-Y158 HydrophobicContact CB-CD2 3.7Å; F137-Y158 HydrophobicContact CB-CE1 3.9Å; F137-Y158 HydrophobicContact CB-CE2 3.77Å; F137-Y158 HydrophobicContact CB-CG 3.75Å; F137-Y158 HydrophobicContact CD1-CD1 4.48Å; F137-Y158 AromaticContact CD1-CD2 3.85Å; F137-Y158 HydrophobicContact CD1-CD2 3.85Å; F137-Y158 AromaticContact CD1-CG 3.73Å; F137-Y158 HydrophobicContact CD1-CG 3.73Å; F137-Y158 AromaticContact CD2-CD2 3.63Å; F137-Y158 HydrophobicContact CD2-CD2 3.63Å; F137-Y158 AromaticContact CD2-CE2 3.9Å; F137-Y158 HydrophobicContact CD2-CE2 3.9Å; F137-Y158 HydrophobicContact CD2-CG 4.33Å; F137-Y158 HydrophobicContact CE1-CD2 4.37Å; F137-Y158 HydrophobicContact CE1-CG 4.41Å; F137-Y158 HydrophobicContact CE2-CD2 4.21Å; F137-Y158 HydrophobicContact CG-CD1 4.3Å; F137-Y158 AromaticContact CG-CD2 3.45Å; F137-Y158 HydrophobicContact CG-CD2 3.45Å; F137-Y158 VanDerWaalsContact CG-CD2 3.45Å; F137-Y158 AromaticContact CG-CE2 3.9Å; F137-Y158 HydrophobicContact CG-CE2 3.9Å; F137-Y158 AromaticContact CG-CG 3.69Å; F137-Y158 HydrophobicContact CG-CG 3.69Å; F137-Y161 HydrophobicContact CD2-CD1 4.03Å; F137-Y161 HydrophobicContact CD2-CE1 4.45Å; F137-Y161 HydrophobicContact CD2-CG 4.48Å; F137-Y161 AromaticContact CE2-CD1 3.63Å; F137-Y161 HydrophobicContact CE2-CD1 3.63Å; F137-Y161 HydrophobicContact CE2-CD2 4.26Å; F137-Y161 HydrophobicContact CE2-CE1 4.21Å; F137-Y161 AromaticContact CE2-CG 3.65Å; F137-Y161 HydrophobicContact CE2-CG 3.65Å; F137-Y161 HydrophobicContact CZ-CD1 4.47Å; F137-Y161 HydrophobicContact CZ-CG 4.14Å |
| 138 | E | 97.8 | Very high | 95.9 | Very high | 68 Ų | 68 | 40.6 Ų | 40.6 | 32% | 0.318 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.7 | -34.6 | 177.8 | -70.1 | -66.6 | 170.8 | 0 | 0 | 111.6 | E134 L141 S142 Y158 R190 | E134-E138 WeakPolarHBondContact O-CB 3.44Å; E134-E138 WeakPolarHBondContact O-CG 3.46Å; E134-E138 PolarHBondContact O-N 3.21Å; E138-L141 PolarHBondContact O-N 2.86Å; E138-S142 WeakPolarHBondContact O-CB 3.44Å; E138-S142 PolarHBondContact O-N 3.48Å; E138-S142 PolarHBondContact O-OG 3.15Å; E138-Y158 HydrophobicContact CG-CE1 4.45Å; E138-R190 IonicContact OE1-CZ 3.48Å; E138-R190 IonicContact OE1-NH1 3.51Å; E138-R190 PolarHBondContact OE1-NH1 3.33Å; E138-R190 IonicContact OE1-NH2 3.47Å; E138-R190 IonicContact OE2-CZ 3.8Å; E138-R190 IonicContact OE2-NH1 2.77Å; E138-R190 PolarHBondContact OE2-NH1 3.43Å; E138-R190 IonicContact OE2-NH2 2.68Å; E138-R190 PolarHBondContact OE2-NH2 2.86Å |
| 139 | S | 97 | Very high | 96.1 | Very high | 39 Ų | 39 | 38.9 Ų | 38.9 | 27% | 0.273 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.7 | -48.5 | 170.7 | -175.6 | 0 | 0 | 0 | 0 | 111.3 | W111 V135 I136 F137 L141 S142 H143 | W111-S139 VanDerWaalsContact CH2-OG 3.23Å; W111-S139 WeakPolarHBondContact CH2-OG 3.39Å; V135-S139 VanDerWaalsContact O-CB 3.25Å; V135-S139 WeakPolarHBondContact O-CB 3.37Å; V135-S139 PolarHBondContact O-N 3.09Å; I136-S139 WeakPolarHBondContact O-CB 3.41Å; I136-S139 PolarHBondContact O-N 2.98Å; F137-S139 VanDerWaalsContact C-N 3.27Å; F137-S139 PolarHBondContact O-N 3.4Å; S139-L141 VanDerWaalsContact C-N 3.34Å; S139-L141 PolarHBondContact O-N 3.28Å; S139-S142 PolarHBondContact O-N 3.3Å; S139-S142 VanDerWaalsContact O-N 3.16Å; S139-S142 PolarHBondContact O-OG 3.48Å; S139-H143 PolarHBondContact O-N 3.46Å; S139-H143 PolarHBondContact O-ND1 2.91Å |
| 140 | A | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59 | -45.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | W111 I136 F137 S142 H143 Q144 L154 | W111-A140 HydrophobicContact CB-CB 4.2Å; W111-A140 HydrophobicContact CD2-CB 3.84Å; W111-A140 HydrophobicContact CE3-CB 3.46Å; W111-A140 VanDerWaalsContact CE3-CB 3.46Å; W111-A140 HydrophobicContact CG-CB 4.19Å; W111-A140 HydrophobicContact CZ3-CB 4.09Å; I136-A140 PolarHBondContact O-N 3.4Å; F137-A140 WeakPolarHBondContact O-CB 3.33Å; F137-A140 PolarHBondContact O-N 3.24Å; F137-A140 VanDerWaalsContact O-N 3.17Å; A140-S142 VanDerWaalsContact C-N 3.31Å; A140-S142 PolarHBondContact O-N 3.32Å; A140-H143 PolarHBondContact O-N 3.33Å; A140-Q144 PolarHBondContact O-N 3Å; A140-L154 HydrophobicContact CB-CD1 4.3Å; A140-L154 HydrophobicContact CB-CD2 4.02Å |
| 141 | L | 98 | Very high | 96.4 | Very high | 10 Ų | 10 | 37.3 Ų | 37.3 | 5% | 0.052 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.2 | -33.9 | 176.8 | -68.4 | -174.1 | 0 | 0 | 0 | 113 | F137 E138 S139 H143 G145 L154 W155 Y158 L187 | F137-L141 WeakPolarHBondContact O-CG 3.47Å; F137-L141 PolarHBondContact O-N 3.3Å; E138-L141 PolarHBondContact O-N 2.86Å; S139-L141 VanDerWaalsContact C-N 3.34Å; S139-L141 PolarHBondContact O-N 3.28Å; L141-H143 VanDerWaalsContact C-N 3.3Å; L141-H143 PolarHBondContact O-N 3.4Å; L141-G145 WeakPolarHBondContact O-CA 3.43Å; L141-G145 PolarHBondContact O-N 2.86Å; L141-L154 HydrophobicContact CD2-CB 3.82Å; L141-W155 HydrophobicContact CD1-CD2 4.11Å; L141-W155 HydrophobicContact CD1-CE3 3.84Å; L141-W155 HydrophobicContact CD1-CH2 3.9Å; L141-W155 HydrophobicContact CD1-CZ2 4.14Å; L141-W155 HydrophobicContact CD1-CZ3 3.75Å; L141-W155 HydrophobicContact CD2-CD2 3.68Å; L141-W155 HydrophobicContact CD2-CE3 4.28Å; L141-W155 HydrophobicContact CD2-CG 3.92Å; L141-W155 HydrophobicContact CD2-CZ2 3.98Å; L141-W155 HydrophobicContact CG-CZ2 4.48Å; L141-Y158 HydrophobicContact CD1-CD1 3.82Å; L141-Y158 HydrophobicContact CD1-CE1 4.23Å; L141-L187 HydrophobicContact CD1-CD1 4.13Å |
| 142 | S | 96 | Very high | 96.5 | Very high | 74 Ų | 74 | 31.8 Ų | 31.8 | 52% | 0.517 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -68 | -28 | 177.6 | 74.2 | 0 | 0 | 0 | 0 | 113.9 | E138 S139 A140 | E138-S142 WeakPolarHBondContact O-CB 3.44Å; E138-S142 PolarHBondContact O-N 3.48Å; E138-S142 PolarHBondContact O-OG 3.15Å; S139-S142 PolarHBondContact O-N 3.3Å; S139-S142 VanDerWaalsContact O-N 3.16Å; S139-S142 PolarHBondContact O-OG 3.48Å; A140-S142 VanDerWaalsContact C-N 3.31Å; A140-S142 PolarHBondContact O-N 3.32Å |
| 143 | H | 95.4 | Very high | 96.7 | Very high | 56 Ų | 56 | 29.2 Ų | 29.2 | 26% | 0.259 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -94.4 | -47.1 | 179.3 | -64 | 82.8 | 0 | 0 | 0 | 111.5 | E106 W111 S139 A140 L141 C311 | E106-H143 IonicContact OE1-CD2 2.67Å; E106-H143 IonicContact OE2-CD2 3.52Å; E106-H143 PolarHBondContact OE2-CD2 3.36Å; E106-H143 IonicContact OE2-CG 3.25Å; W111-H143 HydrophobicContact CZ2-CB 4.24Å; W111-H143 AromaticContact CZ2-CG 3.9Å; W111-H143 AromaticContact CZ2-ND1 3.65Å; S139-H143 PolarHBondContact O-N 3.46Å; S139-H143 PolarHBondContact O-ND1 2.91Å; A140-H143 PolarHBondContact O-N 3.33Å; L141-H143 VanDerWaalsContact C-N 3.3Å; L141-H143 PolarHBondContact O-N 3.4Å; H143-C311 PolarHBondContact O-SG 3.15Å; H143-C311 VanDerWaalsContact O-SG 3.41Å |
| 144 | Q | 97.5 | Very high | 96.9 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.009 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -122.5 | -0.2 | -170 | -68.4 | -63.2 | -39.8 | 0 | 0 | 114.4 | E106 A140 L146 N147 G151 L154 | E106-Q144 PolarHBondContact O-NE2 2.99Å; E106-Q144 VanDerWaalsContact O-NE2 3.13Å; A140-Q144 PolarHBondContact O-N 3Å; Q144-L146 PolarHBondContact O-N 3Å; Q144-N147 WeakPolarHBondContact O-CB 3.39Å; Q144-N147 PolarHBondContact O-N 3.03Å; Q144-N147 PolarHBondContact OE1-ND2 3.14Å; Q144-G151 WeakPolarHBondContact O-CA 3.5Å; Q144-L154 HydrophobicContact CB-CD1 3.62Å |
| 145 | G | 97.1 | Very high | 97 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -20.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | L141 W155 H196 | L141-G145 WeakPolarHBondContact O-CA 3.43Å; L141-G145 PolarHBondContact O-N 2.86Å; G145-W155 PolarHBondContact O-NE1 2.92Å; G145-H196 PolarHBondContact O-CE1 2.68Å; G145-H196 PolarHBondContact O-NE2 3.02Å |
| 146 | L | 97.5 | Very high | 97 | Very high | 45 Ų | 45 | 25.4 Ų | 25.4 | 24% | 0.236 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 3.5 | 176.2 | -62.1 | 169.1 | 0 | 0 | 0 | 113.2 | Q144 V148 I194 N307 E308 C311 | Q144-L146 PolarHBondContact O-N 3Å; L146-V148 PolarHBondContact O-N 2.91Å; L146-I194 HydrophobicContact CD2-CD1 4.09Å; L146-I194 HydrophobicContact CD2-CG1 4.19Å; L146-I194 HydrophobicContact CD2-CG2 4Å; L146-N307 HydrophobicContact CD1-CB 3.82Å; L146-E308 HydrophobicContact CB-CG 4.3Å; L146-E308 HydrophobicContact CD1-CG 3.83Å; L146-E308 HydrophobicContact CD2-CG 4.14Å; L146-E308 HydrophobicContact CG-CG 4.32Å; L146-C311 HydrophobicContact CB-CB 4.4Å |
| 147 | N | 97.3 | Very high | 97 | Very high | 10 Ų | 10 | 25.2 Ų | 25.2 | 5% | 0.053 | 14% | 0.14 | C | C | . | . | trans | -69.1 | 116.6 | 174.7 | -178.1 | -28.9 | 0 | 0 | 0 | 109.4 | Q144 V149 G150 G151 H196 R315 | Q144-N147 WeakPolarHBondContact O-CB 3.39Å; Q144-N147 PolarHBondContact O-N 3.03Å; Q144-N147 PolarHBondContact OE1-ND2 3.14Å; N147-V149 PolarHBondContact O-N 3.2Å; N147-V149 PolarHBondContact OD1-N 3.34Å; N147-G150 PolarHBondContact OD1-N 3.18Å; N147-G151 WeakPolarHBondContact O-CA 3.4Å; N147-G151 PolarHBondContact O-N 3.47Å; N147-H196 PolarHBondContact O-CD2 3.17Å; N147-H196 VanDerWaalsContact O-CD2 3.24Å; N147-R315 PolarHBondContact OD1-NE 3.09Å | ||
| 148 | V | 96.6 | Very high | 97 | Very high | 6 Ų | 6 | 25.7 Ų | 25.7 | 4% | 0.036 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -39.2 | -172.3 | 178.8 | 0 | 0 | 0 | 0 | 112.3 | L146 L197 L243 I246 E250 | L146-V148 PolarHBondContact O-N 2.91Å; V148-L197 PolarHBondContact O-N 3.04Å; V148-L243 HydrophobicContact CG1-CD1 3.67Å; V148-I246 HydrophobicContact CG1-CG2 4.28Å; V148-I246 HydrophobicContact CG2-CD1 4.38Å; V148-I246 HydrophobicContact CG2-CG2 4.14Å; V148-E250 HydrophobicContact CG1-CG 4.32Å |
| 149 | V | 94.9 | Very high | 97 | Very high | 68 Ų | 68 | 23 Ų | 23 | 41% | 0.412 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | -49.2 | -173.9 | 179.1 | 0 | 0 | 0 | 0 | 111.1 | N147 L197 E250 | N147-V149 PolarHBondContact O-N 3.2Å; N147-V149 PolarHBondContact OD1-N 3.34Å; V149-L197 HydrophobicContact CB-CD1 4.28Å; V149-L197 HydrophobicContact CG1-CD1 4.11Å; V149-L197 HydrophobicContact CG2-CD1 4.25Å; V149-E250 HydrophobicContact CG2-CB 4.4Å; V149-E250 HydrophobicContact CG2-CG 4.27Å; V149-E250 WeakPolarHBondContact CG2-OE2 3.32Å |
| 150 | G | 92.5 | Very high | 96.9 | Very high | 6 Ų | 6 | 27 Ų | 27 | 6% | 0.062 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | -18.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | I108 N147 S152 M153 | I108-G150 WeakPolarHBondContact CD1-O 3.4Å; N147-G150 PolarHBondContact OD1-N 3.18Å; G150-S152 PolarHBondContact O-N 3.33Å; G150-M153 WeakPolarHBondContact O-CB 3.41Å; G150-M153 WeakPolarHBondContact O-CE 3.39Å; G150-M153 PolarHBondContact O-N 2.96Å; G150-M153 VanDerWaalsContact O-N 3.09Å |
| 151 | G | 96.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.5 | -30.5 | -167.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q144 N147 M153 L154 | Q144-G151 WeakPolarHBondContact O-CA 3.5Å; N147-G151 WeakPolarHBondContact O-CA 3.4Å; N147-G151 PolarHBondContact O-N 3.47Å; G151-M153 PolarHBondContact O-N 3.14Å; G151-L154 WeakPolarHBondContact O-CB 3.45Å; G151-L154 PolarHBondContact O-N 3.13Å; G151-L154 VanDerWaalsContact O-N 3.09Å |
| 152 | S | 97 | Very high | 96.7 | Very high | 6 Ų | 6 | 26.7 Ų | 26.7 | 4% | 0.042 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -55 | -34.5 | 177.4 | 57.2 | 0 | 0 | 0 | 0 | 114 | G150 L154 W155 E156 N198 | G150-S152 PolarHBondContact O-N 3.33Å; S152-L154 VanDerWaalsContact C-N 3.28Å; S152-L154 PolarHBondContact O-N 2.93Å; S152-W155 WeakPolarHBondContact O-CB 3.23Å; S152-W155 PolarHBondContact O-N 3.48Å; S152-W155 VanDerWaalsContact O-N 3.1Å; S152-E156 PolarHBondContact O-N 3.33Å; S152-N198 VanDerWaalsContact CB-CG 3.45Å; S152-N198 VanDerWaalsContact CB-ND2 3.3Å; S152-N198 WeakPolarHBondContact CB-ND2 3.44Å; S152-N198 WeakPolarHBondContact CB-OD1 3.44Å; S152-N198 PolarHBondContact OG-ND2 3.44Å; S152-N198 VanDerWaalsContact OG-ND2 3.13Å; S152-N198 PolarHBondContact OG-OD1 3.45Å |
| 153 | M | 97.9 | Very high | 96.6 | Very high | 73 Ų | 73 | 26 Ų | 26 | 36% | 0.36 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -60.9 | -36.9 | 178.1 | -64.8 | -177.5 | -81 | 0 | 0 | 111.9 | I108 L112 G150 G151 E156 I157 | I108-M153 HydrophobicContact CD1-CE 4.18Å; L112-M153 HydrophobicContact CD1-CB 4.24Å; L112-M153 HydrophobicContact CD1-CE 4.13Å; L112-M153 HydrophobicContact CD1-SD 4.04Å; L112-M153 HydrophobicContact CD2-CB 3.67Å; G150-M153 WeakPolarHBondContact O-CB 3.41Å; G150-M153 WeakPolarHBondContact O-CE 3.39Å; G150-M153 PolarHBondContact O-N 2.96Å; G150-M153 VanDerWaalsContact O-N 3.09Å; G151-M153 PolarHBondContact O-N 3.14Å; M153-E156 PolarHBondContact O-N 3.09Å; M153-I157 WeakPolarHBondContact O-CG1 3.33Å; M153-I157 PolarHBondContact O-N 3.17Å; M153-I157 VanDerWaalsContact O-N 3.1Å |
| 154 | L | 98.1 | Very high | 96.5 | Very high | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.9 | -38.5 | 176.2 | -68.9 | 169.3 | 0 | 0 | 0 | 111.7 | I108 W111 L112 A140 L141 Q144 G151 S152 E156 Y158 | I108-L154 HydrophobicContact CD1-CD1 4.37Å; I108-L154 HydrophobicContact CG1-CD1 4.17Å; I108-L154 HydrophobicContact CG1-CG 4.34Å; W111-L154 HydrophobicContact CB-CD1 4.49Å; W111-L154 HydrophobicContact CB-CD2 3.94Å; L112-L154 HydrophobicContact CD2-CD2 3.67Å; L112-L154 HydrophobicContact CD2-CG 4.02Å; L112-L154 HydrophobicContact CG-CD2 4.15Å; A140-L154 HydrophobicContact CB-CD1 4.3Å; A140-L154 HydrophobicContact CB-CD2 4.02Å; L141-L154 HydrophobicContact CD2-CB 3.82Å; Q144-L154 HydrophobicContact CB-CD1 3.62Å; G151-L154 WeakPolarHBondContact O-CB 3.45Å; G151-L154 PolarHBondContact O-N 3.13Å; G151-L154 VanDerWaalsContact O-N 3.09Å; S152-L154 VanDerWaalsContact C-N 3.28Å; S152-L154 PolarHBondContact O-N 2.93Å; L154-E156 VanDerWaalsContact C-N 3.34Å; L154-Y158 WeakPolarHBondContact O-CB 3.01Å; L154-Y158 PolarHBondContact O-N 3.49Å; L154-Y158 VanDerWaalsContact O-N 3.15Å |
| 155 | W | 98.3 | Very high | 96.3 | Very high | 6 Ų | 6 | 26.4 Ų | 26.4 | 2% | 0.023 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.4 | -41 | 175.3 | -63.5 | 93.5 | 0 | 0 | 0 | 110.9 | L141 G145 S152 Y158 R159 L187 R190 Q191 I194 H196 | L141-W155 HydrophobicContact CD1-CD2 4.11Å; L141-W155 HydrophobicContact CD1-CE3 3.84Å; L141-W155 HydrophobicContact CD1-CH2 3.9Å; L141-W155 HydrophobicContact CD1-CZ2 4.14Å; L141-W155 HydrophobicContact CD1-CZ3 3.75Å; L141-W155 HydrophobicContact CD2-CD2 3.68Å; L141-W155 HydrophobicContact CD2-CE3 4.28Å; L141-W155 HydrophobicContact CD2-CG 3.92Å; L141-W155 HydrophobicContact CD2-CZ2 3.98Å; L141-W155 HydrophobicContact CG-CZ2 4.48Å; G145-W155 PolarHBondContact O-NE1 2.92Å; S152-W155 WeakPolarHBondContact O-CB 3.23Å; S152-W155 PolarHBondContact O-N 3.48Å; S152-W155 VanDerWaalsContact O-N 3.1Å; W155-Y158 PolarHBondContact O-N 3.22Å; W155-R159 WeakPolarHBondContact O-CG 3.44Å; W155-R159 PolarHBondContact O-N 3.1Å; W155-R159 PolarHBondContact O-NH1 3.35Å; W155-L187 HydrophobicContact CE3-CD1 3.62Å; W155-L187 HydrophobicContact CE3-CG 4.1Å; W155-L187 HydrophobicContact CZ3-CD1 3.57Å; W155-L187 HydrophobicContact CZ3-CG 4.37Å; W155-R190 HydrophobicContact CH2-CB 3.84Å; W155-R190 HydrophobicContact CZ3-CB 3.65Å; W155-Q191 HydrophobicContact CB-CB 4.41Å; W155-Q191 VanDerWaalsContact CB-CD 3.44Å; W155-Q191 HydrophobicContact CB-CG 3.86Å; W155-Q191 HydrophobicContact CD2-CB 3.8Å; W155-Q191 HydrophobicContact CD2-CG 3.85Å; W155-Q191 HydrophobicContact CE3-CB 3.66Å; W155-Q191 HydrophobicContact CE3-CG 4.22Å; W155-Q191 HydrophobicContact CG-CB 4.12Å; W155-Q191 HydrophobicContact CG-CG 3.65Å; W155-Q191 HydrophobicContact CZ3-CB 4.2Å; W155-I194 HydrophobicContact CH2-CD1 3.81Å; W155-I194 HydrophobicContact CZ2-CD1 3.27Å; W155-H196 AromaticContact CD1-CE1 3.53Å; W155-H196 AromaticContact NE1-CE1 3.31Å; W155-H196 PolarHBondContact NE1-CE1 3.1Å; W155-H196 VanDerWaalsContact NE1-CE1 3.31Å; W155-H196 AromaticContact NE1-NE2 3.85Å |
| 156 | E | 97.6 | Very high | 96.1 | Very high | 40 Ų | 40 | 29 Ų | 29 | 19% | 0.187 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.1 | -54.8 | 179.3 | -80.2 | 161.3 | -150.5 | 0 | 0 | 111.4 | S152 M153 L154 Y158 R159 E160 N198 | S152-E156 PolarHBondContact O-N 3.33Å; M153-E156 PolarHBondContact O-N 3.09Å; L154-E156 VanDerWaalsContact C-N 3.34Å; E156-Y158 PolarHBondContact O-N 3.23Å; E156-R159 VanDerWaalsContact CA-NH1 3.27Å; E156-R159 WeakPolarHBondContact O-CB 3.47Å; E156-R159 PolarHBondContact O-N 3.09Å; E156-E160 WeakPolarHBondContact O-CG 2.93Å; E156-E160 PolarHBondContact O-N 3.28Å; E156-N198 PolarHBondContact OE1-ND2 3.27Å |
| 157 | I | 97.5 | Very high | 95.8 | Very high | 15 Ų | 15 | 29.9 Ų | 29.9 | 8% | 0.077 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.6 | -36.8 | 179 | -62.5 | 169.6 | 0 | 0 | 0 | 110.8 | L112 C115 H116 I119 F137 M153 E160 Y161 | L112-I157 HydrophobicContact CB-CD1 4.48Å; L112-I157 HydrophobicContact CD2-CD1 3.44Å; L112-I157 VanDerWaalsContact CD2-CD1 3.44Å; C115-I157 HydrophobicContact CB-CG2 4.28Å; H116-I157 WeakPolarHBondContact NE2-CD1 3.46Å; I119-I157 HydrophobicContact CD1-CG2 3.49Å; I119-I157 VanDerWaalsContact CD1-CG2 3.49Å; F137-I157 HydrophobicContact CE1-CB 4.34Å; F137-I157 HydrophobicContact CE1-CG2 3.75Å; F137-I157 HydrophobicContact CZ-CG2 3.99Å; M153-I157 WeakPolarHBondContact O-CG1 3.33Å; M153-I157 PolarHBondContact O-N 3.17Å; M153-I157 VanDerWaalsContact O-N 3.1Å; I157-E160 PolarHBondContact O-N 3.35Å; I157-Y161 WeakPolarHBondContact O-CB 3.47Å; I157-Y161 PolarHBondContact O-N 2.87Å |
| 158 | Y | 98.2 | Very high | 95.5 | Very high | 12 Ų | 12 | 35.3 Ų | 35.3 | 5% | 0.047 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.2 | -40.3 | 177.1 | -167.7 | -164.5 | 0 | 0 | 0 | 112.3 | E134 F137 E138 L141 L154 W155 E156 E160 Y161 L162 L187 | E134-Y158 HydrophobicContact CG-CE2 4.28Å; F137-Y158 HydrophobicContact CB-CD1 3.84Å; F137-Y158 HydrophobicContact CB-CD2 3.7Å; F137-Y158 HydrophobicContact CB-CE1 3.9Å; F137-Y158 HydrophobicContact CB-CE2 3.77Å; F137-Y158 HydrophobicContact CB-CG 3.75Å; F137-Y158 HydrophobicContact CD1-CD1 4.48Å; F137-Y158 AromaticContact CD1-CD2 3.85Å; F137-Y158 HydrophobicContact CD1-CD2 3.85Å; F137-Y158 AromaticContact CD1-CG 3.73Å; F137-Y158 HydrophobicContact CD1-CG 3.73Å; F137-Y158 AromaticContact CD2-CD2 3.63Å; F137-Y158 HydrophobicContact CD2-CD2 3.63Å; F137-Y158 AromaticContact CD2-CE2 3.9Å; F137-Y158 HydrophobicContact CD2-CE2 3.9Å; F137-Y158 HydrophobicContact CD2-CG 4.33Å; F137-Y158 HydrophobicContact CE1-CD2 4.37Å; F137-Y158 HydrophobicContact CE1-CG 4.41Å; F137-Y158 HydrophobicContact CE2-CD2 4.21Å; F137-Y158 HydrophobicContact CG-CD1 4.3Å; F137-Y158 AromaticContact CG-CD2 3.45Å; F137-Y158 HydrophobicContact CG-CD2 3.45Å; F137-Y158 VanDerWaalsContact CG-CD2 3.45Å; F137-Y158 AromaticContact CG-CE2 3.9Å; F137-Y158 HydrophobicContact CG-CE2 3.9Å; F137-Y158 AromaticContact CG-CG 3.69Å; F137-Y158 HydrophobicContact CG-CG 3.69Å; E138-Y158 HydrophobicContact CG-CE1 4.45Å; L141-Y158 HydrophobicContact CD1-CD1 3.82Å; L141-Y158 HydrophobicContact CD1-CE1 4.23Å; L154-Y158 WeakPolarHBondContact O-CB 3.01Å; L154-Y158 PolarHBondContact O-N 3.49Å; L154-Y158 VanDerWaalsContact O-N 3.15Å; W155-Y158 PolarHBondContact O-N 3.22Å; E156-Y158 PolarHBondContact O-N 3.23Å; Y158-E160 VanDerWaalsContact C-N 3.35Å; Y158-Y161 HydrophobicContact CD2-CD1 4.14Å; Y158-Y161 HydrophobicContact CE2-CD1 4.2Å; Y158-Y161 PolarHBondContact O-N 3.07Å; Y158-L162 HydrophobicContact CD2-CD1 4.41Å; Y158-L162 HydrophobicContact CD2-CD2 4.37Å; Y158-L162 HydrophobicContact CD2-CG 3.98Å; Y158-L162 HydrophobicContact CE2-CD1 4.18Å; Y158-L162 HydrophobicContact CE2-CD2 3.77Å; Y158-L162 HydrophobicContact CE2-CG 3.83Å; Y158-L162 WeakPolarHBondContact O-CG 3.2Å; Y158-L162 PolarHBondContact O-N 3.06Å; Y158-L187 HydrophobicContact CD1-CD1 3.53Å; Y158-L187 HydrophobicContact CD1-CD2 3.54Å; Y158-L187 HydrophobicContact CD1-CG 4.22Å; Y158-L187 HydrophobicContact CD2-CD2 4.44Å; Y158-L187 HydrophobicContact CE1-CD1 3.74Å; Y158-L187 HydrophobicContact CE1-CD2 4.14Å; Y158-L187 HydrophobicContact CG-CD2 3.71Å |
| 159 | R | 97 | Very high | 95.2 | Very high | 13 Ų | 13 | 36.6 Ų | 36.6 | 5% | 0.049 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.9 | -43.1 | 173.3 | -71.9 | -168.1 | -45.6 | -76.9 | 15.6 | 111.5 | W155 E156 L162 T163 L187 F188 E205 | W155-R159 WeakPolarHBondContact O-CG 3.44Å; W155-R159 PolarHBondContact O-N 3.1Å; W155-R159 PolarHBondContact O-NH1 3.35Å; E156-R159 VanDerWaalsContact CA-NH1 3.27Å; E156-R159 WeakPolarHBondContact O-CB 3.47Å; E156-R159 PolarHBondContact O-N 3.09Å; R159-L162 PolarHBondContact O-N 3.31Å; R159-T163 WeakPolarHBondContact O-CB 3.43Å; R159-T163 PolarHBondContact O-N 3.28Å; R159-T163 PolarHBondContact O-OG1 2.74Å; R159-L187 HydrophobicContact CB-CD2 4.43Å; R159-L187 HydrophobicContact CG-CD2 3.61Å; R159-L187 HydrophobicContact CG-CG 4.2Å; R159-F188 VanDerWaalsContact CD-CZ 3.43Å; R159-F188 VanDerWaalsContact NE-CE1 3.28Å; R159-E205 IonicContact CZ-OE2 3.25Å; R159-E205 IonicContact NE-OE2 3.76Å; R159-E205 IonicContact NH2-OE2 3.55Å; R159-E205 PolarHBondContact NH2-OE2 2.98Å |
| 160 | E | 95 | Very high | 94.9 | Very high | 121 Ų | 121 | 36.7 Ų | 36.7 | 57% | 0.565 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -60.3 | -46.8 | 175 | -71.4 | 179.9 | 177 | 0 | 0 | 111.1 | E156 I157 Y158 L162 T163 V164 | E156-E160 WeakPolarHBondContact O-CG 2.93Å; E156-E160 PolarHBondContact O-N 3.28Å; I157-E160 PolarHBondContact O-N 3.35Å; Y158-E160 VanDerWaalsContact C-N 3.35Å; E160-L162 PolarHBondContact O-N 3.17Å; E160-T163 WeakPolarHBondContact O-CB 3.34Å; E160-T163 PolarHBondContact O-N 3.2Å; E160-T163 VanDerWaalsContact O-N 3.14Å; E160-V164 WeakPolarHBondContact O-CG2 3.19Å; E160-V164 PolarHBondContact O-N 3.46Å |
| 161 | Y | 96.6 | Very high | 94.4 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.008 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.9 | -48.7 | 175.9 | 175.4 | -108.1 | 0 | 0 | 0 | 112.3 | I119 S122 F124 I130 A133 E134 F137 I157 Y158 T163 V164 V165 | I119-Y161 HydrophobicContact CG1-CD2 3.77Å; I119-Y161 HydrophobicContact CG1-CG 4.33Å; S122-Y161 PolarHBondContact OG-OH 3.3Å; F124-Y161 HydrophobicContact CD1-CE2 4.45Å; F124-Y161 HydrophobicContact CE1-CD2 4.03Å; F124-Y161 AromaticContact CE1-CE2 3.55Å; F124-Y161 HydrophobicContact CE1-CE2 3.55Å; F124-Y161 HydrophobicContact CZ-CD2 4.48Å; F124-Y161 HydrophobicContact CZ-CE2 4.16Å; I130-Y161 WeakPolarHBondContact CA-OH 3.35Å; A133-Y161 HydrophobicContact CB-CE1 4.1Å; A133-Y161 HydrophobicContact CB-CE2 4.34Å; A133-Y161 WeakPolarHBondContact CB-OH 3.35Å; E134-Y161 HydrophobicContact CG-CE1 4.43Å; F137-Y161 HydrophobicContact CD2-CD1 4.03Å; F137-Y161 HydrophobicContact CD2-CE1 4.45Å; F137-Y161 HydrophobicContact CD2-CG 4.48Å; F137-Y161 AromaticContact CE2-CD1 3.63Å; F137-Y161 HydrophobicContact CE2-CD1 3.63Å; F137-Y161 HydrophobicContact CE2-CD2 4.26Å; F137-Y161 HydrophobicContact CE2-CE1 4.21Å; F137-Y161 AromaticContact CE2-CG 3.65Å; F137-Y161 HydrophobicContact CE2-CG 3.65Å; F137-Y161 HydrophobicContact CZ-CD1 4.47Å; F137-Y161 HydrophobicContact CZ-CG 4.14Å; I157-Y161 WeakPolarHBondContact O-CB 3.47Å; I157-Y161 PolarHBondContact O-N 2.87Å; Y158-Y161 HydrophobicContact CD2-CD1 4.14Å; Y158-Y161 HydrophobicContact CE2-CD1 4.2Å; Y158-Y161 PolarHBondContact O-N 3.07Å; Y161-T163 PolarHBondContact O-N 2.94Å; Y161-V164 PolarHBondContact O-N 3.49Å; Y161-V164 VanDerWaalsContact O-N 3.15Å; Y161-V165 HydrophobicContact CD1-CG2 4.34Å; Y161-V165 HydrophobicContact CD2-CG2 4.45Å; Y161-V165 HydrophobicContact CE1-CG2 3.89Å; Y161-V165 HydrophobicContact CE2-CG2 4.04Å; Y161-V165 WeakPolarHBondContact O-CG2 3.37Å; Y161-V165 PolarHBondContact O-N 3.32Å |
| 162 | L | 95.6 | Very high | 93.8 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.7 | -33.2 | 177.7 | -67.4 | -178.4 | 0 | 0 | 0 | 112.3 | Y158 R159 E160 V165 W166 Q180 M184 L187 | Y158-L162 HydrophobicContact CD2-CD1 4.41Å; Y158-L162 HydrophobicContact CD2-CD2 4.37Å; Y158-L162 HydrophobicContact CD2-CG 3.98Å; Y158-L162 HydrophobicContact CE2-CD1 4.18Å; Y158-L162 HydrophobicContact CE2-CD2 3.77Å; Y158-L162 HydrophobicContact CE2-CG 3.83Å; Y158-L162 WeakPolarHBondContact O-CG 3.2Å; Y158-L162 PolarHBondContact O-N 3.06Å; R159-L162 PolarHBondContact O-N 3.31Å; E160-L162 PolarHBondContact O-N 3.17Å; L162-V165 PolarHBondContact O-N 3.27Å; L162-W166 WeakPolarHBondContact O-CB 3.24Å; L162-W166 PolarHBondContact O-N 3.2Å; L162-Q180 PolarHBondContact O-NE2 2.99Å; L162-M184 HydrophobicContact CB-CG 3.69Å; L162-M184 HydrophobicContact CB-SD 4.5Å; L162-M184 HydrophobicContact CD1-CG 4.18Å; L162-L187 HydrophobicContact CD1-CB 4.4Å; L162-L187 HydrophobicContact CD1-CD2 3.67Å |
| 163 | T | 94 | Very high | 93.2 | Very high | 61 Ų | 61 | 55.2 Ų | 55.2 | 37% | 0.374 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66.1 | -43.3 | 174.5 | -55.4 | 0 | 0 | 0 | 0 | 111.1 | R159 E160 Y161 W166 S167 M184 | R159-T163 WeakPolarHBondContact O-CB 3.43Å; R159-T163 PolarHBondContact O-N 3.28Å; R159-T163 PolarHBondContact O-OG1 2.74Å; E160-T163 WeakPolarHBondContact O-CB 3.34Å; E160-T163 PolarHBondContact O-N 3.2Å; E160-T163 VanDerWaalsContact O-N 3.14Å; Y161-T163 PolarHBondContact O-N 2.94Å; T163-W166 PolarHBondContact O-N 3.45Å; T163-S167 PolarHBondContact O-N 3.49Å; T163-M184 HydrophobicContact CG2-CE 4.41Å; T163-M184 WeakPolarHBondContact OG1-CE 3.43Å |
| 164 | V | 94 | Very high | 92.7 | Very high | 59 Ų | 59 | 59.9 Ų | 59.9 | 36% | 0.358 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.2 | -47.5 | 174.8 | 176 | 0 | 0 | 0 | 0 | 110.3 | F124 E160 Y161 W166 S167 Q168 | F124-V164 HydrophobicContact CD1-CG1 4.21Å; F124-V164 HydrophobicContact CE1-CB 4.27Å; F124-V164 HydrophobicContact CE1-CG1 3.6Å; F124-V164 HydrophobicContact CE2-CG1 4.15Å; F124-V164 HydrophobicContact CZ-CB 4.48Å; F124-V164 HydrophobicContact CZ-CG1 3.57Å; E160-V164 WeakPolarHBondContact O-CG2 3.19Å; E160-V164 PolarHBondContact O-N 3.46Å; Y161-V164 PolarHBondContact O-N 3.49Å; Y161-V164 VanDerWaalsContact O-N 3.15Å; V164-W166 VanDerWaalsContact C-N 3.32Å; V164-W166 PolarHBondContact O-N 3.22Å; V164-S167 WeakPolarHBondContact O-CB 3.45Å; V164-S167 PolarHBondContact O-N 3.14Å; V164-S167 VanDerWaalsContact O-N 3.11Å; V164-S167 PolarHBondContact O-OG 2.78Å; V164-Q168 WeakPolarHBondContact O-CG 3.42Å; V164-Q168 PolarHBondContact O-N 3.05Å; V164-Q168 VanDerWaalsContact O-N 3.15Å |
| 165 | V | 93.6 | Very high | 92.2 | Very high | 6 Ų | 6 | 67.3 Ų | 67.3 | 4% | 0.036 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -55.8 | -47.6 | 175.4 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | F124 I130 Y161 L162 S167 Q168 L169 | F124-V165 HydrophobicContact CD1-CG2 3.84Å; F124-V165 HydrophobicContact CE1-CG2 3.96Å; I130-V165 HydrophobicContact CD1-CG1 3.99Å; I130-V165 HydrophobicContact CG1-CG2 4.44Å; I130-V165 HydrophobicContact CG2-CG1 4.39Å; I130-V165 HydrophobicContact CG2-CG2 4.32Å; Y161-V165 HydrophobicContact CD1-CG2 4.34Å; Y161-V165 HydrophobicContact CD2-CG2 4.45Å; Y161-V165 HydrophobicContact CE1-CG2 3.89Å; Y161-V165 HydrophobicContact CE2-CG2 4.04Å; Y161-V165 WeakPolarHBondContact O-CG2 3.37Å; Y161-V165 PolarHBondContact O-N 3.32Å; L162-V165 PolarHBondContact O-N 3.27Å; V165-S167 VanDerWaalsContact C-N 3.29Å; V165-S167 PolarHBondContact O-N 2.85Å; V165-Q168 PolarHBondContact O-N 3.18Å; V165-L169 PolarHBondContact O-N 3.01Å |
| 166 | W | 92 | Very high | 91.7 | Very high | 57 Ų | 57 | 70.7 Ų | 70.7 | 22% | 0.216 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58.8 | -40.3 | 177.7 | -178.8 | 87.2 | 0 | 0 | 0 | 112.6 | L162 T163 V164 Q168 L169 Q180 M184 I213 | L162-W166 WeakPolarHBondContact O-CB 3.24Å; L162-W166 PolarHBondContact O-N 3.2Å; T163-W166 PolarHBondContact O-N 3.45Å; V164-W166 VanDerWaalsContact C-N 3.32Å; V164-W166 PolarHBondContact O-N 3.22Å; W166-Q168 VanDerWaalsContact C-N 3.3Å; W166-Q168 PolarHBondContact O-N 3.48Å; W166-L169 PolarHBondContact O-N 3.38Å; W166-Q180 HydrophobicContact CB-CG 3.71Å; W166-Q180 HydrophobicContact CG-CG 4.26Å; W166-M184 HydrophobicContact CB-SD 4.12Å; W166-M184 HydrophobicContact CG-SD 4.41Å; W166-I213 HydrophobicContact CH2-CB 4.24Å; W166-I213 HydrophobicContact CH2-CG2 3.69Å; W166-I213 HydrophobicContact CZ2-CB 4.34Å; W166-I213 HydrophobicContact CZ2-CG2 4.29Å; W166-I213 HydrophobicContact CZ3-CG2 4.12Å |
| 167 | S | 91.7 | Very high | 91.3 | Very high | 63 Ų | 63 | 69.7 Ų | 69.7 | 44% | 0.441 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.5 | -29 | 179.2 | 77.5 | 0 | 0 | 0 | 0 | 113.7 | T163 V164 V165 | T163-S167 PolarHBondContact O-N 3.49Å; V164-S167 WeakPolarHBondContact O-CB 3.45Å; V164-S167 PolarHBondContact O-N 3.14Å; V164-S167 VanDerWaalsContact O-N 3.11Å; V164-S167 PolarHBondContact O-OG 2.78Å; V165-S167 VanDerWaalsContact C-N 3.29Å; V165-S167 PolarHBondContact O-N 2.85Å |
| 168 | Q | 91.6 | Very high | 91 | Very high | 123 Ų | 123 | 72.4 Ų | 72.4 | 58% | 0.575 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -85 | -13.7 | 179.7 | -63 | -57.6 | -43.6 | 0 | 0 | 113.2 | F124 V164 V165 W166 | F124-Q168 HydrophobicContact CB-CB 4.22Å; F124-Q168 HydrophobicContact CB-CG 4.07Å; F124-Q168 HydrophobicContact CG-CG 4.27Å; V164-Q168 WeakPolarHBondContact O-CG 3.42Å; V164-Q168 PolarHBondContact O-N 3.05Å; V164-Q168 VanDerWaalsContact O-N 3.15Å; V165-Q168 PolarHBondContact O-N 3.18Å; W166-Q168 VanDerWaalsContact C-N 3.3Å; W166-Q168 PolarHBondContact O-N 3.48Å |
| 169 | L | 90.1 | Very high | 90.7 | Very high | 33 Ų | 33 | 78 Ų | 78 | 17% | 0.173 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -66.9 | 136.9 | 179 | -73.2 | 173.6 | 0 | 0 | 0 | 111.8 | V165 W166 Q171 M176 K177 Q180 | V165-L169 PolarHBondContact O-N 3.01Å; W166-L169 PolarHBondContact O-N 3.38Å; L169-Q171 PolarHBondContact O-N 3.2Å; L169-M176 HydrophobicContact CD1-CB 4.46Å; L169-K177 HydrophobicContact CB-CG 4.11Å; L169-K177 HydrophobicContact CD1-CG 4.23Å; L169-K177 VanDerWaalsContact O-CE 3.24Å; L169-K177 WeakPolarHBondContact O-CE 3.33Å; L169-K177 PolarHBondContact O-NZ 3.21Å; L169-Q180 HydrophobicContact CD1-CB 3.92Å; L169-Q180 HydrophobicContact CD1-CG 4.21Å |
| 170 | P | 86.8 | Confident | 90.5 | Very high | 70 Ų | 70 | 77.9 Ų | 77.9 | 46% | 0.455 | 39% | 0.388 | S | S | . | . | trans | -58 | 138.8 | 177.4 | -20.5 | 29.9 | 0 | 0 | 0 | 112.1 | D172 H173 K177 | P170-D172 PolarHBondContact O-N 3.4Å; P170-H173 PolarHBondContact O-N 3.23Å; P170-K177 VanDerWaalsContact O-CE 3.29Å; P170-K177 WeakPolarHBondContact O-CE 3.38Å | ||
| 171 | Q | 82.3 | Confident | 90.4 | Very high | 146 Ų | 146 | 72.3 Ų | 72.3 | 68% | 0.682 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -27.8 | -176.3 | -65.3 | -64.8 | -16.2 | 0 | 0 | 113.6 | L169 H173 | L169-Q171 PolarHBondContact O-N 3.2Å; Q171-H173 VanDerWaalsContact C-N 3.34Å; Q171-H173 PolarHBondContact O-N 3.21Å |
| 172 | D | 84.6 | Confident | 90.3 | Very high | 151 Ų | 151 | 75 Ų | 75 | 81% | 0.807 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -22.2 | -175.3 | -59.2 | -37 | 0 | 0 | 0 | 113.4 | P170 K174 | P170-D172 PolarHBondContact O-N 3.4Å; D172-K174 PolarHBondContact O-N 3.1Å; D172-K174 VanDerWaalsContact O-N 3.16Å |
| 173 | H | 85.5 | Confident | 90.3 | Very high | 104 Ų | 104 | 78.2 Ų | 78.2 | 48% | 0.481 | 39% | 0.391 | S | S | . | . | trans | -90.6 | 74.2 | -176.8 | -75.7 | -79.8 | 0 | 0 | 0 | 112.5 | P170 Q171 E175 M176 K177 | P170-H173 PolarHBondContact O-N 3.23Å; Q171-H173 VanDerWaalsContact C-N 3.34Å; Q171-H173 PolarHBondContact O-N 3.21Å; H173-E175 VanDerWaalsContact C-N 3.29Å; H173-E175 PolarHBondContact O-N 2.92Å; H173-M176 HydrophobicContact CB-CB 4.34Å; H173-M176 HydrophobicContact CB-CE 3.39Å; H173-M176 HydrophobicContact CB-CG 4.44Å; H173-M176 PolarHBondContact O-N 2.98Å; H173-K177 PolarHBondContact O-N 3.43Å | ||
| 174 | K | 85.8 | Confident | 90.3 | Very high | 171 Ų | 171 | 75.5 Ų | 75.5 | 74% | 0.743 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -55.4 | -39.4 | 180 | -65.9 | -173.6 | 177.8 | -174.5 | 0 | 113.9 | D172 K177 L178 | D172-K174 PolarHBondContact O-N 3.1Å; D172-K174 VanDerWaalsContact O-N 3.16Å; K174-K177 PolarHBondContact O-N 2.98Å; K174-L178 WeakPolarHBondContact O-CB 3.43Å; K174-L178 PolarHBondContact O-N 3.4Å |
| 175 | E | 88.4 | Confident | 90.4 | Very high | 158 Ų | 158 | 73 Ų | 73 | 74% | 0.738 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -62.7 | -50.4 | -179 | -67.1 | 177.2 | 177.4 | 0 | 0 | 111.8 | H173 K177 L178 E179 | H173-E175 VanDerWaalsContact C-N 3.29Å; H173-E175 PolarHBondContact O-N 2.92Å; E175-K177 VanDerWaalsContact C-N 3.31Å; E175-K177 PolarHBondContact O-N 3.04Å; E175-L178 PolarHBondContact O-N 2.7Å; E175-E179 WeakPolarHBondContact O-CG 3.13Å; E175-E179 PolarHBondContact O-N 3.32Å |
| 176 | M | 87.9 | Confident | 90.5 | Very high | 77 Ų | 77 | 79.4 Ų | 79.4 | 38% | 0.379 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.2 | -38.6 | 178.2 | -67.2 | -163 | -68.1 | 0 | 0 | 112.2 | L169 H173 E179 Q180 | L169-M176 HydrophobicContact CD1-CB 4.46Å; H173-M176 HydrophobicContact CB-CB 4.34Å; H173-M176 HydrophobicContact CB-CE 3.39Å; H173-M176 HydrophobicContact CB-CG 4.44Å; H173-M176 PolarHBondContact O-N 2.98Å; M176-E179 PolarHBondContact O-N 3.46Å; M176-Q180 WeakPolarHBondContact O-CB 3.46Å; M176-Q180 PolarHBondContact O-N 3.07Å |
| 177 | K | 89.8 | Confident | 90.8 | Very high | 20 Ų | 20 | 76.9 Ų | 76.9 | 9% | 0.087 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.5 | -42.3 | 175.5 | -73.1 | -164.8 | 172.5 | -150.6 | 0 | 112.2 | L169 P170 H173 K174 E175 Q180 L181 | L169-K177 HydrophobicContact CB-CG 4.11Å; L169-K177 HydrophobicContact CD1-CG 4.23Å; L169-K177 VanDerWaalsContact O-CE 3.24Å; L169-K177 WeakPolarHBondContact O-CE 3.33Å; L169-K177 PolarHBondContact O-NZ 3.21Å; P170-K177 VanDerWaalsContact O-CE 3.29Å; P170-K177 WeakPolarHBondContact O-CE 3.38Å; H173-K177 PolarHBondContact O-N 3.43Å; K174-K177 PolarHBondContact O-N 2.98Å; E175-K177 VanDerWaalsContact C-N 3.31Å; E175-K177 PolarHBondContact O-N 3.04Å; K177-Q180 PolarHBondContact O-N 3.32Å; K177-L181 WeakPolarHBondContact O-CG 3.28Å; K177-L181 PolarHBondContact O-N 3.37Å |
| 178 | L | 91.4 | Very high | 91.1 | Very high | 72 Ų | 72 | 74.5 Ų | 74.5 | 38% | 0.377 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66 | -40.9 | 176.8 | -178.3 | 62 | 0 | 0 | 0 | 111.6 | K174 E175 Q180 L181 N182 L217 | K174-L178 WeakPolarHBondContact O-CB 3.43Å; K174-L178 PolarHBondContact O-N 3.4Å; E175-L178 PolarHBondContact O-N 2.7Å; L178-Q180 VanDerWaalsContact C-N 3.32Å; L178-Q180 PolarHBondContact O-N 3.34Å; L178-L181 PolarHBondContact O-N 3.33Å; L178-N182 WeakPolarHBondContact O-CB 3.31Å; L178-N182 PolarHBondContact O-N 3.46Å; L178-N182 PolarHBondContact O-ND2 2.67Å; L178-L217 HydrophobicContact CD1-CD2 3.76Å |
| 179 | E | 91.1 | Very high | 91.3 | Very high | 129 Ų | 129 | 70.8 Ų | 70.8 | 60% | 0.603 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -60.1 | -42.9 | 173.7 | -74.5 | -178.2 | 178.5 | 0 | 0 | 111.8 | E175 M176 N182 K183 | E175-E179 WeakPolarHBondContact O-CG 3.13Å; E175-E179 PolarHBondContact O-N 3.32Å; M176-E179 PolarHBondContact O-N 3.46Å; E179-N182 WeakPolarHBondContact O-CB 3.19Å; E179-N182 PolarHBondContact O-N 3.26Å; E179-K183 PolarHBondContact O-N 3.45Å |
| 180 | Q | 92 | Very high | 91.7 | Very high | 10 Ų | 10 | 73.8 Ų | 73.8 | 5% | 0.047 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.9 | -41.9 | 177.1 | -173.3 | 65.4 | 8.2 | 0 | 0 | 112.1 | L162 W166 L169 M176 K177 L178 N182 K183 M184 | L162-Q180 PolarHBondContact O-NE2 2.99Å; W166-Q180 HydrophobicContact CB-CG 3.71Å; W166-Q180 HydrophobicContact CG-CG 4.26Å; L169-Q180 HydrophobicContact CD1-CB 3.92Å; L169-Q180 HydrophobicContact CD1-CG 4.21Å; M176-Q180 WeakPolarHBondContact O-CB 3.46Å; M176-Q180 PolarHBondContact O-N 3.07Å; K177-Q180 PolarHBondContact O-N 3.32Å; L178-Q180 VanDerWaalsContact C-N 3.32Å; L178-Q180 PolarHBondContact O-N 3.34Å; Q180-N182 VanDerWaalsContact C-N 3.32Å; Q180-N182 PolarHBondContact O-N 2.97Å; Q180-K183 WeakPolarHBondContact O-CB 3.33Å; Q180-K183 PolarHBondContact O-N 3.34Å; Q180-K183 VanDerWaalsContact O-N 3.09Å; Q180-M184 WeakPolarHBondContact O-CG 3.47Å; Q180-M184 PolarHBondContact O-N 3.19Å |
| 181 | L | 93.7 | Very high | 92.2 | Very high | 4 Ų | 4 | 70.5 Ų | 70.5 | 2% | 0.021 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.5 | -42.7 | 172.3 | -74.2 | 173.2 | 0 | 0 | 0 | 111.5 | K177 L178 K183 M184 D185 F209 I213 L217 | K177-L181 WeakPolarHBondContact O-CG 3.28Å; K177-L181 PolarHBondContact O-N 3.37Å; L178-L181 PolarHBondContact O-N 3.33Å; L181-K183 VanDerWaalsContact C-N 3.29Å; L181-K183 PolarHBondContact O-N 3.25Å; L181-M184 HydrophobicContact CD2-SD 4.49Å; L181-M184 PolarHBondContact O-N 2.74Å; L181-D185 WeakPolarHBondContact O-CB 3.49Å; L181-D185 PolarHBondContact O-N 2.75Å; L181-F209 HydrophobicContact CD2-CE2 4.05Å; L181-F209 HydrophobicContact CD2-CZ 4.23Å; L181-I213 HydrophobicContact CD2-CB 4.26Å; L181-I213 HydrophobicContact CD2-CD1 3.96Å; L181-I213 HydrophobicContact CD2-CG1 4.06Å; L181-L217 HydrophobicContact CB-CD1 4.28Å; L181-L217 HydrophobicContact CB-CD2 4.21Å; L181-L217 HydrophobicContact CB-CG 4.44Å |
| 182 | N | 94.5 | Very high | 92.9 | Very high | 58 Ų | 58 | 63.6 Ų | 63.6 | 31% | 0.31 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.5 | -29.6 | 174.6 | -79.7 | -64.3 | 0 | 0 | 0 | 112.9 | L178 E179 Q180 R186 L217 | L178-N182 WeakPolarHBondContact O-CB 3.31Å; L178-N182 PolarHBondContact O-N 3.46Å; L178-N182 PolarHBondContact O-ND2 2.67Å; E179-N182 WeakPolarHBondContact O-CB 3.19Å; E179-N182 PolarHBondContact O-N 3.26Å; Q180-N182 VanDerWaalsContact C-N 3.32Å; Q180-N182 PolarHBondContact O-N 2.97Å; N182-R186 WeakPolarHBondContact O-CB 3.34Å; N182-R186 VanDerWaalsContact O-CG 3.23Å; N182-R186 WeakPolarHBondContact O-CG 3.43Å; N182-R186 PolarHBondContact O-N 3.33Å; N182-R186 VanDerWaalsContact O-N 3.15Å; N182-R186 PolarHBondContact O-NE 2.97Å; N182-L217 WeakPolarHBondContact OD1-CD2 3.21Å |
| 183 | K | 94.6 | Very high | 93.5 | Very high | 70 Ų | 70 | 58.8 Ų | 58.8 | 30% | 0.304 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.6 | -47.3 | 171.9 | -75.7 | 179.9 | 171.4 | -170.9 | 0 | 110.9 | E134 E179 Q180 L181 R186 L187 | E134-K183 IonicContact OE1-NZ 2.91Å; E134-K183 PolarHBondContact OE1-NZ 3.18Å; E134-K183 IonicContact OE2-NZ 2.86Å; E134-K183 PolarHBondContact OE2-NZ 3.39Å; E179-K183 PolarHBondContact O-N 3.45Å; Q180-K183 WeakPolarHBondContact O-CB 3.33Å; Q180-K183 PolarHBondContact O-N 3.34Å; Q180-K183 VanDerWaalsContact O-N 3.09Å; L181-K183 VanDerWaalsContact C-N 3.29Å; L181-K183 PolarHBondContact O-N 3.25Å; K183-R186 PolarHBondContact O-N 2.83Å; K183-L187 PolarHBondContact O-N 3.44Å |
| 184 | M | 95.8 | Very high | 94 | Very high | 5 Ų | 5 | 54.7 Ų | 54.7 | 3% | 0.025 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.5 | -46.8 | 178.1 | -65.9 | 172.3 | 70.7 | 0 | 0 | 111.7 | L162 T163 W166 Q180 L181 L187 F188 F209 I213 | L162-M184 HydrophobicContact CB-CG 3.69Å; L162-M184 HydrophobicContact CB-SD 4.5Å; L162-M184 HydrophobicContact CD1-CG 4.18Å; T163-M184 HydrophobicContact CG2-CE 4.41Å; T163-M184 WeakPolarHBondContact OG1-CE 3.43Å; W166-M184 HydrophobicContact CB-SD 4.12Å; W166-M184 HydrophobicContact CG-SD 4.41Å; Q180-M184 WeakPolarHBondContact O-CG 3.47Å; Q180-M184 PolarHBondContact O-N 3.19Å; L181-M184 HydrophobicContact CD2-SD 4.49Å; L181-M184 PolarHBondContact O-N 2.74Å; M184-L187 WeakPolarHBondContact O-CB 3.36Å; M184-L187 PolarHBondContact O-N 2.89Å; M184-L187 VanDerWaalsContact O-N 3.14Å; M184-F188 WeakPolarHBondContact O-CD2 3.36Å; M184-F188 PolarHBondContact O-N 3.17Å; M184-F209 HydrophobicContact CB-CE2 3.91Å; M184-F209 HydrophobicContact CB-CZ 3.87Å; M184-F209 HydrophobicContact CE-CD2 4.04Å; M184-F209 HydrophobicContact CE-CE2 3.67Å; M184-F209 HydrophobicContact SD-CE2 4.18Å; M184-I213 HydrophobicContact CE-CD1 4.07Å |
| 185 | D | 95.6 | Very high | 94.5 | Very high | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.027 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.9 | -52 | 175.5 | 175.7 | 49.1 | 0 | 0 | 0 | 111.7 | L181 L187 F188 Q189 Y206 F209 L217 Y218 | L181-D185 WeakPolarHBondContact O-CB 3.49Å; L181-D185 PolarHBondContact O-N 2.75Å; D185-L187 PolarHBondContact O-N 3.4Å; D185-F188 PolarHBondContact O-N 2.98Å; D185-Q189 VanDerWaalsContact O-CG 3.31Å; D185-Q189 WeakPolarHBondContact O-CG 3.42Å; D185-Q189 PolarHBondContact O-N 3.32Å; D185-Q189 PolarHBondContact OD1-NE2 2.95Å; D185-Q189 PolarHBondContact OD2-NE2 2.88Å; D185-Y206 PolarHBondContact OD1-OH 3.42Å; D185-F209 HydrophobicContact CB-CE1 4.14Å; D185-F209 HydrophobicContact CB-CZ 4.47Å; D185-L217 HydrophobicContact CB-CD1 3.63Å; D185-Y218 PolarHBondContact OD2-OH 3.49Å; D185-Y218 VanDerWaalsContact OD2-OH 3.11Å |
| 186 | R | 96.1 | Very high | 94.9 | Very high | 142 Ų | 142 | 39.2 Ų | 39.2 | 54% | 0.536 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -58 | -34.7 | 175.4 | -77 | -178.6 | -70.9 | 179.3 | -2.6 | 113.1 | N182 K183 R190 | N182-R186 WeakPolarHBondContact O-CB 3.34Å; N182-R186 VanDerWaalsContact O-CG 3.23Å; N182-R186 WeakPolarHBondContact O-CG 3.43Å; N182-R186 PolarHBondContact O-N 3.33Å; N182-R186 VanDerWaalsContact O-N 3.15Å; N182-R186 PolarHBondContact O-NE 2.97Å; K183-R186 PolarHBondContact O-N 2.83Å; R186-R190 WeakPolarHBondContact O-CB 3.25Å; R186-R190 VanDerWaalsContact O-CG 3.25Å; R186-R190 WeakPolarHBondContact O-CG 3.41Å; R186-R190 PolarHBondContact O-N 2.98Å |
| 187 | L | 97.4 | Very high | 95.2 | Very high | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.3 | -44.7 | 178.4 | -169.7 | 68.4 | 0 | 0 | 0 | 111.5 | L141 W155 Y158 R159 L162 K183 M184 D185 R190 Q191 | L141-L187 HydrophobicContact CD1-CD1 4.13Å; W155-L187 HydrophobicContact CE3-CD1 3.62Å; W155-L187 HydrophobicContact CE3-CG 4.1Å; W155-L187 HydrophobicContact CZ3-CD1 3.57Å; W155-L187 HydrophobicContact CZ3-CG 4.37Å; Y158-L187 HydrophobicContact CD1-CD1 3.53Å; Y158-L187 HydrophobicContact CD1-CD2 3.54Å; Y158-L187 HydrophobicContact CD1-CG 4.22Å; Y158-L187 HydrophobicContact CD2-CD2 4.44Å; Y158-L187 HydrophobicContact CE1-CD1 3.74Å; Y158-L187 HydrophobicContact CE1-CD2 4.14Å; Y158-L187 HydrophobicContact CG-CD2 3.71Å; R159-L187 HydrophobicContact CB-CD2 4.43Å; R159-L187 HydrophobicContact CG-CD2 3.61Å; R159-L187 HydrophobicContact CG-CG 4.2Å; L162-L187 HydrophobicContact CD1-CB 4.4Å; L162-L187 HydrophobicContact CD1-CD2 3.67Å; K183-L187 PolarHBondContact O-N 3.44Å; M184-L187 WeakPolarHBondContact O-CB 3.36Å; M184-L187 PolarHBondContact O-N 2.89Å; M184-L187 VanDerWaalsContact O-N 3.14Å; D185-L187 PolarHBondContact O-N 3.4Å; L187-R190 PolarHBondContact O-N 2.98Å; L187-Q191 PolarHBondContact O-N 3.48Å |
| 188 | F | 97.6 | Very high | 95.4 | Very high | 12 Ų | 12 | 40 Ų | 40 | 5% | 0.053 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.4 | -47.4 | 172.2 | -86 | -72.1 | 0 | 0 | 0 | 111.8 | R159 M184 D185 R190 Q191 L192 T202 E205 Y206 F209 | R159-F188 VanDerWaalsContact CD-CZ 3.43Å; R159-F188 VanDerWaalsContact NE-CE1 3.28Å; M184-F188 WeakPolarHBondContact O-CD2 3.36Å; M184-F188 PolarHBondContact O-N 3.17Å; D185-F188 PolarHBondContact O-N 2.98Å; F188-R190 VanDerWaalsContact C-N 3.35Å; F188-R190 PolarHBondContact O-N 3.39Å; F188-Q191 PolarHBondContact O-N 3.08Å; F188-L192 WeakPolarHBondContact O-CB 3.47Å; F188-L192 VanDerWaalsContact O-CG 3.31Å; F188-L192 WeakPolarHBondContact O-CG 3.23Å; F188-L192 PolarHBondContact O-N 3.33Å; F188-T202 HydrophobicContact CD1-CG2 4.35Å; F188-E205 HydrophobicContact CE1-CB 4.07Å; F188-E205 HydrophobicContact CZ-CB 4.43Å; F188-Y206 HydrophobicContact CB-CD2 3.44Å; F188-Y206 VanDerWaalsContact CB-CD2 3.44Å; F188-Y206 HydrophobicContact CB-CE2 3.79Å; F188-Y206 HydrophobicContact CB-CG 4.13Å; F188-Y206 AromaticContact CD1-CD2 3.94Å; F188-Y206 HydrophobicContact CD1-CD2 3.94Å; F188-Y206 HydrophobicContact CD1-CG 4.21Å; F188-Y206 AromaticContact CD2-CD2 3.79Å; F188-Y206 HydrophobicContact CD2-CD2 3.79Å; F188-Y206 HydrophobicContact CD2-CE2 4.41Å; F188-Y206 HydrophobicContact CE2-CD2 4.47Å; F188-Y206 AromaticContact CG-CD2 3.48Å; F188-Y206 HydrophobicContact CG-CD2 3.48Å; F188-Y206 VanDerWaalsContact CG-CD2 3.48Å; F188-Y206 HydrophobicContact CG-CE2 4.23Å; F188-Y206 HydrophobicContact CG-CG 4.18Å; F188-F209 AromaticContact CD2-CD1 3.99Å; F188-F209 HydrophobicContact CD2-CD1 3.99Å; F188-F209 HydrophobicContact CD2-CE1 4.39Å; F188-F209 HydrophobicContact CD2-CG 4.18Å; F188-F209 HydrophobicContact CE2-CB 3.76Å; F188-F209 AromaticContact CE2-CD1 3.93Å; F188-F209 HydrophobicContact CE2-CD1 3.93Å; F188-F209 HydrophobicContact CE2-CD2 4.05Å; F188-F209 AromaticContact CE2-CG 3.63Å; F188-F209 HydrophobicContact CE2-CG 3.63Å; F188-F209 HydrophobicContact CZ-CB 4.04Å; F188-F209 HydrophobicContact CZ-CG 4.4Å |
| 189 | Q | 96.8 | Very high | 95.6 | Very high | 45 Ų | 45 | 36.8 Ų | 36.8 | 21% | 0.21 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.7 | -43.9 | 179.8 | -64.7 | 179.7 | 19.1 | 0 | 0 | 111.8 | D185 L192 S193 Y218 V232 | D185-Q189 VanDerWaalsContact O-CG 3.31Å; D185-Q189 WeakPolarHBondContact O-CG 3.42Å; D185-Q189 PolarHBondContact O-N 3.32Å; D185-Q189 PolarHBondContact OD1-NE2 2.95Å; D185-Q189 PolarHBondContact OD2-NE2 2.88Å; Q189-L192 PolarHBondContact O-N 3.28Å; Q189-S193 PolarHBondContact O-N 2.87Å; Q189-Y218 PolarHBondContact NE2-OH 2.78Å; Q189-V232 HydrophobicContact CB-CG2 4.34Å; Q189-V232 HydrophobicContact CG-CG1 4.41Å; Q189-V232 HydrophobicContact CG-CG2 3.55Å |
| 190 | R | 97.7 | Very high | 95.8 | Very high | 97 Ų | 97 | 37.4 Ų | 37.4 | 37% | 0.366 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -58.2 | -49.4 | 173.9 | -76.8 | 168.1 | 63.6 | -172.6 | 2.3 | 111.5 | E138 W155 R186 L187 F188 S193 | E138-R190 IonicContact OE1-CZ 3.48Å; E138-R190 IonicContact OE1-NH1 3.51Å; E138-R190 PolarHBondContact OE1-NH1 3.33Å; E138-R190 IonicContact OE1-NH2 3.47Å; E138-R190 IonicContact OE2-CZ 3.8Å; E138-R190 IonicContact OE2-NH1 2.77Å; E138-R190 PolarHBondContact OE2-NH1 3.43Å; E138-R190 IonicContact OE2-NH2 2.68Å; E138-R190 PolarHBondContact OE2-NH2 2.86Å; W155-R190 HydrophobicContact CH2-CB 3.84Å; W155-R190 HydrophobicContact CZ3-CB 3.65Å; R186-R190 WeakPolarHBondContact O-CB 3.25Å; R186-R190 VanDerWaalsContact O-CG 3.25Å; R186-R190 WeakPolarHBondContact O-CG 3.41Å; R186-R190 PolarHBondContact O-N 2.98Å; L187-R190 PolarHBondContact O-N 2.98Å; F188-R190 VanDerWaalsContact C-N 3.35Å; F188-R190 PolarHBondContact O-N 3.39Å; R190-S193 PolarHBondContact O-N 2.97Å; R190-S193 PolarHBondContact O-OG 3.15Å |
| 191 | Q | 97.9 | Very high | 96 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64 | -45.6 | -179.3 | -172.1 | -170 | 1.4 | 0 | 0 | 112 | W155 L187 F188 S193 I194 T202 | W155-Q191 HydrophobicContact CB-CB 4.41Å; W155-Q191 VanDerWaalsContact CB-CD 3.44Å; W155-Q191 HydrophobicContact CB-CG 3.86Å; W155-Q191 HydrophobicContact CD2-CB 3.8Å; W155-Q191 HydrophobicContact CD2-CG 3.85Å; W155-Q191 HydrophobicContact CE3-CB 3.66Å; W155-Q191 HydrophobicContact CE3-CG 4.22Å; W155-Q191 HydrophobicContact CG-CB 4.12Å; W155-Q191 HydrophobicContact CG-CG 3.65Å; W155-Q191 HydrophobicContact CZ3-CB 4.2Å; L187-Q191 PolarHBondContact O-N 3.48Å; F188-Q191 PolarHBondContact O-N 3.08Å; Q191-S193 PolarHBondContact O-N 3.46Å; Q191-S193 VanDerWaalsContact O-N 3.09Å; Q191-I194 PolarHBondContact O-N 2.82Å; Q191-T202 VanDerWaalsContact CD-CG2 3.41Å; Q191-T202 HydrophobicContact CG-CG2 4.15Å; Q191-T202 PolarHBondContact NE2-OG1 2.81Å |
| 192 | L | 97.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63 | -16.4 | 179.1 | -71.2 | 169.5 | 0 | 0 | 0 | 112.9 | F188 Q189 M199 T202 L203 Y206 V232 Y236 | F188-L192 WeakPolarHBondContact O-CB 3.47Å; F188-L192 VanDerWaalsContact O-CG 3.31Å; F188-L192 WeakPolarHBondContact O-CG 3.23Å; F188-L192 PolarHBondContact O-N 3.33Å; Q189-L192 PolarHBondContact O-N 3.28Å; L192-M199 WeakPolarHBondContact O-CE 3.39Å; L192-T202 HydrophobicContact CD2-CG2 3.66Å; L192-T202 HydrophobicContact CG-CG2 4.03Å; L192-L203 HydrophobicContact CD1-CD1 4.36Å; L192-L203 HydrophobicContact CD2-CB 4.07Å; L192-L203 HydrophobicContact CD2-CD1 4.42Å; L192-Y206 HydrophobicContact CD1-CD1 3.65Å; L192-Y206 HydrophobicContact CD1-CE1 4.27Å; L192-Y206 HydrophobicContact CD1-CG 3.95Å; L192-V232 HydrophobicContact CB-CG1 4.44Å; L192-V232 HydrophobicContact CD1-CG1 3.82Å; L192-Y236 HydrophobicContact CB-CD2 4.41Å; L192-Y236 HydrophobicContact CD2-CD2 3.66Å; L192-Y236 HydrophobicContact CD2-CE2 4.01Å; L192-Y236 WeakPolarHBondContact O-CA 3.45Å |
| 193 | S | 96.6 | Very high | 96.2 | Very high | 49 Ų | 49 | 40.1 Ų | 40.1 | 34% | 0.343 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -4.5 | 173.3 | 80 | 0 | 0 | 0 | 0 | 114.5 | Q189 R190 Q191 | Q189-S193 PolarHBondContact O-N 2.87Å; R190-S193 PolarHBondContact O-N 2.97Å; R190-S193 PolarHBondContact O-OG 3.15Å; Q191-S193 PolarHBondContact O-N 3.46Å; Q191-S193 VanDerWaalsContact O-N 3.09Å |
| 194 | I | 96.2 | Very high | 96.2 | Very high | 19 Ų | 19 | 40.7 Ų | 40.7 | 10% | 0.097 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -112.4 | 136 | -174.6 | -60.8 | 166.1 | 0 | 0 | 0 | 109.6 | L146 W155 Q191 H196 M199 | L146-I194 HydrophobicContact CD2-CD1 4.09Å; L146-I194 HydrophobicContact CD2-CG1 4.19Å; L146-I194 HydrophobicContact CD2-CG2 4Å; W155-I194 HydrophobicContact CH2-CD1 3.81Å; W155-I194 HydrophobicContact CZ2-CD1 3.27Å; Q191-I194 PolarHBondContact O-N 2.82Å; I194-H196 VanDerWaalsContact CG2-CE1 3.5Å; I194-H196 WeakPolarHBondContact CG2-CE1 3.44Å; I194-H196 WeakPolarHBondContact CG2-NE2 3.45Å; I194-H196 PolarHBondContact O-N 3.23Å; I194-H196 VanDerWaalsContact O-N 3.13Å; I194-M199 VanDerWaalsContact O-SD 3.4Å |
| 195 | P | 96.1 | Very high | 96.2 | Very high | 4 Ų | 4 | 43 Ų | 43 | 3% | 0.026 | 21% | 0.207 | C | C | . | . | trans | -71.4 | 104.4 | 176.6 | 28.8 | -34.2 | 0 | 0 | 0 | 111.3 | R242 L243 I246 | P195-R242 HydrophobicContact CB-CB 4.25Å; P195-R242 HydrophobicContact CG-CB 4.31Å; P195-L243 HydrophobicContact CB-CB 3.87Å; P195-L243 HydrophobicContact CB-CD1 4.23Å; P195-I246 HydrophobicContact CB-CD1 4.48Å; P195-I246 HydrophobicContact CG-CD1 4.07Å | ||
| 196 | H | 96.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -121.2 | 154.9 | 171.2 | -63.7 | 133.3 | 0 | 0 | 0 | 111.1 | G145 N147 W155 I194 N198 M199 L243 | G145-H196 PolarHBondContact O-CE1 2.68Å; G145-H196 PolarHBondContact O-NE2 3.02Å; N147-H196 PolarHBondContact O-CD2 3.17Å; N147-H196 VanDerWaalsContact O-CD2 3.24Å; W155-H196 AromaticContact CD1-CE1 3.53Å; W155-H196 AromaticContact NE1-CE1 3.31Å; W155-H196 PolarHBondContact NE1-CE1 3.1Å; W155-H196 VanDerWaalsContact NE1-CE1 3.31Å; W155-H196 AromaticContact NE1-NE2 3.85Å; I194-H196 VanDerWaalsContact CG2-CE1 3.5Å; I194-H196 WeakPolarHBondContact CG2-CE1 3.44Å; I194-H196 WeakPolarHBondContact CG2-NE2 3.45Å; I194-H196 PolarHBondContact O-N 3.23Å; I194-H196 VanDerWaalsContact O-N 3.13Å; H196-N198 VanDerWaalsContact C-N 3.27Å; H196-N198 PolarHBondContact O-N 2.73Å; H196-M199 HydrophobicContact CB-CG 4.25Å; H196-M199 WeakPolarHBondContact O-CG 3.29Å; H196-M199 PolarHBondContact O-N 3.08Å; H196-L243 WeakPolarHBondContact O-CD2 3.25Å | ||
| 197 | L | 94.7 | Very high | 96 | Very high | 83 Ų | 83 | 41 Ų | 41 | 44% | 0.435 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -32.3 | 179.3 | -65.7 | 179.1 | 0 | 0 | 0 | 113.7 | V148 V149 L243 L247 | V148-L197 PolarHBondContact O-N 3.04Å; V149-L197 HydrophobicContact CB-CD1 4.28Å; V149-L197 HydrophobicContact CG1-CD1 4.11Å; V149-L197 HydrophobicContact CG2-CD1 4.25Å; L197-L243 HydrophobicContact CD2-CD1 4.31Å; L197-L247 HydrophobicContact CD2-CD1 3.6Å |
| 198 | N | 93.5 | Very high | 95.8 | Very high | 31 Ų | 31 | 44.1 Ų | 44.1 | 17% | 0.166 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 28.5 | -175.2 | 70.5 | -6.7 | 0 | 0 | 0 | 114.3 | S152 E156 H196 E200 Q201 T202 | S152-N198 VanDerWaalsContact CB-CG 3.45Å; S152-N198 VanDerWaalsContact CB-ND2 3.3Å; S152-N198 WeakPolarHBondContact CB-ND2 3.44Å; S152-N198 WeakPolarHBondContact CB-OD1 3.44Å; S152-N198 PolarHBondContact OG-ND2 3.44Å; S152-N198 VanDerWaalsContact OG-ND2 3.13Å; S152-N198 PolarHBondContact OG-OD1 3.45Å; E156-N198 PolarHBondContact OE1-ND2 3.27Å; H196-N198 VanDerWaalsContact C-N 3.27Å; H196-N198 PolarHBondContact O-N 2.73Å; N198-E200 VanDerWaalsContact C-N 3.3Å; N198-E200 PolarHBondContact O-N 2.86Å; N198-Q201 HydrophobicContact CB-CB 4.5Å; N198-Q201 WeakPolarHBondContact O-CB 3.47Å; N198-Q201 PolarHBondContact O-N 2.85Å; N198-T202 PolarHBondContact O-N 3.23Å; N198-T202 PolarHBondContact O-OG1 3.48Å |
| 199 | M | 94.8 | Very high | 95.7 | Very high | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.015 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.1 | -38.7 | -179.2 | -85.8 | -177.5 | 81.4 | 0 | 0 | 113.9 | L192 I194 H196 Q201 T202 L203 Y236 A239 L240 L243 | L192-M199 WeakPolarHBondContact O-CE 3.39Å; I194-M199 VanDerWaalsContact O-SD 3.4Å; H196-M199 HydrophobicContact CB-CG 4.25Å; H196-M199 WeakPolarHBondContact O-CG 3.29Å; H196-M199 PolarHBondContact O-N 3.08Å; M199-Q201 PolarHBondContact O-N 3.2Å; M199-T202 WeakPolarHBondContact O-CB 3.49Å; M199-T202 PolarHBondContact O-N 3.42Å; M199-L203 PolarHBondContact O-N 2.9Å; M199-Y236 HydrophobicContact CB-CE2 3.95Å; M199-Y236 HydrophobicContact CE-CD2 3.52Å; M199-Y236 HydrophobicContact CE-CE2 3.74Å; M199-Y236 HydrophobicContact CE-CG 4.35Å; M199-A239 HydrophobicContact CE-CB 3.28Å; M199-A239 HydrophobicContact SD-CB 4.06Å; M199-L240 HydrophobicContact CB-CD2 4.11Å; M199-L240 HydrophobicContact CE-CD2 4.24Å; M199-L240 HydrophobicContact CE-CG 4.19Å; M199-L240 HydrophobicContact SD-CD2 4Å; M199-L243 HydrophobicContact SD-CD2 4.35Å |
| 200 | E | 95 | Very high | 95.4 | Very high | 143 Ų | 143 | 42.2 Ų | 42.2 | 67% | 0.668 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -65.4 | -39.1 | 179.6 | -63.4 | -173.3 | 168.4 | 0 | 0 | 112.4 | N198 L203 T204 | N198-E200 VanDerWaalsContact C-N 3.3Å; N198-E200 PolarHBondContact O-N 2.86Å; E200-L203 PolarHBondContact O-N 3.26Å; E200-T204 PolarHBondContact O-N 3.4Å; E200-T204 VanDerWaalsContact O-N 3.13Å; E200-T204 PolarHBondContact O-OG1 3.18Å |
| 201 | Q | 96.3 | Very high | 95 | Very high | 102 Ų | 102 | 39.9 Ų | 39.9 | 48% | 0.477 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64.2 | -46.7 | 173.3 | -178.4 | -176 | -19.4 | 0 | 0 | 110.2 | N198 M199 L203 T204 E205 | N198-Q201 HydrophobicContact CB-CB 4.5Å; N198-Q201 WeakPolarHBondContact O-CB 3.47Å; N198-Q201 PolarHBondContact O-N 2.85Å; M199-Q201 PolarHBondContact O-N 3.2Å; Q201-L203 VanDerWaalsContact C-N 3.29Å; Q201-L203 PolarHBondContact O-N 3.28Å; Q201-T204 WeakPolarHBondContact O-CA 3.39Å; Q201-T204 WeakPolarHBondContact O-CB 3.25Å; Q201-T204 PolarHBondContact O-N 2.86Å; Q201-E205 WeakPolarHBondContact CG-OE1 3.43Å; Q201-E205 PolarHBondContact NE2-OE1 2.88Å; Q201-E205 PolarHBondContact O-N 3.21Å |
| 202 | T | 96.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.7 | -41 | 177.6 | -56.6 | 0 | 0 | 0 | 0 | 111.8 | F188 Q191 L192 N198 M199 T204 E205 Y206 | F188-T202 HydrophobicContact CD1-CG2 4.35Å; Q191-T202 VanDerWaalsContact CD-CG2 3.41Å; Q191-T202 HydrophobicContact CG-CG2 4.15Å; Q191-T202 PolarHBondContact NE2-OG1 2.81Å; L192-T202 HydrophobicContact CD2-CG2 3.66Å; L192-T202 HydrophobicContact CG-CG2 4.03Å; N198-T202 PolarHBondContact O-N 3.23Å; N198-T202 PolarHBondContact O-OG1 3.48Å; M199-T202 WeakPolarHBondContact O-CB 3.49Å; M199-T202 PolarHBondContact O-N 3.42Å; T202-T204 VanDerWaalsContact C-N 3.31Å; T202-T204 PolarHBondContact O-N 3.17Å; T202-E205 PolarHBondContact O-N 2.98Å; T202-Y206 WeakPolarHBondContact O-CB 3.31Å; T202-Y206 PolarHBondContact O-N 3.11Å |
| 203 | L | 96.1 | Very high | 94 | Very high | 25 Ų | 25 | 47.6 Ų | 47.6 | 13% | 0.131 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.7 | -35.8 | 176.4 | -177.8 | 65.7 | 0 | 0 | 0 | 111.9 | L192 M199 E200 Q201 Y206 K207 I228 Y236 | L192-L203 HydrophobicContact CD1-CD1 4.36Å; L192-L203 HydrophobicContact CD2-CB 4.07Å; L192-L203 HydrophobicContact CD2-CD1 4.42Å; M199-L203 PolarHBondContact O-N 2.9Å; E200-L203 PolarHBondContact O-N 3.26Å; Q201-L203 VanDerWaalsContact C-N 3.29Å; Q201-L203 PolarHBondContact O-N 3.28Å; L203-Y206 PolarHBondContact O-N 2.92Å; L203-K207 WeakPolarHBondContact O-CG 3.18Å; L203-K207 PolarHBondContact O-N 3.24Å; L203-I228 HydrophobicContact CD1-CD1 3.94Å; L203-Y236 HydrophobicContact CB-CE2 3.94Å; L203-Y236 HydrophobicContact CD2-CD1 4.17Å; L203-Y236 HydrophobicContact CD2-CE1 3.67Å; L203-Y236 HydrophobicContact CD2-CE2 4.2Å |
| 204 | T | 95.8 | Very high | 93.4 | Very high | 82 Ų | 82 | 45.3 Ų | 45.3 | 50% | 0.503 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.9 | -45.4 | 176.5 | -57 | 0 | 0 | 0 | 0 | 110.9 | E200 Q201 T202 Y206 K207 T208 | E200-T204 PolarHBondContact O-N 3.4Å; E200-T204 VanDerWaalsContact O-N 3.13Å; E200-T204 PolarHBondContact O-OG1 3.18Å; Q201-T204 WeakPolarHBondContact O-CA 3.39Å; Q201-T204 WeakPolarHBondContact O-CB 3.25Å; Q201-T204 PolarHBondContact O-N 2.86Å; T202-T204 VanDerWaalsContact C-N 3.31Å; T202-T204 PolarHBondContact O-N 3.17Å; T204-Y206 VanDerWaalsContact C-N 3.31Å; T204-Y206 PolarHBondContact O-N 3.21Å; T204-K207 WeakPolarHBondContact O-CB 3.14Å; T204-K207 PolarHBondContact O-N 3.09Å; T204-T208 PolarHBondContact O-N 2.71Å; T204-T208 VanDerWaalsContact O-N 3.08Å; T204-T208 PolarHBondContact O-OG1 3.13Å |
| 205 | E | 95.2 | Very high | 92.8 | Very high | 54 Ų | 54 | 48.7 Ų | 48.7 | 25% | 0.252 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.3 | -37.3 | 174.8 | -70.3 | 173 | -165.4 | 0 | 0 | 112.5 | R159 F188 Q201 T202 T208 F209 | R159-E205 IonicContact CZ-OE2 3.25Å; R159-E205 IonicContact NE-OE2 3.76Å; R159-E205 IonicContact NH2-OE2 3.55Å; R159-E205 PolarHBondContact NH2-OE2 2.98Å; F188-E205 HydrophobicContact CE1-CB 4.07Å; F188-E205 HydrophobicContact CZ-CB 4.43Å; Q201-E205 WeakPolarHBondContact CG-OE1 3.43Å; Q201-E205 PolarHBondContact NE2-OE1 2.88Å; Q201-E205 PolarHBondContact O-N 3.21Å; T202-E205 PolarHBondContact O-N 2.98Å; E205-T208 VanDerWaalsContact C-OG1 3.3Å; E205-T208 VanDerWaalsContact CA-OG1 3.28Å; E205-T208 WeakPolarHBondContact CA-OG1 3.29Å; E205-T208 PolarHBondContact O-N 2.97Å; E205-T208 PolarHBondContact O-OG1 2.89Å; E205-F209 WeakPolarHBondContact O-CB 3.44Å; E205-F209 PolarHBondContact O-N 2.89Å |
| 206 | Y | 95.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.1 | -39.6 | 175.2 | -177.4 | -128.4 | 0 | 0 | 0 | 112 | D185 F188 L192 T202 L203 T204 T208 F209 L210 I228 V232 | D185-Y206 PolarHBondContact OD1-OH 3.42Å; F188-Y206 HydrophobicContact CB-CD2 3.44Å; F188-Y206 VanDerWaalsContact CB-CD2 3.44Å; F188-Y206 HydrophobicContact CB-CE2 3.79Å; F188-Y206 HydrophobicContact CB-CG 4.13Å; F188-Y206 AromaticContact CD1-CD2 3.94Å; F188-Y206 HydrophobicContact CD1-CD2 3.94Å; F188-Y206 HydrophobicContact CD1-CG 4.21Å; F188-Y206 AromaticContact CD2-CD2 3.79Å; F188-Y206 HydrophobicContact CD2-CD2 3.79Å; F188-Y206 HydrophobicContact CD2-CE2 4.41Å; F188-Y206 HydrophobicContact CE2-CD2 4.47Å; F188-Y206 AromaticContact CG-CD2 3.48Å; F188-Y206 HydrophobicContact CG-CD2 3.48Å; F188-Y206 VanDerWaalsContact CG-CD2 3.48Å; F188-Y206 HydrophobicContact CG-CE2 4.23Å; F188-Y206 HydrophobicContact CG-CG 4.18Å; L192-Y206 HydrophobicContact CD1-CD1 3.65Å; L192-Y206 HydrophobicContact CD1-CE1 4.27Å; L192-Y206 HydrophobicContact CD1-CG 3.95Å; T202-Y206 WeakPolarHBondContact O-CB 3.31Å; T202-Y206 PolarHBondContact O-N 3.11Å; L203-Y206 PolarHBondContact O-N 2.92Å; T204-Y206 VanDerWaalsContact C-N 3.31Å; T204-Y206 PolarHBondContact O-N 3.21Å; Y206-T208 VanDerWaalsContact C-N 3.35Å; Y206-T208 PolarHBondContact O-N 2.89Å; Y206-F209 AromaticContact CD2-CD1 3.95Å; Y206-F209 HydrophobicContact CD2-CD1 3.95Å; Y206-F209 HydrophobicContact CE2-CD1 4.05Å; Y206-F209 HydrophobicContact CE2-CE1 4.39Å; Y206-F209 PolarHBondContact O-N 3.05Å; Y206-L210 HydrophobicContact CD1-CD1 4.23Å; Y206-L210 HydrophobicContact CD2-CG 4.22Å; Y206-L210 HydrophobicContact CE1-CD1 3.72Å; Y206-L210 HydrophobicContact CE1-CG 4.42Å; Y206-L210 HydrophobicContact CE2-CD1 4.03Å; Y206-L210 HydrophobicContact CE2-CD2 3.97Å; Y206-L210 HydrophobicContact CE2-CG 3.86Å; Y206-L210 WeakPolarHBondContact O-CG 3.38Å; Y206-L210 PolarHBondContact O-N 3.31Å; Y206-I228 HydrophobicContact CD1-CG1 4.28Å; Y206-I228 HydrophobicContact CE1-CG1 4.27Å; Y206-I228 HydrophobicContact CE1-CG2 4.21Å; Y206-V232 HydrophobicContact CE1-CG1 4Å |
| 207 | K | 92.8 | Very high | 91.3 | Very high | 106 Ų | 106 | 57.4 Ų | 57.4 | 46% | 0.461 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.6 | -44.6 | 173.6 | -72.4 | 169.2 | -176.8 | 171.1 | 0 | 111.5 | L203 T204 L210 S211 I228 | L203-K207 WeakPolarHBondContact O-CG 3.18Å; L203-K207 PolarHBondContact O-N 3.24Å; T204-K207 WeakPolarHBondContact O-CB 3.14Å; T204-K207 PolarHBondContact O-N 3.09Å; K207-L210 PolarHBondContact O-N 2.91Å; K207-S211 PolarHBondContact O-N 2.77Å; K207-S211 PolarHBondContact O-OG 3.23Å; K207-I228 HydrophobicContact CD-CD1 4.17Å; K207-I228 VanDerWaalsContact CE-CD1 3.47Å; K207-I228 HydrophobicContact CG-CD1 3.61Å; K207-I228 HydrophobicContact CG-CG1 4.23Å |
| 208 | T | 93 | Very high | 90.5 | Very high | 69 Ų | 69 | 56.8 Ų | 56.8 | 42% | 0.423 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.6 | -40.6 | 177.1 | 51.4 | 0 | 0 | 0 | 0 | 111.8 | T204 E205 Y206 L210 S211 D212 | T204-T208 PolarHBondContact O-N 2.71Å; T204-T208 VanDerWaalsContact O-N 3.08Å; T204-T208 PolarHBondContact O-OG1 3.13Å; E205-T208 VanDerWaalsContact C-OG1 3.3Å; E205-T208 VanDerWaalsContact CA-OG1 3.28Å; E205-T208 WeakPolarHBondContact CA-OG1 3.29Å; E205-T208 PolarHBondContact O-N 2.97Å; E205-T208 PolarHBondContact O-OG1 2.89Å; Y206-T208 VanDerWaalsContact C-N 3.35Å; Y206-T208 PolarHBondContact O-N 2.89Å; T208-L210 PolarHBondContact O-N 3.41Å; T208-S211 WeakPolarHBondContact CA-OG 3.31Å; T208-S211 PolarHBondContact O-N 3.02Å; T208-S211 PolarHBondContact O-OG 3Å; T208-D212 VanDerWaalsContact O-CB 3.29Å; T208-D212 WeakPolarHBondContact O-CB 3.4Å; T208-D212 PolarHBondContact O-N 3.43Å |
| 209 | F | 93.8 | Very high | 89.2 | Confident | 14 Ų | 14 | 63.9 Ų | 63.9 | 6% | 0.061 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.1 | -47.6 | 174.5 | 164.7 | -101.4 | 0 | 0 | 0 | 111.8 | L181 M184 D185 F188 E205 Y206 D212 I213 G214 L217 | L181-F209 HydrophobicContact CD2-CE2 4.05Å; L181-F209 HydrophobicContact CD2-CZ 4.23Å; M184-F209 HydrophobicContact CB-CE2 3.91Å; M184-F209 HydrophobicContact CB-CZ 3.87Å; M184-F209 HydrophobicContact CE-CD2 4.04Å; M184-F209 HydrophobicContact CE-CE2 3.67Å; M184-F209 HydrophobicContact SD-CE2 4.18Å; D185-F209 HydrophobicContact CB-CE1 4.14Å; D185-F209 HydrophobicContact CB-CZ 4.47Å; F188-F209 AromaticContact CD2-CD1 3.99Å; F188-F209 HydrophobicContact CD2-CD1 3.99Å; F188-F209 HydrophobicContact CD2-CE1 4.39Å; F188-F209 HydrophobicContact CD2-CG 4.18Å; F188-F209 HydrophobicContact CE2-CB 3.76Å; F188-F209 AromaticContact CE2-CD1 3.93Å; F188-F209 HydrophobicContact CE2-CD1 3.93Å; F188-F209 HydrophobicContact CE2-CD2 4.05Å; F188-F209 AromaticContact CE2-CG 3.63Å; F188-F209 HydrophobicContact CE2-CG 3.63Å; F188-F209 HydrophobicContact CZ-CB 4.04Å; F188-F209 HydrophobicContact CZ-CG 4.4Å; E205-F209 WeakPolarHBondContact O-CB 3.44Å; E205-F209 PolarHBondContact O-N 2.89Å; Y206-F209 AromaticContact CD2-CD1 3.95Å; Y206-F209 HydrophobicContact CD2-CD1 3.95Å; Y206-F209 HydrophobicContact CE2-CD1 4.05Å; Y206-F209 HydrophobicContact CE2-CE1 4.39Å; Y206-F209 PolarHBondContact O-N 3.05Å; F209-D212 PolarHBondContact O-N 3.4Å; F209-I213 HydrophobicContact CD2-CD1 3.69Å; F209-I213 HydrophobicContact CD2-CG1 3.61Å; F209-I213 HydrophobicContact CE2-CD1 3.62Å; F209-I213 HydrophobicContact CE2-CG1 3.66Å; F209-I213 PolarHBondContact O-N 3.18Å; F209-I213 VanDerWaalsContact O-N 3.13Å; F209-G214 PolarHBondContact O-N 3.02Å; F209-L217 HydrophobicContact CE1-CD1 4.34Å; F209-L217 HydrophobicContact CZ-CD1 4.35Å |
| 210 | L | 92 | Very high | 87.6 | Confident | 2 Ų | 2 | 67.6 Ų | 67.6 | 1% | 0.01 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.5 | -35.7 | 178.6 | -70 | -177.7 | 0 | 0 | 0 | 112.9 | Y206 K207 T208 G214 I215 Y218 F227 I228 | Y206-L210 HydrophobicContact CD1-CD1 4.23Å; Y206-L210 HydrophobicContact CD2-CG 4.22Å; Y206-L210 HydrophobicContact CE1-CD1 3.72Å; Y206-L210 HydrophobicContact CE1-CG 4.42Å; Y206-L210 HydrophobicContact CE2-CD1 4.03Å; Y206-L210 HydrophobicContact CE2-CD2 3.97Å; Y206-L210 HydrophobicContact CE2-CG 3.86Å; Y206-L210 WeakPolarHBondContact O-CG 3.38Å; Y206-L210 PolarHBondContact O-N 3.31Å; K207-L210 PolarHBondContact O-N 2.91Å; T208-L210 PolarHBondContact O-N 3.41Å; L210-G214 CarbonylContact O-C 3.53Å; L210-I215 WeakPolarHBondContact O-CG1 3.38Å; L210-I215 PolarHBondContact O-N 3.49Å; L210-I215 VanDerWaalsContact O-N 3.1Å; L210-Y218 HydrophobicContact CD2-CD2 3.86Å; L210-Y218 HydrophobicContact CD2-CE2 4.13Å; L210-F227 HydrophobicContact CB-CB 4.07Å; L210-F227 HydrophobicContact CD1-CB 4.08Å; L210-I228 HydrophobicContact CD1-CG1 4.21Å |
| 211 | S | 88.1 | Confident | 85.9 | Confident | 48 Ų | 48 | 67.5 Ų | 67.5 | 34% | 0.336 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -73.7 | -29.8 | 178.4 | 64.3 | 0 | 0 | 0 | 0 | 113.5 | K207 T208 I215 | K207-S211 PolarHBondContact O-N 2.77Å; K207-S211 PolarHBondContact O-OG 3.23Å; T208-S211 WeakPolarHBondContact CA-OG 3.31Å; T208-S211 PolarHBondContact O-N 3.02Å; T208-S211 PolarHBondContact O-OG 3Å; S211-I215 WeakPolarHBondContact O-CD1 3.19Å; S211-I215 VanDerWaalsContact O-CG1 3.28Å; S211-I215 WeakPolarHBondContact O-CG1 3.13Å |
| 212 | D | 87.2 | Confident | 84 | Confident | 117 Ų | 117 | 72.1 Ų | 72.1 | 63% | 0.626 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -96.4 | -56.1 | -169.2 | -66.7 | 1.5 | 0 | 0 | 0 | 111.8 | T208 F209 | T208-D212 VanDerWaalsContact O-CB 3.29Å; T208-D212 WeakPolarHBondContact O-CB 3.4Å; T208-D212 PolarHBondContact O-N 3.43Å; F209-D212 PolarHBondContact O-N 3.4Å |
| 213 | I | 87 | Confident | 82.1 | Confident | 48 Ų | 48 | 81 Ų | 81 | 25% | 0.246 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | -22.6 | -175 | 60.5 | 174.3 | 0 | 0 | 0 | 113.3 | W166 L181 M184 F209 I215 | W166-I213 HydrophobicContact CH2-CB 4.24Å; W166-I213 HydrophobicContact CH2-CG2 3.69Å; W166-I213 HydrophobicContact CZ2-CB 4.34Å; W166-I213 HydrophobicContact CZ2-CG2 4.29Å; W166-I213 HydrophobicContact CZ3-CG2 4.12Å; L181-I213 HydrophobicContact CD2-CB 4.26Å; L181-I213 HydrophobicContact CD2-CD1 3.96Å; L181-I213 HydrophobicContact CD2-CG1 4.06Å; M184-I213 HydrophobicContact CE-CD1 4.07Å; F209-I213 HydrophobicContact CD2-CD1 3.69Å; F209-I213 HydrophobicContact CD2-CG1 3.61Å; F209-I213 HydrophobicContact CE2-CD1 3.62Å; F209-I213 HydrophobicContact CE2-CG1 3.66Å; F209-I213 PolarHBondContact O-N 3.18Å; F209-I213 VanDerWaalsContact O-N 3.13Å; I213-I215 VanDerWaalsContact C-N 3.33Å; I213-I215 PolarHBondContact O-N 3.21Å |
| 214 | G | 85.8 | Confident | 80.3 | Confident | 1 Ų | 1 | 82 Ų | 82 | 1% | 0.01 | 41% | 0.406 | C | S | . | . | G | 310 helix | trans | -84.1 | 3.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | F209 L210 E216 L217 | F209-G214 PolarHBondContact O-N 3.02Å; L210-G214 CarbonylContact O-C 3.53Å; G214-E216 PolarHBondContact O-N 2.87Å; G214-E216 VanDerWaalsContact O-N 3.11Å; G214-L217 WeakPolarHBondContact O-CB 3.27Å; G214-L217 PolarHBondContact O-N 3.47Å |
| 215 | I | 82.4 | Confident | 78.7 | Confident | 89 Ų | 89 | 86.2 Ų | 86.2 | 46% | 0.456 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -55.1 | -33.5 | -178.4 | -53.5 | 175.9 | 0 | 0 | 0 | 111.4 | L210 S211 I213 L217 | L210-I215 WeakPolarHBondContact O-CG1 3.38Å; L210-I215 PolarHBondContact O-N 3.49Å; L210-I215 VanDerWaalsContact O-N 3.1Å; S211-I215 WeakPolarHBondContact O-CD1 3.19Å; S211-I215 VanDerWaalsContact O-CG1 3.28Å; S211-I215 WeakPolarHBondContact O-CG1 3.13Å; I213-I215 VanDerWaalsContact C-N 3.33Å; I213-I215 PolarHBondContact O-N 3.21Å; I215-L217 VanDerWaalsContact C-N 3.29Å; I215-L217 PolarHBondContact O-N 3.4Å |
| 216 | E | 78 | Confident | 77.4 | Confident | 155 Ų | 155 | 86.4 Ų | 86.4 | 72% | 0.724 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -69 | -23.9 | -179.7 | -63.7 | -171.2 | 170.3 | 0 | 0 | 113.7 | G214 | G214-E216 PolarHBondContact O-N 2.87Å; G214-E216 VanDerWaalsContact O-N 3.11Å |
| 217 | L | 83.5 | Confident | 76.6 | Confident | 33 Ų | 33 | 89.8 Ų | 89.8 | 17% | 0.173 | 45% | 0.447 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -39.8 | -176.7 | -63.1 | 176.6 | 0 | 0 | 0 | 112.2 | L178 L181 N182 D185 F209 G214 I215 | L178-L217 HydrophobicContact CD1-CD2 3.76Å; L181-L217 HydrophobicContact CB-CD1 4.28Å; L181-L217 HydrophobicContact CB-CD2 4.21Å; L181-L217 HydrophobicContact CB-CG 4.44Å; N182-L217 WeakPolarHBondContact OD1-CD2 3.21Å; D185-L217 HydrophobicContact CB-CD1 3.63Å; F209-L217 HydrophobicContact CE1-CD1 4.34Å; F209-L217 HydrophobicContact CZ-CD1 4.35Å; G214-L217 WeakPolarHBondContact O-CB 3.27Å; G214-L217 PolarHBondContact O-N 3.47Å; I215-L217 VanDerWaalsContact C-N 3.29Å; I215-L217 PolarHBondContact O-N 3.4Å |
| 218 | Y | 78.4 | Confident | 76.3 | Confident | 70 Ų | 70 | 85.9 Ų | 85.9 | 28% | 0.275 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -130.2 | 115.7 | -174.9 | -60.7 | -65.1 | 0 | 0 | 0 | 111 | D185 Q189 L210 P229 | D185-Y218 PolarHBondContact OD2-OH 3.49Å; D185-Y218 VanDerWaalsContact OD2-OH 3.11Å; Q189-Y218 PolarHBondContact NE2-OH 2.78Å; L210-Y218 HydrophobicContact CD2-CD2 3.86Å; L210-Y218 HydrophobicContact CD2-CE2 4.13Å; Y218-P229 HydrophobicContact CD1-CG 4.2Å; Y218-P229 HydrophobicContact CD2-CG 4.17Å; Y218-P229 HydrophobicContact CE1-CG 3.7Å; Y218-P229 HydrophobicContact CE2-CG 3.66Å; Y218-P229 HydrophobicContact CG-CG 4.42Å |
| 219 | Q | 65.9 | Low | 76 | Confident | 179 Ų | 179 | 83 Ų | 83 | 84% | 0.836 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -69 | 135.5 | 170.4 | -66.7 | -175.1 | -1.5 | 0 | 0 | 110.1 | R221 | Q219-R221 PolarHBondContact O-N 3.31Š|
| 220 | P | 60.8 | Low | 75.8 | Confident | 82 Ų | 82 | 86.5 Ų | 86.5 | 53% | 0.532 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 125.4 | 177.6 | 19.5 | -28 | 0 | 0 | 0 | 110.3 | F227 | P220-F227 HydrophobicContact CB-CD1 4.43Å; P220-F227 HydrophobicContact CB-CE1 3.83Å; P220-F227 HydrophobicContact CB-CZ 4.37Å; P220-F227 HydrophobicContact CG-CE1 4.08Å |
| 221 | R | 59.2 | Low | 75.7 | Confident | 140 Ų | 140 | 91.9 Ų | 91.9 | 53% | 0.528 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 135.7 | 175.7 | -67.5 | 178.6 | -179.7 | 174.7 | -0.4 | 108.1 | Q219 H223 S224 | Q219-R221 PolarHBondContact O-N 3.31Å; R221-H223 PolarHBondContact O-N 3.19Å; R221-S224 PolarHBondContact O-N 3.16Å; R221-S224 VanDerWaalsContact O-N 3.1Å |
| 222 | K | 58.1 | Low | 76 | Confident | 199 Ų | 199 | 89.7 Ų | 89.7 | 87% | 0.865 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.7 | -13.7 | -172.9 | -67.3 | -177.5 | 178.4 | 179.4 | 0 | 116.9 | ||
| 223 | H | 54.7 | Low | 76.2 | Confident | 187 Ų | 187 | 88.5 Ų | 88.5 | 87% | 0.866 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139 | 22.3 | -175.9 | -61.5 | -56.7 | 0 | 0 | 0 | 114.4 | R221 | R221-H223 PolarHBondContact O-N 3.19Š|
| 224 | S | 59.5 | Low | 76.5 | Confident | 48 Ų | 48 | 88.7 Ų | 88.7 | 34% | 0.336 | 43% | 0.433 | S | S | . | . | trans | -143.2 | 122.6 | 175.1 | 159.8 | 0 | 0 | 0 | 0 | 110.4 | R221 S226 | R221-S224 PolarHBondContact O-N 3.16Å; R221-S224 VanDerWaalsContact O-N 3.1Å; S224-S226 PolarHBondContact O-N 3.41Å; S224-S226 PolarHBondContact OG-N 3.34Å; S224-S226 VanDerWaalsContact OG-N 3.14Å; S224-S226 PolarHBondContact OG-O 3Å | ||
| 225 | D | 60.8 | Low | 77 | Confident | 169 Ų | 169 | 92.7 Ų | 92.7 | 90% | 0.904 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -70.5 | -11 | 172.1 | -71.4 | -20.9 | 0 | 0 | 0 | 112.7 | ||
| 226 | S | 68.4 | Low | 77.7 | Confident | 58 Ų | 58 | 89.4 Ų | 89.4 | 41% | 0.406 | 43% | 0.433 | S | S | . | . | trans | -83 | 120.4 | 177.2 | 177.3 | 0 | 0 | 0 | 0 | 111.3 | S224 I228 | S224-S226 PolarHBondContact O-N 3.41Å; S224-S226 PolarHBondContact OG-N 3.34Å; S224-S226 VanDerWaalsContact OG-N 3.14Å; S224-S226 PolarHBondContact OG-O 3Å; S226-I228 VanDerWaalsContact C-N 3.26Å; S226-I228 PolarHBondContact O-N 3.47Å; S226-I228 PolarHBondContact OG-N 3.48Å | ||
| 227 | F | 78.8 | Confident | 78.5 | Confident | 71 Ų | 71 | 86.3 Ų | 86.3 | 31% | 0.311 | 42% | 0.419 | S | S | . | . | trans | -76.4 | -7.2 | 172 | -64 | -88.1 | 0 | 0 | 0 | 113.5 | L210 P220 | L210-F227 HydrophobicContact CB-CB 4.07Å; L210-F227 HydrophobicContact CD1-CB 4.08Å; P220-F227 HydrophobicContact CB-CD1 4.43Å; P220-F227 HydrophobicContact CB-CE1 3.83Å; P220-F227 HydrophobicContact CB-CZ 4.37Å; P220-F227 HydrophobicContact CG-CE1 4.08Å | ||
| 228 | I | 86.1 | Confident | 79.1 | Confident | 24 Ų | 24 | 90.3 Ų | 90.3 | 12% | 0.123 | 44% | 0.435 | C | S | . | . | S | Bend | trans | -72.2 | 128 | -177.5 | -61.9 | 161 | 0 | 0 | 0 | 110.8 | L203 Y206 K207 L210 S226 V232 K233 | L203-I228 HydrophobicContact CD1-CD1 3.94Å; Y206-I228 HydrophobicContact CD1-CG1 4.28Å; Y206-I228 HydrophobicContact CE1-CG1 4.27Å; Y206-I228 HydrophobicContact CE1-CG2 4.21Å; K207-I228 HydrophobicContact CD-CD1 4.17Å; K207-I228 VanDerWaalsContact CE-CD1 3.47Å; K207-I228 HydrophobicContact CG-CD1 3.61Å; K207-I228 HydrophobicContact CG-CG1 4.23Å; L210-I228 HydrophobicContact CD1-CG1 4.21Å; S226-I228 VanDerWaalsContact C-N 3.26Å; S226-I228 PolarHBondContact O-N 3.47Å; S226-I228 PolarHBondContact OG-N 3.48Å; I228-V232 HydrophobicContact CG2-CB 4.23Å; I228-V232 HydrophobicContact CG2-CG1 4.43Å; I228-K233 HydrophobicContact CG2-CB 4.45Å |
| 229 | P | 88.5 | Confident | 79.9 | Confident | 10 Ų | 10 | 87 Ų | 87 | 7% | 0.065 | 42% | 0.422 | C | S | . | . | trans | -60.5 | 141.5 | 171 | -21.1 | 32.1 | 0 | 0 | 0 | 112.3 | Y218 E231 V232 K233 | Y218-P229 HydrophobicContact CD1-CG 4.2Å; Y218-P229 HydrophobicContact CD2-CG 4.17Å; Y218-P229 HydrophobicContact CE1-CG 3.7Å; Y218-P229 HydrophobicContact CE2-CG 3.66Å; Y218-P229 HydrophobicContact CG-CG 4.42Å; P229-E231 PolarHBondContact O-N 3.3Å; P229-V232 HydrophobicContact CB-CG2 4Å; P229-V232 HydrophobicContact CG-CG2 4.11Å; P229-V232 PolarHBondContact O-N 3.19Å; P229-K233 PolarHBondContact O-N 3.09Å | ||
| 230 | E | 88.5 | Confident | 81.3 | Confident | 87 Ų | 87 | 81.1 Ų | 81.1 | 41% | 0.407 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.1 | -33 | -176.7 | -163.9 | 65.3 | -159 | 0 | 0 | 111.1 | V232 K233 T234 | E230-V232 PolarHBondContact O-N 3.24Å; E230-K233 PolarHBondContact O-N 3.43Å; E230-K233 IonicContact OE1-NZ 2.68Å; E230-T234 WeakPolarHBondContact O-CG2 3.43Å; E230-T234 PolarHBondContact O-N 3.39Å |
| 231 | E | 90.4 | Very high | 82.9 | Confident | 115 Ų | 115 | 82.8 Ų | 82.8 | 54% | 0.537 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -56.4 | -49.8 | 175.8 | -62.2 | 74.5 | -162.7 | 0 | 0 | 110.8 | P229 K233 T234 E235 | P229-E231 PolarHBondContact O-N 3.3Å; E231-K233 VanDerWaalsContact C-N 3.34Å; E231-K233 PolarHBondContact O-N 2.88Å; E231-T234 PolarHBondContact O-N 3.45Å; E231-T234 PolarHBondContact O-OG1 3.44Å; E231-E235 PolarHBondContact O-N 3.27Å |
| 232 | V | 93.2 | Very high | 84.6 | Confident | 2 Ų | 2 | 79 Ų | 79 | 1% | 0.012 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 179.6 | -178.6 | 0 | 0 | 0 | 0 | 110.9 | Q189 L192 Y206 I228 P229 E230 T234 E235 Y236 | Q189-V232 HydrophobicContact CB-CG2 4.34Å; Q189-V232 HydrophobicContact CG-CG1 4.41Å; Q189-V232 HydrophobicContact CG-CG2 3.55Å; L192-V232 HydrophobicContact CB-CG1 4.44Å; L192-V232 HydrophobicContact CD1-CG1 3.82Å; Y206-V232 HydrophobicContact CE1-CG1 4Å; I228-V232 HydrophobicContact CG2-CB 4.23Å; I228-V232 HydrophobicContact CG2-CG1 4.43Å; P229-V232 HydrophobicContact CB-CG2 4Å; P229-V232 HydrophobicContact CG-CG2 4.11Å; P229-V232 PolarHBondContact O-N 3.19Å; E230-V232 PolarHBondContact O-N 3.24Å; V232-T234 VanDerWaalsContact C-N 3.34Å; V232-T234 PolarHBondContact O-N 3.13Å; V232-E235 PolarHBondContact O-N 2.94Å; V232-Y236 VanDerWaalsContact O-CB 3.27Å; V232-Y236 WeakPolarHBondContact O-CB 3.5Å; V232-Y236 PolarHBondContact O-N 3.28Å |
| 233 | K | 92.3 | Very high | 86.4 | Confident | 92 Ų | 92 | 70.5 Ų | 70.5 | 40% | 0.4 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61 | -43.5 | 176 | -174 | -176 | 169.8 | -159.4 | 0 | 111.5 | I228 P229 E230 E231 E235 Y236 E237 | I228-K233 HydrophobicContact CG2-CB 4.45Å; P229-K233 PolarHBondContact O-N 3.09Å; E230-K233 PolarHBondContact O-N 3.43Å; E230-K233 IonicContact OE1-NZ 2.68Å; E231-K233 VanDerWaalsContact C-N 3.34Å; E231-K233 PolarHBondContact O-N 2.88Å; K233-E235 VanDerWaalsContact C-N 3.35Å; K233-E235 PolarHBondContact O-N 3.2Å; K233-Y236 PolarHBondContact O-N 3.46Å; K233-E237 VanDerWaalsContact CE-OE1 3.23Å; K233-E237 WeakPolarHBondContact CE-OE1 3.27Å; K233-E237 WeakPolarHBondContact O-CG 3.49Å; K233-E237 PolarHBondContact O-N 2.87Å |
| 234 | T | 94.2 | Very high | 88.3 | Confident | 52 Ų | 52 | 64.8 Ų | 64.8 | 32% | 0.319 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -68.7 | -31.4 | 178 | 67.3 | 0 | 0 | 0 | 0 | 113.3 | E230 E231 V232 K238 | E230-T234 WeakPolarHBondContact O-CG2 3.43Å; E230-T234 PolarHBondContact O-N 3.39Å; E231-T234 PolarHBondContact O-N 3.45Å; E231-T234 PolarHBondContact O-OG1 3.44Å; V232-T234 VanDerWaalsContact C-N 3.34Å; V232-T234 PolarHBondContact O-N 3.13Å; T234-K238 WeakPolarHBondContact O-CD 3.34Å; T234-K238 VanDerWaalsContact O-CG 3.25Å; T234-K238 WeakPolarHBondContact O-CG 3.46Å; T234-K238 PolarHBondContact O-N 2.72Å |
| 235 | E | 95.3 | Very high | 90 | Very high | 85 Ų | 85 | 63.6 Ų | 63.6 | 40% | 0.397 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -73.3 | -41.4 | 175.2 | -72.2 | -176.9 | 162.2 | 0 | 0 | 111.4 | E231 V232 K233 K238 A239 | E231-E235 PolarHBondContact O-N 3.27Å; V232-E235 PolarHBondContact O-N 2.94Å; K233-E235 VanDerWaalsContact C-N 3.35Å; K233-E235 PolarHBondContact O-N 3.2Å; E235-K238 PolarHBondContact O-N 3.27Å; E235-A239 WeakPolarHBondContact O-CB 3.23Å; E235-A239 PolarHBondContact O-N 3.37Å |
| 236 | Y | 96.8 | Very high | 91.6 | Very high | 20 Ų | 20 | 56 Ų | 56 | 8% | 0.078 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.6 | -48 | 172.5 | 174.6 | -98.1 | 0 | 0 | 0 | 112.5 | L192 M199 L203 V232 K233 K238 A239 L240 | L192-Y236 HydrophobicContact CB-CD2 4.41Å; L192-Y236 HydrophobicContact CD2-CD2 3.66Å; L192-Y236 HydrophobicContact CD2-CE2 4.01Å; L192-Y236 WeakPolarHBondContact O-CA 3.45Å; M199-Y236 HydrophobicContact CB-CE2 3.95Å; M199-Y236 HydrophobicContact CE-CD2 3.52Å; M199-Y236 HydrophobicContact CE-CE2 3.74Å; M199-Y236 HydrophobicContact CE-CG 4.35Å; L203-Y236 HydrophobicContact CB-CE2 3.94Å; L203-Y236 HydrophobicContact CD2-CD1 4.17Å; L203-Y236 HydrophobicContact CD2-CE1 3.67Å; L203-Y236 HydrophobicContact CD2-CE2 4.2Å; V232-Y236 VanDerWaalsContact O-CB 3.27Å; V232-Y236 WeakPolarHBondContact O-CB 3.5Å; V232-Y236 PolarHBondContact O-N 3.28Å; K233-Y236 PolarHBondContact O-N 3.46Å; Y236-K238 VanDerWaalsContact C-N 3.33Å; Y236-K238 PolarHBondContact O-N 3.28Å; Y236-A239 PolarHBondContact O-N 3.18Å; Y236-A239 VanDerWaalsContact O-N 3.12Å; Y236-L240 HydrophobicContact CD1-CD1 4.07Å; Y236-L240 HydrophobicContact CD1-CG 4.48Å; Y236-L240 HydrophobicContact CE1-CD1 3.33Å; Y236-L240 HydrophobicContact CE1-CG 3.98Å; Y236-L240 HydrophobicContact CE2-CG 4.38Å; Y236-L240 PolarHBondContact O-N 2.93Å |
| 237 | E | 95.7 | Very high | 92.9 | Very high | 90 Ų | 90 | 55.9 Ų | 55.9 | 42% | 0.421 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.5 | -42.8 | 177 | -74.7 | 171.3 | -179.2 | 0 | 0 | 111.6 | K233 A239 L240 E241 | K233-E237 VanDerWaalsContact CE-OE1 3.23Å; K233-E237 WeakPolarHBondContact CE-OE1 3.27Å; K233-E237 WeakPolarHBondContact O-CG 3.49Å; K233-E237 PolarHBondContact O-N 2.87Å; E237-A239 VanDerWaalsContact C-N 3.33Å; E237-A239 PolarHBondContact O-N 3.12Å; E237-L240 PolarHBondContact O-N 2.88Å; E237-E241 WeakPolarHBondContact O-CG 3.23Å; E237-E241 PolarHBondContact O-N 3.49Å |
| 238 | K | 94.7 | Very high | 93.8 | Very high | 117 Ų | 117 | 56 Ų | 56 | 51% | 0.509 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.8 | -38.3 | 174.4 | -70.9 | 165.9 | -168.1 | 153.1 | 0 | 112.4 | T234 E235 Y236 E241 R242 | T234-K238 WeakPolarHBondContact O-CD 3.34Å; T234-K238 VanDerWaalsContact O-CG 3.25Å; T234-K238 WeakPolarHBondContact O-CG 3.46Å; T234-K238 PolarHBondContact O-N 2.72Å; E235-K238 PolarHBondContact O-N 3.27Å; Y236-K238 VanDerWaalsContact C-N 3.33Å; Y236-K238 PolarHBondContact O-N 3.28Å; K238-E241 PolarHBondContact O-N 2.72Å; K238-R242 VanDerWaalsContact O-CG 3.29Å; K238-R242 WeakPolarHBondContact O-CG 3.49Å; K238-R242 PolarHBondContact O-N 2.9Å |
| 239 | A | 95.6 | Very high | 94.3 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.008 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68.9 | -37.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | M199 E235 Y236 E237 R242 L243 | M199-A239 HydrophobicContact CE-CB 3.28Å; M199-A239 HydrophobicContact SD-CB 4.06Å; E235-A239 WeakPolarHBondContact O-CB 3.23Å; E235-A239 PolarHBondContact O-N 3.37Å; Y236-A239 PolarHBondContact O-N 3.18Å; Y236-A239 VanDerWaalsContact O-N 3.12Å; E237-A239 VanDerWaalsContact C-N 3.33Å; E237-A239 PolarHBondContact O-N 3.12Å; A239-R242 WeakPolarHBondContact O-CB 3.39Å; A239-R242 PolarHBondContact O-N 3.41Å; A239-L243 WeakPolarHBondContact O-CB 3.33Å; A239-L243 PolarHBondContact O-N 2.94Å |
| 240 | L | 95.9 | Very high | 94.7 | Very high | 55 Ų | 55 | 56.7 Ų | 56.7 | 29% | 0.288 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 170.5 | -75.3 | -178.6 | 0 | 0 | 0 | 112.6 | M199 Y236 E237 R242 L243 A244 | M199-L240 HydrophobicContact CB-CD2 4.11Å; M199-L240 HydrophobicContact CE-CD2 4.24Å; M199-L240 HydrophobicContact CE-CG 4.19Å; M199-L240 HydrophobicContact SD-CD2 4Å; Y236-L240 HydrophobicContact CD1-CD1 4.07Å; Y236-L240 HydrophobicContact CD1-CG 4.48Å; Y236-L240 HydrophobicContact CE1-CD1 3.33Å; Y236-L240 HydrophobicContact CE1-CG 3.98Å; Y236-L240 HydrophobicContact CE2-CG 4.38Å; Y236-L240 PolarHBondContact O-N 2.93Å; E237-L240 PolarHBondContact O-N 2.88Å; L240-R242 PolarHBondContact O-N 2.87Å; L240-L243 PolarHBondContact O-N 3.34Å; L240-A244 PolarHBondContact O-N 3.08Å |
| 241 | E | 94.5 | Very high | 95.1 | Very high | 117 Ų | 117 | 57.5 Ų | 57.5 | 55% | 0.547 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.6 | -38.4 | 174.1 | -73.4 | 179.4 | 178.7 | 0 | 0 | 111.4 | E237 K238 V245 | E237-E241 WeakPolarHBondContact O-CG 3.23Å; E237-E241 PolarHBondContact O-N 3.49Å; K238-E241 PolarHBondContact O-N 2.72Å; E241-V245 WeakPolarHBondContact O-CG2 3.41Å |
| 242 | R | 94.7 | Very high | 95.3 | Very high | 60 Ų | 60 | 54.4 Ų | 54.4 | 23% | 0.226 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.7 | -42.6 | 175.5 | -71.2 | 169.9 | 71.8 | 95.3 | -1.7 | 111.9 | P195 K238 A239 L240 A244 V245 I246 F302 V303 E308 | P195-R242 HydrophobicContact CB-CB 4.25Å; P195-R242 HydrophobicContact CG-CB 4.31Å; K238-R242 VanDerWaalsContact O-CG 3.29Å; K238-R242 WeakPolarHBondContact O-CG 3.49Å; K238-R242 PolarHBondContact O-N 2.9Å; A239-R242 WeakPolarHBondContact O-CB 3.39Å; A239-R242 PolarHBondContact O-N 3.41Å; L240-R242 PolarHBondContact O-N 2.87Å; R242-A244 VanDerWaalsContact C-N 3.33Å; R242-A244 PolarHBondContact O-N 3.38Å; R242-V245 PolarHBondContact O-N 2.95Å; R242-V245 VanDerWaalsContact O-N 3.17Å; R242-I246 PolarHBondContact O-N 3.45Å; R242-I246 VanDerWaalsContact O-N 3.17Å; R242-F302 HydrophobicContact CB-CE2 3.8Å; R242-F302 HydrophobicContact CB-CZ 4.4Å; R242-F302 HydrophobicContact CG-CD2 4.4Å; R242-F302 HydrophobicContact CG-CE2 3.72Å; R242-F302 HydrophobicContact CG-CZ 4.45Å; R242-V303 PolarHBondContact NH1-O 3.02Å; R242-V303 PolarHBondContact NH2-O 3.02Å; R242-E308 IonicContact CZ-OE1 3.22Å; R242-E308 VanDerWaalsContact NH2-CD 3.28Å; R242-E308 IonicContact NH2-OE1 3.41Å; R242-E308 PolarHBondContact NH2-OE1 3.31Å; R242-E308 IonicContact NH2-OE2 3.34Å; R242-E308 PolarHBondContact NH2-OE2 3.45Å; R242-E308 VanDerWaalsContact NH2-OE2 3.13Å |
| 243 | L | 95.6 | Very high | 95.5 | Very high | 20 Ų | 20 | 54.9 Ų | 54.9 | 11% | 0.105 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.6 | -44.9 | 178.2 | -177.4 | 64.2 | 0 | 0 | 0 | 110.9 | V148 P195 H196 L197 M199 A239 L240 V245 I246 L247 | V148-L243 HydrophobicContact CG1-CD1 3.67Å; P195-L243 HydrophobicContact CB-CB 3.87Å; P195-L243 HydrophobicContact CB-CD1 4.23Å; H196-L243 WeakPolarHBondContact O-CD2 3.25Å; L197-L243 HydrophobicContact CD2-CD1 4.31Å; M199-L243 HydrophobicContact SD-CD2 4.35Å; A239-L243 WeakPolarHBondContact O-CB 3.33Å; A239-L243 PolarHBondContact O-N 2.94Å; L240-L243 PolarHBondContact O-N 3.34Å; L243-V245 PolarHBondContact O-N 3.15Å; L243-V245 VanDerWaalsContact O-N 3.16Å; L243-I246 PolarHBondContact O-N 3.41Å; L243-L247 WeakPolarHBondContact O-CB 3.44Å; L243-L247 PolarHBondContact O-N 2.83Å |
| 244 | A | 95 | Very high | 95.6 | Very high | 67 Ų | 67 | 57.4 Ų | 57.4 | 55% | 0.554 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -59.1 | -28.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L240 R242 | L240-A244 PolarHBondContact O-N 3.08Å; R242-A244 VanDerWaalsContact C-N 3.33Å; R242-A244 PolarHBondContact O-N 3.38Å |
| 245 | V | 95 | Very high | 95.6 | Very high | 24 Ų | 24 | 60.6 Ų | 60.6 | 15% | 0.145 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -79.9 | -33.3 | 175.6 | 176 | 0 | 0 | 0 | 0 | 112 | E241 R242 L243 W274 I298 F302 | E241-V245 WeakPolarHBondContact O-CG2 3.41Å; R242-V245 PolarHBondContact O-N 2.95Å; R242-V245 VanDerWaalsContact O-N 3.17Å; L243-V245 PolarHBondContact O-N 3.15Å; L243-V245 VanDerWaalsContact O-N 3.16Å; V245-W274 HydrophobicContact CG1-CH2 3.95Å; V245-W274 HydrophobicContact CG1-CZ2 3.51Å; V245-I298 HydrophobicContact CG2-CG2 4.44Å; V245-F302 HydrophobicContact CB-CD2 4.29Å; V245-F302 HydrophobicContact CB-CE2 4.16Å; V245-F302 HydrophobicContact CG1-CD2 4.09Å; V245-F302 HydrophobicContact CG1-CE2 4.21Å; V245-F302 HydrophobicContact CG2-CD2 4.49Å |
| 246 | I | 95.4 | Very high | 95.5 | Very high | 8 Ų | 8 | 56.7 Ų | 56.7 | 4% | 0.041 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -82.3 | -36.9 | -178 | -68.8 | 165.7 | 0 | 0 | 0 | 111.9 | V148 P195 R242 L243 P248 F249 E250 Y271 W274 F302 | V148-I246 HydrophobicContact CG1-CG2 4.28Å; V148-I246 HydrophobicContact CG2-CD1 4.38Å; V148-I246 HydrophobicContact CG2-CG2 4.14Å; P195-I246 HydrophobicContact CB-CD1 4.48Å; P195-I246 HydrophobicContact CG-CD1 4.07Å; R242-I246 PolarHBondContact O-N 3.45Å; R242-I246 VanDerWaalsContact O-N 3.17Å; L243-I246 PolarHBondContact O-N 3.41Å; I246-P248 VanDerWaalsContact C-CD 3.4Å; I246-P248 VanDerWaalsContact C-N 3.34Å; I246-P248 VanDerWaalsContact O-N 3.16Å; I246-F249 WeakPolarHBondContact O-CB 3.35Å; I246-F249 WeakPolarHBondContact O-CD2 3.35Å; I246-F249 PolarHBondContact O-N 3.09Å; I246-E250 HydrophobicContact CG2-CG 3.87Å; I246-E250 PolarHBondContact O-N 3.48Å; I246-Y271 HydrophobicContact CG2-CE2 4.41Å; I246-Y271 WeakPolarHBondContact CG2-OH 3.4Å; I246-W274 HydrophobicContact CG1-CH2 4.27Å; I246-W274 HydrophobicContact CG1-CZ3 4.48Å; I246-F302 HydrophobicContact CD1-CZ 3.97Å; I246-F302 HydrophobicContact CG1-CZ 4.01Å |
| 247 | L | 95.6 | Very high | 95.2 | Very high | 56 Ų | 56 | 60 Ų | 60 | 29% | 0.293 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -49.9 | -42.9 | -170.7 | -174.4 | 65.3 | 0 | 0 | 0 | 114.4 | L197 L243 F249 E250 E251 | L197-L247 HydrophobicContact CD2-CD1 3.6Å; L243-L247 WeakPolarHBondContact O-CB 3.44Å; L243-L247 PolarHBondContact O-N 2.83Å; L247-F249 PolarHBondContact O-N 3.01Å; L247-F249 VanDerWaalsContact O-N 3.16Å; L247-E250 PolarHBondContact O-N 3.21Å; L247-E250 VanDerWaalsContact O-N 3.09Å; L247-E251 HydrophobicContact CD1-CG 4.25Å; L247-E251 HydrophobicContact CG-CG 4.21Å; L247-E251 WeakPolarHBondContact CG-OE1 3.49Å; L247-E251 WeakPolarHBondContact O-CG 3.37Å; L247-E251 PolarHBondContact O-N 3.29Å |
| 248 | P | 96.8 | Very high | 94.7 | Very high | 73 Ų | 73 | 63 Ų | 63 | 47% | 0.474 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.8 | -28.1 | 178.3 | -24.5 | 35.5 | 0 | 0 | 0 | 114.2 | I246 S252 | I246-P248 VanDerWaalsContact C-CD 3.4Å; I246-P248 VanDerWaalsContact C-N 3.34Å; I246-P248 VanDerWaalsContact O-N 3.16Å; P248-S252 VanDerWaalsContact O-CB 3.29Å; P248-S252 WeakPolarHBondContact O-CB 3.39Å; P248-S252 PolarHBondContact O-N 3.22Å; P248-S252 VanDerWaalsContact O-N 3.14Å |
| 249 | F | 97.7 | Very high | 94.4 | Very high | 40 Ų | 40 | 62.8 Ų | 62.8 | 18% | 0.175 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -74.1 | -41.5 | 175.9 | -61.9 | -80.4 | 0 | 0 | 0 | 111.5 | I246 L247 S252 I253 I270 Y271 W274 | I246-F249 WeakPolarHBondContact O-CB 3.35Å; I246-F249 WeakPolarHBondContact O-CD2 3.35Å; I246-F249 PolarHBondContact O-N 3.09Å; L247-F249 PolarHBondContact O-N 3.01Å; L247-F249 VanDerWaalsContact O-N 3.16Å; F249-S252 PolarHBondContact O-N 3.16Å; F249-I253 WeakPolarHBondContact O-CD1 3.49Å; F249-I253 WeakPolarHBondContact O-CG1 3.35Å; F249-I253 PolarHBondContact O-N 2.97Å; F249-I253 VanDerWaalsContact O-N 3.08Å; F249-I270 HydrophobicContact CD1-CG2 4.46Å; F249-I270 HydrophobicContact CE1-CG2 4.18Å; F249-Y271 HydrophobicContact CB-CD1 3.89Å; F249-Y271 HydrophobicContact CB-CD2 3.6Å; F249-Y271 HydrophobicContact CB-CE1 4.24Å; F249-Y271 HydrophobicContact CB-CE2 4Å; F249-Y271 HydrophobicContact CB-CG 3.58Å; F249-Y271 AromaticContact CD1-CD2 3.83Å; F249-Y271 HydrophobicContact CD1-CD2 3.83Å; F249-Y271 HydrophobicContact CD1-CG 4.08Å; F249-Y271 AromaticContact CD2-CD2 3.94Å; F249-Y271 HydrophobicContact CD2-CD2 3.94Å; F249-Y271 HydrophobicContact CD2-CE2 4.1Å; F249-Y271 HydrophobicContact CE1-CD2 4.48Å; F249-Y271 AromaticContact CG-CD2 3.52Å; F249-Y271 HydrophobicContact CG-CD2 3.52Å; F249-Y271 HydrophobicContact CG-CE2 4.05Å; F249-Y271 AromaticContact CG-CG 3.91Å; F249-Y271 HydrophobicContact CG-CG 3.91Å; F249-W274 HydrophobicContact CD2-CE3 4.46Å; F249-W274 HydrophobicContact CE1-CB 3.96Å; F249-W274 HydrophobicContact CE1-CD2 4.45Å; F249-W274 HydrophobicContact CE1-CG 4.1Å; F249-W274 AromaticContact CE2-CD2 3.71Å; F249-W274 HydrophobicContact CE2-CD2 3.71Å; F249-W274 AromaticContact CE2-CE2 3.89Å; F249-W274 AromaticContact CE2-CE3 3.92Å; F249-W274 HydrophobicContact CE2-CE3 3.92Å; F249-W274 HydrophobicContact CE2-CG 4.08Å; F249-W274 HydrophobicContact CE2-CH2 4.38Å; F249-W274 HydrophobicContact CE2-CZ2 4.26Å; F249-W274 HydrophobicContact CE2-CZ3 4.25Å; F249-W274 HydrophobicContact CZ-CB 3.83Å; F249-W274 AromaticContact CZ-CD1 3.74Å; F249-W274 AromaticContact CZ-CD2 3.59Å; F249-W274 HydrophobicContact CZ-CD2 3.59Å; F249-W274 AromaticContact CZ-CE2 4Å; F249-W274 HydrophobicContact CZ-CE3 4.11Å; F249-W274 AromaticContact CZ-CG 3.44Å; F249-W274 HydrophobicContact CZ-CG 3.44Å; F249-W274 VanDerWaalsContact CZ-CG 3.44Å |
| 250 | E | 96.4 | Very high | 94.3 | Very high | 10 Ų | 10 | 65 Ų | 65 | 5% | 0.047 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.3 | -45.7 | 178 | -61.7 | -68.4 | 178.4 | 0 | 0 | 110.8 | V148 V149 I246 L247 S252 I253 E254 Y271 R315 | V148-E250 HydrophobicContact CG1-CG 4.32Å; V149-E250 HydrophobicContact CG2-CB 4.4Å; V149-E250 HydrophobicContact CG2-CG 4.27Å; V149-E250 WeakPolarHBondContact CG2-OE2 3.32Å; I246-E250 HydrophobicContact CG2-CG 3.87Å; I246-E250 PolarHBondContact O-N 3.48Å; L247-E250 PolarHBondContact O-N 3.21Å; L247-E250 VanDerWaalsContact O-N 3.09Å; E250-S252 VanDerWaalsContact C-N 3.33Å; E250-S252 PolarHBondContact O-N 3.36Å; E250-I253 PolarHBondContact O-N 2.95Å; E250-I253 VanDerWaalsContact O-N 3.15Å; E250-E254 PolarHBondContact O-N 3.12Å; E250-Y271 WeakPolarHBondContact OE1-CE1 3.49Å; E250-R315 IonicContact OE1-CZ 2.94Å; E250-R315 IonicContact OE1-NH1 3.45Å; E250-R315 PolarHBondContact OE1-NH1 3.25Å; E250-R315 IonicContact OE1-NH2 2.78Å; E250-R315 PolarHBondContact OE1-NH2 3.38Å; E250-R315 IonicContact OE2-CZ 3.86Å; E250-R315 IonicContact OE2-NH1 3.59Å; E250-R315 IonicContact OE2-NH2 3.03Å; E250-R315 PolarHBondContact OE2-NH2 3.27Å |
| 251 | E | 95.8 | Very high | 94 | Very high | 104 Ų | 104 | 68.6 Ų | 68.6 | 49% | 0.486 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.8 | -41.8 | 174.7 | -69.4 | 173.9 | 169.3 | 0 | 0 | 111.7 | L247 I253 E254 E255 | L247-E251 HydrophobicContact CD1-CG 4.25Å; L247-E251 HydrophobicContact CG-CG 4.21Å; L247-E251 WeakPolarHBondContact CG-OE1 3.49Å; L247-E251 WeakPolarHBondContact O-CG 3.37Å; L247-E251 PolarHBondContact O-N 3.29Å; E251-I253 VanDerWaalsContact C-N 3.3Å; E251-I253 PolarHBondContact O-N 3.05Å; E251-E254 PolarHBondContact O-N 2.98Å; E251-E255 WeakPolarHBondContact O-CB 3.28Å; E251-E255 PolarHBondContact O-N 3.14Å |
| 252 | S | 96.1 | Very high | 93.9 | Very high | 50 Ų | 50 | 66.7 Ų | 66.7 | 35% | 0.35 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.3 | -33 | 177 | -178.2 | 0 | 0 | 0 | 0 | 112.9 | P248 F249 E250 S256 S267 | P248-S252 VanDerWaalsContact O-CB 3.29Å; P248-S252 WeakPolarHBondContact O-CB 3.39Å; P248-S252 PolarHBondContact O-N 3.22Å; P248-S252 VanDerWaalsContact O-N 3.14Å; F249-S252 PolarHBondContact O-N 3.16Å; E250-S252 VanDerWaalsContact C-N 3.33Å; E250-S252 PolarHBondContact O-N 3.36Å; S252-S256 VanDerWaalsContact O-CB 3.28Å; S252-S256 WeakPolarHBondContact O-CB 3.23Å; S252-S256 PolarHBondContact O-N 3.16Å; S252-S256 PolarHBondContact O-OG 2.77Å; S252-S267 PolarHBondContact O-OG 3.46Å |
| 253 | I | 96.4 | Very high | 93.8 | Very high | 12 Ų | 12 | 68.3 Ų | 68.3 | 6% | 0.062 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -71.4 | -48.1 | 176.7 | -72.4 | 161.2 | 0 | 0 | 0 | 109.6 | F249 E250 E251 E255 S256 T257 W268 Y271 | F249-I253 WeakPolarHBondContact O-CD1 3.49Å; F249-I253 WeakPolarHBondContact O-CG1 3.35Å; F249-I253 PolarHBondContact O-N 2.97Å; F249-I253 VanDerWaalsContact O-N 3.08Å; E250-I253 PolarHBondContact O-N 2.95Å; E250-I253 VanDerWaalsContact O-N 3.15Å; E251-I253 VanDerWaalsContact C-N 3.3Å; E251-I253 PolarHBondContact O-N 3.05Å; I253-E255 PolarHBondContact O-N 3.26Å; I253-S256 WeakPolarHBondContact CA-OG 3.35Å; I253-S256 PolarHBondContact O-N 3.13Å; I253-S256 PolarHBondContact O-OG 3.36Å; I253-T257 PolarHBondContact O-N 2.91Å; I253-T257 PolarHBondContact O-OG1 3.46Å; I253-W268 HydrophobicContact CD1-CD2 3.72Å; I253-W268 HydrophobicContact CD1-CE3 3.47Å; I253-W268 VanDerWaalsContact CD1-CE3 3.47Å; I253-W268 HydrophobicContact CD1-CG 4.47Å; I253-W268 HydrophobicContact CD1-CH2 3.89Å; I253-W268 HydrophobicContact CD1-CZ2 4.13Å; I253-W268 HydrophobicContact CD1-CZ3 3.54Å; I253-W268 HydrophobicContact CG1-CD2 4.18Å; I253-W268 HydrophobicContact CG1-CE3 4.4Å; I253-W268 HydrophobicContact CG2-CD2 4.42Å; I253-W268 HydrophobicContact CG2-CH2 4.37Å; I253-W268 HydrophobicContact CG2-CZ2 3.7Å; I253-Y271 HydrophobicContact CD1-CD1 3.71Å |
| 254 | E | 94 | Very high | 93.8 | Very high | 144 Ų | 144 | 67.7 Ų | 67.7 | 67% | 0.673 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -56.9 | -50.8 | 177.2 | -171.5 | 173.9 | -170.5 | 0 | 0 | 111.1 | E250 E251 S256 T257 | E250-E254 PolarHBondContact O-N 3.12Å; E251-E254 PolarHBondContact O-N 2.98Å; E254-S256 VanDerWaalsContact C-N 3.25Å; E254-S256 PolarHBondContact O-N 3.4Å; E254-T257 WeakPolarHBondContact O-CB 3.05Å; E254-T257 PolarHBondContact O-N 3.41Å; E254-T257 VanDerWaalsContact O-N 3.1Å |
| 255 | E | 94.1 | Very high | 93.8 | Very high | 119 Ų | 119 | 65.5 Ų | 65.5 | 56% | 0.556 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -61 | -33.4 | 178.7 | -163.4 | -161.5 | 151.8 | 0 | 0 | 112.9 | E251 I253 K259 | E251-E255 WeakPolarHBondContact O-CB 3.28Å; E251-E255 PolarHBondContact O-N 3.14Å; I253-E255 PolarHBondContact O-N 3.26Å; E255-K259 WeakPolarHBondContact O-CE 3.29Å; E255-K259 IonicContact OE1-NZ 3.39Å; E255-K259 PolarHBondContact OE1-NZ 3.29Å |
| 256 | S | 93.2 | Very high | 93.9 | Very high | 4 Ų | 4 | 67.3 Ų | 67.3 | 3% | 0.028 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -80 | -18.2 | 179.7 | 65.5 | 0 | 0 | 0 | 0 | 113.9 | S252 I253 E254 D258 K259 T264 S267 | S252-S256 VanDerWaalsContact O-CB 3.28Å; S252-S256 WeakPolarHBondContact O-CB 3.23Å; S252-S256 PolarHBondContact O-N 3.16Å; S252-S256 PolarHBondContact O-OG 2.77Å; I253-S256 WeakPolarHBondContact CA-OG 3.35Å; I253-S256 PolarHBondContact O-N 3.13Å; I253-S256 PolarHBondContact O-OG 3.36Å; E254-S256 VanDerWaalsContact C-N 3.25Å; E254-S256 PolarHBondContact O-N 3.4Å; S256-D258 VanDerWaalsContact C-N 3.25Å; S256-D258 PolarHBondContact O-N 2.79Å; S256-K259 PolarHBondContact O-N 3.43Å; S256-T264 PolarHBondContact O-OG1 2.9Å; S256-T264 WeakPolarHBondContact OG-CA 3.34Å; S256-S267 WeakPolarHBondContact CB-OG 3.46Å; S256-S267 PolarHBondContact OG-OG 3.24Å; S256-S267 VanDerWaalsContact OG-OG 3.13Å |
| 257 | T | 90.3 | Very high | 94 | Very high | 88 Ų | 88 | 67.7 Ų | 67.7 | 54% | 0.54 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.3 | -32.6 | -179.7 | -59.2 | 0 | 0 | 0 | 0 | 111.2 | I253 E254 K259 | I253-T257 PolarHBondContact O-N 2.91Å; I253-T257 PolarHBondContact O-OG1 3.46Å; E254-T257 WeakPolarHBondContact O-CB 3.05Å; E254-T257 PolarHBondContact O-N 3.41Å; E254-T257 VanDerWaalsContact O-N 3.1Å; T257-K259 VanDerWaalsContact C-N 3.34Å; T257-K259 PolarHBondContact O-N 3.31Å |
| 258 | D | 86.9 | Confident | 94.1 | Very high | 153 Ų | 153 | 65.6 Ų | 65.6 | 82% | 0.818 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -9.7 | 178.2 | -69.9 | -22.3 | 0 | 0 | 0 | 114.1 | S256 | S256-D258 VanDerWaalsContact C-N 3.25Å; S256-D258 PolarHBondContact O-N 2.79Å |
| 259 | K | 88.4 | Confident | 94.1 | Very high | 114 Ų | 114 | 63.6 Ų | 63.6 | 50% | 0.496 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -71.1 | -171.8 | -63.3 | 177.7 | -172.2 | 169.8 | 0 | 112.8 | E255 S256 T257 E263 | E255-K259 WeakPolarHBondContact O-CE 3.29Å; E255-K259 IonicContact OE1-NZ 3.39Å; E255-K259 PolarHBondContact OE1-NZ 3.29Å; S256-K259 PolarHBondContact O-N 3.43Å; T257-K259 VanDerWaalsContact C-N 3.34Å; T257-K259 PolarHBondContact O-N 3.31Å; K259-E263 VanDerWaalsContact CB-OE2 3.24Å; K259-E263 WeakPolarHBondContact CB-OE2 3.19Å; K259-E263 WeakPolarHBondContact CD-OE2 3.37Å |
| 260 | S | 91.7 | Very high | 94.1 | Very high | 46 Ų | 46 | 66.2 Ų | 66.2 | 32% | 0.322 | 36% | 0.356 | S | S | . | . | trans | -162.4 | 149.3 | 177.9 | 73.1 | 0 | 0 | 0 | 0 | 111.1 | A262 E263 T264 | S260-A262 PolarHBondContact O-N 3.16Å; S260-E263 PolarHBondContact O-N 2.77Å; S260-E263 WeakPolarHBondContact OG-CB 3.25Å; S260-E263 WeakPolarHBondContact OG-CG 3.4Å; S260-E263 PolarHBondContact OG-N 3.28Å; S260-T264 PolarHBondContact O-N 3.37Å; S260-T264 PolarHBondContact O-OG1 2.87Å | ||
| 261 | E | 90.5 | Very high | 94.1 | Very high | 132 Ų | 132 | 66.3 Ų | 66.3 | 62% | 0.617 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -56.3 | -38 | 179 | -172.2 | 178.5 | -172.4 | 0 | 0 | 112.6 | E263 T264 V265 H320 | E261-E263 PolarHBondContact O-N 3.45Å; E261-T264 PolarHBondContact O-N 2.68Å; E261-V265 HydrophobicContact CG-CG2 4.41Å; E261-V265 WeakPolarHBondContact O-CB 3.41Å; E261-V265 VanDerWaalsContact O-CG2 3.23Å; E261-V265 WeakPolarHBondContact O-CG2 3.38Å; E261-V265 PolarHBondContact O-N 3.5Å; E261-H320 IonicContact OE1-ND1 3.68Å |
| 262 | A | 92 | Very high | 94.2 | Very high | 77 Ų | 77 | 61.3 Ų | 61.3 | 64% | 0.636 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -65.6 | -38.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S260 S266 | S260-A262 PolarHBondContact O-N 3.16Å; A262-S266 WeakPolarHBondContact O-CB 3.29Å; A262-S266 PolarHBondContact O-N 2.91Å |
| 263 | E | 93.9 | Very high | 94.2 | Very high | 94 Ų | 94 | 63.3 Ų | 63.3 | 44% | 0.439 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -69.6 | -41.7 | 174.5 | -73.5 | 178.6 | -162 | 0 | 0 | 111.2 | K259 S260 E261 V265 S266 S267 | K259-E263 VanDerWaalsContact CB-OE2 3.24Å; K259-E263 WeakPolarHBondContact CB-OE2 3.19Å; K259-E263 WeakPolarHBondContact CD-OE2 3.37Å; S260-E263 PolarHBondContact O-N 2.77Å; S260-E263 WeakPolarHBondContact OG-CB 3.25Å; S260-E263 WeakPolarHBondContact OG-CG 3.4Å; S260-E263 PolarHBondContact OG-N 3.28Å; E261-E263 PolarHBondContact O-N 3.45Å; E263-V265 PolarHBondContact O-N 2.96Å; E263-S266 WeakPolarHBondContact O-CA 3.09Å; E263-S266 WeakPolarHBondContact O-CB 3.37Å; E263-S266 PolarHBondContact O-N 3.01Å; E263-S266 VanDerWaalsContact O-N 3.12Å; E263-S267 PolarHBondContact O-N 3.22Å; E263-S267 PolarHBondContact O-OG 3.14Å |
| 264 | T | 95.1 | Very high | 94.2 | Very high | 6 Ų | 6 | 65.3 Ų | 65.3 | 4% | 0.037 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.1 | -46.9 | 175.5 | -36.6 | 0 | 0 | 0 | 0 | 111.8 | S256 S260 E261 S266 S267 W268 H320 | S256-T264 PolarHBondContact O-OG1 2.9Å; S256-T264 WeakPolarHBondContact OG-CA 3.34Å; S260-T264 PolarHBondContact O-N 3.37Å; S260-T264 PolarHBondContact O-OG1 2.87Å; E261-T264 PolarHBondContact O-N 2.68Å; T264-S266 VanDerWaalsContact C-N 3.27Å; T264-S266 PolarHBondContact O-N 2.91Å; T264-S267 WeakPolarHBondContact O-CB 3.3Å; T264-S267 PolarHBondContact O-N 3.25Å; T264-S267 VanDerWaalsContact O-N 3.15Å; T264-W268 VanDerWaalsContact O-CD1 3.22Å; T264-W268 PolarHBondContact O-N 3.47Å; T264-H320 WeakPolarHBondContact CG2-NE2 3.44Å |
| 265 | V | 94.9 | Very high | 94.3 | Very high | 22 Ų | 22 | 58.5 Ų | 58.5 | 13% | 0.133 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.4 | -36.9 | 175 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | E261 E263 W268 N269 H320 | E261-V265 HydrophobicContact CG-CG2 4.41Å; E261-V265 WeakPolarHBondContact O-CB 3.41Å; E261-V265 VanDerWaalsContact O-CG2 3.23Å; E261-V265 WeakPolarHBondContact O-CG2 3.38Å; E261-V265 PolarHBondContact O-N 3.5Å; E263-V265 PolarHBondContact O-N 2.96Å; V265-W268 PolarHBondContact O-N 3.41Å; V265-N269 VanDerWaalsContact CG1-ND2 3.35Å; V265-N269 WeakPolarHBondContact CG1-ND2 3.16Å; V265-N269 WeakPolarHBondContact O-CB 3.33Å; V265-N269 PolarHBondContact O-N 3.31Å; V265-N269 PolarHBondContact O-ND2 3.41Å; V265-H320 HydrophobicContact CG2-CB 4.08Å |
| 266 | S | 95.9 | Very high | 94.3 | Very high | 62 Ų | 62 | 53.8 Ų | 53.8 | 43% | 0.434 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.7 | -44.4 | 173.7 | -173.8 | 0 | 0 | 0 | 0 | 112.1 | A262 E263 T264 N269 I270 | A262-S266 WeakPolarHBondContact O-CB 3.29Å; A262-S266 PolarHBondContact O-N 2.91Å; E263-S266 WeakPolarHBondContact O-CA 3.09Å; E263-S266 WeakPolarHBondContact O-CB 3.37Å; E263-S266 PolarHBondContact O-N 3.01Å; E263-S266 VanDerWaalsContact O-N 3.12Å; T264-S266 VanDerWaalsContact C-N 3.27Å; T264-S266 PolarHBondContact O-N 2.91Å; S266-N269 PolarHBondContact O-N 2.85Å; S266-I270 WeakPolarHBondContact O-CG1 3.29Å; S266-I270 PolarHBondContact O-N 3.25Å |
| 267 | S | 97.4 | Very high | 94.2 | Very high | 15 Ų | 15 | 58.7 Ų | 58.7 | 11% | 0.105 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.2 | -46.4 | 175.5 | -61.5 | 0 | 0 | 0 | 0 | 111.6 | S252 S256 E263 T264 N269 I270 Y271 | S252-S267 PolarHBondContact O-OG 3.46Å; S256-S267 WeakPolarHBondContact CB-OG 3.46Å; S256-S267 PolarHBondContact OG-OG 3.24Å; S256-S267 VanDerWaalsContact OG-OG 3.13Å; E263-S267 PolarHBondContact O-N 3.22Å; E263-S267 PolarHBondContact O-OG 3.14Å; T264-S267 WeakPolarHBondContact O-CB 3.3Å; T264-S267 PolarHBondContact O-N 3.25Å; T264-S267 VanDerWaalsContact O-N 3.15Å; S267-N269 VanDerWaalsContact C-N 3.35Å; S267-N269 PolarHBondContact O-N 3.36Å; S267-I270 PolarHBondContact O-N 2.64Å; S267-Y271 PolarHBondContact O-N 2.87Å |
| 268 | W | 97.8 | Very high | 94.2 | Very high | 13 Ų | 13 | 54.5 Ų | 54.5 | 5% | 0.049 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.9 | -46.1 | 173.3 | -80 | 115.9 | 0 | 0 | 0 | 112.2 | I253 T264 V265 I270 Y271 I272 L312 R315 A316 H320 | I253-W268 HydrophobicContact CD1-CD2 3.72Å; I253-W268 HydrophobicContact CD1-CE3 3.47Å; I253-W268 VanDerWaalsContact CD1-CE3 3.47Å; I253-W268 HydrophobicContact CD1-CG 4.47Å; I253-W268 HydrophobicContact CD1-CH2 3.89Å; I253-W268 HydrophobicContact CD1-CZ2 4.13Å; I253-W268 HydrophobicContact CD1-CZ3 3.54Å; I253-W268 HydrophobicContact CG1-CD2 4.18Å; I253-W268 HydrophobicContact CG1-CE3 4.4Å; I253-W268 HydrophobicContact CG2-CD2 4.42Å; I253-W268 HydrophobicContact CG2-CH2 4.37Å; I253-W268 HydrophobicContact CG2-CZ2 3.7Å; T264-W268 VanDerWaalsContact O-CD1 3.22Å; T264-W268 PolarHBondContact O-N 3.47Å; V265-W268 PolarHBondContact O-N 3.41Å; W268-I270 VanDerWaalsContact C-N 3.32Å; W268-I270 PolarHBondContact O-N 2.93Å; W268-Y271 HydrophobicContact CE3-CD1 4.49Å; W268-Y271 HydrophobicContact CZ3-CD1 4.34Å; W268-Y271 PolarHBondContact O-N 2.74Å; W268-I272 WeakPolarHBondContact O-CB 3.48Å; W268-I272 VanDerWaalsContact O-CG1 3.28Å; W268-I272 WeakPolarHBondContact O-CG1 3.37Å; W268-I272 PolarHBondContact O-N 2.89Å; W268-L312 HydrophobicContact CE3-CD1 4.23Å; W268-L312 HydrophobicContact CZ3-CD1 3.64Å; W268-R315 HydrophobicContact CH2-CB 4.02Å; W268-R315 HydrophobicContact CZ3-CB 4.44Å; W268-A316 HydrophobicContact CB-CB 4.5Å; W268-A316 HydrophobicContact CD2-CB 3.79Å; W268-A316 HydrophobicContact CE3-CB 3.69Å; W268-A316 HydrophobicContact CG-CB 4.17Å; W268-A316 HydrophobicContact CZ3-CB 4.2Å; W268-H320 AromaticContact CD1-CD2 3.48Å; W268-H320 VanDerWaalsContact CD1-CD2 3.48Å; W268-H320 AromaticContact CD1-NE2 3.63Å; W268-H320 AromaticContact NE1-CD2 3.63Å; W268-H320 AromaticContact NE1-NE2 3.66Å |
| 269 | N | 97.2 | Very high | 94.3 | Very high | 31 Ų | 31 | 48.2 Ų | 48.2 | 17% | 0.166 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61 | -40.5 | -179.8 | -83.3 | -56.3 | 0 | 0 | 0 | 112.3 | V265 S266 S267 I272 D273 R329 | V265-N269 VanDerWaalsContact CG1-ND2 3.35Å; V265-N269 WeakPolarHBondContact CG1-ND2 3.16Å; V265-N269 WeakPolarHBondContact O-CB 3.33Å; V265-N269 PolarHBondContact O-N 3.31Å; V265-N269 PolarHBondContact O-ND2 3.41Å; S266-N269 PolarHBondContact O-N 2.85Å; S267-N269 VanDerWaalsContact C-N 3.35Å; S267-N269 PolarHBondContact O-N 3.36Å; N269-I272 PolarHBondContact O-N 3.23Å; N269-D273 WeakPolarHBondContact O-CB 3.43Å; N269-D273 PolarHBondContact O-N 3.43Å; N269-R329 PolarHBondContact O-NH1 3.19Å; N269-R329 PolarHBondContact OD1-NH1 2.89Å |
| 270 | I | 97.6 | Very high | 94.1 | Very high | 94 Ų | 94 | 49 Ų | 49 | 48% | 0.482 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.7 | -46.7 | 174.9 | -68.8 | 165 | 0 | 0 | 0 | 110.5 | F249 S266 S267 W268 D273 W274 | F249-I270 HydrophobicContact CD1-CG2 4.46Å; F249-I270 HydrophobicContact CE1-CG2 4.18Å; S266-I270 WeakPolarHBondContact O-CG1 3.29Å; S266-I270 PolarHBondContact O-N 3.25Å; S267-I270 PolarHBondContact O-N 2.64Å; W268-I270 VanDerWaalsContact C-N 3.32Å; W268-I270 PolarHBondContact O-N 2.93Å; I270-D273 PolarHBondContact O-N 3.42Å; I270-W274 PolarHBondContact O-N 3.3Å |
| 271 | Y | 97.9 | Very high | 93.4 | Very high | 12 Ų | 12 | 50.6 Ų | 50.6 | 5% | 0.047 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.3 | -46.2 | 179.5 | -173 | -166.6 | 0 | 0 | 0 | 111.6 | I246 F249 E250 I253 S267 W268 D273 W274 A275 L312 | I246-Y271 HydrophobicContact CG2-CE2 4.41Å; I246-Y271 WeakPolarHBondContact CG2-OH 3.4Å; F249-Y271 HydrophobicContact CB-CD1 3.89Å; F249-Y271 HydrophobicContact CB-CD2 3.6Å; F249-Y271 HydrophobicContact CB-CE1 4.24Å; F249-Y271 HydrophobicContact CB-CE2 4Å; F249-Y271 HydrophobicContact CB-CG 3.58Å; F249-Y271 AromaticContact CD1-CD2 3.83Å; F249-Y271 HydrophobicContact CD1-CD2 3.83Å; F249-Y271 HydrophobicContact CD1-CG 4.08Å; F249-Y271 AromaticContact CD2-CD2 3.94Å; F249-Y271 HydrophobicContact CD2-CD2 3.94Å; F249-Y271 HydrophobicContact CD2-CE2 4.1Å; F249-Y271 HydrophobicContact CE1-CD2 4.48Å; F249-Y271 AromaticContact CG-CD2 3.52Å; F249-Y271 HydrophobicContact CG-CD2 3.52Å; F249-Y271 HydrophobicContact CG-CE2 4.05Å; F249-Y271 AromaticContact CG-CG 3.91Å; F249-Y271 HydrophobicContact CG-CG 3.91Å; E250-Y271 WeakPolarHBondContact OE1-CE1 3.49Å; I253-Y271 HydrophobicContact CD1-CD1 3.71Å; S267-Y271 PolarHBondContact O-N 2.87Å; W268-Y271 HydrophobicContact CE3-CD1 4.49Å; W268-Y271 HydrophobicContact CZ3-CD1 4.34Å; W268-Y271 PolarHBondContact O-N 2.74Å; Y271-D273 PolarHBondContact O-N 2.91Å; Y271-W274 AromaticContact CD2-CE3 3.94Å; Y271-W274 HydrophobicContact CD2-CE3 3.94Å; Y271-W274 HydrophobicContact CD2-CZ3 4.33Å; Y271-W274 AromaticContact CE2-CE3 3.87Å; Y271-W274 HydrophobicContact CE2-CE3 3.87Å; Y271-W274 AromaticContact CE2-CZ3 3.79Å; Y271-W274 HydrophobicContact CE2-CZ3 3.79Å; Y271-W274 PolarHBondContact O-N 2.97Å; Y271-A275 WeakPolarHBondContact O-CB 3.25Å; Y271-A275 PolarHBondContact O-N 3.5Å; Y271-L312 HydrophobicContact CD1-CD1 3.47Å; Y271-L312 VanDerWaalsContact CD1-CD1 3.47Å; Y271-L312 HydrophobicContact CD1-CD2 4.14Å; Y271-L312 HydrophobicContact CD1-CG 4.43Å; Y271-L312 HydrophobicContact CD2-CD2 4.14Å; Y271-L312 HydrophobicContact CE1-CD1 3.24Å; Y271-L312 HydrophobicContact CE1-CD2 4.07Å; Y271-L312 HydrophobicContact CE1-CG 4.3Å; Y271-L312 HydrophobicContact CE2-CD2 4.06Å; Y271-L312 HydrophobicContact CG-CD1 4.28Å; Y271-L312 HydrophobicContact CG-CD2 4.15Å |
| 272 | I | 97.8 | Very high | 92 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64 | -41.7 | 177.5 | -65.5 | 167.9 | 0 | 0 | 0 | 111.1 | W268 N269 W274 A275 V276 L312 F313 A316 L326 R329 | W268-I272 WeakPolarHBondContact O-CB 3.48Å; W268-I272 VanDerWaalsContact O-CG1 3.28Å; W268-I272 WeakPolarHBondContact O-CG1 3.37Å; W268-I272 PolarHBondContact O-N 2.89Å; N269-I272 PolarHBondContact O-N 3.23Å; I272-W274 PolarHBondContact O-N 3.01Å; I272-A275 PolarHBondContact O-N 3.46Å; I272-V276 HydrophobicContact CG2-CG2 4Å; I272-V276 WeakPolarHBondContact O-CB 3.35Å; I272-V276 VanDerWaalsContact O-CG2 3.25Å; I272-V276 WeakPolarHBondContact O-CG2 3.38Å; I272-V276 PolarHBondContact O-N 2.99Å; I272-L312 HydrophobicContact CG1-CD2 4.23Å; I272-L312 HydrophobicContact CG1-CG 4.26Å; I272-F313 HydrophobicContact CD1-CD1 4.04Å; I272-F313 HydrophobicContact CD1-CE1 4.07Å; I272-F313 HydrophobicContact CG1-CE1 4.47Å; I272-F313 HydrophobicContact CG2-CD1 4.24Å; I272-F313 HydrophobicContact CG2-CE1 3.4Å; I272-F313 HydrophobicContact CG2-CE2 4.27Å; I272-F313 HydrophobicContact CG2-CZ 3.41Å; I272-F313 VanDerWaalsContact CG2-CZ 3.41Å; I272-A316 HydrophobicContact CD1-CB 3.99Å; I272-L326 HydrophobicContact CD1-CD2 3.65Å; I272-R329 VanDerWaalsContact CG2-NH2 3.31Å |
| 273 | D | 96.1 | Very high | 90.2 | Very high | 92 Ų | 92 | 58.2 Ų | 58.2 | 49% | 0.492 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.2 | -46.7 | 177.4 | -85 | -34.2 | 0 | 0 | 0 | 111.9 | N269 I270 Y271 A275 H277 R329 | N269-D273 WeakPolarHBondContact O-CB 3.43Å; N269-D273 PolarHBondContact O-N 3.43Å; I270-D273 PolarHBondContact O-N 3.42Å; Y271-D273 PolarHBondContact O-N 2.91Å; D273-A275 VanDerWaalsContact C-N 3.31Å; D273-A275 PolarHBondContact O-N 2.74Å; D273-H277 VanDerWaalsContact O-CB 3.29Å; D273-H277 WeakPolarHBondContact O-CB 3.43Å; D273-H277 PolarHBondContact O-N 3.32Å; D273-R329 VanDerWaalsContact CG-NH2 3.26Å; D273-R329 IonicContact OD1-CZ 3.72Å; D273-R329 IonicContact OD1-NH1 3.72Å; D273-R329 IonicContact OD1-NH2 3.53Å; D273-R329 PolarHBondContact OD1-NH2 3.36Å; D273-R329 IonicContact OD2-NH1 3.75Å; D273-R329 IonicContact OD2-NH2 2.78Å |
| 274 | W | 95.9 | Very high | 87.9 | Confident | 53 Ų | 53 | 57.6 Ų | 57.6 | 20% | 0.201 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.3 | -45.1 | 173.6 | 173.2 | 87.3 | 0 | 0 | 0 | 111.2 | V245 I246 F249 I270 Y271 I272 H277 C278 F302 I304 | V245-W274 HydrophobicContact CG1-CH2 3.95Å; V245-W274 HydrophobicContact CG1-CZ2 3.51Å; I246-W274 HydrophobicContact CG1-CH2 4.27Å; I246-W274 HydrophobicContact CG1-CZ3 4.48Å; F249-W274 HydrophobicContact CD2-CE3 4.46Å; F249-W274 HydrophobicContact CE1-CB 3.96Å; F249-W274 HydrophobicContact CE1-CD2 4.45Å; F249-W274 HydrophobicContact CE1-CG 4.1Å; F249-W274 AromaticContact CE2-CD2 3.71Å; F249-W274 HydrophobicContact CE2-CD2 3.71Å; F249-W274 AromaticContact CE2-CE2 3.89Å; F249-W274 AromaticContact CE2-CE3 3.92Å; F249-W274 HydrophobicContact CE2-CE3 3.92Å; F249-W274 HydrophobicContact CE2-CG 4.08Å; F249-W274 HydrophobicContact CE2-CH2 4.38Å; F249-W274 HydrophobicContact CE2-CZ2 4.26Å; F249-W274 HydrophobicContact CE2-CZ3 4.25Å; F249-W274 HydrophobicContact CZ-CB 3.83Å; F249-W274 AromaticContact CZ-CD1 3.74Å; F249-W274 AromaticContact CZ-CD2 3.59Å; F249-W274 HydrophobicContact CZ-CD2 3.59Å; F249-W274 AromaticContact CZ-CE2 4Å; F249-W274 HydrophobicContact CZ-CE3 4.11Å; F249-W274 AromaticContact CZ-CG 3.44Å; F249-W274 HydrophobicContact CZ-CG 3.44Å; F249-W274 VanDerWaalsContact CZ-CG 3.44Å; I270-W274 PolarHBondContact O-N 3.3Å; Y271-W274 AromaticContact CD2-CE3 3.94Å; Y271-W274 HydrophobicContact CD2-CE3 3.94Å; Y271-W274 HydrophobicContact CD2-CZ3 4.33Å; Y271-W274 AromaticContact CE2-CE3 3.87Å; Y271-W274 HydrophobicContact CE2-CE3 3.87Å; Y271-W274 AromaticContact CE2-CZ3 3.79Å; Y271-W274 HydrophobicContact CE2-CZ3 3.79Å; Y271-W274 PolarHBondContact O-N 2.97Å; I272-W274 PolarHBondContact O-N 3.01Å; W274-H277 WeakPolarHBondContact O-CB 3.47Å; W274-H277 PolarHBondContact O-N 3.45Å; W274-C278 PolarHBondContact O-N 3.16Å; W274-C278 PolarHBondContact O-SG 3.48Å; W274-C278 VanDerWaalsContact O-SG 3.35Å; W274-F302 AromaticContact CH2-CD1 3.52Å; W274-F302 HydrophobicContact CH2-CD1 3.52Å; W274-F302 AromaticContact CH2-CE1 3.2Å; W274-F302 HydrophobicContact CH2-CE1 3.2Å; W274-F302 HydrophobicContact CH2-CE2 4.42Å; W274-F302 HydrophobicContact CH2-CG 4.27Å; W274-F302 AromaticContact CH2-CZ 3.73Å; W274-F302 HydrophobicContact CH2-CZ 3.73Å; W274-F302 AromaticContact CZ2-CD1 3.7Å; W274-F302 HydrophobicContact CZ2-CD1 3.7Å; W274-F302 AromaticContact CZ2-CE1 3.89Å; W274-F302 HydrophobicContact CZ2-CE1 3.89Å; W274-F302 HydrophobicContact CZ2-CG 4.16Å; W274-F302 HydrophobicContact CZ2-CZ 4.49Å; W274-F302 HydrophobicContact CZ3-CD1 4.47Å; W274-F302 AromaticContact CZ3-CE1 3.98Å; W274-F302 HydrophobicContact CZ3-CE1 3.98Å; W274-I304 HydrophobicContact CE3-CD1 4.09Å; W274-I304 HydrophobicContact CH2-CD1 4.16Å; W274-I304 HydrophobicContact CZ3-CD1 3.58Å |
| 275 | A | 95.3 | Very high | 85.3 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.008 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.2 | -44.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y271 I272 D273 H277 C278 A279 I304 L309 L312 | Y271-A275 WeakPolarHBondContact O-CB 3.25Å; Y271-A275 PolarHBondContact O-N 3.5Å; I272-A275 PolarHBondContact O-N 3.46Å; D273-A275 VanDerWaalsContact C-N 3.31Å; D273-A275 PolarHBondContact O-N 2.74Å; A275-H277 VanDerWaalsContact C-N 3.3Å; A275-H277 PolarHBondContact O-N 3.18Å; A275-C278 WeakPolarHBondContact O-CB 3.49Å; A275-C278 PolarHBondContact O-N 3.26Å; A275-A279 WeakPolarHBondContact O-CB 3.46Å; A275-A279 PolarHBondContact O-N 3.1Å; A275-I304 HydrophobicContact CB-CD1 3.46Å; A275-I304 VanDerWaalsContact CB-CD1 3.46Å; A275-L309 HydrophobicContact CB-CD1 3.83Å; A275-L312 HydrophobicContact CB-CD2 3.67Å |
| 276 | V | 94 | Very high | 82.7 | Confident | 20 Ų | 20 | 67.4 Ų | 67.4 | 12% | 0.121 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61 | -40.5 | 174.1 | 169.4 | 0 | 0 | 0 | 0 | 110.8 | I272 A279 K280 L309 F313 | I272-V276 HydrophobicContact CG2-CG2 4Å; I272-V276 WeakPolarHBondContact O-CB 3.35Å; I272-V276 VanDerWaalsContact O-CG2 3.25Å; I272-V276 WeakPolarHBondContact O-CG2 3.38Å; I272-V276 PolarHBondContact O-N 2.99Å; V276-A279 PolarHBondContact O-N 2.85Å; V276-K280 HydrophobicContact CG1-CD 4.03Å; V276-K280 WeakPolarHBondContact O-CG 3.45Å; V276-K280 PolarHBondContact O-N 2.91Å; V276-L309 HydrophobicContact CG2-CD1 4.26Å; V276-L309 HydrophobicContact CG2-CD2 3.9Å; V276-F313 HydrophobicContact CG2-CE2 4.37Å; V276-F313 HydrophobicContact CG2-CZ 4.15Å |
| 277 | H | 91.6 | Very high | 79.8 | Confident | 107 Ų | 107 | 68.8 Ų | 68.8 | 50% | 0.495 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63 | -43.8 | 175.1 | 176.3 | -97.7 | 0 | 0 | 0 | 111.6 | D273 W274 A275 K280 R281 | D273-H277 VanDerWaalsContact O-CB 3.29Å; D273-H277 WeakPolarHBondContact O-CB 3.43Å; D273-H277 PolarHBondContact O-N 3.32Å; W274-H277 WeakPolarHBondContact O-CB 3.47Å; W274-H277 PolarHBondContact O-N 3.45Å; A275-H277 VanDerWaalsContact C-N 3.3Å; A275-H277 PolarHBondContact O-N 3.18Å; H277-K280 PolarHBondContact O-N 3.46Å; H277-R281 PolarHBondContact O-N 2.95Å |
| 278 | C | 91.1 | Very high | 76.8 | Confident | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.7 | -41.2 | 174.4 | -72 | 0 | 0 | 0 | 0 | 112.4 | W274 A275 K280 R281 F302 I304 | W274-C278 PolarHBondContact O-N 3.16Å; W274-C278 PolarHBondContact O-SG 3.48Å; W274-C278 VanDerWaalsContact O-SG 3.35Å; A275-C278 WeakPolarHBondContact O-CB 3.49Å; A275-C278 PolarHBondContact O-N 3.26Å; C278-K280 PolarHBondContact O-N 3.44Å; C278-R281 WeakPolarHBondContact O-CB 3.49Å; C278-R281 PolarHBondContact O-N 3.11Å; C278-F302 HydrophobicContact CB-CD1 4.32Å; C278-I304 HydrophobicContact CB-CB 4.48Å; C278-I304 HydrophobicContact CB-CD1 3.86Å; C278-I304 HydrophobicContact CB-CG1 3.97Å |
| 279 | A | 89.1 | Confident | 73.9 | Confident | 22 Ų | 22 | 82.7 Ų | 82.7 | 18% | 0.182 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -66.3 | -34.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | A275 V276 R281 L309 Y333 | A275-A279 WeakPolarHBondContact O-CB 3.46Å; A275-A279 PolarHBondContact O-N 3.1Å; V276-A279 PolarHBondContact O-N 2.85Å; A279-R281 VanDerWaalsContact C-N 3.26Å; A279-R281 PolarHBondContact O-N 3.21Å; A279-L309 HydrophobicContact CB-CD2 3.88Å; A279-Y333 HydrophobicContact CB-CE2 4.47Å |
| 280 | K | 84 | Confident | 70.9 | Confident | 130 Ų | 130 | 87 Ų | 87 | 57% | 0.565 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -73.7 | -13.5 | 177.8 | -74.5 | 172.5 | -179.8 | 168.8 | 0 | 113.6 | V276 H277 C278 K282 | V276-K280 HydrophobicContact CG1-CD 4.03Å; V276-K280 WeakPolarHBondContact O-CG 3.45Å; V276-K280 PolarHBondContact O-N 2.91Å; H277-K280 PolarHBondContact O-N 3.46Å; C278-K280 PolarHBondContact O-N 3.44Å; K280-K282 PolarHBondContact O-N 3.5Å |
| 281 | R | 75.5 | Confident | 67.9 | Low | 80 Ų | 80 | 89.4 Ų | 89.4 | 30% | 0.302 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -65.2 | 117.4 | 176.2 | -72.2 | 178.3 | 171.2 | 169.5 | -4.5 | 109.4 | H277 C278 A279 K283 S299 T300 | H277-R281 PolarHBondContact O-N 2.95Å; C278-R281 WeakPolarHBondContact O-CB 3.49Å; C278-R281 PolarHBondContact O-N 3.11Å; A279-R281 VanDerWaalsContact C-N 3.26Å; A279-R281 PolarHBondContact O-N 3.21Å; R281-K283 PolarHBondContact O-N 2.99Å; R281-S299 PolarHBondContact NH1-O 3.31Å; R281-T300 PolarHBondContact NH1-O 3.28Å; R281-T300 VanDerWaalsContact NH1-O 3.09Å |
| 282 | K | 62.2 | Low | 65 | Low | 196 Ų | 196 | 94.9 Ų | 94.9 | 85% | 0.852 | 48% | 0.484 | S | S | * | . | trans | -63.9 | 127.2 | 165.8 | -68.4 | -177.5 | 179.1 | 177.2 | 0 | 107.4 | K280 P284 | K280-K282 PolarHBondContact O-N 3.5Å; K282-P284 VanDerWaalsContact O-N 3.13Å | ||
| 283 | K | 53.3 | Low | 62.2 | Low | 173 Ų | 173 | 104.6 Ų | 104.6 | 75% | 0.752 | 53% | 0.526 | S | S | * | . | trans | -37.1 | 123.5 | 173.1 | -81.1 | -173.4 | 177 | -178.9 | 0 | 109.1 | R281 K285 | R281-K283 PolarHBondContact O-N 2.99Å; K283-K285 PolarHBondContact O-N 2.92Å; K283-K285 VanDerWaalsContact O-N 3.13Å | ||
| 284 | P | 45.4 | Very low | 59.3 | Low | 81 Ų | 81 | 105.3 Ų | 105.3 | 53% | 0.526 | 53% | 0.53 | S | S | . | . | trans | -54.5 | 127.7 | 173.6 | 19.2 | -27.6 | 0 | 0 | 0 | 107.3 | K282 T286 N301 | K282-P284 VanDerWaalsContact O-N 3.13Å; P284-T286 PolarHBondContact O-N 3.22Å; P284-N301 WeakPolarHBondContact CG-OD1 3.33Å | ||
| 285 | K | 41.2 | Very low | 56.7 | Low | 106 Ų | 106 | 109.6 Ų | 109.6 | 46% | 0.461 | 56% | 0.557 | S | S | . | * | trans | -61.8 | 116.3 | 173.6 | -69.7 | 175.1 | -175.5 | 165.2 | 0 | 105.4 | K283 S287 N812 V814 | K283-K285 PolarHBondContact O-N 2.92Å; K283-K285 VanDerWaalsContact O-N 3.13Å; K285-S287 PolarHBondContact O-N 3.44Å; K285-N812 WeakPolarHBondContact CD-ND2 3.49Å; K285-N812 PolarHBondContact NZ-ND2 3.48Å; K285-N812 PolarHBondContact NZ-OD1 3.48Å; K285-V814 HydrophobicContact CD-CG2 4.27Å | ||
| 286 | T | 39.6 | Very low | 54.1 | Low | 128 Ų | 128 | 117.8 Ų | 117.8 | 79% | 0.785 | 60% | 0.595 | S | S | * | * | trans | -36.4 | 94.5 | 175.9 | 53.7 | 0 | 0 | 0 | 0 | 111.3 | P284 | P284-T286 PolarHBondContact O-N 3.22Š| ||
| 287 | S | 35.6 | Very low | 51.7 | Low | 91 Ų | 91 | 120.9 Ų | 120.9 | 64% | 0.636 | 61% | 0.611 | S | S | * | * | trans | -90.3 | 109.1 | 158.7 | 50.2 | 0 | 0 | 0 | 0 | 105 | K285 T289 | K285-S287 PolarHBondContact O-N 3.44Å; S287-T289 PolarHBondContact O-N 2.96Å | ||
| 288 | K | 34.5 | Very low | 49.7 | Very low | 211 Ų | 211 | 119.6 Ų | 119.6 | 92% | 0.917 | 61% | 0.606 | S | S | * | * | trans | -60.7 | 91.9 | 160.9 | -74.4 | 179.9 | 174.7 | -178.4 | 0 | 106.9 | ||||
| 289 | T | 36.6 | Very low | 47.9 | Very low | 108 Ų | 108 | 122.8 Ų | 122.8 | 66% | 0.663 | 63% | 0.629 | S | S | * | * | trans | -137.7 | 91.6 | 164.1 | 44.1 | 0 | 0 | 0 | 0 | 105.8 | S287 | S287-T289 PolarHBondContact O-N 2.96Š| ||
| 290 | T | 35.3 | Very low | 46.3 | Very low | 123 Ų | 123 | 124.9 Ų | 124.9 | 76% | 0.755 | 64% | 0.639 | S | S | * | * | trans | -58.6 | 150.9 | 155.1 | 42.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 291 | D | 33.9 | Very low | 45.5 | Very low | 144 Ų | 144 | 123.6 Ų | 123.6 | 77% | 0.77 | 64% | 0.639 | S | S | * | * | trans | 85.3 | 71.9 | 171.1 | -46.7 | -32.3 | 0 | 0 | 0 | 116.4 | ||||
| 292 | N | 36.7 | Very low | 45.8 | Very low | 126 Ų | 126 | 120.4 Ų | 120.4 | 67% | 0.674 | 63% | 0.627 | S | S | * | * | trans | -147.8 | 97.8 | 132.4 | -120.7 | -6 | 0 | 0 | 0 | 109.5 | N294 | N292-N294 PolarHBondContact O-N 2.83Š| ||
| 293 | K | 39.1 | Very low | 47 | Very low | 205 Ų | 205 | 113.3 Ų | 113.3 | 89% | 0.891 | 60% | 0.6 | S | S | * | * | trans | -72.3 | 49.5 | 171.3 | -73.9 | -175.8 | 174.4 | 178.9 | 0 | 111.5 | ||||
| 294 | N | 35.3 | Very low | 48.8 | Very low | 106 Ų | 106 | 105.8 Ų | 105.8 | 57% | 0.567 | 57% | 0.568 | S | S | * | * | trans | -100 | 109.1 | 164.1 | -73.2 | 0.7 | 0 | 0 | 0 | 106.8 | N292 E296 N297 | N292-N294 PolarHBondContact O-N 2.83Å; N294-E296 PolarHBondContact O-N 2.87Å; N294-N297 PolarHBondContact O-N 3.15Å | ||
| 295 | N | 40.6 | Very low | 51 | Low | 143 Ų | 143 | 104.1 Ų | 104.1 | 77% | 0.765 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -55.9 | -5.1 | -177.2 | -91.9 | -6 | 0 | 0 | 0 | 115.1 | N297 | N295-N297 PolarHBondContact O-N 3.36Š|
| 296 | E | 40.8 | Very low | 53.5 | Low | 173 Ų | 173 | 101.7 Ų | 101.7 | 81% | 0.808 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -77.2 | -5.3 | 177.5 | -63.8 | -173.5 | 164.2 | 0 | 0 | 113.9 | N294 | N294-E296 PolarHBondContact O-N 2.87Š|
| 297 | N | 43.7 | Very low | 56 | Low | 85 Ų | 85 | 99.4 Ų | 99.4 | 46% | 0.455 | 54% | 0.536 | S | S | . | . | G | 310 helix | trans | -85.5 | -3.3 | 179.5 | -81.2 | -30 | 0 | 0 | 0 | 115.4 | N294 N295 T300 | N294-N297 PolarHBondContact O-N 3.15Å; N295-N297 PolarHBondContact O-N 3.36Å; N297-T300 PolarHBondContact O-N 2.91Å; N297-T300 PolarHBondContact O-OG1 3.17Å |
| 298 | I | 50 | Low | 58.9 | Low | 80 Ų | 80 | 96.7 Ų | 96.7 | 41% | 0.41 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -44.7 | -178.7 | -62.4 | 173.7 | 0 | 0 | 0 | 110.4 | V245 T300 N301 | V245-I298 HydrophobicContact CG2-CG2 4.44Å; I298-T300 PolarHBondContact O-N 3.18Å; I298-N301 PolarHBondContact O-N 3.39Å |
| 299 | S | 52.7 | Low | 61.8 | Low | 67 Ų | 67 | 86.6 Ų | 86.6 | 47% | 0.469 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -16.2 | 177.9 | -54.4 | 0 | 0 | 0 | 0 | 114.1 | R281 | R281-S299 PolarHBondContact NH1-O 3.31Š|
| 300 | T | 55.6 | Low | 64.6 | Low | 66 Ų | 66 | 81.9 Ų | 81.9 | 41% | 0.405 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -24.7 | -177.7 | 64.8 | 0 | 0 | 0 | 0 | 113.1 | R281 N297 I298 | R281-T300 PolarHBondContact NH1-O 3.28Å; R281-T300 VanDerWaalsContact NH1-O 3.09Å; N297-T300 PolarHBondContact O-N 2.91Å; N297-T300 PolarHBondContact O-OG1 3.17Å; I298-T300 PolarHBondContact O-N 3.18Å |
| 301 | N | 68.6 | Low | 67.5 | Low | 103 Ų | 103 | 76.2 Ų | 76.2 | 55% | 0.551 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -100.2 | 2 | 179.5 | -78.3 | -24.7 | 0 | 0 | 0 | 114.7 | P284 I298 V303 | P284-N301 WeakPolarHBondContact CG-OD1 3.33Å; I298-N301 PolarHBondContact O-N 3.39Å; N301-V303 PolarHBondContact O-N 3.17Å |
| 302 | F | 81.9 | Confident | 70.6 | Confident | 13 Ų | 13 | 69.7 Ų | 69.7 | 6% | 0.057 | 37% | 0.372 | C | S | . | . | trans | -63 | 124.6 | 177.7 | -161.2 | -89.7 | 0 | 0 | 0 | 111.3 | R242 V245 I246 W274 C278 I304 | R242-F302 HydrophobicContact CB-CE2 3.8Å; R242-F302 HydrophobicContact CB-CZ 4.4Å; R242-F302 HydrophobicContact CG-CD2 4.4Å; R242-F302 HydrophobicContact CG-CE2 3.72Å; R242-F302 HydrophobicContact CG-CZ 4.45Å; V245-F302 HydrophobicContact CB-CD2 4.29Å; V245-F302 HydrophobicContact CB-CE2 4.16Å; V245-F302 HydrophobicContact CG1-CD2 4.09Å; V245-F302 HydrophobicContact CG1-CE2 4.21Å; V245-F302 HydrophobicContact CG2-CD2 4.49Å; I246-F302 HydrophobicContact CD1-CZ 3.97Å; I246-F302 HydrophobicContact CG1-CZ 4.01Å; W274-F302 AromaticContact CH2-CD1 3.52Å; W274-F302 HydrophobicContact CH2-CD1 3.52Å; W274-F302 AromaticContact CH2-CE1 3.2Å; W274-F302 HydrophobicContact CH2-CE1 3.2Å; W274-F302 HydrophobicContact CH2-CE2 4.42Å; W274-F302 HydrophobicContact CH2-CG 4.27Å; W274-F302 AromaticContact CH2-CZ 3.73Å; W274-F302 HydrophobicContact CH2-CZ 3.73Å; W274-F302 AromaticContact CZ2-CD1 3.7Å; W274-F302 HydrophobicContact CZ2-CD1 3.7Å; W274-F302 AromaticContact CZ2-CE1 3.89Å; W274-F302 HydrophobicContact CZ2-CE1 3.89Å; W274-F302 HydrophobicContact CZ2-CG 4.16Å; W274-F302 HydrophobicContact CZ2-CZ 4.49Å; W274-F302 HydrophobicContact CZ3-CD1 4.47Å; W274-F302 AromaticContact CZ3-CE1 3.98Å; W274-F302 HydrophobicContact CZ3-CE1 3.98Å; C278-F302 HydrophobicContact CB-CD1 4.32Å; F302-I304 HydrophobicContact CD1-CD1 4.35Å; F302-I304 HydrophobicContact CD1-CG1 3.84Å; F302-I304 HydrophobicContact CE1-CD1 3.86Å; F302-I304 HydrophobicContact CE1-CG1 3.38Å | ||
| 303 | V | 86.1 | Confident | 73.5 | Confident | 48 Ų | 48 | 63.8 Ų | 63.8 | 29% | 0.291 | 34% | 0.34 | S | S | . | . | trans | -123.7 | 128.3 | 177.4 | 178.9 | 0 | 0 | 0 | 0 | 108.7 | R242 N301 | R242-V303 PolarHBondContact NH1-O 3.02Å; R242-V303 PolarHBondContact NH2-O 3.02Å; N301-V303 PolarHBondContact O-N 3.17Å | ||
| 304 | I | 91.4 | Very high | 76.3 | Confident | 15 Ų | 15 | 54.2 Ų | 54.2 | 8% | 0.077 | 30% | 0.298 | C | S | . | . | trans | -100 | 127.8 | 174.7 | -66.2 | 179.8 | 0 | 0 | 0 | 108.4 | W274 A275 C278 F302 E308 L309 | W274-I304 HydrophobicContact CE3-CD1 4.09Å; W274-I304 HydrophobicContact CH2-CD1 4.16Å; W274-I304 HydrophobicContact CZ3-CD1 3.58Å; A275-I304 HydrophobicContact CB-CD1 3.46Å; A275-I304 VanDerWaalsContact CB-CD1 3.46Å; C278-I304 HydrophobicContact CB-CB 4.48Å; C278-I304 HydrophobicContact CB-CD1 3.86Å; C278-I304 HydrophobicContact CB-CG1 3.97Å; F302-I304 HydrophobicContact CD1-CD1 4.35Å; F302-I304 HydrophobicContact CD1-CG1 3.84Å; F302-I304 HydrophobicContact CE1-CD1 3.86Å; F302-I304 HydrophobicContact CE1-CG1 3.38Å; I304-E308 HydrophobicContact CG2-CB 3.84Å; I304-L309 HydrophobicContact CG2-CB 3.93Å | ||
| 305 | S | 91.7 | Very high | 79.2 | Confident | 45 Ų | 45 | 50.8 Ų | 50.8 | 32% | 0.315 | 28% | 0.277 | S | S | . | . | trans | -73.3 | 156.4 | 173.7 | 69.8 | 0 | 0 | 0 | 0 | 110.9 | N307 E308 L309 | S305-N307 VanDerWaalsContact C-N 3.28Å; S305-N307 PolarHBondContact O-N 2.99Å; S305-E308 WeakPolarHBondContact CB-OE2 3.36Å; S305-E308 PolarHBondContact N-OE2 3Å; S305-E308 PolarHBondContact O-N 3.3Å; S305-E308 WeakPolarHBondContact OG-CG 3.45Å; S305-E308 PolarHBondContact OG-N 3.24Å; S305-E308 PolarHBondContact OG-OE2 3.17Å; S305-L309 PolarHBondContact O-N 3.32Å | ||
| 306 | P | 92.7 | Very high | 82 | Confident | 56 Ų | 56 | 44 Ų | 44 | 36% | 0.364 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.3 | -35.6 | 180 | -26.1 | 34.9 | 0 | 0 | 0 | 115 | L309 C310 Y333 L338 | P306-L309 PolarHBondContact O-N 3.45Å; P306-C310 PolarHBondContact O-N 2.94Å; P306-C310 PolarHBondContact O-SG 3.35Å; P306-C310 VanDerWaalsContact O-SG 3.41Å; P306-Y333 WeakPolarHBondContact CA-OH 3.29Å; P306-Y333 WeakPolarHBondContact CB-OH 3.4Å; P306-L338 HydrophobicContact CB-CD1 4.48Å; P306-L338 HydrophobicContact CB-CD2 3.86Å; P306-L338 HydrophobicContact CG-CD2 4.34Å |
| 307 | N | 93.6 | Very high | 84.7 | Confident | 79 Ų | 79 | 35.7 Ų | 35.7 | 42% | 0.422 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -73.6 | -33.1 | 179.9 | -67.7 | -18.7 | 0 | 0 | 0 | 112.6 | L146 S305 L309 C310 C311 | L146-N307 HydrophobicContact CD1-CB 3.82Å; S305-N307 VanDerWaalsContact C-N 3.28Å; S305-N307 PolarHBondContact O-N 2.99Å; N307-L309 VanDerWaalsContact C-N 3.31Å; N307-L309 PolarHBondContact O-N 3.1Å; N307-C310 PolarHBondContact O-N 3.2Å; N307-C311 VanDerWaalsContact O-CB 3.3Å; N307-C311 WeakPolarHBondContact O-CB 3.44Å; N307-C311 PolarHBondContact O-N 3.49Å |
| 308 | E | 95.1 | Very high | 87.2 | Confident | 34 Ų | 34 | 33 Ų | 33 | 16% | 0.159 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.7 | -42.1 | 171.9 | -74.7 | 169.1 | 129.6 | 0 | 0 | 110.8 | L146 R242 I304 S305 C311 L312 | L146-E308 HydrophobicContact CB-CG 4.3Å; L146-E308 HydrophobicContact CD1-CG 3.83Å; L146-E308 HydrophobicContact CD2-CG 4.14Å; L146-E308 HydrophobicContact CG-CG 4.32Å; R242-E308 IonicContact CZ-OE1 3.22Å; R242-E308 VanDerWaalsContact NH2-CD 3.28Å; R242-E308 IonicContact NH2-OE1 3.41Å; R242-E308 PolarHBondContact NH2-OE1 3.31Å; R242-E308 IonicContact NH2-OE2 3.34Å; R242-E308 PolarHBondContact NH2-OE2 3.45Å; R242-E308 VanDerWaalsContact NH2-OE2 3.13Å; I304-E308 HydrophobicContact CG2-CB 3.84Å; S305-E308 WeakPolarHBondContact CB-OE2 3.36Å; S305-E308 PolarHBondContact N-OE2 3Å; S305-E308 PolarHBondContact O-N 3.3Å; S305-E308 WeakPolarHBondContact OG-CG 3.45Å; S305-E308 PolarHBondContact OG-N 3.24Å; S305-E308 PolarHBondContact OG-OE2 3.17Å; E308-C311 PolarHBondContact O-N 3.39Å; E308-L312 WeakPolarHBondContact O-CB 3.24Å; E308-L312 PolarHBondContact O-N 2.85Å |
| 309 | L | 95.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -71.8 | -38.6 | 178.3 | -176 | 49.4 | 0 | 0 | 0 | 112.4 | A275 V276 A279 I304 S305 P306 N307 L312 F313 Y333 | A275-L309 HydrophobicContact CB-CD1 3.83Å; V276-L309 HydrophobicContact CG2-CD1 4.26Å; V276-L309 HydrophobicContact CG2-CD2 3.9Å; A279-L309 HydrophobicContact CB-CD2 3.88Å; I304-L309 HydrophobicContact CG2-CB 3.93Å; S305-L309 PolarHBondContact O-N 3.32Å; P306-L309 PolarHBondContact O-N 3.45Å; N307-L309 VanDerWaalsContact C-N 3.31Å; N307-L309 PolarHBondContact O-N 3.1Å; L309-L312 HydrophobicContact CD1-CD2 4.17Å; L309-L312 WeakPolarHBondContact O-CB 3.48Å; L309-L312 PolarHBondContact O-N 2.88Å; L309-F313 HydrophobicContact CD1-CD2 3.83Å; L309-F313 HydrophobicContact CD1-CE2 3.6Å; L309-F313 HydrophobicContact CD1-CZ 4.44Å; L309-F313 HydrophobicContact CD2-CE2 4.29Å; L309-F313 HydrophobicContact CG-CD2 3.9Å; L309-F313 HydrophobicContact CG-CE2 3.69Å; L309-F313 WeakPolarHBondContact O-CD2 3.42Å; L309-F313 PolarHBondContact O-N 3.01Å; L309-Y333 HydrophobicContact CB-CE1 4.43Å; L309-Y333 HydrophobicContact CD2-CD1 4.46Å; L309-Y333 HydrophobicContact CD2-CD2 3.67Å; L309-Y333 HydrophobicContact CD2-CE1 4.14Å; L309-Y333 HydrophobicContact CD2-CE2 3.26Å; L309-Y333 HydrophobicContact CD2-CG 4.26Å; L309-Y333 HydrophobicContact CG-CD1 4.49Å; L309-Y333 HydrophobicContact CG-CD2 4.49Å; L309-Y333 HydrophobicContact CG-CE1 4.2Å; L309-Y333 HydrophobicContact CG-CE2 4.2Å |
| 310 | C | 96.1 | Very high | 91.3 | Very high | 8 Ų | 8 | 29.8 Ų | 29.8 | 5% | 0.054 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.1 | -48.5 | 170.7 | -76.1 | 0 | 0 | 0 | 0 | 111.5 | P306 N307 L312 F313 E314 Y330 R344 | P306-C310 PolarHBondContact O-N 2.94Å; P306-C310 PolarHBondContact O-SG 3.35Å; P306-C310 VanDerWaalsContact O-SG 3.41Å; N307-C310 PolarHBondContact O-N 3.2Å; C310-L312 VanDerWaalsContact C-N 3.26Å; C310-L312 PolarHBondContact O-N 3.12Å; C310-F313 PolarHBondContact O-N 3.47Å; C310-F313 VanDerWaalsContact O-N 3.14Å; C310-E314 WeakPolarHBondContact O-CG 3.25Å; C310-E314 PolarHBondContact O-N 2.94Å; C310-Y330 HydrophobicContact CB-CE2 4.36Å; C310-R344 PolarHBondContact SG-NH1 3.15Å |
| 311 | C | 97.2 | Very high | 93.2 | Very high | 5 Ų | 5 | 27.8 Ų | 27.8 | 3% | 0.034 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.5 | -41.3 | 176.4 | -174.2 | 0 | 0 | 0 | 0 | 111.2 | H143 L146 N307 E308 E314 R315 | H143-C311 PolarHBondContact O-SG 3.15Å; H143-C311 VanDerWaalsContact O-SG 3.41Å; L146-C311 HydrophobicContact CB-CB 4.4Å; N307-C311 VanDerWaalsContact O-CB 3.3Å; N307-C311 WeakPolarHBondContact O-CB 3.44Å; N307-C311 PolarHBondContact O-N 3.49Å; E308-C311 PolarHBondContact O-N 3.39Å; C311-E314 PolarHBondContact O-N 3.49Å; C311-R315 VanDerWaalsContact O-CG 3.27Å; C311-R315 WeakPolarHBondContact O-CG 3.47Å; C311-R315 PolarHBondContact O-N 2.92Å |
| 312 | L | 97.8 | Very high | 94.5 | Very high | 7 Ų | 7 | 27.7 Ų | 27.7 | 4% | 0.037 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.4 | -45.4 | 175.1 | 179 | 60.4 | 0 | 0 | 0 | 112.9 | W268 Y271 I272 A275 E308 L309 C310 R315 A316 | W268-L312 HydrophobicContact CE3-CD1 4.23Å; W268-L312 HydrophobicContact CZ3-CD1 3.64Å; Y271-L312 HydrophobicContact CD1-CD1 3.47Å; Y271-L312 VanDerWaalsContact CD1-CD1 3.47Å; Y271-L312 HydrophobicContact CD1-CD2 4.14Å; Y271-L312 HydrophobicContact CD1-CG 4.43Å; Y271-L312 HydrophobicContact CD2-CD2 4.14Å; Y271-L312 HydrophobicContact CE1-CD1 3.24Å; Y271-L312 HydrophobicContact CE1-CD2 4.07Å; Y271-L312 HydrophobicContact CE1-CG 4.3Å; Y271-L312 HydrophobicContact CE2-CD2 4.06Å; Y271-L312 HydrophobicContact CG-CD1 4.28Å; Y271-L312 HydrophobicContact CG-CD2 4.15Å; I272-L312 HydrophobicContact CG1-CD2 4.23Å; I272-L312 HydrophobicContact CG1-CG 4.26Å; A275-L312 HydrophobicContact CB-CD2 3.67Å; E308-L312 WeakPolarHBondContact O-CB 3.24Å; E308-L312 PolarHBondContact O-N 2.85Å; L309-L312 HydrophobicContact CD1-CD2 4.17Å; L309-L312 WeakPolarHBondContact O-CB 3.48Å; L309-L312 PolarHBondContact O-N 2.88Å; C310-L312 VanDerWaalsContact C-N 3.26Å; C310-L312 PolarHBondContact O-N 3.12Å; L312-R315 PolarHBondContact O-N 3.49Å; L312-A316 PolarHBondContact O-N 2.8Å; L312-A316 VanDerWaalsContact O-N 3.1Å |
| 313 | F | 98.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 29 Ų | 29 | 0% | 0.004 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.8 | -44.8 | 176 | -85.5 | -66.9 | 0 | 0 | 0 | 111.9 | I272 V276 L309 C310 R315 A316 I317 R329 Y330 Y333 | I272-F313 HydrophobicContact CD1-CD1 4.04Å; I272-F313 HydrophobicContact CD1-CE1 4.07Å; I272-F313 HydrophobicContact CG1-CE1 4.47Å; I272-F313 HydrophobicContact CG2-CD1 4.24Å; I272-F313 HydrophobicContact CG2-CE1 3.4Å; I272-F313 HydrophobicContact CG2-CE2 4.27Å; I272-F313 HydrophobicContact CG2-CZ 3.41Å; I272-F313 VanDerWaalsContact CG2-CZ 3.41Å; V276-F313 HydrophobicContact CG2-CE2 4.37Å; V276-F313 HydrophobicContact CG2-CZ 4.15Å; L309-F313 HydrophobicContact CD1-CD2 3.83Å; L309-F313 HydrophobicContact CD1-CE2 3.6Å; L309-F313 HydrophobicContact CD1-CZ 4.44Å; L309-F313 HydrophobicContact CD2-CE2 4.29Å; L309-F313 HydrophobicContact CG-CD2 3.9Å; L309-F313 HydrophobicContact CG-CE2 3.69Å; L309-F313 WeakPolarHBondContact O-CD2 3.42Å; L309-F313 PolarHBondContact O-N 3.01Å; C310-F313 PolarHBondContact O-N 3.47Å; C310-F313 VanDerWaalsContact O-N 3.14Å; F313-R315 VanDerWaalsContact C-N 3.34Å; F313-R315 PolarHBondContact O-N 2.84Å; F313-A316 PolarHBondContact O-N 3.14Å; F313-I317 WeakPolarHBondContact O-CB 3.21Å; F313-I317 WeakPolarHBondContact O-CG1 3.22Å; F313-I317 PolarHBondContact O-N 2.76Å; F313-R329 HydrophobicContact CE1-CB 4.07Å; F313-R329 HydrophobicContact CZ-CB 4.46Å; F313-Y330 HydrophobicContact CB-CD1 3.86Å; F313-Y330 HydrophobicContact CB-CD2 3.72Å; F313-Y330 HydrophobicContact CB-CE1 4.1Å; F313-Y330 HydrophobicContact CB-CE2 3.97Å; F313-Y330 HydrophobicContact CB-CG 3.69Å; F313-Y330 HydrophobicContact CD1-CD2 4.29Å; F313-Y330 HydrophobicContact CD1-CG 4.04Å; F313-Y330 AromaticContact CD2-CD2 3.49Å; F313-Y330 HydrophobicContact CD2-CD2 3.49Å; F313-Y330 VanDerWaalsContact CD2-CD2 3.49Å; F313-Y330 HydrophobicContact CD2-CE2 4.02Å; F313-Y330 HydrophobicContact CD2-CG 4.09Å; F313-Y330 HydrophobicContact CE2-CD2 4.12Å; F313-Y330 HydrophobicContact CG-CD1 4.37Å; F313-Y330 AromaticContact CG-CD2 3.6Å; F313-Y330 HydrophobicContact CG-CD2 3.6Å; F313-Y330 HydrophobicContact CG-CE2 4.23Å; F313-Y330 AromaticContact CG-CG 3.71Å; F313-Y330 HydrophobicContact CG-CG 3.71Å; F313-Y333 HydrophobicContact CE2-CD1 4.23Å; F313-Y333 HydrophobicContact CE2-CG 4.03Å |
| 314 | E | 97.5 | Very high | 95.7 | Very high | 4 Ų | 4 | 28.5 Ų | 28.5 | 2% | 0.019 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.9 | -39.9 | 178.8 | -69.7 | -68.9 | 167.8 | 0 | 0 | 111.6 | E106 C310 C311 A316 I317 T318 Y330 R351 | E106-E314 HydrophobicContact CB-CB 4.19Å; E106-E314 HydrophobicContact CB-CG 4.35Å; E106-E314 HydrophobicContact CG-CG 4.42Å; C310-E314 WeakPolarHBondContact O-CG 3.25Å; C310-E314 PolarHBondContact O-N 2.94Å; C311-E314 PolarHBondContact O-N 3.49Å; E314-A316 PolarHBondContact O-N 2.89Å; E314-I317 PolarHBondContact O-N 3.13Å; E314-T318 WeakPolarHBondContact O-CB 3.47Å; E314-T318 PolarHBondContact O-N 3.47Å; E314-T318 PolarHBondContact O-OG1 3.32Å; E314-Y330 HydrophobicContact CG-CE1 4.29Å; E314-Y330 VanDerWaalsContact OE1-CE1 3.25Å; E314-Y330 WeakPolarHBondContact OE1-CE1 3.41Å; E314-Y330 PolarHBondContact OE1-OH 3.43Å; E314-R351 VanDerWaalsContact CD-NH1 3.28Å; E314-R351 IonicContact OE1-NH1 3.82Å; E314-R351 PolarHBondContact OE1-NH1 3.45Å; E314-R351 IonicContact OE2-CZ 2.75Å; E314-R351 IonicContact OE2-NH1 2.74Å; E314-R351 PolarHBondContact OE2-NH1 2.98Å; E314-R351 IonicContact OE2-NH2 3.57Å; E314-R351 PolarHBondContact OE2-NH2 2.98Å |
| 315 | R | 97.5 | Very high | 96 | Very high | 34 Ų | 34 | 29.9 Ų | 29.9 | 13% | 0.128 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.2 | -48.1 | 172.6 | -72.2 | 170.4 | 65.8 | -153.2 | -3.4 | 112 | N147 E250 W268 C311 L312 F313 I317 T318 A319 | N147-R315 PolarHBondContact OD1-NE 3.09Å; E250-R315 IonicContact OE1-CZ 2.94Å; E250-R315 IonicContact OE1-NH1 3.45Å; E250-R315 PolarHBondContact OE1-NH1 3.25Å; E250-R315 IonicContact OE1-NH2 2.78Å; E250-R315 PolarHBondContact OE1-NH2 3.38Å; E250-R315 IonicContact OE2-CZ 3.86Å; E250-R315 IonicContact OE2-NH1 3.59Å; E250-R315 IonicContact OE2-NH2 3.03Å; E250-R315 PolarHBondContact OE2-NH2 3.27Å; W268-R315 HydrophobicContact CH2-CB 4.02Å; W268-R315 HydrophobicContact CZ3-CB 4.44Å; C311-R315 VanDerWaalsContact O-CG 3.27Å; C311-R315 WeakPolarHBondContact O-CG 3.47Å; C311-R315 PolarHBondContact O-N 2.92Å; L312-R315 PolarHBondContact O-N 3.49Å; F313-R315 VanDerWaalsContact C-N 3.34Å; F313-R315 PolarHBondContact O-N 2.84Å; R315-I317 VanDerWaalsContact C-N 3.34Å; R315-I317 PolarHBondContact O-N 3.38Å; R315-T318 PolarHBondContact O-N 3.24Å; R315-A319 PolarHBondContact O-N 3.16Å; R315-A319 VanDerWaalsContact O-N 3.16Å |
| 316 | A | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64 | -39.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | W268 I272 L312 F313 E314 A319 H320 L326 | W268-A316 HydrophobicContact CB-CB 4.5Å; W268-A316 HydrophobicContact CD2-CB 3.79Å; W268-A316 HydrophobicContact CE3-CB 3.69Å; W268-A316 HydrophobicContact CG-CB 4.17Å; W268-A316 HydrophobicContact CZ3-CB 4.2Å; I272-A316 HydrophobicContact CD1-CB 3.99Å; L312-A316 PolarHBondContact O-N 2.8Å; L312-A316 VanDerWaalsContact O-N 3.1Å; F313-A316 PolarHBondContact O-N 3.14Å; E314-A316 PolarHBondContact O-N 2.89Å; A316-A319 PolarHBondContact O-N 3.05Å; A316-H320 PolarHBondContact O-N 3.37Å; A316-L326 HydrophobicContact CB-CD1 4.3Å; A316-L326 HydrophobicContact CB-CD2 4.42Å |
| 317 | I | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -69 | -42.8 | 178.4 | -77.6 | 166.2 | 0 | 0 | 0 | 111.6 | F313 E314 R315 A319 H320 C321 L326 W327 Y330 | F313-I317 WeakPolarHBondContact O-CB 3.21Å; F313-I317 WeakPolarHBondContact O-CG1 3.22Å; F313-I317 PolarHBondContact O-N 2.76Å; E314-I317 PolarHBondContact O-N 3.13Å; R315-I317 VanDerWaalsContact C-N 3.34Å; R315-I317 PolarHBondContact O-N 3.38Å; I317-A319 PolarHBondContact O-N 2.91Å; I317-H320 CarbonylContact O-C 3.21Å; I317-H320 PolarHBondContact O-N 2.66Å; I317-C321 WeakPolarHBondContact O-CA 3.36Å; I317-C321 VanDerWaalsContact O-CB 3.25Å; I317-C321 WeakPolarHBondContact O-CB 3.21Å; I317-C321 PolarHBondContact O-N 3.5Å; I317-L326 HydrophobicContact CG1-CB 4.24Å; I317-W327 HydrophobicContact CD1-CD2 4.15Å; I317-W327 HydrophobicContact CD1-CE3 3.73Å; I317-W327 HydrophobicContact CD1-CH2 4.5Å; I317-W327 HydrophobicContact CD1-CZ3 3.92Å; I317-W327 HydrophobicContact CG1-CD2 4.37Å; I317-W327 HydrophobicContact CG1-CE3 4.39Å; I317-W327 HydrophobicContact CG2-CD2 4.42Å; I317-W327 HydrophobicContact CG2-CE3 4.32Å; I317-W327 HydrophobicContact CG2-CH2 3.22Å; I317-W327 HydrophobicContact CG2-CZ2 3.31Å; I317-W327 HydrophobicContact CG2-CZ3 3.75Å; I317-Y330 HydrophobicContact CD1-CD1 3.48Å; I317-Y330 VanDerWaalsContact CD1-CD1 3.48Å; I317-Y330 HydrophobicContact CD1-CE1 4.23Å; I317-Y330 HydrophobicContact CD1-CG 4.32Å |
| 318 | T | 96.4 | Very high | 96.8 | Very high | 28 Ų | 28 | 22.7 Ų | 22.7 | 17% | 0.172 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.5 | -34.4 | 176 | -63.6 | 0 | 0 | 0 | 0 | 111 | P71 D107 E314 R315 | P71-T318 HydrophobicContact CG-CG2 4.08Å; D107-T318 HydrophobicContact CB-CG2 4.03Å; E314-T318 WeakPolarHBondContact O-CB 3.47Å; E314-T318 PolarHBondContact O-N 3.47Å; E314-T318 PolarHBondContact O-OG1 3.32Å; R315-T318 PolarHBondContact O-N 3.24Å |
| 319 | A | 94.8 | Very high | 96.9 | Very high | 59 Ų | 59 | 23.6 Ų | 23.6 | 49% | 0.488 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -75.5 | -41.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | R315 A316 I317 | R315-A319 PolarHBondContact O-N 3.16Å; R315-A319 VanDerWaalsContact O-N 3.16Å; A316-A319 PolarHBondContact O-N 3.05Å; I317-A319 PolarHBondContact O-N 2.91Å |
| 320 | H | 95.7 | Very high | 97 | Very high | 20 Ų | 20 | 23.8 Ų | 23.8 | 9% | 0.093 | 14% | 0.135 | C | C | . | . | trans | -131.5 | 58.4 | -172.9 | -60.6 | -72.2 | 0 | 0 | 0 | 112.4 | E261 T264 V265 W268 A316 I317 L322 D323 L326 | E261-H320 IonicContact OE1-ND1 3.68Å; T264-H320 WeakPolarHBondContact CG2-NE2 3.44Å; V265-H320 HydrophobicContact CG2-CB 4.08Å; W268-H320 AromaticContact CD1-CD2 3.48Å; W268-H320 VanDerWaalsContact CD1-CD2 3.48Å; W268-H320 AromaticContact CD1-NE2 3.63Å; W268-H320 AromaticContact NE1-CD2 3.63Å; W268-H320 AromaticContact NE1-NE2 3.66Å; A316-H320 PolarHBondContact O-N 3.37Å; I317-H320 CarbonylContact O-C 3.21Å; I317-H320 PolarHBondContact O-N 2.66Å; H320-L322 PolarHBondContact O-N 3.06Å; H320-L322 VanDerWaalsContact O-N 3.11Å; H320-D323 PolarHBondContact O-N 2.63Å; H320-D323 VanDerWaalsContact O-N 3.16Å; H320-L326 HydrophobicContact CB-CD1 3.97Å | ||
| 321 | C | 95.5 | Very high | 97 | Very high | 24 Ų | 24 | 23.4 Ų | 23.4 | 16% | 0.162 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -17.1 | -173.4 | 58.8 | 0 | 0 | 0 | 0 | 115 | Y105 I317 W327 | Y105-C321 HydrophobicContact CE1-CB 3.56Å; I317-C321 WeakPolarHBondContact O-CA 3.36Å; I317-C321 VanDerWaalsContact O-CB 3.25Å; I317-C321 WeakPolarHBondContact O-CB 3.21Å; I317-C321 PolarHBondContact O-N 3.5Å; C321-W327 HydrophobicContact CB-CZ2 4.48Å; C321-W327 PolarHBondContact O-NE1 3.3Å |
| 322 | L | 95.8 | Very high | 97 | Very high | 102 Ų | 102 | 26.6 Ų | 26.6 | 53% | 0.534 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -6.4 | -180 | -53.7 | -176.8 | 0 | 0 | 0 | 113.2 | H320 T324 C356 W358 | H320-L322 PolarHBondContact O-N 3.06Å; H320-L322 VanDerWaalsContact O-N 3.11Å; L322-T324 PolarHBondContact O-N 3.36Å; L322-C356 PolarHBondContact O-SG 3.28Å; L322-W358 HydrophobicContact CD2-CH2 4.27Å |
| 323 | D | 96.1 | Very high | 96.9 | Very high | 39 Ų | 39 | 26.8 Ų | 26.8 | 21% | 0.209 | 15% | 0.15 | C | C | . | . | trans | -79.9 | 106.9 | 174.7 | -177.2 | 21.4 | 0 | 0 | 0 | 111 | H320 S325 L326 W327 | H320-D323 PolarHBondContact O-N 2.63Å; H320-D323 VanDerWaalsContact O-N 3.16Å; D323-S325 PolarHBondContact O-N 3.48Å; D323-S325 VanDerWaalsContact O-N 3.16Å; D323-S325 WeakPolarHBondContact OD1-CB 3.5Å; D323-S325 PolarHBondContact OD1-N 3.49Å; D323-S325 PolarHBondContact OD1-OG 2.7Å; D323-S325 PolarHBondContact OD2-OG 3.37Å; D323-L326 HydrophobicContact CB-CD1 4.17Å; D323-L326 HydrophobicContact CB-CG 4.28Å; D323-L326 PolarHBondContact O-N 3.04Å; D323-L326 WeakPolarHBondContact OD2-CG 3.35Å; D323-W327 VanDerWaalsContact O-CD1 3.25Å | ||
| 324 | T | 97 | Very high | 96.7 | Very high | 38 Ų | 38 | 26.8 Ų | 26.8 | 23% | 0.233 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.2 | -28.8 | 177.2 | 56.2 | 0 | 0 | 0 | 0 | 113.2 | L322 W327 I328 C356 C359 | L322-T324 PolarHBondContact O-N 3.36Å; T324-W327 PolarHBondContact O-N 2.8Å; T324-I328 WeakPolarHBondContact O-CG1 3.32Å; T324-I328 PolarHBondContact O-N 2.88Å; T324-I328 VanDerWaalsContact O-N 3.13Å; T324-C356 HydrophobicContact CG2-CB 3.75Å; T324-C359 HydrophobicContact CG2-CB 3.79Å |
| 325 | S | 96.5 | Very high | 96.6 | Very high | 44 Ų | 44 | 29.9 Ų | 29.9 | 31% | 0.308 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -67.3 | -39.3 | -176.4 | 93.2 | 0 | 0 | 0 | 0 | 112 | D323 I328 R329 | D323-S325 PolarHBondContact O-N 3.48Å; D323-S325 VanDerWaalsContact O-N 3.16Å; D323-S325 WeakPolarHBondContact OD1-CB 3.5Å; D323-S325 PolarHBondContact OD1-N 3.49Å; D323-S325 PolarHBondContact OD1-OG 2.7Å; D323-S325 PolarHBondContact OD2-OG 3.37Å; S325-I328 PolarHBondContact O-N 3.06Å; S325-R329 WeakPolarHBondContact O-CB 3.28Å; S325-R329 VanDerWaalsContact O-CG 3.24Å; S325-R329 WeakPolarHBondContact O-CG 3.46Å; S325-R329 PolarHBondContact O-N 3.44Å |
| 326 | L | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.7 | -46.6 | 177.4 | -69.4 | 175.6 | 0 | 0 | 0 | 111.5 | I272 A316 I317 H320 D323 I328 R329 Y330 | I272-L326 HydrophobicContact CD1-CD2 3.65Å; A316-L326 HydrophobicContact CB-CD1 4.3Å; A316-L326 HydrophobicContact CB-CD2 4.42Å; I317-L326 HydrophobicContact CG1-CB 4.24Å; H320-L326 HydrophobicContact CB-CD1 3.97Å; D323-L326 HydrophobicContact CB-CD1 4.17Å; D323-L326 HydrophobicContact CB-CG 4.28Å; D323-L326 PolarHBondContact O-N 3.04Å; D323-L326 WeakPolarHBondContact OD2-CG 3.35Å; L326-I328 PolarHBondContact O-N 3.48Å; L326-R329 PolarHBondContact O-N 2.85Å; L326-Y330 WeakPolarHBondContact O-CB 3.33Å; L326-Y330 PolarHBondContact O-N 3.39Å |
| 327 | W | 98.2 | Very high | 95.9 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 0% | 0.004 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.2 | -45.6 | 177.9 | -66.4 | 106.6 | 0 | 0 | 0 | 112.6 | I317 C321 D323 T324 Y330 A331 L348 R351 S352 N355 L362 | I317-W327 HydrophobicContact CD1-CD2 4.15Å; I317-W327 HydrophobicContact CD1-CE3 3.73Å; I317-W327 HydrophobicContact CD1-CH2 4.5Å; I317-W327 HydrophobicContact CD1-CZ3 3.92Å; I317-W327 HydrophobicContact CG1-CD2 4.37Å; I317-W327 HydrophobicContact CG1-CE3 4.39Å; I317-W327 HydrophobicContact CG2-CD2 4.42Å; I317-W327 HydrophobicContact CG2-CE3 4.32Å; I317-W327 HydrophobicContact CG2-CH2 3.22Å; I317-W327 HydrophobicContact CG2-CZ2 3.31Å; I317-W327 HydrophobicContact CG2-CZ3 3.75Å; C321-W327 HydrophobicContact CB-CZ2 4.48Å; C321-W327 PolarHBondContact O-NE1 3.3Å; D323-W327 VanDerWaalsContact O-CD1 3.25Å; T324-W327 PolarHBondContact O-N 2.8Å; W327-Y330 PolarHBondContact O-N 3.19Å; W327-A331 WeakPolarHBondContact O-CB 3.47Å; W327-A331 PolarHBondContact O-N 3.49Å; W327-L348 HydrophobicContact CE3-CD1 3.52Å; W327-L348 HydrophobicContact CZ3-CD1 3.6Å; W327-R351 HydrophobicContact CH2-CB 4Å; W327-R351 HydrophobicContact CZ3-CB 4.11Å; W327-S352 VanDerWaalsContact CD2-CB 3.47Å; W327-N355 HydrophobicContact CZ2-CB 3.98Å; W327-L362 HydrophobicContact CB-CD1 4.12Å; W327-L362 HydrophobicContact CB-CD2 3.97Å |
| 328 | I | 98.2 | Very high | 95.5 | Very high | 29 Ų | 29 | 36.5 Ų | 36.5 | 15% | 0.149 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.6 | -45 | 179 | -67.1 | 167.9 | 0 | 0 | 0 | 110.3 | T324 S325 L326 Y330 A331 D332 L362 | T324-I328 WeakPolarHBondContact O-CG1 3.32Å; T324-I328 PolarHBondContact O-N 2.88Å; T324-I328 VanDerWaalsContact O-N 3.13Å; S325-I328 PolarHBondContact O-N 3.06Å; L326-I328 PolarHBondContact O-N 3.48Å; I328-Y330 VanDerWaalsContact C-N 3.31Å; I328-Y330 PolarHBondContact O-N 3.48Å; I328-A331 PolarHBondContact O-N 2.93Å; I328-D332 WeakPolarHBondContact O-CB 3.33Å; I328-D332 PolarHBondContact O-N 3.24Å; I328-L362 HydrophobicContact CG1-CD2 3.84Å; I328-L362 HydrophobicContact CG1-CG 4.42Å |
| 329 | R | 97.4 | Very high | 95 | Very high | 52 Ų | 52 | 39.2 Ų | 39.2 | 20% | 0.196 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.8 | -38.3 | 177.8 | -73.2 | 178.9 | 68.9 | 177.1 | 1.6 | 112.1 | N269 I272 D273 F313 S325 L326 Y333 | N269-R329 PolarHBondContact O-NH1 3.19Å; N269-R329 PolarHBondContact OD1-NH1 2.89Å; I272-R329 VanDerWaalsContact CG2-NH2 3.31Å; D273-R329 VanDerWaalsContact CG-NH2 3.26Å; D273-R329 IonicContact OD1-CZ 3.72Å; D273-R329 IonicContact OD1-NH1 3.72Å; D273-R329 IonicContact OD1-NH2 3.53Å; D273-R329 PolarHBondContact OD1-NH2 3.36Å; D273-R329 IonicContact OD2-NH1 3.75Å; D273-R329 IonicContact OD2-NH2 2.78Å; F313-R329 HydrophobicContact CE1-CB 4.07Å; F313-R329 HydrophobicContact CZ-CB 4.46Å; S325-R329 WeakPolarHBondContact O-CB 3.28Å; S325-R329 VanDerWaalsContact O-CG 3.24Å; S325-R329 WeakPolarHBondContact O-CG 3.46Å; S325-R329 PolarHBondContact O-N 3.44Å; L326-R329 PolarHBondContact O-N 2.85Å; R329-Y333 PolarHBondContact O-N 3.08Å |
| 330 | Y | 97.8 | Very high | 94.7 | Very high | 5 Ų | 5 | 42.6 Ų | 42.6 | 2% | 0.02 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.8 | -44.2 | 176.7 | -171.8 | -161.8 | 0 | 0 | 0 | 111.3 | C310 F313 E314 I317 L326 W327 I328 D332 Y333 V334 L348 | C310-Y330 HydrophobicContact CB-CE2 4.36Å; F313-Y330 HydrophobicContact CB-CD1 3.86Å; F313-Y330 HydrophobicContact CB-CD2 3.72Å; F313-Y330 HydrophobicContact CB-CE1 4.1Å; F313-Y330 HydrophobicContact CB-CE2 3.97Å; F313-Y330 HydrophobicContact CB-CG 3.69Å; F313-Y330 HydrophobicContact CD1-CD2 4.29Å; F313-Y330 HydrophobicContact CD1-CG 4.04Å; F313-Y330 AromaticContact CD2-CD2 3.49Å; F313-Y330 HydrophobicContact CD2-CD2 3.49Å; F313-Y330 VanDerWaalsContact CD2-CD2 3.49Å; F313-Y330 HydrophobicContact CD2-CE2 4.02Å; F313-Y330 HydrophobicContact CD2-CG 4.09Å; F313-Y330 HydrophobicContact CE2-CD2 4.12Å; F313-Y330 HydrophobicContact CG-CD1 4.37Å; F313-Y330 AromaticContact CG-CD2 3.6Å; F313-Y330 HydrophobicContact CG-CD2 3.6Å; F313-Y330 HydrophobicContact CG-CE2 4.23Å; F313-Y330 AromaticContact CG-CG 3.71Å; F313-Y330 HydrophobicContact CG-CG 3.71Å; E314-Y330 HydrophobicContact CG-CE1 4.29Å; E314-Y330 VanDerWaalsContact OE1-CE1 3.25Å; E314-Y330 WeakPolarHBondContact OE1-CE1 3.41Å; E314-Y330 PolarHBondContact OE1-OH 3.43Å; I317-Y330 HydrophobicContact CD1-CD1 3.48Å; I317-Y330 VanDerWaalsContact CD1-CD1 3.48Å; I317-Y330 HydrophobicContact CD1-CE1 4.23Å; I317-Y330 HydrophobicContact CD1-CG 4.32Å; L326-Y330 WeakPolarHBondContact O-CB 3.33Å; L326-Y330 PolarHBondContact O-N 3.39Å; W327-Y330 PolarHBondContact O-N 3.19Å; I328-Y330 VanDerWaalsContact C-N 3.31Å; I328-Y330 PolarHBondContact O-N 3.48Å; Y330-D332 PolarHBondContact O-N 3.34Å; Y330-Y333 WeakPolarHBondContact O-CB 3.41Å; Y330-Y333 PolarHBondContact O-N 2.9Å; Y330-Y333 VanDerWaalsContact O-N 3.13Å; Y330-V334 HydrophobicContact CD2-CG2 3.83Å; Y330-V334 HydrophobicContact CE2-CG2 3.57Å; Y330-V334 WeakPolarHBondContact O-CG2 3.32Å; Y330-V334 PolarHBondContact O-N 3.31Å; Y330-L348 HydrophobicContact CD1-CD1 3.25Å; Y330-L348 HydrophobicContact CD1-CD2 3.56Å; Y330-L348 HydrophobicContact CD1-CG 4.04Å; Y330-L348 HydrophobicContact CD2-CD2 4.15Å; Y330-L348 HydrophobicContact CE1-CD1 3.57Å; Y330-L348 HydrophobicContact CE1-CD2 3.88Å; Y330-L348 HydrophobicContact CE1-CG 4.28Å; Y330-L348 HydrophobicContact CE2-CD2 4.43Å; Y330-L348 HydrophobicContact CG-CD1 4.15Å; Y330-L348 HydrophobicContact CG-CD2 3.69Å |
| 331 | A | 97.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59 | -45.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | W327 I328 Y333 V334 E335 L345 L348 L349 | W327-A331 WeakPolarHBondContact O-CB 3.47Å; W327-A331 PolarHBondContact O-N 3.49Å; I328-A331 PolarHBondContact O-N 2.93Å; A331-Y333 VanDerWaalsContact C-N 3.26Å; A331-Y333 PolarHBondContact O-N 3.34Å; A331-V334 PolarHBondContact O-N 3.16Å; A331-E335 VanDerWaalsContact O-CB 3.31Å; A331-E335 WeakPolarHBondContact O-CB 3.18Å; A331-E335 WeakPolarHBondContact O-CG 3Å; A331-E335 PolarHBondContact O-N 3.14Å; A331-L345 HydrophobicContact CB-CD1 4.1Å; A331-L348 HydrophobicContact CB-CD2 4.34Å; A331-L349 HydrophobicContact CB-CD2 4.08Å |
| 332 | D | 96.3 | Very high | 94.3 | Very high | 71 Ų | 71 | 44 Ų | 44 | 38% | 0.38 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -57 | -39.1 | 174.3 | -79.6 | -18.2 | 0 | 0 | 0 | 112.5 | I328 Y330 S336 R365 | I328-D332 WeakPolarHBondContact O-CB 3.33Å; I328-D332 PolarHBondContact O-N 3.24Å; Y330-D332 PolarHBondContact O-N 3.34Å; D332-S336 VanDerWaalsContact O-CB 3.24Å; D332-S336 WeakPolarHBondContact O-CB 3.41Å; D332-S336 PolarHBondContact O-N 3.42Å; D332-S336 VanDerWaalsContact O-N 3.13Å; D332-S336 PolarHBondContact O-OG 2.89Å; D332-R365 IonicContact OD1-CZ 3.27Å; D332-R365 IonicContact OD1-NH1 3.88Å; D332-R365 PolarHBondContact OD1-NH1 2.94Å; D332-R365 IonicContact OD1-NH2 2.77Å; D332-R365 PolarHBondContact OD1-NH2 3.36Å |
| 333 | Y | 94.9 | Very high | 94.3 | Very high | 12 Ų | 12 | 43.7 Ų | 43.7 | 5% | 0.047 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.4 | -51.5 | 177.6 | 175.2 | -101.6 | 0 | 0 | 0 | 111.4 | A279 P306 L309 F313 R329 Y330 A331 E335 S336 Q337 L338 | A279-Y333 HydrophobicContact CB-CE2 4.47Å; P306-Y333 WeakPolarHBondContact CA-OH 3.29Å; P306-Y333 WeakPolarHBondContact CB-OH 3.4Å; L309-Y333 HydrophobicContact CB-CE1 4.43Å; L309-Y333 HydrophobicContact CD2-CD1 4.46Å; L309-Y333 HydrophobicContact CD2-CD2 3.67Å; L309-Y333 HydrophobicContact CD2-CE1 4.14Å; L309-Y333 HydrophobicContact CD2-CE2 3.26Å; L309-Y333 HydrophobicContact CD2-CG 4.26Å; L309-Y333 HydrophobicContact CG-CD1 4.49Å; L309-Y333 HydrophobicContact CG-CD2 4.49Å; L309-Y333 HydrophobicContact CG-CE1 4.2Å; L309-Y333 HydrophobicContact CG-CE2 4.2Å; F313-Y333 HydrophobicContact CE2-CD1 4.23Å; F313-Y333 HydrophobicContact CE2-CG 4.03Å; R329-Y333 PolarHBondContact O-N 3.08Å; Y330-Y333 WeakPolarHBondContact O-CB 3.41Å; Y330-Y333 PolarHBondContact O-N 2.9Å; Y330-Y333 VanDerWaalsContact O-N 3.13Å; A331-Y333 VanDerWaalsContact C-N 3.26Å; A331-Y333 PolarHBondContact O-N 3.34Å; Y333-E335 PolarHBondContact O-N 3.46Å; Y333-S336 PolarHBondContact O-N 3.31Å; Y333-S336 PolarHBondContact O-OG 2.9Å; Y333-Q337 HydrophobicContact CD2-CB 4.24Å; Y333-Q337 HydrophobicContact CD2-CG 3.7Å; Y333-Q337 HydrophobicContact CE2-CB 3.79Å; Y333-Q337 HydrophobicContact CE2-CG 3.44Å; Y333-Q337 VanDerWaalsContact CE2-CG 3.44Å; Y333-Q337 WeakPolarHBondContact O-CB 3.3Å; Y333-Q337 PolarHBondContact O-N 3.49Å; Y333-L338 HydrophobicContact CE1-CD1 4.29Å |
| 334 | V | 95.2 | Very high | 94.2 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.1 | -45.7 | -179.9 | 179.1 | 0 | 0 | 0 | 0 | 110.3 | Y330 A331 S336 L338 R344 L345 L348 | Y330-V334 HydrophobicContact CD2-CG2 3.83Å; Y330-V334 HydrophobicContact CE2-CG2 3.57Å; Y330-V334 WeakPolarHBondContact O-CG2 3.32Å; Y330-V334 PolarHBondContact O-N 3.31Å; A331-V334 PolarHBondContact O-N 3.16Å; V334-S336 VanDerWaalsContact C-N 3.27Å; V334-S336 PolarHBondContact O-N 2.81Å; V334-L338 HydrophobicContact CG1-CB 4.18Å; V334-L338 CarbonylContact O-C 3.56Å; V334-L338 VanDerWaalsContact O-CA 3.3Å; V334-L338 WeakPolarHBondContact O-CA 3.28Å; V334-L338 WeakPolarHBondContact O-CB 3.34Å; V334-L338 PolarHBondContact O-N 3.39Å; V334-R344 HydrophobicContact CG1-CG 4.47Å; V334-L345 HydrophobicContact CB-CD1 4.22Å; V334-L345 HydrophobicContact CG1-CB 3.8Å; V334-L345 HydrophobicContact CG1-CD1 4.25Å; V334-L348 HydrophobicContact CG2-CD2 4.09Å |
| 335 | E | 94.1 | Very high | 94.3 | Very high | 69 Ų | 69 | 44.3 Ų | 44.3 | 32% | 0.322 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.4 | -32.8 | 177.4 | -77.9 | 177.4 | 170.4 | 0 | 0 | 113.5 | A331 Y333 E339 L345 R365 | A331-E335 VanDerWaalsContact O-CB 3.31Å; A331-E335 WeakPolarHBondContact O-CB 3.18Å; A331-E335 WeakPolarHBondContact O-CG 3Å; A331-E335 PolarHBondContact O-N 3.14Å; Y333-E335 PolarHBondContact O-N 3.46Å; E335-E339 VanDerWaalsContact O-CG 3.23Å; E335-E339 WeakPolarHBondContact O-CG 3.34Å; E335-L345 HydrophobicContact CG-CD1 3.91Å; E335-L345 HydrophobicContact CG-CD2 3.3Å; E335-L345 HydrophobicContact CG-CG 4.25Å; E335-R365 IonicContact OE1-NH1 2.72Å; E335-R365 IonicContact OE2-CZ 3.66Å; E335-R365 IonicContact OE2-NH1 3.77Å; E335-R365 PolarHBondContact OE2-NH1 3.08Å |
| 336 | S | 91.8 | Very high | 94.3 | Very high | 53 Ų | 53 | 43.4 Ų | 43.4 | 37% | 0.371 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -99 | -26 | -174.1 | 68.7 | 0 | 0 | 0 | 0 | 114.9 | D332 Y333 V334 | D332-S336 VanDerWaalsContact O-CB 3.24Å; D332-S336 WeakPolarHBondContact O-CB 3.41Å; D332-S336 PolarHBondContact O-N 3.42Å; D332-S336 VanDerWaalsContact O-N 3.13Å; D332-S336 PolarHBondContact O-OG 2.89Å; Y333-S336 PolarHBondContact O-N 3.31Å; Y333-S336 PolarHBondContact O-OG 2.9Å; V334-S336 VanDerWaalsContact C-N 3.27Å; V334-S336 PolarHBondContact O-N 2.81Å |
| 337 | Q | 88.5 | Confident | 94.3 | Very high | 91 Ų | 91 | 49 Ų | 49 | 43% | 0.425 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -113.4 | -22.6 | -175.8 | -56 | -49.7 | -59.4 | 0 | 0 | 113.2 | Y333 | Y333-Q337 HydrophobicContact CD2-CB 4.24Å; Y333-Q337 HydrophobicContact CD2-CG 3.7Å; Y333-Q337 HydrophobicContact CE2-CB 3.79Å; Y333-Q337 HydrophobicContact CE2-CG 3.44Å; Y333-Q337 VanDerWaalsContact CE2-CG 3.44Å; Y333-Q337 WeakPolarHBondContact O-CB 3.3Å; Y333-Q337 PolarHBondContact O-N 3.49Å |
| 338 | L | 89.5 | Confident | 94.2 | Very high | 29 Ų | 29 | 49.1 Ų | 49.1 | 15% | 0.152 | 25% | 0.246 | C | C | . | . | trans | -124.1 | 42.8 | -177.1 | -60.8 | 178.6 | 0 | 0 | 0 | 111.2 | P306 Y333 V334 T340 D341 | P306-L338 HydrophobicContact CB-CD1 4.48Å; P306-L338 HydrophobicContact CB-CD2 3.86Å; P306-L338 HydrophobicContact CG-CD2 4.34Å; Y333-L338 HydrophobicContact CE1-CD1 4.29Å; V334-L338 HydrophobicContact CG1-CB 4.18Å; V334-L338 CarbonylContact O-C 3.56Å; V334-L338 VanDerWaalsContact O-CA 3.3Å; V334-L338 WeakPolarHBondContact O-CA 3.28Å; V334-L338 WeakPolarHBondContact O-CB 3.34Å; V334-L338 PolarHBondContact O-N 3.39Å; L338-T340 PolarHBondContact O-N 3.46Å; L338-D341 PolarHBondContact O-N 3.24Å | ||
| 339 | E | 86.4 | Confident | 94.3 | Very high | 85 Ų | 85 | 47.8 Ų | 47.8 | 40% | 0.397 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -23.3 | -175.1 | -67.4 | 175.8 | 179.1 | 0 | 0 | 115.1 | E335 Q862 | E335-E339 VanDerWaalsContact O-CG 3.23Å; E335-E339 WeakPolarHBondContact O-CG 3.34Å; E339-Q862 PolarHBondContact OE1-NE2 3.1Å; E339-Q862 PolarHBondContact OE2-NE2 3Å; E339-Q862 PolarHBondContact OE2-OE1 3.35Å |
| 340 | T | 87.7 | Confident | 94.3 | Very high | 129 Ų | 129 | 47.1 Ų | 47.1 | 79% | 0.791 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -16 | 178.9 | 54.8 | 0 | 0 | 0 | 0 | 114.1 | L338 V342 | L338-T340 PolarHBondContact O-N 3.46Å; T340-V342 PolarHBondContact O-N 3.46Å |
| 341 | D | 90.4 | Very high | 94.2 | Very high | 54 Ų | 54 | 48.1 Ų | 48.1 | 29% | 0.289 | 25% | 0.247 | S | C | . | . | trans | -101.6 | 61.8 | -176.5 | -165.4 | -4.7 | 0 | 0 | 0 | 110.8 | L338 L343 R344 L345 | L338-D341 PolarHBondContact O-N 3.24Å; D341-L343 PolarHBondContact O-N 3.3Å; D341-R344 HydrophobicContact CB-CB 4.31Å; D341-R344 PolarHBondContact O-N 3.37Å; D341-R344 WeakPolarHBondContact OD1-CB 3.45Å; D341-R344 PolarHBondContact OD1-N 2.94Å; D341-R344 VanDerWaalsContact OD1-N 3.15Å; D341-R344 WeakPolarHBondContact OD2-CB 3.49Å; D341-R344 IonicContact OD2-CZ 3.76Å; D341-R344 IonicContact OD2-NE 3.38Å; D341-R344 PolarHBondContact OD2-NE 2.88Å; D341-L345 PolarHBondContact O-N 3.35Å | ||
| 342 | V | 93.8 | Very high | 94.3 | Very high | 20 Ų | 20 | 48.1 Ų | 48.1 | 12% | 0.121 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.4 | -30.5 | -178.2 | -171.4 | 0 | 0 | 0 | 0 | 111.2 | T340 L345 Q346 V369 T372 V373 | T340-V342 PolarHBondContact O-N 3.46Å; V342-L345 WeakPolarHBondContact O-CB 3.39Å; V342-L345 PolarHBondContact O-N 3.03Å; V342-Q346 PolarHBondContact O-N 3.26Å; V342-V369 HydrophobicContact CG1-CG1 3.83Å; V342-T372 HydrophobicContact CG1-CG2 4.2Å; V342-V373 HydrophobicContact CB-CG2 4.32Å; V342-V373 HydrophobicContact CG1-CG2 3.57Å |
| 343 | L | 94.8 | Very high | 94.3 | Very high | 96 Ų | 96 | 44.9 Ų | 44.9 | 50% | 0.503 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.9 | -41.6 | 178.5 | -175.4 | 63.3 | 0 | 0 | 0 | 112 | D341 L345 Q346 K347 | D341-L343 PolarHBondContact O-N 3.3Å; L343-L345 VanDerWaalsContact C-N 3.31Å; L343-L345 PolarHBondContact O-N 3.3Å; L343-Q346 PolarHBondContact O-N 3.49Å; L343-K347 WeakPolarHBondContact O-CG 3.47Å; L343-K347 PolarHBondContact O-N 3.47Å |
| 344 | R | 95.3 | Very high | 94.4 | Very high | 76 Ų | 76 | 48.3 Ų | 48.3 | 29% | 0.287 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.1 | -45.6 | 172.3 | 176 | 174.9 | -70.9 | -174 | -3.8 | 111.2 | C310 V334 D341 Q346 K347 L348 | C310-R344 PolarHBondContact SG-NH1 3.15Å; V334-R344 HydrophobicContact CG1-CG 4.47Å; D341-R344 HydrophobicContact CB-CB 4.31Å; D341-R344 PolarHBondContact O-N 3.37Å; D341-R344 WeakPolarHBondContact OD1-CB 3.45Å; D341-R344 PolarHBondContact OD1-N 2.94Å; D341-R344 VanDerWaalsContact OD1-N 3.15Å; D341-R344 WeakPolarHBondContact OD2-CB 3.49Å; D341-R344 IonicContact OD2-CZ 3.76Å; D341-R344 IonicContact OD2-NE 3.38Å; D341-R344 PolarHBondContact OD2-NE 2.88Å; R344-Q346 VanDerWaalsContact C-N 3.33Å; R344-Q346 PolarHBondContact O-N 2.69Å; R344-K347 PolarHBondContact O-N 3.41Å; R344-L348 VanDerWaalsContact O-CB 3.29Å; R344-L348 WeakPolarHBondContact O-CB 3.46Å; R344-L348 PolarHBondContact O-N 3.31Å |
| 345 | L | 97.1 | Very high | 94.4 | Very high | 13 Ų | 13 | 48.8 Ų | 48.8 | 7% | 0.068 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.2 | -40.5 | 177.3 | -178.2 | 61.9 | 0 | 0 | 0 | 112.1 | A331 V334 E335 D341 V342 L343 L348 L349 V369 | A331-L345 HydrophobicContact CB-CD1 4.1Å; V334-L345 HydrophobicContact CB-CD1 4.22Å; V334-L345 HydrophobicContact CG1-CB 3.8Å; V334-L345 HydrophobicContact CG1-CD1 4.25Å; E335-L345 HydrophobicContact CG-CD1 3.91Å; E335-L345 HydrophobicContact CG-CD2 3.3Å; E335-L345 HydrophobicContact CG-CG 4.25Å; D341-L345 PolarHBondContact O-N 3.35Å; V342-L345 WeakPolarHBondContact O-CB 3.39Å; V342-L345 PolarHBondContact O-N 3.03Å; L343-L345 VanDerWaalsContact C-N 3.31Å; L343-L345 PolarHBondContact O-N 3.3Å; L345-L348 HydrophobicContact CD1-CD2 4.38Å; L345-L348 PolarHBondContact O-N 2.81Å; L345-L349 HydrophobicContact CD1-CD1 3.81Å; L345-L349 HydrophobicContact CD1-CG 4.13Å; L345-L349 HydrophobicContact CG-CD1 3.82Å; L345-L349 HydrophobicContact CG-CG 4.5Å; L345-L349 WeakPolarHBondContact O-CB 3.42Å; L345-L349 WeakPolarHBondContact O-CG 3.41Å; L345-L349 PolarHBondContact O-N 3.35Å; L345-V369 HydrophobicContact CB-CG1 4.3Å; L345-V369 HydrophobicContact CD2-CB 4.48Å; L345-V369 HydrophobicContact CD2-CG1 4.16Å; L345-V369 HydrophobicContact CD2-CG2 3.45Å; L345-V369 VanDerWaalsContact CD2-CG2 3.45Å; L345-V369 HydrophobicContact CG-CG1 4.08Å; L345-V369 HydrophobicContact CG-CG2 3.85Å |
| 346 | Q | 97.8 | Very high | 94.5 | Very high | 25 Ų | 25 | 45.5 Ų | 45.5 | 12% | 0.117 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.2 | -47.8 | 177.5 | -167.9 | -172.2 | 15.2 | 0 | 0 | 111.4 | V342 L343 R344 L349 S350 Y366 V369 T370 V373 | V342-Q346 PolarHBondContact O-N 3.26Å; L343-Q346 PolarHBondContact O-N 3.49Å; R344-Q346 VanDerWaalsContact C-N 3.33Å; R344-Q346 PolarHBondContact O-N 2.69Å; Q346-L349 PolarHBondContact O-N 2.92Å; Q346-S350 WeakPolarHBondContact O-CB 3.42Å; Q346-S350 PolarHBondContact O-N 3.39Å; Q346-Y366 HydrophobicContact CG-CE2 4.18Å; Q346-V369 HydrophobicContact CB-CG1 3.76Å; Q346-V369 HydrophobicContact CG-CG1 4.32Å; Q346-T370 PolarHBondContact NE2-OG1 3.48Å; Q346-V373 HydrophobicContact CB-CG2 4.4Å |
| 347 | K | 96.7 | Very high | 94.6 | Very high | 117 Ų | 117 | 44.9 Ų | 44.9 | 51% | 0.509 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.7 | -46.4 | 177.7 | -71.8 | -173.4 | 174.7 | -160.5 | 0 | 111.7 | L343 R344 L349 S350 R351 | L343-K347 WeakPolarHBondContact O-CG 3.47Å; L343-K347 PolarHBondContact O-N 3.47Å; R344-K347 PolarHBondContact O-N 3.41Å; K347-L349 PolarHBondContact O-N 3.02Å; K347-S350 PolarHBondContact O-N 3.46Å; K347-R351 WeakPolarHBondContact O-CG 3.21Å; K347-R351 PolarHBondContact O-N 3.3Å |
| 348 | L | 97.7 | Very high | 94.9 | Very high | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -54 | -51.1 | 174.4 | 168.4 | 58.1 | 0 | 0 | 0 | 111.3 | W327 Y330 A331 V334 R344 L345 S350 R351 S352 | W327-L348 HydrophobicContact CE3-CD1 3.52Å; W327-L348 HydrophobicContact CZ3-CD1 3.6Å; Y330-L348 HydrophobicContact CD1-CD1 3.25Å; Y330-L348 HydrophobicContact CD1-CD2 3.56Å; Y330-L348 HydrophobicContact CD1-CG 4.04Å; Y330-L348 HydrophobicContact CD2-CD2 4.15Å; Y330-L348 HydrophobicContact CE1-CD1 3.57Å; Y330-L348 HydrophobicContact CE1-CD2 3.88Å; Y330-L348 HydrophobicContact CE1-CG 4.28Å; Y330-L348 HydrophobicContact CE2-CD2 4.43Å; Y330-L348 HydrophobicContact CG-CD1 4.15Å; Y330-L348 HydrophobicContact CG-CD2 3.69Å; A331-L348 HydrophobicContact CB-CD2 4.34Å; V334-L348 HydrophobicContact CG2-CD2 4.09Å; R344-L348 VanDerWaalsContact O-CB 3.29Å; R344-L348 WeakPolarHBondContact O-CB 3.46Å; R344-L348 PolarHBondContact O-N 3.31Å; L345-L348 HydrophobicContact CD1-CD2 4.38Å; L345-L348 PolarHBondContact O-N 2.81Å; L348-S350 PolarHBondContact O-N 3.42Å; L348-R351 PolarHBondContact O-N 2.9Å; L348-S352 WeakPolarHBondContact O-CB 3.38Å; L348-S352 PolarHBondContact O-N 3.42Å |
| 349 | L | 98.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.9 | -37.6 | -177.8 | -73.7 | 167.6 | 0 | 0 | 0 | 112.1 | A331 L345 Q346 K347 R351 S352 V353 L362 R365 Y366 V369 | A331-L349 HydrophobicContact CB-CD2 4.08Å; L345-L349 HydrophobicContact CD1-CD1 3.81Å; L345-L349 HydrophobicContact CD1-CG 4.13Å; L345-L349 HydrophobicContact CG-CD1 3.82Å; L345-L349 HydrophobicContact CG-CG 4.5Å; L345-L349 WeakPolarHBondContact O-CB 3.42Å; L345-L349 WeakPolarHBondContact O-CG 3.41Å; L345-L349 PolarHBondContact O-N 3.35Å; Q346-L349 PolarHBondContact O-N 2.92Å; K347-L349 PolarHBondContact O-N 3.02Å; L349-R351 PolarHBondContact O-N 3.3Å; L349-S352 WeakPolarHBondContact CA-OG 3.34Å; L349-S352 PolarHBondContact O-N 3.45Å; L349-S352 PolarHBondContact O-OG 3.13Å; L349-V353 PolarHBondContact O-N 3.38Å; L349-V353 VanDerWaalsContact O-N 3.1Å; L349-L362 HydrophobicContact CD2-CD2 4.21Å; L349-R365 HydrophobicContact CD1-CB 3.83Å; L349-R365 HydrophobicContact CD2-CB 3.88Å; L349-Y366 HydrophobicContact CB-CD2 3.95Å; L349-Y366 HydrophobicContact CB-CG 4.2Å; L349-V369 HydrophobicContact CD1-CB 4.06Å; L349-V369 HydrophobicContact CD1-CG2 3.63Å |
| 350 | S | 97.6 | Very high | 95.8 | Very high | 39 Ų | 39 | 42.9 Ų | 42.9 | 27% | 0.273 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59.4 | -44.9 | 174 | -171.7 | 0 | 0 | 0 | 0 | 112.1 | Q346 K347 L348 V353 Y366 | Q346-S350 WeakPolarHBondContact O-CB 3.42Å; Q346-S350 PolarHBondContact O-N 3.39Å; K347-S350 PolarHBondContact O-N 3.46Å; L348-S350 PolarHBondContact O-N 3.42Å; S350-V353 VanDerWaalsContact O-CG2 3.24Å; S350-V353 WeakPolarHBondContact O-CG2 3.39Å; S350-Y366 PolarHBondContact OG-OH 3.33Å |
| 351 | R | 97.5 | Very high | 96.3 | Very high | 25 Ų | 25 | 40.4 Ų | 40.4 | 9% | 0.094 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.7 | -41.8 | 173.5 | -71.4 | 168.6 | 64.3 | -147.6 | -6.9 | 112 | D103 D104 E314 W327 K347 L348 L349 V353 R354 N355 | D103-R351 WeakPolarHBondContact O-CD 3.49Å; D103-R351 WeakPolarHBondContact O-CG 3.3Å; D103-R351 PolarHBondContact O-NE 2.94Å; D104-R351 PolarHBondContact O-NE 3.13Å; D104-R351 PolarHBondContact O-NH2 3.13Å; E314-R351 VanDerWaalsContact CD-NH1 3.28Å; E314-R351 IonicContact OE1-NH1 3.82Å; E314-R351 PolarHBondContact OE1-NH1 3.45Å; E314-R351 IonicContact OE2-CZ 2.75Å; E314-R351 IonicContact OE2-NH1 2.74Å; E314-R351 PolarHBondContact OE2-NH1 2.98Å; E314-R351 IonicContact OE2-NH2 3.57Å; E314-R351 PolarHBondContact OE2-NH2 2.98Å; W327-R351 HydrophobicContact CH2-CB 4Å; W327-R351 HydrophobicContact CZ3-CB 4.11Å; K347-R351 WeakPolarHBondContact O-CG 3.21Å; K347-R351 PolarHBondContact O-N 3.3Å; L348-R351 PolarHBondContact O-N 2.9Å; L349-R351 PolarHBondContact O-N 3.3Å; R351-V353 PolarHBondContact O-N 2.86Å; R351-R354 PolarHBondContact O-N 2.62Å; R351-N355 PolarHBondContact O-N 3.19Å; R351-N355 PolarHBondContact O-ND2 3.43Å |
| 352 | S | 98.2 | Very high | 96.7 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.007 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.8 | -37.6 | -175.1 | 75.2 | 0 | 0 | 0 | 0 | 113.2 | W327 L348 L349 N355 C356 | W327-S352 VanDerWaalsContact CD2-CB 3.47Å; L348-S352 WeakPolarHBondContact O-CB 3.38Å; L348-S352 PolarHBondContact O-N 3.42Å; L349-S352 WeakPolarHBondContact CA-OG 3.34Å; L349-S352 PolarHBondContact O-N 3.45Å; L349-S352 PolarHBondContact O-OG 3.13Å; S352-N355 PolarHBondContact O-N 2.92Å; S352-C356 WeakPolarHBondContact O-CB 3.41Å; S352-C356 PolarHBondContact O-N 3.29Å |
| 353 | V | 97.4 | Very high | 96.9 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.018 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -73.3 | -27 | 178.6 | -64 | 0 | 0 | 0 | 0 | 113 | L349 S350 R351 P357 L362 W363 Y366 | L349-V353 PolarHBondContact O-N 3.38Å; L349-V353 VanDerWaalsContact O-N 3.1Å; S350-V353 VanDerWaalsContact O-CG2 3.24Å; S350-V353 WeakPolarHBondContact O-CG2 3.39Å; R351-V353 PolarHBondContact O-N 2.86Å; V353-P357 VanDerWaalsContact O-CA 3.22Å; V353-P357 WeakPolarHBondContact O-CA 3.45Å; V353-P357 WeakPolarHBondContact O-CB 3.49Å; V353-L362 HydrophobicContact CG1-CB 3.84Å; V353-W363 HydrophobicContact CB-CD2 3.84Å; V353-W363 HydrophobicContact CB-CE3 3.88Å; V353-W363 HydrophobicContact CB-CH2 3.76Å; V353-W363 HydrophobicContact CB-CZ2 3.72Å; V353-W363 HydrophobicContact CB-CZ3 3.84Å; V353-W363 HydrophobicContact CG1-CD2 3.61Å; V353-W363 HydrophobicContact CG1-CE3 3.74Å; V353-W363 HydrophobicContact CG1-CG 4Å; V353-W363 HydrophobicContact CG1-CZ2 4.43Å; V353-W363 HydrophobicContact CG1-CZ3 4.21Å; V353-W363 HydrophobicContact CG2-CE3 4.12Å; V353-W363 HydrophobicContact CG2-CH2 3.81Å; V353-W363 HydrophobicContact CG2-CZ2 4.28Å; V353-W363 HydrophobicContact CG2-CZ3 3.72Å; V353-Y366 HydrophobicContact CG1-CD1 4.28Å; V353-Y366 HydrophobicContact CG2-CD1 3.78Å; V353-Y366 HydrophobicContact CG2-CE1 4.05Å |
| 354 | R | 95.8 | Very high | 97.1 | Very high | 84 Ų | 84 | 35.8 Ų | 35.8 | 32% | 0.317 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -72.5 | -31.9 | 173.3 | -69.4 | -176.1 | 67.8 | -144.9 | 1 | 112.3 | H64 P68 D104 R351 | H64-R354 PolarHBondContact O-NH2 3.49Å; P68-R354 HydrophobicContact CG-CB 3.67Å; D104-R354 IonicContact OD1-CZ 3.02Å; D104-R354 IonicContact OD1-NH1 2.7Å; D104-R354 PolarHBondContact OD1-NH1 2.98Å; D104-R354 IonicContact OD1-NH2 3.99Å; R351-R354 PolarHBondContact O-N 2.62Å |
| 355 | N | 96 | Very high | 97.2 | Very high | 10 Ų | 10 | 34 Ų | 34 | 5% | 0.053 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -80.1 | -44.2 | 175.7 | -83.6 | -73.7 | 0 | 0 | 0 | 112.9 | Y105 W327 R351 S352 P357 W358 | Y105-N355 PolarHBondContact OH-OD1 2.94Å; W327-N355 HydrophobicContact CZ2-CB 3.98Å; R351-N355 PolarHBondContact O-N 3.19Å; R351-N355 PolarHBondContact O-ND2 3.43Å; S352-N355 PolarHBondContact O-N 2.92Å; N355-P357 VanDerWaalsContact O-CD 3.29Å; N355-P357 WeakPolarHBondContact O-CD 3.24Å; N355-W358 WeakPolarHBondContact O-CH2 3.29Å |
| 356 | C | 96 | Very high | 97.3 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -123.3 | 61.2 | -173 | -66.8 | 0 | 0 | 0 | 0 | 111.9 | L322 T324 S352 W358 C359 L362 | L322-C356 PolarHBondContact O-SG 3.28Å; T324-C356 HydrophobicContact CG2-CB 3.75Å; S352-C356 WeakPolarHBondContact O-CB 3.41Å; S352-C356 PolarHBondContact O-N 3.29Å; C356-W358 HydrophobicContact CB-CZ2 4.17Å; C356-W358 PolarHBondContact O-N 3.32Å; C356-W358 VanDerWaalsContact O-N 3.12Å; C356-C359 HydrophobicContact CB-CB 4.37Å; C356-C359 WeakPolarHBondContact O-CB 3.25Å; C356-C359 PolarHBondContact O-N 3.35Å; C356-L362 HydrophobicContact CB-CD1 3.91Å | ||
| 357 | P | 95.1 | Very high | 97.3 | Very high | 41 Ų | 41 | 33.6 Ų | 33.6 | 27% | 0.266 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -19.2 | -174.7 | 26 | -35.9 | 0 | 0 | 0 | 113.7 | V353 N355 C359 W363 A412 F414 | V353-P357 VanDerWaalsContact O-CA 3.22Å; V353-P357 WeakPolarHBondContact O-CA 3.45Å; V353-P357 WeakPolarHBondContact O-CB 3.49Å; N355-P357 VanDerWaalsContact O-CD 3.29Å; N355-P357 WeakPolarHBondContact O-CD 3.24Å; P357-C359 PolarHBondContact O-N 3.09Å; P357-W363 HydrophobicContact CB-CZ2 4.29Å; P357-W363 PolarHBondContact O-NE1 3.39Å; P357-A412 HydrophobicContact CB-CB 4.24Å; P357-F414 WeakPolarHBondContact O-CE1 3.41Å |
| 358 | W | 94.7 | Very high | 97.4 | Very high | 136 Ų | 136 | 31.3 Ų | 31.3 | 52% | 0.515 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -9.1 | 174.9 | 55.4 | 85.5 | 0 | 0 | 0 | 113.7 | L322 N355 C356 V360 F414 | L322-W358 HydrophobicContact CD2-CH2 4.27Å; N355-W358 WeakPolarHBondContact O-CH2 3.29Å; C356-W358 HydrophobicContact CB-CZ2 4.17Å; C356-W358 PolarHBondContact O-N 3.32Å; C356-W358 VanDerWaalsContact O-N 3.12Å; W358-V360 PolarHBondContact O-N 3.4Å; W358-F414 WeakPolarHBondContact O-CD1 3.27Å; W358-F414 WeakPolarHBondContact O-CE1 3.48Å |
| 359 | C | 96.6 | Very high | 97.4 | Very high | 17 Ų | 17 | 31.6 Ų | 31.6 | 12% | 0.115 | 15% | 0.147 | C | C | . | . | trans | -91.4 | 103.6 | -176.7 | -168.4 | 0 | 0 | 0 | 0 | 112.2 | T324 C356 P357 E361 L362 W363 | T324-C359 HydrophobicContact CG2-CB 3.79Å; C356-C359 HydrophobicContact CB-CB 4.37Å; C356-C359 WeakPolarHBondContact O-CB 3.25Å; C356-C359 PolarHBondContact O-N 3.35Å; P357-C359 PolarHBondContact O-N 3.09Å; C359-E361 VanDerWaalsContact C-N 3.29Å; C359-E361 PolarHBondContact O-N 2.83Å; C359-L362 HydrophobicContact CB-CB 4.35Å; C359-L362 HydrophobicContact CB-CD1 3.79Å; C359-L362 HydrophobicContact CB-CG 4Å; C359-L362 PolarHBondContact O-N 2.87Å; C359-W363 VanDerWaalsContact O-CD1 3.23Å; C359-W363 PolarHBondContact O-N 3.36Å | ||
| 360 | V | 97.7 | Very high | 97.3 | Very high | 10 Ų | 10 | 31.6 Ų | 31.6 | 6% | 0.061 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -56.6 | -40.4 | 178.7 | 178 | 0 | 0 | 0 | 0 | 113.3 | W358 L362 W363 Q364 F414 D419 K422 I423 | W358-V360 PolarHBondContact O-N 3.4Å; V360-L362 VanDerWaalsContact C-N 3.31Å; V360-L362 PolarHBondContact O-N 3.22Å; V360-W363 PolarHBondContact O-N 3.16Å; V360-Q364 HydrophobicContact CG1-CG 4.1Å; V360-Q364 WeakPolarHBondContact O-CG 3.4Å; V360-Q364 PolarHBondContact O-N 3.3Å; V360-F414 HydrophobicContact CG2-CD1 3.9Å; V360-F414 HydrophobicContact CG2-CE1 3.67Å; V360-F414 HydrophobicContact CG2-CZ 4.16Å; V360-D419 HydrophobicContact CG2-CB 3.3Å; V360-K422 HydrophobicContact CG1-CB 3.73Å; V360-K422 HydrophobicContact CG1-CD 4.03Å; V360-I423 HydrophobicContact CB-CD1 4.5Å; V360-I423 HydrophobicContact CG1-CD1 3.78Å; V360-I423 HydrophobicContact CG1-CG1 4.15Å |
| 361 | E | 98 | Very high | 97.3 | Very high | 77 Ų | 77 | 30.1 Ų | 30.1 | 36% | 0.36 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -63.1 | -40.6 | -174.6 | -177.5 | 168.7 | 172.6 | 0 | 0 | 111.5 | C359 Q364 R365 | C359-E361 VanDerWaalsContact C-N 3.29Å; C359-E361 PolarHBondContact O-N 2.83Å; E361-Q364 PolarHBondContact O-N 3.3Å; E361-R365 WeakPolarHBondContact O-CG 3.49Å; E361-R365 PolarHBondContact O-N 3.38Å; E361-R365 IonicContact OE1-CZ 2.72Å; E361-R365 IonicContact OE1-NE 4Å; E361-R365 PolarHBondContact OE1-NE 2.88Å; E361-R365 IonicContact OE1-NH2 2.91Å; E361-R365 PolarHBondContact OE1-NH2 2.68Å |
| 362 | L | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.3 | -44.5 | 176.6 | -63.5 | 177.9 | 0 | 0 | 0 | 111.2 | W327 I328 L349 V353 C356 C359 V360 R365 Y366 | W327-L362 HydrophobicContact CB-CD1 4.12Å; W327-L362 HydrophobicContact CB-CD2 3.97Å; I328-L362 HydrophobicContact CG1-CD2 3.84Å; I328-L362 HydrophobicContact CG1-CG 4.42Å; L349-L362 HydrophobicContact CD2-CD2 4.21Å; V353-L362 HydrophobicContact CG1-CB 3.84Å; C356-L362 HydrophobicContact CB-CD1 3.91Å; C359-L362 HydrophobicContact CB-CB 4.35Å; C359-L362 HydrophobicContact CB-CD1 3.79Å; C359-L362 HydrophobicContact CB-CG 4Å; C359-L362 PolarHBondContact O-N 2.87Å; V360-L362 VanDerWaalsContact C-N 3.31Å; V360-L362 PolarHBondContact O-N 3.22Å; L362-R365 PolarHBondContact O-N 2.67Å; L362-Y366 VanDerWaalsContact O-CB 3.28Å; L362-Y366 WeakPolarHBondContact O-CB 3.43Å; L362-Y366 PolarHBondContact O-N 2.99Å |
| 363 | W | 98.6 | Very high | 97 | Very high | 19 Ų | 19 | 32.6 Ų | 32.6 | 7% | 0.072 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.6 | -45.2 | 175.5 | -72.5 | 112 | 0 | 0 | 0 | 113.1 | V353 P357 C359 V360 R365 Y366 A367 I405 T408 A409 F414 I423 | V353-W363 HydrophobicContact CB-CD2 3.84Å; V353-W363 HydrophobicContact CB-CE3 3.88Å; V353-W363 HydrophobicContact CB-CH2 3.76Å; V353-W363 HydrophobicContact CB-CZ2 3.72Å; V353-W363 HydrophobicContact CB-CZ3 3.84Å; V353-W363 HydrophobicContact CG1-CD2 3.61Å; V353-W363 HydrophobicContact CG1-CE3 3.74Å; V353-W363 HydrophobicContact CG1-CG 4Å; V353-W363 HydrophobicContact CG1-CZ2 4.43Å; V353-W363 HydrophobicContact CG1-CZ3 4.21Å; V353-W363 HydrophobicContact CG2-CE3 4.12Å; V353-W363 HydrophobicContact CG2-CH2 3.81Å; V353-W363 HydrophobicContact CG2-CZ2 4.28Å; V353-W363 HydrophobicContact CG2-CZ3 3.72Å; P357-W363 HydrophobicContact CB-CZ2 4.29Å; P357-W363 PolarHBondContact O-NE1 3.39Å; C359-W363 VanDerWaalsContact O-CD1 3.23Å; C359-W363 PolarHBondContact O-N 3.36Å; V360-W363 PolarHBondContact O-N 3.16Å; W363-R365 VanDerWaalsContact C-N 3.34Å; W363-R365 PolarHBondContact O-N 3.37Å; W363-Y366 HydrophobicContact CE3-CD1 4.32Å; W363-Y366 HydrophobicContact CZ3-CD1 4.35Å; W363-Y366 PolarHBondContact O-N 3.21Å; W363-A367 PolarHBondContact O-N 3.46Å; W363-I405 HydrophobicContact CE3-CG2 3.85Å; W363-I405 HydrophobicContact CZ3-CG2 4.12Å; W363-T408 WeakPolarHBondContact CZ3-OG1 3.43Å; W363-A409 HydrophobicContact CB-CB 4.03Å; W363-A409 HydrophobicContact CD2-CB 3.55Å; W363-A409 HydrophobicContact CE3-CB 3.76Å; W363-A409 HydrophobicContact CG-CB 3.68Å; W363-A409 HydrophobicContact CZ3-CB 4.4Å; W363-F414 AromaticContact CD1-CZ 3.77Å; W363-I423 HydrophobicContact CB-CD1 3.8Å |
| 364 | Q | 98.4 | Very high | 96.8 | Very high | 53 Ų | 53 | 32.9 Ų | 32.9 | 25% | 0.248 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.4 | -42.6 | 179.2 | -71.4 | -177.2 | -41.3 | 0 | 0 | 111.6 | V360 E361 L368 K422 I423 | V360-Q364 HydrophobicContact CG1-CG 4.1Å; V360-Q364 WeakPolarHBondContact O-CG 3.4Å; V360-Q364 PolarHBondContact O-N 3.3Å; E361-Q364 PolarHBondContact O-N 3.3Å; Q364-L368 VanDerWaalsContact O-CG 3.32Å; Q364-L368 WeakPolarHBondContact O-CG 3.48Å; Q364-L368 PolarHBondContact O-N 3.01Å; Q364-K422 PolarHBondContact NE2-O 2.94Å; Q364-I423 HydrophobicContact CG-CD1 4.24Å |
| 365 | R | 98.3 | Very high | 96.6 | Very high | 38 Ų | 38 | 32 Ų | 32 | 14% | 0.143 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.8 | -42.9 | 175.7 | -69 | -174.9 | -173.1 | -148.7 | 13.5 | 111.3 | D332 E335 L349 E361 L362 W363 A367 L368 V369 | D332-R365 IonicContact OD1-CZ 3.27Å; D332-R365 IonicContact OD1-NH1 3.88Å; D332-R365 PolarHBondContact OD1-NH1 2.94Å; D332-R365 IonicContact OD1-NH2 2.77Å; D332-R365 PolarHBondContact OD1-NH2 3.36Å; E335-R365 IonicContact OE1-NH1 2.72Å; E335-R365 IonicContact OE2-CZ 3.66Å; E335-R365 IonicContact OE2-NH1 3.77Å; E335-R365 PolarHBondContact OE2-NH1 3.08Å; L349-R365 HydrophobicContact CD1-CB 3.83Å; L349-R365 HydrophobicContact CD2-CB 3.88Å; E361-R365 WeakPolarHBondContact O-CG 3.49Å; E361-R365 PolarHBondContact O-N 3.38Å; E361-R365 IonicContact OE1-CZ 2.72Å; E361-R365 IonicContact OE1-NE 4Å; E361-R365 PolarHBondContact OE1-NE 2.88Å; E361-R365 IonicContact OE1-NH2 2.91Å; E361-R365 PolarHBondContact OE1-NH2 2.68Å; L362-R365 PolarHBondContact O-N 2.67Å; W363-R365 VanDerWaalsContact C-N 3.34Å; W363-R365 PolarHBondContact O-N 3.37Å; R365-A367 PolarHBondContact O-N 3.09Å; R365-L368 PolarHBondContact O-N 3.02Å; R365-V369 WeakPolarHBondContact O-CG2 3.41Å; R365-V369 PolarHBondContact O-N 3.36Å |
| 366 | Y | 98.6 | Very high | 96.3 | Very high | 30 Ų | 30 | 35.3 Ų | 35.3 | 12% | 0.118 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.1 | -46 | -179.9 | -178.4 | -147.1 | 0 | 0 | 0 | 112.1 | Q346 L349 S350 V353 L362 W363 L368 V369 T370 I405 | Q346-Y366 HydrophobicContact CG-CE2 4.18Å; L349-Y366 HydrophobicContact CB-CD2 3.95Å; L349-Y366 HydrophobicContact CB-CG 4.2Å; S350-Y366 PolarHBondContact OG-OH 3.33Å; V353-Y366 HydrophobicContact CG1-CD1 4.28Å; V353-Y366 HydrophobicContact CG2-CD1 3.78Å; V353-Y366 HydrophobicContact CG2-CE1 4.05Å; L362-Y366 VanDerWaalsContact O-CB 3.28Å; L362-Y366 WeakPolarHBondContact O-CB 3.43Å; L362-Y366 PolarHBondContact O-N 2.99Å; W363-Y366 HydrophobicContact CE3-CD1 4.32Å; W363-Y366 HydrophobicContact CZ3-CD1 4.35Å; W363-Y366 PolarHBondContact O-N 3.21Å; Y366-L368 PolarHBondContact O-N 3.22Å; Y366-V369 PolarHBondContact O-N 2.83Å; Y366-T370 VanDerWaalsContact CE2-OG1 3.3Å; Y366-T370 WeakPolarHBondContact CE2-OG1 3.29Å; Y366-T370 WeakPolarHBondContact O-CB 3.39Å; Y366-T370 PolarHBondContact O-N 3.45Å; Y366-T370 PolarHBondContact O-OG1 3.4Å; Y366-I405 HydrophobicContact CD1-CD1 3.92Å; Y366-I405 HydrophobicContact CD1-CG1 4.09Å; Y366-I405 HydrophobicContact CD1-CG2 3.61Å; Y366-I405 HydrophobicContact CD2-CD1 4.34Å; Y366-I405 HydrophobicContact CE1-CD1 3.63Å; Y366-I405 HydrophobicContact CE1-CG1 3.68Å; Y366-I405 HydrophobicContact CE1-CG2 4.05Å; Y366-I405 HydrophobicContact CE2-CD1 4.05Å; Y366-I405 HydrophobicContact CG-CD1 4.26Å; Y366-I405 HydrophobicContact CG-CG2 4.34Å |
| 367 | A | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.3 | -43.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | W363 R365 T370 E371 V402 I405 Y406 | W363-A367 PolarHBondContact O-N 3.46Å; R365-A367 PolarHBondContact O-N 3.09Å; A367-T370 PolarHBondContact O-N 2.92Å; A367-E371 WeakPolarHBondContact O-CB 3.32Å; A367-E371 PolarHBondContact O-N 3.5Å; A367-V402 HydrophobicContact CB-CG1 4.2Å; A367-I405 HydrophobicContact CB-CG2 4.02Å; A367-Y406 HydrophobicContact CB-CD2 4.38Å; A367-Y406 HydrophobicContact CB-CE1 3.9Å; A367-Y406 HydrophobicContact CB-CE2 3.73Å; A367-Y406 VanDerWaalsContact CB-CZ 3.46Å |
| 368 | L | 97.7 | Very high | 95.6 | Very high | 70 Ų | 70 | 39.4 Ų | 39.4 | 37% | 0.366 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65.2 | -40.8 | 178.7 | -77.9 | 170.1 | 0 | 0 | 0 | 113 | Q364 R365 Y366 E371 T372 R433 | Q364-L368 VanDerWaalsContact O-CG 3.32Å; Q364-L368 WeakPolarHBondContact O-CG 3.48Å; Q364-L368 PolarHBondContact O-N 3.01Å; R365-L368 PolarHBondContact O-N 3.02Å; Y366-L368 PolarHBondContact O-N 3.22Å; L368-E371 PolarHBondContact O-N 2.97Å; L368-T372 PolarHBondContact O-N 3.07Å; L368-T372 PolarHBondContact O-OG1 2.9Å; L368-R433 VanDerWaalsContact CD2-NH2 3.3Å |
| 369 | V | 97.4 | Very high | 95.2 | Very high | 10 Ų | 10 | 35.9 Ų | 35.9 | 6% | 0.061 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -70.6 | -41.6 | 179.1 | 173.2 | 0 | 0 | 0 | 0 | 110.3 | V342 L345 Q346 L349 R365 Y366 E371 T372 V373 | V342-V369 HydrophobicContact CG1-CG1 3.83Å; L345-V369 HydrophobicContact CB-CG1 4.3Å; L345-V369 HydrophobicContact CD2-CB 4.48Å; L345-V369 HydrophobicContact CD2-CG1 4.16Å; L345-V369 HydrophobicContact CD2-CG2 3.45Å; L345-V369 VanDerWaalsContact CD2-CG2 3.45Å; L345-V369 HydrophobicContact CG-CG1 4.08Å; L345-V369 HydrophobicContact CG-CG2 3.85Å; Q346-V369 HydrophobicContact CB-CG1 3.76Å; Q346-V369 HydrophobicContact CG-CG1 4.32Å; L349-V369 HydrophobicContact CD1-CB 4.06Å; L349-V369 HydrophobicContact CD1-CG2 3.63Å; R365-V369 WeakPolarHBondContact O-CG2 3.41Å; R365-V369 PolarHBondContact O-N 3.36Å; Y366-V369 PolarHBondContact O-N 2.83Å; V369-E371 VanDerWaalsContact C-N 3.34Å; V369-E371 PolarHBondContact O-N 3.38Å; V369-T372 WeakPolarHBondContact O-CA 3.49Å; V369-T372 WeakPolarHBondContact O-CB 3.43Å; V369-T372 PolarHBondContact O-N 3.38Å; V369-V373 WeakPolarHBondContact O-CG2 3.48Å; V369-V373 PolarHBondContact O-N 3.32Å |
| 370 | T | 97.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.7 | -42 | 173.8 | -56.7 | 0 | 0 | 0 | 0 | 111.5 | Q346 Y366 A367 T372 V373 I374 E401 V402 I405 | Q346-T370 PolarHBondContact NE2-OG1 3.48Å; Y366-T370 VanDerWaalsContact CE2-OG1 3.3Å; Y366-T370 WeakPolarHBondContact CE2-OG1 3.29Å; Y366-T370 WeakPolarHBondContact O-CB 3.39Å; Y366-T370 PolarHBondContact O-N 3.45Å; Y366-T370 PolarHBondContact O-OG1 3.4Å; A367-T370 PolarHBondContact O-N 2.92Å; T370-T372 VanDerWaalsContact C-N 3.28Å; T370-T372 PolarHBondContact O-N 3.17Å; T370-V373 PolarHBondContact O-N 2.87Å; T370-I374 HydrophobicContact CG2-CD1 4.08Å; T370-I374 VanDerWaalsContact O-CG1 3.32Å; T370-I374 WeakPolarHBondContact O-CG1 3.42Å; T370-I374 PolarHBondContact O-N 3.01Å; T370-E401 HydrophobicContact CG2-CG 4.16Å; T370-V402 HydrophobicContact CG2-CG2 3.92Å; T370-I405 HydrophobicContact CG2-CD1 3.83Å; T370-I405 WeakPolarHBondContact OG1-CD1 3.4Å |
| 371 | E | 95.9 | Very high | 93.4 | Very high | 9 Ų | 9 | 46.3 Ų | 46.3 | 4% | 0.042 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.5 | -40.8 | 171.9 | -174.2 | -178.6 | 165.3 | 0 | 0 | 111.7 | A367 L368 V369 L375 F399 V402 H430 R433 | A367-E371 WeakPolarHBondContact O-CB 3.32Å; A367-E371 PolarHBondContact O-N 3.5Å; L368-E371 PolarHBondContact O-N 2.97Å; V369-E371 VanDerWaalsContact C-N 3.34Å; V369-E371 PolarHBondContact O-N 3.38Å; E371-L375 HydrophobicContact CG-CD1 4.24Å; E371-L375 VanDerWaalsContact O-CG 3.3Å; E371-L375 WeakPolarHBondContact O-CG 3.44Å; E371-L375 PolarHBondContact O-N 2.82Å; E371-L375 VanDerWaalsContact O-N 3.07Å; E371-F399 HydrophobicContact CG-CE1 3.99Å; E371-V402 HydrophobicContact CB-CG2 4.22Å; E371-H430 VanDerWaalsContact CD-ND1 3.33Å; E371-H430 IonicContact OE1-ND1 3.28Å; E371-H430 IonicContact OE2-CE1 3.5Å; E371-H430 IonicContact OE2-CG 2.9Å; E371-H430 IonicContact OE2-ND1 3.36Å; E371-H430 PolarHBondContact OE2-ND1 3.04Å; E371-R433 IonicContact OE1-NE 2.96Å; E371-R433 PolarHBondContact OE1-NE 3.27Å; E371-R433 IonicContact OE2-CZ 3.16Å; E371-R433 IonicContact OE2-NE 3.88Å; E371-R433 PolarHBondContact OE2-NE 3.45Å; E371-R433 IonicContact OE2-NH2 3.28Å; E371-R433 PolarHBondContact OE2-NH2 3.49Å |
| 372 | T | 94.6 | Very high | 92.1 | Very high | 59 Ų | 59 | 46.2 Ų | 46.2 | 36% | 0.362 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.8 | -47.8 | 178.3 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | V342 L368 V369 T370 I374 L375 E376 | V342-T372 HydrophobicContact CG1-CG2 4.2Å; L368-T372 PolarHBondContact O-N 3.07Å; L368-T372 PolarHBondContact O-OG1 2.9Å; V369-T372 WeakPolarHBondContact O-CA 3.49Å; V369-T372 WeakPolarHBondContact O-CB 3.43Å; V369-T372 PolarHBondContact O-N 3.38Å; T370-T372 VanDerWaalsContact C-N 3.28Å; T370-T372 PolarHBondContact O-N 3.17Å; T372-I374 VanDerWaalsContact C-N 3.34Å; T372-I374 PolarHBondContact O-N 3.44Å; T372-L375 PolarHBondContact O-N 3.47Å; T372-E376 WeakPolarHBondContact O-CG 3.3Å; T372-E376 PolarHBondContact O-N 3.46Å |
| 373 | V | 94.8 | Very high | 90.6 | Very high | 18 Ų | 18 | 52.5 Ų | 52.5 | 11% | 0.109 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60 | -43.7 | 177.8 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | V342 Q346 V369 T370 L375 E376 N377 | V342-V373 HydrophobicContact CB-CG2 4.32Å; V342-V373 HydrophobicContact CG1-CG2 3.57Å; Q346-V373 HydrophobicContact CB-CG2 4.4Å; V369-V373 WeakPolarHBondContact O-CG2 3.48Å; V369-V373 PolarHBondContact O-N 3.32Å; T370-V373 PolarHBondContact O-N 2.87Å; V373-L375 VanDerWaalsContact C-N 3.34Å; V373-L375 PolarHBondContact O-N 3.4Å; V373-E376 PolarHBondContact O-N 2.99Å; V373-N377 WeakPolarHBondContact O-CB 3.42Å; V373-N377 VanDerWaalsContact O-CG 3.24Å; V373-N377 PolarHBondContact O-N 2.92Å; V373-N377 PolarHBondContact O-ND2 3.27Å |
| 374 | I | 93.9 | Very high | 89.2 | Confident | 10 Ų | 10 | 55.4 Ų | 55.4 | 5% | 0.051 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.5 | -44.8 | 176.6 | -68.6 | 164.8 | 0 | 0 | 0 | 110.7 | T370 T372 N377 I378 L398 F399 V402 | T370-I374 HydrophobicContact CG2-CD1 4.08Å; T370-I374 VanDerWaalsContact O-CG1 3.32Å; T370-I374 WeakPolarHBondContact O-CG1 3.42Å; T370-I374 PolarHBondContact O-N 3.01Å; T372-I374 VanDerWaalsContact C-N 3.34Å; T372-I374 PolarHBondContact O-N 3.44Å; I374-N377 PolarHBondContact O-N 2.9Å; I374-I378 HydrophobicContact CG2-CD1 3.79Å; I374-I378 HydrophobicContact CG2-CG1 4.48Å; I374-I378 VanDerWaalsContact O-CG1 3.28Å; I374-I378 WeakPolarHBondContact O-CG1 3.38Å; I374-I378 PolarHBondContact O-N 3.31Å; I374-L398 WeakPolarHBondContact CD1-O 3.48Å; I374-L398 HydrophobicContact CG2-CB 3.94Å; I374-F399 HydrophobicContact CB-CD1 4.49Å; I374-F399 HydrophobicContact CB-CE1 4.04Å; I374-F399 HydrophobicContact CB-CZ 4.37Å; I374-F399 HydrophobicContact CD1-CD1 4.17Å; I374-F399 HydrophobicContact CG2-CD1 4.01Å; I374-F399 HydrophobicContact CG2-CD2 4.31Å; I374-F399 HydrophobicContact CG2-CE1 3.59Å; I374-F399 HydrophobicContact CG2-CE2 3.91Å; I374-F399 HydrophobicContact CG2-CG 4.36Å; I374-F399 HydrophobicContact CG2-CZ 3.53Å; I374-V402 HydrophobicContact CD1-CG2 3.69Å |
| 375 | L | 91.5 | Very high | 87.1 | Confident | 66 Ų | 66 | 57.4 Ų | 57.4 | 35% | 0.346 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.7 | -40.6 | 178.5 | -73.5 | 169 | 0 | 0 | 0 | 112.7 | E371 T372 V373 I378 S379 F399 L437 | E371-L375 HydrophobicContact CG-CD1 4.24Å; E371-L375 VanDerWaalsContact O-CG 3.3Å; E371-L375 WeakPolarHBondContact O-CG 3.44Å; E371-L375 PolarHBondContact O-N 2.82Å; E371-L375 VanDerWaalsContact O-N 3.07Å; T372-L375 PolarHBondContact O-N 3.47Å; V373-L375 VanDerWaalsContact C-N 3.34Å; V373-L375 PolarHBondContact O-N 3.4Å; L375-I378 PolarHBondContact O-N 2.95Å; L375-S379 WeakPolarHBondContact O-CB 3.34Å; L375-S379 PolarHBondContact O-N 3.38Å; L375-F399 HydrophobicContact CD2-CZ 3.82Å; L375-F399 HydrophobicContact CG-CE1 4.36Å; L375-F399 HydrophobicContact CG-CZ 4.06Å; L375-L437 HydrophobicContact CD2-CD1 4.48Å |
| 376 | E | 90.2 | Very high | 84.7 | Confident | 79 Ų | 79 | 59 Ų | 59 | 37% | 0.369 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.4 | -42.1 | 175.2 | -72.9 | -176.7 | 165.4 | 0 | 0 | 111.6 | T372 V373 S379 F380 | T372-E376 WeakPolarHBondContact O-CG 3.3Å; T372-E376 PolarHBondContact O-N 3.46Å; V373-E376 PolarHBondContact O-N 2.99Å; E376-S379 PolarHBondContact O-N 3.35Å; E376-F380 WeakPolarHBondContact O-CB 3.27Å; E376-F380 PolarHBondContact O-N 2.97Å |
| 377 | N | 89.7 | Confident | 82 | Confident | 92 Ų | 92 | 62.6 Ų | 62.6 | 49% | 0.492 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.7 | -41.2 | 176.3 | -74 | -24.6 | 0 | 0 | 0 | 112.6 | V373 I374 K381 | V373-N377 WeakPolarHBondContact O-CB 3.42Å; V373-N377 VanDerWaalsContact O-CG 3.24Å; V373-N377 PolarHBondContact O-N 2.92Å; V373-N377 PolarHBondContact O-ND2 3.27Å; I374-N377 PolarHBondContact O-N 2.9Å; N377-K381 WeakPolarHBondContact O-CG 3.48Å; N377-K381 PolarHBondContact O-N 3.26Å; N377-K381 VanDerWaalsContact O-N 3.12Å |
| 378 | I | 87.1 | Confident | 79.3 | Confident | 35 Ų | 35 | 70.6 Ų | 70.6 | 18% | 0.179 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -64.6 | -46.6 | 175.5 | -68 | 166 | 0 | 0 | 0 | 110.3 | I374 L375 F380 K381 S382 L398 F399 | I374-I378 HydrophobicContact CG2-CD1 3.79Å; I374-I378 HydrophobicContact CG2-CG1 4.48Å; I374-I378 VanDerWaalsContact O-CG1 3.28Å; I374-I378 WeakPolarHBondContact O-CG1 3.38Å; I374-I378 PolarHBondContact O-N 3.31Å; L375-I378 PolarHBondContact O-N 2.95Å; I378-F380 VanDerWaalsContact C-N 3.34Å; I378-F380 PolarHBondContact O-N 3.15Å; I378-K381 PolarHBondContact O-N 3.19Å; I378-S382 PolarHBondContact O-N 2.77Å; I378-L398 HydrophobicContact CD1-CD1 4.22Å; I378-L398 HydrophobicContact CG1-CD1 4.07Å; I378-F399 HydrophobicContact CD1-CE2 3.9Å; I378-F399 HydrophobicContact CD1-CZ 4.15Å |
| 379 | S | 84.9 | Confident | 76.8 | Confident | 61 Ų | 61 | 76.7 Ų | 76.7 | 43% | 0.427 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -57.5 | -45.8 | 177.2 | -178.3 | 0 | 0 | 0 | 0 | 111.9 | L375 E376 K381 S382 N383 | L375-S379 WeakPolarHBondContact O-CB 3.34Å; L375-S379 PolarHBondContact O-N 3.38Å; E376-S379 PolarHBondContact O-N 3.35Å; S379-K381 PolarHBondContact O-N 3.25Å; S379-S382 PolarHBondContact O-N 3.26Å; S379-S382 PolarHBondContact O-OG 3.49Å; S379-N383 PolarHBondContact O-N 3.31Å |
| 380 | F | 80.9 | Confident | 74.4 | Confident | 144 Ų | 144 | 82 Ų | 82 | 63% | 0.632 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -63.6 | -42.8 | 179.2 | -174.2 | -95.7 | 0 | 0 | 0 | 113 | E376 I378 S382 N383 T384 | E376-F380 WeakPolarHBondContact O-CB 3.27Å; E376-F380 PolarHBondContact O-N 2.97Å; I378-F380 VanDerWaalsContact C-N 3.34Å; I378-F380 PolarHBondContact O-N 3.15Å; F380-S382 VanDerWaalsContact C-N 3.35Å; F380-S382 PolarHBondContact O-N 2.86Å; F380-N383 PolarHBondContact O-N 3.05Å; F380-T384 HydrophobicContact CD1-CG2 4.39Å; F380-T384 HydrophobicContact CE1-CG2 3.95Å; F380-T384 HydrophobicContact CZ-CG2 4.03Å; F380-T384 PolarHBondContact O-N 2.77Å; F380-T384 PolarHBondContact O-OG1 3.13Å |
| 381 | K | 76.6 | Confident | 72.3 | Confident | 103 Ų | 103 | 84.7 Ų | 84.7 | 45% | 0.448 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.8 | -39.9 | 175.4 | -73.9 | -179.9 | 179.3 | -176.5 | 0 | 112.4 | N377 I378 S379 N383 T384 N385 | N377-K381 WeakPolarHBondContact O-CG 3.48Å; N377-K381 PolarHBondContact O-N 3.26Å; N377-K381 VanDerWaalsContact O-N 3.12Å; I378-K381 PolarHBondContact O-N 3.19Å; S379-K381 PolarHBondContact O-N 3.25Å; K381-N383 VanDerWaalsContact C-N 3.26Å; K381-N383 PolarHBondContact O-N 3.48Å; K381-T384 WeakPolarHBondContact CA-OG1 3.47Å; K381-T384 PolarHBondContact O-N 2.71Å; K381-T384 PolarHBondContact O-OG1 2.85Å; K381-T384 VanDerWaalsContact O-OG1 3.11Å; K381-N385 PolarHBondContact O-N 3.28Å; K381-N385 VanDerWaalsContact O-N 3.09Å |
| 382 | S | 70.2 | Confident | 70.3 | Confident | 74 Ų | 74 | 87.8 Ų | 87.8 | 52% | 0.517 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.7 | -28.4 | 179.2 | 74.1 | 0 | 0 | 0 | 0 | 113.8 | I378 S379 F380 | I378-S382 PolarHBondContact O-N 2.77Å; S379-S382 PolarHBondContact O-N 3.26Å; S379-S382 PolarHBondContact O-OG 3.49Å; F380-S382 VanDerWaalsContact C-N 3.35Å; F380-S382 PolarHBondContact O-N 2.86Å |
| 383 | N | 66.7 | Low | 68.7 | Low | 132 Ų | 132 | 88.1 Ų | 88.1 | 71% | 0.706 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -85 | -24.4 | 178.9 | -72.7 | -23.2 | 0 | 0 | 0 | 113.4 | S379 F380 K381 | S379-N383 PolarHBondContact O-N 3.31Å; F380-N383 PolarHBondContact O-N 3.05Å; K381-N383 VanDerWaalsContact C-N 3.26Å; K381-N383 PolarHBondContact O-N 3.48Å |
| 384 | T | 69.2 | Low | 67.6 | Low | 80 Ų | 80 | 91 Ų | 91 | 49% | 0.491 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -90.6 | -37.5 | -177.1 | 46.3 | 0 | 0 | 0 | 0 | 112.5 | F380 K381 | F380-T384 HydrophobicContact CD1-CG2 4.39Å; F380-T384 HydrophobicContact CE1-CG2 3.95Å; F380-T384 HydrophobicContact CZ-CG2 4.03Å; F380-T384 PolarHBondContact O-N 2.77Å; F380-T384 PolarHBondContact O-OG1 3.13Å; K381-T384 WeakPolarHBondContact CA-OG1 3.47Å; K381-T384 PolarHBondContact O-N 2.71Å; K381-T384 PolarHBondContact O-OG1 2.85Å; K381-T384 VanDerWaalsContact O-OG1 3.11Å |
| 385 | N | 55 | Low | 66.9 | Low | 96 Ų | 96 | 94 Ų | 94 | 51% | 0.513 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -100.8 | 103.9 | 178.1 | -65.8 | -20.7 | 0 | 0 | 0 | 109.2 | K381 A387 | K381-N385 PolarHBondContact O-N 3.28Å; K381-N385 VanDerWaalsContact O-N 3.09Å; N385-A387 PolarHBondContact O-N 2.87Å |
| 386 | G | 48.1 | Very low | 66.5 | Low | 72 Ų | 72 | 91.3 Ų | 91.3 | 74% | 0.742 | 51% | 0.514 | S | S | * | . | trans | -51.4 | 107.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q388 | G386-Q388 PolarHBondContact O-N 3.36Š| ||
| 387 | A | 41.2 | Very low | 66.4 | Low | 105 Ų | 105 | 91.2 Ų | 91.2 | 87% | 0.868 | 52% | 0.516 | S | S | * | . | S | Bend | trans | 27 | 60.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 116 | N385 | N385-A387 PolarHBondContact O-N 2.87Š|
| 388 | Q | 42.3 | Very low | 66.5 | Low | 168 Ų | 168 | 90.6 Ų | 90.6 | 79% | 0.785 | 51% | 0.512 | S | S | * | . | trans | -97.7 | 119.2 | 152.2 | -69.2 | -170.7 | 3.4 | 0 | 0 | 106.8 | G386 E390 | G386-Q388 PolarHBondContact O-N 3.36Å; Q388-E390 PolarHBondContact O-N 3.06Å | ||
| 389 | Q | 44.6 | Very low | 66.8 | Low | 198 Ų | 198 | 89.3 Ų | 89.3 | 93% | 0.925 | 51% | 0.505 | S | S | * | . | trans | -64.4 | 78.6 | -179.2 | -160.8 | 173.7 | 13.8 | 0 | 0 | 108.5 | S391 | Q389-S391 PolarHBondContact O-N 3.24Š| ||
| 390 | E | 46.7 | Very low | 67.3 | Low | 120 Ų | 120 | 91.9 Ų | 91.9 | 56% | 0.561 | 51% | 0.509 | S | S | * | . | trans | -55.9 | 129.1 | 169.2 | -81.4 | -174.5 | 171.2 | 0 | 0 | 107.7 | Q388 V392 | Q388-E390 PolarHBondContact O-N 3.06Å; E390-V392 PolarHBondContact O-N 3.15Å | ||
| 391 | S | 53.4 | Low | 68 | Low | 58 Ų | 58 | 89.8 Ų | 89.8 | 41% | 0.406 | 50% | 0.501 | S | S | . | . | trans | -57.4 | 135.2 | -170.6 | 47.3 | 0 | 0 | 0 | 0 | 111.7 | Q389 S393 N394 | Q389-S391 PolarHBondContact O-N 3.24Å; S391-S393 WeakPolarHBondContact CB-OG 3.46Å; S391-S393 PolarHBondContact O-N 3.31Å; S391-S393 PolarHBondContact OG-OG 2.77Å; S391-S393 VanDerWaalsContact OG-OG 3.11Å; S391-N394 PolarHBondContact O-N 2.7Å; S391-N394 PolarHBondContact OG-ND2 3.03Å; S391-N394 PolarHBondContact OG-OD1 3.47Å | ||
| 392 | V | 54.5 | Low | 69 | Low | 74 Ų | 74 | 84.9 Ų | 84.9 | 45% | 0.448 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -51.7 | -23.2 | 178.7 | -174.7 | 0 | 0 | 0 | 0 | 113.7 | E390 S396 | E390-V392 PolarHBondContact O-N 3.15Å; V392-S396 PolarHBondContact O-N 3.38Å |
| 393 | S | 60.5 | Low | 70.3 | Confident | 65 Ų | 65 | 82.5 Ų | 82.5 | 46% | 0.455 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -58.9 | -44.7 | 172.2 | 50.9 | 0 | 0 | 0 | 0 | 112.7 | S391 E395 S396 D397 | S391-S393 WeakPolarHBondContact CB-OG 3.46Å; S391-S393 PolarHBondContact O-N 3.31Å; S391-S393 PolarHBondContact OG-OG 2.77Å; S391-S393 VanDerWaalsContact OG-OG 3.11Å; S393-E395 PolarHBondContact O-N 3.26Å; S393-S396 PolarHBondContact O-N 2.97Å; S393-D397 PolarHBondContact O-N 3.17Å; S393-D397 VanDerWaalsContact O-N 3.15Å |
| 394 | N | 72.2 | Confident | 71.8 | Confident | 80 Ų | 80 | 77.7 Ų | 77.7 | 43% | 0.428 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -69.1 | -37.4 | -171.9 | -64.2 | 3.2 | 0 | 0 | 0 | 111.3 | S391 S396 D397 L398 | S391-N394 PolarHBondContact O-N 2.7Å; S391-N394 PolarHBondContact OG-ND2 3.03Å; S391-N394 PolarHBondContact OG-OD1 3.47Å; N394-S396 VanDerWaalsContact C-N 3.34Å; N394-S396 PolarHBondContact O-N 2.75Å; N394-D397 PolarHBondContact O-N 3.05Å; N394-L398 PolarHBondContact O-N 3.42Å |
| 395 | E | 79.4 | Confident | 73.1 | Confident | 72 Ų | 72 | 74.3 Ų | 74.3 | 34% | 0.336 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 174.3 | -70.7 | -171.8 | 166.7 | 0 | 0 | 111.7 | S393 D397 L398 F399 R448 | S393-E395 PolarHBondContact O-N 3.26Å; E395-D397 PolarHBondContact O-N 2.87Å; E395-L398 PolarHBondContact O-N 2.88Å; E395-F399 WeakPolarHBondContact O-CD2 3.34Å; E395-R448 IonicContact OE2-NH2 3.44Å; E395-R448 PolarHBondContact OE2-NH2 3.31Å |
| 396 | S | 83.7 | Confident | 75.2 | Confident | 9 Ų | 9 | 69.8 Ų | 69.8 | 6% | 0.063 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65.7 | -32.2 | 179.8 | -169.9 | 0 | 0 | 0 | 0 | 112.2 | V392 S393 N394 F399 | V392-S396 PolarHBondContact O-N 3.38Å; S393-S396 PolarHBondContact O-N 2.97Å; N394-S396 VanDerWaalsContact C-N 3.34Å; N394-S396 PolarHBondContact O-N 2.75Å; S396-F399 PolarHBondContact O-N 3.45Å |
| 397 | D | 87.3 | Confident | 77.6 | Confident | 77 Ų | 77 | 69.9 Ų | 69.9 | 41% | 0.412 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -68.1 | -36.3 | 178.7 | -70.9 | -35.4 | 0 | 0 | 0 | 112.2 | S393 N394 E395 F399 K400 | S393-D397 PolarHBondContact O-N 3.17Å; S393-D397 VanDerWaalsContact O-N 3.15Å; N394-D397 PolarHBondContact O-N 3.05Å; E395-D397 PolarHBondContact O-N 2.87Å; D397-F399 VanDerWaalsContact C-N 3.31Å; D397-F399 PolarHBondContact O-N 3.32Å; D397-K400 VanDerWaalsContact O-CB 3.29Å; D397-K400 WeakPolarHBondContact O-CB 3.46Å; D397-K400 PolarHBondContact O-N 3.48Å; D397-K400 VanDerWaalsContact O-N 3.16Å; D397-K400 VanDerWaalsContact OD1-CE 3.27Å; D397-K400 WeakPolarHBondContact OD1-CE 3.3Å; D397-K400 IonicContact OD1-NZ 3.7Å; D397-K400 PolarHBondContact OD1-NZ 3.39Å |
| 398 | L | 91.4 | Very high | 80.2 | Confident | 79 Ų | 79 | 68.5 Ų | 68.5 | 41% | 0.414 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.6 | -40.4 | 176.1 | -64.9 | 174 | 0 | 0 | 0 | 112 | I374 I378 N394 E395 K400 E401 | I374-L398 WeakPolarHBondContact CD1-O 3.48Å; I374-L398 HydrophobicContact CG2-CB 3.94Å; I378-L398 HydrophobicContact CD1-CD1 4.22Å; I378-L398 HydrophobicContact CG1-CD1 4.07Å; N394-L398 PolarHBondContact O-N 3.42Å; E395-L398 PolarHBondContact O-N 2.88Å; L398-K400 PolarHBondContact O-N 3.15Å; L398-E401 WeakPolarHBondContact O-CB 3.32Å; L398-E401 PolarHBondContact O-N 3.32Å |
| 399 | F | 94.4 | Very high | 82.8 | Confident | 8 Ų | 8 | 60.5 Ų | 60.5 | 4% | 0.035 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -7.7 | -179.9 | -70.5 | -75.5 | 0 | 0 | 0 | 114.4 | E371 I374 L375 I378 E395 S396 D397 E401 V402 D403 H430 R434 | E371-F399 HydrophobicContact CG-CE1 3.99Å; I374-F399 HydrophobicContact CB-CD1 4.49Å; I374-F399 HydrophobicContact CB-CE1 4.04Å; I374-F399 HydrophobicContact CB-CZ 4.37Å; I374-F399 HydrophobicContact CD1-CD1 4.17Å; I374-F399 HydrophobicContact CG2-CD1 4.01Å; I374-F399 HydrophobicContact CG2-CD2 4.31Å; I374-F399 HydrophobicContact CG2-CE1 3.59Å; I374-F399 HydrophobicContact CG2-CE2 3.91Å; I374-F399 HydrophobicContact CG2-CG 4.36Å; I374-F399 HydrophobicContact CG2-CZ 3.53Å; L375-F399 HydrophobicContact CD2-CZ 3.82Å; L375-F399 HydrophobicContact CG-CE1 4.36Å; L375-F399 HydrophobicContact CG-CZ 4.06Å; I378-F399 HydrophobicContact CD1-CE2 3.9Å; I378-F399 HydrophobicContact CD1-CZ 4.15Å; E395-F399 WeakPolarHBondContact O-CD2 3.34Å; S396-F399 PolarHBondContact O-N 3.45Å; D397-F399 VanDerWaalsContact C-N 3.31Å; D397-F399 PolarHBondContact O-N 3.32Å; F399-E401 PolarHBondContact O-N 3.18Å; F399-V402 HydrophobicContact CD1-CG2 4.28Å; F399-V402 PolarHBondContact O-N 3.44Å; F399-D403 PolarHBondContact O-N 3.33Å; F399-D403 VanDerWaalsContact O-N 3.09Å; F399-H430 AromaticContact CD1-CE1 3.84Å; F399-R434 VanDerWaalsContact CB-NH1 3.29Å; F399-R434 VanDerWaalsContact CG-CZ 3.42Å |
| 400 | K | 94.4 | Very high | 85.3 | Confident | 115 Ų | 115 | 52.8 Ų | 52.8 | 50% | 0.5 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.8 | -24.6 | 170.6 | -70 | 176.4 | 172.6 | 163.5 | 0 | 112 | D397 L398 D403 G404 | D397-K400 VanDerWaalsContact O-CB 3.29Å; D397-K400 WeakPolarHBondContact O-CB 3.46Å; D397-K400 PolarHBondContact O-N 3.48Å; D397-K400 VanDerWaalsContact O-N 3.16Å; D397-K400 VanDerWaalsContact OD1-CE 3.27Å; D397-K400 WeakPolarHBondContact OD1-CE 3.3Å; D397-K400 IonicContact OD1-NZ 3.7Å; D397-K400 PolarHBondContact OD1-NZ 3.39Å; L398-K400 PolarHBondContact O-N 3.15Å; K400-D403 PolarHBondContact O-N 3.49Å; K400-G404 PolarHBondContact O-N 3.03Å |
| 401 | E | 95.5 | Very high | 87.5 | Confident | 101 Ų | 101 | 51.1 Ų | 51.1 | 47% | 0.472 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61 | -45.7 | 171.4 | -171.5 | -178.4 | 162.4 | 0 | 0 | 111.1 | T370 L398 F399 G404 I405 | T370-E401 HydrophobicContact CG2-CG 4.16Å; L398-E401 WeakPolarHBondContact O-CB 3.32Å; L398-E401 PolarHBondContact O-N 3.32Å; F399-E401 PolarHBondContact O-N 3.18Å; E401-G404 PolarHBondContact O-N 3.11Å; E401-I405 WeakPolarHBondContact O-CG1 3.36Å; E401-I405 PolarHBondContact O-N 3.35Å |
| 402 | V | 97.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.1 | -41.2 | 177.4 | -175.4 | 0 | 0 | 0 | 0 | 111.2 | A367 T370 E371 I374 F399 G404 I405 Y406 | A367-V402 HydrophobicContact CB-CG1 4.2Å; T370-V402 HydrophobicContact CG2-CG2 3.92Å; E371-V402 HydrophobicContact CB-CG2 4.22Å; I374-V402 HydrophobicContact CD1-CG2 3.69Å; F399-V402 HydrophobicContact CD1-CG2 4.28Å; F399-V402 PolarHBondContact O-N 3.44Å; V402-G404 VanDerWaalsContact C-N 3.29Å; V402-G404 PolarHBondContact O-N 3.47Å; V402-I405 WeakPolarHBondContact O-CB 3.5Å; V402-I405 PolarHBondContact O-N 3.42Å; V402-Y406 HydrophobicContact CG1-CD2 4.12Å; V402-Y406 HydrophobicContact CG1-CE2 3.75Å; V402-Y406 VanDerWaalsContact O-CD2 3.27Å; V402-Y406 WeakPolarHBondContact O-CD2 3.37Å; V402-Y406 PolarHBondContact O-N 2.95Å |
| 403 | D | 97.8 | Very high | 90.8 | Very high | 23 Ų | 23 | 49.4 Ų | 49.4 | 12% | 0.123 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -56.9 | -46.7 | 172.3 | -65.3 | -42.7 | 0 | 0 | 0 | 110.2 | F399 K400 I405 Y406 E407 Y427 H430 H431 | F399-D403 PolarHBondContact O-N 3.33Å; F399-D403 VanDerWaalsContact O-N 3.09Å; K400-D403 PolarHBondContact O-N 3.49Å; D403-I405 VanDerWaalsContact C-N 3.33Å; D403-I405 PolarHBondContact O-N 3.33Å; D403-Y406 PolarHBondContact O-N 3.5Å; D403-Y406 VanDerWaalsContact O-N 3.08Å; D403-E407 WeakPolarHBondContact O-CG 3.33Å; D403-E407 PolarHBondContact O-N 3.12Å; D403-Y427 HydrophobicContact CB-CE2 4.5Å; D403-Y427 VanDerWaalsContact OD1-CE2 3.23Å; D403-Y427 WeakPolarHBondContact OD1-CE2 3.34Å; D403-Y427 PolarHBondContact OD1-OH 3.22Å; D403-H430 IonicContact OD1-CD2 2.77Å; D403-H430 IonicContact OD1-NE2 3.9Å; D403-H431 IonicContact OD1-CE1 3.54Å; D403-H431 PolarHBondContact OD1-CE1 3.11Å; D403-H431 IonicContact OD1-NE2 3.43Å |
| 404 | G | 97.7 | Very high | 92.3 | Very high | 31 Ų | 31 | 47.5 Ų | 47.5 | 32% | 0.32 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -57.1 | -40.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | K400 E401 V402 Y406 E407 T408 | K400-G404 PolarHBondContact O-N 3.03Å; E401-G404 PolarHBondContact O-N 3.11Å; V402-G404 VanDerWaalsContact C-N 3.29Å; V402-G404 PolarHBondContact O-N 3.47Å; G404-Y406 VanDerWaalsContact C-N 3.35Å; G404-Y406 PolarHBondContact O-N 3.36Å; G404-E407 PolarHBondContact O-N 2.98Å; G404-T408 WeakPolarHBondContact O-CG2 3.24Å; G404-T408 PolarHBondContact O-N 3.26Å; G404-T408 PolarHBondContact O-OG1 3.44Å |
| 405 | I | 98.3 | Very high | 93 | Very high | 10 Ų | 10 | 50.6 Ų | 50.6 | 5% | 0.051 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.2 | -46.4 | 174.3 | -65.4 | 168.6 | 0 | 0 | 0 | 110.4 | W363 Y366 A367 T370 E401 V402 D403 T408 A409 | W363-I405 HydrophobicContact CE3-CG2 3.85Å; W363-I405 HydrophobicContact CZ3-CG2 4.12Å; Y366-I405 HydrophobicContact CD1-CD1 3.92Å; Y366-I405 HydrophobicContact CD1-CG1 4.09Å; Y366-I405 HydrophobicContact CD1-CG2 3.61Å; Y366-I405 HydrophobicContact CD2-CD1 4.34Å; Y366-I405 HydrophobicContact CE1-CD1 3.63Å; Y366-I405 HydrophobicContact CE1-CG1 3.68Å; Y366-I405 HydrophobicContact CE1-CG2 4.05Å; Y366-I405 HydrophobicContact CE2-CD1 4.05Å; Y366-I405 HydrophobicContact CG-CD1 4.26Å; Y366-I405 HydrophobicContact CG-CG2 4.34Å; A367-I405 HydrophobicContact CB-CG2 4.02Å; T370-I405 HydrophobicContact CG2-CD1 3.83Å; T370-I405 WeakPolarHBondContact OG1-CD1 3.4Å; E401-I405 WeakPolarHBondContact O-CG1 3.36Å; E401-I405 PolarHBondContact O-N 3.35Å; V402-I405 WeakPolarHBondContact O-CB 3.5Å; V402-I405 PolarHBondContact O-N 3.42Å; D403-I405 VanDerWaalsContact C-N 3.33Å; D403-I405 PolarHBondContact O-N 3.33Å; I405-T408 WeakPolarHBondContact CA-OG1 3.45Å; I405-T408 PolarHBondContact O-N 3.27Å; I405-T408 PolarHBondContact O-OG1 3.43Å; I405-A409 WeakPolarHBondContact O-CB 3.45Å; I405-A409 PolarHBondContact O-N 2.9Å |
| 406 | Y | 98.5 | Very high | 93.4 | Very high | 1 Ų | 1 | 50 Ų | 50 | 0% | 0.004 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.8 | -40.1 | 177.9 | -73.6 | -65 | 0 | 0 | 0 | 112.9 | A367 V402 D403 G404 A409 L410 I423 S426 Y427 H430 | A367-Y406 HydrophobicContact CB-CD2 4.38Å; A367-Y406 HydrophobicContact CB-CE1 3.9Å; A367-Y406 HydrophobicContact CB-CE2 3.73Å; A367-Y406 VanDerWaalsContact CB-CZ 3.46Å; V402-Y406 HydrophobicContact CG1-CD2 4.12Å; V402-Y406 HydrophobicContact CG1-CE2 3.75Å; V402-Y406 VanDerWaalsContact O-CD2 3.27Å; V402-Y406 WeakPolarHBondContact O-CD2 3.37Å; V402-Y406 PolarHBondContact O-N 2.95Å; D403-Y406 PolarHBondContact O-N 3.5Å; D403-Y406 VanDerWaalsContact O-N 3.08Å; G404-Y406 VanDerWaalsContact C-N 3.35Å; G404-Y406 PolarHBondContact O-N 3.36Å; Y406-A409 PolarHBondContact O-N 2.92Å; Y406-L410 VanDerWaalsContact O-CG 3.3Å; Y406-L410 WeakPolarHBondContact O-CG 3.39Å; Y406-L410 PolarHBondContact O-N 2.91Å; Y406-I423 HydrophobicContact CD1-CG2 4.12Å; Y406-S426 WeakPolarHBondContact CE1-OG 3.44Å; Y406-S426 PolarHBondContact OH-O 3.46Å; Y406-S426 VanDerWaalsContact OH-O 3.14Å; Y406-S426 PolarHBondContact OH-OG 2.84Å; Y406-Y427 HydrophobicContact CD1-CG 4.14Å; Y406-Y427 AromaticContact CD2-CD2 3.35Å; Y406-Y427 HydrophobicContact CD2-CD2 3.35Å; Y406-Y427 AromaticContact CD2-CE2 3.84Å; Y406-Y427 HydrophobicContact CD2-CE2 3.84Å; Y406-Y427 AromaticContact CD2-CG 3.78Å; Y406-Y427 HydrophobicContact CD2-CG 3.78Å; Y406-Y427 AromaticContact CE2-CD2 3.93Å; Y406-Y427 HydrophobicContact CE2-CD2 3.93Å; Y406-Y427 HydrophobicContact CE2-CG 4.43Å; Y406-Y427 HydrophobicContact CG-CD1 4.09Å; Y406-Y427 AromaticContact CG-CD2 3.7Å; Y406-Y427 HydrophobicContact CG-CD2 3.7Å; Y406-Y427 HydrophobicContact CG-CE2 4.28Å; Y406-Y427 AromaticContact CG-CG 3.6Å; Y406-Y427 HydrophobicContact CG-CG 3.6Å; Y406-H430 HydrophobicContact CE2-CB 3.74Å |
| 407 | E | 97.6 | Very high | 93.6 | Very high | 74 Ų | 74 | 51.1 Ų | 51.1 | 35% | 0.346 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 176.2 | -62.2 | -58.7 | 159.2 | 0 | 0 | 111.5 | D403 G404 L410 A411 Y427 R458 | D403-E407 WeakPolarHBondContact O-CG 3.33Å; D403-E407 PolarHBondContact O-N 3.12Å; G404-E407 PolarHBondContact O-N 2.98Å; E407-L410 PolarHBondContact O-N 3.34Å; E407-A411 PolarHBondContact O-N 3.37Å; E407-A411 VanDerWaalsContact O-N 3.08Å; E407-Y427 WeakPolarHBondContact OE1-CE1 3.31Å; E407-Y427 PolarHBondContact OE1-OH 3.02Å; E407-R458 IonicContact OE1-CZ 3.29Å; E407-R458 VanDerWaalsContact OE1-CZ 3.24Å; E407-R458 IonicContact OE1-NH1 3.45Å; E407-R458 PolarHBondContact OE1-NH1 2.91Å; E407-R458 IonicContact OE1-NH2 3.99Å; E407-R458 PolarHBondContact OE1-NH2 3.05Å; E407-R458 IonicContact OE2-NH1 3.64Å; E407-R458 PolarHBondContact OE2-NH1 3.27Å |
| 408 | T | 96.4 | Very high | 93.7 | Very high | 76 Ų | 76 | 50.9 Ų | 50.9 | 47% | 0.466 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.5 | -39.1 | 174.7 | 57.6 | 0 | 0 | 0 | 0 | 112.2 | W363 G404 I405 A411 A412 | W363-T408 WeakPolarHBondContact CZ3-OG1 3.43Å; G404-T408 WeakPolarHBondContact O-CG2 3.24Å; G404-T408 PolarHBondContact O-N 3.26Å; G404-T408 PolarHBondContact O-OG1 3.44Å; I405-T408 WeakPolarHBondContact CA-OG1 3.45Å; I405-T408 PolarHBondContact O-N 3.27Å; I405-T408 PolarHBondContact O-OG1 3.43Å; T408-A411 PolarHBondContact O-N 3.18Å; T408-A412 PolarHBondContact O-N 3.07Å; T408-A412 VanDerWaalsContact O-N 3.16Å |
| 409 | A | 97.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | W363 I405 Y406 A411 A412 F414 I423 | W363-A409 HydrophobicContact CB-CB 4.03Å; W363-A409 HydrophobicContact CD2-CB 3.55Å; W363-A409 HydrophobicContact CE3-CB 3.76Å; W363-A409 HydrophobicContact CG-CB 3.68Å; W363-A409 HydrophobicContact CZ3-CB 4.4Å; I405-A409 WeakPolarHBondContact O-CB 3.45Å; I405-A409 PolarHBondContact O-N 2.9Å; Y406-A409 PolarHBondContact O-N 2.92Å; A409-A411 PolarHBondContact O-N 3.34Å; A409-A412 WeakPolarHBondContact O-CB 3.37Å; A409-A412 PolarHBondContact O-N 2.95Å; A409-F414 WeakPolarHBondContact O-CE2 3.32Å; A409-I423 HydrophobicContact CB-CD1 4.17Å; A409-I423 HydrophobicContact CB-CG2 4.1Å |
| 410 | L | 95.5 | Very high | 93.6 | Very high | 35 Ų | 35 | 48.8 Ų | 48.8 | 18% | 0.183 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.9 | -31.3 | 177.3 | -70.7 | 169 | 0 | 0 | 0 | 112.4 | Y406 E407 A412 V420 I423 W424 Y427 | Y406-L410 VanDerWaalsContact O-CG 3.3Å; Y406-L410 WeakPolarHBondContact O-CG 3.39Å; Y406-L410 PolarHBondContact O-N 2.91Å; E407-L410 PolarHBondContact O-N 3.34Å; L410-A412 VanDerWaalsContact C-N 3.34Å; L410-V420 HydrophobicContact CD2-CG1 3.79Å; L410-I423 HydrophobicContact CD2-CB 4.18Å; L410-I423 HydrophobicContact CD2-CG2 3.66Å; L410-I423 HydrophobicContact CG-CG2 3.81Å; L410-W424 HydrophobicContact CD1-CD2 4.18Å; L410-W424 HydrophobicContact CD1-CE3 4.07Å; L410-W424 HydrophobicContact CD1-CH2 3.41Å; L410-W424 VanDerWaalsContact CD1-CH2 3.41Å; L410-W424 HydrophobicContact CD1-CZ2 3.53Å; L410-W424 HydrophobicContact CD1-CZ3 3.7Å; L410-W424 HydrophobicContact CD2-CD2 3.98Å; L410-W424 HydrophobicContact CD2-CG 4.26Å; L410-W424 HydrophobicContact CD2-CZ2 4Å; L410-W424 HydrophobicContact CG-CZ2 4.39Å; L410-Y427 HydrophobicContact CD1-CD1 4.43Å |
| 411 | A | 93.2 | Very high | 93.6 | Very high | 85 Ų | 85 | 43.9 Ų | 43.9 | 70% | 0.702 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -79.6 | -8.8 | 175 | 0 | 0 | 0 | 0 | 0 | 114.3 | E407 T408 A409 G413 | E407-A411 PolarHBondContact O-N 3.37Å; E407-A411 VanDerWaalsContact O-N 3.08Å; T408-A411 PolarHBondContact O-N 3.18Å; A409-A411 PolarHBondContact O-N 3.34Å; A411-G413 PolarHBondContact O-N 2.94Å |
| 412 | A | 91 | Very high | 93.5 | Very high | 36 Ų | 36 | 43.6 Ų | 43.6 | 30% | 0.298 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -11.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | P357 T408 A409 L410 F414 | P357-A412 HydrophobicContact CB-CB 4.24Å; T408-A412 PolarHBondContact O-N 3.07Å; T408-A412 VanDerWaalsContact O-N 3.16Å; A409-A412 WeakPolarHBondContact O-CB 3.37Å; A409-A412 PolarHBondContact O-N 2.95Å; L410-A412 VanDerWaalsContact C-N 3.34Å; A412-F414 HydrophobicContact CB-CE2 4.46Å; A412-F414 HydrophobicContact CB-CZ 4.35Å |
| 413 | G | 86.8 | Confident | 93.5 | Very high | 61 Ų | 61 | 43.6 Ų | 43.6 | 63% | 0.629 | 27% | 0.274 | S | S | * | . | trans | 75.7 | 49.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | A411 | A411-G413 PolarHBondContact O-N 2.94Š| ||
| 414 | F | 91 | Very high | 93.4 | Very high | 24 Ų | 24 | 43.3 Ų | 43.3 | 11% | 0.105 | 27% | 0.271 | C | S | . | . | trans | -58.3 | 137.8 | 177.8 | -58.9 | -75.4 | 0 | 0 | 0 | 112.8 | P357 W358 V360 W363 A409 A412 D419 V420 I423 | P357-F414 WeakPolarHBondContact O-CE1 3.41Å; W358-F414 WeakPolarHBondContact O-CD1 3.27Å; W358-F414 WeakPolarHBondContact O-CE1 3.48Å; V360-F414 HydrophobicContact CG2-CD1 3.9Å; V360-F414 HydrophobicContact CG2-CE1 3.67Å; V360-F414 HydrophobicContact CG2-CZ 4.16Å; W363-F414 AromaticContact CD1-CZ 3.77Å; A409-F414 WeakPolarHBondContact O-CE2 3.32Å; A412-F414 HydrophobicContact CB-CE2 4.46Å; A412-F414 HydrophobicContact CB-CZ 4.35Å; F414-D419 HydrophobicContact CB-CB 4.21Å; F414-D419 HydrophobicContact CD1-CB 4.37Å; F414-D419 HydrophobicContact CG-CB 4.31Å; F414-V420 HydrophobicContact CB-CG2 3.94Å; F414-V420 HydrophobicContact CD2-CG2 3.99Å; F414-V420 HydrophobicContact CG-CG2 4.42Å; F414-I423 HydrophobicContact CE2-CD1 4.48Å; F414-I423 HydrophobicContact CE2-CG1 3.74Å; F414-I423 HydrophobicContact CZ-CD1 4.25Å; F414-I423 HydrophobicContact CZ-CG1 3.98Å | ||
| 415 | T | 88.3 | Confident | 93.4 | Very high | 146 Ų | 146 | 47.2 Ų | 47.2 | 90% | 0.896 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -74.6 | -31.2 | -180 | 54.2 | 0 | 0 | 0 | 0 | 113.2 | ||
| 416 | N | 88.2 | Confident | 93.4 | Very high | 60 Ų | 60 | 47.1 Ų | 47.1 | 32% | 0.321 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -100.7 | 122.9 | -178.7 | -179 | 0.9 | 0 | 0 | 0 | 110.5 | N418 D419 | N416-N418 PolarHBondContact O-N 3.47Å; N416-N418 VanDerWaalsContact O-N 3.15Å; N416-N418 WeakPolarHBondContact OD1-CB 3.41Å; N416-N418 PolarHBondContact OD1-N 3.23Å; N416-N418 PolarHBondContact OD1-ND2 3.31Å; N416-D419 HydrophobicContact CB-CB 4.24Å; N416-D419 WeakPolarHBondContact CB-OD2 3.22Å; N416-D419 VanDerWaalsContact O-CB 3.32Å; N416-D419 WeakPolarHBondContact O-CB 3.28Å; N416-D419 PolarHBondContact O-N 2.74Å |
| 417 | P | 87.5 | Confident | 93.4 | Very high | 31 Ų | 31 | 47.4 Ų | 47.4 | 20% | 0.201 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.9 | -32.1 | 176.8 | -27.8 | 35.7 | 0 | 0 | 0 | 114.3 | D419 V420 L421 L467 | P417-D419 PolarHBondContact O-N 2.91Å; P417-V420 PolarHBondContact O-N 2.81Å; P417-L421 WeakPolarHBondContact O-CG 3.31Å; P417-L421 PolarHBondContact O-N 2.89Å; P417-L421 VanDerWaalsContact O-N 3.11Å; P417-L467 HydrophobicContact CB-CD1 4.44Å; P417-L467 HydrophobicContact CB-CD2 3.48Å; P417-L467 VanDerWaalsContact CB-CD2 3.48Å; P417-L467 HydrophobicContact CB-CG 4.14Å; P417-L467 HydrophobicContact CG-CD2 4.19Å |
| 418 | N | 88.4 | Confident | 93.4 | Very high | 73 Ų | 73 | 43.9 Ų | 43.9 | 39% | 0.39 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.8 | -27.5 | 177.3 | -70.4 | -63.9 | 0 | 0 | 0 | 112.8 | N416 L421 K422 | N416-N418 PolarHBondContact O-N 3.47Å; N416-N418 VanDerWaalsContact O-N 3.15Å; N416-N418 WeakPolarHBondContact OD1-CB 3.41Å; N416-N418 PolarHBondContact OD1-N 3.23Å; N416-N418 PolarHBondContact OD1-ND2 3.31Å; N418-L421 PolarHBondContact O-N 3Å; N418-K422 WeakPolarHBondContact O-CG 3.29Å; N418-K422 PolarHBondContact O-N 3.36Å |
| 419 | D | 92.2 | Very high | 93.4 | Very high | 31 Ų | 31 | 42.4 Ų | 42.4 | 17% | 0.166 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -71.9 | -38.4 | 178.3 | -77.2 | -22.6 | 0 | 0 | 0 | 110.8 | V360 F414 N416 P417 L421 K422 I423 | V360-D419 HydrophobicContact CG2-CB 3.3Å; F414-D419 HydrophobicContact CB-CB 4.21Å; F414-D419 HydrophobicContact CD1-CB 4.37Å; F414-D419 HydrophobicContact CG-CB 4.31Å; N416-D419 HydrophobicContact CB-CB 4.24Å; N416-D419 WeakPolarHBondContact CB-OD2 3.22Å; N416-D419 VanDerWaalsContact O-CB 3.32Å; N416-D419 WeakPolarHBondContact O-CB 3.28Å; N416-D419 PolarHBondContact O-N 2.74Å; P417-D419 PolarHBondContact O-N 2.91Å; D419-L421 VanDerWaalsContact C-N 3.35Å; D419-L421 PolarHBondContact O-N 3.19Å; D419-K422 WeakPolarHBondContact O-CB 3.43Å; D419-K422 PolarHBondContact O-N 2.8Å; D419-K422 IonicContact OD1-NZ 2.7Å; D419-K422 PolarHBondContact OD1-NZ 2.92Å; D419-I423 PolarHBondContact O-N 2.97Å |
| 420 | V | 93.1 | Very high | 93.4 | Very high | 11 Ų | 11 | 42.4 Ų | 42.4 | 7% | 0.067 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.5 | -41.4 | 169.3 | -168.8 | 0 | 0 | 0 | 0 | 111.3 | L410 F414 P417 K422 I423 W424 Y462 | L410-V420 HydrophobicContact CD2-CG1 3.79Å; F414-V420 HydrophobicContact CB-CG2 3.94Å; F414-V420 HydrophobicContact CD2-CG2 3.99Å; F414-V420 HydrophobicContact CG-CG2 4.42Å; P417-V420 PolarHBondContact O-N 2.81Å; V420-K422 VanDerWaalsContact C-N 3.31Å; V420-K422 PolarHBondContact O-N 3.24Å; V420-I423 WeakPolarHBondContact O-CB 3.23Å; V420-I423 PolarHBondContact O-N 3.3Å; V420-I423 VanDerWaalsContact O-N 3.15Å; V420-W424 PolarHBondContact O-N 3.31Å; V420-Y462 HydrophobicContact CB-CE1 3.78Å; V420-Y462 WeakPolarHBondContact CB-OH 3.41Å; V420-Y462 HydrophobicContact CG1-CD1 4.14Å; V420-Y462 HydrophobicContact CG1-CD2 4.5Å; V420-Y462 HydrophobicContact CG1-CE1 3.57Å; V420-Y462 HydrophobicContact CG1-CE2 3.99Å; V420-Y462 VanDerWaalsContact CG1-CZ 3.5Å; V420-Y462 WeakPolarHBondContact CG2-OH 3.45Å |
| 421 | L | 92.5 | Very high | 93.5 | Very high | 12 Ų | 12 | 41 Ų | 41 | 6% | 0.063 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.6 | -35.6 | 176.4 | -65.6 | -178.6 | 0 | 0 | 0 | 113 | P417 N418 D419 I423 W424 R425 Y462 C463 L467 D474 | P417-L421 WeakPolarHBondContact O-CG 3.31Å; P417-L421 PolarHBondContact O-N 2.89Å; P417-L421 VanDerWaalsContact O-N 3.11Å; N418-L421 PolarHBondContact O-N 3Å; D419-L421 VanDerWaalsContact C-N 3.35Å; D419-L421 PolarHBondContact O-N 3.19Å; L421-I423 VanDerWaalsContact C-N 3.35Å; L421-W424 PolarHBondContact O-N 3.16Å; L421-R425 VanDerWaalsContact O-CB 3.29Å; L421-R425 WeakPolarHBondContact O-CB 3.17Å; L421-R425 PolarHBondContact O-N 3.3Å; L421-Y462 HydrophobicContact CD2-CD1 4.3Å; L421-Y462 HydrophobicContact CD2-CE1 4.37Å; L421-C463 WeakPolarHBondContact CD2-SG 3.44Å; L421-L467 HydrophobicContact CD1-CD1 3.86Å; L421-L467 HydrophobicContact CD2-CD1 3.87Å; L421-L467 HydrophobicContact CG-CD1 4.03Å; L421-D474 HydrophobicContact CD1-CB 4.11Å |
| 422 | K | 95.1 | Very high | 93.7 | Very high | 96 Ų | 96 | 38.1 Ų | 38.1 | 42% | 0.417 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65.1 | -38.3 | 173.9 | -72.6 | 171.1 | -168.2 | 162.4 | 0 | 111.9 | V360 Q364 N418 D419 V420 S426 | V360-K422 HydrophobicContact CG1-CB 3.73Å; V360-K422 HydrophobicContact CG1-CD 4.03Å; Q364-K422 PolarHBondContact NE2-O 2.94Å; N418-K422 WeakPolarHBondContact O-CG 3.29Å; N418-K422 PolarHBondContact O-N 3.36Å; D419-K422 WeakPolarHBondContact O-CB 3.43Å; D419-K422 PolarHBondContact O-N 2.8Å; D419-K422 IonicContact OD1-NZ 2.7Å; D419-K422 PolarHBondContact OD1-NZ 2.92Å; V420-K422 VanDerWaalsContact C-N 3.31Å; V420-K422 PolarHBondContact O-N 3.24Å; K422-S426 WeakPolarHBondContact O-CB 3.3Å; K422-S426 PolarHBondContact O-N 3.3Å |
| 423 | I | 97.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.5 | -51.2 | 173.7 | -63.8 | -61.8 | 0 | 0 | 0 | 110 | V360 W363 Q364 Y406 A409 L410 F414 D419 V420 L421 R425 S426 Y427 | V360-I423 HydrophobicContact CB-CD1 4.5Å; V360-I423 HydrophobicContact CG1-CD1 3.78Å; V360-I423 HydrophobicContact CG1-CG1 4.15Å; W363-I423 HydrophobicContact CB-CD1 3.8Å; Q364-I423 HydrophobicContact CG-CD1 4.24Å; Y406-I423 HydrophobicContact CD1-CG2 4.12Å; A409-I423 HydrophobicContact CB-CD1 4.17Å; A409-I423 HydrophobicContact CB-CG2 4.1Å; L410-I423 HydrophobicContact CD2-CB 4.18Å; L410-I423 HydrophobicContact CD2-CG2 3.66Å; L410-I423 HydrophobicContact CG-CG2 3.81Å; F414-I423 HydrophobicContact CE2-CD1 4.48Å; F414-I423 HydrophobicContact CE2-CG1 3.74Å; F414-I423 HydrophobicContact CZ-CD1 4.25Å; F414-I423 HydrophobicContact CZ-CG1 3.98Å; D419-I423 PolarHBondContact O-N 2.97Å; V420-I423 WeakPolarHBondContact O-CB 3.23Å; V420-I423 PolarHBondContact O-N 3.3Å; V420-I423 VanDerWaalsContact O-N 3.15Å; L421-I423 VanDerWaalsContact C-N 3.35Å; I423-R425 VanDerWaalsContact C-N 3.3Å; I423-R425 PolarHBondContact O-N 2.88Å; I423-S426 WeakPolarHBondContact O-CB 3.46Å; I423-S426 PolarHBondContact O-N 3.46Å; I423-S426 VanDerWaalsContact O-N 3.11Å; I423-Y427 WeakPolarHBondContact O-CB 3.39Å; I423-Y427 PolarHBondContact O-N 3.35Å |
| 424 | W | 96.6 | Very high | 94.2 | Very high | 17 Ų | 17 | 37.7 Ų | 37.7 | 6% | 0.064 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -56.4 | -42.7 | 177.1 | -81.9 | 125.7 | 0 | 0 | 0 | 113.3 | L410 V420 L421 Y427 C428 T455 R458 A459 Y462 L477 | L410-W424 HydrophobicContact CD1-CD2 4.18Å; L410-W424 HydrophobicContact CD1-CE3 4.07Å; L410-W424 HydrophobicContact CD1-CH2 3.41Å; L410-W424 VanDerWaalsContact CD1-CH2 3.41Å; L410-W424 HydrophobicContact CD1-CZ2 3.53Å; L410-W424 HydrophobicContact CD1-CZ3 3.7Å; L410-W424 HydrophobicContact CD2-CD2 3.98Å; L410-W424 HydrophobicContact CD2-CG 4.26Å; L410-W424 HydrophobicContact CD2-CZ2 4Å; L410-W424 HydrophobicContact CG-CZ2 4.39Å; V420-W424 PolarHBondContact O-N 3.31Å; L421-W424 PolarHBondContact O-N 3.16Å; W424-Y427 HydrophobicContact CE3-CD1 4.06Å; W424-Y427 AromaticContact CZ3-CD1 3.86Å; W424-Y427 HydrophobicContact CZ3-CD1 3.86Å; W424-Y427 HydrophobicContact CZ3-CE1 4.29Å; W424-Y427 PolarHBondContact O-N 3.46Å; W424-C428 PolarHBondContact O-N 3.03Å; W424-C428 PolarHBondContact O-SG 3.36Å; W424-T455 HydrophobicContact CE3-CG2 4.3Å; W424-T455 HydrophobicContact CZ3-CG2 4.2Å; W424-R458 HydrophobicContact CH2-CB 3.7Å; W424-R458 HydrophobicContact CZ2-CB 4.4Å; W424-R458 HydrophobicContact CZ3-CB 4.09Å; W424-A459 HydrophobicContact CB-CB 3.76Å; W424-A459 HydrophobicContact CD2-CB 3.43Å; W424-A459 VanDerWaalsContact CD2-CB 3.43Å; W424-A459 HydrophobicContact CE3-CB 3.57Å; W424-A459 HydrophobicContact CG-CB 3.54Å; W424-A459 HydrophobicContact CZ3-CB 4.32Å; W424-Y462 AromaticContact CD1-CD1 3.9Å; W424-Y462 AromaticContact NE1-CD1 3.69Å; W424-Y462 AromaticContact NE1-CG 3.6Å; W424-L477 HydrophobicContact CB-CD2 4.25Å |
| 425 | R | 96.3 | Very high | 94.3 | Very high | 112 Ų | 112 | 36.9 Ų | 36.9 | 42% | 0.423 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62.3 | -46.9 | 176.6 | -174.7 | 177.9 | -175.5 | 128.6 | 3.7 | 111.5 | L421 I423 Y427 C428 D429 L477 | L421-R425 VanDerWaalsContact O-CB 3.29Å; L421-R425 WeakPolarHBondContact O-CB 3.17Å; L421-R425 PolarHBondContact O-N 3.3Å; I423-R425 VanDerWaalsContact C-N 3.3Å; I423-R425 PolarHBondContact O-N 2.88Å; R425-Y427 VanDerWaalsContact C-N 3.26Å; R425-Y427 PolarHBondContact O-N 3.11Å; R425-C428 PolarHBondContact O-N 3.47Å; R425-D429 PolarHBondContact O-N 3.17Å; R425-L477 HydrophobicContact CB-CD1 4.26Å |
| 426 | S | 97.8 | Very high | 94.5 | Very high | 8 Ų | 8 | 32.9 Ų | 32.9 | 6% | 0.056 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.7 | -39 | 176.5 | -173.4 | 0 | 0 | 0 | 0 | 111.4 | Y406 K422 I423 D429 H430 | Y406-S426 WeakPolarHBondContact CE1-OG 3.44Å; Y406-S426 PolarHBondContact OH-O 3.46Å; Y406-S426 VanDerWaalsContact OH-O 3.14Å; Y406-S426 PolarHBondContact OH-OG 2.84Å; K422-S426 WeakPolarHBondContact O-CB 3.3Å; K422-S426 PolarHBondContact O-N 3.3Å; I423-S426 WeakPolarHBondContact O-CB 3.46Å; I423-S426 PolarHBondContact O-N 3.46Å; I423-S426 VanDerWaalsContact O-N 3.11Å; S426-D429 WeakPolarHBondContact O-CB 3.41Å; S426-D429 PolarHBondContact O-N 2.93Å; S426-H430 PolarHBondContact O-N 3.28Å |
| 427 | Y | 98.3 | Very high | 94.6 | Very high | 7 Ų | 7 | 34.7 Ų | 34.7 | 3% | 0.027 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.9 | -43.1 | 177.6 | -165.4 | -176.3 | 0 | 0 | 0 | 112.2 | D403 Y406 E407 L410 I423 W424 R425 D429 H430 H431 T455 R458 | D403-Y427 HydrophobicContact CB-CE2 4.5Å; D403-Y427 VanDerWaalsContact OD1-CE2 3.23Å; D403-Y427 WeakPolarHBondContact OD1-CE2 3.34Å; D403-Y427 PolarHBondContact OD1-OH 3.22Å; Y406-Y427 HydrophobicContact CD1-CG 4.14Å; Y406-Y427 AromaticContact CD2-CD2 3.35Å; Y406-Y427 HydrophobicContact CD2-CD2 3.35Å; Y406-Y427 AromaticContact CD2-CE2 3.84Å; Y406-Y427 HydrophobicContact CD2-CE2 3.84Å; Y406-Y427 AromaticContact CD2-CG 3.78Å; Y406-Y427 HydrophobicContact CD2-CG 3.78Å; Y406-Y427 AromaticContact CE2-CD2 3.93Å; Y406-Y427 HydrophobicContact CE2-CD2 3.93Å; Y406-Y427 HydrophobicContact CE2-CG 4.43Å; Y406-Y427 HydrophobicContact CG-CD1 4.09Å; Y406-Y427 AromaticContact CG-CD2 3.7Å; Y406-Y427 HydrophobicContact CG-CD2 3.7Å; Y406-Y427 HydrophobicContact CG-CE2 4.28Å; Y406-Y427 AromaticContact CG-CG 3.6Å; Y406-Y427 HydrophobicContact CG-CG 3.6Å; E407-Y427 WeakPolarHBondContact OE1-CE1 3.31Å; E407-Y427 PolarHBondContact OE1-OH 3.02Å; L410-Y427 HydrophobicContact CD1-CD1 4.43Å; I423-Y427 WeakPolarHBondContact O-CB 3.39Å; I423-Y427 PolarHBondContact O-N 3.35Å; W424-Y427 HydrophobicContact CE3-CD1 4.06Å; W424-Y427 AromaticContact CZ3-CD1 3.86Å; W424-Y427 HydrophobicContact CZ3-CD1 3.86Å; W424-Y427 HydrophobicContact CZ3-CE1 4.29Å; W424-Y427 PolarHBondContact O-N 3.46Å; R425-Y427 VanDerWaalsContact C-N 3.26Å; R425-Y427 PolarHBondContact O-N 3.11Å; Y427-D429 VanDerWaalsContact C-N 3.3Å; Y427-D429 PolarHBondContact O-N 3.41Å; Y427-H430 WeakPolarHBondContact O-CB 3.43Å; Y427-H430 PolarHBondContact O-N 2.79Å; Y427-H431 AromaticContact CD2-NE2 3.86Å; Y427-H431 AromaticContact CE2-CD2 3.8Å; Y427-H431 AromaticContact CE2-CE1 3.83Å; Y427-H431 AromaticContact CE2-NE2 3.17Å; Y427-H431 WeakPolarHBondContact CE2-NE2 3.23Å; Y427-H431 AromaticContact CZ-NE2 3.72Å; Y427-H431 PolarHBondContact O-N 3.14Å; Y427-T455 HydrophobicContact CD1-CG2 3.67Å; Y427-T455 HydrophobicContact CD2-CG2 4.05Å; Y427-T455 HydrophobicContact CE1-CG2 4.05Å; Y427-T455 HydrophobicContact CE2-CG2 4.37Å; Y427-T455 HydrophobicContact CG-CG2 3.67Å; Y427-R458 PolarHBondContact OH-NH2 2.94Å |
| 428 | C | 98 | Very high | 94.6 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61 | -41 | 171.3 | -64.7 | 0 | 0 | 0 | 0 | 111.3 | W424 R425 H430 H431 F432 L452 F456 Y480 | W424-C428 PolarHBondContact O-N 3.03Å; W424-C428 PolarHBondContact O-SG 3.36Å; R425-C428 PolarHBondContact O-N 3.47Å; C428-H430 VanDerWaalsContact C-N 3.3Å; C428-H430 PolarHBondContact O-N 3.3Å; C428-H431 PolarHBondContact O-N 2.87Å; C428-F432 WeakPolarHBondContact O-CB 3.38Å; C428-F432 PolarHBondContact O-N 2.93Å; C428-L452 WeakPolarHBondContact O-CD1 3.41Å; C428-F456 HydrophobicContact CB-CD1 4.16Å; C428-F456 HydrophobicContact CB-CE1 3.7Å; C428-F456 HydrophobicContact CB-CE2 4.3Å; C428-F456 HydrophobicContact CB-CZ 3.78Å; C428-F456 WeakPolarHBondContact SG-CD1 3.36Å; C428-F456 VanDerWaalsContact SG-CE1 3.6Å; C428-Y480 HydrophobicContact CB-CE1 4.05Å |
| 429 | D | 97.9 | Very high | 94.5 | Very high | 45 Ų | 45 | 36.9 Ų | 36.9 | 24% | 0.241 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.4 | -36.2 | 176.9 | -67.4 | -23.5 | 0 | 0 | 0 | 112 | R425 S426 Y427 F432 R433 Y480 | R425-D429 PolarHBondContact O-N 3.17Å; S426-D429 WeakPolarHBondContact O-CB 3.41Å; S426-D429 PolarHBondContact O-N 2.93Å; Y427-D429 VanDerWaalsContact C-N 3.3Å; Y427-D429 PolarHBondContact O-N 3.41Å; D429-F432 PolarHBondContact O-N 3.48Å; D429-R433 WeakPolarHBondContact O-CB 3.47Å; D429-R433 VanDerWaalsContact O-CG 3.27Å; D429-R433 WeakPolarHBondContact O-CG 3.48Å; D429-R433 PolarHBondContact O-N 3.14Å; D429-R433 PolarHBondContact O-NH1 3.43Å; D429-Y480 WeakPolarHBondContact OD1-CE1 3.46Å; D429-Y480 PolarHBondContact OD1-OH 3.4Å |
| 430 | H | 97 | Very high | 94.2 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.9 | -57.1 | 174.9 | 169.5 | 71.5 | 0 | 0 | 0 | 112.1 | E371 F399 D403 Y406 S426 Y427 C428 F432 R433 R434 | E371-H430 VanDerWaalsContact CD-ND1 3.33Å; E371-H430 IonicContact OE1-ND1 3.28Å; E371-H430 IonicContact OE2-CE1 3.5Å; E371-H430 IonicContact OE2-CG 2.9Å; E371-H430 IonicContact OE2-ND1 3.36Å; E371-H430 PolarHBondContact OE2-ND1 3.04Å; F399-H430 AromaticContact CD1-CE1 3.84Å; D403-H430 IonicContact OD1-CD2 2.77Å; D403-H430 IonicContact OD1-NE2 3.9Å; Y406-H430 HydrophobicContact CE2-CB 3.74Å; S426-H430 PolarHBondContact O-N 3.28Å; Y427-H430 WeakPolarHBondContact O-CB 3.43Å; Y427-H430 PolarHBondContact O-N 2.79Å; C428-H430 VanDerWaalsContact C-N 3.3Å; C428-H430 PolarHBondContact O-N 3.3Å; H430-F432 PolarHBondContact O-N 3.11Å; H430-R433 VanDerWaalsContact CA-NH2 3.29Å; H430-R433 PolarHBondContact O-N 3.36Å; H430-R434 WeakPolarHBondContact CE1-CD 3.43Å; H430-R434 VanDerWaalsContact NE2-CD 3.31Å; H430-R434 WeakPolarHBondContact NE2-CD 3.4Å; H430-R434 PolarHBondContact NE2-NH1 2.94Å; H430-R434 WeakPolarHBondContact O-CG 3.21Å; H430-R434 PolarHBondContact O-N 3.46Å; H430-R434 VanDerWaalsContact O-N 3.16Å |
| 431 | H | 97 | Very high | 94 | Very high | 6 Ų | 6 | 43.6 Ų | 43.6 | 3% | 0.028 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.5 | -36 | 177.7 | -68.8 | -52.2 | 0 | 0 | 0 | 111.9 | D403 Y427 C428 R434 L435 L452 T455 | D403-H431 IonicContact OD1-CE1 3.54Å; D403-H431 PolarHBondContact OD1-CE1 3.11Å; D403-H431 IonicContact OD1-NE2 3.43Å; Y427-H431 AromaticContact CD2-NE2 3.86Å; Y427-H431 AromaticContact CE2-CD2 3.8Å; Y427-H431 AromaticContact CE2-CE1 3.83Å; Y427-H431 AromaticContact CE2-NE2 3.17Å; Y427-H431 WeakPolarHBondContact CE2-NE2 3.23Å; Y427-H431 AromaticContact CZ-NE2 3.72Å; Y427-H431 PolarHBondContact O-N 3.14Å; C428-H431 PolarHBondContact O-N 2.87Å; H431-R434 PolarHBondContact O-N 2.87Å; H431-L435 WeakPolarHBondContact O-CB 3.41Å; H431-L435 PolarHBondContact O-N 3.11Å; H431-L452 HydrophobicContact CB-CB 3.96Å; H431-L452 HydrophobicContact CB-CD1 3.69Å; H431-L452 HydrophobicContact CB-CG 4.42Å; H431-T455 PolarHBondContact CD2-OG1 3.13Å; H431-T455 PolarHBondContact NE2-OG1 2.76Å |
| 432 | F | 97.3 | Very high | 93.7 | Very high | 25 Ų | 25 | 44.9 Ų | 44.9 | 11% | 0.11 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.2 | -44.4 | 179.8 | -178.2 | -117.5 | 0 | 0 | 0 | 112.5 | C428 D429 H430 R434 L435 C436 L452 Y480 V484 Y488 | C428-F432 WeakPolarHBondContact O-CB 3.38Å; C428-F432 PolarHBondContact O-N 2.93Å; D429-F432 PolarHBondContact O-N 3.48Å; H430-F432 PolarHBondContact O-N 3.11Å; F432-R434 VanDerWaalsContact C-N 3.28Å; F432-R434 PolarHBondContact O-N 3.29Å; F432-L435 PolarHBondContact O-N 2.92Å; F432-C436 VanDerWaalsContact CE2-SG 3.58Å; F432-C436 WeakPolarHBondContact CZ-SG 3.27Å; F432-C436 PolarHBondContact O-N 2.76Å; F432-L452 HydrophobicContact CB-CD1 4.02Å; F432-L452 HydrophobicContact CB-CD2 4.27Å; F432-L452 HydrophobicContact CD2-CD2 3.96Å; F432-Y480 WeakPolarHBondContact CD1-OH 3.46Å; F432-V484 HydrophobicContact CD2-CG1 3.84Å; F432-V484 HydrophobicContact CD2-CG2 4.17Å; F432-V484 HydrophobicContact CE2-CG1 3.79Å; F432-V484 HydrophobicContact CE2-CG2 4.07Å; F432-V484 HydrophobicContact CZ-CG2 4.38Å; F432-Y488 HydrophobicContact CE1-CE2 4.38Å; F432-Y488 HydrophobicContact CE2-CD1 4.11Å; F432-Y488 AromaticContact CE2-CD2 3.81Å; F432-Y488 HydrophobicContact CE2-CD2 3.81Å; F432-Y488 HydrophobicContact CE2-CE2 4.25Å; F432-Y488 AromaticContact CE2-CG 3.74Å; F432-Y488 HydrophobicContact CE2-CG 3.74Å; F432-Y488 AromaticContact CZ-CD1 3.85Å; F432-Y488 HydrophobicContact CZ-CD1 3.85Å; F432-Y488 AromaticContact CZ-CD2 3.54Å; F432-Y488 HydrophobicContact CZ-CD2 3.54Å; F432-Y488 AromaticContact CZ-CE1 3.8Å; F432-Y488 HydrophobicContact CZ-CE1 3.8Å; F432-Y488 AromaticContact CZ-CE2 3.49Å; F432-Y488 HydrophobicContact CZ-CE2 3.49Å; F432-Y488 VanDerWaalsContact CZ-CE2 3.49Å; F432-Y488 AromaticContact CZ-CG 3.72Å; F432-Y488 HydrophobicContact CZ-CG 3.72Å; F432-Y488 AromaticContact CZ-CZ 3.63Å |
| 433 | R | 96.2 | Very high | 93.3 | Very high | 78 Ų | 78 | 48.5 Ų | 48.5 | 29% | 0.294 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -54.5 | -47.1 | 172.8 | -79.2 | -174.5 | -60.5 | -90.1 | 5.5 | 110.7 | L368 E371 D429 H430 C436 L437 | L368-R433 VanDerWaalsContact CD2-NH2 3.3Å; E371-R433 IonicContact OE1-NE 2.96Å; E371-R433 PolarHBondContact OE1-NE 3.27Å; E371-R433 IonicContact OE2-CZ 3.16Å; E371-R433 IonicContact OE2-NE 3.88Å; E371-R433 PolarHBondContact OE2-NE 3.45Å; E371-R433 IonicContact OE2-NH2 3.28Å; E371-R433 PolarHBondContact OE2-NH2 3.49Å; D429-R433 WeakPolarHBondContact O-CB 3.47Å; D429-R433 VanDerWaalsContact O-CG 3.27Å; D429-R433 WeakPolarHBondContact O-CG 3.48Å; D429-R433 PolarHBondContact O-N 3.14Å; D429-R433 PolarHBondContact O-NH1 3.43Å; H430-R433 VanDerWaalsContact CA-NH2 3.29Å; H430-R433 PolarHBondContact O-N 3.36Å; R433-C436 PolarHBondContact O-N 2.89Å; R433-L437 WeakPolarHBondContact O-CG 3.5Å; R433-L437 PolarHBondContact O-N 3.09Å |
| 434 | R | 92.7 | Very high | 92.8 | Very high | 9 Ų | 9 | 49 Ų | 49 | 3% | 0.034 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.4 | -37 | 179.5 | -70.8 | 177.3 | 62.4 | -152.9 | -0.2 | 113.5 | F399 H430 H431 F432 L437 | F399-R434 VanDerWaalsContact CB-NH1 3.29Å; F399-R434 VanDerWaalsContact CG-CZ 3.42Å; H430-R434 WeakPolarHBondContact CE1-CD 3.43Å; H430-R434 VanDerWaalsContact NE2-CD 3.31Å; H430-R434 WeakPolarHBondContact NE2-CD 3.4Å; H430-R434 PolarHBondContact NE2-NH1 2.94Å; H430-R434 WeakPolarHBondContact O-CG 3.21Å; H430-R434 PolarHBondContact O-N 3.46Å; H430-R434 VanDerWaalsContact O-N 3.16Å; H431-R434 PolarHBondContact O-N 2.87Å; F432-R434 VanDerWaalsContact C-N 3.28Å; F432-R434 PolarHBondContact O-N 3.29Å; R434-L437 PolarHBondContact O-N 3.49Å |
| 435 | L | 93.5 | Very high | 92.5 | Very high | 8 Ų | 8 | 50.3 Ų | 50.3 | 4% | 0.042 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 173.1 | -175.6 | 68.7 | 0 | 0 | 0 | 110.9 | H431 F432 L437 L438 W445 R448 L449 L452 | H431-L435 WeakPolarHBondContact O-CB 3.41Å; H431-L435 PolarHBondContact O-N 3.11Å; F432-L435 PolarHBondContact O-N 2.92Å; L435-L437 PolarHBondContact O-N 3.44Å; L435-L438 WeakPolarHBondContact O-CB 3.29Å; L435-L438 PolarHBondContact O-N 3.47Å; L435-W445 HydrophobicContact CD1-CG 4.28Å; L435-R448 HydrophobicContact CD1-CB 3.99Å; L435-L449 HydrophobicContact CD1-CB 4.15Å; L435-L449 HydrophobicContact CD2-CD1 4Å; L435-L452 HydrophobicContact CD2-CD2 3.74Å |
| 436 | C | 92.8 | Very high | 92.3 | Very high | 61 Ų | 61 | 52.1 Ų | 52.1 | 41% | 0.412 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -11.8 | 178.5 | -76.5 | 0 | 0 | 0 | 0 | 114.9 | F432 R433 | F432-C436 VanDerWaalsContact CE2-SG 3.58Å; F432-C436 WeakPolarHBondContact CZ-SG 3.27Å; F432-C436 PolarHBondContact O-N 2.76Å; R433-C436 PolarHBondContact O-N 2.89Å |
| 437 | L | 89 | Confident | 92 | Very high | 98 Ų | 98 | 57.1 Ų | 57.1 | 51% | 0.513 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -14.8 | 171.6 | -67.6 | 174.6 | 0 | 0 | 0 | 112.6 | L375 R433 R434 L435 | L375-L437 HydrophobicContact CD2-CD1 4.48Å; R433-L437 WeakPolarHBondContact O-CG 3.5Å; R433-L437 PolarHBondContact O-N 3.09Å; R434-L437 PolarHBondContact O-N 3.49Å; L435-L437 PolarHBondContact O-N 3.44Å |
| 438 | L | 87.3 | Confident | 91.7 | Very high | 38 Ų | 38 | 57.9 Ų | 57.9 | 20% | 0.199 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -89.8 | 149.2 | 177.6 | -69.9 | -177.5 | 0 | 0 | 0 | 112.5 | L435 S444 W445 R448 | L435-L438 WeakPolarHBondContact O-CB 3.29Å; L435-L438 PolarHBondContact O-N 3.47Å; L438-S444 VanDerWaalsContact CD1-OG 3.32Å; L438-S444 WeakPolarHBondContact CD1-OG 3.43Å; L438-W445 HydrophobicContact CD1-CB 4.39Å; L438-R448 HydrophobicContact CD1-CB 4.37Å; L438-R448 VanDerWaalsContact CD1-CD 3.44Å; L438-R448 HydrophobicContact CD1-CG 4.09Å |
| 439 | D | 86.8 | Confident | 91.6 | Very high | 112 Ų | 112 | 58.1 Ų | 58.1 | 60% | 0.599 | 30% | 0.299 | S | S | * | . | trans | -74.3 | 146.9 | 157.4 | -177 | 41.7 | 0 | 0 | 0 | 110.8 | A441 S442 | D439-A441 PolarHBondContact O-N 2.71Å; D439-A441 VanDerWaalsContact OD2-CB 3.27Å; D439-A441 WeakPolarHBondContact OD2-CB 2.92Å; D439-A441 PolarHBondContact OD2-N 3.48Å; D439-S442 WeakPolarHBondContact O-CB 3.3Å; D439-S442 PolarHBondContact O-N 3.31Å | ||
| 440 | K | 85.9 | Confident | 91.5 | Very high | 96 Ų | 96 | 58.8 Ų | 58.8 | 42% | 0.417 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -24.3 | 179.9 | -71.4 | -170.6 | 177 | -167.4 | 0 | 112.5 | S442 Y488 E490 | K440-S442 VanDerWaalsContact C-N 3.26Å; K440-S442 PolarHBondContact O-N 3.33Å; K440-Y488 VanDerWaalsContact CE-O 3.27Å; K440-Y488 WeakPolarHBondContact CE-O 3.44Å; K440-Y488 PolarHBondContact NZ-O 3.03Å; K440-E490 VanDerWaalsContact NZ-CD 3.27Å; K440-E490 IonicContact NZ-OE1 2.71Å; K440-E490 PolarHBondContact NZ-OE1 3.29Å |
| 441 | A | 88 | Confident | 91.4 | Very high | 88 Ų | 88 | 60.9 Ų | 60.9 | 73% | 0.727 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -2.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | D439 L443 | D439-A441 PolarHBondContact O-N 2.71Å; D439-A441 VanDerWaalsContact OD2-CB 3.27Å; D439-A441 WeakPolarHBondContact OD2-CB 2.92Å; D439-A441 PolarHBondContact OD2-N 3.48Å; A441-L443 PolarHBondContact O-N 3.28Å |
| 442 | S | 87.8 | Confident | 91.4 | Very high | 39 Ų | 39 | 60.6 Ų | 60.6 | 27% | 0.273 | 32% | 0.317 | S | S | . | . | trans | -64.3 | 133.5 | 177.2 | -177.2 | 0 | 0 | 0 | 0 | 111 | D439 K440 S444 W445 | D439-S442 WeakPolarHBondContact O-CB 3.3Å; D439-S442 PolarHBondContact O-N 3.31Å; K440-S442 VanDerWaalsContact C-N 3.26Å; K440-S442 PolarHBondContact O-N 3.33Å; S442-S444 PolarHBondContact O-N 3.34Å; S442-S444 PolarHBondContact OG-N 3.27Å; S442-S444 PolarHBondContact OG-OG 2.96Å; S442-S444 VanDerWaalsContact OG-OG 3.08Å; S442-W445 VanDerWaalsContact O-CB 3.24Å; S442-W445 WeakPolarHBondContact O-CB 3.37Å; S442-W445 PolarHBondContact O-N 3.42Å | ||
| 443 | L | 85.1 | Confident | 91.4 | Very high | 172 Ų | 172 | 61.8 Ų | 61.8 | 90% | 0.901 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -24.7 | 175.1 | -173.7 | 63.9 | 0 | 0 | 0 | 113 | A441 | A441-L443 PolarHBondContact O-N 3.28Š|
| 444 | S | 86.7 | Confident | 91.4 | Very high | 9 Ų | 9 | 60.7 Ų | 60.7 | 6% | 0.063 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -4 | 178.9 | 65.8 | 0 | 0 | 0 | 0 | 114.8 | L438 S442 E446 Y447 R448 | L438-S444 VanDerWaalsContact CD1-OG 3.32Å; L438-S444 WeakPolarHBondContact CD1-OG 3.43Å; S442-S444 PolarHBondContact O-N 3.34Å; S442-S444 PolarHBondContact OG-N 3.27Å; S442-S444 PolarHBondContact OG-OG 2.96Å; S442-S444 VanDerWaalsContact OG-OG 3.08Å; S444-E446 PolarHBondContact O-N 2.8Å; S444-Y447 PolarHBondContact O-N 3.22Å; S444-R448 WeakPolarHBondContact O-CG 3.37Å; S444-R448 PolarHBondContact O-N 2.96Å |
| 445 | W | 91.9 | Very high | 91.7 | Very high | 45 Ų | 45 | 60.4 Ų | 60.4 | 17% | 0.17 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.1 | -46.1 | -177.5 | -178.2 | 88.4 | 0 | 0 | 0 | 111.6 | L435 L438 S442 Y447 R448 L449 V489 | L435-W445 HydrophobicContact CD1-CG 4.28Å; L438-W445 HydrophobicContact CD1-CB 4.39Å; S442-W445 VanDerWaalsContact O-CB 3.24Å; S442-W445 WeakPolarHBondContact O-CB 3.37Å; S442-W445 PolarHBondContact O-N 3.42Å; W445-Y447 PolarHBondContact O-N 2.88Å; W445-R448 PolarHBondContact O-N 3.25Å; W445-L449 HydrophobicContact CE3-CD2 4.31Å; W445-L449 HydrophobicContact CH2-CD2 3.37Å; W445-L449 HydrophobicContact CZ2-CD2 3.85Å; W445-L449 HydrophobicContact CZ3-CD2 3.62Å; W445-L449 VanDerWaalsContact O-CB 3.26Å; W445-L449 WeakPolarHBondContact O-CB 3.49Å; W445-L449 PolarHBondContact O-N 3.38Å; W445-V489 HydrophobicContact CH2-CG1 4.06Å; W445-V489 HydrophobicContact CZ2-CG1 4.37Å |
| 446 | E | 91.9 | Very high | 91.8 | Very high | 150 Ų | 150 | 60 Ų | 60 | 70% | 0.701 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -63.7 | -41.4 | 179.1 | -66.4 | -172.9 | 170.1 | 0 | 0 | 112.4 | S444 L449 S450 | S444-E446 PolarHBondContact O-N 2.8Å; E446-L449 PolarHBondContact O-N 3.07Å; E446-S450 PolarHBondContact O-N 3.47Å |
| 447 | Y | 91.8 | Very high | 92 | Very high | 113 Ų | 113 | 58.7 Ų | 58.7 | 44% | 0.443 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.1 | -45.2 | 176.1 | 173.1 | -104.7 | 0 | 0 | 0 | 111.9 | S444 W445 L449 S450 L451 | S444-Y447 PolarHBondContact O-N 3.22Å; W445-Y447 PolarHBondContact O-N 2.88Å; Y447-L449 VanDerWaalsContact C-N 3.31Å; Y447-L449 PolarHBondContact O-N 3.39Å; Y447-S450 PolarHBondContact O-N 3.17Å; Y447-S450 PolarHBondContact O-OG 2.8Å; Y447-L451 HydrophobicContact CD1-CD1 4.32Å; Y447-L451 HydrophobicContact CE1-CD1 3.69Å; Y447-L451 HydrophobicContact CE1-CG 4.41Å; Y447-L451 HydrophobicContact CE2-CD2 4.49Å; Y447-L451 HydrophobicContact CE2-CG 4.46Å; Y447-L451 WeakPolarHBondContact O-CG 3.37Å; Y447-L451 PolarHBondContact O-N 3.36Å; Y447-L451 VanDerWaalsContact O-N 3.11Å |
| 448 | R | 91.8 | Very high | 92.3 | Very high | 23 Ų | 23 | 58 Ų | 58 | 9% | 0.087 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.5 | -34.7 | 177.2 | -66.2 | -166.2 | -163.1 | 167.2 | -1 | 112 | E395 L435 L438 S444 W445 L451 L452 | E395-R448 IonicContact OE2-NH2 3.44Å; E395-R448 PolarHBondContact OE2-NH2 3.31Å; L435-R448 HydrophobicContact CD1-CB 3.99Å; L438-R448 HydrophobicContact CD1-CB 4.37Å; L438-R448 VanDerWaalsContact CD1-CD 3.44Å; L438-R448 HydrophobicContact CD1-CG 4.09Å; S444-R448 WeakPolarHBondContact O-CG 3.37Å; S444-R448 PolarHBondContact O-N 2.96Å; W445-R448 PolarHBondContact O-N 3.25Å; R448-L451 PolarHBondContact O-N 3.23Å; R448-L452 PolarHBondContact O-N 3.4Å |
| 449 | L | 95.4 | Very high | 92.6 | Very high | 6 Ų | 6 | 56.2 Ų | 56.2 | 3% | 0.031 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.1 | -38.1 | 173.4 | 177.6 | 59.4 | 0 | 0 | 0 | 111.6 | L435 W445 E446 Y447 L452 R453 V489 | L435-L449 HydrophobicContact CD1-CB 4.15Å; L435-L449 HydrophobicContact CD2-CD1 4Å; W445-L449 HydrophobicContact CE3-CD2 4.31Å; W445-L449 HydrophobicContact CH2-CD2 3.37Å; W445-L449 HydrophobicContact CZ2-CD2 3.85Å; W445-L449 HydrophobicContact CZ3-CD2 3.62Å; W445-L449 VanDerWaalsContact O-CB 3.26Å; W445-L449 WeakPolarHBondContact O-CB 3.49Å; W445-L449 PolarHBondContact O-N 3.38Å; E446-L449 PolarHBondContact O-N 3.07Å; Y447-L449 VanDerWaalsContact C-N 3.31Å; Y447-L449 PolarHBondContact O-N 3.39Å; L449-L452 PolarHBondContact O-N 3.47Å; L449-R453 HydrophobicContact CD1-CG 4.11Å; L449-R453 HydrophobicContact CG-CG 4.44Å; L449-R453 WeakPolarHBondContact O-CB 3.47Å; L449-R453 VanDerWaalsContact O-CG 3.23Å; L449-R453 WeakPolarHBondContact O-CG 3.46Å; L449-R453 PolarHBondContact O-N 3.23Å; L449-V489 HydrophobicContact CD1-CG1 4.37Å; L449-V489 HydrophobicContact CD1-CG2 3.59Å; L449-V489 HydrophobicContact CD2-CG1 3.7Å; L449-V489 HydrophobicContact CD2-CG2 4.36Å |
| 450 | S | 95 | Very high | 92.8 | Very high | 59 Ų | 59 | 51.7 Ų | 51.7 | 41% | 0.413 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.2 | -40 | 176.7 | 76.7 | 0 | 0 | 0 | 0 | 111.8 | E446 Y447 R453 A454 | E446-S450 PolarHBondContact O-N 3.47Å; Y447-S450 PolarHBondContact O-N 3.17Å; Y447-S450 PolarHBondContact O-OG 2.8Å; S450-R453 PolarHBondContact O-N 3.1Å; S450-A454 WeakPolarHBondContact O-CB 3.36Å; S450-A454 PolarHBondContact O-N 3.38Å |
| 451 | L | 95.1 | Very high | 93 | Very high | 43 Ų | 43 | 52.2 Ų | 52.2 | 23% | 0.225 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.4 | -48.8 | 172.5 | -66.1 | 177.3 | 0 | 0 | 0 | 112 | Y447 R448 R453 A454 T455 | Y447-L451 HydrophobicContact CD1-CD1 4.32Å; Y447-L451 HydrophobicContact CE1-CD1 3.69Å; Y447-L451 HydrophobicContact CE1-CG 4.41Å; Y447-L451 HydrophobicContact CE2-CD2 4.49Å; Y447-L451 HydrophobicContact CE2-CG 4.46Å; Y447-L451 WeakPolarHBondContact O-CG 3.37Å; Y447-L451 PolarHBondContact O-N 3.36Å; Y447-L451 VanDerWaalsContact O-N 3.11Å; R448-L451 PolarHBondContact O-N 3.23Å; L451-R453 VanDerWaalsContact C-N 3.31Å; L451-R453 PolarHBondContact O-N 3.12Å; L451-A454 PolarHBondContact O-N 3.31Å; L451-T455 PolarHBondContact O-N 3.22Å; L451-T455 PolarHBondContact O-OG1 2.9Å |
| 452 | L | 96.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.2 | -45.2 | 177.1 | 177.7 | 60.7 | 0 | 0 | 0 | 111.8 | C428 H431 F432 L435 R448 L449 T455 F456 V484 | C428-L452 WeakPolarHBondContact O-CD1 3.41Å; H431-L452 HydrophobicContact CB-CB 3.96Å; H431-L452 HydrophobicContact CB-CD1 3.69Å; H431-L452 HydrophobicContact CB-CG 4.42Å; F432-L452 HydrophobicContact CB-CD1 4.02Å; F432-L452 HydrophobicContact CB-CD2 4.27Å; F432-L452 HydrophobicContact CD2-CD2 3.96Å; L435-L452 HydrophobicContact CD2-CD2 3.74Å; R448-L452 PolarHBondContact O-N 3.4Å; L449-L452 PolarHBondContact O-N 3.47Å; L452-T455 PolarHBondContact O-N 2.88Å; L452-F456 HydrophobicContact CD1-CD2 3.8Å; L452-F456 HydrophobicContact CD1-CE2 3.51Å; L452-F456 HydrophobicContact CD1-CZ 4.45Å; L452-F456 HydrophobicContact CD2-CE2 4.36Å; L452-F456 HydrophobicContact CG-CD2 3.91Å; L452-F456 HydrophobicContact CG-CE2 3.84Å; L452-F456 WeakPolarHBondContact O-CD2 3.47Å; L452-F456 PolarHBondContact O-N 3.31Å; L452-V484 HydrophobicContact CD2-CG1 4Å |
| 453 | R | 97.3 | Very high | 92.9 | Very high | 50 Ų | 50 | 48.7 Ų | 48.7 | 19% | 0.189 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.4 | -41 | 178.6 | -73.2 | 171.4 | 161.6 | 174.3 | -6.9 | 112.1 | L449 S450 L451 T455 F456 G457 Y481 E485 D491 R494 | L449-R453 HydrophobicContact CD1-CG 4.11Å; L449-R453 HydrophobicContact CG-CG 4.44Å; L449-R453 WeakPolarHBondContact O-CB 3.47Å; L449-R453 VanDerWaalsContact O-CG 3.23Å; L449-R453 WeakPolarHBondContact O-CG 3.46Å; L449-R453 PolarHBondContact O-N 3.23Å; S450-R453 PolarHBondContact O-N 3.1Å; L451-R453 VanDerWaalsContact C-N 3.31Å; L451-R453 PolarHBondContact O-N 3.12Å; R453-T455 VanDerWaalsContact C-N 3.34Å; R453-F456 PolarHBondContact O-N 3.22Å; R453-G457 PolarHBondContact O-N 3.45Å; R453-Y481 HydrophobicContact CG-CE2 4.35Å; R453-E485 WeakPolarHBondContact CG-OE1 3.37Å; R453-E485 IonicContact CZ-OE1 2.67Å; R453-E485 IonicContact CZ-OE2 3.38Å; R453-E485 IonicContact NE-OE1 3.72Å; R453-E485 PolarHBondContact NE-OE1 2.87Å; R453-E485 IonicContact NE-OE2 3.2Å; R453-E485 IonicContact NH2-OE1 2.88Å; R453-E485 PolarHBondContact NH2-OE1 3.45Å; R453-E485 IonicContact NH2-OE2 3.24Å; R453-E485 PolarHBondContact NH2-OE2 2.99Å; R453-D491 IonicContact NH2-OD2 3.35Å; R453-D491 PolarHBondContact NH2-OD2 3.05Å; R453-R494 VanDerWaalsContact CD-NH1 3.29Å; R453-R494 VanDerWaalsContact NH2-CZ 3.3Å |
| 454 | A | 97.3 | Very high | 92.9 | Very high | 54 Ų | 54 | 43.5 Ų | 43.5 | 45% | 0.446 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.2 | -44.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | S450 L451 G457 R458 | S450-A454 WeakPolarHBondContact O-CB 3.36Å; S450-A454 PolarHBondContact O-N 3.38Å; L451-A454 PolarHBondContact O-N 3.31Å; A454-G457 PolarHBondContact O-N 3.38Å; A454-R458 WeakPolarHBondContact O-CG 3.38Å; A454-R458 PolarHBondContact O-N 3.39Å |
| 455 | T | 97.6 | Very high | 92.8 | Very high | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.018 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.9 | -42.5 | 178.2 | -61.3 | 0 | 0 | 0 | 0 | 112.3 | W424 Y427 H431 L451 L452 R453 G457 A459 | W424-T455 HydrophobicContact CE3-CG2 4.3Å; W424-T455 HydrophobicContact CZ3-CG2 4.2Å; Y427-T455 HydrophobicContact CD1-CG2 3.67Å; Y427-T455 HydrophobicContact CD2-CG2 4.05Å; Y427-T455 HydrophobicContact CE1-CG2 4.05Å; Y427-T455 HydrophobicContact CE2-CG2 4.37Å; Y427-T455 HydrophobicContact CG-CG2 3.67Å; H431-T455 PolarHBondContact CD2-OG1 3.13Å; H431-T455 PolarHBondContact NE2-OG1 2.76Å; L451-T455 PolarHBondContact O-N 3.22Å; L451-T455 PolarHBondContact O-OG1 2.9Å; L452-T455 PolarHBondContact O-N 2.88Å; R453-T455 VanDerWaalsContact C-N 3.34Å; T455-G457 VanDerWaalsContact C-N 3.34Å; T455-G457 PolarHBondContact O-N 3.32Å; T455-A459 WeakPolarHBondContact O-CB 3.27Å; T455-A459 PolarHBondContact O-N 3.42Å |
| 456 | F | 97.4 | Very high | 92 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.7 | -42.2 | 170.8 | -85.7 | -61 | 0 | 0 | 0 | 112.6 | C428 L452 R453 A459 I460 L477 Y480 Y481 V484 | C428-F456 HydrophobicContact CB-CD1 4.16Å; C428-F456 HydrophobicContact CB-CE1 3.7Å; C428-F456 HydrophobicContact CB-CE2 4.3Å; C428-F456 HydrophobicContact CB-CZ 3.78Å; C428-F456 WeakPolarHBondContact SG-CD1 3.36Å; C428-F456 VanDerWaalsContact SG-CE1 3.6Å; L452-F456 HydrophobicContact CD1-CD2 3.8Å; L452-F456 HydrophobicContact CD1-CE2 3.51Å; L452-F456 HydrophobicContact CD1-CZ 4.45Å; L452-F456 HydrophobicContact CD2-CE2 4.36Å; L452-F456 HydrophobicContact CG-CD2 3.91Å; L452-F456 HydrophobicContact CG-CE2 3.84Å; L452-F456 WeakPolarHBondContact O-CD2 3.47Å; L452-F456 PolarHBondContact O-N 3.31Å; R453-F456 PolarHBondContact O-N 3.22Å; F456-A459 PolarHBondContact O-N 3.2Å; F456-I460 WeakPolarHBondContact O-CB 3.46Å; F456-I460 WeakPolarHBondContact O-CD1 3.27Å; F456-I460 VanDerWaalsContact O-CG1 3.27Å; F456-I460 WeakPolarHBondContact O-CG1 3.43Å; F456-I460 PolarHBondContact O-N 2.89Å; F456-L477 HydrophobicContact CD1-CD1 4.37Å; F456-L477 HydrophobicContact CD1-CG 4.4Å; F456-L477 HydrophobicContact CE1-CD1 4.08Å; F456-L477 HydrophobicContact CE1-CG 4.47Å; F456-Y480 AromaticContact CE1-CD1 3.66Å; F456-Y480 HydrophobicContact CE1-CD1 3.66Å; F456-Y480 HydrophobicContact CE1-CE1 4.02Å; F456-Y480 HydrophobicContact CE1-CG 4.2Å; F456-Y480 AromaticContact CZ-CD1 3.73Å; F456-Y480 HydrophobicContact CZ-CD1 3.73Å; F456-Y480 AromaticContact CZ-CE1 3.72Å; F456-Y480 HydrophobicContact CZ-CE1 3.72Å; F456-Y480 HydrophobicContact CZ-CE2 4.48Å; F456-Y480 HydrophobicContact CZ-CG 4.15Å; F456-Y481 HydrophobicContact CB-CD1 3.76Å; F456-Y481 HydrophobicContact CB-CD2 3.81Å; F456-Y481 HydrophobicContact CB-CE1 3.94Å; F456-Y481 HydrophobicContact CB-CE2 4.01Å; F456-Y481 HydrophobicContact CB-CG 3.72Å; F456-Y481 HydrophobicContact CD1-CD1 4.48Å; F456-Y481 HydrophobicContact CD1-CD2 4.04Å; F456-Y481 AromaticContact CD1-CG 3.78Å; F456-Y481 HydrophobicContact CD1-CG 3.78Å; F456-Y481 AromaticContact CD2-CD2 3.22Å; F456-Y481 HydrophobicContact CD2-CD2 3.22Å; F456-Y481 AromaticContact CD2-CE2 3.67Å; F456-Y481 HydrophobicContact CD2-CE2 3.67Å; F456-Y481 AromaticContact CD2-CG 3.84Å; F456-Y481 HydrophobicContact CD2-CG 3.84Å; F456-Y481 HydrophobicContact CE1-CD2 4.4Å; F456-Y481 HydrophobicContact CE1-CG 4.3Å; F456-Y481 AromaticContact CE2-CD2 3.65Å; F456-Y481 HydrophobicContact CE2-CD2 3.65Å; F456-Y481 HydrophobicContact CE2-CE2 4.36Å; F456-Y481 HydrophobicContact CE2-CG 4.34Å; F456-Y481 HydrophobicContact CG-CD1 4.11Å; F456-Y481 AromaticContact CG-CD2 3.43Å; F456-Y481 HydrophobicContact CG-CD2 3.43Å; F456-Y481 VanDerWaalsContact CG-CD2 3.43Å; F456-Y481 HydrophobicContact CG-CE2 4.02Å; F456-Y481 AromaticContact CG-CG 3.53Å; F456-Y481 HydrophobicContact CG-CG 3.53Å; F456-Y481 HydrophobicContact CZ-CD2 4.23Å; F456-V484 HydrophobicContact CE2-CB 4.46Å; F456-V484 HydrophobicContact CE2-CG2 4.41Å; F456-V484 HydrophobicContact CZ-CG2 4.27Å |
| 457 | G | 95.2 | Very high | 91.1 | Very high | 34 Ų | 34 | 42.5 Ų | 42.5 | 35% | 0.351 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -57.9 | -52.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R453 A454 T455 A459 I460 E461 | R453-G457 PolarHBondContact O-N 3.45Å; A454-G457 PolarHBondContact O-N 3.38Å; T455-G457 VanDerWaalsContact C-N 3.34Å; T455-G457 PolarHBondContact O-N 3.32Å; G457-A459 VanDerWaalsContact C-N 3.32Å; G457-A459 PolarHBondContact O-N 3.41Å; G457-I460 PolarHBondContact O-N 2.93Å; G457-E461 WeakPolarHBondContact O-CB 3.17Å; G457-E461 PolarHBondContact O-N 2.8Å |
| 458 | R | 95.7 | Very high | 89.9 | Confident | 84 Ų | 84 | 43.3 Ų | 43.3 | 32% | 0.317 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.2 | -42 | 177 | -68.1 | -172.2 | -62.3 | 158.1 | -2.5 | 112.5 | E407 W424 Y427 A454 I460 E461 Y462 | E407-R458 IonicContact OE1-CZ 3.29Å; E407-R458 VanDerWaalsContact OE1-CZ 3.24Å; E407-R458 IonicContact OE1-NH1 3.45Å; E407-R458 PolarHBondContact OE1-NH1 2.91Å; E407-R458 IonicContact OE1-NH2 3.99Å; E407-R458 PolarHBondContact OE1-NH2 3.05Å; E407-R458 IonicContact OE2-NH1 3.64Å; E407-R458 PolarHBondContact OE2-NH1 3.27Å; W424-R458 HydrophobicContact CH2-CB 3.7Å; W424-R458 HydrophobicContact CZ2-CB 4.4Å; W424-R458 HydrophobicContact CZ3-CB 4.09Å; Y427-R458 PolarHBondContact OH-NH2 2.94Å; A454-R458 WeakPolarHBondContact O-CG 3.38Å; A454-R458 PolarHBondContact O-N 3.39Å; R458-I460 VanDerWaalsContact C-N 3.33Å; R458-I460 PolarHBondContact O-N 3.49Å; R458-E461 WeakPolarHBondContact O-CB 3.34Å; R458-E461 PolarHBondContact O-N 3.09Å; R458-Y462 PolarHBondContact O-N 2.59Å |
| 459 | A | 93.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.3 | -35.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | W424 T455 F456 G457 C463 L477 | W424-A459 HydrophobicContact CB-CB 3.76Å; W424-A459 HydrophobicContact CD2-CB 3.43Å; W424-A459 VanDerWaalsContact CD2-CB 3.43Å; W424-A459 HydrophobicContact CE3-CB 3.57Å; W424-A459 HydrophobicContact CG-CB 3.54Å; W424-A459 HydrophobicContact CZ3-CB 4.32Å; T455-A459 WeakPolarHBondContact O-CB 3.27Å; T455-A459 PolarHBondContact O-N 3.42Å; F456-A459 PolarHBondContact O-N 3.2Å; G457-A459 VanDerWaalsContact C-N 3.32Å; G457-A459 PolarHBondContact O-N 3.41Å; A459-C463 PolarHBondContact O-N 3.5Å; A459-C463 VanDerWaalsContact O-N 3.16Å; A459-C463 PolarHBondContact O-SG 3.42Å; A459-L477 HydrophobicContact CB-CD2 3.29Å |
| 460 | I | 91.1 | Very high | 87 | Confident | 16 Ų | 16 | 50.9 Ų | 50.9 | 8% | 0.082 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -71 | -40.8 | 174.9 | -73.2 | 164.1 | 0 | 0 | 0 | 110.8 | F456 G457 R458 Y462 C463 F464 L478 Y481 | F456-I460 WeakPolarHBondContact O-CB 3.46Å; F456-I460 WeakPolarHBondContact O-CD1 3.27Å; F456-I460 VanDerWaalsContact O-CG1 3.27Å; F456-I460 WeakPolarHBondContact O-CG1 3.43Å; F456-I460 PolarHBondContact O-N 2.89Å; G457-I460 PolarHBondContact O-N 2.93Å; R458-I460 VanDerWaalsContact C-N 3.33Å; R458-I460 PolarHBondContact O-N 3.49Å; I460-Y462 VanDerWaalsContact C-N 3.3Å; I460-Y462 PolarHBondContact O-N 2.75Å; I460-C463 WeakPolarHBondContact O-CA 3.43Å; I460-C463 WeakPolarHBondContact O-CB 3.13Å; I460-C463 PolarHBondContact O-N 2.82Å; I460-C463 VanDerWaalsContact O-N 3.09Å; I460-F464 HydrophobicContact CG2-CD2 3.56Å; I460-F464 HydrophobicContact CG2-CE2 3.3Å; I460-F464 HydrophobicContact CG2-CZ 4.48Å; I460-F464 WeakPolarHBondContact O-CD2 3.33Å; I460-F464 PolarHBondContact O-N 3.45Å; I460-L478 HydrophobicContact CD1-CD1 3.54Å; I460-L478 HydrophobicContact CG1-CD1 4.2Å; I460-Y481 HydrophobicContact CD1-CD1 3.53Å; I460-Y481 HydrophobicContact CD1-CE1 4.27Å; I460-Y481 HydrophobicContact CD1-CG 4.4Å |
| 461 | E | 90.3 | Very high | 85.3 | Confident | 107 Ų | 107 | 52.5 Ų | 52.5 | 50% | 0.5 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -56.9 | -44.8 | 172.8 | -174.3 | 170.3 | -151.7 | 0 | 0 | 111 | G457 R458 C463 F464 E465 | G457-E461 WeakPolarHBondContact O-CB 3.17Å; G457-E461 PolarHBondContact O-N 2.8Å; R458-E461 WeakPolarHBondContact O-CB 3.34Å; R458-E461 PolarHBondContact O-N 3.09Å; E461-C463 VanDerWaalsContact C-N 3.34Å; E461-C463 PolarHBondContact O-N 2.94Å; E461-F464 WeakPolarHBondContact O-CA 3.49Å; E461-F464 WeakPolarHBondContact O-CB 3.49Å; E461-F464 PolarHBondContact O-N 2.95Å; E461-E465 WeakPolarHBondContact O-CG 3.38Å; E461-E465 PolarHBondContact O-N 2.88Å |
| 462 | Y | 89.4 | Confident | 84 | Confident | 52 Ų | 52 | 56.6 Ų | 56.6 | 20% | 0.204 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -56.9 | -43.5 | 171.9 | 175.4 | -96.3 | 0 | 0 | 0 | 112.8 | V420 L421 W424 R458 I460 F464 E465 S466 L467 | V420-Y462 HydrophobicContact CB-CE1 3.78Å; V420-Y462 WeakPolarHBondContact CB-OH 3.41Å; V420-Y462 HydrophobicContact CG1-CD1 4.14Å; V420-Y462 HydrophobicContact CG1-CD2 4.5Å; V420-Y462 HydrophobicContact CG1-CE1 3.57Å; V420-Y462 HydrophobicContact CG1-CE2 3.99Å; V420-Y462 VanDerWaalsContact CG1-CZ 3.5Å; V420-Y462 WeakPolarHBondContact CG2-OH 3.45Å; L421-Y462 HydrophobicContact CD2-CD1 4.3Å; L421-Y462 HydrophobicContact CD2-CE1 4.37Å; W424-Y462 AromaticContact CD1-CD1 3.9Å; W424-Y462 AromaticContact NE1-CD1 3.69Å; W424-Y462 AromaticContact NE1-CG 3.6Å; R458-Y462 PolarHBondContact O-N 2.59Å; I460-Y462 VanDerWaalsContact C-N 3.3Å; I460-Y462 PolarHBondContact O-N 2.75Å; Y462-F464 VanDerWaalsContact C-N 3.28Å; Y462-F464 PolarHBondContact O-N 3.09Å; Y462-E465 PolarHBondContact O-N 3.46Å; Y462-S466 WeakPolarHBondContact CE2-OG 3.49Å; Y462-S466 WeakPolarHBondContact O-CB 3.01Å; Y462-S466 PolarHBondContact O-N 2.65Å; Y462-L467 HydrophobicContact CE1-CD1 4.2Å |
| 463 | C | 85.2 | Confident | 82.7 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.014 | 31% | 0.31 | C | S | . | . | I | π-helix | trans | -61.5 | -36.6 | 174.1 | -64.5 | 0 | 0 | 0 | 0 | 112.5 | L421 A459 I460 E461 L467 H468 W475 | L421-C463 WeakPolarHBondContact CD2-SG 3.44Å; A459-C463 PolarHBondContact O-N 3.5Å; A459-C463 VanDerWaalsContact O-N 3.16Å; A459-C463 PolarHBondContact O-SG 3.42Å; I460-C463 WeakPolarHBondContact O-CA 3.43Å; I460-C463 WeakPolarHBondContact O-CB 3.13Å; I460-C463 PolarHBondContact O-N 2.82Å; I460-C463 VanDerWaalsContact O-N 3.09Å; E461-C463 VanDerWaalsContact C-N 3.34Å; E461-C463 PolarHBondContact O-N 2.94Å; C463-L467 HydrophobicContact CB-CD1 4.49Å; C463-L467 VanDerWaalsContact O-CB 3.27Å; C463-L467 WeakPolarHBondContact O-CB 3.14Å; C463-L467 PolarHBondContact O-N 3.14Å; C463-H468 PolarHBondContact O-N 2.97Å; C463-W475 HydrophobicContact CB-CE3 4.42Å; C463-W475 HydrophobicContact CB-CH2 4.07Å; C463-W475 HydrophobicContact CB-CZ3 3.79Å |
| 464 | F | 84.3 | Confident | 81.6 | Confident | 62 Ų | 62 | 58.2 Ų | 58.2 | 27% | 0.272 | 32% | 0.319 | S | S | . | . | I | π-helix | trans | -70.6 | -43.9 | 178 | -81.6 | -64.8 | 0 | 0 | 0 | 112.6 | I460 E461 Y462 H468 W475 L505 | I460-F464 HydrophobicContact CG2-CD2 3.56Å; I460-F464 HydrophobicContact CG2-CE2 3.3Å; I460-F464 HydrophobicContact CG2-CZ 4.48Å; I460-F464 WeakPolarHBondContact O-CD2 3.33Å; I460-F464 PolarHBondContact O-N 3.45Å; E461-F464 WeakPolarHBondContact O-CA 3.49Å; E461-F464 WeakPolarHBondContact O-CB 3.49Å; E461-F464 PolarHBondContact O-N 2.95Å; Y462-F464 VanDerWaalsContact C-N 3.28Å; Y462-F464 PolarHBondContact O-N 3.09Å; F464-H468 WeakPolarHBondContact O-CB 3.45Å; F464-H468 PolarHBondContact O-CD2 3.12Å; F464-W475 AromaticContact CD1-CH2 3.95Å; F464-W475 HydrophobicContact CD1-CH2 3.95Å; F464-W475 AromaticContact CE1-CH2 3.81Å; F464-W475 HydrophobicContact CE1-CH2 3.81Å; F464-W475 HydrophobicContact CE1-CZ3 4.28Å; F464-W475 HydrophobicContact CE2-CZ3 4.32Å; F464-W475 HydrophobicContact CG-CH2 4.38Å; F464-W475 HydrophobicContact CZ-CH2 4.12Å; F464-W475 HydrophobicContact CZ-CZ3 4.12Å; F464-L505 HydrophobicContact CD1-CD1 4.43Å; F464-L505 HydrophobicContact CD1-CD2 4.42Å; F464-L505 HydrophobicContact CE1-CD1 3.37Å; F464-L505 HydrophobicContact CE1-CD2 3.59Å; F464-L505 HydrophobicContact CE1-CG 4.03Å; F464-L505 HydrophobicContact CZ-CD1 3.93Å; F464-L505 HydrophobicContact CZ-CD2 4.39Å |
| 465 | E | 83.9 | Confident | 80.8 | Confident | 128 Ų | 128 | 56.3 Ų | 56.3 | 60% | 0.598 | 30% | 0.3 | S | S | * | . | I | π-helix | trans | -77.3 | -45.2 | -175.6 | -66.6 | -178.7 | 163 | 0 | 0 | 112.6 | E461 Y462 | E461-E465 WeakPolarHBondContact O-CG 3.38Å; E461-E465 PolarHBondContact O-N 2.88Å; Y462-E465 PolarHBondContact O-N 3.46Å |
| 466 | S | 76.3 | Confident | 80.2 | Confident | 54 Ų | 54 | 57.7 Ų | 57.7 | 38% | 0.378 | 31% | 0.31 | S | S | . | . | I | π-helix | trans | -96.2 | -27.3 | -168.4 | -62 | 0 | 0 | 0 | 0 | 113.6 | Y462 | Y462-S466 WeakPolarHBondContact CE2-OG 3.49Å; Y462-S466 WeakPolarHBondContact O-CB 3.01Å; Y462-S466 PolarHBondContact O-N 2.65Å |
| 467 | L | 72.6 | Confident | 79.8 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | I | π-helix | trans | -111 | -20.9 | -168.4 | -80 | 161.5 | 0 | 0 | 0 | 113.9 | P417 L421 Y462 C463 S469 Q470 V473 | P417-L467 HydrophobicContact CB-CD1 4.44Å; P417-L467 HydrophobicContact CB-CD2 3.48Å; P417-L467 VanDerWaalsContact CB-CD2 3.48Å; P417-L467 HydrophobicContact CB-CG 4.14Å; P417-L467 HydrophobicContact CG-CD2 4.19Å; L421-L467 HydrophobicContact CD1-CD1 3.86Å; L421-L467 HydrophobicContact CD2-CD1 3.87Å; L421-L467 HydrophobicContact CG-CD1 4.03Å; Y462-L467 HydrophobicContact CE1-CD1 4.2Å; C463-L467 HydrophobicContact CB-CD1 4.49Å; C463-L467 VanDerWaalsContact O-CB 3.27Å; C463-L467 WeakPolarHBondContact O-CB 3.14Å; C463-L467 PolarHBondContact O-N 3.14Å; L467-S469 PolarHBondContact O-N 3.12Å; L467-Q470 VanDerWaalsContact CD2-OE1 3.31Å; L467-Q470 WeakPolarHBondContact O-CB 3.22Å; L467-Q470 PolarHBondContact O-N 3.12Å; L467-V473 HydrophobicContact CB-CB 4.44Å; L467-V473 HydrophobicContact CB-CG1 3.8Å; L467-V473 HydrophobicContact CB-CG2 3.83Å; L467-V473 HydrophobicContact CD1-CG1 4.26Å; L467-V473 HydrophobicContact CG-CG1 4.47Å; L467-V473 WeakPolarHBondContact O-CG2 3.33Å |
| 468 | H | 66.1 | Low | 79.5 | Confident | 129 Ų | 129 | 56.7 Ų | 56.7 | 60% | 0.597 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -20.9 | -171.3 | 70.4 | -6 | 0 | 0 | 0 | 116.1 | C463 F464 | C463-H468 PolarHBondContact O-N 2.97Å; F464-H468 WeakPolarHBondContact O-CB 3.45Å; F464-H468 PolarHBondContact O-CD2 3.12Å |
| 469 | S | 64.4 | Low | 79.2 | Confident | 98 Ų | 98 | 55.2 Ų | 55.2 | 69% | 0.685 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -14.6 | -178.2 | 52.4 | 0 | 0 | 0 | 0 | 112.1 | L467 | L467-S469 PolarHBondContact O-N 3.12Š|
| 470 | Q | 62.6 | Low | 79.2 | Confident | 91 Ų | 91 | 56.6 Ų | 56.6 | 43% | 0.425 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -85.8 | 131.5 | -179.9 | -57.7 | -173.2 | 2.7 | 0 | 0 | 109.7 | L467 N472 V473 | L467-Q470 VanDerWaalsContact CD2-OE1 3.31Å; L467-Q470 WeakPolarHBondContact O-CB 3.22Å; L467-Q470 PolarHBondContact O-N 3.12Å; Q470-N472 PolarHBondContact O-N 3.43Å; Q470-N472 VanDerWaalsContact O-N 3.11Å; Q470-V473 HydrophobicContact CB-CG2 4.31Å; Q470-V473 VanDerWaalsContact O-CG2 3.3Å; Q470-V473 WeakPolarHBondContact O-CG2 3.28Å |
| 471 | S | 59.4 | Low | 79.4 | Confident | 92 Ų | 92 | 56.6 Ų | 56.6 | 64% | 0.643 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -17.6 | -176.7 | 53.2 | 0 | 0 | 0 | 0 | 114.6 | R511 | S471-R511 PolarHBondContact O-NH1 2.92Š|
| 472 | N | 67.5 | Low | 79.6 | Confident | 129 Ų | 129 | 51.5 Ų | 51.5 | 69% | 0.69 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.1 | 47.6 | -172.7 | -70.5 | -23.9 | 0 | 0 | 0 | 112.9 | Q470 D474 | Q470-N472 PolarHBondContact O-N 3.43Å; Q470-N472 VanDerWaalsContact O-N 3.11Å; N472-D474 PolarHBondContact O-N 3.22Å |
| 473 | V | 68.2 | Low | 79.8 | Confident | 15 Ų | 15 | 52.3 Ų | 52.3 | 9% | 0.091 | 28% | 0.281 | C | S | . | . | trans | -66 | 128.5 | 174.5 | -176 | 0 | 0 | 0 | 0 | 111.2 | L467 Q470 W475 | L467-V473 HydrophobicContact CB-CB 4.44Å; L467-V473 HydrophobicContact CB-CG1 3.8Å; L467-V473 HydrophobicContact CB-CG2 3.83Å; L467-V473 HydrophobicContact CD1-CG1 4.26Å; L467-V473 HydrophobicContact CG-CG1 4.47Å; L467-V473 WeakPolarHBondContact O-CG2 3.33Å; Q470-V473 HydrophobicContact CB-CG2 4.31Å; Q470-V473 VanDerWaalsContact O-CG2 3.3Å; Q470-V473 WeakPolarHBondContact O-CG2 3.28Å; V473-W475 HydrophobicContact CB-CZ2 4.39Å; V473-W475 HydrophobicContact CG1-CD2 4.08Å; V473-W475 HydrophobicContact CG1-CG 4.31Å; V473-W475 HydrophobicContact CG1-CZ2 3.92Å; V473-W475 VanDerWaalsContact O-CD1 3.22Å; V473-W475 PolarHBondContact O-N 3.34Å | ||
| 474 | D | 74.8 | Confident | 80.2 | Confident | 71 Ų | 71 | 52.3 Ų | 52.3 | 38% | 0.38 | 28% | 0.28 | S | S | . | . | trans | -77.8 | 98.8 | 170 | -177.7 | 19.3 | 0 | 0 | 0 | 111.2 | L421 N472 S476 | L421-D474 HydrophobicContact CD1-CB 4.11Å; N472-D474 PolarHBondContact O-N 3.22Å; D474-S476 PolarHBondContact O-N 2.7Å; D474-S476 WeakPolarHBondContact OD1-CA 3Å; D474-S476 WeakPolarHBondContact OD1-CB 3.32Å; D474-S476 PolarHBondContact OD1-N 3.09Å; D474-S476 PolarHBondContact OD1-OG 2.87Å; D474-S476 VanDerWaalsContact OD1-OG 3.09Å; D474-S476 PolarHBondContact OD2-OG 3.35Å | ||
| 475 | W | 81.2 | Confident | 80.7 | Confident | 13 Ų | 13 | 49.4 Ų | 49.4 | 5% | 0.049 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 15.6 | 173.8 | -63.2 | 92.5 | 0 | 0 | 0 | 113.3 | C463 F464 V473 L477 L478 N479 L502 L505 H508 Y514 | C463-W475 HydrophobicContact CB-CE3 4.42Å; C463-W475 HydrophobicContact CB-CH2 4.07Å; C463-W475 HydrophobicContact CB-CZ3 3.79Å; F464-W475 AromaticContact CD1-CH2 3.95Å; F464-W475 HydrophobicContact CD1-CH2 3.95Å; F464-W475 AromaticContact CE1-CH2 3.81Å; F464-W475 HydrophobicContact CE1-CH2 3.81Å; F464-W475 HydrophobicContact CE1-CZ3 4.28Å; F464-W475 HydrophobicContact CE2-CZ3 4.32Å; F464-W475 HydrophobicContact CG-CH2 4.38Å; F464-W475 HydrophobicContact CZ-CH2 4.12Å; F464-W475 HydrophobicContact CZ-CZ3 4.12Å; V473-W475 HydrophobicContact CB-CZ2 4.39Å; V473-W475 HydrophobicContact CG1-CD2 4.08Å; V473-W475 HydrophobicContact CG1-CG 4.31Å; V473-W475 HydrophobicContact CG1-CZ2 3.92Å; V473-W475 VanDerWaalsContact O-CD1 3.22Å; V473-W475 PolarHBondContact O-N 3.34Å; W475-L477 PolarHBondContact O-N 3.43Å; W475-L477 VanDerWaalsContact O-N 3.09Å; W475-L478 PolarHBondContact O-N 3.28Å; W475-N479 PolarHBondContact O-N 2.75Å; W475-N479 PolarHBondContact O-OD1 2.7Å; W475-L502 HydrophobicContact CD2-CD1 3.64Å; W475-L502 HydrophobicContact CE3-CD1 3.77Å; W475-L502 HydrophobicContact CG-CD1 4.01Å; W475-L502 HydrophobicContact CZ2-CD1 4.5Å; W475-L502 HydrophobicContact CZ3-CD1 4.26Å; W475-L505 HydrophobicContact CH2-CD1 4.37Å; W475-L505 HydrophobicContact CZ2-CD1 4.4Å; W475-H508 AromaticContact CE2-CE1 3.56Å; W475-H508 AromaticContact CZ2-CE1 3.74Å; W475-H508 AromaticContact NE1-CE1 3.34Å; W475-H508 PolarHBondContact NE1-CE1 3.07Å; W475-H508 VanDerWaalsContact NE1-CE1 3.34Å; W475-Y514 HydrophobicContact CB-CE1 4.35Å; W475-Y514 AromaticContact CD1-CE1 3.45Å; W475-Y514 VanDerWaalsContact CD1-CE1 3.45Å; W475-Y514 AromaticContact CD1-CZ 3.94Å; W475-Y514 HydrophobicContact CG-CE1 4.06Å |
| 476 | S | 84.6 | Confident | 81.2 | Confident | 33 Ų | 33 | 43.4 Ų | 43.4 | 23% | 0.231 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -55.7 | -27.6 | 177.5 | 70.2 | 0 | 0 | 0 | 0 | 113.1 | D474 N479 Y480 | D474-S476 PolarHBondContact O-N 2.7Å; D474-S476 WeakPolarHBondContact OD1-CA 3Å; D474-S476 WeakPolarHBondContact OD1-CB 3.32Å; D474-S476 PolarHBondContact OD1-N 3.09Å; D474-S476 PolarHBondContact OD1-OG 2.87Å; D474-S476 VanDerWaalsContact OD1-OG 3.09Å; D474-S476 PolarHBondContact OD2-OG 3.35Å; S476-N479 PolarHBondContact O-N 2.84Å; S476-Y480 WeakPolarHBondContact O-CB 3.26Å; S476-Y480 PolarHBondContact O-N 3.33Å |
| 477 | L | 89.4 | Confident | 81.9 | Confident | 7 Ų | 7 | 45.4 Ų | 45.4 | 4% | 0.037 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.1 | -38.4 | 176.6 | -167.4 | 69.5 | 0 | 0 | 0 | 112.8 | W424 R425 F456 A459 W475 Y480 Y481 | W424-L477 HydrophobicContact CB-CD2 4.25Å; R425-L477 HydrophobicContact CB-CD1 4.26Å; F456-L477 HydrophobicContact CD1-CD1 4.37Å; F456-L477 HydrophobicContact CD1-CG 4.4Å; F456-L477 HydrophobicContact CE1-CD1 4.08Å; F456-L477 HydrophobicContact CE1-CG 4.47Å; A459-L477 HydrophobicContact CB-CD2 3.29Å; W475-L477 PolarHBondContact O-N 3.43Å; W475-L477 VanDerWaalsContact O-N 3.09Å; L477-Y480 HydrophobicContact CD1-CD1 4.19Å; L477-Y480 WeakPolarHBondContact O-CB 3.43Å; L477-Y480 PolarHBondContact O-N 3.01Å; L477-Y481 PolarHBondContact O-N 3.47Å |
| 478 | L | 89.7 | Confident | 82.8 | Confident | 6 Ų | 6 | 49.1 Ų | 49.1 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.3 | -41.9 | 174.4 | -171.7 | 78.5 | 0 | 0 | 0 | 110.7 | I460 W475 Y480 Y481 A482 L498 L502 | I460-L478 HydrophobicContact CD1-CD1 3.54Å; I460-L478 HydrophobicContact CG1-CD1 4.2Å; W475-L478 PolarHBondContact O-N 3.28Å; L478-Y480 PolarHBondContact O-N 3.49Å; L478-Y481 PolarHBondContact O-N 3.26Å; L478-Y481 VanDerWaalsContact O-N 3.12Å; L478-A482 WeakPolarHBondContact O-CB 3.4Å; L478-A482 PolarHBondContact O-N 3.42Å; L478-L498 HydrophobicContact CD1-CB 4.05Å; L478-L498 HydrophobicContact CD1-CD2 4.1Å; L478-L502 HydrophobicContact CD2-CB 3.44Å; L478-L502 VanDerWaalsContact CD2-CB 3.44Å; L478-L502 HydrophobicContact CD2-CD1 3.99Å; L478-L502 HydrophobicContact CD2-CD2 3.5Å; L478-L502 VanDerWaalsContact CD2-CD2 3.5Å; L478-L502 HydrophobicContact CD2-CG 3.8Å |
| 479 | N | 88.9 | Confident | 84.1 | Confident | 52 Ų | 52 | 43.8 Ų | 43.8 | 28% | 0.278 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59 | -41.2 | 176 | -58.9 | 0.5 | 0 | 0 | 0 | 110.2 | W475 S476 F483 W499 | W475-N479 PolarHBondContact O-N 2.75Å; W475-N479 PolarHBondContact O-OD1 2.7Å; S476-N479 PolarHBondContact O-N 2.84Å; N479-F483 VanDerWaalsContact O-CB 3.25Å; N479-F483 WeakPolarHBondContact O-CB 3.23Å; N479-F483 PolarHBondContact O-N 3.22Å; N479-W499 HydrophobicContact CB-CH2 4.14Å; N479-W499 HydrophobicContact CB-CZ2 4.44Å; N479-W499 VanDerWaalsContact CG-CH2 3.49Å; N479-W499 WeakPolarHBondContact OD1-CH2 3.42Å; N479-W499 WeakPolarHBondContact OD1-CZ3 3.41Å |
| 480 | Y | 93.5 | Very high | 85.4 | Confident | 29 Ų | 29 | 45.6 Ų | 45.6 | 11% | 0.114 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.4 | -46.5 | 174.3 | 178 | -149.8 | 0 | 0 | 0 | 111.6 | C428 D429 F432 F456 S476 L477 L478 F483 V484 | C428-Y480 HydrophobicContact CB-CE1 4.05Å; D429-Y480 WeakPolarHBondContact OD1-CE1 3.46Å; D429-Y480 PolarHBondContact OD1-OH 3.4Å; F432-Y480 WeakPolarHBondContact CD1-OH 3.46Å; F456-Y480 AromaticContact CE1-CD1 3.66Å; F456-Y480 HydrophobicContact CE1-CD1 3.66Å; F456-Y480 HydrophobicContact CE1-CE1 4.02Å; F456-Y480 HydrophobicContact CE1-CG 4.2Å; F456-Y480 AromaticContact CZ-CD1 3.73Å; F456-Y480 HydrophobicContact CZ-CD1 3.73Å; F456-Y480 AromaticContact CZ-CE1 3.72Å; F456-Y480 HydrophobicContact CZ-CE1 3.72Å; F456-Y480 HydrophobicContact CZ-CE2 4.48Å; F456-Y480 HydrophobicContact CZ-CG 4.15Å; S476-Y480 WeakPolarHBondContact O-CB 3.26Å; S476-Y480 PolarHBondContact O-N 3.33Å; L477-Y480 HydrophobicContact CD1-CD1 4.19Å; L477-Y480 WeakPolarHBondContact O-CB 3.43Å; L477-Y480 PolarHBondContact O-N 3.01Å; L478-Y480 PolarHBondContact O-N 3.49Å; Y480-F483 HydrophobicContact CD2-CD1 4.42Å; Y480-F483 WeakPolarHBondContact O-CB 3.44Å; Y480-F483 PolarHBondContact O-N 3.11Å; Y480-V484 HydrophobicContact CD2-CG2 3.73Å; Y480-V484 HydrophobicContact CE2-CG2 3.33Å; Y480-V484 WeakPolarHBondContact O-CG2 3.34Å; Y480-V484 PolarHBondContact O-N 2.83Å |
| 481 | Y | 95.8 | Very high | 86.8 | Confident | 16 Ų | 16 | 43.3 Ų | 43.3 | 6% | 0.063 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.6 | -49.7 | 179.7 | -174.1 | -156.6 | 0 | 0 | 0 | 112.2 | R453 F456 I460 L477 L478 F483 V484 E485 L498 | R453-Y481 HydrophobicContact CG-CE2 4.35Å; F456-Y481 HydrophobicContact CB-CD1 3.76Å; F456-Y481 HydrophobicContact CB-CD2 3.81Å; F456-Y481 HydrophobicContact CB-CE1 3.94Å; F456-Y481 HydrophobicContact CB-CE2 4.01Å; F456-Y481 HydrophobicContact CB-CG 3.72Å; F456-Y481 HydrophobicContact CD1-CD1 4.48Å; F456-Y481 HydrophobicContact CD1-CD2 4.04Å; F456-Y481 AromaticContact CD1-CG 3.78Å; F456-Y481 HydrophobicContact CD1-CG 3.78Å; F456-Y481 AromaticContact CD2-CD2 3.22Å; F456-Y481 HydrophobicContact CD2-CD2 3.22Å; F456-Y481 AromaticContact CD2-CE2 3.67Å; F456-Y481 HydrophobicContact CD2-CE2 3.67Å; F456-Y481 AromaticContact CD2-CG 3.84Å; F456-Y481 HydrophobicContact CD2-CG 3.84Å; F456-Y481 HydrophobicContact CE1-CD2 4.4Å; F456-Y481 HydrophobicContact CE1-CG 4.3Å; F456-Y481 AromaticContact CE2-CD2 3.65Å; F456-Y481 HydrophobicContact CE2-CD2 3.65Å; F456-Y481 HydrophobicContact CE2-CE2 4.36Å; F456-Y481 HydrophobicContact CE2-CG 4.34Å; F456-Y481 HydrophobicContact CG-CD1 4.11Å; F456-Y481 AromaticContact CG-CD2 3.43Å; F456-Y481 HydrophobicContact CG-CD2 3.43Å; F456-Y481 VanDerWaalsContact CG-CD2 3.43Å; F456-Y481 HydrophobicContact CG-CE2 4.02Å; F456-Y481 AromaticContact CG-CG 3.53Å; F456-Y481 HydrophobicContact CG-CG 3.53Å; F456-Y481 HydrophobicContact CZ-CD2 4.23Å; I460-Y481 HydrophobicContact CD1-CD1 3.53Å; I460-Y481 HydrophobicContact CD1-CE1 4.27Å; I460-Y481 HydrophobicContact CD1-CG 4.4Å; L477-Y481 PolarHBondContact O-N 3.47Å; L478-Y481 PolarHBondContact O-N 3.26Å; L478-Y481 VanDerWaalsContact O-N 3.12Å; Y481-F483 VanDerWaalsContact C-N 3.26Å; Y481-F483 PolarHBondContact O-N 2.88Å; Y481-V484 PolarHBondContact O-N 2.98Å; Y481-V484 VanDerWaalsContact O-N 3.11Å; Y481-E485 HydrophobicContact CD2-CG 3.9Å; Y481-E485 HydrophobicContact CE2-CG 3.44Å; Y481-E485 VanDerWaalsContact CE2-CG 3.44Å; Y481-E485 WeakPolarHBondContact CE2-OE1 3.46Å; Y481-E485 PolarHBondContact O-N 3.11Å; Y481-E485 PolarHBondContact OH-OE1 3.08Å; Y481-L498 HydrophobicContact CD1-CD1 3.33Å; Y481-L498 HydrophobicContact CD1-CD2 3.74Å; Y481-L498 HydrophobicContact CD1-CG 4.18Å; Y481-L498 HydrophobicContact CD2-CD1 4.4Å; Y481-L498 HydrophobicContact CE1-CD1 3.54Å; Y481-L498 HydrophobicContact CE1-CD2 3.64Å; Y481-L498 HydrophobicContact CE1-CG 4.21Å; Y481-L498 HydrophobicContact CG-CD1 3.79Å |
| 482 | A | 93 | Very high | 88.4 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.008 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.6 | -38.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L478 A486 A495 L498 W499 | L478-A482 WeakPolarHBondContact O-CB 3.4Å; L478-A482 PolarHBondContact O-N 3.42Å; A482-A486 VanDerWaalsContact O-CB 3.27Å; A482-A486 WeakPolarHBondContact O-CB 3.42Å; A482-A486 PolarHBondContact O-N 3.03Å; A482-A495 HydrophobicContact CB-CB 4.34Å; A482-A495 WeakPolarHBondContact O-CB 3.33Å; A482-L498 HydrophobicContact CB-CD1 4.32Å; A482-W499 HydrophobicContact CB-CZ2 4.33Å |
| 483 | F | 93.6 | Very high | 89.7 | Confident | 69 Ų | 69 | 44.2 Ų | 44.2 | 30% | 0.303 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63 | -43.2 | 174.3 | 169.2 | -100.3 | 0 | 0 | 0 | 112.8 | N479 Y480 Y481 A486 K487 Y488 W525 | N479-F483 VanDerWaalsContact O-CB 3.25Å; N479-F483 WeakPolarHBondContact O-CB 3.23Å; N479-F483 PolarHBondContact O-N 3.22Å; Y480-F483 HydrophobicContact CD2-CD1 4.42Å; Y480-F483 WeakPolarHBondContact O-CB 3.44Å; Y480-F483 PolarHBondContact O-N 3.11Å; Y481-F483 VanDerWaalsContact C-N 3.26Å; Y481-F483 PolarHBondContact O-N 2.88Å; F483-A486 PolarHBondContact O-N 3.44Å; F483-K487 HydrophobicContact CE1-CD 4.21Å; F483-K487 HydrophobicContact CE2-CB 4.33Å; F483-K487 HydrophobicContact CE2-CD 3.61Å; F483-K487 HydrophobicContact CZ-CD 3.39Å; F483-K487 VanDerWaalsContact O-CB 3.31Å; F483-K487 WeakPolarHBondContact O-CB 3.1Å; F483-K487 PolarHBondContact O-N 3.43Å; F483-Y488 AromaticContact CE1-CE2 3.8Å; F483-Y488 HydrophobicContact CE1-CE2 3.8Å; F483-Y488 HydrophobicContact CZ-CE2 4.19Å; F483-W525 AromaticContact CD2-CH2 3.47Å; F483-W525 HydrophobicContact CD2-CH2 3.47Å; F483-W525 VanDerWaalsContact CD2-CH2 3.47Å; F483-W525 AromaticContact CD2-CZ2 3.75Å; F483-W525 HydrophobicContact CD2-CZ2 3.75Å; F483-W525 HydrophobicContact CD2-CZ3 4.29Å; F483-W525 AromaticContact CE2-CH2 3.73Å; F483-W525 HydrophobicContact CE2-CH2 3.73Å; F483-W525 AromaticContact CE2-CZ2 3.68Å; F483-W525 HydrophobicContact CE2-CZ2 3.68Å |
| 484 | V | 94.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.7 | -47.9 | 178.2 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | F432 L452 F456 Y480 Y481 A486 Y488 V489 | F432-V484 HydrophobicContact CD2-CG1 3.84Å; F432-V484 HydrophobicContact CD2-CG2 4.17Å; F432-V484 HydrophobicContact CE2-CG1 3.79Å; F432-V484 HydrophobicContact CE2-CG2 4.07Å; F432-V484 HydrophobicContact CZ-CG2 4.38Å; L452-V484 HydrophobicContact CD2-CG1 4Å; F456-V484 HydrophobicContact CE2-CB 4.46Å; F456-V484 HydrophobicContact CE2-CG2 4.41Å; F456-V484 HydrophobicContact CZ-CG2 4.27Å; Y480-V484 HydrophobicContact CD2-CG2 3.73Å; Y480-V484 HydrophobicContact CE2-CG2 3.33Å; Y480-V484 WeakPolarHBondContact O-CG2 3.34Å; Y480-V484 PolarHBondContact O-N 2.83Å; Y481-V484 PolarHBondContact O-N 2.98Å; Y481-V484 VanDerWaalsContact O-N 3.11Å; V484-A486 VanDerWaalsContact C-N 3.34Å; V484-A486 PolarHBondContact O-N 2.87Å; V484-Y488 WeakPolarHBondContact O-CB 3.05Å; V484-Y488 PolarHBondContact O-N 3.35Å; V484-V489 PolarHBondContact O-N 2.9Å |
| 485 | E | 95.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | I | π-helix | trans | -60.6 | -43.7 | 178 | -68.3 | -71.7 | -173.4 | 0 | 0 | 111.4 | R453 Y481 V489 E490 D491 R494 A495 | R453-E485 WeakPolarHBondContact CG-OE1 3.37Å; R453-E485 IonicContact CZ-OE1 2.67Å; R453-E485 IonicContact CZ-OE2 3.38Å; R453-E485 IonicContact NE-OE1 3.72Å; R453-E485 PolarHBondContact NE-OE1 2.87Å; R453-E485 IonicContact NE-OE2 3.2Å; R453-E485 IonicContact NH2-OE1 2.88Å; R453-E485 PolarHBondContact NH2-OE1 3.45Å; R453-E485 IonicContact NH2-OE2 3.24Å; R453-E485 PolarHBondContact NH2-OE2 2.99Å; Y481-E485 HydrophobicContact CD2-CG 3.9Å; Y481-E485 HydrophobicContact CE2-CG 3.44Å; Y481-E485 VanDerWaalsContact CE2-CG 3.44Å; Y481-E485 WeakPolarHBondContact CE2-OE1 3.46Å; Y481-E485 PolarHBondContact O-N 3.11Å; Y481-E485 PolarHBondContact OH-OE1 3.08Å; E485-V489 CarbonylContact O-C 3.48Å; E485-V489 WeakPolarHBondContact O-CB 3.21Å; E485-V489 WeakPolarHBondContact OE2-CB 3.46Å; E485-E490 PolarHBondContact O-N 3.47Å; E485-D491 PolarHBondContact O-N 3.32Å; E485-R494 HydrophobicContact CG-CG 4.43Å; E485-R494 WeakPolarHBondContact OE1-CD 3.47Å; E485-A495 HydrophobicContact CB-CB 4.22Å |
| 486 | A | 93 | Very high | 92.3 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 3% | 0.025 | 21% | 0.209 | C | C | . | . | I | π-helix | trans | -66.2 | -47.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | A482 F483 V484 A495 F521 W525 | A482-A486 VanDerWaalsContact O-CB 3.27Å; A482-A486 WeakPolarHBondContact O-CB 3.42Å; A482-A486 PolarHBondContact O-N 3.03Å; F483-A486 PolarHBondContact O-N 3.44Å; V484-A486 VanDerWaalsContact C-N 3.34Å; V484-A486 PolarHBondContact O-N 2.87Å; A486-A495 HydrophobicContact CB-CB 4.27Å; A486-F521 HydrophobicContact CB-CD2 4.05Å; A486-F521 HydrophobicContact CB-CE2 3.57Å; A486-W525 HydrophobicContact CB-CB 4.27Å; A486-W525 HydrophobicContact CB-CD2 3.97Å; A486-W525 HydrophobicContact CB-CE3 4.28Å; A486-W525 HydrophobicContact CB-CG 3.93Å |
| 487 | K | 92 | Very high | 92.8 | Very high | 95 Ų | 95 | 47.1 Ų | 47.1 | 41% | 0.413 | 22% | 0.218 | S | C | . | . | I | π-helix | trans | -92 | -41.1 | -167.3 | -178.3 | -179 | 171.9 | -161.7 | 0 | 113.1 | F483 W525 | F483-K487 HydrophobicContact CE1-CD 4.21Å; F483-K487 HydrophobicContact CE2-CB 4.33Å; F483-K487 HydrophobicContact CE2-CD 3.61Å; F483-K487 HydrophobicContact CZ-CD 3.39Å; F483-K487 VanDerWaalsContact O-CB 3.31Å; F483-K487 WeakPolarHBondContact O-CB 3.1Å; F483-K487 PolarHBondContact O-N 3.43Å; K487-W525 HydrophobicContact CB-CZ2 4.38Å |
| 488 | Y | 91.6 | Very high | 92.9 | Very high | 81 Ų | 81 | 47.8 Ų | 47.8 | 32% | 0.318 | 22% | 0.222 | S | C | . | . | I | π-helix | trans | -101.3 | -41.9 | -171.2 | -66.8 | -89.6 | 0 | 0 | 0 | 111.7 | F432 K440 F483 V484 | F432-Y488 HydrophobicContact CE1-CE2 4.38Å; F432-Y488 HydrophobicContact CE2-CD1 4.11Å; F432-Y488 AromaticContact CE2-CD2 3.81Å; F432-Y488 HydrophobicContact CE2-CD2 3.81Å; F432-Y488 HydrophobicContact CE2-CE2 4.25Å; F432-Y488 AromaticContact CE2-CG 3.74Å; F432-Y488 HydrophobicContact CE2-CG 3.74Å; F432-Y488 AromaticContact CZ-CD1 3.85Å; F432-Y488 HydrophobicContact CZ-CD1 3.85Å; F432-Y488 AromaticContact CZ-CD2 3.54Å; F432-Y488 HydrophobicContact CZ-CD2 3.54Å; F432-Y488 AromaticContact CZ-CE1 3.8Å; F432-Y488 HydrophobicContact CZ-CE1 3.8Å; F432-Y488 AromaticContact CZ-CE2 3.49Å; F432-Y488 HydrophobicContact CZ-CE2 3.49Å; F432-Y488 VanDerWaalsContact CZ-CE2 3.49Å; F432-Y488 AromaticContact CZ-CG 3.72Å; F432-Y488 HydrophobicContact CZ-CG 3.72Å; F432-Y488 AromaticContact CZ-CZ 3.63Å; K440-Y488 VanDerWaalsContact CE-O 3.27Å; K440-Y488 WeakPolarHBondContact CE-O 3.44Å; K440-Y488 PolarHBondContact NZ-O 3.03Å; F483-Y488 AromaticContact CE1-CE2 3.8Å; F483-Y488 HydrophobicContact CE1-CE2 3.8Å; F483-Y488 HydrophobicContact CZ-CE2 4.19Å; V484-Y488 WeakPolarHBondContact O-CB 3.05Å; V484-Y488 PolarHBondContact O-N 3.35Å |
| 489 | V | 92.5 | Very high | 93 | Very high | 17 Ų | 17 | 47.8 Ų | 47.8 | 10% | 0.103 | 22% | 0.222 | C | C | . | . | I | π-helix | trans | -83.2 | -26.6 | 178 | -170 | 0 | 0 | 0 | 0 | 111.8 | W445 L449 V484 E485 D491 | W445-V489 HydrophobicContact CH2-CG1 4.06Å; W445-V489 HydrophobicContact CZ2-CG1 4.37Å; L449-V489 HydrophobicContact CD1-CG1 4.37Å; L449-V489 HydrophobicContact CD1-CG2 3.59Å; L449-V489 HydrophobicContact CD2-CG1 3.7Å; L449-V489 HydrophobicContact CD2-CG2 4.36Å; V484-V489 PolarHBondContact O-N 2.9Å; E485-V489 CarbonylContact O-C 3.48Å; E485-V489 WeakPolarHBondContact O-CB 3.21Å; E485-V489 WeakPolarHBondContact OE2-CB 3.46Å; V489-D491 HydrophobicContact CG1-CB 4.14Å |
| 490 | E | 91.6 | Very high | 93.1 | Very high | 135 Ų | 135 | 47.7 Ų | 47.7 | 63% | 0.631 | 22% | 0.223 | S | C | * | . | trans | 68.3 | 19 | -175.4 | -57 | 169.1 | -154.1 | 0 | 0 | 113.9 | K440 E485 K492 | K440-E490 VanDerWaalsContact NZ-CD 3.27Å; K440-E490 IonicContact NZ-OE1 2.71Å; K440-E490 PolarHBondContact NZ-OE1 3.29Å; E485-E490 PolarHBondContact O-N 3.47Å; E490-K492 PolarHBondContact O-N 3.44Å | ||
| 491 | D | 93.2 | Very high | 92.9 | Very high | 43 Ų | 43 | 48.8 Ų | 48.8 | 23% | 0.23 | 24% | 0.235 | C | C | . | . | trans | -92.4 | 82.1 | 176.3 | -172.4 | -11.9 | 0 | 0 | 0 | 110.7 | R453 E485 V489 E493 R494 A495 | R453-D491 IonicContact NH2-OD2 3.35Å; R453-D491 PolarHBondContact NH2-OD2 3.05Å; E485-D491 PolarHBondContact O-N 3.32Å; V489-D491 HydrophobicContact CG1-CB 4.14Å; D491-E493 VanDerWaalsContact C-N 3.29Å; D491-E493 PolarHBondContact O-N 2.96Å; D491-E493 PolarHBondContact OD1-N 2.95Å; D491-R494 HydrophobicContact CB-CB 4.27Å; D491-R494 WeakPolarHBondContact OD1-CB 3.29Å; D491-R494 PolarHBondContact OD1-N 3.24Å; D491-R494 VanDerWaalsContact OD2-CB 3.3Å; D491-R494 WeakPolarHBondContact OD2-CB 3.41Å; D491-R494 IonicContact OD2-CZ 3.92Å; D491-R494 IonicContact OD2-NE 2.68Å; D491-R494 PolarHBondContact OD2-NE 3.22Å; D491-R494 IonicContact OD2-NH2 2.62Å; D491-A495 PolarHBondContact O-N 3.38Å | ||
| 492 | K | 92.7 | Very high | 92.5 | Very high | 91 Ų | 91 | 48 Ų | 48 | 40% | 0.396 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.7 | -30.5 | -179.6 | -58.9 | 177.3 | -176.5 | -166.9 | 0 | 112.7 | E490 R496 W525 | E490-K492 PolarHBondContact O-N 3.44Å; K492-R496 WeakPolarHBondContact O-CG 3.36Å; K492-R496 PolarHBondContact O-N 3.16Å; K492-W525 VanDerWaalsContact CD-O 3.25Å; K492-W525 WeakPolarHBondContact CD-O 3.41Å; K492-W525 WeakPolarHBondContact CE-O 3.2Å; K492-W525 PolarHBondContact NZ-O 3.27Å |
| 493 | E | 93.8 | Very high | 92.3 | Very high | 149 Ų | 149 | 49 Ų | 49 | 70% | 0.696 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -70.4 | -42.6 | -177.8 | -67.7 | -174.8 | 173.6 | 0 | 0 | 111 | D491 R496 S497 | D491-E493 VanDerWaalsContact C-N 3.29Å; D491-E493 PolarHBondContact O-N 2.96Å; D491-E493 PolarHBondContact OD1-N 2.95Å; E493-R496 WeakPolarHBondContact O-CB 3.5Å; E493-R496 PolarHBondContact O-N 3.27Å; E493-S497 PolarHBondContact O-N 2.91Å |
| 494 | R | 93.2 | Very high | 92 | Very high | 89 Ų | 89 | 53.7 Ų | 53.7 | 34% | 0.336 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64 | -44.7 | 173.5 | -170.8 | 179.8 | -61.6 | -131.3 | -3.7 | 112 | R453 E485 D491 R496 S497 L498 | R453-R494 VanDerWaalsContact CD-NH1 3.29Å; R453-R494 VanDerWaalsContact NH2-CZ 3.3Å; E485-R494 HydrophobicContact CG-CG 4.43Å; E485-R494 WeakPolarHBondContact OE1-CD 3.47Å; D491-R494 HydrophobicContact CB-CB 4.27Å; D491-R494 WeakPolarHBondContact OD1-CB 3.29Å; D491-R494 PolarHBondContact OD1-N 3.24Å; D491-R494 VanDerWaalsContact OD2-CB 3.3Å; D491-R494 WeakPolarHBondContact OD2-CB 3.41Å; D491-R494 IonicContact OD2-CZ 3.92Å; D491-R494 IonicContact OD2-NE 2.68Å; D491-R494 PolarHBondContact OD2-NE 3.22Å; D491-R494 IonicContact OD2-NH2 2.62Å; R494-R496 VanDerWaalsContact C-N 3.27Å; R494-R496 PolarHBondContact O-N 3.41Å; R494-S497 WeakPolarHBondContact CA-OG 3.39Å; R494-S497 WeakPolarHBondContact O-CB 3.36Å; R494-S497 PolarHBondContact O-N 3.39Å; R494-S497 PolarHBondContact O-OG 2.78Å; R494-L498 WeakPolarHBondContact O-CG 3.37Å; R494-L498 PolarHBondContact O-N 3.26Å |
| 495 | A | 93.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56.3 | -41.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | A482 E485 A486 D491 L498 W499 F521 | A482-A495 HydrophobicContact CB-CB 4.34Å; A482-A495 WeakPolarHBondContact O-CB 3.33Å; E485-A495 HydrophobicContact CB-CB 4.22Å; A486-A495 HydrophobicContact CB-CB 4.27Å; D491-A495 PolarHBondContact O-N 3.38Å; A495-L498 PolarHBondContact O-N 3.24Å; A495-W499 PolarHBondContact O-N 2.95Å; A495-F521 HydrophobicContact CB-CD2 4.36Å; A495-F521 HydrophobicContact CB-CE2 3.41Å; A495-F521 VanDerWaalsContact CB-CE2 3.41Å; A495-F521 HydrophobicContact CB-CZ 3.6Å |
| 496 | R | 93.5 | Very high | 90.8 | Very high | 43 Ų | 43 | 61.5 Ų | 61.5 | 16% | 0.162 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.4 | -37.6 | 173.2 | -73 | -177 | -150.9 | 112.7 | -9 | 113.1 | K492 E493 R494 L498 W499 T500 F521 E522 D527 | K492-R496 WeakPolarHBondContact O-CG 3.36Å; K492-R496 PolarHBondContact O-N 3.16Å; E493-R496 WeakPolarHBondContact O-CB 3.5Å; E493-R496 PolarHBondContact O-N 3.27Å; R494-R496 VanDerWaalsContact C-N 3.27Å; R494-R496 PolarHBondContact O-N 3.41Å; R496-L498 VanDerWaalsContact C-N 3.3Å; R496-L498 PolarHBondContact O-N 3.45Å; R496-W499 PolarHBondContact O-N 3.24Å; R496-T500 VanDerWaalsContact O-CB 3.31Å; R496-T500 WeakPolarHBondContact O-CB 3.43Å; R496-T500 PolarHBondContact O-N 3.39Å; R496-T500 PolarHBondContact O-OG1 2.89Å; R496-F521 HydrophobicContact CG-CE1 3.61Å; R496-F521 HydrophobicContact CG-CZ 3.97Å; R496-E522 WeakPolarHBondContact CD-OE1 3.48Å; R496-E522 WeakPolarHBondContact CG-OE1 3.4Å; R496-E522 IonicContact NE-OE1 2.75Å; R496-E522 PolarHBondContact NE-OE1 2.82Å; R496-E522 IonicContact NE-OE2 2.7Å; R496-D527 IonicContact NH2-OD1 2.77Å; R496-D527 PolarHBondContact NH2-OD1 2.74Å |
| 497 | S | 93.2 | Very high | 90.3 | Very high | 62 Ų | 62 | 63.6 Ų | 63.6 | 43% | 0.434 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.2 | -41.4 | 178.3 | 78.3 | 0 | 0 | 0 | 0 | 111.2 | E493 R494 T500 S501 | E493-S497 PolarHBondContact O-N 2.91Å; R494-S497 WeakPolarHBondContact CA-OG 3.39Å; R494-S497 WeakPolarHBondContact O-CB 3.36Å; R494-S497 PolarHBondContact O-N 3.39Å; R494-S497 PolarHBondContact O-OG 2.78Å; S497-T500 PolarHBondContact O-N 2.92Å; S497-S501 PolarHBondContact O-N 3.24Å; S497-S501 PolarHBondContact O-OG 3.21Å |
| 498 | L | 91.8 | Very high | 90 | Very high | 21 Ų | 21 | 60.3 Ų | 60.3 | 11% | 0.11 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.9 | -45.8 | 176.4 | -66.4 | 170.4 | 0 | 0 | 0 | 112.1 | L478 Y481 A482 R494 A495 R496 T500 S501 L502 | L478-L498 HydrophobicContact CD1-CB 4.05Å; L478-L498 HydrophobicContact CD1-CD2 4.1Å; Y481-L498 HydrophobicContact CD1-CD1 3.33Å; Y481-L498 HydrophobicContact CD1-CD2 3.74Å; Y481-L498 HydrophobicContact CD1-CG 4.18Å; Y481-L498 HydrophobicContact CD2-CD1 4.4Å; Y481-L498 HydrophobicContact CE1-CD1 3.54Å; Y481-L498 HydrophobicContact CE1-CD2 3.64Å; Y481-L498 HydrophobicContact CE1-CG 4.21Å; Y481-L498 HydrophobicContact CG-CD1 3.79Å; A482-L498 HydrophobicContact CB-CD1 4.32Å; R494-L498 WeakPolarHBondContact O-CG 3.37Å; R494-L498 PolarHBondContact O-N 3.26Å; A495-L498 PolarHBondContact O-N 3.24Å; R496-L498 VanDerWaalsContact C-N 3.3Å; R496-L498 PolarHBondContact O-N 3.45Å; L498-T500 VanDerWaalsContact C-N 3.34Å; L498-T500 PolarHBondContact O-N 3.12Å; L498-S501 WeakPolarHBondContact CA-OG 3.4Å; L498-S501 PolarHBondContact O-N 2.98Å; L498-S501 PolarHBondContact O-OG 3.47Å; L498-L502 PolarHBondContact O-N 2.86Å; L498-L502 VanDerWaalsContact O-N 3.11Å |
| 499 | W | 92 | Very high | 89.7 | Confident | 6 Ų | 6 | 57.3 Ų | 57.3 | 2% | 0.023 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64 | -41.2 | 174.8 | -75.4 | 120 | 0 | 0 | 0 | 112.4 | N479 A482 A495 R496 S501 L502 I503 P517 Y518 F521 | N479-W499 HydrophobicContact CB-CH2 4.14Å; N479-W499 HydrophobicContact CB-CZ2 4.44Å; N479-W499 VanDerWaalsContact CG-CH2 3.49Å; N479-W499 WeakPolarHBondContact OD1-CH2 3.42Å; N479-W499 WeakPolarHBondContact OD1-CZ3 3.41Å; A482-W499 HydrophobicContact CB-CZ2 4.33Å; A495-W499 PolarHBondContact O-N 2.95Å; R496-W499 PolarHBondContact O-N 3.24Å; W499-S501 VanDerWaalsContact C-N 3.34Å; W499-S501 PolarHBondContact O-N 3.3Å; W499-L502 HydrophobicContact CE3-CD2 4.01Å; W499-L502 HydrophobicContact CZ3-CD2 3.83Å; W499-L502 PolarHBondContact O-N 3.39Å; W499-I503 WeakPolarHBondContact O-CG1 2.9Å; W499-I503 PolarHBondContact O-N 3.32Å; W499-P517 HydrophobicContact CH2-CB 3.38Å; W499-P517 HydrophobicContact CH2-CG 4.43Å; W499-P517 HydrophobicContact CZ2-CB 3.99Å; W499-P517 HydrophobicContact CZ3-CB 4.13Å; W499-Y518 HydrophobicContact CB-CD1 3.8Å; W499-Y518 HydrophobicContact CB-CD2 3.55Å; W499-Y518 HydrophobicContact CB-CE1 3.71Å; W499-Y518 HydrophobicContact CB-CE2 3.52Å; W499-Y518 HydrophobicContact CB-CG 3.73Å; W499-Y518 AromaticContact CD1-CD2 3.46Å; W499-Y518 VanDerWaalsContact CD1-CD2 3.46Å; W499-Y518 AromaticContact CD1-CE2 3.74Å; W499-Y518 AromaticContact CD2-CD2 3.93Å; W499-Y518 HydrophobicContact CD2-CD2 3.93Å; W499-Y518 AromaticContact CD2-CG 3.95Å; W499-Y518 HydrophobicContact CD2-CG 3.95Å; W499-Y518 HydrophobicContact CE3-CG 4.28Å; W499-Y518 HydrophobicContact CG-CD1 4.29Å; W499-Y518 AromaticContact CG-CD2 3.35Å; W499-Y518 HydrophobicContact CG-CD2 3.35Å; W499-Y518 AromaticContact CG-CE2 3.72Å; W499-Y518 HydrophobicContact CG-CE2 3.72Å; W499-Y518 AromaticContact CG-CG 3.71Å; W499-Y518 HydrophobicContact CG-CG 3.71Å; W499-F521 AromaticContact CD1-CD1 3.86Å; W499-F521 AromaticContact CD1-CG 3.97Å; W499-F521 AromaticContact NE1-CD1 3.96Å; W499-F521 AromaticContact NE1-CG 3.59Å |
| 500 | T | 91.6 | Very high | 89.5 | Confident | 49 Ų | 49 | 58.5 Ų | 58.5 | 30% | 0.301 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65 | -39.5 | 179.4 | -58.9 | 0 | 0 | 0 | 0 | 111.1 | R496 S497 L498 K504 | R496-T500 VanDerWaalsContact O-CB 3.31Å; R496-T500 WeakPolarHBondContact O-CB 3.43Å; R496-T500 PolarHBondContact O-N 3.39Å; R496-T500 PolarHBondContact O-OG1 2.89Å; S497-T500 PolarHBondContact O-N 2.92Å; L498-T500 VanDerWaalsContact C-N 3.34Å; L498-T500 PolarHBondContact O-N 3.12Å; T500-K504 HydrophobicContact CG2-CD 4.21Å; T500-K504 WeakPolarHBondContact O-CB 3.29Å; T500-K504 VanDerWaalsContact O-CG 3.23Å; T500-K504 WeakPolarHBondContact O-CG 3.12Å; T500-K504 PolarHBondContact O-N 2.91Å |
| 501 | S | 89 | Confident | 89.3 | Confident | 53 Ų | 53 | 55 Ų | 55 | 37% | 0.371 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.3 | -39.6 | 174.8 | 54 | 0 | 0 | 0 | 0 | 111.9 | S497 L498 W499 | S497-S501 PolarHBondContact O-N 3.24Å; S497-S501 PolarHBondContact O-OG 3.21Å; L498-S501 WeakPolarHBondContact CA-OG 3.4Å; L498-S501 PolarHBondContact O-N 2.98Å; L498-S501 PolarHBondContact O-OG 3.47Å; W499-S501 VanDerWaalsContact C-N 3.34Å; W499-S501 PolarHBondContact O-N 3.3Å |
| 502 | L | 86.7 | Confident | 89.1 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.2 | -46.4 | 178 | -179.8 | 69.9 | 0 | 0 | 0 | 112.7 | W475 L478 L498 W499 K504 L505 H508 Y514 | W475-L502 HydrophobicContact CD2-CD1 3.64Å; W475-L502 HydrophobicContact CE3-CD1 3.77Å; W475-L502 HydrophobicContact CG-CD1 4.01Å; W475-L502 HydrophobicContact CZ2-CD1 4.5Å; W475-L502 HydrophobicContact CZ3-CD1 4.26Å; L478-L502 HydrophobicContact CD2-CB 3.44Å; L478-L502 VanDerWaalsContact CD2-CB 3.44Å; L478-L502 HydrophobicContact CD2-CD1 3.99Å; L478-L502 HydrophobicContact CD2-CD2 3.5Å; L478-L502 VanDerWaalsContact CD2-CD2 3.5Å; L478-L502 HydrophobicContact CD2-CG 3.8Å; L498-L502 PolarHBondContact O-N 2.86Å; L498-L502 VanDerWaalsContact O-N 3.11Å; W499-L502 HydrophobicContact CE3-CD2 4.01Å; W499-L502 HydrophobicContact CZ3-CD2 3.83Å; W499-L502 PolarHBondContact O-N 3.39Å; L502-K504 VanDerWaalsContact C-N 3.27Å; L502-K504 PolarHBondContact O-N 3.27Å; L502-L505 HydrophobicContact CD1-CD1 3.94Å; L502-L505 WeakPolarHBondContact O-CB 3.46Å; L502-L505 WeakPolarHBondContact O-CD1 3.21Å; L502-L505 WeakPolarHBondContact O-CG 3.45Å; L502-L505 PolarHBondContact O-N 3.34Å; L502-H508 WeakPolarHBondContact CD1-ND1 3.33Å; L502-H508 WeakPolarHBondContact O-CB 3.49Å; L502-H508 PolarHBondContact O-ND1 3.35Å; L502-Y514 HydrophobicContact CD2-CD1 3.9Å; L502-Y514 HydrophobicContact CD2-CG 4.42Å |
| 503 | I | 89.4 | Confident | 88.8 | Confident | 22 Ų | 22 | 53.3 Ų | 53.3 | 11% | 0.113 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -69.3 | -27.2 | -177.1 | -69.2 | -59.3 | 0 | 0 | 0 | 112.4 | W499 L505 W515 Y518 | W499-I503 WeakPolarHBondContact O-CG1 2.9Å; W499-I503 PolarHBondContact O-N 3.32Å; I503-L505 PolarHBondContact O-N 3.42Å; I503-W515 HydrophobicContact CB-CH2 4.48Å; I503-W515 HydrophobicContact CD1-CD2 4.05Å; I503-W515 HydrophobicContact CD1-CE3 4.25Å; I503-W515 HydrophobicContact CD1-CZ2 4.27Å; I503-W515 HydrophobicContact CD1-CZ3 4.48Å; I503-W515 HydrophobicContact CG1-CE3 4.48Å; I503-W515 HydrophobicContact CG1-CH2 4.34Å; I503-W515 HydrophobicContact CG1-CZ3 4.3Å; I503-W515 HydrophobicContact CG2-CH2 3.41Å; I503-W515 VanDerWaalsContact CG2-CH2 3.41Å; I503-W515 HydrophobicContact CG2-CZ2 3.46Å; I503-W515 VanDerWaalsContact CG2-CZ2 3.46Å; I503-W515 HydrophobicContact CG2-CZ3 4.16Å; I503-Y518 HydrophobicContact CG1-CD1 4.26Å |
| 504 | K | 88.2 | Confident | 88.5 | Confident | 167 Ų | 167 | 46.9 Ų | 46.9 | 73% | 0.726 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -12.8 | 175.7 | -79.5 | 175.6 | 177.2 | -178.3 | 0 | 113.4 | T500 L502 | T500-K504 HydrophobicContact CG2-CD 4.21Å; T500-K504 WeakPolarHBondContact O-CB 3.29Å; T500-K504 VanDerWaalsContact O-CG 3.23Å; T500-K504 WeakPolarHBondContact O-CG 3.12Å; T500-K504 PolarHBondContact O-N 2.91Å; L502-K504 VanDerWaalsContact C-N 3.27Å; L502-K504 PolarHBondContact O-N 3.27Å |
| 505 | L | 83.7 | Confident | 88.5 | Confident | 43 Ų | 43 | 42.9 Ų | 42.9 | 23% | 0.225 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -69.6 | 146 | 178.1 | -59.9 | 168.7 | 0 | 0 | 0 | 111.5 | F464 W475 L502 I503 G507 H508 | F464-L505 HydrophobicContact CD1-CD1 4.43Å; F464-L505 HydrophobicContact CD1-CD2 4.42Å; F464-L505 HydrophobicContact CE1-CD1 3.37Å; F464-L505 HydrophobicContact CE1-CD2 3.59Å; F464-L505 HydrophobicContact CE1-CG 4.03Å; F464-L505 HydrophobicContact CZ-CD1 3.93Å; F464-L505 HydrophobicContact CZ-CD2 4.39Å; W475-L505 HydrophobicContact CH2-CD1 4.37Å; W475-L505 HydrophobicContact CZ2-CD1 4.4Å; L502-L505 HydrophobicContact CD1-CD1 3.94Å; L502-L505 WeakPolarHBondContact O-CB 3.46Å; L502-L505 WeakPolarHBondContact O-CD1 3.21Å; L502-L505 WeakPolarHBondContact O-CG 3.45Å; L502-L505 PolarHBondContact O-N 3.34Å; I503-L505 PolarHBondContact O-N 3.42Å; L505-G507 PolarHBondContact O-N 3.27Å; L505-H508 HydrophobicContact CB-CB 4.28Å; L505-H508 PolarHBondContact O-N 2.97Å |
| 506 | P | 81.5 | Confident | 88.4 | Confident | 123 Ų | 123 | 44.1 Ų | 44.1 | 80% | 0.799 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 129.9 | 178.7 | -24.7 | 33.9 | 0 | 0 | 0 | 111.9 | H508 | P506-H508 PolarHBondContact O-CD2 2.76Å; P506-H508 PolarHBondContact O-N 3.03Å; P506-H508 VanDerWaalsContact O-N 3.12Å |
| 507 | G | 82 | Confident | 88.3 | Confident | 47 Ų | 47 | 43.4 Ų | 43.4 | 49% | 0.485 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77 | -15.6 | 177 | 0 | 0 | 0 | 0 | 0 | 116.1 | L505 S510 | L505-G507 PolarHBondContact O-N 3.27Å; G507-S510 PolarHBondContact O-N 3.31Å; G507-S510 PolarHBondContact O-OG 2.77Å |
| 508 | H | 84.3 | Confident | 88.3 | Confident | 26 Ų | 26 | 40.7 Ų | 40.7 | 12% | 0.12 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -70.8 | -39.1 | 178.7 | -74.3 | -141.8 | 0 | 0 | 0 | 111.5 | W475 L502 L505 P506 S510 R511 Y514 | W475-H508 AromaticContact CE2-CE1 3.56Å; W475-H508 AromaticContact CZ2-CE1 3.74Å; W475-H508 AromaticContact NE1-CE1 3.34Å; W475-H508 PolarHBondContact NE1-CE1 3.07Å; W475-H508 VanDerWaalsContact NE1-CE1 3.34Å; L502-H508 WeakPolarHBondContact CD1-ND1 3.33Å; L502-H508 WeakPolarHBondContact O-CB 3.49Å; L502-H508 PolarHBondContact O-ND1 3.35Å; L505-H508 HydrophobicContact CB-CB 4.28Å; L505-H508 PolarHBondContact O-N 2.97Å; P506-H508 PolarHBondContact O-CD2 2.76Å; P506-H508 PolarHBondContact O-N 3.03Å; P506-H508 VanDerWaalsContact O-N 3.12Å; H508-S510 PolarHBondContact O-N 2.88Å; H508-R511 PolarHBondContact O-N 3.08Å; H508-Y514 HydrophobicContact CB-CD2 3.78Å; H508-Y514 HydrophobicContact CB-CE2 3.94Å; H508-Y514 HydrophobicContact CB-CG 4.44Å; H508-Y514 AromaticContact CG-CE2 3.7Å; H508-Y514 AromaticContact ND1-CE2 3.82Å; H508-Y514 AromaticContact ND1-CZ 3.82Å; H508-Y514 VanDerWaalsContact O-CD2 3.31Å; H508-Y514 WeakPolarHBondContact O-CD2 3.16Å |
| 509 | G | 86.3 | Confident | 88.4 | Confident | 17 Ų | 17 | 39.7 Ų | 39.7 | 18% | 0.175 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -59.4 | -17.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | W515 S541 | G509-W515 PolarHBondContact O-NE1 3.23Å; G509-S541 CarbonylContact O-C 3.55Å; G509-S541 WeakPolarHBondContact O-CB 3.31Å; G509-S541 PolarHBondContact O-OG 3.31Å |
| 510 | S | 88.3 | Confident | 88.4 | Confident | 43 Ų | 43 | 43.2 Ų | 43.2 | 30% | 0.301 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -97.2 | -2.5 | -178.9 | 63.6 | 0 | 0 | 0 | 0 | 115.1 | G507 H508 S541 I542 N543 | G507-S510 PolarHBondContact O-N 3.31Å; G507-S510 PolarHBondContact O-OG 2.77Å; H508-S510 PolarHBondContact O-N 2.88Å; S510-S541 WeakPolarHBondContact CA-O 3.34Å; S510-I542 WeakPolarHBondContact O-CD1 3.5Å; S510-N543 WeakPolarHBondContact O-CB 3.46Å; S510-N543 PolarHBondContact O-N 3.33Å; S510-N543 PolarHBondContact O-OD1 2.9Å |
| 511 | R | 87.6 | Confident | 88.4 | Confident | 62 Ų | 62 | 41.2 Ų | 41.2 | 23% | 0.234 | 23% | 0.23 | C | C | . | . | trans | -108.6 | 134.4 | -179.3 | -68 | 173.3 | 65.1 | 161.9 | 8.2 | 111.7 | S471 H508 E513 Y514 W515 | S471-R511 PolarHBondContact O-NH1 2.92Å; H508-R511 PolarHBondContact O-N 3.08Å; R511-E513 IonicContact CZ-OE2 3.13Å; R511-E513 VanDerWaalsContact CZ-OE2 3.27Å; R511-E513 IonicContact NE-OE2 3.39Å; R511-E513 PolarHBondContact NE-OE2 2.91Å; R511-E513 IonicContact NH2-OE1 2.66Å; R511-E513 PolarHBondContact NH2-OE1 2.91Å; R511-E513 IonicContact NH2-OE2 3.72Å; R511-E513 PolarHBondContact NH2-OE2 3.38Å; R511-E513 PolarHBondContact O-N 3.37Å; R511-Y514 HydrophobicContact CB-CD2 3.9Å; R511-Y514 HydrophobicContact CB-CE2 3.97Å; R511-Y514 HydrophobicContact CG-CE2 4.5Å; R511-W515 VanDerWaalsContact O-CD1 3.3Å | ||
| 512 | A | 88.9 | Confident | 88.6 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.2 | -27.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y514 W515 I516 I542 Q546 L550 | A512-Y514 PolarHBondContact O-N 3.21Å; A512-Y514 VanDerWaalsContact O-N 3.12Å; A512-W515 PolarHBondContact O-N 3.03Å; A512-W515 VanDerWaalsContact O-N 3.15Å; A512-I516 HydrophobicContact CB-CD1 4.02Å; A512-I516 HydrophobicContact CB-CG1 4.47Å; A512-I516 WeakPolarHBondContact O-CB 3.16Å; A512-I516 VanDerWaalsContact O-CG1 3.27Å; A512-I516 WeakPolarHBondContact O-CG1 3.37Å; A512-I516 PolarHBondContact O-N 3.25Å; A512-I542 HydrophobicContact CB-CD1 3.77Å; A512-Q546 HydrophobicContact CB-CB 3.81Å; A512-L550 HydrophobicContact CB-CB 4.08Å |
| 513 | E | 85.9 | Confident | 88.7 | Confident | 96 Ų | 96 | 40.8 Ų | 40.8 | 45% | 0.449 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -53.9 | -30.9 | -179 | -66.7 | 166.1 | -165.4 | 0 | 0 | 113.8 | R511 P517 | R511-E513 IonicContact CZ-OE2 3.13Å; R511-E513 VanDerWaalsContact CZ-OE2 3.27Å; R511-E513 IonicContact NE-OE2 3.39Å; R511-E513 PolarHBondContact NE-OE2 2.91Å; R511-E513 IonicContact NH2-OE1 2.66Å; R511-E513 PolarHBondContact NH2-OE1 2.91Å; R511-E513 IonicContact NH2-OE2 3.72Å; R511-E513 PolarHBondContact NH2-OE2 3.38Å; R511-E513 PolarHBondContact O-N 3.37Å; E513-P517 WeakPolarHBondContact O-CD 2.95Å; E513-P517 VanDerWaalsContact O-CG 3.3Å; E513-P517 WeakPolarHBondContact O-CG 3.1Å |
| 514 | Y | 88.4 | Confident | 88.8 | Confident | 14 Ų | 14 | 44.7 Ų | 44.7 | 6% | 0.055 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -93.9 | -31.6 | 179.5 | -52.3 | -60.2 | 0 | 0 | 0 | 112.8 | W475 L502 H508 R511 A512 | W475-Y514 HydrophobicContact CB-CE1 4.35Å; W475-Y514 AromaticContact CD1-CE1 3.45Å; W475-Y514 VanDerWaalsContact CD1-CE1 3.45Å; W475-Y514 AromaticContact CD1-CZ 3.94Å; W475-Y514 HydrophobicContact CG-CE1 4.06Å; L502-Y514 HydrophobicContact CD2-CD1 3.9Å; L502-Y514 HydrophobicContact CD2-CG 4.42Å; H508-Y514 HydrophobicContact CB-CD2 3.78Å; H508-Y514 HydrophobicContact CB-CE2 3.94Å; H508-Y514 HydrophobicContact CB-CG 4.44Å; H508-Y514 AromaticContact CG-CE2 3.7Å; H508-Y514 AromaticContact ND1-CE2 3.82Å; H508-Y514 AromaticContact ND1-CZ 3.82Å; H508-Y514 VanDerWaalsContact O-CD2 3.31Å; H508-Y514 WeakPolarHBondContact O-CD2 3.16Å; R511-Y514 HydrophobicContact CB-CD2 3.9Å; R511-Y514 HydrophobicContact CB-CE2 3.97Å; R511-Y514 HydrophobicContact CG-CE2 4.5Å; A512-Y514 PolarHBondContact O-N 3.21Å; A512-Y514 VanDerWaalsContact O-N 3.12Å |
| 515 | W | 92.7 | Very high | 88.8 | Confident | 5 Ų | 5 | 39.7 Ų | 39.7 | 2% | 0.019 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -73.6 | -38.9 | 177.5 | -70.6 | 112.1 | 0 | 0 | 0 | 113 | I503 G509 R511 A512 Y518 I519 I534 M537 A538 S541 L550 | I503-W515 HydrophobicContact CB-CH2 4.48Å; I503-W515 HydrophobicContact CD1-CD2 4.05Å; I503-W515 HydrophobicContact CD1-CE3 4.25Å; I503-W515 HydrophobicContact CD1-CZ2 4.27Å; I503-W515 HydrophobicContact CD1-CZ3 4.48Å; I503-W515 HydrophobicContact CG1-CE3 4.48Å; I503-W515 HydrophobicContact CG1-CH2 4.34Å; I503-W515 HydrophobicContact CG1-CZ3 4.3Å; I503-W515 HydrophobicContact CG2-CH2 3.41Å; I503-W515 VanDerWaalsContact CG2-CH2 3.41Å; I503-W515 HydrophobicContact CG2-CZ2 3.46Å; I503-W515 VanDerWaalsContact CG2-CZ2 3.46Å; I503-W515 HydrophobicContact CG2-CZ3 4.16Å; G509-W515 PolarHBondContact O-NE1 3.23Å; R511-W515 VanDerWaalsContact O-CD1 3.3Å; A512-W515 PolarHBondContact O-N 3.03Å; A512-W515 VanDerWaalsContact O-N 3.15Å; W515-Y518 HydrophobicContact CE3-CD1 4.29Å; W515-Y518 HydrophobicContact CZ3-CD1 4.2Å; W515-Y518 PolarHBondContact O-N 2.79Å; W515-I519 HydrophobicContact CB-CD1 4.41Å; W515-I519 WeakPolarHBondContact O-CB 3.29Å; W515-I519 VanDerWaalsContact O-CG1 3.26Å; W515-I519 WeakPolarHBondContact O-CG1 3.05Å; W515-I519 PolarHBondContact O-N 3.08Å; W515-I534 HydrophobicContact CE3-CG2 4.12Å; W515-I534 HydrophobicContact CZ3-CG2 4.12Å; W515-M537 HydrophobicContact CH2-CB 3.86Å; W515-M537 HydrophobicContact CH2-CE 4.4Å; W515-M537 HydrophobicContact CZ3-CB 4.19Å; W515-A538 HydrophobicContact CB-CB 3.93Å; W515-A538 HydrophobicContact CD2-CB 3.46Å; W515-A538 VanDerWaalsContact CD2-CB 3.46Å; W515-A538 HydrophobicContact CE3-CB 3.58Å; W515-A538 HydrophobicContact CG-CB 3.62Å; W515-A538 HydrophobicContact CZ3-CB 4.23Å; W515-S541 VanDerWaalsContact CE2-OG 3.29Å; W515-S541 WeakPolarHBondContact CZ2-OG 3.46Å; W515-S541 PolarHBondContact NE1-OG 3.05Å; W515-S541 VanDerWaalsContact NE1-OG 3.16Å; W515-L550 HydrophobicContact CB-CD1 3.73Å |
| 516 | I | 92.6 | Very high | 89 | Confident | 27 Ų | 27 | 38.8 Ų | 38.8 | 14% | 0.138 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.2 | -52.2 | -176.7 | -70.2 | 167.4 | 0 | 0 | 0 | 111.1 | A512 Y518 I519 Q520 L549 L550 V553 | A512-I516 HydrophobicContact CB-CD1 4.02Å; A512-I516 HydrophobicContact CB-CG1 4.47Å; A512-I516 WeakPolarHBondContact O-CB 3.16Å; A512-I516 VanDerWaalsContact O-CG1 3.27Å; A512-I516 WeakPolarHBondContact O-CG1 3.37Å; A512-I516 PolarHBondContact O-N 3.25Å; I516-Y518 VanDerWaalsContact C-N 3.31Å; I516-Y518 PolarHBondContact O-N 2.88Å; I516-I519 PolarHBondContact O-N 2.91Å; I516-Q520 WeakPolarHBondContact O-CB 3.31Å; I516-Q520 VanDerWaalsContact O-CG 3.29Å; I516-Q520 WeakPolarHBondContact O-CG 3.49Å; I516-Q520 PolarHBondContact O-N 3.16Å; I516-L549 HydrophobicContact CD1-CD2 4.07Å; I516-L549 HydrophobicContact CD1-CG 4.08Å; I516-L550 HydrophobicContact CG1-CD1 4.21Å; I516-V553 HydrophobicContact CD1-CG2 4.12Å; I516-V553 HydrophobicContact CG1-CB 4.3Å; I516-V553 HydrophobicContact CG1-CG1 4.12Å; I516-V553 HydrophobicContact CG1-CG2 4.11Å; I516-V553 HydrophobicContact CG2-CG1 4.25Å |
| 517 | P | 89.5 | Confident | 89.4 | Confident | 28 Ų | 28 | 36 Ų | 36 | 18% | 0.182 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.1 | -35.3 | 175.3 | -27.2 | 38.7 | 0 | 0 | 0 | 113.6 | W499 E513 Q520 F521 | W499-P517 HydrophobicContact CH2-CB 3.38Å; W499-P517 HydrophobicContact CH2-CG 4.43Å; W499-P517 HydrophobicContact CZ2-CB 3.99Å; W499-P517 HydrophobicContact CZ3-CB 4.13Å; E513-P517 WeakPolarHBondContact O-CD 2.95Å; E513-P517 VanDerWaalsContact O-CG 3.3Å; E513-P517 WeakPolarHBondContact O-CG 3.1Å; P517-Q520 PolarHBondContact O-N 3.23Å; P517-F521 WeakPolarHBondContact O-CB 3.24Å; P517-F521 PolarHBondContact O-N 3.28Å |
| 518 | Y | 93.5 | Very high | 89.7 | Confident | 4 Ų | 4 | 37.4 Ų | 37.4 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69 | -41.7 | 178.3 | -170.3 | -168.3 | 0 | 0 | 0 | 111.9 | W499 I503 W515 I516 F521 E522 I534 | W499-Y518 HydrophobicContact CB-CD1 3.8Å; W499-Y518 HydrophobicContact CB-CD2 3.55Å; W499-Y518 HydrophobicContact CB-CE1 3.71Å; W499-Y518 HydrophobicContact CB-CE2 3.52Å; W499-Y518 HydrophobicContact CB-CG 3.73Å; W499-Y518 AromaticContact CD1-CD2 3.46Å; W499-Y518 VanDerWaalsContact CD1-CD2 3.46Å; W499-Y518 AromaticContact CD1-CE2 3.74Å; W499-Y518 AromaticContact CD2-CD2 3.93Å; W499-Y518 HydrophobicContact CD2-CD2 3.93Å; W499-Y518 AromaticContact CD2-CG 3.95Å; W499-Y518 HydrophobicContact CD2-CG 3.95Å; W499-Y518 HydrophobicContact CE3-CG 4.28Å; W499-Y518 HydrophobicContact CG-CD1 4.29Å; W499-Y518 AromaticContact CG-CD2 3.35Å; W499-Y518 HydrophobicContact CG-CD2 3.35Å; W499-Y518 AromaticContact CG-CE2 3.72Å; W499-Y518 HydrophobicContact CG-CE2 3.72Å; W499-Y518 AromaticContact CG-CG 3.71Å; W499-Y518 HydrophobicContact CG-CG 3.71Å; I503-Y518 HydrophobicContact CG1-CD1 4.26Å; W515-Y518 HydrophobicContact CE3-CD1 4.29Å; W515-Y518 HydrophobicContact CZ3-CD1 4.2Å; W515-Y518 PolarHBondContact O-N 2.79Å; I516-Y518 VanDerWaalsContact C-N 3.31Å; I516-Y518 PolarHBondContact O-N 2.88Å; Y518-F521 AromaticContact CD2-CD1 3.81Å; Y518-F521 HydrophobicContact CD2-CD1 3.81Å; Y518-F521 AromaticContact CE2-CD1 3.83Å; Y518-F521 HydrophobicContact CE2-CD1 3.83Å; Y518-F521 HydrophobicContact CE2-CE1 4.15Å; Y518-F521 WeakPolarHBondContact O-CB 3.41Å; Y518-F521 PolarHBondContact O-N 3.28Å; Y518-E522 HydrophobicContact CD2-CG 4.29Å; Y518-E522 HydrophobicContact CE2-CG 3.98Å; Y518-E522 PolarHBondContact O-N 3.05Å; Y518-I534 HydrophobicContact CD1-CD1 4.14Å; Y518-I534 HydrophobicContact CD1-CG1 4.45Å; Y518-I534 HydrophobicContact CD1-CG2 3.91Å; Y518-I534 HydrophobicContact CE1-CD1 3.33Å; Y518-I534 HydrophobicContact CE1-CG1 3.91Å; Y518-I534 HydrophobicContact CE1-CG2 4.2Å; Y518-I534 HydrophobicContact CE2-CD1 4.47Å; Y518-I534 HydrophobicContact CE2-CG1 4.28Å; Y518-I534 HydrophobicContact CG-CG2 4.15Å; Y518-I534 WeakPolarHBondContact OH-CD1 3.43Å |
| 519 | I | 93.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.6 | -48.6 | 171.9 | -69.6 | 163.1 | 0 | 0 | 0 | 109.5 | W515 I516 F521 E522 Q523 L531 I534 A538 L550 V554 A557 | W515-I519 HydrophobicContact CB-CD1 4.41Å; W515-I519 WeakPolarHBondContact O-CB 3.29Å; W515-I519 VanDerWaalsContact O-CG1 3.26Å; W515-I519 WeakPolarHBondContact O-CG1 3.05Å; W515-I519 PolarHBondContact O-N 3.08Å; I516-I519 PolarHBondContact O-N 2.91Å; I519-F521 PolarHBondContact O-N 3.3Å; I519-E522 PolarHBondContact O-N 2.93Å; I519-E522 VanDerWaalsContact O-N 3.11Å; I519-Q523 HydrophobicContact CG2-CG 4.24Å; I519-Q523 VanDerWaalsContact O-CG 3.28Å; I519-Q523 WeakPolarHBondContact O-CG 3.17Å; I519-Q523 PolarHBondContact O-N 3Å; I519-L531 HydrophobicContact CG2-CD1 3.99Å; I519-I534 HydrophobicContact CG1-CG2 3.94Å; I519-A538 HydrophobicContact CD1-CB 4.24Å; I519-L550 HydrophobicContact CD1-CD1 3.88Å; I519-V554 HydrophobicContact CD1-CG2 3.68Å; I519-A557 HydrophobicContact CG2-CB 3.67Å |
| 520 | Q | 91.7 | Very high | 90.4 | Very high | 81 Ų | 81 | 45.1 Ų | 45.1 | 38% | 0.379 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -58 | -37 | 176.8 | -73.6 | 173.1 | -2.4 | 0 | 0 | 112.4 | I516 P517 Q523 N524 | I516-Q520 WeakPolarHBondContact O-CB 3.31Å; I516-Q520 VanDerWaalsContact O-CG 3.29Å; I516-Q520 WeakPolarHBondContact O-CG 3.49Å; I516-Q520 PolarHBondContact O-N 3.16Å; P517-Q520 PolarHBondContact O-N 3.23Å; Q520-Q523 PolarHBondContact O-N 3.17Å; Q520-N524 WeakPolarHBondContact O-CB 3.21Å; Q520-N524 PolarHBondContact O-N 2.73Å; Q520-N524 PolarHBondContact O-ND2 3.18Å |
| 521 | F | 92.3 | Very high | 90.6 | Very high | 7 Ų | 7 | 43.2 Ų | 43.2 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.7 | -50 | 173.3 | 159.7 | -90.1 | 0 | 0 | 0 | 111.8 | A486 A495 R496 W499 P517 Y518 I519 Q523 N524 W525 G526 | A486-F521 HydrophobicContact CB-CD2 4.05Å; A486-F521 HydrophobicContact CB-CE2 3.57Å; A495-F521 HydrophobicContact CB-CD2 4.36Å; A495-F521 HydrophobicContact CB-CE2 3.41Å; A495-F521 VanDerWaalsContact CB-CE2 3.41Å; A495-F521 HydrophobicContact CB-CZ 3.6Å; R496-F521 HydrophobicContact CG-CE1 3.61Å; R496-F521 HydrophobicContact CG-CZ 3.97Å; W499-F521 AromaticContact CD1-CD1 3.86Å; W499-F521 AromaticContact CD1-CG 3.97Å; W499-F521 AromaticContact NE1-CD1 3.96Å; W499-F521 AromaticContact NE1-CG 3.59Å; P517-F521 WeakPolarHBondContact O-CB 3.24Å; P517-F521 PolarHBondContact O-N 3.28Å; Y518-F521 AromaticContact CD2-CD1 3.81Å; Y518-F521 HydrophobicContact CD2-CD1 3.81Å; Y518-F521 AromaticContact CE2-CD1 3.83Å; Y518-F521 HydrophobicContact CE2-CD1 3.83Å; Y518-F521 HydrophobicContact CE2-CE1 4.15Å; Y518-F521 WeakPolarHBondContact O-CB 3.41Å; Y518-F521 PolarHBondContact O-N 3.28Å; I519-F521 PolarHBondContact O-N 3.3Å; F521-Q523 VanDerWaalsContact C-N 3.27Å; F521-Q523 PolarHBondContact O-N 3.28Å; F521-N524 PolarHBondContact O-N 3.4Å; F521-W525 HydrophobicContact CB-CE3 4.38Å; F521-W525 AromaticContact CD2-CE3 3.74Å; F521-W525 HydrophobicContact CD2-CE3 3.74Å; F521-W525 HydrophobicContact CD2-CZ3 4.42Å; F521-W525 HydrophobicContact CE2-CB 4.37Å; F521-W525 HydrophobicContact CE2-CE3 4.45Å; F521-W525 HydrophobicContact CG-CE3 4.39Å; F521-W525 PolarHBondContact O-N 2.91Å; F521-G526 PolarHBondContact O-N 3.41Å |
| 522 | E | 92.8 | Very high | 91 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.009 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.2 | -31.3 | 179.1 | -69.7 | -65.5 | 171.7 | 0 | 0 | 111.9 | R496 Y518 I519 G526 N530 L531 I534 | R496-E522 WeakPolarHBondContact CD-OE1 3.48Å; R496-E522 WeakPolarHBondContact CG-OE1 3.4Å; R496-E522 IonicContact NE-OE1 2.75Å; R496-E522 PolarHBondContact NE-OE1 2.82Å; R496-E522 IonicContact NE-OE2 2.7Å; Y518-E522 HydrophobicContact CD2-CG 4.29Å; Y518-E522 HydrophobicContact CE2-CG 3.98Å; Y518-E522 PolarHBondContact O-N 3.05Å; I519-E522 PolarHBondContact O-N 2.93Å; I519-E522 VanDerWaalsContact O-N 3.11Å; E522-G526 CarbonylContact O-C 3.53Å; E522-G526 WeakPolarHBondContact O-CA 3.49Å; E522-G526 PolarHBondContact O-N 3.45Å; E522-G526 VanDerWaalsContact OE2-CA 3.29Å; E522-G526 WeakPolarHBondContact OE2-CA 3.12Å; E522-N530 WeakPolarHBondContact OE2-CB 3.48Å; E522-L531 HydrophobicContact CB-CB 4.18Å; E522-L531 HydrophobicContact CB-CD1 4.08Å; E522-I534 HydrophobicContact CG-CB 4.48Å; E522-I534 HydrophobicContact CG-CG1 4.05Å |
| 523 | Q | 90.3 | Very high | 91.3 | Very high | 41 Ų | 41 | 45.9 Ų | 45.9 | 19% | 0.192 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.2 | -43.3 | 173.3 | -71.9 | -178.4 | -83.6 | 0 | 0 | 112.7 | I519 Q520 F521 L531 A557 T561 | I519-Q523 HydrophobicContact CG2-CG 4.24Å; I519-Q523 VanDerWaalsContact O-CG 3.28Å; I519-Q523 WeakPolarHBondContact O-CG 3.17Å; I519-Q523 PolarHBondContact O-N 3Å; Q520-Q523 PolarHBondContact O-N 3.17Å; F521-Q523 VanDerWaalsContact C-N 3.27Å; F521-Q523 PolarHBondContact O-N 3.28Å; Q523-L531 HydrophobicContact CG-CD1 3.68Å; Q523-L531 HydrophobicContact CG-CD2 4.1Å; Q523-A557 HydrophobicContact CG-CB 3.87Å; Q523-T561 HydrophobicContact CB-CG2 4.47Å; Q523-T561 HydrophobicContact CG-CG2 4.29Å |
| 524 | N | 90.3 | Very high | 91.6 | Very high | 105 Ų | 105 | 41.4 Ų | 41.4 | 56% | 0.561 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -85 | -35.9 | -171.4 | -70.1 | -18.6 | 0 | 0 | 0 | 112.9 | Q520 F521 | Q520-N524 WeakPolarHBondContact O-CB 3.21Å; Q520-N524 PolarHBondContact O-N 2.73Å; Q520-N524 PolarHBondContact O-ND2 3.18Å; F521-N524 PolarHBondContact O-N 3.4Å |
| 525 | W | 89.1 | Confident | 92 | Very high | 62 Ų | 62 | 40.7 Ų | 40.7 | 24% | 0.235 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128 | -16 | -173.5 | -60 | -78.9 | 0 | 0 | 0 | 114 | F483 A486 K487 K492 F521 | F483-W525 AromaticContact CD2-CH2 3.47Å; F483-W525 HydrophobicContact CD2-CH2 3.47Å; F483-W525 VanDerWaalsContact CD2-CH2 3.47Å; F483-W525 AromaticContact CD2-CZ2 3.75Å; F483-W525 HydrophobicContact CD2-CZ2 3.75Å; F483-W525 HydrophobicContact CD2-CZ3 4.29Å; F483-W525 AromaticContact CE2-CH2 3.73Å; F483-W525 HydrophobicContact CE2-CH2 3.73Å; F483-W525 AromaticContact CE2-CZ2 3.68Å; F483-W525 HydrophobicContact CE2-CZ2 3.68Å; A486-W525 HydrophobicContact CB-CB 4.27Å; A486-W525 HydrophobicContact CB-CD2 3.97Å; A486-W525 HydrophobicContact CB-CE3 4.28Å; A486-W525 HydrophobicContact CB-CG 3.93Å; K487-W525 HydrophobicContact CB-CZ2 4.38Å; K492-W525 VanDerWaalsContact CD-O 3.25Å; K492-W525 WeakPolarHBondContact CD-O 3.41Å; K492-W525 WeakPolarHBondContact CE-O 3.2Å; K492-W525 PolarHBondContact NZ-O 3.27Å; F521-W525 HydrophobicContact CB-CE3 4.38Å; F521-W525 AromaticContact CD2-CE3 3.74Å; F521-W525 HydrophobicContact CD2-CE3 3.74Å; F521-W525 HydrophobicContact CD2-CZ3 4.42Å; F521-W525 HydrophobicContact CE2-CB 4.37Å; F521-W525 HydrophobicContact CE2-CE3 4.45Å; F521-W525 HydrophobicContact CG-CE3 4.39Å; F521-W525 PolarHBondContact O-N 2.91Å |
| 526 | G | 87.5 | Confident | 92.1 | Very high | 23 Ų | 23 | 41.1 Ų | 41.1 | 24% | 0.237 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -79.2 | -166.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | F521 E522 | F521-G526 PolarHBondContact O-N 3.41Å; E522-G526 CarbonylContact O-C 3.53Å; E522-G526 WeakPolarHBondContact O-CA 3.49Å; E522-G526 PolarHBondContact O-N 3.45Å; E522-G526 VanDerWaalsContact OE2-CA 3.29Å; E522-G526 WeakPolarHBondContact OE2-CA 3.12Å |
| 527 | D | 88.9 | Confident | 92.2 | Very high | 65 Ų | 65 | 43.8 Ų | 43.8 | 35% | 0.348 | 22% | 0.215 | S | C | . | . | trans | -119.1 | 152.9 | 175.3 | 59.2 | -62.1 | 0 | 0 | 0 | 109.8 | R496 K529 N530 L531 | R496-D527 IonicContact NH2-OD1 2.77Å; R496-D527 PolarHBondContact NH2-OD1 2.74Å; D527-K529 PolarHBondContact O-N 3.16Å; D527-N530 PolarHBondContact O-N 2.94Å; D527-N530 WeakPolarHBondContact OD1-CB 3.11Å; D527-N530 PolarHBondContact OD1-ND2 3.13Å; D527-N530 PolarHBondContact OD2-N 2.82Å; D527-N530 PolarHBondContact OD2-ND2 3.43Å; D527-L531 PolarHBondContact O-N 3.12Å | ||
| 528 | M | 89.7 | Confident | 92.5 | Very high | 76 Ų | 76 | 42.5 Ų | 42.5 | 37% | 0.374 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -54.8 | -34.5 | -174.7 | -173.9 | 177.2 | -70.9 | 0 | 0 | 112.9 | L532 V563 | M528-L532 HydrophobicContact CG-CD1 4.19Å; M528-L532 VanDerWaalsContact O-CG 3.3Å; M528-L532 WeakPolarHBondContact O-CG 3.44Å; M528-L532 PolarHBondContact O-N 3.34Å; M528-L532 VanDerWaalsContact O-N 3.07Å; M528-V563 HydrophobicContact CE-CG2 4.13Å; M528-V563 HydrophobicContact CG-CG2 4.03Å; M528-V563 HydrophobicContact SD-CB 4.42Å; M528-V563 HydrophobicContact SD-CG1 4.37Å; M528-V563 HydrophobicContact SD-CG2 4.09Å |
| 529 | K | 91.9 | Very high | 92.5 | Very high | 171 Ų | 171 | 42.3 Ų | 42.3 | 74% | 0.743 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -66 | -46.4 | 178.4 | -175.4 | -177 | 178.5 | -176.4 | 0 | 111.4 | D527 R533 | D527-K529 PolarHBondContact O-N 3.16Å; K529-R533 WeakPolarHBondContact O-CB 3.38Å; K529-R533 PolarHBondContact O-N 3.47Å; K529-R533 VanDerWaalsContact O-N 3.08Å |
| 530 | N | 92.2 | Very high | 92.5 | Very high | 34 Ų | 34 | 47.2 Ų | 47.2 | 18% | 0.182 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.8 | -39.7 | 177.1 | -83.2 | -58.4 | 0 | 0 | 0 | 112.4 | E522 D527 L532 R533 I534 | E522-N530 WeakPolarHBondContact OE2-CB 3.48Å; D527-N530 PolarHBondContact O-N 2.94Å; D527-N530 WeakPolarHBondContact OD1-CB 3.11Å; D527-N530 PolarHBondContact OD1-ND2 3.13Å; D527-N530 PolarHBondContact OD2-N 2.82Å; D527-N530 PolarHBondContact OD2-ND2 3.43Å; N530-L532 VanDerWaalsContact C-N 3.34Å; N530-L532 PolarHBondContact O-N 3.48Å; N530-R533 WeakPolarHBondContact O-CB 3.45Å; N530-R533 PolarHBondContact O-N 2.97Å; N530-R533 PolarHBondContact OD1-NE 3.1Å; N530-R533 VanDerWaalsContact OD1-NE 3.17Å; N530-R533 PolarHBondContact OD1-NH2 3.46Å; N530-I534 WeakPolarHBondContact O-CG1 3.49Å; N530-I534 PolarHBondContact O-N 3.21Å |
| 531 | L | 94.1 | Very high | 92.6 | Very high | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -54.2 | -51.4 | 173.8 | 176 | 62.2 | 0 | 0 | 0 | 111.4 | I519 E522 Q523 D527 R533 I534 C535 T561 | I519-L531 HydrophobicContact CG2-CD1 3.99Å; E522-L531 HydrophobicContact CB-CB 4.18Å; E522-L531 HydrophobicContact CB-CD1 4.08Å; Q523-L531 HydrophobicContact CG-CD1 3.68Å; Q523-L531 HydrophobicContact CG-CD2 4.1Å; D527-L531 PolarHBondContact O-N 3.12Å; L531-R533 VanDerWaalsContact C-N 3.31Å; L531-R533 PolarHBondContact O-N 3.32Å; L531-I534 PolarHBondContact O-N 2.96Å; L531-C535 WeakPolarHBondContact O-CB 3.35Å; L531-C535 PolarHBondContact O-N 3.48Å; L531-C535 PolarHBondContact O-SG 3.47Å; L531-T561 HydrophobicContact CD2-CG2 3.6Å; L531-T561 WeakPolarHBondContact CD2-OG1 3.15Å |
| 532 | L | 94.7 | Very high | 92.5 | Very high | 23 Ų | 23 | 45 Ų | 45 | 12% | 0.12 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.4 | -36.6 | 180 | -70.1 | 171.6 | 0 | 0 | 0 | 112.7 | M528 N530 A536 V558 V563 Q567 I571 | M528-L532 HydrophobicContact CG-CD1 4.19Å; M528-L532 VanDerWaalsContact O-CG 3.3Å; M528-L532 WeakPolarHBondContact O-CG 3.44Å; M528-L532 PolarHBondContact O-N 3.34Å; M528-L532 VanDerWaalsContact O-N 3.07Å; N530-L532 VanDerWaalsContact C-N 3.34Å; N530-L532 PolarHBondContact O-N 3.48Å; L532-A536 WeakPolarHBondContact O-CB 3.41Å; L532-A536 PolarHBondContact O-N 3.47Å; L532-V558 HydrophobicContact CD2-CG1 4.15Å; L532-V558 HydrophobicContact CD2-CG2 4.19Å; L532-V563 HydrophobicContact CD1-CG1 4.02Å; L532-V563 HydrophobicContact CD2-CG1 4.07Å; L532-V563 HydrophobicContact CD2-CG2 4.4Å; L532-Q567 HydrophobicContact CD1-CB 4.15Å; L532-Q567 HydrophobicContact CD1-CG 4.22Å; L532-I571 HydrophobicContact CD2-CD1 4.23Å; L532-I571 HydrophobicContact CD2-CG1 3.95Å |
| 533 | R | 94.7 | Very high | 92.3 | Very high | 97 Ų | 97 | 47.2 Ų | 47.2 | 37% | 0.366 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.3 | -49.2 | 174.2 | -176.1 | -173.9 | 64.4 | 77.1 | 0.3 | 110.9 | K529 N530 L531 A536 M537 | K529-R533 WeakPolarHBondContact O-CB 3.38Å; K529-R533 PolarHBondContact O-N 3.47Å; K529-R533 VanDerWaalsContact O-N 3.08Å; N530-R533 WeakPolarHBondContact O-CB 3.45Å; N530-R533 PolarHBondContact O-N 2.97Å; N530-R533 PolarHBondContact OD1-NE 3.1Å; N530-R533 VanDerWaalsContact OD1-NE 3.17Å; N530-R533 PolarHBondContact OD1-NH2 3.46Å; L531-R533 VanDerWaalsContact C-N 3.31Å; L531-R533 PolarHBondContact O-N 3.32Å; R533-A536 PolarHBondContact O-N 2.78Å; R533-M537 HydrophobicContact CG-SD 4.25Å; R533-M537 PolarHBondContact NH1-SD 2.79Å; R533-M537 WeakPolarHBondContact O-CG 3.41Å; R533-M537 PolarHBondContact O-N 2.86Å |
| 534 | I | 94.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.9 | -43.8 | -179.8 | -67.2 | -52.2 | 0 | 0 | 0 | 111.6 | W515 Y518 I519 E522 N530 L531 A536 M537 A538 | W515-I534 HydrophobicContact CE3-CG2 4.12Å; W515-I534 HydrophobicContact CZ3-CG2 4.12Å; Y518-I534 HydrophobicContact CD1-CD1 4.14Å; Y518-I534 HydrophobicContact CD1-CG1 4.45Å; Y518-I534 HydrophobicContact CD1-CG2 3.91Å; Y518-I534 HydrophobicContact CE1-CD1 3.33Å; Y518-I534 HydrophobicContact CE1-CG1 3.91Å; Y518-I534 HydrophobicContact CE1-CG2 4.2Å; Y518-I534 HydrophobicContact CE2-CD1 4.47Å; Y518-I534 HydrophobicContact CE2-CG1 4.28Å; Y518-I534 HydrophobicContact CG-CG2 4.15Å; Y518-I534 WeakPolarHBondContact OH-CD1 3.43Å; I519-I534 HydrophobicContact CG1-CG2 3.94Å; E522-I534 HydrophobicContact CG-CB 4.48Å; E522-I534 HydrophobicContact CG-CG1 4.05Å; N530-I534 WeakPolarHBondContact O-CG1 3.49Å; N530-I534 PolarHBondContact O-N 3.21Å; L531-I534 PolarHBondContact O-N 2.96Å; I534-A536 VanDerWaalsContact C-N 3.3Å; I534-A536 PolarHBondContact O-N 3.06Å; I534-M537 HydrophobicContact CD1-SD 4.14Å; I534-M537 PolarHBondContact O-N 2.87Å; I534-A538 WeakPolarHBondContact O-CB 3.48Å; I534-A538 PolarHBondContact O-N 2.79Å |
| 535 | C | 95.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.2 | -44.5 | 173.4 | -72.6 | 0 | 0 | 0 | 0 | 111.8 | L531 A538 I539 V554 I571 | L531-C535 WeakPolarHBondContact O-CB 3.35Å; L531-C535 PolarHBondContact O-N 3.48Å; L531-C535 PolarHBondContact O-SG 3.47Å; C535-A538 PolarHBondContact O-N 2.74Å; C535-I539 WeakPolarHBondContact O-CD1 3.42Å; C535-I539 VanDerWaalsContact O-CG1 3.23Å; C535-I539 WeakPolarHBondContact O-CG1 3.18Å; C535-I539 PolarHBondContact O-N 2.93Å; C535-V554 HydrophobicContact CB-CG1 3.8Å; C535-V554 HydrophobicContact CB-CG2 4.41Å; C535-I571 HydrophobicContact CB-CD1 4.3Å |
| 536 | A | 94.9 | Very high | 91.7 | Very high | 13 Ų | 13 | 50.3 Ų | 50.3 | 11% | 0.107 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.7 | -40.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L532 R533 I534 N540 K574 | L532-A536 WeakPolarHBondContact O-CB 3.41Å; L532-A536 PolarHBondContact O-N 3.47Å; R533-A536 PolarHBondContact O-N 2.78Å; I534-A536 VanDerWaalsContact C-N 3.3Å; I534-A536 PolarHBondContact O-N 3.06Å; A536-N540 VanDerWaalsContact O-CG 3.31Å; A536-N540 PolarHBondContact O-N 2.61Å; A536-N540 PolarHBondContact O-ND2 3.24Å; A536-K574 HydrophobicContact CB-CD 4.36Å |
| 537 | M | 95.3 | Very high | 91.9 | Very high | 84 Ų | 84 | 49.6 Ų | 49.6 | 41% | 0.414 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.6 | -46.8 | 175.1 | -71.6 | 174.9 | 66.1 | 0 | 0 | 111.2 | W515 R533 I534 I539 N540 S541 | W515-M537 HydrophobicContact CH2-CB 3.86Å; W515-M537 HydrophobicContact CH2-CE 4.4Å; W515-M537 HydrophobicContact CZ3-CB 4.19Å; R533-M537 HydrophobicContact CG-SD 4.25Å; R533-M537 PolarHBondContact NH1-SD 2.79Å; R533-M537 WeakPolarHBondContact O-CG 3.41Å; R533-M537 PolarHBondContact O-N 2.86Å; I534-M537 HydrophobicContact CD1-SD 4.14Å; I534-M537 PolarHBondContact O-N 2.87Å; M537-I539 PolarHBondContact O-N 3.19Å; M537-N540 PolarHBondContact O-N 2.89Å; M537-N540 VanDerWaalsContact O-N 3.13Å; M537-S541 PolarHBondContact O-N 3.31Å; M537-S541 VanDerWaalsContact O-N 3.09Å; M537-S541 PolarHBondContact O-OG 3.03Å |
| 538 | A | 94.7 | Very high | 92 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.3 | -45.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | W515 I519 I534 C535 N540 S541 I542 L550 | W515-A538 HydrophobicContact CB-CB 3.93Å; W515-A538 HydrophobicContact CD2-CB 3.46Å; W515-A538 VanDerWaalsContact CD2-CB 3.46Å; W515-A538 HydrophobicContact CE3-CB 3.58Å; W515-A538 HydrophobicContact CG-CB 3.62Å; W515-A538 HydrophobicContact CZ3-CB 4.23Å; I519-A538 HydrophobicContact CD1-CB 4.24Å; I534-A538 WeakPolarHBondContact O-CB 3.48Å; I534-A538 PolarHBondContact O-N 2.79Å; C535-A538 PolarHBondContact O-N 2.74Å; A538-N540 VanDerWaalsContact C-N 3.26Å; A538-N540 PolarHBondContact O-N 2.92Å; A538-S541 PolarHBondContact O-N 3.04Å; A538-S541 PolarHBondContact O-OG 3.26Å; A538-I542 WeakPolarHBondContact O-CB 3.47Å; A538-I542 PolarHBondContact O-N 2.97Å; A538-I542 VanDerWaalsContact O-N 3.16Å; A538-L550 HydrophobicContact CB-CD1 4.32Å; A538-L550 HydrophobicContact CB-CD2 3.89Å; A538-L550 WeakPolarHBondContact O-CD2 3.31Å |
| 539 | I | 95.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.3 | -42.9 | 175.6 | -69.6 | 160.7 | 0 | 0 | 0 | 110.5 | C535 M537 S541 F551 V554 I571 K574 I575 R578 | C535-I539 WeakPolarHBondContact O-CD1 3.42Å; C535-I539 VanDerWaalsContact O-CG1 3.23Å; C535-I539 WeakPolarHBondContact O-CG1 3.18Å; C535-I539 PolarHBondContact O-N 2.93Å; M537-I539 PolarHBondContact O-N 3.19Å; I539-S541 PolarHBondContact O-N 3.01Å; I539-F551 HydrophobicContact CB-CE1 4.5Å; I539-F551 HydrophobicContact CG1-CD1 4.35Å; I539-F551 HydrophobicContact CG1-CE1 4.35Å; I539-F551 HydrophobicContact CG2-CE1 4.09Å; I539-V554 HydrophobicContact CD1-CG1 4.05Å; I539-I571 HydrophobicContact CD1-CD1 4.48Å; I539-I571 HydrophobicContact CD1-CG2 4.19Å; I539-K574 HydrophobicContact CD1-CB 4.41Å; I539-K574 HydrophobicContact CG2-CB 4.44Å; I539-I575 HydrophobicContact CD1-CD1 4.18Å; I539-I575 HydrophobicContact CD1-CG1 3.57Å; I539-I575 HydrophobicContact CG1-CG1 3.95Å; I539-R578 HydrophobicContact CG2-CB 3.72Å; I539-R578 HydrophobicContact CG2-CG 4.09Å; I539-R578 WeakPolarHBondContact O-CD 3.37Å; I539-R578 VanDerWaalsContact O-CG 3.26Å; I539-R578 WeakPolarHBondContact O-CG 3.42Å; I539-R578 PolarHBondContact O-NE 3.48Å |
| 540 | N | 93.8 | Very high | 92.3 | Very high | 104 Ų | 104 | 42.5 Ų | 42.5 | 56% | 0.556 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -73.3 | -28.1 | -175.4 | -71.8 | -11.7 | 0 | 0 | 0 | 113.3 | A536 M537 A538 R578 | A536-N540 VanDerWaalsContact O-CG 3.31Å; A536-N540 PolarHBondContact O-N 2.61Å; A536-N540 PolarHBondContact O-ND2 3.24Å; M537-N540 PolarHBondContact O-N 2.89Å; M537-N540 VanDerWaalsContact O-N 3.13Å; A538-N540 VanDerWaalsContact C-N 3.26Å; A538-N540 PolarHBondContact O-N 2.92Å; N540-R578 PolarHBondContact O-NH2 2.63Å |
| 541 | S | 92 | Very high | 92.5 | Very high | 40 Ų | 40 | 40.9 Ų | 40.9 | 28% | 0.28 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -98.1 | -17.7 | -172.6 | 65.6 | 0 | 0 | 0 | 0 | 114.6 | G509 S510 W515 M537 A538 I539 | G509-S541 CarbonylContact O-C 3.55Å; G509-S541 WeakPolarHBondContact O-CB 3.31Å; G509-S541 PolarHBondContact O-OG 3.31Å; S510-S541 WeakPolarHBondContact CA-O 3.34Å; W515-S541 VanDerWaalsContact CE2-OG 3.29Å; W515-S541 WeakPolarHBondContact CZ2-OG 3.46Å; W515-S541 PolarHBondContact NE1-OG 3.05Å; W515-S541 VanDerWaalsContact NE1-OG 3.16Å; M537-S541 PolarHBondContact O-N 3.31Å; M537-S541 VanDerWaalsContact O-N 3.09Å; M537-S541 PolarHBondContact O-OG 3.03Å; A538-S541 PolarHBondContact O-N 3.04Å; A538-S541 PolarHBondContact O-OG 3.26Å; I539-S541 PolarHBondContact O-N 3.01Å |
| 542 | I | 91.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | trans | -65.3 | 145.8 | -174.4 | -162.8 | 63.5 | 0 | 0 | 0 | 113.9 | S510 A512 A538 Q546 L550 F551 R578 | S510-I542 WeakPolarHBondContact O-CD1 3.5Å; A512-I542 HydrophobicContact CB-CD1 3.77Å; A538-I542 WeakPolarHBondContact O-CB 3.47Å; A538-I542 PolarHBondContact O-N 2.97Å; A538-I542 VanDerWaalsContact O-N 3.16Å; I542-Q546 HydrophobicContact CD1-CB 4.12Å; I542-L550 HydrophobicContact CB-CD2 3.56Å; I542-L550 HydrophobicContact CD1-CB 4.41Å; I542-L550 HydrophobicContact CD1-CD2 3.91Å; I542-L550 HydrophobicContact CG1-CB 4.18Å; I542-L550 HydrophobicContact CG1-CD2 3.65Å; I542-L550 HydrophobicContact CG2-CD2 3.95Å; I542-F551 HydrophobicContact CG2-CE1 4.05Å; I542-F551 HydrophobicContact CG2-CZ 4.29Å; I542-R578 PolarHBondContact O-NH2 3.45Å | ||
| 543 | N | 88.3 | Confident | 92.6 | Very high | 49 Ų | 49 | 45.4 Ų | 45.4 | 26% | 0.262 | 23% | 0.229 | S | C | . | . | trans | -78.1 | 165.9 | 170.8 | 70.2 | 2.2 | 0 | 0 | 0 | 112.7 | S510 Q546 S547 | S510-N543 WeakPolarHBondContact O-CB 3.46Å; S510-N543 PolarHBondContact O-N 3.33Å; S510-N543 PolarHBondContact O-OD1 2.9Å; N543-Q546 WeakPolarHBondContact OD1-CB 3.21Å; N543-Q546 PolarHBondContact OD1-N 3.46Å; N543-S547 VanDerWaalsContact O-CB 3.24Å; N543-S547 WeakPolarHBondContact O-CB 3.48Å; N543-S547 PolarHBondContact O-N 2.87Å | ||
| 544 | F | 87.2 | Confident | 92.6 | Very high | 72 Ų | 72 | 40.8 Ų | 40.8 | 32% | 0.316 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.6 | -48.7 | -177.4 | 177.9 | -110.3 | 0 | 0 | 0 | 112.8 | Q546 S547 L582 M583 V586 | F544-Q546 VanDerWaalsContact C-N 3.29Å; F544-Q546 PolarHBondContact O-N 3.13Å; F544-S547 WeakPolarHBondContact O-CB 3.48Å; F544-S547 PolarHBondContact O-N 3.49Å; F544-S547 VanDerWaalsContact O-N 3.09Å; F544-S547 PolarHBondContact O-OG 2.96Å; F544-L582 HydrophobicContact CB-CD2 4.4Å; F544-L582 HydrophobicContact CD2-CB 3.85Å; F544-M583 HydrophobicContact CE2-CE 4.01Å; F544-M583 HydrophobicContact CE2-CG 4.32Å; F544-M583 HydrophobicContact CE2-SD 3.9Å; F544-M583 HydrophobicContact CZ-CE 4.18Å; F544-M583 HydrophobicContact CZ-SD 4.12Å; F544-V586 HydrophobicContact CB-CG2 4.38Å; F544-V586 HydrophobicContact CD1-CG2 3.69Å; F544-V586 HydrophobicContact CD2-CG2 3.94Å; F544-V586 HydrophobicContact CE1-CG2 3.83Å; F544-V586 HydrophobicContact CE2-CG2 4.04Å; F544-V586 HydrophobicContact CG-CG2 3.73Å; F544-V586 HydrophobicContact CZ-CG2 3.98Å |
| 545 | D | 84.9 | Confident | 92.7 | Very high | 133 Ų | 133 | 43.1 Ų | 43.1 | 71% | 0.711 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -60.9 | -35 | -170.7 | -53.7 | -29.8 | 0 | 0 | 0 | 113.5 | ||
| 546 | Q | 85.1 | Confident | 92.6 | Very high | 68 Ų | 68 | 50.5 Ų | 50.5 | 32% | 0.318 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -103.5 | 2.1 | -179.3 | -59.6 | -70.4 | -33.8 | 0 | 0 | 112.8 | A512 I542 N543 F544 E548 L550 | A512-Q546 HydrophobicContact CB-CB 3.81Å; I542-Q546 HydrophobicContact CD1-CB 4.12Å; N543-Q546 WeakPolarHBondContact OD1-CB 3.21Å; N543-Q546 PolarHBondContact OD1-N 3.46Å; F544-Q546 VanDerWaalsContact C-N 3.29Å; F544-Q546 PolarHBondContact O-N 3.13Å; Q546-E548 PolarHBondContact O-N 3.43Å; Q546-L550 PolarHBondContact O-N 2.87Å |
| 547 | S | 90.5 | Very high | 92.5 | Very high | 8 Ų | 8 | 50 Ų | 50 | 6% | 0.056 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.1 | -44.3 | -174.2 | 62.4 | 0 | 0 | 0 | 0 | 112.9 | N543 F544 L549 L550 F551 | N543-S547 VanDerWaalsContact O-CB 3.24Å; N543-S547 WeakPolarHBondContact O-CB 3.48Å; N543-S547 PolarHBondContact O-N 2.87Å; F544-S547 WeakPolarHBondContact O-CB 3.48Å; F544-S547 PolarHBondContact O-N 3.49Å; F544-S547 VanDerWaalsContact O-N 3.09Å; F544-S547 PolarHBondContact O-OG 2.96Å; S547-L549 PolarHBondContact O-N 3.5Å; S547-L550 PolarHBondContact O-N 3.11Å; S547-F551 WeakPolarHBondContact O-CB 3.35Å; S547-F551 WeakPolarHBondContact O-CD1 3.31Å; S547-F551 WeakPolarHBondContact O-CD2 3.48Å; S547-F551 WeakPolarHBondContact O-CG 3.39Å; S547-F551 PolarHBondContact O-N 3.27Å |
| 548 | E | 92.4 | Very high | 92.5 | Very high | 76 Ų | 76 | 46 Ų | 46 | 36% | 0.355 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -67.4 | -40.2 | -174.9 | -170.6 | 56.5 | -148.9 | 0 | 0 | 112.1 | Q546 F551 Q552 R579 | Q546-E548 PolarHBondContact O-N 3.43Å; E548-F551 PolarHBondContact O-N 3.47Å; E548-Q552 WeakPolarHBondContact O-CG 3.27Å; E548-Q552 PolarHBondContact O-N 3.44Å; E548-Q552 PolarHBondContact OE1-NE2 2.76Å; E548-R579 IonicContact OE1-CZ 3.05Å; E548-R579 IonicContact OE1-NH2 3.89Å; E548-R579 PolarHBondContact OE1-NH2 3.48Å; E548-R579 IonicContact OE2-CZ 3.59Å; E548-R579 VanDerWaalsContact OE2-CZ 3.29Å; E548-R579 IonicContact OE2-NE 3.86Å; E548-R579 PolarHBondContact OE2-NE 2.95Å; E548-R579 VanDerWaalsContact OE2-NE 3.16Å; E548-R579 IonicContact OE2-NH2 3.99Å; E548-R579 PolarHBondContact OE2-NH2 3.1Å |
| 549 | L | 93.1 | Very high | 92.3 | Very high | 86 Ų | 86 | 47.9 Ų | 47.9 | 45% | 0.45 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.1 | -48.3 | 173.7 | 177.2 | 62.4 | 0 | 0 | 0 | 110.8 | I516 S547 F551 Q552 V553 | I516-L549 HydrophobicContact CD1-CD2 4.07Å; I516-L549 HydrophobicContact CD1-CG 4.08Å; S547-L549 PolarHBondContact O-N 3.5Å; L549-F551 PolarHBondContact O-N 3.24Å; L549-Q552 PolarHBondContact O-N 2.87Å; L549-V553 WeakPolarHBondContact O-CG2 3.48Å; L549-V553 PolarHBondContact O-N 3.37Å; L549-V553 VanDerWaalsContact O-N 3.07Å |
| 550 | L | 94.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.6 | -44.1 | 178 | -178.4 | 68.8 | 0 | 0 | 0 | 111.6 | A512 W515 I516 I519 A538 I542 Q546 S547 Q552 V553 V554 | A512-L550 HydrophobicContact CB-CB 4.08Å; W515-L550 HydrophobicContact CB-CD1 3.73Å; I516-L550 HydrophobicContact CG1-CD1 4.21Å; I519-L550 HydrophobicContact CD1-CD1 3.88Å; A538-L550 HydrophobicContact CB-CD1 4.32Å; A538-L550 HydrophobicContact CB-CD2 3.89Å; A538-L550 WeakPolarHBondContact O-CD2 3.31Å; I542-L550 HydrophobicContact CB-CD2 3.56Å; I542-L550 HydrophobicContact CD1-CB 4.41Å; I542-L550 HydrophobicContact CD1-CD2 3.91Å; I542-L550 HydrophobicContact CG1-CB 4.18Å; I542-L550 HydrophobicContact CG1-CD2 3.65Å; I542-L550 HydrophobicContact CG2-CD2 3.95Å; Q546-L550 PolarHBondContact O-N 2.87Å; S547-L550 PolarHBondContact O-N 3.11Å; L550-Q552 VanDerWaalsContact C-N 3.33Å; L550-Q552 PolarHBondContact O-N 3.31Å; L550-V553 PolarHBondContact O-N 3.01Å; L550-V554 HydrophobicContact CD1-CG2 4.26Å; L550-V554 HydrophobicContact CG-CG2 4.22Å; L550-V554 WeakPolarHBondContact O-CG2 3.37Å; L550-V554 PolarHBondContact O-N 2.97Å |
| 551 | F | 96.5 | Very high | 92 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.2 | -42.2 | 180 | -62.7 | -23.7 | 0 | 0 | 0 | 112 | I539 I542 S547 E548 L549 V554 L555 I575 R578 R579 L582 | I539-F551 HydrophobicContact CB-CE1 4.5Å; I539-F551 HydrophobicContact CG1-CD1 4.35Å; I539-F551 HydrophobicContact CG1-CE1 4.35Å; I539-F551 HydrophobicContact CG2-CE1 4.09Å; I542-F551 HydrophobicContact CG2-CE1 4.05Å; I542-F551 HydrophobicContact CG2-CZ 4.29Å; S547-F551 WeakPolarHBondContact O-CB 3.35Å; S547-F551 WeakPolarHBondContact O-CD1 3.31Å; S547-F551 WeakPolarHBondContact O-CD2 3.48Å; S547-F551 WeakPolarHBondContact O-CG 3.39Å; S547-F551 PolarHBondContact O-N 3.27Å; E548-F551 PolarHBondContact O-N 3.47Å; L549-F551 PolarHBondContact O-N 3.24Å; F551-V554 PolarHBondContact O-N 3.44Å; F551-L555 WeakPolarHBondContact O-CB 3.29Å; F551-L555 WeakPolarHBondContact O-CG 3.34Å; F551-L555 PolarHBondContact O-N 3.33Å; F551-I575 HydrophobicContact CB-CD1 4.26Å; F551-I575 HydrophobicContact CB-CG2 3.88Å; F551-I575 HydrophobicContact CD1-CD1 4.49Å; F551-I575 HydrophobicContact CD1-CG1 3.98Å; F551-I575 HydrophobicContact CD1-CG2 4.05Å; F551-I575 HydrophobicContact CD2-CG2 3.81Å; F551-I575 HydrophobicContact CE2-CG2 4.35Å; F551-I575 HydrophobicContact CG-CG1 4.32Å; F551-I575 HydrophobicContact CG-CG2 3.64Å; F551-R578 HydrophobicContact CE1-CG 4.29Å; F551-R578 HydrophobicContact CZ-CB 4.11Å; F551-R578 HydrophobicContact CZ-CG 3.83Å; F551-R579 HydrophobicContact CE2-CB 4.02Å; F551-L582 HydrophobicContact CZ-CD1 4.25Å |
| 552 | Q | 94.6 | Very high | 91.8 | Very high | 99 Ų | 99 | 52.6 Ų | 52.6 | 46% | 0.463 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 174.8 | -71.1 | 177.5 | 20.5 | 0 | 0 | 112 | E548 L549 L550 R556 | E548-Q552 WeakPolarHBondContact O-CG 3.27Å; E548-Q552 PolarHBondContact O-N 3.44Å; E548-Q552 PolarHBondContact OE1-NE2 2.76Å; L549-Q552 PolarHBondContact O-N 2.87Å; L550-Q552 VanDerWaalsContact C-N 3.33Å; L550-Q552 PolarHBondContact O-N 3.31Å; Q552-R556 WeakPolarHBondContact O-CB 3.23Å; Q552-R556 PolarHBondContact O-N 3.03Å |
| 553 | V | 94.5 | Very high | 91.8 | Very high | 23 Ų | 23 | 53.1 Ų | 53.1 | 14% | 0.139 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.4 | -44.1 | 176.7 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | I516 L549 L550 R556 A557 | I516-V553 HydrophobicContact CD1-CG2 4.12Å; I516-V553 HydrophobicContact CG1-CB 4.3Å; I516-V553 HydrophobicContact CG1-CG1 4.12Å; I516-V553 HydrophobicContact CG1-CG2 4.11Å; I516-V553 HydrophobicContact CG2-CG1 4.25Å; L549-V553 WeakPolarHBondContact O-CG2 3.48Å; L549-V553 PolarHBondContact O-N 3.37Å; L549-V553 VanDerWaalsContact O-N 3.07Å; L550-V553 PolarHBondContact O-N 3.01Å; V553-R556 PolarHBondContact O-N 2.87Å; V553-A557 VanDerWaalsContact O-CB 3.22Å; V553-A557 WeakPolarHBondContact O-CB 3.02Å; V553-A557 PolarHBondContact O-N 3.11Å |
| 554 | V | 96.3 | Very high | 92 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.4 | -46.7 | 177.9 | 169.6 | 0 | 0 | 0 | 0 | 111.2 | I519 C535 I539 L550 F551 R556 A557 V558 I571 I575 | I519-V554 HydrophobicContact CD1-CG2 3.68Å; C535-V554 HydrophobicContact CB-CG1 3.8Å; C535-V554 HydrophobicContact CB-CG2 4.41Å; I539-V554 HydrophobicContact CD1-CG1 4.05Å; L550-V554 HydrophobicContact CD1-CG2 4.26Å; L550-V554 HydrophobicContact CG-CG2 4.22Å; L550-V554 WeakPolarHBondContact O-CG2 3.37Å; L550-V554 PolarHBondContact O-N 2.97Å; F551-V554 PolarHBondContact O-N 3.44Å; V554-R556 PolarHBondContact O-N 2.82Å; V554-A557 PolarHBondContact O-N 3.48Å; V554-A557 VanDerWaalsContact O-N 3.15Å; V554-V558 HydrophobicContact CG1-CG2 4.31Å; V554-V558 WeakPolarHBondContact O-CG2 3.49Å; V554-V558 PolarHBondContact O-N 3.48Å; V554-I571 HydrophobicContact CG1-CG2 3.74Å; V554-I575 HydrophobicContact CB-CD1 4.5Å; V554-I575 HydrophobicContact CG1-CD1 4.21Å |
| 555 | L | 95 | Very high | 92.2 | Very high | 49 Ų | 49 | 55 Ų | 55 | 26% | 0.257 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 178.6 | -73.5 | 175.5 | 0 | 0 | 0 | 111.8 | F551 A557 G559 I572 I575 | F551-L555 WeakPolarHBondContact O-CB 3.29Å; F551-L555 WeakPolarHBondContact O-CG 3.34Å; F551-L555 PolarHBondContact O-N 3.33Å; L555-A557 VanDerWaalsContact C-N 3.3Å; L555-A557 PolarHBondContact O-N 2.98Å; L555-G559 PolarHBondContact O-N 2.91Å; L555-I572 HydrophobicContact CD2-CD1 4.44Å; L555-I572 HydrophobicContact CD2-CG1 3.6Å; L555-I575 HydrophobicContact CD1-CD1 4.29Å; L555-I575 HydrophobicContact CD2-CD1 3.72Å; L555-I575 HydrophobicContact CG-CD1 3.66Å |
| 556 | R | 94.3 | Very high | 92.7 | Very high | 156 Ų | 156 | 57 Ų | 57 | 59% | 0.589 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -57.7 | -46.9 | 173 | -175.9 | -177.3 | -56.8 | 175.8 | 3.4 | 110.5 | Q552 V553 V554 V558 G559 E560 | Q552-R556 WeakPolarHBondContact O-CB 3.23Å; Q552-R556 PolarHBondContact O-N 3.03Å; V553-R556 PolarHBondContact O-N 2.87Å; V554-R556 PolarHBondContact O-N 2.82Å; R556-V558 PolarHBondContact O-N 3.37Å; R556-G559 PolarHBondContact O-N 3.5Å; R556-E560 WeakPolarHBondContact CD-OE1 3.3Å; R556-E560 HydrophobicContact CG-CG 4.2Å; R556-E560 WeakPolarHBondContact CG-OE1 2.97Å; R556-E560 WeakPolarHBondContact O-CB 3.42Å; R556-E560 WeakPolarHBondContact O-CG 3.25Å; R556-E560 PolarHBondContact O-N 3.5Å |
| 557 | A | 93.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.008 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.5 | -44.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114 | I519 Q523 V553 V554 L555 G559 T561 | I519-A557 HydrophobicContact CG2-CB 3.67Å; Q523-A557 HydrophobicContact CG-CB 3.87Å; V553-A557 VanDerWaalsContact O-CB 3.22Å; V553-A557 WeakPolarHBondContact O-CB 3.02Å; V553-A557 PolarHBondContact O-N 3.11Å; V554-A557 PolarHBondContact O-N 3.48Å; V554-A557 VanDerWaalsContact O-N 3.15Å; L555-A557 VanDerWaalsContact C-N 3.3Å; L555-A557 PolarHBondContact O-N 2.98Å; A557-G559 VanDerWaalsContact C-N 3.34Å; A557-T561 WeakPolarHBondContact O-CG2 3.33Å; A557-T561 PolarHBondContact O-N 3.27Å; A557-T561 PolarHBondContact O-OG1 3.23Å |
| 558 | V | 93.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -71.5 | -32.9 | 177.3 | -179.7 | 0 | 0 | 0 | 0 | 110.6 | L532 V554 R556 T561 V563 Y568 I571 | L532-V558 HydrophobicContact CD2-CG1 4.15Å; L532-V558 HydrophobicContact CD2-CG2 4.19Å; V554-V558 HydrophobicContact CG1-CG2 4.31Å; V554-V558 WeakPolarHBondContact O-CG2 3.49Å; V554-V558 PolarHBondContact O-N 3.48Å; R556-V558 PolarHBondContact O-N 3.37Å; V558-T561 WeakPolarHBondContact CA-OG1 3.13Å; V558-T561 PolarHBondContact O-OG1 3Å; V558-V563 HydrophobicContact CB-CG2 4.46Å; V558-V563 HydrophobicContact CG1-CB 3.69Å; V558-V563 HydrophobicContact CG1-CG1 4.04Å; V558-V563 HydrophobicContact CG1-CG2 3.65Å; V558-V563 WeakPolarHBondContact O-CG2 3.49Å; V558-Y568 HydrophobicContact CB-CD2 4.35Å; V558-Y568 HydrophobicContact CG1-CD2 3.72Å; V558-Y568 HydrophobicContact CG1-CE2 4.44Å; V558-I571 HydrophobicContact CG2-CG1 4.44Å; V558-I571 HydrophobicContact CG2-CG2 4.44Å |
| 559 | G | 91.8 | Very high | 93.3 | Very high | 40 Ų | 40 | 65.2 Ų | 65.2 | 41% | 0.412 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.2 | -49 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L555 R556 A557 T561 G562 | L555-G559 PolarHBondContact O-N 2.91Å; R556-G559 PolarHBondContact O-N 3.5Å; A557-G559 VanDerWaalsContact C-N 3.34Å; G559-T561 VanDerWaalsContact C-N 3.27Å; G559-T561 PolarHBondContact O-N 3.38Å; G559-G562 PolarHBondContact O-N 3.32Å |
| 560 | E | 92.1 | Very high | 93.5 | Very high | 139 Ų | 139 | 65.4 Ų | 65.4 | 65% | 0.65 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -66.5 | -27.5 | -179 | -72.7 | 173 | 174.2 | 0 | 0 | 113.1 | R556 G562 | R556-E560 WeakPolarHBondContact CD-OE1 3.3Å; R556-E560 HydrophobicContact CG-CG 4.2Å; R556-E560 WeakPolarHBondContact CG-OE1 2.97Å; R556-E560 WeakPolarHBondContact O-CB 3.42Å; R556-E560 WeakPolarHBondContact O-CG 3.25Å; R556-E560 PolarHBondContact O-N 3.5Å; E560-G562 VanDerWaalsContact C-N 3.32Å |
| 561 | T | 90.3 | Very high | 93.5 | Very high | 46 Ų | 46 | 65.7 Ų | 65.7 | 28% | 0.282 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -3.7 | 178.4 | 49 | 0 | 0 | 0 | 0 | 114.1 | Q523 L531 A557 V558 G559 V563 | Q523-T561 HydrophobicContact CB-CG2 4.47Å; Q523-T561 HydrophobicContact CG-CG2 4.29Å; L531-T561 HydrophobicContact CD2-CG2 3.6Å; L531-T561 WeakPolarHBondContact CD2-OG1 3.15Å; A557-T561 WeakPolarHBondContact O-CG2 3.33Å; A557-T561 PolarHBondContact O-N 3.27Å; A557-T561 PolarHBondContact O-OG1 3.23Å; V558-T561 WeakPolarHBondContact CA-OG1 3.13Å; V558-T561 PolarHBondContact O-OG1 3Å; G559-T561 VanDerWaalsContact C-N 3.27Å; G559-T561 PolarHBondContact O-N 3.38Å; T561-V563 WeakPolarHBondContact OG1-CG2 3.27Å |
| 562 | G | 87.7 | Confident | 93.4 | Very high | 58 Ų | 58 | 67.9 Ų | 67.9 | 60% | 0.598 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.3 | 35.8 | 175 | 0 | 0 | 0 | 0 | 0 | 113.9 | G559 E560 | G559-G562 PolarHBondContact O-N 3.32Å; E560-G562 VanDerWaalsContact C-N 3.32Å |
| 563 | V | 91.6 | Very high | 93.5 | Very high | 13 Ų | 13 | 67.4 Ų | 67.4 | 8% | 0.079 | 35% | 0.351 | C | S | . | . | trans | -62.7 | 142.5 | -178.8 | 177.7 | 0 | 0 | 0 | 0 | 111.4 | M528 L532 V558 T561 V565 Q567 | M528-V563 HydrophobicContact CE-CG2 4.13Å; M528-V563 HydrophobicContact CG-CG2 4.03Å; M528-V563 HydrophobicContact SD-CB 4.42Å; M528-V563 HydrophobicContact SD-CG1 4.37Å; M528-V563 HydrophobicContact SD-CG2 4.09Å; L532-V563 HydrophobicContact CD1-CG1 4.02Å; L532-V563 HydrophobicContact CD2-CG1 4.07Å; L532-V563 HydrophobicContact CD2-CG2 4.4Å; V558-V563 HydrophobicContact CB-CG2 4.46Å; V558-V563 HydrophobicContact CG1-CB 3.69Å; V558-V563 HydrophobicContact CG1-CG1 4.04Å; V558-V563 HydrophobicContact CG1-CG2 3.65Å; V558-V563 WeakPolarHBondContact O-CG2 3.49Å; T561-V563 WeakPolarHBondContact OG1-CG2 3.27Å; V563-V565 PolarHBondContact O-N 3.47Å; V563-Q567 HydrophobicContact CG1-CB 3.46Å; V563-Q567 VanDerWaalsContact CG1-CB 3.46Å; V563-Q567 HydrophobicContact CG1-CG 4.47Å | ||
| 564 | P | 92.7 | Very high | 93.6 | Very high | 68 Ų | 68 | 70.7 Ų | 70.7 | 44% | 0.442 | 36% | 0.363 | S | S | . | . | trans | -49.6 | 137.8 | 174.8 | -29.1 | 34.5 | 0 | 0 | 0 | 113.4 | K566 Q567 Y568 | P564-K566 PolarHBondContact O-N 3.23Å; P564-Q567 PolarHBondContact O-N 3.15Å; P564-Y568 PolarHBondContact O-N 2.71Å | ||
| 565 | V | 91.7 | Very high | 93.5 | Very high | 93 Ų | 93 | 70.7 Ų | 70.7 | 56% | 0.564 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -51.5 | -34.7 | -174.5 | 178.6 | 0 | 0 | 0 | 0 | 113.2 | V563 Y568 R569 | V563-V565 PolarHBondContact O-N 3.47Å; V565-Y568 PolarHBondContact O-N 2.76Å; V565-R569 HydrophobicContact CG1-CG 4.41Å; V565-R569 WeakPolarHBondContact O-CB 3.27Å; V565-R569 VanDerWaalsContact O-CG 3.29Å; V565-R569 WeakPolarHBondContact O-CG 3.43Å; V565-R569 PolarHBondContact O-N 3.31Å |
| 566 | K | 94 | Very high | 93.5 | Very high | 174 Ų | 174 | 73.5 Ų | 73.5 | 76% | 0.757 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -60.2 | -54.6 | 175.5 | -68.3 | -173.6 | 178.3 | -177.6 | 0 | 111.4 | P564 Y568 R569 D570 | P564-K566 PolarHBondContact O-N 3.23Å; K566-Y568 VanDerWaalsContact C-N 3.32Å; K566-Y568 PolarHBondContact O-N 3.16Å; K566-R569 WeakPolarHBondContact O-CB 3.44Å; K566-R569 PolarHBondContact O-N 3.12Å; K566-D570 PolarHBondContact O-N 2.92Å |
| 567 | Q | 93.3 | Very high | 93.6 | Very high | 77 Ų | 77 | 69 Ų | 69 | 36% | 0.36 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.1 | -35.6 | 179 | -70.6 | 172 | -6 | 0 | 0 | 112 | L532 V563 P564 D570 I571 | L532-Q567 HydrophobicContact CD1-CB 4.15Å; L532-Q567 HydrophobicContact CD1-CG 4.22Å; V563-Q567 HydrophobicContact CG1-CB 3.46Å; V563-Q567 VanDerWaalsContact CG1-CB 3.46Å; V563-Q567 HydrophobicContact CG1-CG 4.47Å; P564-Q567 PolarHBondContact O-N 3.15Å; Q567-D570 WeakPolarHBondContact O-CB 3.33Å; Q567-D570 PolarHBondContact O-N 3.3Å; Q567-I571 WeakPolarHBondContact O-CG1 3.24Å; Q567-I571 PolarHBondContact O-N 3.06Å |
| 568 | Y | 93.7 | Very high | 93.6 | Very high | 82 Ų | 82 | 71.8 Ų | 71.8 | 32% | 0.322 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.5 | -45.4 | 172.9 | -174.2 | -95.2 | 0 | 0 | 0 | 111.8 | V558 P564 V565 K566 D570 I571 I572 | V558-Y568 HydrophobicContact CB-CD2 4.35Å; V558-Y568 HydrophobicContact CG1-CD2 3.72Å; V558-Y568 HydrophobicContact CG1-CE2 4.44Å; P564-Y568 PolarHBondContact O-N 2.71Å; V565-Y568 PolarHBondContact O-N 2.76Å; K566-Y568 VanDerWaalsContact C-N 3.32Å; K566-Y568 PolarHBondContact O-N 3.16Å; Y568-D570 VanDerWaalsContact C-N 3.35Å; Y568-I571 PolarHBondContact O-N 3.04Å; Y568-I572 HydrophobicContact CD1-CD1 3.67Å; Y568-I572 HydrophobicContact CE1-CD1 3.26Å; Y568-I572 HydrophobicContact CE1-CG1 4.25Å; Y568-I572 PolarHBondContact O-N 3.25Å; Y568-I572 VanDerWaalsContact O-N 3.1Å |
| 569 | R | 95.1 | Very high | 93.6 | Very high | 166 Ų | 166 | 75.5 Ų | 75.5 | 63% | 0.626 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -65.6 | -35.5 | 174.7 | -72.8 | 177.3 | -177 | -178.3 | 1.7 | 112.7 | V565 K566 I571 I572 T573 | V565-R569 HydrophobicContact CG1-CG 4.41Å; V565-R569 WeakPolarHBondContact O-CB 3.27Å; V565-R569 VanDerWaalsContact O-CG 3.29Å; V565-R569 WeakPolarHBondContact O-CG 3.43Å; V565-R569 PolarHBondContact O-N 3.31Å; K566-R569 WeakPolarHBondContact O-CB 3.44Å; K566-R569 PolarHBondContact O-N 3.12Å; R569-I571 VanDerWaalsContact C-N 3.33Å; R569-I572 PolarHBondContact O-N 3.2Å; R569-T573 WeakPolarHBondContact O-CB 3.4Å; R569-T573 PolarHBondContact O-N 3.2Å; R569-T573 PolarHBondContact O-OG1 3.03Å |
| 570 | D | 95.5 | Very high | 93.7 | Very high | 90 Ų | 90 | 76.5 Ų | 76.5 | 48% | 0.481 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 176.2 | -62.8 | -24.1 | 0 | 0 | 0 | 111 | K566 Q567 Y568 T573 K574 | K566-D570 PolarHBondContact O-N 2.92Å; Q567-D570 WeakPolarHBondContact O-CB 3.33Å; Q567-D570 PolarHBondContact O-N 3.3Å; Y568-D570 VanDerWaalsContact C-N 3.35Å; D570-T573 PolarHBondContact O-N 3.41Å; D570-K574 WeakPolarHBondContact O-CG 3.1Å; D570-K574 PolarHBondContact O-N 2.79Å |
| 571 | I | 94.9 | Very high | 93.7 | Very high | 6 Ų | 6 | 72.9 Ų | 72.9 | 3% | 0.031 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65 | -45.4 | 175.5 | -68.6 | -67.7 | 0 | 0 | 0 | 111.4 | L532 C535 I539 V554 V558 Q567 Y568 R569 T573 K574 I575 | L532-I571 HydrophobicContact CD2-CD1 4.23Å; L532-I571 HydrophobicContact CD2-CG1 3.95Å; C535-I571 HydrophobicContact CB-CD1 4.3Å; I539-I571 HydrophobicContact CD1-CD1 4.48Å; I539-I571 HydrophobicContact CD1-CG2 4.19Å; V554-I571 HydrophobicContact CG1-CG2 3.74Å; V558-I571 HydrophobicContact CG2-CG1 4.44Å; V558-I571 HydrophobicContact CG2-CG2 4.44Å; Q567-I571 WeakPolarHBondContact O-CG1 3.24Å; Q567-I571 PolarHBondContact O-N 3.06Å; Y568-I571 PolarHBondContact O-N 3.04Å; R569-I571 VanDerWaalsContact C-N 3.33Å; I571-T573 VanDerWaalsContact C-N 3.29Å; I571-T573 PolarHBondContact O-N 2.89Å; I571-K574 WeakPolarHBondContact O-CB 3.44Å; I571-K574 PolarHBondContact O-N 2.68Å; I571-I575 HydrophobicContact CG2-CD1 4Å; I571-I575 WeakPolarHBondContact O-CG1 3.48Å; I571-I575 PolarHBondContact O-N 2.65Å |
| 572 | I | 95.4 | Very high | 93.7 | Very high | 45 Ų | 45 | 71.2 Ų | 71.2 | 23% | 0.231 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -57.3 | -45.5 | 175 | -72.6 | 170.7 | 0 | 0 | 0 | 110.8 | L555 Y568 R569 K574 I575 H576 | L555-I572 HydrophobicContact CD2-CD1 4.44Å; L555-I572 HydrophobicContact CD2-CG1 3.6Å; Y568-I572 HydrophobicContact CD1-CD1 3.67Å; Y568-I572 HydrophobicContact CE1-CD1 3.26Å; Y568-I572 HydrophobicContact CE1-CG1 4.25Å; Y568-I572 PolarHBondContact O-N 3.25Å; Y568-I572 VanDerWaalsContact O-N 3.1Å; R569-I572 PolarHBondContact O-N 3.2Å; I572-K574 VanDerWaalsContact C-N 3.33Å; I572-K574 PolarHBondContact O-N 3.09Å; I572-I575 PolarHBondContact O-N 2.79Å; I572-H576 WeakPolarHBondContact CG2-CE1 3.25Å; I572-H576 PolarHBondContact O-N 3.18Å |
| 573 | T | 96.7 | Very high | 93.7 | Very high | 89 Ų | 89 | 73 Ų | 73 | 55% | 0.546 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59.9 | -43.8 | 178.4 | -55.4 | 0 | 0 | 0 | 0 | 111.1 | R569 D570 I571 H576 A577 | R569-T573 WeakPolarHBondContact O-CB 3.4Å; R569-T573 PolarHBondContact O-N 3.2Å; R569-T573 PolarHBondContact O-OG1 3.03Å; D570-T573 PolarHBondContact O-N 3.41Å; I571-T573 VanDerWaalsContact C-N 3.29Å; I571-T573 PolarHBondContact O-N 2.89Å; T573-H576 PolarHBondContact O-N 3.47Å; T573-A577 WeakPolarHBondContact O-CB 3.41Å; T573-A577 PolarHBondContact O-N 2.97Å |
| 574 | K | 96.1 | Very high | 93.6 | Very high | 92 Ų | 92 | 76.9 Ų | 76.9 | 40% | 0.4 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 174.8 | -74.2 | 178.3 | -179.4 | -178 | 0 | 112.6 | A536 I539 D570 I571 I572 A577 R578 | A536-K574 HydrophobicContact CB-CD 4.36Å; I539-K574 HydrophobicContact CD1-CB 4.41Å; I539-K574 HydrophobicContact CG2-CB 4.44Å; D570-K574 WeakPolarHBondContact O-CG 3.1Å; D570-K574 PolarHBondContact O-N 2.79Å; I571-K574 WeakPolarHBondContact O-CB 3.44Å; I571-K574 PolarHBondContact O-N 2.68Å; I572-K574 VanDerWaalsContact C-N 3.33Å; I572-K574 PolarHBondContact O-N 3.09Å; K574-A577 PolarHBondContact O-N 3.21Å; K574-R578 WeakPolarHBondContact O-CB 3.22Å; K574-R578 PolarHBondContact O-N 3.33Å |
| 575 | I | 94.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 76.3 Ų | 76.3 | 1% | 0.005 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.7 | -47.5 | 177 | -72.3 | 172.4 | 0 | 0 | 0 | 110.6 | I539 F551 V554 L555 I571 I572 A577 R578 R579 | I539-I575 HydrophobicContact CD1-CD1 4.18Å; I539-I575 HydrophobicContact CD1-CG1 3.57Å; I539-I575 HydrophobicContact CG1-CG1 3.95Å; F551-I575 HydrophobicContact CB-CD1 4.26Å; F551-I575 HydrophobicContact CB-CG2 3.88Å; F551-I575 HydrophobicContact CD1-CD1 4.49Å; F551-I575 HydrophobicContact CD1-CG1 3.98Å; F551-I575 HydrophobicContact CD1-CG2 4.05Å; F551-I575 HydrophobicContact CD2-CG2 3.81Å; F551-I575 HydrophobicContact CE2-CG2 4.35Å; F551-I575 HydrophobicContact CG-CG1 4.32Å; F551-I575 HydrophobicContact CG-CG2 3.64Å; V554-I575 HydrophobicContact CB-CD1 4.5Å; V554-I575 HydrophobicContact CG1-CD1 4.21Å; L555-I575 HydrophobicContact CD1-CD1 4.29Å; L555-I575 HydrophobicContact CD2-CD1 3.72Å; L555-I575 HydrophobicContact CG-CD1 3.66Å; I571-I575 HydrophobicContact CG2-CD1 4Å; I571-I575 WeakPolarHBondContact O-CG1 3.48Å; I571-I575 PolarHBondContact O-N 2.65Å; I572-I575 PolarHBondContact O-N 2.79Å; I575-A577 VanDerWaalsContact C-N 3.35Å; I575-A577 PolarHBondContact O-N 2.77Å; I575-R578 PolarHBondContact O-N 3.36Å; I575-R579 VanDerWaalsContact O-CB 3.27Å; I575-R579 WeakPolarHBondContact O-CB 3.39Å; I575-R579 PolarHBondContact O-N 3.13Å |
| 576 | H | 95.6 | Very high | 92.7 | Very high | 107 Ų | 107 | 73.7 Ų | 73.7 | 50% | 0.495 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.3 | -43.7 | 178.1 | -68.6 | 173.3 | 0 | 0 | 0 | 111.9 | I572 T573 R579 A580 | I572-H576 WeakPolarHBondContact CG2-CE1 3.25Å; I572-H576 PolarHBondContact O-N 3.18Å; T573-H576 PolarHBondContact O-N 3.47Å; H576-R579 PolarHBondContact O-N 3.37Å; H576-A580 WeakPolarHBondContact O-CB 3.34Å; H576-A580 PolarHBondContact O-N 3.2Å |
| 577 | A | 95.3 | Very high | 92.1 | Very high | 61 Ų | 61 | 71 Ų | 71 | 50% | 0.504 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.5 | -45.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | T573 K574 I575 A580 S581 | T573-A577 WeakPolarHBondContact O-CB 3.41Å; T573-A577 PolarHBondContact O-N 2.97Å; K574-A577 PolarHBondContact O-N 3.21Å; I575-A577 VanDerWaalsContact C-N 3.35Å; I575-A577 PolarHBondContact O-N 2.77Å; A577-A580 PolarHBondContact O-N 3.21Å; A577-S581 WeakPolarHBondContact O-CB 3.47Å; A577-S581 PolarHBondContact O-N 3.13Å |
| 578 | R | 94.3 | Very high | 91.4 | Very high | 61 Ų | 61 | 71.8 Ų | 71.8 | 23% | 0.23 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.9 | -43.4 | 177.3 | -174.8 | 67.8 | 174 | 154.7 | -1.6 | 112.1 | I539 N540 I542 F551 K574 I575 A580 S581 L582 | I539-R578 HydrophobicContact CG2-CB 3.72Å; I539-R578 HydrophobicContact CG2-CG 4.09Å; I539-R578 WeakPolarHBondContact O-CD 3.37Å; I539-R578 VanDerWaalsContact O-CG 3.26Å; I539-R578 WeakPolarHBondContact O-CG 3.42Å; I539-R578 PolarHBondContact O-NE 3.48Å; N540-R578 PolarHBondContact O-NH2 2.63Å; I542-R578 PolarHBondContact O-NH2 3.45Å; F551-R578 HydrophobicContact CE1-CG 4.29Å; F551-R578 HydrophobicContact CZ-CB 4.11Å; F551-R578 HydrophobicContact CZ-CG 3.83Å; K574-R578 WeakPolarHBondContact O-CB 3.22Å; K574-R578 PolarHBondContact O-N 3.33Å; I575-R578 PolarHBondContact O-N 3.36Å; R578-A580 VanDerWaalsContact C-N 3.32Å; R578-A580 PolarHBondContact O-N 2.92Å; R578-S581 PolarHBondContact O-N 3.07Å; R578-L582 HydrophobicContact CG-CD1 3.88Å; R578-L582 HydrophobicContact CG-CG 4.24Å; R578-L582 WeakPolarHBondContact O-CB 3.47Å; R578-L582 WeakPolarHBondContact O-CG 3.27Å; R578-L582 PolarHBondContact O-N 3.28Å |
| 579 | R | 93.7 | Very high | 90 | Very high | 78 Ų | 78 | 71.8 Ų | 71.8 | 29% | 0.294 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59.4 | -43.1 | 177.4 | -173.6 | -174.5 | -79.3 | 156.7 | -4.3 | 111.1 | E548 F551 I575 H576 M583 | E548-R579 IonicContact OE1-CZ 3.05Å; E548-R579 IonicContact OE1-NH2 3.89Å; E548-R579 PolarHBondContact OE1-NH2 3.48Å; E548-R579 IonicContact OE2-CZ 3.59Å; E548-R579 VanDerWaalsContact OE2-CZ 3.29Å; E548-R579 IonicContact OE2-NE 3.86Å; E548-R579 PolarHBondContact OE2-NE 2.95Å; E548-R579 VanDerWaalsContact OE2-NE 3.16Å; E548-R579 IonicContact OE2-NH2 3.99Å; E548-R579 PolarHBondContact OE2-NH2 3.1Å; F551-R579 HydrophobicContact CE2-CB 4.02Å; I575-R579 VanDerWaalsContact O-CB 3.27Å; I575-R579 WeakPolarHBondContact O-CB 3.39Å; I575-R579 PolarHBondContact O-N 3.13Å; H576-R579 PolarHBondContact O-N 3.37Å; R579-M583 WeakPolarHBondContact O-CB 3.38Å; R579-M583 VanDerWaalsContact O-CG 3.26Å; R579-M583 WeakPolarHBondContact O-CG 3.49Å; R579-M583 PolarHBondContact O-N 3.15Å |
| 580 | A | 92.7 | Very high | 88.3 | Confident | 61 Ų | 61 | 70.1 Ų | 70.1 | 50% | 0.504 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64 | -46.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | H576 A577 R578 L582 M583 E584 | H576-A580 WeakPolarHBondContact O-CB 3.34Å; H576-A580 PolarHBondContact O-N 3.2Å; A577-A580 PolarHBondContact O-N 3.21Å; R578-A580 VanDerWaalsContact C-N 3.32Å; R578-A580 PolarHBondContact O-N 2.92Å; A580-L582 PolarHBondContact O-N 3.01Å; A580-M583 PolarHBondContact O-N 3.43Å; A580-E584 PolarHBondContact O-N 3.32Å |
| 581 | S | 91.9 | Very high | 86.5 | Confident | 63 Ų | 63 | 68.8 Ų | 68.8 | 44% | 0.441 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59.6 | -42.6 | 177.1 | 168.5 | 0 | 0 | 0 | 0 | 112.7 | A577 R578 S585 | A577-S581 WeakPolarHBondContact O-CB 3.47Å; A577-S581 PolarHBondContact O-N 3.13Å; R578-S581 PolarHBondContact O-N 3.07Å; S581-S585 PolarHBondContact O-N 2.83Å; S581-S585 VanDerWaalsContact O-N 3.15Å |
| 582 | L | 90.5 | Very high | 84.6 | Confident | 11 Ų | 11 | 73.7 Ų | 73.7 | 6% | 0.058 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -69.2 | -41.5 | 177.4 | -69.5 | 168.6 | 0 | 0 | 0 | 111.7 | F544 F551 R578 A580 E584 S585 V586 | F544-L582 HydrophobicContact CB-CD2 4.4Å; F544-L582 HydrophobicContact CD2-CB 3.85Å; F551-L582 HydrophobicContact CZ-CD1 4.25Å; R578-L582 HydrophobicContact CG-CD1 3.88Å; R578-L582 HydrophobicContact CG-CG 4.24Å; R578-L582 WeakPolarHBondContact O-CB 3.47Å; R578-L582 WeakPolarHBondContact O-CG 3.27Å; R578-L582 PolarHBondContact O-N 3.28Å; A580-L582 PolarHBondContact O-N 3.01Å; L582-E584 VanDerWaalsContact C-N 3.3Å; L582-E584 PolarHBondContact O-N 3.28Å; L582-S585 WeakPolarHBondContact CA-OG 3.41Å; L582-S585 PolarHBondContact O-N 2.99Å; L582-S585 PolarHBondContact O-OG 3.4Å; L582-V586 WeakPolarHBondContact O-CG2 3.3Å; L582-V586 PolarHBondContact O-N 2.9Å; L582-V586 VanDerWaalsContact O-N 3.15Å |
| 583 | M | 89.3 | Confident | 82.3 | Confident | 94 Ų | 94 | 79 Ų | 79 | 46% | 0.463 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.6 | -37.7 | 175.8 | -78.7 | -75.3 | -177 | 0 | 0 | 112.5 | F544 R579 A580 V586 K587 | F544-M583 HydrophobicContact CE2-CE 4.01Å; F544-M583 HydrophobicContact CE2-CG 4.32Å; F544-M583 HydrophobicContact CE2-SD 3.9Å; F544-M583 HydrophobicContact CZ-CE 4.18Å; F544-M583 HydrophobicContact CZ-SD 4.12Å; R579-M583 WeakPolarHBondContact O-CB 3.38Å; R579-M583 VanDerWaalsContact O-CG 3.26Å; R579-M583 WeakPolarHBondContact O-CG 3.49Å; R579-M583 PolarHBondContact O-N 3.15Å; A580-M583 PolarHBondContact O-N 3.43Å; M583-V586 PolarHBondContact O-N 3.48Å; M583-K587 PolarHBondContact O-N 2.69Å |
| 584 | E | 88.9 | Confident | 79.4 | Confident | 95 Ų | 95 | 79 Ų | 79 | 44% | 0.444 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66.8 | -44.5 | 176.5 | -159.9 | 62.4 | -167.8 | 0 | 0 | 111.3 | A580 L582 V586 K587 D588 | A580-E584 PolarHBondContact O-N 3.32Å; L582-E584 VanDerWaalsContact C-N 3.3Å; L582-E584 PolarHBondContact O-N 3.28Å; E584-V586 PolarHBondContact O-N 3.25Å; E584-V586 VanDerWaalsContact O-N 3.13Å; E584-K587 PolarHBondContact O-N 3.49Å; E584-K587 IonicContact OE2-NZ 2.73Å; E584-K587 PolarHBondContact OE2-NZ 2.68Å; E584-D588 PolarHBondContact O-N 2.95Å |
| 585 | S | 83.4 | Confident | 76.6 | Confident | 57 Ų | 57 | 81.6 Ų | 81.6 | 40% | 0.399 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.2 | -27 | 175.9 | 68.3 | 0 | 0 | 0 | 0 | 113.8 | S581 L582 V589 | S581-S585 PolarHBondContact O-N 2.83Å; S581-S585 VanDerWaalsContact O-N 3.15Å; L582-S585 WeakPolarHBondContact CA-OG 3.41Å; L582-S585 PolarHBondContact O-N 2.99Å; L582-S585 PolarHBondContact O-OG 3.4Å; S585-V589 VanDerWaalsContact O-CG2 3.29Å; S585-V589 WeakPolarHBondContact O-CG2 3.27Å; S585-V589 PolarHBondContact O-N 3.01Å |
| 586 | V | 82.7 | Confident | 73.7 | Confident | 38 Ų | 38 | 85.5 Ų | 85.5 | 23% | 0.23 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -77.9 | -36.8 | 175.7 | 173.7 | 0 | 0 | 0 | 0 | 111.6 | F544 L582 M583 E584 V589 Q590 | F544-V586 HydrophobicContact CB-CG2 4.38Å; F544-V586 HydrophobicContact CD1-CG2 3.69Å; F544-V586 HydrophobicContact CD2-CG2 3.94Å; F544-V586 HydrophobicContact CE1-CG2 3.83Å; F544-V586 HydrophobicContact CE2-CG2 4.04Å; F544-V586 HydrophobicContact CG-CG2 3.73Å; F544-V586 HydrophobicContact CZ-CG2 3.98Å; L582-V586 WeakPolarHBondContact O-CG2 3.3Å; L582-V586 PolarHBondContact O-N 2.9Å; L582-V586 VanDerWaalsContact O-N 3.15Å; M583-V586 PolarHBondContact O-N 3.48Å; E584-V586 PolarHBondContact O-N 3.25Å; E584-V586 VanDerWaalsContact O-N 3.13Å; V586-V589 PolarHBondContact O-N 3.44Å; V586-Q590 PolarHBondContact O-N 2.98Å |
| 587 | K | 81.5 | Confident | 70.4 | Confident | 118 Ų | 118 | 89.6 Ų | 89.6 | 51% | 0.513 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66 | -41.8 | 175.9 | -70.9 | 177.4 | -168.4 | 161.9 | 0 | 111.8 | M583 E584 V589 Q590 S591 | M583-K587 PolarHBondContact O-N 2.69Å; E584-K587 PolarHBondContact O-N 3.49Å; E584-K587 IonicContact OE2-NZ 2.73Å; E584-K587 PolarHBondContact OE2-NZ 2.68Å; K587-V589 PolarHBondContact O-N 3.38Å; K587-Q590 PolarHBondContact O-N 3.34Å; K587-Q590 VanDerWaalsContact O-N 3.13Å; K587-S591 PolarHBondContact O-N 3.33Å; K587-S591 PolarHBondContact O-OG 3.06Å |
| 588 | D | 77 | Confident | 67.4 | Low | 93 Ų | 93 | 93.2 Ų | 93.2 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.5 | -32.6 | 177.1 | -68.5 | -23.3 | 0 | 0 | 0 | 111.9 | E584 S591 V592 | E584-D588 PolarHBondContact O-N 2.95Å; D588-S591 PolarHBondContact O-OG 2.96Å; D588-S591 VanDerWaalsContact O-OG 3.1Å; D588-V592 WeakPolarHBondContact O-CG2 3.38Å |
| 589 | V | 65.5 | Low | 64.3 | Low | 82 Ų | 82 | 96 Ų | 96 | 50% | 0.497 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -78.8 | -30.4 | 176 | 175.7 | 0 | 0 | 0 | 0 | 112.2 | S585 V586 K587 K593 | S585-V589 VanDerWaalsContact O-CG2 3.29Å; S585-V589 WeakPolarHBondContact O-CG2 3.27Å; S585-V589 PolarHBondContact O-N 3.01Å; V586-V589 PolarHBondContact O-N 3.44Å; K587-V589 PolarHBondContact O-N 3.38Å; V589-K593 WeakPolarHBondContact O-CG 3.09Å; V589-K593 PolarHBondContact O-N 2.87Å |
| 590 | Q | 58.7 | Low | 61.1 | Low | 130 Ų | 130 | 99.3 Ų | 99.3 | 61% | 0.607 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -77.7 | -35.8 | 177.5 | -81 | -179.7 | -13.5 | 0 | 0 | 113.1 | V586 K587 V592 K593 S594 | V586-Q590 PolarHBondContact O-N 2.98Å; K587-Q590 PolarHBondContact O-N 3.34Å; K587-Q590 VanDerWaalsContact O-N 3.13Å; Q590-V592 VanDerWaalsContact C-N 3.28Å; Q590-V592 PolarHBondContact O-N 3.26Å; Q590-K593 PolarHBondContact O-N 3.39Å; Q590-S594 PolarHBondContact O-N 3.3Å; Q590-S594 VanDerWaalsContact O-N 3.16Å; Q590-S594 PolarHBondContact O-OG 2.97Å |
| 591 | S | 57.3 | Low | 57.9 | Low | 62 Ų | 62 | 105.2 Ų | 105.2 | 43% | 0.434 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.6 | -31.4 | 174.7 | 56.4 | 0 | 0 | 0 | 0 | 112.5 | K587 D588 S594 | K587-S591 PolarHBondContact O-N 3.33Å; K587-S591 PolarHBondContact O-OG 3.06Å; D588-S591 PolarHBondContact O-OG 2.96Å; D588-S591 VanDerWaalsContact O-OG 3.1Å; S591-S594 WeakPolarHBondContact CA-OG 3.36Å; S591-S594 PolarHBondContact O-OG 2.9Å |
| 592 | V | 54.7 | Low | 54.6 | Low | 110 Ų | 110 | 107.7 Ų | 107.7 | 67% | 0.667 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -77.3 | -24.8 | 176.5 | 177.5 | 0 | 0 | 0 | 0 | 112.3 | D588 Q590 | D588-V592 WeakPolarHBondContact O-CG2 3.38Å; Q590-V592 VanDerWaalsContact C-N 3.28Å; Q590-V592 PolarHBondContact O-N 3.26Å |
| 593 | K | 47.5 | Very low | 51.5 | Low | 155 Ų | 155 | 115.1 Ų | 115.1 | 67% | 0.674 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -84.4 | -22.3 | 175.8 | -73.9 | -177.2 | 179.5 | -176.9 | 0 | 113.7 | V589 Q590 D595 A596 | V589-K593 WeakPolarHBondContact O-CG 3.09Å; V589-K593 PolarHBondContact O-N 2.87Å; Q590-K593 PolarHBondContact O-N 3.39Å; K593-D595 PolarHBondContact O-N 3.44Å; K593-A596 PolarHBondContact O-N 3.32Å |
| 594 | S | 36.2 | Very low | 48.1 | Very low | 89 Ų | 89 | 119.7 Ų | 119.7 | 62% | 0.622 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -10.9 | 175.2 | 41.4 | 0 | 0 | 0 | 0 | 114.3 | Q590 S591 | Q590-S594 PolarHBondContact O-N 3.3Å; Q590-S594 VanDerWaalsContact O-N 3.16Å; Q590-S594 PolarHBondContact O-OG 2.97Å; S591-S594 WeakPolarHBondContact CA-OG 3.36Å; S591-S594 PolarHBondContact O-OG 2.9Å |
| 595 | D | 38.1 | Very low | 45 | Very low | 147 Ų | 147 | 120.3 Ų | 120.3 | 79% | 0.786 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | 11 | 179.5 | -70.3 | -24.1 | 0 | 0 | 0 | 114 | K593 | K593-D595 PolarHBondContact O-N 3.44Š|
| 596 | A | 32.8 | Very low | 42.1 | Very low | 83 Ų | 83 | 126.9 Ų | 126.9 | 69% | 0.686 | 69% | 0.694 | S | S | * | * | trans | -136.4 | 73.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | K593 | K593-A596 PolarHBondContact O-N 3.32Š| ||
| 597 | E | 27.6 | Very low | 39.3 | Very low | 193 Ų | 193 | 131.1 Ų | 131.1 | 90% | 0.902 | 72% | 0.72 | S | S | * | * | trans | -137.8 | 119.4 | 158.5 | -114.9 | 179 | -168.5 | 0 | 0 | 111.3 | ||||
| 598 | V | 30.9 | Very low | 37 | Very low | 138 Ų | 138 | 131.1 Ų | 131.1 | 84% | 0.836 | 73% | 0.732 | S | S | * | * | trans | -77.9 | 145.1 | 167.4 | 170.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 599 | P | 30.5 | Very low | 34.3 | Very low | 119 Ų | 119 | 130.2 Ų | 130.2 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | trans | -91.5 | 130.2 | -149 | 32.8 | -30.8 | 0 | 0 | 0 | 114 | ||||
| 600 | V | 26.1 | Very low | 32.6 | Very low | 148 Ų | 148 | 132.2 Ų | 132.2 | 90% | 0.897 | 76% | 0.762 | S | S | * | * | trans | -112 | 126.5 | 159.3 | -178.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 601 | K | 25.3 | Very low | 30.8 | Very low | 185 Ų | 185 | 136.4 Ų | 136.4 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -62.2 | 136.4 | -172.4 | -73.1 | 172 | 175.9 | 171.9 | 0 | 113 | I603 | K601-I603 PolarHBondContact O-N 3.19Š| ||
| 602 | S | 22.6 | Very low | 29.1 | Very low | 114 Ų | 114 | 143.6 Ų | 143.6 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -13.4 | 114.3 | 154.2 | 54.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 603 | I | 24.2 | Very low | 27.5 | Very low | 167 Ų | 167 | 149.1 Ų | 149.1 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | trans | -118.4 | 128.1 | 147.5 | -64.5 | 176.5 | 0 | 0 | 0 | 107.9 | K601 | K601-I603 PolarHBondContact O-N 3.19Š| ||
| 604 | E | 19.7 | Very low | 26.2 | Very low | 190 Ų | 190 | 151.4 Ų | 151.4 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | trans | -95.3 | 118.5 | -168.9 | -164.6 | 172.6 | -153.9 | 0 | 0 | 109.2 | ||||
| 605 | S | 23.5 | Very low | 25.5 | Very low | 109 Ų | 109 | 155.3 Ų | 155.3 | 76% | 0.762 | 83% | 0.828 | S | S | * | * | trans | -160.1 | 92.9 | 162.2 | 61.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 606 | K | 21.6 | Very low | 24.9 | Very low | 195 Ų | 195 | 154.4 Ų | 154.4 | 85% | 0.848 | 83% | 0.83 | S | S | * | * | trans | 33.7 | 118.8 | 130.1 | -75.5 | -179 | 177.6 | 172.7 | 0 | 122.3 | ||||
| 607 | V | 23.8 | Very low | 24.3 | Very low | 127 Ų | 127 | 157.9 Ų | 157.9 | 77% | 0.77 | 84% | 0.837 | S | S | * | * | 81.5 | 153.5 | 123 | -176.1 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 608 | P | 32.8 | Very low | 24.1 | Very low | 117 Ų | 117 | 156.6 Ų | 156.6 | 76% | 0.76 | 83% | 0.831 | S | S | * | * | cis | -125.5 | 162.9 | -12.5 | 23.3 | -1.9 | 0 | 0 | 0 | 115.8 | ||||
| 609 | G | 21.6 | Very low | 23.7 | Very low | 75 Ų | 75 | 159.4 Ų | 159.4 | 77% | 0.773 | 83% | 0.834 | S | S | * | * | trans | -73.8 | 146.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 610 | S | 28.9 | Very low | 23.2 | Very low | 123 Ų | 123 | 160.3 Ų | 160.3 | 86% | 0.86 | 83% | 0.833 | S | S | * | * | trans | -91.8 | 106.7 | 163.4 | 41.9 | 0 | 0 | 0 | 0 | 109.6 | K612 | S610-K612 PolarHBondContact O-N 2.77Š| ||
| 611 | R | 22.3 | Very low | 23 | Very low | 219 Ų | 219 | 160.1 Ų | 160.1 | 83% | 0.826 | 83% | 0.827 | S | S | * | * | trans | -59.5 | 122.2 | 179.7 | -76.2 | 169.9 | 168.3 | 157.4 | -4.9 | 111.8 | R613 | R611-R613 PolarHBondContact O-N 2.77Š| ||
| 612 | K | 19.8 | Very low | 22.9 | Very low | 213 Ų | 213 | 157 Ų | 157 | 93% | 0.926 | 83% | 0.828 | S | S | * | * | trans | -57 | 120 | 149.2 | -77.2 | 175.3 | 175.2 | 173.5 | 0 | 108.5 | S610 | S610-K612 PolarHBondContact O-N 2.77Š| ||
| 613 | R | 21.3 | Very low | 22.8 | Very low | 225 Ų | 225 | 155.8 Ų | 155.8 | 85% | 0.849 | 83% | 0.825 | S | S | * | * | trans | -122.1 | 123.7 | 164 | -96.9 | -177.7 | 151 | 165.8 | -7.2 | 109.7 | R611 | R611-R613 PolarHBondContact O-N 2.77Š| ||
| 614 | K | 21.7 | Very low | 22.6 | Very low | 203 Ų | 203 | 153.8 Ų | 153.8 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 150.3 | -177.9 | -71.7 | 175.3 | 171 | -178.7 | 0 | 111.5 | ||
| 615 | L | 19.6 | Very low | 22.7 | Very low | 171 Ų | 171 | 150.6 Ų | 150.6 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 137.8 | 165.4 | -69.1 | 101.8 | 0 | 0 | 0 | 110.7 | ||
| 616 | P | 26 | Very low | 22.7 | Very low | 128 Ų | 128 | 154.3 Ų | 154.3 | 83% | 0.831 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 151.6 | 167.2 | 16.2 | 1.6 | 0 | 0 | 0 | 112.6 | ||
| 617 | D | 21.7 | Very low | 22.7 | Very low | 156 Ų | 156 | 150.4 Ų | 150.4 | 83% | 0.834 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -81 | 164.1 | -172.2 | -138.3 | -18.5 | 0 | 0 | 0 | 113.5 | ||
| 618 | H | 21.9 | Very low | 22.6 | Very low | 167 Ų | 167 | 148.9 Ų | 148.9 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 141.1 | 179.1 | -85.8 | -85.6 | 0 | 0 | 0 | 116.1 | ||
| 619 | Q | 23.1 | Very low | 22.2 | Very low | 196 Ų | 196 | 153.6 Ų | 153.6 | 92% | 0.916 | 82% | 0.823 | S | S | * | * | trans | -162.3 | 152.9 | 135.1 | -108.4 | 171.5 | 39.4 | 0 | 0 | 113 | ||||
| 620 | N | 19.6 | Very low | 22.4 | Very low | 138 Ų | 138 | 156.3 Ų | 156.3 | 74% | 0.738 | 82% | 0.824 | S | S | * | * | trans | -75.3 | 167.4 | -161.4 | -73.5 | -26.9 | 0 | 0 | 0 | 116.7 | ||||
| 621 | D | 22.2 | Very low | 22.3 | Very low | 144 Ų | 144 | 155.8 Ų | 155.8 | 77% | 0.77 | 82% | 0.821 | S | S | * | * | trans | 99.7 | 122.1 | 139.2 | -69.9 | -30.3 | 0 | 0 | 0 | 121.8 | ||||
| 622 | S | 22.6 | Very low | 22.4 | Very low | 120 Ų | 120 | 154.7 Ų | 154.7 | 84% | 0.839 | 82% | 0.822 | S | S | * | * | trans | 88.1 | 123.8 | 143.9 | 74.2 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 623 | A | 20.4 | Very low | 22.7 | Very low | 88 Ų | 88 | 150.4 Ų | 150.4 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | trans | -62.3 | 156.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 624 | T | 21.2 | Very low | 23 | Very low | 125 Ų | 125 | 146.7 Ų | 146.7 | 77% | 0.767 | 81% | 0.813 | S | S | * | * | 167.6 | 113.8 | 110.6 | -55 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 625 | V | 21.2 | Very low | 23.5 | Very low | 123 Ų | 123 | 143.3 Ų | 143.3 | 75% | 0.745 | 81% | 0.811 | S | S | * | * | trans | 30 | 125.1 | 138.5 | -157.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 626 | K | 23.4 | Very low | 24.2 | Very low | 188 Ų | 188 | 140.4 Ų | 140.4 | 82% | 0.817 | 80% | 0.801 | S | S | * | * | 169.6 | 108.1 | 113.9 | -90 | 177.6 | -174 | 175.8 | 0 | 114.4 | |||||
| 627 | S | 22.1 | Very low | 25.2 | Very low | 112 Ų | 112 | 138.7 Ų | 138.7 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | trans | 50.4 | 121.1 | 131.2 | 54 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 628 | A | 21.6 | Very low | 26.4 | Very low | 96 Ų | 96 | 136.8 Ų | 136.8 | 79% | 0.793 | 78% | 0.778 | S | S | * | * | trans | -57.2 | 148.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 629 | K | 24.5 | Very low | 27.7 | Very low | 215 Ų | 215 | 131.1 Ų | 131.1 | 94% | 0.935 | 77% | 0.765 | S | S | * | * | trans | -119.7 | 116 | 157.3 | -125.9 | 175.7 | -175.6 | 177.1 | 0 | 108 | ||||
| 630 | V | 25.1 | Very low | 29.1 | Very low | 132 Ų | 132 | 126.6 Ų | 126.6 | 80% | 0.8 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 122.6 | -173.4 | 173.5 | 0 | 0 | 0 | 0 | 110 | ||
| 631 | S | 27.6 | Very low | 30.4 | Very low | 112 Ų | 112 | 129.2 Ų | 129.2 | 78% | 0.783 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 128.3 | 166.3 | 46.4 | 0 | 0 | 0 | 0 | 110 | ||
| 632 | K | 23.3 | Very low | 32.1 | Very low | 196 Ų | 196 | 125.7 Ų | 125.7 | 85% | 0.852 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 133.2 | 180 | -68.1 | 175.1 | 175.5 | 179.5 | 0 | 111 | ||
| 633 | P | 26.4 | Very low | 33.7 | Very low | 123 Ų | 123 | 124.9 Ų | 124.9 | 80% | 0.799 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 136.6 | 173.6 | 31 | -29 | 0 | 0 | 0 | 112.1 | ||
| 634 | N | 28.1 | Very low | 35.6 | Very low | 148 Ų | 148 | 125 Ų | 125 | 79% | 0.791 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 144.6 | 172.4 | -74.8 | -25.8 | 0 | 0 | 0 | 111.7 | T636 | N634-T636 PolarHBondContact O-N 3.34Å; N634-T636 VanDerWaalsContact O-N 3.12Å |
| 635 | P | 30.9 | Very low | 37.7 | Very low | 131 Ų | 131 | 122.8 Ų | 122.8 | 85% | 0.851 | 70% | 0.7 | S | S | * | * | trans | -74.2 | 107.3 | -169.8 | 29.5 | -32.6 | 0 | 0 | 0 | 110.8 | ||||
| 636 | T | 35.9 | Very low | 39.9 | Very low | 110 Ų | 110 | 121.1 Ų | 121.1 | 68% | 0.675 | 69% | 0.692 | S | S | * | * | trans | -77.7 | 123 | 171.1 | 3.3 | 0 | 0 | 0 | 0 | 107.9 | N634 H638 | N634-T636 PolarHBondContact O-N 3.34Å; N634-T636 VanDerWaalsContact O-N 3.12Å; T636-H638 PolarHBondContact O-N 2.87Å | ||
| 637 | S | 47.1 | Very low | 42.1 | Very low | 93 Ų | 93 | 116 Ų | 116 | 65% | 0.65 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -68.4 | 21.8 | -174.3 | 54.1 | 0 | 0 | 0 | 0 | 115.4 | G688 | S637-G688 WeakPolarHBondContact O-CA 3.11Š|
| 638 | H | 46.5 | Very low | 44.5 | Very low | 115 Ų | 115 | 114.6 Ų | 114.6 | 53% | 0.532 | 66% | 0.66 | S | S | . | * | S | Bend | trans | -115.3 | 134.3 | 177.3 | -63.1 | -57.6 | 0 | 0 | 0 | 109.4 | T636 T640 Y686 | T636-H638 PolarHBondContact O-N 2.87Å; H638-T640 PolarHBondContact O-N 3.17Å; H638-Y686 PolarHBondContact CE1-O 3.35Å; H638-Y686 VanDerWaalsContact CE1-O 3.28Å; H638-Y686 PolarHBondContact ND1-O 3.27Å |
| 639 | G | 49.6 | Very low | 47.1 | Very low | 48 Ų | 48 | 111.6 Ų | 111.6 | 50% | 0.495 | 63% | 0.63 | S | S | . | * | trans | -55.5 | 112.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | F641 | G639-F641 PolarHBondContact O-N 2.75Š| ||
| 640 | T | 51.4 | Low | 49.6 | Very low | 102 Ų | 102 | 106.7 Ų | 106.7 | 63% | 0.626 | 61% | 0.611 | S | S | * | * | trans | -66.1 | 119.9 | 174 | 35.8 | 0 | 0 | 0 | 0 | 109.3 | H638 V642 | H638-T640 PolarHBondContact O-N 3.17Å; T640-V642 PolarHBondContact O-N 2.89Å; T640-V642 VanDerWaalsContact O-N 3.14Å | ||
| 641 | F | 48.4 | Very low | 52.3 | Low | 193 Ų | 193 | 103.8 Ų | 103.8 | 85% | 0.846 | 59% | 0.588 | S | S | * | * | trans | -70.8 | 105.4 | 169.2 | -175.5 | -94.9 | 0 | 0 | 0 | 108 | G639 | G639-F641 PolarHBondContact O-N 2.75Š| ||
| 642 | V | 57.3 | Low | 55.1 | Low | 70 Ų | 70 | 99 Ų | 99 | 42% | 0.424 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -100.2 | 124.3 | 172.4 | 176.7 | 0 | 0 | 0 | 0 | 107.7 | T640 H644 R681 | T640-V642 PolarHBondContact O-N 2.89Å; T640-V642 VanDerWaalsContact O-N 3.14Å; V642-H644 PolarHBondContact O-N 3.01Å; V642-R681 VanDerWaalsContact CB-CZ 3.41Å; V642-R681 VanDerWaalsContact CB-NH1 3.32Å; V642-R681 VanDerWaalsContact CB-NH2 3.27Å; V642-R681 VanDerWaalsContact CG2-NH2 3.3Å |
| 643 | P | 55.9 | Low | 58.1 | Low | 102 Ų | 102 | 89.7 Ų | 89.7 | 66% | 0.662 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -53.7 | 129.9 | 175 | -23.1 | 32.1 | 0 | 0 | 0 | 110.6 | D645 | P643-D645 PolarHBondContact O-N 3.04Š|
| 644 | H | 60.9 | Low | 61.1 | Low | 91 Ų | 91 | 86 Ų | 86 | 42% | 0.421 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 122.2 | 178.5 | -177.7 | 72.7 | 0 | 0 | 0 | 110.2 | V642 P646 N649 P758 | V642-H644 PolarHBondContact O-N 3.01Å; H644-P646 WeakPolarHBondContact O-CD 3.39Å; H644-N649 PolarHBondContact CE1-OD1 3.18Å; H644-N649 PolarHBondContact NE2-OD1 3.03Å; H644-P758 WeakPolarHBondContact NE2-CG 3.35Å |
| 645 | D | 64.8 | Low | 63.9 | Low | 78 Ų | 78 | 78.9 Ų | 78.9 | 42% | 0.417 | 45% | 0.447 | S | S | . | . | trans | -90.9 | 108.8 | 176.6 | -165.3 | -19.9 | 0 | 0 | 0 | 109.9 | P643 S647 K648 | P643-D645 PolarHBondContact O-N 3.04Å; D645-S647 PolarHBondContact O-N 3.19Å; D645-S647 VanDerWaalsContact O-N 3.16Å; D645-S647 PolarHBondContact OD1-N 3Å; D645-S647 PolarHBondContact OD1-OG 2.79Å; D645-S647 PolarHBondContact OD2-OG 2.9Å; D645-K648 HydrophobicContact CB-CD 4.26Å; D645-K648 PolarHBondContact O-N 3.21Å | ||
| 646 | P | 66.9 | Low | 66.5 | Low | 88 Ų | 88 | 73.9 Ų | 73.9 | 57% | 0.571 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -64.8 | -20.1 | -176.2 | 27 | -34.6 | 0 | 0 | 0 | 113.2 | H644 K648 N649 | H644-P646 WeakPolarHBondContact O-CD 3.39Å; P646-K648 PolarHBondContact O-N 3.28Å; P646-N649 VanDerWaalsContact O-CG 3.22Å; P646-N649 PolarHBondContact O-N 3.27Å; P646-N649 PolarHBondContact O-ND2 3.19Å; P646-N649 VanDerWaalsContact O-ND2 3.08Å |
| 647 | S | 69.4 | Low | 68.8 | Low | 82 Ų | 82 | 69.5 Ų | 69.5 | 57% | 0.573 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -68 | -19 | 178 | 62.1 | 0 | 0 | 0 | 0 | 113.3 | D645 | D645-S647 PolarHBondContact O-N 3.19Å; D645-S647 VanDerWaalsContact O-N 3.16Å; D645-S647 PolarHBondContact OD1-N 3Å; D645-S647 PolarHBondContact OD1-OG 2.79Å; D645-S647 PolarHBondContact OD2-OG 2.9Å |
| 648 | K | 73 | Confident | 70.5 | Confident | 82 Ų | 82 | 65.1 Ų | 65.1 | 36% | 0.357 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -97.1 | 2.1 | -179.4 | -65.6 | 176.2 | 164.7 | -135.3 | 0 | 114.5 | D645 P646 E650 F651 T652 E697 | D645-K648 HydrophobicContact CB-CD 4.26Å; D645-K648 PolarHBondContact O-N 3.21Å; P646-K648 PolarHBondContact O-N 3.28Å; K648-E650 PolarHBondContact O-N 3.4Å; K648-F651 PolarHBondContact O-N 3.39Å; K648-F651 VanDerWaalsContact O-N 3.1Å; K648-T652 HydrophobicContact CB-CG2 4.48Å; K648-T652 WeakPolarHBondContact O-CG2 3.46Å; K648-T652 PolarHBondContact O-N 2.98Å; K648-T652 PolarHBondContact O-OG1 2.78Å; K648-E697 WeakPolarHBondContact CD-OE1 3.4Å; K648-E697 WeakPolarHBondContact CE-OE1 3.44Å; K648-E697 IonicContact NZ-OE1 3.9Å; K648-E697 PolarHBondContact NZ-OE1 2.87Å; K648-E697 IonicContact NZ-OE2 2.94Å; K648-E697 PolarHBondContact NZ-OE2 3.22Å |
| 649 | N | 75.1 | Confident | 72 | Confident | 32 Ų | 32 | 61.8 Ų | 61.8 | 17% | 0.171 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -57 | -37.5 | -178.6 | -70.1 | -18.6 | 0 | 0 | 0 | 113.3 | H644 P646 F651 T652 P758 | H644-N649 PolarHBondContact CE1-OD1 3.18Å; H644-N649 PolarHBondContact NE2-OD1 3.03Å; P646-N649 VanDerWaalsContact O-CG 3.22Å; P646-N649 PolarHBondContact O-N 3.27Å; P646-N649 PolarHBondContact O-ND2 3.19Å; P646-N649 VanDerWaalsContact O-ND2 3.08Å; N649-F651 PolarHBondContact O-N 3.04Å; N649-T652 VanDerWaalsContact CA-OG1 3.29Å; N649-T652 WeakPolarHBondContact CA-OG1 3.42Å; N649-T652 PolarHBondContact O-N 2.82Å; N649-T652 PolarHBondContact O-OG1 3.38Å; N649-P758 WeakPolarHBondContact ND2-CD 3.33Å; N649-P758 WeakPolarHBondContact ND2-CG 3.3Å; N649-P758 WeakPolarHBondContact OD1-CG 3.34Å |
| 650 | E | 77.1 | Confident | 73.7 | Confident | 112 Ų | 112 | 66.3 Ų | 66.3 | 52% | 0.523 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -68.4 | -16.9 | -178 | -60.1 | -163.7 | -175.2 | 0 | 0 | 113.8 | K648 K701 | K648-E650 PolarHBondContact O-N 3.4Å; E650-K701 IonicContact OE2-NZ 3.45Å; E650-K701 PolarHBondContact OE2-NZ 3.31Å |
| 651 | F | 83.3 | Confident | 75.1 | Confident | 72 Ų | 72 | 65.3 Ų | 65.3 | 32% | 0.316 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -109 | -3.6 | -178.7 | -56.6 | -80.5 | 0 | 0 | 0 | 112.5 | K648 N649 F698 K701 | K648-F651 PolarHBondContact O-N 3.39Å; K648-F651 VanDerWaalsContact O-N 3.1Å; N649-F651 PolarHBondContact O-N 3.04Å; F651-F698 WeakPolarHBondContact CB-O 3.49Å; F651-F698 PolarHBondContact O-N 2.94Å; F651-K701 HydrophobicContact CD1-CB 4.36Å; F651-K701 HydrophobicContact CE1-CB 4.14Å |
| 652 | T | 85 | Confident | 76.7 | Confident | 12 Ų | 12 | 56.2 Ų | 56.2 | 7% | 0.074 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 143.8 | -174.2 | 47.1 | 0 | 0 | 0 | 0 | 112.3 | K648 N649 V696 E697 C756 | K648-T652 HydrophobicContact CB-CG2 4.48Å; K648-T652 WeakPolarHBondContact O-CG2 3.46Å; K648-T652 PolarHBondContact O-N 2.98Å; K648-T652 PolarHBondContact O-OG1 2.78Å; N649-T652 VanDerWaalsContact CA-OG1 3.29Å; N649-T652 WeakPolarHBondContact CA-OG1 3.42Å; N649-T652 PolarHBondContact O-N 2.82Å; N649-T652 PolarHBondContact O-OG1 3.38Å; T652-V696 CarbonylContact C-O 3.56Å; T652-V696 VanDerWaalsContact CA-O 3.32Å; T652-V696 WeakPolarHBondContact CA-O 3.13Å; T652-E697 HydrophobicContact CG2-CB 3.68Å; T652-E697 HydrophobicContact CG2-CG 3.72Å; T652-C756 WeakPolarHBondContact O-CB 3.45Å; T652-C756 PolarHBondContact O-N 2.84Å; T652-C756 WeakPolarHBondContact OG1-CB 3.33Å; T652-C756 PolarHBondContact OG1-SG 3.42Å |
| 653 | V | 87.5 | Confident | 78 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 134.8 | -179.2 | -175.2 | 0 | 0 | 0 | 0 | 109.6 | V655 Y695 V696 F698 V704 A707 V753 S754 | V653-V655 HydrophobicContact CG1-CG2 4.44Å; V653-Y695 WeakPolarHBondContact O-CA 3.43Å; V653-V696 PolarHBondContact N-O 3.34Å; V653-V696 PolarHBondContact O-N 3.16Å; V653-F698 HydrophobicContact CB-CE2 4.43Å; V653-F698 HydrophobicContact CG2-CD2 4.08Å; V653-F698 HydrophobicContact CG2-CE2 3.8Å; V653-V704 HydrophobicContact CG2-CB 4.17Å; V653-V704 HydrophobicContact CG2-CG1 3.81Å; V653-V704 HydrophobicContact CG2-CG2 3.95Å; V653-A707 HydrophobicContact CG2-CB 4.19Å; V653-V753 HydrophobicContact CG1-CG1 3.14Å; V653-S754 WeakPolarHBondContact CG1-O 3.43Å |
| 654 | F | 88.9 | Confident | 79.4 | Confident | 44 Ų | 44 | 53.4 Ų | 53.4 | 19% | 0.193 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 118.5 | 173.6 | 177.1 | -106.4 | 0 | 0 | 0 | 110.4 | F693 Y695 S754 | F654-F693 HydrophobicContact CD2-CD2 4.42Å; F654-F693 HydrophobicContact CE2-CB 3.93Å; F654-F693 AromaticContact CE2-CD2 3.47Å; F654-F693 HydrophobicContact CE2-CD2 3.47Å; F654-F693 VanDerWaalsContact CE2-CD2 3.47Å; F654-F693 HydrophobicContact CE2-CE2 4.16Å; F654-F693 AromaticContact CE2-CG 3.93Å; F654-F693 HydrophobicContact CE2-CG 3.93Å; F654-F693 HydrophobicContact CZ-CB 3.95Å; F654-F693 HydrophobicContact CZ-CD2 4.13Å; F654-F693 HydrophobicContact CZ-CG 4.15Å; F654-Y695 HydrophobicContact CB-CE1 4.38Å; F654-Y695 HydrophobicContact CD2-CD1 4.14Å; F654-Y695 AromaticContact CD2-CE1 3.59Å; F654-Y695 HydrophobicContact CD2-CE1 3.59Å; F654-Y695 HydrophobicContact CD2-CE2 4.36Å; F654-Y695 AromaticContact CD2-CZ 3.71Å; F654-Y695 HydrophobicContact CE2-CE1 4.37Å; F654-Y695 HydrophobicContact CG-CE1 4.43Å; F654-S754 PolarHBondContact N-O 3.47Å; F654-S754 PolarHBondContact O-N 3.19Å; F654-S754 PolarHBondContact O-OG 3.39Å |
| 655 | V | 86.6 | Confident | 80.5 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 122.2 | -179 | -172.5 | 0 | 0 | 0 | 0 | 108.5 | V653 L658 F671 F693 A694 V696 M751 F752 | V653-V655 HydrophobicContact CG1-CG2 4.44Å; V655-L658 HydrophobicContact CB-CD1 4.45Å; V655-L658 HydrophobicContact CG1-CD1 4.04Å; V655-L658 HydrophobicContact CG1-CD2 3.72Å; V655-L658 HydrophobicContact CG1-CG 3.99Å; V655-F671 HydrophobicContact CG1-CE2 4.27Å; V655-F671 HydrophobicContact CG1-CZ 4.36Å; V655-F671 HydrophobicContact CG2-CE2 3.57Å; V655-F671 HydrophobicContact CG2-CZ 3.53Å; V655-F693 CarbonylContact O-C 3.46Å; V655-F693 WeakPolarHBondContact O-CA 3.31Å; V655-F693 VanDerWaalsContact O-CB 3.26Å; V655-F693 WeakPolarHBondContact O-CB 3.09Å; V655-A694 PolarHBondContact N-O 3.39Å; V655-A694 PolarHBondContact O-N 3.3Å; V655-V696 HydrophobicContact CG2-CG2 3.94Å; V655-M751 HydrophobicContact CG1-CB 4.2Å; V655-M751 HydrophobicContact CG1-CE 3.48Å; V655-M751 VanDerWaalsContact CG1-CE 3.48Å; V655-F752 CarbonylContact C-O 3.5Å; V655-F752 VanDerWaalsContact CA-O 3.31Å; V655-F752 WeakPolarHBondContact CA-O 3.29Å |
| 656 | S | 85.2 | Confident | 81.5 | Confident | 26 Ų | 26 | 54.6 Ų | 54.6 | 18% | 0.182 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 173.2 | -177.8 | 63.2 | 0 | 0 | 0 | 0 | 112.2 | L658 G692 F752 | S656-L658 PolarHBondContact O-N 3.41Å; S656-G692 CarbonylContact C-O 3.4Å; S656-F752 PolarHBondContact N-O 3.36Å; S656-F752 PolarHBondContact O-N 3.3Å; S656-F752 WeakPolarHBondContact OG-CB 3.33Å |
| 657 | N | 84.1 | Confident | 82.5 | Confident | 17 Ų | 17 | 50.4 Ų | 50.4 | 9% | 0.091 | 26% | 0.256 | C | S | . | . | S | Bend | trans | 62 | 25.2 | -175.5 | -162.3 | 49 | 0 | 0 | 0 | 114.3 | G692 R749 P750 F752 R811 | N657-G692 PolarHBondContact N-O 3.09Å; N657-R749 PolarHBondContact O-NE 2.85Å; N657-R749 PolarHBondContact OD1-NE 3.32Å; N657-R749 PolarHBondContact OD1-NH2 3.26Å; N657-P750 PolarHBondContact ND2-O 3.49Å; N657-F752 HydrophobicContact CB-CD2 3.58Å; N657-F752 HydrophobicContact CB-CE2 3.68Å; N657-F752 HydrophobicContact CB-CG 4.09Å; N657-F752 HydrophobicContact CB-CZ 4.28Å; N657-R811 PolarHBondContact ND2-O 2.96Å; N657-R811 PolarHBondContact OD1-O 3.48Å; N657-R811 VanDerWaalsContact OD1-O 3.05Å |
| 658 | L | 84.2 | Confident | 83.3 | Confident | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | trans | -66.9 | 149.6 | 172.7 | -62.4 | 168 | 0 | 0 | 0 | 110.3 | V655 S656 I667 L682 G692 A694 I715 R749 M751 | V655-L658 HydrophobicContact CB-CD1 4.45Å; V655-L658 HydrophobicContact CG1-CD1 4.04Å; V655-L658 HydrophobicContact CG1-CD2 3.72Å; V655-L658 HydrophobicContact CG1-CG 3.99Å; S656-L658 PolarHBondContact O-N 3.41Å; L658-I667 HydrophobicContact CD1-CD1 3.67Å; L658-I667 HydrophobicContact CD1-CG1 4.37Å; L658-L682 HydrophobicContact CD1-CD1 4.09Å; L658-G692 PolarHBondContact N-O 3.02Å; L658-A694 HydrophobicContact CD1-CB 3.71Å; L658-I715 HydrophobicContact CD2-CD1 3.87Å; L658-I715 HydrophobicContact CD2-CG1 4.32Å; L658-R749 PolarHBondContact O-NH1 2.86Å; L658-M751 HydrophobicContact CD2-CB 4.06Å; L658-M751 HydrophobicContact CD2-CE 4.34Å | ||
| 659 | D | 78.4 | Confident | 83.8 | Confident | 44 Ų | 44 | 49.3 Ų | 49.3 | 24% | 0.235 | 24% | 0.243 | C | C | . | . | trans | -63.2 | 144.9 | 168 | -154.8 | -50.6 | 0 | 0 | 0 | 110.2 | S661 V662 C746 | D659-S661 PolarHBondContact O-N 3.36Å; D659-S661 PolarHBondContact OD1-N 3.13Å; D659-S661 PolarHBondContact OD1-OG 3.25Å; D659-V662 HydrophobicContact CB-CG2 3.75Å; D659-V662 WeakPolarHBondContact O-CB 3.33Å; D659-V662 PolarHBondContact O-N 3.35Å; D659-C746 HydrophobicContact CB-CB 3.94Å | ||
| 660 | Y | 85.2 | Confident | 84.3 | Confident | 144 Ų | 144 | 47.9 Ų | 47.9 | 57% | 0.565 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -18.7 | -179.8 | -61.3 | -67 | 0 | 0 | 0 | 112.3 | S690 | Y660-S690 WeakPolarHBondContact CD1-O 3.46Å; Y660-S690 WeakPolarHBondContact O-CB 3.49Å |
| 661 | S | 79.3 | Confident | 84.9 | Confident | 81 Ų | 81 | 42.6 Ų | 42.6 | 57% | 0.566 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -10.3 | 175.2 | 59.6 | 0 | 0 | 0 | 0 | 114.6 | D659 | D659-S661 PolarHBondContact O-N 3.36Å; D659-S661 PolarHBondContact OD1-N 3.13Å; D659-S661 PolarHBondContact OD1-OG 3.25Å |
| 662 | V | 83.5 | Confident | 85 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | trans | -69.8 | 133.1 | -174.2 | 167.4 | 0 | 0 | 0 | 0 | 111.4 | D659 Q666 I667 L682 I715 C746 | D659-V662 HydrophobicContact CB-CG2 3.75Å; D659-V662 WeakPolarHBondContact O-CB 3.33Å; D659-V662 PolarHBondContact O-N 3.35Å; V662-Q666 HydrophobicContact CG1-CB 4.32Å; V662-I667 HydrophobicContact CG1-CD1 3.83Å; V662-I667 HydrophobicContact CG1-CG1 3.52Å; V662-L682 WeakPolarHBondContact O-CD2 3.49Å; V662-I715 HydrophobicContact CB-CD1 3.99Å; V662-I715 HydrophobicContact CG1-CD1 3.48Å; V662-I715 VanDerWaalsContact CG1-CD1 3.48Å; V662-I715 HydrophobicContact CG2-CD1 3.24Å; V662-C746 HydrophobicContact CG2-CB 4.06Å | ||
| 663 | S | 84.5 | Confident | 84.8 | Confident | 36 Ų | 36 | 50.8 Ų | 50.8 | 25% | 0.252 | 25% | 0.247 | S | C | . | . | trans | -89.1 | 160.3 | 174.6 | 72.4 | 0 | 0 | 0 | 0 | 112.2 | E665 Q666 I667 | S663-E665 VanDerWaalsContact C-N 3.25Å; S663-E665 PolarHBondContact O-N 2.78Å; S663-Q666 PolarHBondContact O-N 3.46Å; S663-Q666 WeakPolarHBondContact OG-CG 3.34Å; S663-Q666 PolarHBondContact OG-N 3.01Å; S663-I667 PolarHBondContact O-N 3.13Å | ||
| 664 | E | 85.3 | Confident | 84.6 | Confident | 78 Ų | 78 | 51.8 Ų | 51.8 | 36% | 0.364 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.5 | -35.2 | 175.5 | -73.6 | 178.4 | 168.1 | 0 | 0 | 111.9 | Q666 I667 Q668 V680 L682 | E664-Q666 PolarHBondContact O-N 3.44Å; E664-I667 PolarHBondContact O-N 3.32Å; E664-Q668 WeakPolarHBondContact O-CB 2.99Å; E664-Q668 PolarHBondContact O-N 2.77Å; E664-V680 HydrophobicContact CB-CG1 4.27Å; E664-V680 HydrophobicContact CG-CG1 4.39Å; E664-L682 HydrophobicContact CG-CB 3.42Å; E664-L682 VanDerWaalsContact CG-CB 3.42Å; E664-L682 HydrophobicContact CG-CD2 4.34Å; E664-L682 WeakPolarHBondContact OE1-CB 3.29Å; E664-L682 PolarHBondContact OE1-N 2.9Å |
| 665 | E | 83 | Confident | 84.2 | Confident | 150 Ų | 150 | 50.6 Ų | 50.6 | 70% | 0.701 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -62.4 | -39.7 | 177.3 | -62.5 | 168.3 | -176.2 | 0 | 0 | 112.4 | S663 Q668 H669 | S663-E665 VanDerWaalsContact C-N 3.25Å; S663-E665 PolarHBondContact O-N 2.78Å; E665-Q668 PolarHBondContact O-N 3.3Å; E665-H669 WeakPolarHBondContact O-CB 3.48Å; E665-H669 PolarHBondContact O-N 2.7Å |
| 666 | Q | 85.8 | Confident | 84 | Confident | 44 Ų | 44 | 55.8 Ų | 55.8 | 21% | 0.206 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.7 | -37.2 | 177.5 | -72.3 | 170.5 | -23.6 | 0 | 0 | 112.1 | V662 S663 E664 T670 I715 Y747 | V662-Q666 HydrophobicContact CG1-CB 4.32Å; S663-Q666 PolarHBondContact O-N 3.46Å; S663-Q666 WeakPolarHBondContact OG-CG 3.34Å; S663-Q666 PolarHBondContact OG-N 3.01Å; E664-Q666 PolarHBondContact O-N 3.44Å; Q666-T670 PolarHBondContact O-N 2.78Å; Q666-T670 VanDerWaalsContact O-N 3.15Å; Q666-T670 PolarHBondContact O-OG1 3.47Å; Q666-I715 HydrophobicContact CB-CG2 4.22Å; Q666-Y747 PolarHBondContact NE2-OH 3.3Å |
| 667 | I | 87.4 | Confident | 84.1 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67 | -46 | 174.5 | -61.4 | 167.3 | 0 | 0 | 0 | 109.1 | L658 V662 S663 E664 H669 T670 F671 V680 L682 A694 V696 | L658-I667 HydrophobicContact CD1-CD1 3.67Å; L658-I667 HydrophobicContact CD1-CG1 4.37Å; V662-I667 HydrophobicContact CG1-CD1 3.83Å; V662-I667 HydrophobicContact CG1-CG1 3.52Å; S663-I667 PolarHBondContact O-N 3.13Å; E664-I667 PolarHBondContact O-N 3.32Å; I667-H669 PolarHBondContact O-N 3.3Å; I667-T670 PolarHBondContact O-N 2.86Å; I667-F671 HydrophobicContact CG2-CD2 3.85Å; I667-F671 HydrophobicContact CG2-CE2 4.02Å; I667-F671 WeakPolarHBondContact O-CD2 3.47Å; I667-F671 PolarHBondContact O-N 3.07Å; I667-F671 VanDerWaalsContact O-N 3.16Å; I667-V680 HydrophobicContact CB-CG1 3.96Å; I667-V680 HydrophobicContact CG2-CG1 3.74Å; I667-L682 HydrophobicContact CD1-CD1 3.94Å; I667-A694 HydrophobicContact CD1-CB 3.81Å; I667-V696 HydrophobicContact CG2-CG2 3.76Å |
| 668 | Q | 85.9 | Confident | 84 | Confident | 90 Ų | 90 | 58.8 Ų | 58.8 | 42% | 0.421 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -56.9 | -49.6 | 177.3 | -172 | 171.7 | -0 | 0 | 0 | 111.4 | E664 E665 T670 F671 E672 V677 V680 | E664-Q668 WeakPolarHBondContact O-CB 2.99Å; E664-Q668 PolarHBondContact O-N 2.77Å; E665-Q668 PolarHBondContact O-N 3.3Å; Q668-T670 VanDerWaalsContact C-N 3.3Å; Q668-T670 PolarHBondContact O-N 3.27Å; Q668-F671 PolarHBondContact O-N 3.39Å; Q668-E672 WeakPolarHBondContact O-CB 3.41Å; Q668-E672 PolarHBondContact O-N 3.48Å; Q668-V677 HydrophobicContact CG-CB 4.49Å; Q668-V677 HydrophobicContact CG-CG1 4.46Å; Q668-V680 HydrophobicContact CB-CG2 3.83Å; Q668-V680 HydrophobicContact CG-CG2 4.2Å |
| 669 | H | 84.4 | Confident | 83.9 | Confident | 51 Ų | 51 | 61 Ų | 61 | 24% | 0.236 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.3 | -35.9 | 179 | -175.1 | 65.8 | 0 | 0 | 0 | 113.3 | E665 I667 F671 E672 | E665-H669 WeakPolarHBondContact O-CB 3.48Å; E665-H669 PolarHBondContact O-N 2.7Å; I667-H669 PolarHBondContact O-N 3.3Å; H669-F671 VanDerWaalsContact C-N 3.35Å; H669-E672 IonicContact ND1-OE2 3.81Å |
| 670 | T | 86 | Confident | 84.3 | Confident | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.012 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.6 | -38.6 | 177.7 | -61.1 | 0 | 0 | 0 | 0 | 111.6 | Q666 I667 Q668 L710 I715 T716 M751 | Q666-T670 PolarHBondContact O-N 2.78Å; Q666-T670 VanDerWaalsContact O-N 3.15Å; Q666-T670 PolarHBondContact O-OG1 3.47Å; I667-T670 PolarHBondContact O-N 2.86Å; Q668-T670 VanDerWaalsContact C-N 3.3Å; Q668-T670 PolarHBondContact O-N 3.27Å; T670-L710 HydrophobicContact CG2-CD1 4.33Å; T670-I715 VanDerWaalsContact OG1-CG2 3.27Å; T670-I715 WeakPolarHBondContact OG1-CG2 3.35Å; T670-T716 PolarHBondContact OG1-N 3.36Å; T670-M751 HydrophobicContact CG2-CE 4.32Å; T670-M751 HydrophobicContact CG2-SD 4.09Å |
| 671 | F | 89.1 | Confident | 84.3 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -92.1 | -14.9 | -177.3 | -77 | -68.8 | 0 | 0 | 0 | 114.8 | V655 I667 Q668 H669 K673 C674 G675 V677 V696 F698 A707 L710 M751 V753 | V655-F671 HydrophobicContact CG1-CE2 4.27Å; V655-F671 HydrophobicContact CG1-CZ 4.36Å; V655-F671 HydrophobicContact CG2-CE2 3.57Å; V655-F671 HydrophobicContact CG2-CZ 3.53Å; I667-F671 HydrophobicContact CG2-CD2 3.85Å; I667-F671 HydrophobicContact CG2-CE2 4.02Å; I667-F671 WeakPolarHBondContact O-CD2 3.47Å; I667-F671 PolarHBondContact O-N 3.07Å; I667-F671 VanDerWaalsContact O-N 3.16Å; Q668-F671 PolarHBondContact O-N 3.39Å; H669-F671 VanDerWaalsContact C-N 3.35Å; F671-K673 PolarHBondContact O-N 2.76Å; F671-C674 VanDerWaalsContact O-CB 3.32Å; F671-C674 WeakPolarHBondContact O-CB 3.14Å; F671-C674 PolarHBondContact O-N 3.44Å; F671-G675 PolarHBondContact O-N 2.85Å; F671-V677 HydrophobicContact CB-CG2 3.99Å; F671-V696 HydrophobicContact CB-CG1 4.12Å; F671-V696 HydrophobicContact CD2-CB 4.5Å; F671-V696 HydrophobicContact CD2-CG1 4.27Å; F671-V696 HydrophobicContact CD2-CG2 3.81Å; F671-V696 HydrophobicContact CE2-CG2 3.96Å; F671-V696 HydrophobicContact CG-CG1 4.18Å; F671-V696 HydrophobicContact CG-CG2 4.49Å; F671-F698 HydrophobicContact CB-CE1 4.12Å; F671-F698 HydrophobicContact CB-CZ 3.8Å; F671-F698 HydrophobicContact CD1-CE2 4.47Å; F671-F698 AromaticContact CD1-CZ 3.73Å; F671-F698 HydrophobicContact CD1-CZ 3.73Å; F671-F698 HydrophobicContact CG-CZ 4.02Å; F671-A707 HydrophobicContact CD1-CB 3.9Å; F671-A707 HydrophobicContact CE1-CB 3.82Å; F671-L710 HydrophobicContact CD1-CD1 4.03Å; F671-L710 HydrophobicContact CE1-CD1 4.01Å; F671-M751 HydrophobicContact CD2-CE 4.34Å; F671-M751 HydrophobicContact CE1-CE 4.48Å; F671-M751 HydrophobicContact CE2-CE 3.27Å; F671-M751 HydrophobicContact CZ-CE 3.37Å; F671-V753 HydrophobicContact CE1-CG1 4.23Å; F671-V753 HydrophobicContact CE1-CG2 4.37Å; F671-V753 HydrophobicContact CZ-CG1 4.23Å; F671-V753 HydrophobicContact CZ-CG2 3.92Å |
| 672 | E | 85 | Confident | 84.6 | Confident | 120 Ų | 120 | 53.6 Ų | 53.6 | 56% | 0.561 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -56.5 | -31.5 | 173.4 | -172.8 | 171.6 | -157.8 | 0 | 0 | 111.8 | Q668 H669 C674 G675 | Q668-E672 WeakPolarHBondContact O-CB 3.41Å; Q668-E672 PolarHBondContact O-N 3.48Å; H669-E672 IonicContact ND1-OE2 3.81Å; E672-C674 PolarHBondContact O-N 3.29Å; E672-G675 PolarHBondContact O-N 3.15Å |
| 673 | K | 81.3 | Confident | 84.7 | Confident | 137 Ų | 137 | 55.1 Ų | 55.1 | 60% | 0.596 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -22.7 | 174.1 | -58.5 | -177 | 179.3 | -171.1 | 0 | 113.9 | F671 | F671-K673 PolarHBondContact O-N 2.76Š|
| 674 | C | 82.8 | Confident | 84.6 | Confident | 20 Ų | 20 | 58 Ų | 58 | 14% | 0.135 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -20.5 | 179 | -61.1 | 0 | 0 | 0 | 0 | 112.5 | F671 E672 F698 S703 T706 A707 L710 | F671-C674 VanDerWaalsContact O-CB 3.32Å; F671-C674 WeakPolarHBondContact O-CB 3.14Å; F671-C674 PolarHBondContact O-N 3.44Å; E672-C674 PolarHBondContact O-N 3.29Å; C674-F698 HydrophobicContact CB-CE1 4.11Å; C674-F698 HydrophobicContact CB-CZ 4.26Å; C674-S703 WeakPolarHBondContact O-CB 3.04Å; C674-S703 PolarHBondContact O-OG 3.3Å; C674-T706 WeakPolarHBondContact CB-OG1 3.26Å; C674-T706 PolarHBondContact O-OG1 2.77Å; C674-A707 HydrophobicContact CB-CB 4.4Å; C674-L710 WeakPolarHBondContact SG-CD1 3.49Å |
| 675 | G | 81.9 | Confident | 84 | Confident | 20 Ų | 20 | 56.1 Ų | 56.1 | 21% | 0.206 | 28% | 0.281 | C | S | . | . | S | Bend | trans | 152.1 | -177.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F671 E672 V677 | F671-G675 PolarHBondContact O-N 2.85Å; E672-G675 PolarHBondContact O-N 3.15Å; G675-V677 PolarHBondContact O-N 3.03Å |
| 676 | N | 82.2 | Confident | 83.2 | Confident | 108 Ų | 108 | 57.1 Ų | 57.1 | 58% | 0.578 | 28% | 0.279 | S | S | * | . | trans | -64.1 | 114.7 | 178.9 | -74.5 | -5.2 | 0 | 0 | 0 | 111.4 | F698 E699 | N676-F698 WeakPolarHBondContact O-CA 3.26Å; N676-E699 HydrophobicContact CB-CB 4.14Å; N676-E699 WeakPolarHBondContact CB-OE2 3.45Å; N676-E699 PolarHBondContact ND2-OE2 3.42Å; N676-E699 PolarHBondContact O-N 3.34Å | ||
| 677 | V | 86.7 | Confident | 82.5 | Confident | 26 Ų | 26 | 57.6 Ų | 57.6 | 16% | 0.158 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 116.4 | 177.7 | -178.5 | 0 | 0 | 0 | 0 | 109.6 | Q668 F671 G675 V680 V696 E697 F698 | Q668-V677 HydrophobicContact CG-CB 4.49Å; Q668-V677 HydrophobicContact CG-CG1 4.46Å; F671-V677 HydrophobicContact CB-CG2 3.99Å; G675-V677 PolarHBondContact O-N 3.03Å; V677-V680 HydrophobicContact CG1-CG2 3.54Å; V677-V696 HydrophobicContact CG1-CG1 3.82Å; V677-V696 HydrophobicContact CG2-CG1 4.35Å; V677-E697 CarbonylContact C-O 3.56Å; V677-F698 HydrophobicContact CG2-CD1 4.12Å; V677-F698 HydrophobicContact CG2-CE1 3.75Å |
| 678 | T | 82.3 | Confident | 81.8 | Confident | 81 Ų | 81 | 58.4 Ų | 58.4 | 50% | 0.497 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | -38.4 | 178.8 | -51.4 | 0 | 0 | 0 | 0 | 112.2 | E697 E699 | T678-E697 HydrophobicContact CG2-CG 4.49Å; T678-E697 PolarHBondContact N-O 3.31Å; T678-E699 PolarHBondContact OG1-N 3.19Å |
| 679 | S | 82.3 | Confident | 81.4 | Confident | 48 Ų | 48 | 62.1 Ų | 62.1 | 34% | 0.336 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 137.9 | 179.4 | -171.5 | 0 | 0 | 0 | 0 | 111.6 | E697 | S679-E697 PolarHBondContact N-O 2.9Å; S679-E697 PolarHBondContact O-N 3.4Å |
| 680 | V | 86.9 | Confident | 81.3 | Confident | 20 Ų | 20 | 60 Ų | 60 | 12% | 0.121 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 129.4 | 167.5 | -179.6 | 0 | 0 | 0 | 0 | 108.6 | E664 I667 Q668 V677 V696 | E664-V680 HydrophobicContact CB-CG1 4.27Å; E664-V680 HydrophobicContact CG-CG1 4.39Å; I667-V680 HydrophobicContact CB-CG1 3.96Å; I667-V680 HydrophobicContact CG2-CG1 3.74Å; Q668-V680 HydrophobicContact CB-CG2 3.83Å; Q668-V680 HydrophobicContact CG-CG2 4.2Å; V677-V680 HydrophobicContact CG1-CG2 3.54Å; V680-V696 HydrophobicContact CG1-CG2 4.5Å; V680-V696 HydrophobicContact CG2-CG1 4.42Å; V680-V696 HydrophobicContact CG2-CG2 4.46Å |
| 681 | R | 84.9 | Confident | 81 | Confident | 84 Ų | 84 | 64.8 Ų | 64.8 | 32% | 0.317 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 106.4 | 177.8 | 176.7 | -175 | -63 | -74.1 | -9.7 | 110.1 | V642 A694 Y695 | V642-R681 VanDerWaalsContact CB-CZ 3.41Å; V642-R681 VanDerWaalsContact CB-NH1 3.32Å; V642-R681 VanDerWaalsContact CB-NH2 3.27Å; V642-R681 VanDerWaalsContact CG2-NH2 3.3Å; R681-A694 CarbonylContact O-C 3.49Å; R681-A694 WeakPolarHBondContact O-CA 3.17Å; R681-A694 WeakPolarHBondContact O-CB 3.42Å; R681-Y695 PolarHBondContact N-O 3.46Å; R681-Y695 PolarHBondContact O-N 2.88Å |
| 682 | L | 86.6 | Confident | 80.7 | Confident | 9 Ų | 9 | 65 Ų | 65 | 5% | 0.047 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 119.5 | 172.7 | -178.7 | 64.2 | 0 | 0 | 0 | 110 | L658 V662 E664 I667 R684 A694 | L658-L682 HydrophobicContact CD1-CD1 4.09Å; V662-L682 WeakPolarHBondContact O-CD2 3.49Å; E664-L682 HydrophobicContact CG-CB 3.42Å; E664-L682 VanDerWaalsContact CG-CB 3.42Å; E664-L682 HydrophobicContact CG-CD2 4.34Å; E664-L682 WeakPolarHBondContact OE1-CB 3.29Å; E664-L682 PolarHBondContact OE1-N 2.9Å; I667-L682 HydrophobicContact CD1-CD1 3.94Å; L682-R684 PolarHBondContact O-N 3.01Å; L682-A694 HydrophobicContact CB-CB 4.48Å; L682-A694 HydrophobicContact CD1-CB 3.98Å |
| 683 | V | 84.1 | Confident | 80.9 | Confident | 34 Ų | 34 | 61.9 Ų | 61.9 | 21% | 0.206 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 120.1 | -177.8 | -177.3 | 0 | 0 | 0 | 0 | 109.8 | K691 F693 Y695 | V683-K691 HydrophobicContact CG1-CD 4.07Å; V683-K691 HydrophobicContact CG1-CG 4.46Å; V683-K691 WeakPolarHBondContact O-CB 3.5Å; V683-K691 PolarHBondContact O-N 3.2Å; V683-F693 HydrophobicContact CB-CD2 3.94Å; V683-F693 HydrophobicContact CB-CE1 4.31Å; V683-F693 HydrophobicContact CB-CE2 3.5Å; V683-F693 VanDerWaalsContact CB-CE2 3.5Å; V683-F693 HydrophobicContact CB-CZ 3.7Å; V683-F693 HydrophobicContact CG1-CE1 4.32Å; V683-F693 HydrophobicContact CG1-CE2 3.86Å; V683-F693 HydrophobicContact CG1-CZ 3.61Å; V683-F693 HydrophobicContact CG2-CD2 3.79Å; V683-F693 HydrophobicContact CG2-CE2 3.34Å; V683-F693 HydrophobicContact CG2-CZ 4.02Å; V683-F693 PolarHBondContact N-O 2.9Å; V683-Y695 HydrophobicContact CG2-CD2 4.09Å; V683-Y695 HydrophobicContact CG2-CE2 3.91Å |
| 684 | R | 82.1 | Confident | 81.3 | Confident | 96 Ų | 96 | 55.3 Ų | 55.3 | 36% | 0.362 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 156.4 | 177.4 | -65.5 | 172.8 | -178.5 | -89.4 | 0.1 | 110.9 | L682 G688 R689 | L682-R684 PolarHBondContact O-N 3.01Å; R684-G688 WeakPolarHBondContact CD-O 3.37Å; R684-G688 PolarHBondContact NH1-O 3.04Å; R684-R689 CarbonylContact C-O 3.47Å; R684-R689 VanDerWaalsContact CA-O 3.25Å; R684-R689 WeakPolarHBondContact CA-O 3.47Å |
| 685 | D | 72.8 | Confident | 81.6 | Confident | 39 Ų | 39 | 58.1 Ų | 58.1 | 21% | 0.209 | 29% | 0.288 | C | S | . | . | trans | -79.9 | 173.8 | 172.5 | -164.5 | 25.1 | 0 | 0 | 0 | 111.9 | A687 G688 R689 K691 | D685-A687 PolarHBondContact O-N 3.3Å; D685-A687 VanDerWaalsContact O-N 3.17Å; D685-G688 PolarHBondContact O-N 3.04Å; D685-R689 PolarHBondContact N-O 2.96Å; D685-K691 HydrophobicContact CB-CG 4.34Å; D685-K691 IonicContact OD1-NZ 3.75Å | ||
| 686 | Y | 66 | Low | 81.9 | Confident | 170 Ų | 170 | 57.1 Ų | 57.1 | 67% | 0.667 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -28.4 | 175.3 | 63.6 | -91.1 | 0 | 0 | 0 | 112.2 | H638 G688 | H638-Y686 PolarHBondContact CE1-O 3.35Å; H638-Y686 VanDerWaalsContact CE1-O 3.28Å; H638-Y686 PolarHBondContact ND1-O 3.27Å; Y686-G688 VanDerWaalsContact C-N 3.27Å; Y686-G688 PolarHBondContact O-N 3.15Å |
| 687 | A | 72.2 | Confident | 82.2 | Confident | 55 Ų | 55 | 53.7 Ų | 53.7 | 46% | 0.455 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 7.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | D685 R689 | D685-A687 PolarHBondContact O-N 3.3Å; D685-A687 VanDerWaalsContact O-N 3.17Å; A687-R689 PolarHBondContact O-N 3.41Å |
| 688 | G | 73.2 | Confident | 82.3 | Confident | 16 Ų | 16 | 52.5 Ų | 52.5 | 17% | 0.165 | 25% | 0.251 | C | S | . | . | S | Bend | trans | 76.3 | -4.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | S637 R684 D685 Y686 | S637-G688 WeakPolarHBondContact O-CA 3.11Å; R684-G688 WeakPolarHBondContact CD-O 3.37Å; R684-G688 PolarHBondContact NH1-O 3.04Å; D685-G688 PolarHBondContact O-N 3.04Å; Y686-G688 VanDerWaalsContact C-N 3.27Å; Y686-G688 PolarHBondContact O-N 3.15Å |
| 689 | R | 76.6 | Confident | 82.4 | Confident | 169 Ų | 169 | 53.9 Ų | 53.9 | 64% | 0.638 | 25% | 0.252 | S | S | * | . | trans | -72.1 | 137 | 175.8 | -64.3 | -176.6 | -66.3 | -171.8 | -1.5 | 110.8 | R684 D685 A687 | R684-R689 CarbonylContact C-O 3.47Å; R684-R689 VanDerWaalsContact CA-O 3.25Å; R684-R689 WeakPolarHBondContact CA-O 3.47Å; D685-R689 PolarHBondContact N-O 2.96Å; A687-R689 PolarHBondContact O-N 3.41Å | ||
| 690 | S | 81.7 | Confident | 82.5 | Confident | 7 Ų | 7 | 56 Ų | 56 | 5% | 0.049 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 140.4 | 174.5 | 176.2 | 0 | 0 | 0 | 0 | 110.8 | Y660 G692 | Y660-S690 WeakPolarHBondContact CD1-O 3.46Å; Y660-S690 WeakPolarHBondContact O-CB 3.49Å; S690-G692 VanDerWaalsContact C-N 3.25Å; S690-G692 PolarHBondContact OG-N 3.29Å |
| 691 | K | 80.2 | Confident | 82.2 | Confident | 102 Ų | 102 | 60.1 Ų | 60.1 | 44% | 0.443 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 0.5 | 168.9 | -67.1 | -166.8 | 178.7 | 178.6 | 0 | 112.4 | V683 D685 F693 | V683-K691 HydrophobicContact CG1-CD 4.07Å; V683-K691 HydrophobicContact CG1-CG 4.46Å; V683-K691 WeakPolarHBondContact O-CB 3.5Å; V683-K691 PolarHBondContact O-N 3.2Å; D685-K691 HydrophobicContact CB-CG 4.34Å; D685-K691 IonicContact OD1-NZ 3.75Å; K691-F693 HydrophobicContact CB-CD1 3.79Å; K691-F693 HydrophobicContact CB-CE1 3.47Å; K691-F693 VanDerWaalsContact CB-CE1 3.47Å; K691-F693 HydrophobicContact CB-CZ 4.36Å; K691-F693 HydrophobicContact CD-CE1 4.09Å; K691-F693 HydrophobicContact CD-CZ 4.44Å; K691-F693 HydrophobicContact CG-CE1 4.39Å |
| 692 | G | 83.9 | Confident | 82 | Confident | 5 Ų | 5 | 63.3 Ų | 63.3 | 5% | 0.052 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 77.7 | 21.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114.2 | S656 N657 L658 S690 | S656-G692 CarbonylContact C-O 3.4Å; N657-G692 PolarHBondContact N-O 3.09Å; L658-G692 PolarHBondContact N-O 3.02Å; S690-G692 VanDerWaalsContact C-N 3.25Å; S690-G692 PolarHBondContact OG-N 3.29Å |
| 693 | F | 89.2 | Confident | 82 | Confident | 53 Ų | 53 | 63.4 Ų | 63.4 | 23% | 0.232 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 150.8 | 172 | 68.1 | -92.1 | 0 | 0 | 0 | 111.8 | F654 V655 V683 K691 Y695 | F654-F693 HydrophobicContact CD2-CD2 4.42Å; F654-F693 HydrophobicContact CE2-CB 3.93Å; F654-F693 AromaticContact CE2-CD2 3.47Å; F654-F693 HydrophobicContact CE2-CD2 3.47Å; F654-F693 VanDerWaalsContact CE2-CD2 3.47Å; F654-F693 HydrophobicContact CE2-CE2 4.16Å; F654-F693 AromaticContact CE2-CG 3.93Å; F654-F693 HydrophobicContact CE2-CG 3.93Å; F654-F693 HydrophobicContact CZ-CB 3.95Å; F654-F693 HydrophobicContact CZ-CD2 4.13Å; F654-F693 HydrophobicContact CZ-CG 4.15Å; V655-F693 CarbonylContact O-C 3.46Å; V655-F693 WeakPolarHBondContact O-CA 3.31Å; V655-F693 VanDerWaalsContact O-CB 3.26Å; V655-F693 WeakPolarHBondContact O-CB 3.09Å; V683-F693 HydrophobicContact CB-CD2 3.94Å; V683-F693 HydrophobicContact CB-CE1 4.31Å; V683-F693 HydrophobicContact CB-CE2 3.5Å; V683-F693 VanDerWaalsContact CB-CE2 3.5Å; V683-F693 HydrophobicContact CB-CZ 3.7Å; V683-F693 HydrophobicContact CG1-CE1 4.32Å; V683-F693 HydrophobicContact CG1-CE2 3.86Å; V683-F693 HydrophobicContact CG1-CZ 3.61Å; V683-F693 HydrophobicContact CG2-CD2 3.79Å; V683-F693 HydrophobicContact CG2-CE2 3.34Å; V683-F693 HydrophobicContact CG2-CZ 4.02Å; V683-F693 PolarHBondContact N-O 2.9Å; K691-F693 HydrophobicContact CB-CD1 3.79Å; K691-F693 HydrophobicContact CB-CE1 3.47Å; K691-F693 VanDerWaalsContact CB-CE1 3.47Å; K691-F693 HydrophobicContact CB-CZ 4.36Å; K691-F693 HydrophobicContact CD-CE1 4.09Å; K691-F693 HydrophobicContact CD-CZ 4.44Å; K691-F693 HydrophobicContact CG-CE1 4.39Å; F693-Y695 HydrophobicContact CD2-CE2 4.17Å; F693-Y695 AromaticContact CE2-CE2 3.99Å; F693-Y695 HydrophobicContact CE2-CE2 3.99Å |
| 694 | A | 88.3 | Confident | 82 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 160.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V655 L658 I667 R681 L682 | V655-A694 PolarHBondContact N-O 3.39Å; V655-A694 PolarHBondContact O-N 3.3Å; L658-A694 HydrophobicContact CD1-CB 3.71Å; I667-A694 HydrophobicContact CD1-CB 3.81Å; R681-A694 CarbonylContact O-C 3.49Å; R681-A694 WeakPolarHBondContact O-CA 3.17Å; R681-A694 WeakPolarHBondContact O-CB 3.42Å; L682-A694 HydrophobicContact CB-CB 4.48Å; L682-A694 HydrophobicContact CD1-CB 3.98Å |
| 695 | Y | 89.4 | Confident | 81.9 | Confident | 78 Ų | 78 | 64.6 Ų | 64.6 | 31% | 0.306 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 132.8 | 169.9 | -62.9 | -92 | 0 | 0 | 0 | 109 | V653 F654 R681 V683 F693 | V653-Y695 WeakPolarHBondContact O-CA 3.43Å; F654-Y695 HydrophobicContact CB-CE1 4.38Å; F654-Y695 HydrophobicContact CD2-CD1 4.14Å; F654-Y695 AromaticContact CD2-CE1 3.59Å; F654-Y695 HydrophobicContact CD2-CE1 3.59Å; F654-Y695 HydrophobicContact CD2-CE2 4.36Å; F654-Y695 AromaticContact CD2-CZ 3.71Å; F654-Y695 HydrophobicContact CE2-CE1 4.37Å; F654-Y695 HydrophobicContact CG-CE1 4.43Å; R681-Y695 PolarHBondContact N-O 3.46Å; R681-Y695 PolarHBondContact O-N 2.88Å; V683-Y695 HydrophobicContact CG2-CD2 4.09Å; V683-Y695 HydrophobicContact CG2-CE2 3.91Å; F693-Y695 HydrophobicContact CD2-CE2 4.17Å; F693-Y695 AromaticContact CE2-CE2 3.99Å; F693-Y695 HydrophobicContact CE2-CE2 3.99Å |
| 696 | V | 89 | Confident | 82.5 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 117.5 | 179.1 | -177.6 | 0 | 0 | 0 | 0 | 108.2 | T652 V653 V655 I667 F671 V677 V680 F698 | T652-V696 CarbonylContact C-O 3.56Å; T652-V696 VanDerWaalsContact CA-O 3.32Å; T652-V696 WeakPolarHBondContact CA-O 3.13Å; V653-V696 PolarHBondContact N-O 3.34Å; V653-V696 PolarHBondContact O-N 3.16Å; V655-V696 HydrophobicContact CG2-CG2 3.94Å; I667-V696 HydrophobicContact CG2-CG2 3.76Å; F671-V696 HydrophobicContact CB-CG1 4.12Å; F671-V696 HydrophobicContact CD2-CB 4.5Å; F671-V696 HydrophobicContact CD2-CG1 4.27Å; F671-V696 HydrophobicContact CD2-CG2 3.81Å; F671-V696 HydrophobicContact CE2-CG2 3.96Å; F671-V696 HydrophobicContact CG-CG1 4.18Å; F671-V696 HydrophobicContact CG-CG2 4.49Å; V677-V696 HydrophobicContact CG1-CG1 3.82Å; V677-V696 HydrophobicContact CG2-CG1 4.35Å; V680-V696 HydrophobicContact CG1-CG2 4.5Å; V680-V696 HydrophobicContact CG2-CG1 4.42Å; V680-V696 HydrophobicContact CG2-CG2 4.46Å; V696-F698 HydrophobicContact CB-CE2 4.4Å; V696-F698 HydrophobicContact CG1-CD2 4.36Å; V696-F698 HydrophobicContact CG1-CE1 4.4Å; V696-F698 HydrophobicContact CG1-CE2 3.77Å; V696-F698 HydrophobicContact CG1-CZ 3.81Å |
| 697 | E | 87.4 | Confident | 83.4 | Confident | 35 Ų | 35 | 57.5 Ų | 57.5 | 16% | 0.164 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 128 | 175.6 | -170.8 | 175.3 | 165.5 | 0 | 0 | 109.3 | K648 T652 V677 T678 S679 | K648-E697 WeakPolarHBondContact CD-OE1 3.4Å; K648-E697 WeakPolarHBondContact CE-OE1 3.44Å; K648-E697 IonicContact NZ-OE1 3.9Å; K648-E697 PolarHBondContact NZ-OE1 2.87Å; K648-E697 IonicContact NZ-OE2 2.94Å; K648-E697 PolarHBondContact NZ-OE2 3.22Å; T652-E697 HydrophobicContact CG2-CB 3.68Å; T652-E697 HydrophobicContact CG2-CG 3.72Å; V677-E697 CarbonylContact C-O 3.56Å; T678-E697 HydrophobicContact CG2-CG 4.49Å; T678-E697 PolarHBondContact N-O 3.31Å; S679-E697 PolarHBondContact N-O 2.9Å; S679-E697 PolarHBondContact O-N 3.4Å |
| 698 | F | 89.3 | Confident | 84 | Confident | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.009 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 157.2 | 174.3 | -67.9 | -83.4 | 0 | 0 | 0 | 111.2 | F651 V653 F671 C674 N676 V677 V696 N700 V704 A707 | F651-F698 WeakPolarHBondContact CB-O 3.49Å; F651-F698 PolarHBondContact O-N 2.94Å; V653-F698 HydrophobicContact CB-CE2 4.43Å; V653-F698 HydrophobicContact CG2-CD2 4.08Å; V653-F698 HydrophobicContact CG2-CE2 3.8Å; F671-F698 HydrophobicContact CB-CE1 4.12Å; F671-F698 HydrophobicContact CB-CZ 3.8Å; F671-F698 HydrophobicContact CD1-CE2 4.47Å; F671-F698 AromaticContact CD1-CZ 3.73Å; F671-F698 HydrophobicContact CD1-CZ 3.73Å; F671-F698 HydrophobicContact CG-CZ 4.02Å; C674-F698 HydrophobicContact CB-CE1 4.11Å; C674-F698 HydrophobicContact CB-CZ 4.26Å; N676-F698 WeakPolarHBondContact O-CA 3.26Å; V677-F698 HydrophobicContact CG2-CD1 4.12Å; V677-F698 HydrophobicContact CG2-CE1 3.75Å; V696-F698 HydrophobicContact CB-CE2 4.4Å; V696-F698 HydrophobicContact CG1-CD2 4.36Å; V696-F698 HydrophobicContact CG1-CE1 4.4Å; V696-F698 HydrophobicContact CG1-CE2 3.77Å; V696-F698 HydrophobicContact CG1-CZ 3.81Å; F698-N700 VanDerWaalsContact C-N 3.34Å; F698-V704 HydrophobicContact CD2-CG2 4.06Å; F698-A707 HydrophobicContact CE2-CB 3.65Å; F698-A707 HydrophobicContact CZ-CB 3.73Å |
| 699 | E | 83.8 | Confident | 84.3 | Confident | 110 Ų | 110 | 61.4 Ų | 61.4 | 51% | 0.514 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -69.5 | -34.4 | 173.9 | -170.4 | 173.8 | -170 | 0 | 0 | 111.9 | N676 T678 | N676-E699 HydrophobicContact CB-CB 4.14Å; N676-E699 WeakPolarHBondContact CB-OE2 3.45Å; N676-E699 PolarHBondContact ND2-OE2 3.42Å; N676-E699 PolarHBondContact O-N 3.34Å; T678-E699 PolarHBondContact OG1-N 3.19Å |
| 700 | N | 85 | Confident | 84.6 | Confident | 91 Ų | 91 | 54.6 Ų | 54.6 | 49% | 0.487 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -120.3 | 143 | -173.8 | -68.3 | -38.9 | 0 | 0 | 0 | 112.7 | F698 E702 S703 | F698-N700 VanDerWaalsContact C-N 3.34Å; N700-E702 PolarHBondContact O-N 3.26Å; N700-S703 WeakPolarHBondContact O-CB 3.4Å; N700-S703 PolarHBondContact O-N 3.15Å |
| 701 | K | 81 | Confident | 84.5 | Confident | 107 Ų | 107 | 57.1 Ų | 57.1 | 47% | 0.465 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65 | -25.1 | 175 | -174.3 | 172.4 | -175.9 | 166.6 | 0 | 113.2 | E650 F651 S703 V704 | E650-K701 IonicContact OE2-NZ 3.45Å; E650-K701 PolarHBondContact OE2-NZ 3.31Å; F651-K701 HydrophobicContact CD1-CB 4.36Å; F651-K701 HydrophobicContact CE1-CB 4.14Å; K701-S703 VanDerWaalsContact C-N 3.35Å; K701-V704 WeakPolarHBondContact O-CB 3.47Å; K701-V704 PolarHBondContact O-N 3.12Å |
| 702 | E | 81 | Confident | 84.4 | Confident | 152 Ų | 152 | 57.6 Ų | 57.6 | 71% | 0.71 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -68 | -36.1 | 175.5 | -62.5 | -170.5 | 163.8 | 0 | 0 | 111.8 | N700 V704 K705 T706 | N700-E702 PolarHBondContact O-N 3.26Å; E702-V704 PolarHBondContact O-N 3.43Å; E702-K705 WeakPolarHBondContact O-CB 3.21Å; E702-K705 PolarHBondContact O-N 3.39Å; E702-T706 PolarHBondContact O-N 3.22Å; E702-T706 VanDerWaalsContact O-N 3.16Å |
| 703 | S | 86.4 | Confident | 84.1 | Confident | 11 Ų | 11 | 61.9 Ų | 61.9 | 8% | 0.077 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.2 | -27.8 | 175.9 | -56.6 | 0 | 0 | 0 | 0 | 112.9 | C674 N700 K701 K705 T706 A707 | C674-S703 WeakPolarHBondContact O-CB 3.04Å; C674-S703 PolarHBondContact O-OG 3.3Å; N700-S703 WeakPolarHBondContact O-CB 3.4Å; N700-S703 PolarHBondContact O-N 3.15Å; K701-S703 VanDerWaalsContact C-N 3.35Å; S703-K705 VanDerWaalsContact C-N 3.34Å; S703-T706 VanDerWaalsContact CA-OG1 3.32Å; S703-T706 WeakPolarHBondContact CA-OG1 3.38Å; S703-T706 PolarHBondContact O-N 2.87Å; S703-T706 PolarHBondContact O-OG1 3.03Å; S703-A707 VanDerWaalsContact O-CB 3.23Å; S703-A707 WeakPolarHBondContact O-CB 3.26Å; S703-A707 PolarHBondContact O-N 3.24Å |
| 704 | V | 84.5 | Confident | 83.6 | Confident | 10 Ų | 10 | 60.6 Ų | 60.6 | 6% | 0.061 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.6 | -40.1 | 171.4 | 170.7 | 0 | 0 | 0 | 0 | 111 | V653 F698 K701 E702 A707 L708 | V653-V704 HydrophobicContact CG2-CB 4.17Å; V653-V704 HydrophobicContact CG2-CG1 3.81Å; V653-V704 HydrophobicContact CG2-CG2 3.95Å; F698-V704 HydrophobicContact CD2-CG2 4.06Å; K701-V704 WeakPolarHBondContact O-CB 3.47Å; K701-V704 PolarHBondContact O-N 3.12Å; E702-V704 PolarHBondContact O-N 3.43Å; V704-A707 PolarHBondContact O-N 3.35Å; V704-L708 VanDerWaalsContact O-CG 3.32Å; V704-L708 WeakPolarHBondContact O-CG 3.09Å; V704-L708 PolarHBondContact O-N 3.31Å; V704-L708 VanDerWaalsContact O-N 3.09Å |
| 705 | K | 79.9 | Confident | 83.2 | Confident | 144 Ų | 144 | 61 Ų | 61 | 63% | 0.626 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -67.2 | -40.7 | 177.7 | -64.8 | 179.9 | -178.9 | 175 | 0 | 111.6 | E702 S703 L708 | E702-K705 WeakPolarHBondContact O-CB 3.21Å; E702-K705 PolarHBondContact O-N 3.39Å; S703-K705 VanDerWaalsContact C-N 3.34Å; K705-L708 PolarHBondContact O-N 2.7Å |
| 706 | T | 84.1 | Confident | 82.4 | Confident | 61 Ų | 61 | 59 Ų | 59 | 37% | 0.374 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -70 | -33.5 | 175.4 | 58.6 | 0 | 0 | 0 | 0 | 111.7 | C674 E702 S703 L708 T709 | C674-T706 WeakPolarHBondContact CB-OG1 3.26Å; C674-T706 PolarHBondContact O-OG1 2.77Å; E702-T706 PolarHBondContact O-N 3.22Å; E702-T706 VanDerWaalsContact O-N 3.16Å; S703-T706 VanDerWaalsContact CA-OG1 3.32Å; S703-T706 WeakPolarHBondContact CA-OG1 3.38Å; S703-T706 PolarHBondContact O-N 2.87Å; S703-T706 PolarHBondContact O-OG1 3.03Å; T706-L708 VanDerWaalsContact C-N 3.35Å; T706-L708 PolarHBondContact O-N 3.41Å; T706-T709 PolarHBondContact O-N 3.38Å; T706-T709 PolarHBondContact O-OG1 3.31Å |
| 707 | A | 86.3 | Confident | 81.6 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.3 | -36 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V653 F671 C674 F698 S703 V704 T709 L710 V753 | V653-A707 HydrophobicContact CG2-CB 4.19Å; F671-A707 HydrophobicContact CD1-CB 3.9Å; F671-A707 HydrophobicContact CE1-CB 3.82Å; C674-A707 HydrophobicContact CB-CB 4.4Å; F698-A707 HydrophobicContact CE2-CB 3.65Å; F698-A707 HydrophobicContact CZ-CB 3.73Å; S703-A707 VanDerWaalsContact O-CB 3.23Å; S703-A707 WeakPolarHBondContact O-CB 3.26Å; S703-A707 PolarHBondContact O-N 3.24Å; V704-A707 PolarHBondContact O-N 3.35Å; A707-T709 PolarHBondContact O-N 3.17Å; A707-L710 WeakPolarHBondContact O-CB 3.35Å; A707-L710 PolarHBondContact O-N 3.01Å; A707-V753 WeakPolarHBondContact O-CG1 3.42Å |
| 708 | L | 83.3 | Confident | 80.2 | Confident | 53 Ų | 53 | 68 Ų | 68 | 28% | 0.277 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.6 | -23.7 | 177.2 | -70.9 | 168.1 | 0 | 0 | 0 | 113.3 | V704 K705 T706 L710 D711 V753 I755 | V704-L708 VanDerWaalsContact O-CG 3.32Å; V704-L708 WeakPolarHBondContact O-CG 3.09Å; V704-L708 PolarHBondContact O-N 3.31Å; V704-L708 VanDerWaalsContact O-N 3.09Å; K705-L708 PolarHBondContact O-N 2.7Å; T706-L708 VanDerWaalsContact C-N 3.35Å; T706-L708 PolarHBondContact O-N 3.41Å; L708-L710 PolarHBondContact O-N 3.5Å; L708-D711 WeakPolarHBondContact O-CB 3.32Å; L708-D711 PolarHBondContact O-N 2.8Å; L708-V753 HydrophobicContact CD2-CG1 4.48Å; L708-I755 HydrophobicContact CD1-CD1 4.08Å; L708-I755 HydrophobicContact CD1-CG1 3.7Å; L708-I755 HydrophobicContact CD2-CG1 4.01Å; L708-I755 HydrophobicContact CG-CG1 4.43Å |
| 709 | T | 80.2 | Confident | 78.3 | Confident | 100 Ų | 100 | 73.4 Ų | 73.4 | 61% | 0.613 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -14.3 | 175.1 | 70.3 | 0 | 0 | 0 | 0 | 112.6 | T706 A707 D711 Q713 | T706-T709 PolarHBondContact O-N 3.38Å; T706-T709 PolarHBondContact O-OG1 3.31Å; A707-T709 PolarHBondContact O-N 3.17Å; T709-D711 VanDerWaalsContact C-N 3.26Å; T709-D711 PolarHBondContact O-N 3.18Å; T709-Q713 PolarHBondContact O-NE2 3.05Å |
| 710 | L | 82.4 | Confident | 76.1 | Confident | 26 Ų | 26 | 73.7 Ų | 73.7 | 14% | 0.136 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 3.6 | 170.9 | -58.5 | -175.1 | 0 | 0 | 0 | 113.4 | T670 F671 C674 A707 L708 R712 Q713 V753 | T670-L710 HydrophobicContact CG2-CD1 4.33Å; F671-L710 HydrophobicContact CD1-CD1 4.03Å; F671-L710 HydrophobicContact CE1-CD1 4.01Å; C674-L710 WeakPolarHBondContact SG-CD1 3.49Å; A707-L710 WeakPolarHBondContact O-CB 3.35Å; A707-L710 PolarHBondContact O-N 3.01Å; L708-L710 PolarHBondContact O-N 3.5Å; L710-R712 PolarHBondContact O-N 2.93Å; L710-Q713 VanDerWaalsContact CD2-OE1 3.27Å; L710-Q713 WeakPolarHBondContact O-CB 3.11Å; L710-Q713 PolarHBondContact O-N 3.24Å; L710-Q713 VanDerWaalsContact O-N 3.13Å; L710-V753 HydrophobicContact CB-CG2 4.46Å |
| 711 | D | 80.7 | Confident | 73.6 | Confident | 59 Ų | 59 | 77.6 Ų | 77.6 | 32% | 0.316 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 131.7 | 173.1 | -173 | 42.7 | 0 | 0 | 0 | 110.7 | L708 T709 Q713 F752 V753 | L708-D711 WeakPolarHBondContact O-CB 3.32Å; L708-D711 PolarHBondContact O-N 2.8Å; T709-D711 VanDerWaalsContact C-N 3.26Å; T709-D711 PolarHBondContact O-N 3.18Å; D711-Q713 PolarHBondContact O-N 3.4Å; D711-F752 WeakPolarHBondContact OD1-CA 3.34Å; D711-V753 HydrophobicContact CB-CB 4.18Å; D711-V753 PolarHBondContact OD1-N 2.87Å |
| 712 | R | 77.5 | Confident | 71.1 | Confident | 113 Ų | 113 | 78.2 Ų | 78.2 | 43% | 0.426 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.2 | 12.9 | -178.1 | -53.6 | 174.1 | 179.1 | -78.7 | -13.8 | 115.4 | L710 P750 M751 F752 | L710-R712 PolarHBondContact O-N 2.93Å; R712-P750 HydrophobicContact CB-CB 4.46Å; R712-P750 VanDerWaalsContact O-CB 3.27Å; R712-P750 WeakPolarHBondContact O-CB 3.35Å; R712-M751 WeakPolarHBondContact CA-O 3.12Å; R712-M751 PolarHBondContact N-O 2.77Å; R712-F752 HydrophobicContact CG-CD1 3.77Å; R712-F752 HydrophobicContact CG-CE1 3.89Å |
| 713 | Q | 78.5 | Confident | 68.6 | Low | 94 Ų | 94 | 77.4 Ų | 77.4 | 44% | 0.439 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -86.9 | 157.6 | 171.4 | -58.4 | -168.6 | 18.6 | 0 | 0 | 111.4 | T709 L710 D711 P750 M751 | T709-Q713 PolarHBondContact O-NE2 3.05Å; L710-Q713 VanDerWaalsContact CD2-OE1 3.27Å; L710-Q713 WeakPolarHBondContact O-CB 3.11Å; L710-Q713 PolarHBondContact O-N 3.24Å; L710-Q713 VanDerWaalsContact O-N 3.13Å; D711-Q713 PolarHBondContact O-N 3.4Å; Q713-P750 CarbonylContact O-C 3.5Å; Q713-P750 WeakPolarHBondContact O-CA 3.25Å; Q713-M751 WeakPolarHBondContact O-CG 3.22Å; Q713-M751 PolarHBondContact O-N 3.4Å |
| 714 | G | 78.2 | Confident | 65.6 | Low | 26 Ų | 26 | 81.4 Ų | 81.4 | 27% | 0.268 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 161.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y747 | G714-Y747 WeakPolarHBondContact CA-O 3.49Š|
| 715 | I | 79.8 | Confident | 62.7 | Low | 8 Ų | 8 | 85.7 Ų | 85.7 | 4% | 0.041 | 48% | 0.483 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 141.3 | 168.8 | -66.9 | 174.3 | 0 | 0 | 0 | 108.4 | L658 V662 Q666 T670 Y747 M751 | L658-I715 HydrophobicContact CD2-CD1 3.87Å; L658-I715 HydrophobicContact CD2-CG1 4.32Å; V662-I715 HydrophobicContact CB-CD1 3.99Å; V662-I715 HydrophobicContact CG1-CD1 3.48Å; V662-I715 VanDerWaalsContact CG1-CD1 3.48Å; V662-I715 HydrophobicContact CG2-CD1 3.24Å; Q666-I715 HydrophobicContact CB-CG2 4.22Å; T670-I715 VanDerWaalsContact OG1-CG2 3.27Å; T670-I715 WeakPolarHBondContact OG1-CG2 3.35Å; I715-Y747 HydrophobicContact CB-CD1 3.93Å; I715-Y747 HydrophobicContact CG2-CD1 3.78Å; I715-Y747 HydrophobicContact CG2-CE1 4Å; I715-Y747 WeakPolarHBondContact O-CB 3.44Å; I715-Y747 WeakPolarHBondContact O-CD1 3.21Å; I715-M751 HydrophobicContact CG1-SD 4.46Å |
| 716 | T | 73.1 | Confident | 60.1 | Low | 38 Ų | 38 | 85.9 Ų | 85.9 | 23% | 0.233 | 49% | 0.49 | C | S | . | . | P | Polyproline II helix | trans | -74.5 | 133.6 | 179 | -55.7 | 0 | 0 | 0 | 0 | 110.1 | T670 | T670-T716 PolarHBondContact OG1-N 3.36Š|
| 717 | R | 72.2 | Confident | 57.2 | Low | 144 Ų | 144 | 86.9 Ų | 86.9 | 54% | 0.543 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 133.3 | 168.4 | -67.2 | -175.5 | -173.6 | -171.6 | 8.1 | 110.3 | T719 N745 Y747 | R717-T719 PolarHBondContact O-N 3.49Å; R717-N745 PolarHBondContact NE-ND2 3.35Å; R717-N745 PolarHBondContact NH2-ND2 3Å; R717-Y747 HydrophobicContact CG-CD1 3.97Å; R717-Y747 HydrophobicContact CG-CD2 3.45Å; R717-Y747 VanDerWaalsContact CG-CD2 3.45Å; R717-Y747 HydrophobicContact CG-CE1 4.18Å; R717-Y747 HydrophobicContact CG-CE2 3.74Å; R717-Y747 HydrophobicContact CG-CG 3.62Å |
| 718 | P | 57 | Low | 54.2 | Low | 79 Ų | 79 | 94 Ų | 94 | 51% | 0.513 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 118.3 | 170.8 | 23.6 | -28.9 | 0 | 0 | 0 | 109.6 | S720 Y747 | P718-S720 PolarHBondContact O-N 3.38Å; P718-Y747 WeakPolarHBondContact CD-OH 3.11Å |
| 719 | T | 49.5 | Very low | 51.4 | Low | 115 Ų | 115 | 96.9 Ų | 96.9 | 71% | 0.706 | 56% | 0.563 | S | S | * | * | trans | -75 | 114.2 | 177.1 | 43.2 | 0 | 0 | 0 | 0 | 109.5 | R717 E721 | R717-T719 PolarHBondContact O-N 3.49Å; T719-E721 PolarHBondContact O-N 2.85Å | ||
| 720 | S | 38.6 | Very low | 48.6 | Very low | 116 Ų | 116 | 100 Ų | 100 | 81% | 0.811 | 57% | 0.571 | S | S | * | * | trans | -66.6 | 112.8 | 161.6 | 52.3 | 0 | 0 | 0 | 0 | 108.6 | P718 | P718-S720 PolarHBondContact O-N 3.38Š| ||
| 721 | E | 31.1 | Very low | 45.7 | Very low | 174 Ų | 174 | 107.5 Ų | 107.5 | 81% | 0.813 | 60% | 0.602 | S | S | * | * | trans | 38.9 | 113.5 | 156.7 | -68 | 172.5 | -178.6 | 0 | 0 | 118.8 | T719 V723 | T719-E721 PolarHBondContact O-N 2.85Å; E721-V723 PolarHBondContact O-N 3.11Å; E721-V723 VanDerWaalsContact O-N 3.15Å | ||
| 722 | S | 27.9 | Very low | 42.9 | Very low | 119 Ų | 119 | 113.2 Ų | 113.2 | 83% | 0.832 | 63% | 0.627 | S | S | * | * | trans | -35.7 | 109.4 | 147.2 | 49.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 723 | V | 30.2 | Very low | 40.3 | Very low | 135 Ų | 135 | 116.5 Ų | 116.5 | 82% | 0.818 | 64% | 0.644 | S | S | * | * | trans | -121.1 | 108.3 | 142.7 | -177.8 | 0 | 0 | 0 | 0 | 106.5 | E721 | E721-V723 PolarHBondContact O-N 3.11Å; E721-V723 VanDerWaalsContact O-N 3.15Å | ||
| 724 | S | 23.5 | Very low | 37.5 | Very low | 95 Ų | 95 | 120.2 Ų | 120.2 | 66% | 0.664 | 66% | 0.662 | S | S | * | * | trans | -54.6 | 166.2 | 165.8 | 48.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 725 | C | 22.6 | Very low | 34.9 | Very low | 101 Ų | 101 | 127.6 Ų | 127.6 | 68% | 0.682 | 69% | 0.689 | S | S | * | * | trans | 85.3 | 118.5 | 152 | 75.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 726 | D | 24.8 | Very low | 32.3 | Very low | 147 Ų | 147 | 134 Ų | 134 | 79% | 0.786 | 72% | 0.723 | S | S | * | * | trans | 88.2 | 102.3 | 139.6 | -52.8 | -21.8 | 0 | 0 | 0 | 120 | ||||
| 727 | A | 23.2 | Very low | 30.1 | Very low | 83 Ų | 83 | 139.5 Ų | 139.5 | 69% | 0.686 | 75% | 0.751 | S | S | * | * | 43.3 | 134.8 | 119.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 728 | D | 23.3 | Very low | 27.9 | Very low | 149 Ų | 149 | 138.5 Ų | 138.5 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | trans | 87.5 | 111.8 | 146.1 | -69.1 | -16.7 | 0 | 0 | 0 | 120.5 | ||||
| 729 | T | 24.1 | Very low | 26.5 | Very low | 114 Ų | 114 | 139.4 Ų | 139.4 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | 92.3 | 104.7 | 129.2 | -50.7 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 730 | Q | 21.6 | Very low | 25.4 | Very low | 166 Ų | 166 | 140.3 Ų | 140.3 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | 25.8 | 124.9 | 129.9 | -55.6 | 179.2 | -8.4 | 0 | 0 | 119.9 | |||||
| 731 | K | 23.2 | Very low | 24.9 | Very low | 183 Ų | 183 | 140.8 Ų | 140.8 | 80% | 0.796 | 79% | 0.786 | S | S | * | * | trans | 144.7 | 111.3 | 131.2 | -82.2 | 170.6 | 179.7 | 177 | 0 | 109.9 | ||||
| 732 | Q | 22 | Very low | 24.9 | Very low | 179 Ų | 179 | 142.1 Ų | 142.1 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | 59.9 | 120.2 | 99 | -85.2 | -172.8 | -6.5 | 0 | 0 | 115.7 | |||||
| 733 | K | 21.9 | Very low | 25 | Very low | 182 Ų | 182 | 141.5 Ų | 141.5 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | 134.3 | 108.6 | 150.3 | -76.8 | 177.4 | 177.1 | -167.3 | 0 | 110.1 | ||||
| 734 | E | 20.5 | Very low | 25.5 | Very low | 172 Ų | 172 | 141.1 Ų | 141.1 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | 61.5 | 102 | 90.6 | -73.5 | -178.3 | 169.7 | 0 | 0 | 111.5 | |||||
| 735 | E | 23.1 | Very low | 26.9 | Very low | 181 Ų | 181 | 139.1 Ų | 139.1 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | 162.6 | 145.7 | 127.8 | -86 | 174.8 | -177.4 | 0 | 0 | 111.4 | |||||
| 736 | D | 25.1 | Very low | 28.7 | Very low | 142 Ų | 142 | 135 Ų | 135 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | trans | 77.3 | 93.9 | 162.3 | -66.9 | -16.7 | 0 | 0 | 0 | 122.8 | ||||
| 737 | N | 25.7 | Very low | 30.8 | Very low | 153 Ų | 153 | 129.7 Ų | 129.7 | 82% | 0.818 | 71% | 0.706 | S | S | * | * | 1 | 110.3 | 127.7 | -68 | -36.8 | 0 | 0 | 0 | 117.4 | |||||
| 738 | S | 26.5 | Very low | 32.8 | Very low | 124 Ų | 124 | 131.6 Ų | 131.6 | 87% | 0.867 | 71% | 0.705 | S | S | * | * | trans | 148.5 | 81.1 | 137.8 | 60.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 739 | A | 28.3 | Very low | 35.3 | Very low | 98 Ų | 98 | 126.4 Ų | 126.4 | 81% | 0.81 | 67% | 0.674 | S | S | * | * | trans | -146.5 | 97.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 740 | T | 25.3 | Very low | 37.9 | Very low | 134 Ų | 134 | 121.6 Ų | 121.6 | 82% | 0.822 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 142.6 | 171.6 | 43.9 | 0 | 0 | 0 | 0 | 111 | ||
| 741 | P | 29.8 | Very low | 40.9 | Very low | 125 Ų | 125 | 113.8 Ų | 113.8 | 81% | 0.812 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 130.4 | -171.5 | -2.3 | 19.5 | 0 | 0 | 0 | 111.1 | ||
| 742 | K | 29.5 | Very low | 43.9 | Very low | 203 Ų | 203 | 107.3 Ų | 107.3 | 88% | 0.883 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 142.5 | -175.8 | -75.9 | 174.3 | 177.7 | 171.8 | 0 | 112.7 | ||
| 743 | P | 30.7 | Very low | 46.8 | Very low | 105 Ų | 105 | 99.1 Ų | 99.1 | 68% | 0.682 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 162.6 | -179.2 | 24.1 | -34.5 | 0 | 0 | 0 | 113.7 | N745 | P743-N745 PolarHBondContact O-N 3.27Å; P743-N745 VanDerWaalsContact O-N 3.11Å |
| 744 | P | 41.5 | Very low | 49.7 | Very low | 128 Ų | 128 | 91.7 Ų | 91.7 | 83% | 0.831 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 121.4 | -176.7 | 22.6 | -33.4 | 0 | 0 | 0 | 110.2 | C746 | P744-C746 PolarHBondContact O-N 3.2Š|
| 745 | N | 52.9 | Low | 52.5 | Low | 53 Ų | 53 | 88.3 Ų | 88.3 | 28% | 0.283 | 50% | 0.5 | S | S | . | . | P | Polyproline II helix | trans | -76.4 | 128.7 | -166.6 | -143.6 | -10.6 | 0 | 0 | 0 | 109.4 | R717 P743 Y747 D748 | R717-N745 PolarHBondContact NE-ND2 3.35Å; R717-N745 PolarHBondContact NH2-ND2 3Å; P743-N745 PolarHBondContact O-N 3.27Å; P743-N745 VanDerWaalsContact O-N 3.11Å; N745-Y747 HydrophobicContact CB-CD2 4.23Å; N745-Y747 WeakPolarHBondContact ND2-CD2 3.27Å; N745-Y747 PolarHBondContact O-N 2.98Å; N745-Y747 WeakPolarHBondContact OD1-CD2 3.47Å; N745-Y747 WeakPolarHBondContact OD1-CE2 3.4Å; N745-D748 PolarHBondContact O-N 3.35Å; N745-D748 VanDerWaalsContact O-N 3.08Å |
| 746 | C | 59.9 | Low | 54.9 | Low | 14 Ų | 14 | 80.1 Ų | 80.1 | 10% | 0.095 | 46% | 0.462 | C | S | . | . | G | 310 helix | trans | -54.7 | -19.1 | 177.7 | 55.6 | 0 | 0 | 0 | 0 | 113.2 | D659 V662 P744 | D659-C746 HydrophobicContact CB-CB 3.94Å; V662-C746 HydrophobicContact CG2-CB 4.06Å; P744-C746 PolarHBondContact O-N 3.2Å |
| 747 | Y | 68.1 | Low | 56.9 | Low | 36 Ų | 36 | 76.8 Ų | 76.8 | 14% | 0.141 | 45% | 0.445 | C | S | . | . | G | 310 helix | trans | -74.2 | -18.4 | 179 | -49.7 | -69.6 | 0 | 0 | 0 | 115.2 | Q666 G714 I715 R717 P718 N745 | Q666-Y747 PolarHBondContact NE2-OH 3.3Å; G714-Y747 WeakPolarHBondContact CA-O 3.49Å; I715-Y747 HydrophobicContact CB-CD1 3.93Å; I715-Y747 HydrophobicContact CG2-CD1 3.78Å; I715-Y747 HydrophobicContact CG2-CE1 4Å; I715-Y747 WeakPolarHBondContact O-CB 3.44Å; I715-Y747 WeakPolarHBondContact O-CD1 3.21Å; R717-Y747 HydrophobicContact CG-CD1 3.97Å; R717-Y747 HydrophobicContact CG-CD2 3.45Å; R717-Y747 VanDerWaalsContact CG-CD2 3.45Å; R717-Y747 HydrophobicContact CG-CE1 4.18Å; R717-Y747 HydrophobicContact CG-CE2 3.74Å; R717-Y747 HydrophobicContact CG-CG 3.62Å; P718-Y747 WeakPolarHBondContact CD-OH 3.11Å; N745-Y747 HydrophobicContact CB-CD2 4.23Å; N745-Y747 WeakPolarHBondContact ND2-CD2 3.27Å; N745-Y747 PolarHBondContact O-N 2.98Å; N745-Y747 WeakPolarHBondContact OD1-CD2 3.47Å; N745-Y747 WeakPolarHBondContact OD1-CE2 3.4Å |
| 748 | D | 65.6 | Low | 58.3 | Low | 122 Ų | 122 | 72.6 Ų | 72.6 | 65% | 0.652 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -85.9 | -11.7 | -179.2 | -67.4 | -25.1 | 0 | 0 | 0 | 112.7 | N745 | N745-D748 PolarHBondContact O-N 3.35Å; N745-D748 VanDerWaalsContact O-N 3.08Å |
| 749 | R | 75.4 | Confident | 59.7 | Low | 41 Ų | 41 | 70.9 Ų | 70.9 | 16% | 0.155 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -79 | 123 | 178.8 | -173.1 | 173.2 | 177.7 | -175.6 | -10.3 | 109.7 | N657 L658 M751 | N657-R749 PolarHBondContact O-NE 2.85Å; N657-R749 PolarHBondContact OD1-NE 3.32Å; N657-R749 PolarHBondContact OD1-NH2 3.26Å; L658-R749 PolarHBondContact O-NH1 2.86Å; R749-M751 PolarHBondContact O-N 3.28Å |
| 750 | P | 78.5 | Confident | 60.8 | Low | 13 Ų | 13 | 70.8 Ų | 70.8 | 8% | 0.084 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 122 | -177.4 | 27.6 | -34.2 | 0 | 0 | 0 | 111 | N657 R712 Q713 F752 | N657-P750 PolarHBondContact ND2-O 3.49Å; R712-P750 HydrophobicContact CB-CB 4.46Å; R712-P750 VanDerWaalsContact O-CB 3.27Å; R712-P750 WeakPolarHBondContact O-CB 3.35Å; Q713-P750 CarbonylContact O-C 3.5Å; Q713-P750 WeakPolarHBondContact O-CA 3.25Å; P750-F752 HydrophobicContact CB-CE1 4.27Å; P750-F752 HydrophobicContact CG-CE1 4.34Å |
| 751 | M | 85.5 | Confident | 61.7 | Low | 1 Ų | 1 | 71.7 Ų | 71.7 | 1% | 0.005 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 142.2 | 171.3 | 76.8 | -159.1 | -65.7 | 0 | 0 | 109.9 | V655 L658 T670 F671 R712 Q713 I715 R749 V753 | V655-M751 HydrophobicContact CG1-CB 4.2Å; V655-M751 HydrophobicContact CG1-CE 3.48Å; V655-M751 VanDerWaalsContact CG1-CE 3.48Å; L658-M751 HydrophobicContact CD2-CB 4.06Å; L658-M751 HydrophobicContact CD2-CE 4.34Å; T670-M751 HydrophobicContact CG2-CE 4.32Å; T670-M751 HydrophobicContact CG2-SD 4.09Å; F671-M751 HydrophobicContact CD2-CE 4.34Å; F671-M751 HydrophobicContact CE1-CE 4.48Å; F671-M751 HydrophobicContact CE2-CE 3.27Å; F671-M751 HydrophobicContact CZ-CE 3.37Å; R712-M751 WeakPolarHBondContact CA-O 3.12Å; R712-M751 PolarHBondContact N-O 2.77Å; Q713-M751 WeakPolarHBondContact O-CG 3.22Å; Q713-M751 PolarHBondContact O-N 3.4Å; I715-M751 HydrophobicContact CG1-SD 4.46Å; R749-M751 PolarHBondContact O-N 3.28Å; M751-V753 HydrophobicContact CE-CG2 4.32Å; M751-V753 HydrophobicContact CG-CG2 3.89Å |
| 752 | F | 85.5 | Confident | 62.4 | Low | 48 Ų | 48 | 74.9 Ų | 74.9 | 21% | 0.211 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 120.4 | 175.6 | -57.1 | -29.9 | 0 | 0 | 0 | 110.5 | V655 S656 N657 D711 R712 P750 | V655-F752 CarbonylContact C-O 3.5Å; V655-F752 VanDerWaalsContact CA-O 3.31Å; V655-F752 WeakPolarHBondContact CA-O 3.29Å; S656-F752 PolarHBondContact N-O 3.36Å; S656-F752 PolarHBondContact O-N 3.3Å; S656-F752 WeakPolarHBondContact OG-CB 3.33Å; N657-F752 HydrophobicContact CB-CD2 3.58Å; N657-F752 HydrophobicContact CB-CE2 3.68Å; N657-F752 HydrophobicContact CB-CG 4.09Å; N657-F752 HydrophobicContact CB-CZ 4.28Å; D711-F752 WeakPolarHBondContact OD1-CA 3.34Å; R712-F752 HydrophobicContact CG-CD1 3.77Å; R712-F752 HydrophobicContact CG-CE1 3.89Å; P750-F752 HydrophobicContact CB-CE1 4.27Å; P750-F752 HydrophobicContact CG-CE1 4.34Å |
| 753 | V | 84.5 | Confident | 62.9 | Low | 7 Ų | 7 | 70.4 Ų | 70.4 | 4% | 0.042 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 124.1 | -171.7 | -169.3 | 0 | 0 | 0 | 0 | 108.9 | V653 F671 A707 L708 L710 D711 M751 | V653-V753 HydrophobicContact CG1-CG1 3.14Å; F671-V753 HydrophobicContact CE1-CG1 4.23Å; F671-V753 HydrophobicContact CE1-CG2 4.37Å; F671-V753 HydrophobicContact CZ-CG1 4.23Å; F671-V753 HydrophobicContact CZ-CG2 3.92Å; A707-V753 WeakPolarHBondContact O-CG1 3.42Å; L708-V753 HydrophobicContact CD2-CG1 4.48Å; L710-V753 HydrophobicContact CB-CG2 4.46Å; D711-V753 HydrophobicContact CB-CB 4.18Å; D711-V753 PolarHBondContact OD1-N 2.87Å; M751-V753 HydrophobicContact CE-CG2 4.32Å; M751-V753 HydrophobicContact CG-CG2 3.89Å |
| 754 | S | 82.6 | Confident | 63.2 | Low | 25 Ų | 25 | 68.1 Ų | 68.1 | 18% | 0.175 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 156.5 | 179.8 | 60.8 | 0 | 0 | 0 | 0 | 111.8 | V653 F654 C756 | V653-S754 WeakPolarHBondContact CG1-O 3.43Å; F654-S754 PolarHBondContact N-O 3.47Å; F654-S754 PolarHBondContact O-N 3.19Å; F654-S754 PolarHBondContact O-OG 3.39Å; S754-C756 PolarHBondContact O-N 2.84Å |
| 755 | I | 78.7 | Confident | 63.4 | Low | 102 Ų | 102 | 64.1 Ų | 64.1 | 52% | 0.523 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 137.9 | 176.7 | -58.1 | 170.1 | 0 | 0 | 0 | 109.3 | L708 D757 | L708-I755 HydrophobicContact CD1-CD1 4.08Å; L708-I755 HydrophobicContact CD1-CG1 3.7Å; L708-I755 HydrophobicContact CD2-CG1 4.01Å; L708-I755 HydrophobicContact CG-CG1 4.43Å; I755-D757 PolarHBondContact O-N 3.47Å; I755-D757 VanDerWaalsContact O-N 3.11Å |
| 756 | C | 72.6 | Confident | 63 | Low | 8 Ų | 8 | 66.6 Ų | 66.6 | 5% | 0.054 | 36% | 0.363 | C | S | . | . | trans | -66.2 | 108.6 | 176.4 | -173.3 | 0 | 0 | 0 | 0 | 110.3 | T652 S754 | T652-C756 WeakPolarHBondContact O-CB 3.45Å; T652-C756 PolarHBondContact O-N 2.84Å; T652-C756 WeakPolarHBondContact OG1-CB 3.33Å; T652-C756 PolarHBondContact OG1-SG 3.42Å; S754-C756 PolarHBondContact O-N 2.84Å | ||
| 757 | D | 67.1 | Low | 62.6 | Low | 73 Ų | 73 | 74.3 Ų | 74.3 | 39% | 0.39 | 40% | 0.395 | S | S | . | . | trans | -115.6 | 108.7 | 172.9 | -175.9 | -3.6 | 0 | 0 | 0 | 109 | I755 S759 R760 | I755-D757 PolarHBondContact O-N 3.47Å; I755-D757 VanDerWaalsContact O-N 3.11Å; D757-S759 VanDerWaalsContact CG-OG 3.28Å; D757-S759 PolarHBondContact O-N 3.24Å; D757-S759 WeakPolarHBondContact OD1-CB 3.41Å; D757-S759 PolarHBondContact OD1-N 2.88Å; D757-S759 PolarHBondContact OD1-OG 3.49Å; D757-S759 PolarHBondContact OD2-OG 3.4Å; D757-R760 HydrophobicContact CB-CB 4.39Å; D757-R760 WeakPolarHBondContact O-CB 3.34Å; D757-R760 PolarHBondContact O-N 3.03Å | ||
| 758 | P | 56.7 | Low | 62.1 | Low | 65 Ų | 65 | 76.7 Ų | 76.7 | 42% | 0.422 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -22.6 | 178.7 | -9.3 | 22.5 | 0 | 0 | 0 | 112.5 | H644 N649 R760 | H644-P758 WeakPolarHBondContact NE2-CG 3.35Å; N649-P758 WeakPolarHBondContact ND2-CD 3.33Å; N649-P758 WeakPolarHBondContact ND2-CG 3.3Å; N649-P758 WeakPolarHBondContact OD1-CG 3.34Å; P758-R760 PolarHBondContact O-N 3.26Å |
| 759 | S | 54.7 | Low | 61.6 | Low | 88 Ų | 88 | 75 Ų | 75 | 62% | 0.615 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -4 | -179.3 | 76.9 | 0 | 0 | 0 | 0 | 112.9 | D757 L761 | D757-S759 VanDerWaalsContact CG-OG 3.28Å; D757-S759 PolarHBondContact O-N 3.24Å; D757-S759 WeakPolarHBondContact OD1-CB 3.41Å; D757-S759 PolarHBondContact OD1-N 2.88Å; D757-S759 PolarHBondContact OD1-OG 3.49Å; D757-S759 PolarHBondContact OD2-OG 3.4Å; S759-L761 PolarHBondContact O-N 3.04Å |
| 760 | R | 51.1 | Low | 61 | Low | 96 Ų | 96 | 75.9 Ų | 75.9 | 36% | 0.362 | 41% | 0.408 | S | S | . | . | trans | -72.1 | 52.7 | 176.5 | -125.8 | -179.3 | -174.8 | -168.3 | -2.1 | 112.9 | D757 P758 K762 C764 | D757-R760 HydrophobicContact CB-CB 4.39Å; D757-R760 WeakPolarHBondContact O-CB 3.34Å; D757-R760 PolarHBondContact O-N 3.03Å; P758-R760 PolarHBondContact O-N 3.26Å; R760-K762 PolarHBondContact O-N 2.89Å; R760-C764 HydrophobicContact CG-CB 4.4Å; R760-C764 WeakPolarHBondContact CG-SG 3.28Å; R760-C764 PolarHBondContact NE-SG 3.4Å | ||
| 761 | L | 45.4 | Very low | 60.3 | Low | 153 Ų | 153 | 76.9 Ų | 76.9 | 80% | 0.801 | 42% | 0.421 | S | S | * | . | trans | -66.4 | 95.7 | 165.9 | -80.4 | 152.6 | 0 | 0 | 0 | 108.3 | S759 | S759-L761 PolarHBondContact O-N 3.04Š| ||
| 762 | K | 43.4 | Very low | 59.5 | Low | 191 Ų | 191 | 83.7 Ų | 83.7 | 83% | 0.83 | 45% | 0.451 | S | S | * | . | S | Bend | trans | 72.1 | 136.3 | -177.4 | -54.9 | 168 | 178.3 | 172.5 | 0 | 112.7 | R760 C764 | R760-K762 PolarHBondContact O-N 2.89Å; K762-C764 PolarHBondContact O-N 3.32Å |
| 763 | S | 39.8 | Very low | 59.1 | Low | 109 Ų | 109 | 87.9 Ų | 87.9 | 76% | 0.762 | 47% | 0.469 | S | S | * | . | trans | -9.3 | 98.3 | 170.6 | 173 | 0 | 0 | 0 | 0 | 113.8 | G765 | S763-G765 PolarHBondContact O-N 2.93Š| ||
| 764 | C | 38.4 | Very low | 58.9 | Low | 58 Ų | 58 | 88.7 Ų | 88.7 | 39% | 0.392 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -47.1 | 135 | 163.9 | -80.8 | 0 | 0 | 0 | 0 | 108.6 | R760 K762 | R760-C764 HydrophobicContact CG-CB 4.4Å; R760-C764 WeakPolarHBondContact CG-SG 3.28Å; R760-C764 PolarHBondContact NE-SG 3.4Å; K762-C764 PolarHBondContact O-N 3.32Å |
| 765 | G | 44.2 | Very low | 59 | Low | 44 Ų | 44 | 90.5 Ų | 90.5 | 45% | 0.454 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -49 | 159.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | S763 K767 | S763-G765 PolarHBondContact O-N 2.93Å; G765-K767 PolarHBondContact O-N 3.43Å |
| 766 | F | 44.9 | Very low | 59.4 | Low | 104 Ų | 104 | 89 Ų | 89 | 46% | 0.456 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -47.9 | 116.3 | 173 | -177.7 | -108.1 | 0 | 0 | 0 | 109 | Y768 V770 P853 | F766-Y768 WeakPolarHBondContact CD1-O 3.33Å; F766-Y768 HydrophobicContact CD2-CD2 4.34Å; F766-Y768 VanDerWaalsContact CE1-CB 3.47Å; F766-Y768 HydrophobicContact CE1-CD2 4.09Å; F766-Y768 HydrophobicContact CE1-CG 4.25Å; F766-Y768 AromaticContact CE2-CD2 3.82Å; F766-Y768 HydrophobicContact CE2-CD2 3.82Å; F766-Y768 AromaticContact CZ-CD2 3.68Å; F766-Y768 HydrophobicContact CZ-CD2 3.68Å; F766-Y768 HydrophobicContact CZ-CG 4.16Å; F766-Y768 PolarHBondContact O-N 3.19Å; F766-V770 HydrophobicContact CD1-CG1 3.46Å; F766-V770 VanDerWaalsContact CD1-CG1 3.46Å; F766-V770 HydrophobicContact CE1-CG1 3.81Å; F766-V770 HydrophobicContact CG-CG1 4.48Å; F766-P853 HydrophobicContact CE1-CB 3.66Å; F766-P853 HydrophobicContact CZ-CB 3.89Å |
| 767 | K | 52.2 | Low | 60.2 | Low | 176 Ų | 176 | 89.3 Ų | 89.3 | 77% | 0.765 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -68 | -13.5 | -170.8 | -70.4 | -174 | 174.7 | -173 | 0 | 113.8 | G765 | G765-K767 PolarHBondContact O-N 3.43Š|
| 768 | Y | 56.3 | Low | 61.2 | Low | 86 Ų | 86 | 85.9 Ų | 85.9 | 34% | 0.337 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -96.2 | 146.6 | -177.8 | -51.4 | -89.1 | 0 | 0 | 0 | 110 | F766 V770 R806 | F766-Y768 WeakPolarHBondContact CD1-O 3.33Å; F766-Y768 HydrophobicContact CD2-CD2 4.34Å; F766-Y768 VanDerWaalsContact CE1-CB 3.47Å; F766-Y768 HydrophobicContact CE1-CD2 4.09Å; F766-Y768 HydrophobicContact CE1-CG 4.25Å; F766-Y768 AromaticContact CE2-CD2 3.82Å; F766-Y768 HydrophobicContact CE2-CD2 3.82Å; F766-Y768 AromaticContact CZ-CD2 3.68Å; F766-Y768 HydrophobicContact CZ-CD2 3.68Å; F766-Y768 HydrophobicContact CZ-CG 4.16Å; F766-Y768 PolarHBondContact O-N 3.19Å; Y768-V770 PolarHBondContact O-N 3.02Å; Y768-R806 PolarHBondContact OH-NH1 2.61Å |
| 769 | T | 55.3 | Low | 62.9 | Low | 87 Ų | 87 | 83.8 Ų | 83.8 | 53% | 0.534 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 116.2 | 174.5 | 43.9 | 0 | 0 | 0 | 0 | 109.6 | ||
| 770 | V | 63.5 | Low | 64.6 | Low | 59 Ų | 59 | 79.6 Ų | 79.6 | 36% | 0.358 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | 143.2 | 179.2 | -65.1 | 0 | 0 | 0 | 0 | 111 | F766 Y768 K772 P854 | F766-V770 HydrophobicContact CD1-CG1 3.46Å; F766-V770 VanDerWaalsContact CD1-CG1 3.46Å; F766-V770 HydrophobicContact CE1-CG1 3.81Å; F766-V770 HydrophobicContact CG-CG1 4.48Å; Y768-V770 PolarHBondContact O-N 3.02Å; V770-K772 VanDerWaalsContact C-N 3.31Å; V770-K772 PolarHBondContact O-N 3Å; V770-P854 WeakPolarHBondContact CB-O 3.4Å; V770-P854 WeakPolarHBondContact CG1-O 3.33Å |
| 771 | G | 64 | Low | 66.3 | Low | 34 Ų | 34 | 82 Ų | 82 | 35% | 0.351 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | 2.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | P853 | G771-P853 PolarHBondContact N-O 3.3Š|
| 772 | K | 69 | Low | 68.3 | Low | 145 Ų | 145 | 78.5 Ų | 78.5 | 63% | 0.63 | 40% | 0.402 | S | S | * | . | trans | -108.8 | 128.7 | 173.4 | -68 | -172.5 | 178.6 | -175 | 0 | 109.3 | V770 E774 P853 | V770-K772 VanDerWaalsContact C-N 3.31Å; V770-K772 PolarHBondContact O-N 3Å; K772-E774 PolarHBondContact O-N 2.83Å; K772-P853 WeakPolarHBondContact O-CD 3.45Å | ||
| 773 | K | 76 | Confident | 70.3 | Confident | 136 Ų | 136 | 69.5 Ų | 69.5 | 59% | 0.591 | 36% | 0.363 | S | S | * | . | trans | -63.4 | 130.7 | 170.1 | -66.2 | -178.9 | 177.3 | 178.8 | 0 | 109.1 | P775 I850 E852 | K773-P775 WeakPolarHBondContact O-CD 3.43Å; K773-I850 HydrophobicContact CB-CG2 4.49Å; K773-E852 WeakPolarHBondContact CE-OE1 3.45Å; K773-E852 WeakPolarHBondContact CE-OE2 3.32Å; K773-E852 HydrophobicContact CG-CB 4.26Å; K773-E852 HydrophobicContact CG-CG 4.01Å; K773-E852 WeakPolarHBondContact CG-OE1 3.46Å | ||
| 774 | E | 81.7 | Confident | 72.3 | Confident | 23 Ų | 23 | 66.1 Ų | 66.1 | 11% | 0.107 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 88.8 | 173.6 | -62.3 | 172.6 | 139.2 | 0 | 0 | 107.5 | K772 E776 K777 I850 S851 | K772-E774 PolarHBondContact O-N 2.83Å; E774-E776 PolarHBondContact O-N 2.93Å; E774-K777 HydrophobicContact CB-CB 3.96Å; E774-K777 PolarHBondContact O-N 2.98Å; E774-K777 IonicContact OE1-NZ 2.77Å; E774-K777 PolarHBondContact OE1-NZ 2.99Å; E774-K777 WeakPolarHBondContact OE2-CD 3.38Å; E774-K777 WeakPolarHBondContact OE2-CE 3.23Å; E774-K777 IonicContact OE2-NZ 2.72Å; E774-K777 PolarHBondContact OE2-NZ 3.23Å; E774-I850 WeakPolarHBondContact O-CG2 3.45Å; E774-S851 PolarHBondContact N-O 2.91Å; E774-S851 PolarHBondContact OE2-OG 3.45Å |
| 775 | P | 83.8 | Confident | 74.4 | Confident | 63 Ų | 63 | 69.2 Ų | 69.2 | 41% | 0.409 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | -26.5 | -172 | 27 | -35.1 | 0 | 0 | 0 | 113.6 | K773 K777 A826 A829 | K773-P775 WeakPolarHBondContact O-CD 3.43Å; P775-K777 VanDerWaalsContact C-N 3.26Å; P775-K777 PolarHBondContact O-N 2.97Å; P775-A826 HydrophobicContact CB-CB 4.09Å; P775-A826 HydrophobicContact CG-CB 4.4Å; P775-A829 WeakPolarHBondContact O-CB 3.37Å |
| 776 | E | 86.8 | Confident | 76.2 | Confident | 72 Ų | 72 | 71.1 Ų | 71.1 | 34% | 0.336 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | -11.8 | 173.7 | 63.7 | -81.3 | 179.3 | 0 | 0 | 114.3 | E774 F823 | E774-E776 PolarHBondContact O-N 2.93Å; E776-F823 PolarHBondContact O-N 3.43Å |
| 777 | K | 89.5 | Confident | 78 | Confident | 13 Ų | 13 | 66.3 Ų | 66.3 | 6% | 0.057 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 124.6 | -172.8 | -173.9 | 163.1 | 151.4 | -139 | 0 | 111.8 | E774 P775 I821 E822 S851 | E774-K777 HydrophobicContact CB-CB 3.96Å; E774-K777 PolarHBondContact O-N 2.98Å; E774-K777 IonicContact OE1-NZ 2.77Å; E774-K777 PolarHBondContact OE1-NZ 2.99Å; E774-K777 WeakPolarHBondContact OE2-CD 3.38Å; E774-K777 WeakPolarHBondContact OE2-CE 3.23Å; E774-K777 IonicContact OE2-NZ 2.72Å; E774-K777 PolarHBondContact OE2-NZ 3.23Å; P775-K777 VanDerWaalsContact C-N 3.26Å; P775-K777 PolarHBondContact O-N 2.97Å; K777-I821 CarbonylContact C-O 3.6Å; K777-I821 WeakPolarHBondContact CA-O 3.22Å; K777-E822 HydrophobicContact CB-CB 4.49Å; K777-E822 HydrophobicContact CB-CG 4.49Å; K777-E822 HydrophobicContact CD-CB 4.31Å; K777-E822 HydrophobicContact CG-CB 4.31Å; K777-S851 WeakPolarHBondContact O-CB 3.33Å; K777-S851 PolarHBondContact O-N 2.81Å |
| 778 | L | 89.4 | Confident | 79.4 | Confident | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 146.3 | 178.4 | -60.1 | -176.4 | 0 | 0 | 0 | 111.4 | F796 Y820 I821 F823 A829 A832 L833 V848 S849 | L778-F796 HydrophobicContact CD1-CD1 4.48Å; L778-F796 HydrophobicContact CD1-CE1 4.12Å; L778-Y820 CarbonylContact O-C 3.58Å; L778-Y820 WeakPolarHBondContact O-CA 3.22Å; L778-I821 PolarHBondContact N-O 3.3Å; L778-I821 PolarHBondContact O-N 2.8Å; L778-F823 HydrophobicContact CD1-CD2 4.42Å; L778-F823 HydrophobicContact CD1-CE2 3.84Å; L778-F823 HydrophobicContact CG-CE2 4.4Å; L778-A829 HydrophobicContact CD1-CB 4.47Å; L778-A829 WeakPolarHBondContact CD1-O 3.32Å; L778-A829 HydrophobicContact CD2-CB 4.02Å; L778-A829 HydrophobicContact CG-CB 4.05Å; L778-A832 HydrophobicContact CD1-CB 3.82Å; L778-L833 HydrophobicContact CD1-CB 4.43Å; L778-L833 HydrophobicContact CD2-CB 4.02Å; L778-L833 HydrophobicContact CD2-CD1 3.94Å; L778-V848 HydrophobicContact CB-CG1 4.18Å; L778-V848 HydrophobicContact CD1-CG1 3.95Å; L778-V848 HydrophobicContact CG-CG1 4.47Å; L778-S849 CarbonylContact C-O 3.59Å; L778-S849 WeakPolarHBondContact CA-O 3.41Å |
| 779 | F | 91.2 | Very high | 80.6 | Confident | 21 Ų | 21 | 64 Ų | 64 | 9% | 0.092 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 114.1 | 171.2 | 176.8 | -117.1 | 0 | 0 | 0 | 109.8 | R781 H818 Y820 S849 | F779-R781 HydrophobicContact CD1-CG 3.85Å; F779-R781 HydrophobicContact CE1-CG 3.13Å; F779-R781 VanDerWaalsContact CE1-CZ 3.47Å; F779-R781 HydrophobicContact CE2-CG 4.47Å; F779-R781 HydrophobicContact CZ-CG 3.51Å; F779-H818 HydrophobicContact CE2-CB 3.7Å; F779-H818 AromaticContact CE2-CD2 3.59Å; F779-H818 AromaticContact CE2-CG 3.8Å; F779-H818 HydrophobicContact CZ-CB 3.95Å; F779-Y820 HydrophobicContact CB-CD1 4.35Å; F779-Y820 HydrophobicContact CB-CE1 4.35Å; F779-Y820 AromaticContact CD2-CD1 3.81Å; F779-Y820 HydrophobicContact CD2-CD1 3.81Å; F779-Y820 AromaticContact CD2-CE1 3.35Å; F779-Y820 HydrophobicContact CD2-CE1 3.35Å; F779-Y820 HydrophobicContact CD2-CE2 4.26Å; F779-Y820 HydrophobicContact CD2-CG 4.43Å; F779-Y820 AromaticContact CD2-CZ 3.6Å; F779-Y820 AromaticContact CE2-CE1 3.95Å; F779-Y820 HydrophobicContact CE2-CE1 3.95Å; F779-Y820 HydrophobicContact CE2-CE2 4.28Å; F779-Y820 AromaticContact CE2-CZ 3.7Å; F779-Y820 HydrophobicContact CG-CE1 4.15Å; F779-S849 PolarHBondContact N-O 3.04Å; F779-S849 PolarHBondContact O-N 3.47Å; F779-S849 PolarHBondContact O-OG 3.33Å |
| 780 | V | 89.8 | Confident | 82 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 116.6 | -175.7 | -176.4 | 0 | 0 | 0 | 0 | 109 | L783 F796 H818 A819 I821 S847 V848 | V780-L783 HydrophobicContact CB-CD1 4.34Å; V780-L783 HydrophobicContact CG1-CD1 4.01Å; V780-L783 HydrophobicContact CG1-CD2 3.79Å; V780-L783 HydrophobicContact CG1-CG 3.84Å; V780-F796 HydrophobicContact CG2-CE1 4.37Å; V780-F796 HydrophobicContact CG2-CE2 4.16Å; V780-F796 HydrophobicContact CG2-CZ 3.65Å; V780-H818 CarbonylContact O-C 3.39Å; V780-H818 WeakPolarHBondContact O-CA 3.39Å; V780-H818 WeakPolarHBondContact O-CB 3.37Å; V780-A819 PolarHBondContact N-O 3.48Å; V780-A819 PolarHBondContact O-N 3.43Å; V780-I821 HydrophobicContact CG2-CD1 3.91Å; V780-I821 HydrophobicContact CG2-CG1 4.39Å; V780-S847 CarbonylContact C-O 3.41Å; V780-V848 HydrophobicContact CB-CG2 4.47Å; V780-V848 HydrophobicContact CG1-CG2 4.09Å; V780-V848 HydrophobicContact CG2-CG1 4.21Å; V780-V848 HydrophobicContact CG2-CG2 4.11Å |
| 781 | R | 88.2 | Confident | 83.1 | Confident | 146 Ų | 146 | 65.4 Ų | 65.4 | 55% | 0.551 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104 | 162.8 | 176.9 | -65.9 | -174.4 | 118 | 122.5 | 2.9 | 111.5 | F779 L783 S847 | F779-R781 HydrophobicContact CD1-CG 3.85Å; F779-R781 HydrophobicContact CE1-CG 3.13Å; F779-R781 VanDerWaalsContact CE1-CZ 3.47Å; F779-R781 HydrophobicContact CE2-CG 4.47Å; F779-R781 HydrophobicContact CZ-CG 3.51Å; R781-L783 VanDerWaalsContact C-N 3.33Å; R781-L783 PolarHBondContact O-N 3.46Å; R781-S847 PolarHBondContact N-O 3.28Å; R781-S847 PolarHBondContact O-N 3.22Å; R781-S847 VanDerWaalsContact O-N 3.1Å |
| 782 | N | 86.8 | Confident | 84.1 | Confident | 80 Ų | 80 | 63.8 Ų | 63.8 | 43% | 0.428 | 30% | 0.302 | S | S | . | . | S | Bend | trans | 65.4 | 30 | 177.5 | -158.9 | 30.1 | 0 | 0 | 0 | 114.5 | G817 K844 I845 | N782-G817 PolarHBondContact N-O 2.7Å; N782-K844 WeakPolarHBondContact O-CD 3.35Å; N782-I845 WeakPolarHBondContact CB-O 3.42Å; N782-I845 PolarHBondContact ND2-O 2.91Å |
| 783 | L | 85.6 | Confident | 85 | Confident | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.016 | 29% | 0.293 | C | S | . | . | trans | -68.9 | 139.8 | 173.1 | -69.4 | 169.4 | 0 | 0 | 0 | 110.8 | V780 R781 L792 L807 G817 A819 L846 | V780-L783 HydrophobicContact CB-CD1 4.34Å; V780-L783 HydrophobicContact CG1-CD1 4.01Å; V780-L783 HydrophobicContact CG1-CD2 3.79Å; V780-L783 HydrophobicContact CG1-CG 3.84Å; R781-L783 VanDerWaalsContact C-N 3.33Å; R781-L783 PolarHBondContact O-N 3.46Å; L783-L792 HydrophobicContact CD1-CD1 3.99Å; L783-L792 HydrophobicContact CD1-CD2 4.08Å; L783-L792 HydrophobicContact CD2-CD2 3.66Å; L783-L807 HydrophobicContact CD1-CD1 4.07Å; L783-G817 PolarHBondContact N-O 3.37Å; L783-G817 WeakPolarHBondContact O-CA 3.46Å; L783-A819 HydrophobicContact CD1-CB 3.51Å; L783-L846 HydrophobicContact CD2-CD1 4.42Å; L783-L846 HydrophobicContact CD2-CD2 3.6Å; L783-L846 HydrophobicContact CG-CD2 4.39Å | ||
| 784 | D | 82.5 | Confident | 85.5 | Confident | 37 Ų | 37 | 61.7 Ų | 61.7 | 20% | 0.198 | 30% | 0.298 | C | S | . | . | trans | -65.8 | 143.9 | 170.1 | -172.9 | 27.7 | 0 | 0 | 0 | 110.8 | T786 V787 K844 | D784-T786 PolarHBondContact O-N 3.48Å; D784-T786 VanDerWaalsContact O-N 3.12Å; D784-T786 WeakPolarHBondContact OD2-CG2 3.47Å; D784-T786 PolarHBondContact OD2-OG1 3.33Å; D784-V787 HydrophobicContact CB-CG2 4.04Å; D784-V787 WeakPolarHBondContact O-CB 3.44Å; D784-V787 WeakPolarHBondContact O-CG2 3.33Å; D784-V787 PolarHBondContact O-N 3.16Å; D784-V787 VanDerWaalsContact O-N 3.12Å; D784-K844 HydrophobicContact CB-CD 4.09Å; D784-K844 IonicContact OD1-NZ 2.87Å | ||
| 785 | K | 82.1 | Confident | 85.7 | Confident | 124 Ų | 124 | 61.8 Ų | 61.8 | 54% | 0.539 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -10.2 | -176.7 | -65 | 176.5 | -177 | 170.4 | 0 | 112.5 | P815 | K785-P815 HydrophobicContact CB-CG 4.19Å; K785-P815 WeakPolarHBondContact O-CG 3.41Å |
| 786 | T | 81.3 | Confident | 86 | Confident | 83 Ų | 83 | 58.8 Ų | 58.8 | 51% | 0.509 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -9.9 | 176.1 | 67.6 | 0 | 0 | 0 | 0 | 113.4 | D784 R842 | D784-T786 PolarHBondContact O-N 3.48Å; D784-T786 VanDerWaalsContact O-N 3.12Å; D784-T786 WeakPolarHBondContact OD2-CG2 3.47Å; D784-T786 PolarHBondContact OD2-OG1 3.33Å; T786-R842 PolarHBondContact O-NH1 3.28Å; T786-R842 VanDerWaalsContact O-NH1 3.07Å; T786-R842 PolarHBondContact OG1-NH1 2.84Å; T786-R842 VanDerWaalsContact OG1-NH1 3.14Å |
| 787 | V | 82.7 | Confident | 86 | Confident | 4 Ų | 4 | 61.7 Ų | 61.7 | 2% | 0.024 | 29% | 0.292 | C | S | . | . | trans | -75.1 | 127 | -175.9 | -179.8 | 0 | 0 | 0 | 0 | 110.3 | D784 D791 L792 L807 F841 | D784-V787 HydrophobicContact CB-CG2 4.04Å; D784-V787 WeakPolarHBondContact O-CB 3.44Å; D784-V787 WeakPolarHBondContact O-CG2 3.33Å; D784-V787 PolarHBondContact O-N 3.16Å; D784-V787 VanDerWaalsContact O-N 3.12Å; V787-D791 HydrophobicContact CG1-CB 3.87Å; V787-L792 HydrophobicContact CG1-CD1 4.49Å; V787-L792 HydrophobicContact CG1-CD2 4.04Å; V787-L792 HydrophobicContact CG1-CG 3.84Å; V787-L807 WeakPolarHBondContact O-CD2 3.38Å; V787-F841 HydrophobicContact CG1-CE1 4.01Å; V787-F841 HydrophobicContact CG2-CD1 4.09Å; V787-F841 HydrophobicContact CG2-CE1 3.66Å | ||
| 788 | K | 82.8 | Confident | 85.9 | Confident | 137 Ų | 137 | 67.1 Ų | 67.1 | 60% | 0.596 | 32% | 0.317 | S | S | * | . | trans | -94.4 | 166.7 | 175.6 | -67.4 | -175.7 | 178.9 | -180 | 0 | 111.4 | E790 D791 L792 | K788-E790 PolarHBondContact O-N 3.33Å; K788-D791 PolarHBondContact N-OD2 2.85Å; K788-D791 WeakPolarHBondContact O-CB 3.35Å; K788-D791 PolarHBondContact O-N 3.17Å; K788-L792 PolarHBondContact O-N 3.23Å | ||
| 789 | N | 80.6 | Confident | 85.8 | Confident | 77 Ų | 77 | 69.6 Ų | 69.6 | 41% | 0.412 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -57 | -38.3 | 175.1 | -71.3 | -20.4 | 0 | 0 | 0 | 112.1 | D791 L792 E793 L807 | N789-D791 PolarHBondContact O-N 3.16Å; N789-L792 PolarHBondContact O-N 2.84Å; N789-E793 PolarHBondContact O-N 3.14Å; N789-L807 WeakPolarHBondContact OD1-CB 3.42Å |
| 790 | E | 84.1 | Confident | 85.6 | Confident | 138 Ų | 138 | 69.4 Ų | 69.4 | 65% | 0.645 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -62.8 | -38.8 | 178.9 | -65.3 | 164.1 | -166.8 | 0 | 0 | 112.7 | K788 L792 E793 M794 | K788-E790 PolarHBondContact O-N 3.33Å; E790-L792 VanDerWaalsContact C-N 3.34Å; E790-L792 PolarHBondContact O-N 3.46Å; E790-E793 PolarHBondContact O-N 3.39Å; E790-M794 WeakPolarHBondContact O-CB 3.37Å; E790-M794 PolarHBondContact O-N 3.36Å |
| 791 | D | 86.3 | Confident | 85.4 | Confident | 37 Ų | 37 | 74.9 Ų | 74.9 | 20% | 0.198 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 177.4 | -65.7 | -45.8 | 0 | 0 | 0 | 110.8 | V787 K788 N789 L795 F841 R842 | V787-D791 HydrophobicContact CG1-CB 3.87Å; K788-D791 PolarHBondContact N-OD2 2.85Å; K788-D791 WeakPolarHBondContact O-CB 3.35Å; K788-D791 PolarHBondContact O-N 3.17Å; N789-D791 PolarHBondContact O-N 3.16Å; D791-L795 WeakPolarHBondContact O-CB 3.36Å; D791-L795 PolarHBondContact O-N 3.44Å; D791-F841 HydrophobicContact CB-CZ 4.27Å; D791-R842 IonicContact OD1-NH2 3.72Å; D791-R842 PolarHBondContact OD1-NH2 2.92Å; D791-R842 VanDerWaalsContact OD1-NH2 3.08Å; D791-R842 IonicContact OD2-CZ 3.86Å; D791-R842 IonicContact OD2-NH1 3.35Å; D791-R842 IonicContact OD2-NH2 3.7Å; D791-R842 PolarHBondContact OD2-NH2 3.18Å |
| 792 | L | 86.9 | Confident | 85.4 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.6 | -41.3 | 176.6 | -69.6 | 175.6 | 0 | 0 | 0 | 111.7 | L783 V787 K788 N789 E790 M794 L795 F796 V805 L807 A819 I821 | L783-L792 HydrophobicContact CD1-CD1 3.99Å; L783-L792 HydrophobicContact CD1-CD2 4.08Å; L783-L792 HydrophobicContact CD2-CD2 3.66Å; V787-L792 HydrophobicContact CG1-CD1 4.49Å; V787-L792 HydrophobicContact CG1-CD2 4.04Å; V787-L792 HydrophobicContact CG1-CG 3.84Å; K788-L792 PolarHBondContact O-N 3.23Å; N789-L792 PolarHBondContact O-N 2.84Å; E790-L792 VanDerWaalsContact C-N 3.34Å; E790-L792 PolarHBondContact O-N 3.46Å; L792-M794 VanDerWaalsContact C-N 3.33Å; L792-M794 PolarHBondContact O-N 3.28Å; L792-L795 PolarHBondContact O-N 3.46Å; L792-F796 HydrophobicContact CD2-CE2 4.29Å; L792-F796 WeakPolarHBondContact O-CB 3.26Å; L792-F796 WeakPolarHBondContact O-CD2 3.38Å; L792-F796 PolarHBondContact O-N 2.96Å; L792-V805 HydrophobicContact CB-CG1 3.87Å; L792-V805 HydrophobicContact CD1-CG1 4.07Å; L792-L807 HydrophobicContact CD1-CD1 4.19Å; L792-A819 HydrophobicContact CD1-CB 3.55Å; L792-I821 HydrophobicContact CB-CD1 4.49Å |
| 793 | E | 86.7 | Confident | 85.2 | Confident | 92 Ų | 92 | 69.7 Ų | 69.7 | 43% | 0.43 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.1 | -45.2 | 176 | -166.4 | 177.7 | 166.9 | 0 | 0 | 110.3 | N789 E790 L795 F796 K797 I802 V805 | N789-E793 PolarHBondContact O-N 3.14Å; E790-E793 PolarHBondContact O-N 3.39Å; E793-L795 PolarHBondContact O-N 3.02Å; E793-F796 PolarHBondContact O-N 3.07Å; E793-K797 WeakPolarHBondContact O-CB 3.27Å; E793-K797 PolarHBondContact O-N 3.07Å; E793-I802 HydrophobicContact CG-CD1 4.22Å; E793-V805 HydrophobicContact CB-CG2 4.2Å; E793-V805 HydrophobicContact CG-CG2 4.45Å |
| 794 | M | 86.2 | Confident | 85 | Confident | 145 Ų | 145 | 72.1 Ų | 72.1 | 71% | 0.714 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -61 | -44.8 | 175.3 | -168.1 | -173.4 | -65.8 | 0 | 0 | 112.4 | E790 L792 | E790-M794 WeakPolarHBondContact O-CB 3.37Å; E790-M794 PolarHBondContact O-N 3.36Å; L792-M794 VanDerWaalsContact C-N 3.33Å; L792-M794 PolarHBondContact O-N 3.28Å |
| 795 | L | 86.9 | Confident | 85.2 | Confident | 25 Ų | 25 | 71.7 Ų | 71.7 | 13% | 0.131 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66.5 | -37.1 | -178.6 | -176.5 | 65.8 | 0 | 0 | 0 | 112.8 | D791 L792 E793 Q798 Y799 F841 L846 | D791-L795 WeakPolarHBondContact O-CB 3.36Å; D791-L795 PolarHBondContact O-N 3.44Å; L792-L795 PolarHBondContact O-N 3.46Å; E793-L795 PolarHBondContact O-N 3.02Å; L795-Q798 WeakPolarHBondContact O-CG 3.43Å; L795-Q798 PolarHBondContact O-NE2 3.08Å; L795-Q798 VanDerWaalsContact O-NE2 3.13Å; L795-Y799 WeakPolarHBondContact O-CE2 3.33Å; L795-F841 HydrophobicContact CD1-CD2 4.37Å; L795-F841 HydrophobicContact CD1-CE2 4.45Å; L795-F841 HydrophobicContact CD2-CD2 4.07Å; L795-F841 HydrophobicContact CD2-CE2 4.28Å; L795-F841 HydrophobicContact CD2-CG 4.29Å; L795-L846 HydrophobicContact CD2-CD1 3.92Å |
| 796 | F | 89.7 | Confident | 85.3 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -95.3 | -21.1 | -174.9 | -78.5 | -93.3 | 0 | 0 | 0 | 113.9 | L778 V780 L792 E793 Q798 Y799 I802 I821 F823 A832 T836 V848 | L778-F796 HydrophobicContact CD1-CD1 4.48Å; L778-F796 HydrophobicContact CD1-CE1 4.12Å; V780-F796 HydrophobicContact CG2-CE1 4.37Å; V780-F796 HydrophobicContact CG2-CE2 4.16Å; V780-F796 HydrophobicContact CG2-CZ 3.65Å; L792-F796 HydrophobicContact CD2-CE2 4.29Å; L792-F796 WeakPolarHBondContact O-CB 3.26Å; L792-F796 WeakPolarHBondContact O-CD2 3.38Å; L792-F796 PolarHBondContact O-N 2.96Å; E793-F796 PolarHBondContact O-N 3.07Å; F796-Q798 PolarHBondContact O-N 3.23Å; F796-Y799 PolarHBondContact O-N 2.77Å; F796-I802 HydrophobicContact CB-CD1 3.7Å; F796-I821 HydrophobicContact CB-CD1 4.2Å; F796-I821 HydrophobicContact CB-CG2 4.35Å; F796-I821 HydrophobicContact CD1-CD1 3.88Å; F796-I821 HydrophobicContact CD2-CD1 3.18Å; F796-I821 HydrophobicContact CE1-CD1 4.02Å; F796-I821 HydrophobicContact CE2-CD1 3.33Å; F796-I821 HydrophobicContact CG-CD1 3.47Å; F796-I821 VanDerWaalsContact CG-CD1 3.47Å; F796-I821 HydrophobicContact CG-CG2 4.45Å; F796-I821 HydrophobicContact CZ-CD1 3.76Å; F796-F823 HydrophobicContact CB-CZ 4.03Å; F796-F823 HydrophobicContact CD1-CE2 4.22Å; F796-F823 HydrophobicContact CD1-CZ 4.04Å; F796-A832 HydrophobicContact CD1-CB 4.05Å; F796-A832 HydrophobicContact CE1-CB 4.35Å; F796-T836 HydrophobicContact CD1-CG2 4.49Å; F796-T836 HydrophobicContact CE1-CG2 3.96Å; F796-T836 HydrophobicContact CZ-CG2 4.15Å; F796-V848 HydrophobicContact CZ-CG2 4.32Å |
| 797 | K | 87.3 | Confident | 85.5 | Confident | 133 Ų | 133 | 67.1 Ų | 67.1 | 58% | 0.578 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -62.9 | -23 | -178.7 | 179.4 | 173.4 | -175 | 173 | 0 | 113.3 | E793 Y799 I802 | E793-K797 WeakPolarHBondContact O-CB 3.27Å; E793-K797 PolarHBondContact O-N 3.07Å; K797-Y799 PolarHBondContact O-N 3.36Å; K797-I802 HydrophobicContact CB-CD1 4.18Å |
| 798 | Q | 86.4 | Confident | 85.6 | Confident | 126 Ų | 126 | 67.5 Ų | 67.5 | 59% | 0.589 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -19.6 | 175.4 | 66.8 | -172.1 | -4.9 | 0 | 0 | 113.9 | L795 F796 | L795-Q798 WeakPolarHBondContact O-CG 3.43Å; L795-Q798 PolarHBondContact O-NE2 3.08Å; L795-Q798 VanDerWaalsContact O-NE2 3.13Å; F796-Q798 PolarHBondContact O-N 3.23Å |
| 799 | Y | 88.1 | Confident | 85.2 | Confident | 53 Ų | 53 | 62.9 Ų | 62.9 | 21% | 0.208 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -14.7 | -176.8 | -55.1 | -68.6 | 0 | 0 | 0 | 113.9 | L795 F796 K797 A832 A835 T836 | L795-Y799 WeakPolarHBondContact O-CE2 3.33Å; F796-Y799 PolarHBondContact O-N 2.77Å; K797-Y799 PolarHBondContact O-N 3.36Å; Y799-A832 HydrophobicContact CD2-CB 3.9Å; Y799-A832 HydrophobicContact CG-CB 3.91Å; Y799-A835 HydrophobicContact CD1-CB 4.09Å; Y799-A835 HydrophobicContact CE1-CB 3.33Å; Y799-T836 HydrophobicContact CD2-CG2 4.21Å; Y799-T836 HydrophobicContact CE2-CG2 3.35Å |
| 800 | G | 86.2 | Confident | 84.7 | Confident | 18 Ų | 18 | 64.4 Ų | 64.4 | 19% | 0.186 | 32% | 0.321 | C | S | . | . | S | Bend | trans | 167.5 | -179.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 801 | N | 86.4 | Confident | 83.4 | Confident | 115 Ų | 115 | 67.6 Ų | 67.6 | 62% | 0.615 | 33% | 0.327 | S | S | * | . | trans | -83.8 | 121 | -178.8 | -148.3 | 9.1 | 0 | 0 | 0 | 110.7 | T824 | N801-T824 PolarHBondContact O-N 3.38Å; N801-T824 PolarHBondContact O-OG1 3.27Å | ||
| 802 | I | 87.8 | Confident | 82.5 | Confident | 29 Ų | 29 | 68.5 Ų | 68.5 | 15% | 0.149 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 127.6 | -175 | -58.2 | 170.8 | 0 | 0 | 0 | 109.7 | E793 F796 K797 V805 I821 F823 | E793-I802 HydrophobicContact CG-CD1 4.22Å; F796-I802 HydrophobicContact CB-CD1 3.7Å; K797-I802 HydrophobicContact CB-CD1 4.18Å; I802-V805 HydrophobicContact CD1-CG2 4.46Å; I802-V805 HydrophobicContact CG2-CG2 3.64Å; I802-I821 HydrophobicContact CD1-CG2 4.48Å; I802-I821 HydrophobicContact CG1-CG2 4.46Å; I802-I821 HydrophobicContact CG2-CG2 4.06Å; I802-F823 HydrophobicContact CG1-CD1 4.27Å; I802-F823 HydrophobicContact CG1-CE1 3.87Å; I802-F823 HydrophobicContact CG1-CZ 4.3Å |
| 803 | V | 82.6 | Confident | 81.6 | Confident | 87 Ų | 87 | 69.6 Ų | 69.6 | 53% | 0.527 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | -41.1 | 175.4 | 176.3 | 0 | 0 | 0 | 0 | 110.9 | E822 T824 | V803-E822 HydrophobicContact CB-CB 4.46Å; V803-E822 HydrophobicContact CB-CG 4.28Å; V803-E822 PolarHBondContact N-O 3.44Å; V803-T824 WeakPolarHBondContact CG2-OG1 3.41Å |
| 804 | S | 82.4 | Confident | 81.1 | Confident | 55 Ų | 55 | 67.5 Ų | 67.5 | 39% | 0.385 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 136.5 | -178.9 | -167 | 0 | 0 | 0 | 0 | 112.5 | I821 E822 | S804-I821 WeakPolarHBondContact O-CA 3.45Å; S804-E822 PolarHBondContact N-O 3.09Å; S804-E822 PolarHBondContact O-N 3.47Å |
| 805 | V | 86.4 | Confident | 80.8 | Confident | 27 Ų | 27 | 61.6 Ų | 61.6 | 16% | 0.164 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 119.5 | 167.7 | -177.7 | 0 | 0 | 0 | 0 | 108.8 | L792 E793 I802 I821 | L792-V805 HydrophobicContact CB-CG1 3.87Å; L792-V805 HydrophobicContact CD1-CG1 4.07Å; E793-V805 HydrophobicContact CB-CG2 4.2Å; E793-V805 HydrophobicContact CG-CG2 4.45Å; I802-V805 HydrophobicContact CD1-CG2 4.46Å; I802-V805 HydrophobicContact CG2-CG2 3.64Å; V805-I821 HydrophobicContact CG1-CG1 4.46Å |
| 806 | R | 84.4 | Confident | 80.5 | Confident | 86 Ų | 86 | 64.9 Ų | 64.9 | 33% | 0.325 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 99.6 | 179.5 | -176.2 | -177.1 | 173.8 | -166.6 | -6.6 | 111.3 | Y768 A808 A819 Y820 | Y768-R806 PolarHBondContact OH-NH1 2.61Å; R806-A808 PolarHBondContact O-N 3.27Å; R806-A819 CarbonylContact O-C 3.48Å; R806-A819 VanDerWaalsContact O-CA 3.29Å; R806-A819 WeakPolarHBondContact O-CA 3.4Å; R806-Y820 PolarHBondContact N-O 2.78Å; R806-Y820 PolarHBondContact O-N 3.21Å |
| 807 | L | 85.2 | Confident | 80.2 | Confident | 25 Ų | 25 | 65.4 Ų | 65.4 | 13% | 0.131 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 122.7 | 167.8 | -171.6 | 65 | 0 | 0 | 0 | 110.5 | L783 V787 N789 L792 T809 P815 A819 | L783-L807 HydrophobicContact CD1-CD1 4.07Å; V787-L807 WeakPolarHBondContact O-CD2 3.38Å; N789-L807 WeakPolarHBondContact OD1-CB 3.42Å; L792-L807 HydrophobicContact CD1-CD1 4.19Å; L807-T809 PolarHBondContact O-N 2.92Å; L807-P815 HydrophobicContact CD1-CB 4.32Å; L807-P815 HydrophobicContact CD2-CB 3.85Å; L807-P815 HydrophobicContact CG-CB 4.04Å; L807-A819 HydrophobicContact CD1-CB 3.98Å |
| 808 | A | 83.4 | Confident | 80.4 | Confident | 12 Ų | 12 | 61.1 Ų | 61.1 | 10% | 0.099 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 118.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | R806 K816 H818 Y820 | R806-A808 PolarHBondContact O-N 3.27Å; A808-K816 HydrophobicContact CB-CB 4.42Å; A808-K816 HydrophobicContact CB-CD 4.34Å; A808-K816 WeakPolarHBondContact O-CB 3.45Å; A808-K816 WeakPolarHBondContact O-CG 3.32Å; A808-K816 PolarHBondContact O-N 3.45Å; A808-H818 WeakPolarHBondContact CB-CD2 3.19Å; A808-H818 WeakPolarHBondContact CB-NE2 3.43Å; A808-H818 WeakPolarHBondContact CB-O 3.42Å; A808-H818 PolarHBondContact N-O 3.11Å; A808-Y820 HydrophobicContact CB-CE2 4.49Å |
| 809 | T | 76.1 | Confident | 80.5 | Confident | 40 Ų | 40 | 55.1 Ų | 55.1 | 25% | 0.245 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 155.8 | 178.2 | 57.5 | 0 | 0 | 0 | 0 | 111.6 | L807 G813 V814 K816 | L807-T809 PolarHBondContact O-N 2.92Å; T809-G813 WeakPolarHBondContact CG2-O 3.45Å; T809-V814 CarbonylContact C-O 3.21Å; T809-V814 VanDerWaalsContact CA-O 3.29Å; T809-V814 WeakPolarHBondContact CA-O 3.3Å; T809-K816 WeakPolarHBondContact O-CE 3.36Å |
| 810 | Y | 70.2 | Confident | 80.7 | Confident | 109 Ų | 109 | 55.6 Ų | 55.6 | 43% | 0.427 | 28% | 0.284 | S | S | . | . | trans | -69 | 167.1 | 163.2 | -66.3 | -71.8 | 0 | 0 | 0 | 109.9 | N812 G813 V814 K816 | Y810-N812 WeakPolarHBondContact CB-OD1 3.34Å; Y810-N812 PolarHBondContact O-N 3.38Å; Y810-G813 PolarHBondContact O-N 2.98Å; Y810-V814 HydrophobicContact CD2-CB 4.21Å; Y810-V814 HydrophobicContact CD2-CG1 4.16Å; Y810-V814 VanDerWaalsContact CD2-O 3.28Å; Y810-V814 WeakPolarHBondContact CD2-O 3.42Å; Y810-V814 PolarHBondContact N-O 3.22Å; Y810-K816 HydrophobicContact CD1-CD 4.39Å; Y810-K816 HydrophobicContact CD1-CG 4Å; Y810-K816 HydrophobicContact CD2-CG 3.94Å; Y810-K816 HydrophobicContact CE1-CD 4.24Å; Y810-K816 HydrophobicContact CE1-CG 3.88Å; Y810-K816 HydrophobicContact CE2-CB 4.29Å; Y810-K816 HydrophobicContact CE2-CG 3.82Å; Y810-K816 HydrophobicContact CG-CG 4.02Å | ||
| 811 | R | 56.6 | Low | 80.9 | Confident | 205 Ų | 205 | 54.8 Ų | 54.8 | 77% | 0.774 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -18.5 | 178.6 | -71.9 | -174.3 | 178.7 | 171.3 | 0.3 | 114.9 | N657 | N657-R811 PolarHBondContact ND2-O 2.96Å; N657-R811 PolarHBondContact OD1-O 3.48Å; N657-R811 VanDerWaalsContact OD1-O 3.05Å |
| 812 | N | 66.7 | Low | 81.1 | Confident | 56 Ų | 56 | 52.6 Ų | 52.6 | 30% | 0.299 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 11.6 | 177.8 | 75 | -40.6 | 0 | 0 | 0 | 113.7 | K285 Y810 V814 | K285-N812 WeakPolarHBondContact CD-ND2 3.49Å; K285-N812 PolarHBondContact NZ-ND2 3.48Å; K285-N812 PolarHBondContact NZ-OD1 3.48Å; Y810-N812 WeakPolarHBondContact CB-OD1 3.34Å; Y810-N812 PolarHBondContact O-N 3.38Å; N812-V814 VanDerWaalsContact C-N 3.32Å; N812-V814 WeakPolarHBondContact ND2-CG2 3.33Å; N812-V814 PolarHBondContact O-N 2.87Å; N812-V814 PolarHBondContact OD1-N 3.15Å |
| 813 | G | 68.7 | Low | 81.2 | Confident | 24 Ų | 24 | 51.3 Ų | 51.3 | 25% | 0.247 | 26% | 0.255 | C | S | . | . | S | Bend | trans | 85.6 | -13.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | T809 Y810 | T809-G813 WeakPolarHBondContact CG2-O 3.45Å; Y810-G813 PolarHBondContact O-N 2.98Å |
| 814 | V | 75.6 | Confident | 81.4 | Confident | 48 Ų | 48 | 51 Ų | 51 | 29% | 0.291 | 25% | 0.253 | S | S | . | . | trans | -65.8 | 130.5 | 178 | 172.8 | 0 | 0 | 0 | 0 | 110.2 | K285 T809 Y810 N812 | K285-V814 HydrophobicContact CD-CG2 4.27Å; T809-V814 CarbonylContact C-O 3.21Å; T809-V814 VanDerWaalsContact CA-O 3.29Å; T809-V814 WeakPolarHBondContact CA-O 3.3Å; Y810-V814 HydrophobicContact CD2-CB 4.21Å; Y810-V814 HydrophobicContact CD2-CG1 4.16Å; Y810-V814 VanDerWaalsContact CD2-O 3.28Å; Y810-V814 WeakPolarHBondContact CD2-O 3.42Å; Y810-V814 PolarHBondContact N-O 3.22Å; N812-V814 VanDerWaalsContact C-N 3.32Å; N812-V814 WeakPolarHBondContact ND2-CG2 3.33Å; N812-V814 PolarHBondContact O-N 2.87Å; N812-V814 PolarHBondContact OD1-N 3.15Å | ||
| 815 | P | 79.2 | Confident | 81.6 | Confident | 20 Ų | 20 | 52.5 Ų | 52.5 | 13% | 0.13 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 139.7 | 179.5 | 24.8 | -32.4 | 0 | 0 | 0 | 112.2 | K785 L807 G817 | K785-P815 HydrophobicContact CB-CG 4.19Å; K785-P815 WeakPolarHBondContact O-CG 3.41Å; L807-P815 HydrophobicContact CD1-CB 4.32Å; L807-P815 HydrophobicContact CD2-CB 3.85Å; L807-P815 HydrophobicContact CG-CB 4.04Å; P815-G817 PolarHBondContact O-N 2.98Å |
| 816 | K | 80.4 | Confident | 81.6 | Confident | 94 Ų | 94 | 53.1 Ų | 53.1 | 41% | 0.409 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | -7.8 | 177.1 | -65.3 | -170.3 | 175.1 | -174 | 0 | 113.1 | A808 T809 Y810 H818 | A808-K816 HydrophobicContact CB-CB 4.42Å; A808-K816 HydrophobicContact CB-CD 4.34Å; A808-K816 WeakPolarHBondContact O-CB 3.45Å; A808-K816 WeakPolarHBondContact O-CG 3.32Å; A808-K816 PolarHBondContact O-N 3.45Å; T809-K816 WeakPolarHBondContact O-CE 3.36Å; Y810-K816 HydrophobicContact CD1-CD 4.39Å; Y810-K816 HydrophobicContact CD1-CG 4Å; Y810-K816 HydrophobicContact CD2-CG 3.94Å; Y810-K816 HydrophobicContact CE1-CD 4.24Å; Y810-K816 HydrophobicContact CE1-CG 3.88Å; Y810-K816 HydrophobicContact CE2-CB 4.29Å; Y810-K816 HydrophobicContact CE2-CG 3.82Å; Y810-K816 HydrophobicContact CG-CG 4.02Å; K816-H818 VanDerWaalsContact CB-CE1 3.5Å; K816-H818 WeakPolarHBondContact CB-CE1 3.1Å |
| 817 | G | 84.6 | Confident | 81.7 | Confident | 12 Ų | 12 | 54.4 Ų | 54.4 | 12% | 0.124 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 83.4 | 19.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | N782 L783 P815 | N782-G817 PolarHBondContact N-O 2.7Å; L783-G817 PolarHBondContact N-O 3.37Å; L783-G817 WeakPolarHBondContact O-CA 3.46Å; P815-G817 PolarHBondContact O-N 2.98Å |
| 818 | H | 90.2 | Very high | 82 | Confident | 43 Ų | 43 | 54.4 Ų | 54.4 | 20% | 0.199 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 153 | 168.7 | 57.5 | -93.9 | 0 | 0 | 0 | 111.7 | F779 V780 A808 K816 | F779-H818 HydrophobicContact CE2-CB 3.7Å; F779-H818 AromaticContact CE2-CD2 3.59Å; F779-H818 AromaticContact CE2-CG 3.8Å; F779-H818 HydrophobicContact CZ-CB 3.95Å; V780-H818 CarbonylContact O-C 3.39Å; V780-H818 WeakPolarHBondContact O-CA 3.39Å; V780-H818 WeakPolarHBondContact O-CB 3.37Å; A808-H818 WeakPolarHBondContact CB-CD2 3.19Å; A808-H818 WeakPolarHBondContact CB-NE2 3.43Å; A808-H818 WeakPolarHBondContact CB-O 3.42Å; A808-H818 PolarHBondContact N-O 3.11Å; K816-H818 VanDerWaalsContact CB-CE1 3.5Å; K816-H818 WeakPolarHBondContact CB-CE1 3.1Å |
| 819 | A | 89 | Confident | 82.2 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 159.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V780 L783 L792 R806 L807 | V780-A819 PolarHBondContact N-O 3.48Å; V780-A819 PolarHBondContact O-N 3.43Å; L783-A819 HydrophobicContact CD1-CB 3.51Å; L792-A819 HydrophobicContact CD1-CB 3.55Å; R806-A819 CarbonylContact O-C 3.48Å; R806-A819 VanDerWaalsContact O-CA 3.29Å; R806-A819 WeakPolarHBondContact O-CA 3.4Å; L807-A819 HydrophobicContact CD1-CB 3.98Å |
| 820 | Y | 91.7 | Very high | 82.7 | Confident | 63 Ų | 63 | 54.6 Ų | 54.6 | 25% | 0.247 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 130.8 | 171.1 | -57.2 | -94 | 0 | 0 | 0 | 108.7 | L778 F779 R806 A808 | L778-Y820 CarbonylContact O-C 3.58Å; L778-Y820 WeakPolarHBondContact O-CA 3.22Å; F779-Y820 HydrophobicContact CB-CD1 4.35Å; F779-Y820 HydrophobicContact CB-CE1 4.35Å; F779-Y820 AromaticContact CD2-CD1 3.81Å; F779-Y820 HydrophobicContact CD2-CD1 3.81Å; F779-Y820 AromaticContact CD2-CE1 3.35Å; F779-Y820 HydrophobicContact CD2-CE1 3.35Å; F779-Y820 HydrophobicContact CD2-CE2 4.26Å; F779-Y820 HydrophobicContact CD2-CG 4.43Å; F779-Y820 AromaticContact CD2-CZ 3.6Å; F779-Y820 AromaticContact CE2-CE1 3.95Å; F779-Y820 HydrophobicContact CE2-CE1 3.95Å; F779-Y820 HydrophobicContact CE2-CE2 4.28Å; F779-Y820 AromaticContact CE2-CZ 3.7Å; F779-Y820 HydrophobicContact CG-CE1 4.15Å; R806-Y820 PolarHBondContact N-O 2.78Å; R806-Y820 PolarHBondContact O-N 3.21Å; A808-Y820 HydrophobicContact CB-CE2 4.49Å |
| 821 | I | 91.8 | Very high | 83.4 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 119.2 | -177.8 | -56.9 | 178.9 | 0 | 0 | 0 | 107.8 | K777 L778 V780 L792 F796 I802 S804 V805 F823 | K777-I821 CarbonylContact C-O 3.6Å; K777-I821 WeakPolarHBondContact CA-O 3.22Å; L778-I821 PolarHBondContact N-O 3.3Å; L778-I821 PolarHBondContact O-N 2.8Å; V780-I821 HydrophobicContact CG2-CD1 3.91Å; V780-I821 HydrophobicContact CG2-CG1 4.39Å; L792-I821 HydrophobicContact CB-CD1 4.49Å; F796-I821 HydrophobicContact CB-CD1 4.2Å; F796-I821 HydrophobicContact CB-CG2 4.35Å; F796-I821 HydrophobicContact CD1-CD1 3.88Å; F796-I821 HydrophobicContact CD2-CD1 3.18Å; F796-I821 HydrophobicContact CE1-CD1 4.02Å; F796-I821 HydrophobicContact CE2-CD1 3.33Å; F796-I821 HydrophobicContact CG-CD1 3.47Å; F796-I821 VanDerWaalsContact CG-CD1 3.47Å; F796-I821 HydrophobicContact CG-CG2 4.45Å; F796-I821 HydrophobicContact CZ-CD1 3.76Å; I802-I821 HydrophobicContact CD1-CG2 4.48Å; I802-I821 HydrophobicContact CG1-CG2 4.46Å; I802-I821 HydrophobicContact CG2-CG2 4.06Å; S804-I821 WeakPolarHBondContact O-CA 3.45Å; V805-I821 HydrophobicContact CG1-CG1 4.46Å; I821-F823 HydrophobicContact CG2-CD2 4.3Å; I821-F823 HydrophobicContact CG2-CE2 3.83Å; I821-F823 HydrophobicContact CG2-CZ 4.32Å |
| 822 | E | 89.4 | Confident | 85 | Confident | 69 Ų | 69 | 45.4 Ų | 45.4 | 32% | 0.322 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 123.6 | -178.6 | -171.2 | 175.9 | 166.4 | 0 | 0 | 109.5 | K777 V803 S804 | K777-E822 HydrophobicContact CB-CB 4.49Å; K777-E822 HydrophobicContact CB-CG 4.49Å; K777-E822 HydrophobicContact CD-CB 4.31Å; K777-E822 HydrophobicContact CG-CB 4.31Å; V803-E822 HydrophobicContact CB-CB 4.46Å; V803-E822 HydrophobicContact CB-CG 4.28Å; V803-E822 PolarHBondContact N-O 3.44Å; S804-E822 PolarHBondContact N-O 3.09Å; S804-E822 PolarHBondContact O-N 3.47Å |
| 823 | F | 91.4 | Very high | 86 | Confident | 3 Ų | 3 | 44.6 Ų | 44.6 | 1% | 0.013 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 158.1 | 175.2 | -76 | -89.1 | 0 | 0 | 0 | 110.7 | E776 L778 F796 I802 I821 N825 D828 A829 A832 | E776-F823 PolarHBondContact O-N 3.43Å; L778-F823 HydrophobicContact CD1-CD2 4.42Å; L778-F823 HydrophobicContact CD1-CE2 3.84Å; L778-F823 HydrophobicContact CG-CE2 4.4Å; F796-F823 HydrophobicContact CB-CZ 4.03Å; F796-F823 HydrophobicContact CD1-CE2 4.22Å; F796-F823 HydrophobicContact CD1-CZ 4.04Å; I802-F823 HydrophobicContact CG1-CD1 4.27Å; I802-F823 HydrophobicContact CG1-CE1 3.87Å; I802-F823 HydrophobicContact CG1-CZ 4.3Å; I821-F823 HydrophobicContact CG2-CD2 4.3Å; I821-F823 HydrophobicContact CG2-CE2 3.83Å; I821-F823 HydrophobicContact CG2-CZ 4.32Å; F823-N825 VanDerWaalsContact C-N 3.26Å; F823-N825 PolarHBondContact O-N 2.85Å; F823-D828 HydrophobicContact CB-CB 4.42Å; F823-D828 HydrophobicContact CD1-CB 3.99Å; F823-D828 HydrophobicContact CG-CB 4.36Å; F823-A829 HydrophobicContact CB-CB 4.24Å; F823-A829 HydrophobicContact CD2-CB 3.77Å; F823-A829 HydrophobicContact CG-CB 4.27Å; F823-A832 HydrophobicContact CE2-CB 3.93Å; F823-A832 HydrophobicContact CZ-CB 3.77Å |
| 824 | T | 85.9 | Confident | 86.7 | Confident | 79 Ų | 79 | 49.1 Ų | 49.1 | 49% | 0.485 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -64.4 | -34 | 173.8 | -52.1 | 0 | 0 | 0 | 0 | 111.9 | N801 V803 | N801-T824 PolarHBondContact O-N 3.38Å; N801-T824 PolarHBondContact O-OG1 3.27Å; V803-T824 WeakPolarHBondContact CG2-OG1 3.41Å |
| 825 | N | 86.9 | Confident | 87 | Confident | 87 Ų | 87 | 49 Ų | 49 | 47% | 0.465 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -125.2 | 142.9 | -178.4 | -61.1 | -40.6 | 0 | 0 | 0 | 111 | F823 D827 D828 A829 | F823-N825 VanDerWaalsContact C-N 3.26Å; F823-N825 PolarHBondContact O-N 2.85Å; N825-D827 VanDerWaalsContact C-N 3.28Å; N825-D827 PolarHBondContact O-N 2.92Å; N825-D828 PolarHBondContact O-N 3.43Å; N825-A829 PolarHBondContact O-N 3.19Å |
| 826 | A | 86.9 | Confident | 87.4 | Confident | 40 Ų | 40 | 48 Ų | 48 | 33% | 0.331 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.5 | -32.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | P775 D828 A829 S830 | P775-A826 HydrophobicContact CB-CB 4.09Å; P775-A826 HydrophobicContact CG-CB 4.4Å; A826-D828 VanDerWaalsContact C-N 3.32Å; A826-D828 PolarHBondContact O-N 2.78Å; A826-A829 WeakPolarHBondContact O-CB 3.06Å; A826-A829 PolarHBondContact O-N 3.21Å; A826-S830 PolarHBondContact O-N 2.95Å |
| 827 | D | 86 | Confident | 87.7 | Confident | 114 Ų | 114 | 47.6 Ų | 47.6 | 61% | 0.61 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -63.7 | -38.9 | 178 | -65.5 | -32.2 | 0 | 0 | 0 | 111.8 | N825 S830 K831 | N825-D827 VanDerWaalsContact C-N 3.28Å; N825-D827 PolarHBondContact O-N 2.92Å; D827-S830 PolarHBondContact O-N 3.39Å; D827-S830 PolarHBondContact O-OG 3.1Å; D827-K831 WeakPolarHBondContact O-CG 3.5Å; D827-K831 PolarHBondContact O-N 3.39Å |
| 828 | D | 90.3 | Very high | 87.5 | Confident | 25 Ų | 25 | 49.2 Ų | 49.2 | 13% | 0.134 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70.5 | -37.1 | 178.9 | -64.7 | -23.4 | 0 | 0 | 0 | 111.3 | F823 N825 A826 S830 K831 A832 | F823-D828 HydrophobicContact CB-CB 4.42Å; F823-D828 HydrophobicContact CD1-CB 3.99Å; F823-D828 HydrophobicContact CG-CB 4.36Å; N825-D828 PolarHBondContact O-N 3.43Å; A826-D828 VanDerWaalsContact C-N 3.32Å; A826-D828 PolarHBondContact O-N 2.78Å; D828-S830 VanDerWaalsContact C-N 3.34Å; D828-S830 PolarHBondContact O-N 2.89Å; D828-K831 PolarHBondContact O-N 3.43Å; D828-K831 IonicContact OD1-NZ 3.26Å; D828-K831 PolarHBondContact OD1-NZ 3.19Å; D828-A832 WeakPolarHBondContact O-CB 3.36Å; D828-A832 PolarHBondContact O-N 2.8Å |
| 829 | A | 88.2 | Confident | 87.2 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | P775 L778 F823 N825 A826 A832 L833 | P775-A829 WeakPolarHBondContact O-CB 3.37Å; L778-A829 HydrophobicContact CD1-CB 4.47Å; L778-A829 WeakPolarHBondContact CD1-O 3.32Å; L778-A829 HydrophobicContact CD2-CB 4.02Å; L778-A829 HydrophobicContact CG-CB 4.05Å; F823-A829 HydrophobicContact CB-CB 4.24Å; F823-A829 HydrophobicContact CD2-CB 3.77Å; F823-A829 HydrophobicContact CG-CB 4.27Å; N825-A829 PolarHBondContact O-N 3.19Å; A826-A829 WeakPolarHBondContact O-CB 3.06Å; A826-A829 PolarHBondContact O-N 3.21Å; A829-A832 PolarHBondContact O-N 2.92Å; A829-L833 WeakPolarHBondContact O-CB 3.38Å; A829-L833 PolarHBondContact O-N 2.83Å |
| 830 | S | 86.6 | Confident | 86.8 | Confident | 56 Ų | 56 | 56.3 Ų | 56.3 | 39% | 0.392 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.9 | -41.3 | 178.3 | 75.8 | 0 | 0 | 0 | 0 | 112.8 | A826 D827 D828 L833 V834 | A826-S830 PolarHBondContact O-N 2.95Å; D827-S830 PolarHBondContact O-N 3.39Å; D827-S830 PolarHBondContact O-OG 3.1Å; D828-S830 VanDerWaalsContact C-N 3.34Å; D828-S830 PolarHBondContact O-N 2.89Å; S830-L833 PolarHBondContact O-N 3.37Å; S830-V834 WeakPolarHBondContact O-CG2 3.23Å; S830-V834 PolarHBondContact O-N 3.48Å; S830-V834 VanDerWaalsContact O-N 3.13Å |
| 831 | K | 86.3 | Confident | 86.4 | Confident | 120 Ų | 120 | 55.1 Ų | 55.1 | 52% | 0.522 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61 | -46.5 | 173.3 | -70 | 171.4 | -163.9 | 156.1 | 0 | 111.2 | D827 D828 L833 V834 A835 | D827-K831 WeakPolarHBondContact O-CG 3.5Å; D827-K831 PolarHBondContact O-N 3.39Å; D828-K831 PolarHBondContact O-N 3.43Å; D828-K831 IonicContact OD1-NZ 3.26Å; D828-K831 PolarHBondContact OD1-NZ 3.19Å; K831-L833 VanDerWaalsContact C-N 3.33Å; K831-L833 PolarHBondContact O-N 2.66Å; K831-V834 PolarHBondContact O-N 2.89Å; K831-A835 WeakPolarHBondContact O-CB 3.39Å; K831-A835 PolarHBondContact O-N 3.19Å; K831-A835 VanDerWaalsContact O-N 3.12Å |
| 832 | A | 88.6 | Confident | 85.7 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.9 | -41.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L778 F796 Y799 F823 D828 A829 A835 T836 | L778-A832 HydrophobicContact CD1-CB 3.82Å; F796-A832 HydrophobicContact CD1-CB 4.05Å; F796-A832 HydrophobicContact CE1-CB 4.35Å; Y799-A832 HydrophobicContact CD2-CB 3.9Å; Y799-A832 HydrophobicContact CG-CB 3.91Å; F823-A832 HydrophobicContact CE2-CB 3.93Å; F823-A832 HydrophobicContact CZ-CB 3.77Å; D828-A832 WeakPolarHBondContact O-CB 3.36Å; D828-A832 PolarHBondContact O-N 2.8Å; A829-A832 PolarHBondContact O-N 2.92Å; A832-A835 PolarHBondContact O-N 3.29Å; A832-T836 WeakPolarHBondContact O-CB 3.44Å; A832-T836 WeakPolarHBondContact O-CG2 3.29Å; A832-T836 PolarHBondContact O-N 3.47Å; A832-T836 PolarHBondContact O-OG1 3.26Å |
| 833 | L | 88.9 | Confident | 85.3 | Confident | 39 Ų | 39 | 64 Ų | 64 | 20% | 0.204 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.9 | -46.7 | 178.3 | 178.4 | 141.2 | 0 | 0 | 0 | 112.2 | L778 A829 S830 K831 A835 N837 V848 I850 | L778-L833 HydrophobicContact CD1-CB 4.43Å; L778-L833 HydrophobicContact CD2-CB 4.02Å; L778-L833 HydrophobicContact CD2-CD1 3.94Å; A829-L833 WeakPolarHBondContact O-CB 3.38Å; A829-L833 PolarHBondContact O-N 2.83Å; S830-L833 PolarHBondContact O-N 3.37Å; K831-L833 VanDerWaalsContact C-N 3.33Å; K831-L833 PolarHBondContact O-N 2.66Å; L833-A835 VanDerWaalsContact C-N 3.32Å; L833-A835 PolarHBondContact O-N 2.76Å; L833-N837 WeakPolarHBondContact O-CB 3.32Å; L833-N837 PolarHBondContact O-N 3.31Å; L833-N837 VanDerWaalsContact O-N 3.1Å; L833-V848 HydrophobicContact CB-CG1 4.45Å; L833-V848 HydrophobicContact CG-CG1 4.48Å; L833-I850 HydrophobicContact CD1-CG1 3.77Å |
| 834 | V | 83.4 | Confident | 84.9 | Confident | 119 Ų | 119 | 66.8 Ų | 66.8 | 72% | 0.721 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -64.5 | -38.5 | 178.5 | 175 | 0 | 0 | 0 | 0 | 111.3 | S830 K831 | S830-V834 WeakPolarHBondContact O-CG2 3.23Å; S830-V834 PolarHBondContact O-N 3.48Å; S830-V834 VanDerWaalsContact O-N 3.13Å; K831-V834 PolarHBondContact O-N 2.89Å |
| 835 | A | 82.3 | Confident | 84.8 | Confident | 45 Ų | 45 | 68.1 Ų | 68.1 | 37% | 0.372 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -79.3 | -28.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y799 K831 A832 L833 | Y799-A835 HydrophobicContact CD1-CB 4.09Å; Y799-A835 HydrophobicContact CE1-CB 3.33Å; K831-A835 WeakPolarHBondContact O-CB 3.39Å; K831-A835 PolarHBondContact O-N 3.19Å; K831-A835 VanDerWaalsContact O-N 3.12Å; A832-A835 PolarHBondContact O-N 3.29Å; L833-A835 VanDerWaalsContact C-N 3.32Å; L833-A835 PolarHBondContact O-N 2.76Å |
| 836 | T | 86 | Confident | 84.9 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -107.4 | -17.4 | -171.2 | 59.7 | 0 | 0 | 0 | 0 | 114.4 | F796 Y799 A832 G838 L839 V848 | F796-T836 HydrophobicContact CD1-CG2 4.49Å; F796-T836 HydrophobicContact CE1-CG2 3.96Å; F796-T836 HydrophobicContact CZ-CG2 4.15Å; Y799-T836 HydrophobicContact CD2-CG2 4.21Å; Y799-T836 HydrophobicContact CE2-CG2 3.35Å; A832-T836 WeakPolarHBondContact O-CB 3.44Å; A832-T836 WeakPolarHBondContact O-CG2 3.29Å; A832-T836 PolarHBondContact O-N 3.47Å; A832-T836 PolarHBondContact O-OG1 3.26Å; T836-G838 PolarHBondContact O-N 3.23Å; T836-L839 WeakPolarHBondContact O-CB 3.32Å; T836-L839 PolarHBondContact O-N 3.05Å; T836-L839 VanDerWaalsContact O-N 3.12Å; T836-V848 WeakPolarHBondContact OG1-CG2 3.47Å |
| 837 | N | 86.5 | Confident | 84.9 | Confident | 85 Ų | 85 | 64.7 Ų | 64.7 | 46% | 0.455 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | 115.3 | 175.8 | -170 | 36.6 | 0 | 0 | 0 | 110.2 | L833 S847 V848 | L833-N837 WeakPolarHBondContact O-CB 3.32Å; L833-N837 PolarHBondContact O-N 3.31Å; L833-N837 VanDerWaalsContact O-N 3.1Å; N837-S847 WeakPolarHBondContact OD1-CA 3.5Å; N837-V848 HydrophobicContact CB-CB 4.1Å; N837-V848 PolarHBondContact OD1-N 3.39Å; N837-V848 PolarHBondContact OD1-O 3.16Å |
| 838 | G | 80.6 | Confident | 85 | Confident | 47 Ų | 47 | 59.4 Ų | 59.4 | 49% | 0.485 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.3 | 0.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | T836 L846 | T836-G838 PolarHBondContact O-N 3.23Å; G838-L846 WeakPolarHBondContact CA-O 3.47Å; G838-L846 PolarHBondContact N-O 3.28Å |
| 839 | L | 84 | Confident | 84.9 | Confident | 57 Ų | 57 | 60.2 Ų | 60.2 | 30% | 0.298 | 33% | 0.331 | S | S | . | . | trans | -74.4 | 133.1 | 179.3 | -172.6 | 138.9 | 0 | 0 | 0 | 111 | T836 F841 L846 | T836-L839 WeakPolarHBondContact O-CB 3.32Å; T836-L839 PolarHBondContact O-N 3.05Å; T836-L839 VanDerWaalsContact O-N 3.12Å; L839-F841 HydrophobicContact CD2-CB 4.16Å; L839-F841 PolarHBondContact O-N 3.36Å; L839-L846 PolarHBondContact O-N 3.08Å | ||
| 840 | E | 81.5 | Confident | 84.9 | Confident | 135 Ų | 135 | 63.8 Ų | 63.8 | 63% | 0.631 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81 | 113.4 | 175.5 | -170.3 | 178 | -176.7 | 0 | 0 | 110.6 | K844 | E840-K844 CarbonylContact C-O 3.52Å; E840-K844 WeakPolarHBondContact CA-O 3.44Å |
| 841 | F | 82.6 | Confident | 84.8 | Confident | 38 Ų | 38 | 61.2 Ų | 61.2 | 17% | 0.167 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 116.9 | 178.1 | -172.9 | -105.7 | 0 | 0 | 0 | 110 | V787 D791 L795 L839 N843 K844 L846 | V787-F841 HydrophobicContact CG1-CE1 4.01Å; V787-F841 HydrophobicContact CG2-CD1 4.09Å; V787-F841 HydrophobicContact CG2-CE1 3.66Å; D791-F841 HydrophobicContact CB-CZ 4.27Å; L795-F841 HydrophobicContact CD1-CD2 4.37Å; L795-F841 HydrophobicContact CD1-CE2 4.45Å; L795-F841 HydrophobicContact CD2-CD2 4.07Å; L795-F841 HydrophobicContact CD2-CE2 4.28Å; L795-F841 HydrophobicContact CD2-CG 4.29Å; L839-F841 HydrophobicContact CD2-CB 4.16Å; L839-F841 PolarHBondContact O-N 3.36Å; F841-N843 PolarHBondContact O-N 2.96Å; F841-K844 PolarHBondContact N-O 2.98Å; F841-K844 PolarHBondContact O-N 3.41Å; F841-L846 HydrophobicContact CB-CD1 3.75Å; F841-L846 HydrophobicContact CB-CD2 4.2Å; F841-L846 HydrophobicContact CB-CG 3.9Å; F841-L846 HydrophobicContact CG-CD1 4.36Å |
| 842 | R | 78.2 | Confident | 84.5 | Confident | 106 Ų | 106 | 60.7 Ų | 60.7 | 40% | 0.4 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 54.7 | -175.4 | -61.3 | -169 | 180 | 164.2 | 8.9 | 113.1 | T786 D791 K844 | T786-R842 PolarHBondContact O-NH1 3.28Å; T786-R842 VanDerWaalsContact O-NH1 3.07Å; T786-R842 PolarHBondContact OG1-NH1 2.84Å; T786-R842 VanDerWaalsContact OG1-NH1 3.14Å; D791-R842 IonicContact OD1-NH2 3.72Å; D791-R842 PolarHBondContact OD1-NH2 2.92Å; D791-R842 VanDerWaalsContact OD1-NH2 3.08Å; D791-R842 IonicContact OD2-CZ 3.86Å; D791-R842 IonicContact OD2-NH1 3.35Å; D791-R842 IonicContact OD2-NH2 3.7Å; D791-R842 PolarHBondContact OD2-NH2 3.18Å; R842-K844 VanDerWaalsContact C-N 3.25Å; R842-K844 PolarHBondContact O-N 3.49Å |
| 843 | N | 81.2 | Confident | 83.8 | Confident | 148 Ų | 148 | 61.2 Ų | 61.2 | 79% | 0.791 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | 24.9 | 179.8 | -59.5 | 6 | 0 | 0 | 0 | 114.8 | F841 | F841-N843 PolarHBondContact O-N 2.96Š|
| 844 | K | 82.1 | Confident | 82.8 | Confident | 63 Ų | 63 | 63.9 Ų | 63.9 | 27% | 0.274 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 136.4 | 172.5 | -66.9 | -166.9 | -178.1 | -175.4 | 0 | 111.2 | N782 D784 E840 F841 R842 L846 | N782-K844 WeakPolarHBondContact O-CD 3.35Å; D784-K844 HydrophobicContact CB-CD 4.09Å; D784-K844 IonicContact OD1-NZ 2.87Å; E840-K844 CarbonylContact C-O 3.52Å; E840-K844 WeakPolarHBondContact CA-O 3.44Å; F841-K844 PolarHBondContact N-O 2.98Å; F841-K844 PolarHBondContact O-N 3.41Å; R842-K844 VanDerWaalsContact C-N 3.25Å; R842-K844 PolarHBondContact O-N 3.49Å; K844-L846 PolarHBondContact O-N 3.23Å |
| 845 | I | 84.5 | Confident | 81.6 | Confident | 106 Ų | 106 | 62.1 Ų | 62.1 | 54% | 0.544 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 114.6 | 175.1 | -59.2 | 174.2 | 0 | 0 | 0 | 108.4 | N782 | N782-I845 WeakPolarHBondContact CB-O 3.42Å; N782-I845 PolarHBondContact ND2-O 2.91Å |
| 846 | L | 87.7 | Confident | 79.8 | Confident | 1 Ų | 1 | 69.3 Ų | 69.3 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | trans | -72.7 | 137.4 | 178.5 | -57.9 | -173.8 | 0 | 0 | 0 | 110.4 | L783 L795 G838 L839 F841 K844 V848 | L783-L846 HydrophobicContact CD2-CD1 4.42Å; L783-L846 HydrophobicContact CD2-CD2 3.6Å; L783-L846 HydrophobicContact CG-CD2 4.39Å; L795-L846 HydrophobicContact CD2-CD1 3.92Å; G838-L846 WeakPolarHBondContact CA-O 3.47Å; G838-L846 PolarHBondContact N-O 3.28Å; L839-L846 PolarHBondContact O-N 3.08Å; F841-L846 HydrophobicContact CB-CD1 3.75Å; F841-L846 HydrophobicContact CB-CD2 4.2Å; F841-L846 HydrophobicContact CB-CG 3.9Å; F841-L846 HydrophobicContact CG-CD1 4.36Å; K844-L846 PolarHBondContact O-N 3.23Å; L846-V848 HydrophobicContact CB-CG2 4.43Å | ||
| 847 | S | 86.8 | Confident | 77.9 | Confident | 54 Ų | 54 | 72.9 Ų | 72.9 | 38% | 0.378 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 115.4 | 170.1 | 171.4 | 0 | 0 | 0 | 0 | 108.7 | V780 R781 N837 | V780-S847 CarbonylContact C-O 3.41Å; R781-S847 PolarHBondContact N-O 3.28Å; R781-S847 PolarHBondContact O-N 3.22Å; R781-S847 VanDerWaalsContact O-N 3.1Å; N837-S847 WeakPolarHBondContact OD1-CA 3.5Å |
| 848 | V | 88.8 | Confident | 75.3 | Confident | 4 Ų | 4 | 77.2 Ų | 77.2 | 2% | 0.024 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 127.9 | -174.5 | -174.7 | 0 | 0 | 0 | 0 | 109.3 | L778 V780 F796 L833 T836 N837 L846 | L778-V848 HydrophobicContact CB-CG1 4.18Å; L778-V848 HydrophobicContact CD1-CG1 3.95Å; L778-V848 HydrophobicContact CG-CG1 4.47Å; V780-V848 HydrophobicContact CB-CG2 4.47Å; V780-V848 HydrophobicContact CG1-CG2 4.09Å; V780-V848 HydrophobicContact CG2-CG1 4.21Å; V780-V848 HydrophobicContact CG2-CG2 4.11Å; F796-V848 HydrophobicContact CZ-CG2 4.32Å; L833-V848 HydrophobicContact CB-CG1 4.45Å; L833-V848 HydrophobicContact CG-CG1 4.48Å; T836-V848 WeakPolarHBondContact OG1-CG2 3.47Å; N837-V848 HydrophobicContact CB-CB 4.1Å; N837-V848 PolarHBondContact OD1-N 3.39Å; N837-V848 PolarHBondContact OD1-O 3.16Å; L846-V848 HydrophobicContact CB-CG2 4.43Å |
| 849 | S | 89.2 | Confident | 73 | Confident | 42 Ų | 42 | 80.2 Ų | 80.2 | 29% | 0.294 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 161.7 | -176.7 | 53 | 0 | 0 | 0 | 0 | 110.3 | L778 F779 | L778-S849 CarbonylContact C-O 3.59Å; L778-S849 WeakPolarHBondContact CA-O 3.41Å; F779-S849 PolarHBondContact N-O 3.04Å; F779-S849 PolarHBondContact O-N 3.47Å; F779-S849 PolarHBondContact O-OG 3.33Å |
| 850 | I | 87.7 | Confident | 70.4 | Confident | 74 Ų | 74 | 80.6 Ų | 80.6 | 38% | 0.379 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 138 | 171.8 | -60.3 | 176.4 | 0 | 0 | 0 | 108.6 | K773 E774 L833 E852 | K773-I850 HydrophobicContact CB-CG2 4.49Å; E774-I850 WeakPolarHBondContact O-CG2 3.45Å; L833-I850 HydrophobicContact CD1-CG1 3.77Å; I850-E852 PolarHBondContact O-N 3.4Å |
| 851 | S | 84.1 | Confident | 67.8 | Low | 2 Ų | 2 | 78.6 Ų | 78.6 | 1% | 0.014 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 115 | 179.8 | 178.6 | 0 | 0 | 0 | 0 | 110.2 | E774 K777 | E774-S851 PolarHBondContact N-O 2.91Å; E774-S851 PolarHBondContact OE2-OG 3.45Å; K777-S851 WeakPolarHBondContact O-CB 3.33Å; K777-S851 PolarHBondContact O-N 2.81Å |
| 852 | E | 79.8 | Confident | 64.9 | Low | 109 Ų | 109 | 83.5 Ų | 83.5 | 51% | 0.509 | 47% | 0.468 | S | S | . | . | trans | -122.4 | 93.5 | 172.5 | -170.9 | 160.4 | -149.1 | 0 | 0 | 108.5 | K773 I850 | K773-E852 WeakPolarHBondContact CE-OE1 3.45Å; K773-E852 WeakPolarHBondContact CE-OE2 3.32Å; K773-E852 HydrophobicContact CG-CB 4.26Å; K773-E852 HydrophobicContact CG-CG 4.01Å; K773-E852 WeakPolarHBondContact CG-OE1 3.46Å; I850-E852 PolarHBondContact O-N 3.4Å | ||
| 853 | P | 74.9 | Confident | 62.3 | Low | 11 Ų | 11 | 81.8 Ų | 81.8 | 7% | 0.071 | 48% | 0.483 | C | S | . | . | P | Polyproline II helix | trans | -64 | 125.2 | 177.9 | -18 | 30.3 | 0 | 0 | 0 | 109.9 | F766 G771 K772 | F766-P853 HydrophobicContact CE1-CB 3.66Å; F766-P853 HydrophobicContact CZ-CB 3.89Å; G771-P853 PolarHBondContact N-O 3.3Å; K772-P853 WeakPolarHBondContact O-CD 3.45Å |
| 854 | P | 66.9 | Low | 59.6 | Low | 96 Ų | 96 | 80.5 Ų | 80.5 | 62% | 0.623 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 139.1 | -173.5 | 23 | -32.9 | 0 | 0 | 0 | 112 | V770 R856 | V770-P854 WeakPolarHBondContact CB-O 3.4Å; V770-P854 WeakPolarHBondContact CG1-O 3.33Å; P854-R856 PolarHBondContact O-N 3.16Å |
| 855 | V | 58.5 | Low | 57 | Low | 81 Ų | 81 | 86.1 Ų | 86.1 | 49% | 0.491 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 123.4 | 170.8 | -175.2 | 0 | 0 | 0 | 0 | 108.1 | G857 E858 | V855-G857 VanDerWaalsContact C-N 3.34Å; V855-G857 PolarHBondContact O-N 3.18Å; V855-E858 PolarHBondContact O-N 3.22Å |
| 856 | R | 44.3 | Very low | 54.1 | Low | 197 Ų | 197 | 86.5 Ų | 86.5 | 74% | 0.743 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | 99.1 | 170.6 | -101.1 | -173.2 | 175.3 | -173.2 | -2.6 | 108.1 | P854 | P854-R856 PolarHBondContact O-N 3.16Š|
| 857 | G | 45.5 | Very low | 51.1 | Low | 74 Ų | 74 | 94.5 Ų | 94.5 | 76% | 0.763 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 160.3 | -27.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113.7 | V855 | V855-G857 VanDerWaalsContact C-N 3.34Å; V855-G857 PolarHBondContact O-N 3.18Å |
| 858 | E | 32.6 | Very low | 48 | Very low | 176 Ų | 176 | 97.8 Ų | 97.8 | 82% | 0.822 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -128.6 | 77.7 | -174.5 | -68.4 | -178.4 | -178.8 | 0 | 0 | 111.7 | V855 | V855-E858 PolarHBondContact O-N 3.22Š|
| 859 | S | 32.1 | Very low | 44.8 | Very low | 111 Ų | 111 | 103 Ų | 103 | 78% | 0.776 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -177.1 | 96.9 | 146.4 | 60.2 | 0 | 0 | 0 | 0 | 108.8 | ||
| 860 | G | 28.9 | Very low | 41.6 | Very low | 64 Ų | 64 | 107.2 Ų | 107.2 | 66% | 0.66 | 64% | 0.642 | S | S | * | * | S | Bend | trans | 81.2 | 137.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q862 | G860-Q862 PolarHBondContact O-N 3.23Š|
| 861 | P | 27.7 | Very low | 38.5 | Very low | 93 Ų | 93 | 112 Ų | 112 | 60% | 0.604 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -84.8 | 77.6 | -160 | 35.7 | -35.1 | 0 | 0 | 0 | 112.1 | ||
| 862 | Q | 22.6 | Very low | 35.5 | Very low | 142 Ų | 142 | 119 Ų | 119 | 66% | 0.664 | 70% | 0.7 | S | S | * | * | trans | -146.5 | 99.4 | 159.5 | -80.5 | -171.5 | -8.3 | 0 | 0 | 110.3 | E339 G860 | E339-Q862 PolarHBondContact OE1-NE2 3.1Å; E339-Q862 PolarHBondContact OE2-NE2 3Å; E339-Q862 PolarHBondContact OE2-OE1 3.35Å; G860-Q862 PolarHBondContact O-N 3.23Å | ||
| 863 | G | 23.2 | Very low | 32.9 | Very low | 69 Ų | 69 | 124.1 Ų | 124.1 | 71% | 0.711 | 72% | 0.721 | S | S | * | * | trans | 171.7 | 81.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 864 | S | 24.9 | Very low | 30.3 | Very low | 121 Ų | 121 | 132.8 Ų | 132.8 | 85% | 0.846 | 76% | 0.757 | S | S | * | * | trans | 13.4 | 111.6 | 136.2 | 57.6 | 0 | 0 | 0 | 0 | 117.7 | S866 | S864-S866 PolarHBondContact O-N 3.31Š| ||
| 865 | K | 26.1 | Very low | 28.2 | Very low | 182 Ų | 182 | 133.7 Ų | 133.7 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | trans | -47.4 | 116.2 | 169 | -63.7 | 178.1 | 176.4 | -177.9 | 0 | 112.4 | ||||
| 866 | S | 23 | Very low | 26.5 | Very low | 114 Ų | 114 | 139.6 Ų | 139.6 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | -96.4 | 115.5 | 157.4 | 55 | 0 | 0 | 0 | 0 | 108.6 | S864 | S864-S866 PolarHBondContact O-N 3.31Š| ||
| 867 | I | 26.1 | Very low | 25.3 | Very low | 168 Ų | 168 | 138.8 Ų | 138.8 | 86% | 0.862 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 124.2 | 175.6 | -68.9 | 166.6 | 0 | 0 | 0 | 108.5 | ||
| 868 | T | 21.9 | Very low | 24.2 | Very low | 124 Ų | 124 | 141.4 Ų | 141.4 | 76% | 0.761 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 142.7 | 168.9 | 31.7 | 0 | 0 | 0 | 0 | 111 | ||
| 869 | S | 20.5 | Very low | 24.2 | Very low | 112 Ų | 112 | 137.5 Ų | 137.5 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 136.7 | 172.4 | 47.1 | 0 | 0 | 0 | 0 | 113.7 | ||
| 870 | T | 23 | Very low | 23.7 | Very low | 131 Ų | 131 | 140.2 Ų | 140.2 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -150.6 | 118.6 | 142.1 | 16.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 871 | E | 21.6 | Very low | 23.4 | Very low | 174 Ų | 174 | 143.1 Ų | 143.1 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | trans | 62.5 | 106.7 | 147.9 | -61.8 | -177.2 | 171.5 | 0 | 0 | 122.4 | ||||
| 872 | D | 21 | Very low | 23.1 | Very low | 150 Ų | 150 | 145.8 Ų | 145.8 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | 43.3 | 107.7 | 125.5 | -70.8 | -25.5 | 0 | 0 | 0 | 120.1 | |||||
| 873 | K | 25.9 | Very low | 23 | Very low | 217 Ų | 217 | 141.8 Ų | 141.8 | 94% | 0.943 | 78% | 0.778 | S | S | * | * | -155.2 | 130.7 | 122.2 | -107.2 | 161.9 | -168.3 | 175.4 | 0 | 112.9 | |||||
| 874 | K | 21 | Very low | 23 | Very low | 193 Ų | 193 | 146.3 Ų | 146.3 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | trans | -66.7 | 148.5 | -176.8 | -94.1 | 171.6 | 179.9 | 172.1 | 0 | 114 | ||||
| 875 | V | 21.4 | Very low | 22.9 | Very low | 115 Ų | 115 | 145.4 Ų | 145.4 | 70% | 0.697 | 78% | 0.779 | S | S | * | * | trans | 83 | 102.3 | 138.5 | 177.2 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 876 | F | 23 | Very low | 22.8 | Very low | 204 Ų | 204 | 141.6 Ų | 141.6 | 90% | 0.895 | 78% | 0.776 | S | S | * | * | -165.7 | 142.8 | 101.1 | -116.1 | -84.8 | 0 | 0 | 0 | 111.2 | |||||
| 877 | K | 19.7 | Very low | 22.9 | Very low | 180 Ų | 180 | 141.6 Ų | 141.6 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | trans | -108 | 156.1 | -174.9 | -99.1 | -177.5 | 179.2 | -179.7 | 0 | 110.2 | ||||
| 878 | T | 22 | Very low | 22.9 | Very low | 129 Ų | 129 | 141.8 Ų | 141.8 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | trans | 79.3 | 161.3 | 147.4 | 58.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 879 | P | 32.6 | Very low | 23 | Very low | 95 Ų | 95 | 137.8 Ų | 137.8 | 62% | 0.617 | 75% | 0.749 | S | S | * | * | -142.4 | 172.5 | -51.7 | 41.2 | -24.6 | 0 | 0 | 0 | 114.4 | |||||
| 880 | Q | 21.9 | Very low | 23.2 | Very low | 167 Ų | 167 | 139.3 Ų | 139.3 | 78% | 0.78 | 75% | 0.753 | S | S | * | * | trans | 60.1 | 123.6 | 138.6 | -82 | 174.7 | -16.3 | 0 | 0 | 122.8 | ||||
| 881 | N | 21.9 | Very low | 23.3 | Very low | 125 Ų | 125 | 135.9 Ų | 135.9 | 67% | 0.668 | 75% | 0.745 | S | S | * | * | 149.8 | 118.6 | 111 | -90.1 | -13.2 | 0 | 0 | 0 | 113.2 | |||||
| 882 | I | 21.7 | Very low | 23.5 | Very low | 149 Ų | 149 | 134.6 Ų | 134.6 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | 93.3 | 129.7 | 95.9 | -69.7 | 170.5 | 0 | 0 | 0 | 113.6 | |||||
| 883 | G | 21.4 | Very low | 23.6 | Very low | 58 Ų | 58 | 132.6 Ų | 132.6 | 60% | 0.598 | 75% | 0.747 | S | S | * | * | trans | 133.7 | 90.7 | 153.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 884 | L | 22.9 | Very low | 23.7 | Very low | 165 Ų | 165 | 128 Ų | 128 | 86% | 0.864 | 74% | 0.736 | S | S | * | * | 54.6 | 129.8 | 109.8 | -76.7 | 94.7 | 0 | 0 | 0 | 114.8 | |||||
| 885 | S | 23.2 | Very low | 23.8 | Very low | 102 Ų | 102 | 129.5 Ų | 129.5 | 71% | 0.713 | 74% | 0.737 | S | S | * | * | cis | 179.4 | 144.6 | 21.9 | 41.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 886 | S | 22.9 | Very low | 24.1 | Very low | 102 Ų | 102 | 132.9 Ų | 132.9 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | trans | 57.5 | 108.6 | 136.6 | 173.2 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 887 | S | 25 | Very low | 24.2 | Very low | 113 Ų | 113 | 129.2 Ų | 129.2 | 79% | 0.79 | 74% | 0.741 | S | S | * | * | 163.6 | 158.7 | 99.2 | 52.1 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 888 | H | 25.8 | Very low | 24.7 | Very low | 173 Ų | 173 | 131.5 Ų | 131.5 | 80% | 0.801 | 75% | 0.745 | S | S | * | * | trans | -77.4 | 147.1 | -154.2 | -68.3 | -98.3 | 0 | 0 | 0 | 121 | ||||
| 889 | S | 25.2 | Very low | 25.1 | Very low | 39 Ų | 39 | 131.9 Ų | 131.9 | 27% | 0.273 | 75% | 0.747 | S | S | . | * | 179.3 | 117.5 | 115.4 | 47.8 | 0 | 0 | 0 | 0 | 111.2 | F903 | S889-F903 VanDerWaalsContact O-CB 3.31Å; S889-F903 WeakPolarHBondContact O-CB 3.48Å; S889-F903 WeakPolarHBondContact O-CD2 3.29Å; S889-F903 WeakPolarHBondContact O-CG 3.5Å; S889-F903 WeakPolarHBondContact OG-CB 3.41Å; S889-F903 PolarHBondContact OG-O 2.87Å | |||
| 890 | V | 24.8 | Very low | 24.9 | Very low | 144 Ų | 144 | 136 Ų | 136 | 87% | 0.873 | 76% | 0.759 | S | S | * | * | 53.3 | 102.4 | 99.8 | -167.6 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 891 | G | 24 | Very low | 25.3 | Very low | 60 Ų | 60 | 136.2 Ų | 136.2 | 62% | 0.619 | 76% | 0.764 | S | S | * | * | trans | 175.5 | 144.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 892 | T | 26.2 | Very low | 26 | Very low | 147 Ų | 147 | 138.8 Ų | 138.8 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | trans | -65.4 | 148.8 | -152.3 | -19.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 893 | S | 23.9 | Very low | 26.4 | Very low | 108 Ų | 108 | 138.3 Ų | 138.3 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | -43.8 | 127.5 | 172.6 | -64 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 894 | V | 27 | Very low | 27 | Very low | 119 Ų | 119 | 143.5 Ų | 143.5 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | -171.3 | 121.6 | 110.2 | 161.4 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 895 | R | 24.4 | Very low | 27.4 | Very low | 226 Ų | 226 | 139.5 Ų | 139.5 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | trans | 73.7 | 123.8 | 152.8 | -71.1 | 166.3 | -167.5 | -170.3 | 2.8 | 121.4 | ||||
| 896 | K | 26.7 | Very low | 28 | Very low | 185 Ų | 185 | 146.3 Ų | 146.3 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | 80.4 | 90.5 | 151.6 | -65.6 | 176.6 | -178.7 | 176.8 | 0 | 117.4 | R898 | K896-R898 PolarHBondContact O-N 3.2Š| ||
| 897 | S | 25.2 | Very low | 28.6 | Very low | 127 Ų | 127 | 145.9 Ų | 145.9 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | trans | 18.4 | 91.2 | 138.6 | 47.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 898 | R | 29.6 | Very low | 29 | Very low | 229 Ų | 229 | 146.1 Ų | 146.1 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | trans | -147.6 | 140 | 156.6 | -152.6 | 168.2 | 178.4 | 168.8 | -2.3 | 109 | K896 | K896-R898 PolarHBondContact O-N 3.2Š| ||
| 899 | T | 30.5 | Very low | 29.4 | Very low | 136 Ų | 136 | 146.4 Ų | 146.4 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | trans | -60.4 | 144.6 | -167.3 | 44.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 900 | Q | 28.3 | Very low | 29.3 | Very low | 182 Ų | 182 | 155.8 Ų | 155.8 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | trans | -46.5 | 127.1 | 177.8 | -71.7 | 173 | -25.2 | 0 | 0 | 113.9 | ||||
| 901 | L | 30.6 | Very low | 29.4 | Very low | 171 Ų | 171 | 155.7 Ų | 155.7 | 90% | 0.895 | 80% | 0.801 | S | S | * | * | trans | 177.5 | 142.4 | 135 | -93.5 | 151.9 | 0 | 0 | 0 | 108.5 | ||||
| 902 | E | 35.9 | Very low | 29.4 | Very low | 179 Ų | 179 | 164 Ų | 164 | 84% | 0.836 | 81% | 0.814 | S | S | * | * | trans | 88.4 | 69.5 | 173 | -57.1 | -175.1 | 172.4 | 0 | 0 | 118.6 | ||||
| 903 | F | 31 | Very low | 29.1 | Very low | 139 Ų | 139 | 166.3 Ų | 166.3 | 61% | 0.61 | 82% | 0.815 | S | S | * | * | trans | -120.3 | 102.7 | 131.4 | -78.7 | -83.9 | 0 | 0 | 0 | 108.6 | S889 | S889-F903 VanDerWaalsContact O-CB 3.31Å; S889-F903 WeakPolarHBondContact O-CB 3.48Å; S889-F903 WeakPolarHBondContact O-CD2 3.29Å; S889-F903 WeakPolarHBondContact O-CG 3.5Å; S889-F903 WeakPolarHBondContact OG-CB 3.41Å; S889-F903 PolarHBondContact OG-O 2.87Å | ||
| 904 | L | 33.2 | Very low | 29.3 | Very low | 167 Ų | 167 | 169.1 Ų | 169.1 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | trans | -98.5 | 123.6 | 155.4 | -86.6 | 165.3 | 0 | 0 | 0 | 107.4 | ||||
| 905 | P | 31.3 | Very low | 28.9 | Very low | 82 Ų | 82 | 171.4 Ų | 171.4 | 53% | 0.532 | 82% | 0.822 | S | S | . | * | trans | -72.5 | 135.4 | -174.4 | 24.8 | -31.1 | 0 | 0 | 0 | 112.7 | A907 | P905-A907 PolarHBondContact O-N 3.01Š| ||
| 906 | R | 37.3 | Very low | 29 | Very low | 245 Ų | 245 | 167.6 Ų | 167.6 | 93% | 0.925 | 82% | 0.819 | S | S | * | * | G | 310 helix | trans | -59.1 | 7.1 | -177.7 | -83.2 | -175.3 | 175.6 | -165 | -1.4 | 116.8 | V908 | R906-V908 PolarHBondContact O-N 2.91Š|
| 907 | A | 35.4 | Very low | 29.2 | Very low | 92 Ų | 92 | 164 Ų | 164 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | G | 310 helix | trans | -73.7 | -6.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | P905 | P905-A907 PolarHBondContact O-N 3.01Š|
| 908 | V | 33.7 | Very low | 29 | Very low | 118 Ų | 118 | 164.3 Ų | 164.3 | 72% | 0.715 | 81% | 0.81 | S | S | * | * | G | 310 helix | trans | -98.7 | 3.2 | -175.6 | -164.2 | 0 | 0 | 0 | 0 | 113.9 | R906 | R906-V908 PolarHBondContact O-N 2.91Š|
| 909 | H | 32.8 | Very low | 28.9 | Very low | 179 Ų | 179 | 158.8 Ų | 158.8 | 83% | 0.829 | 81% | 0.807 | S | S | * | * | trans | -122 | 45.7 | 175.1 | -66.5 | -29.4 | 0 | 0 | 0 | 113.6 | ||||
| 910 | R | 22.8 | Very low | 28.5 | Very low | 237 Ų | 237 | 160.7 Ų | 160.7 | 89% | 0.894 | 81% | 0.806 | S | S | * | * | trans | -112.4 | 83.9 | 154.7 | -77 | -170.2 | 179.2 | -163.5 | -0.2 | 109.2 | ||||
| 911 | T | 28.1 | Very low | 28.2 | Very low | 141 Ų | 141 | 158.9 Ų | 158.9 | 87% | 0.865 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 122.1 | 152.3 | 42.7 | 0 | 0 | 0 | 0 | 107.5 | ||
| 912 | R | 24.6 | Very low | 27.9 | Very low | 235 Ų | 235 | 156.7 Ų | 156.7 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 147.8 | -175.7 | -72.1 | 170.3 | 166.5 | 164.2 | -6.1 | 112 | ||
| 913 | E | 20 | Very low | 27.2 | Very low | 195 Ų | 195 | 155.4 Ų | 155.4 | 91% | 0.911 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 131 | 158 | -64.9 | 167.4 | 166.2 | 0 | 0 | 110.6 | ||
| 914 | I | 26.5 | Very low | 26.9 | Very low | 167 Ų | 167 | 156.7 Ų | 156.7 | 86% | 0.856 | 81% | 0.807 | S | S | * | * | trans | -133.3 | 125.3 | 157 | -62.7 | -179.7 | 0 | 0 | 0 | 106.3 | ||||
| 915 | Q | 19.7 | Very low | 26.4 | Very low | 168 Ų | 168 | 154.1 Ų | 154.1 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -75.4 | 163.9 | 179.5 | -69.6 | 169.5 | -54.7 | 0 | 0 | 112.7 | ||||
| 916 | D | 25.8 | Very low | 26.1 | Very low | 146 Ų | 146 | 159.7 Ų | 159.7 | 78% | 0.781 | 82% | 0.817 | S | S | * | * | trans | 95.4 | 153.5 | 156.8 | -59.3 | -23.4 | 0 | 0 | 0 | 119.2 | ||||
| 917 | P | 30.6 | Very low | 25.3 | Very low | 110 Ų | 110 | 154.8 Ų | 154.8 | 71% | 0.714 | 81% | 0.809 | S | S | * | * | -138.2 | 161.6 | -51.8 | 38.1 | -21.5 | 0 | 0 | 0 | 114.5 | |||||
| 918 | V | 21.1 | Very low | 25 | Very low | 132 Ų | 132 | 157.3 Ų | 157.3 | 80% | 0.8 | 82% | 0.815 | S | S | * | * | trans | 18.5 | 121.3 | 149.5 | -170.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 919 | S | 28.2 | Very low | 24.4 | Very low | 114 Ų | 114 | 158.6 Ų | 158.6 | 80% | 0.797 | 82% | 0.818 | S | S | * | * | trans | -171.9 | 102.6 | 134.1 | 40.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 920 | E | 22.8 | Very low | 24.3 | Very low | 175 Ų | 175 | 156 Ų | 156 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | 65.1 | 93 | 98.8 | -76 | -172.6 | 173.8 | 0 | 0 | 116.6 | |||||
| 921 | I | 21.7 | Very low | 24.3 | Very low | 144 Ų | 144 | 154 Ų | 154 | 74% | 0.738 | 82% | 0.821 | S | S | * | * | 30.8 | 130.2 | 125.1 | -52.6 | 166 | 0 | 0 | 0 | 117.6 | M923 | I921-M923 HydrophobicContact CG2-CG 4.25Š| |||
| 922 | P | 23.1 | Very low | 24.3 | Very low | 126 Ų | 126 | 152.9 Ų | 152.9 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | -129.6 | 135.9 | 101.1 | 12.3 | 8.9 | 0 | 0 | 0 | 114.3 | |||||
| 923 | M | 21 | Very low | 24.2 | Very low | 151 Ų | 151 | 146.8 Ų | 146.8 | 74% | 0.744 | 81% | 0.812 | S | S | * | * | trans | -69.9 | 144.7 | 158.9 | -61.6 | -171 | -56.7 | 0 | 0 | 109 | I921 | I921-M923 HydrophobicContact CG2-CG 4.25Š| ||
| 924 | D | 25.7 | Very low | 24.7 | Very low | 167 Ų | 167 | 144.4 Ų | 144.4 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | trans | -139.7 | 123.8 | 138.8 | -92.6 | -35.8 | 0 | 0 | 0 | 109.8 | ||||
| 925 | T | 21.9 | Very low | 24.7 | Very low | 112 Ų | 112 | 142.9 Ų | 142.9 | 69% | 0.687 | 81% | 0.809 | S | S | * | * | trans | -77.7 | 138.9 | 172.9 | 41.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 926 | E | 25.2 | Very low | 25.4 | Very low | 199 Ų | 199 | 141.2 Ų | 141.2 | 93% | 0.93 | 81% | 0.811 | S | S | * | * | trans | -153.7 | 130.5 | 141.3 | -116.9 | 174 | -160.8 | 0 | 0 | 112.2 | ||||
| 927 | N | 21.2 | Very low | 25.5 | Very low | 143 Ų | 143 | 138 Ų | 138 | 77% | 0.765 | 81% | 0.812 | S | S | * | * | trans | -71.7 | 156.4 | -179.8 | -67.2 | -47.2 | 0 | 0 | 0 | 111.6 | ||||
| 928 | T | 27.7 | Very low | 25.8 | Very low | 145 Ų | 145 | 137.4 Ų | 137.4 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | -168.7 | 134.1 | 123.1 | 19.9 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 929 | D | 21.9 | Very low | 27 | Very low | 145 Ų | 145 | 139.2 Ų | 139.2 | 78% | 0.775 | 81% | 0.808 | S | S | * | * | trans | -64.5 | 151.2 | -179 | -56.9 | -66.5 | 0 | 0 | 0 | 114 | ||||
| 930 | S | 30.6 | Very low | 27.4 | Very low | 125 Ų | 125 | 139.3 Ų | 139.3 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | -158.3 | 116.8 | 133.3 | 36.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 931 | E | 22.7 | Very low | 28.2 | Very low | 193 Ų | 193 | 136.4 Ų | 136.4 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | trans | -70.2 | 137.4 | 176.4 | -59 | 170.7 | 137.7 | 0 | 0 | 111.3 | ||||
| 932 | S | 29 | Very low | 29.3 | Very low | 118 Ų | 118 | 136 Ų | 136 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | -152.3 | 117.3 | 142.8 | 71.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 933 | S | 23.1 | Very low | 31.5 | Very low | 108 Ų | 108 | 137 Ų | 137 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | -68.3 | 134.3 | -179.7 | 51.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 934 | T | 29.2 | Very low | 32.7 | Very low | 144 Ų | 144 | 135.1 Ų | 135.1 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | trans | -139.4 | 121.1 | 142.9 | 36.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 935 | V | 26.1 | Very low | 34.3 | Very low | 135 Ų | 135 | 135.9 Ų | 135.9 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | -87.8 | 113.8 | -174.8 | 172.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 936 | T | 34 | Very low | 36.2 | Very low | 134 Ų | 134 | 140 Ų | 140 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | trans | -135.6 | 100.9 | 155.1 | 53.1 | 0 | 0 | 0 | 0 | 107.5 | S938 | T936-S938 PolarHBondContact O-N 3.29Š| ||
| 937 | G | 29.7 | Very low | 38.3 | Very low | 78 Ų | 78 | 136.5 Ų | 136.5 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | trans | -65.3 | 99.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 938 | S | 36.4 | Very low | 39.9 | Very low | 97 Ų | 97 | 137.2 Ų | 137.2 | 68% | 0.678 | 74% | 0.744 | S | S | * | * | trans | -81.5 | 132.2 | 155.1 | -168.8 | 0 | 0 | 0 | 0 | 108.1 | T936 D940 | T936-S938 PolarHBondContact O-N 3.29Å; S938-D940 VanDerWaalsContact C-N 3.31Å; S938-D940 PolarHBondContact O-N 3.38Å | ||
| 939 | K | 46.3 | Very low | 40.9 | Very low | 171 Ų | 171 | 141.8 Ų | 141.8 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | trans | -72 | 83.1 | -175.3 | -66.9 | 174.7 | 179.4 | 174.2 | 0 | 109.9 | ||||
| 940 | D | 36.9 | Very low | 41.8 | Very low | 116 Ų | 116 | 141.6 Ų | 141.6 | 62% | 0.62 | 75% | 0.75 | S | S | * | * | trans | -80.7 | 158 | -179.1 | -97.1 | -23.8 | 0 | 0 | 0 | 113.8 | S938 E942 Y943 | S938-D940 VanDerWaalsContact C-N 3.31Å; S938-D940 PolarHBondContact O-N 3.38Å; D940-E942 PolarHBondContact O-N 2.64Å; D940-Y943 WeakPolarHBondContact O-CB 3.46Å; D940-Y943 PolarHBondContact O-N 3.44Å | ||
| 941 | N | 39 | Very low | 42.4 | Very low | 113 Ų | 113 | 142.5 Ų | 142.5 | 60% | 0.604 | 74% | 0.744 | S | S | * | * | H | α-helix | trans | -53 | -14 | -170.2 | -72.5 | -37.8 | 0 | 0 | 0 | 116.2 | F944 R945 | N941-F944 PolarHBondContact O-N 2.72Å; N941-R945 PolarHBondContact O-N 3.04Å; N941-R945 VanDerWaalsContact O-N 3.14Å |
| 942 | E | 43.7 | Very low | 43.5 | Very low | 137 Ų | 137 | 139.7 Ų | 139.7 | 64% | 0.64 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -72 | -32.6 | 173.5 | -142.8 | -165.2 | -176.8 | 0 | 0 | 112.7 | D940 F944 R945 R946 | D940-E942 PolarHBondContact O-N 2.64Å; E942-F944 VanDerWaalsContact C-N 3.3Å; E942-F944 PolarHBondContact O-N 3.22Å; E942-R945 PolarHBondContact O-N 3.18Å; E942-R946 PolarHBondContact O-N 2.99Å |
| 943 | Y | 69.4 | Low | 44.4 | Very low | 145 Ų | 145 | 140.9 Ų | 140.9 | 57% | 0.569 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -60.7 | -42.3 | 170.6 | 176.7 | -98.7 | 0 | 0 | 0 | 110.9 | D940 R945 R946 L947 | D940-Y943 WeakPolarHBondContact O-CB 3.46Å; D940-Y943 PolarHBondContact O-N 3.44Å; Y943-R945 VanDerWaalsContact C-N 3.34Å; Y943-R945 PolarHBondContact O-N 2.93Å; Y943-R946 PolarHBondContact O-N 3.44Å; Y943-L947 PolarHBondContact O-N 2.73Å |
| 944 | F | 48 | Very low | 45.7 | Very low | 112 Ų | 112 | 143 Ų | 143 | 49% | 0.491 | 73% | 0.728 | S | S | . | * | H | α-helix | trans | -66.9 | -32.1 | 176.9 | -74.4 | -78.5 | 0 | 0 | 0 | 112.9 | N941 E942 L947 | N941-F944 PolarHBondContact O-N 2.72Å; E942-F944 VanDerWaalsContact C-N 3.3Å; E942-F944 PolarHBondContact O-N 3.22Å; F944-L947 PolarHBondContact O-N 2.95Å |
| 945 | R | 58.4 | Low | 46.8 | Very low | 184 Ų | 184 | 142.9 Ų | 142.9 | 69% | 0.694 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -71.9 | -28.9 | 175.4 | -75.9 | -173.9 | -177.9 | 133.2 | 0.4 | 113.8 | N941 E942 Y943 | N941-R945 PolarHBondContact O-N 3.04Å; N941-R945 VanDerWaalsContact O-N 3.14Å; E942-R945 PolarHBondContact O-N 3.18Å; Y943-R945 VanDerWaalsContact C-N 3.34Å; Y943-R945 PolarHBondContact O-N 2.93Å |
| 946 | R | 61.3 | Low | 48.3 | Very low | 197 Ų | 197 | 143.5 Ų | 143.5 | 74% | 0.743 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -73.8 | -26.7 | 174.6 | -88.6 | -173.6 | -177.8 | 148.8 | 4.9 | 113.4 | E942 Y943 L948 | E942-R946 PolarHBondContact O-N 2.99Å; Y943-R946 PolarHBondContact O-N 3.44Å; R946-L948 VanDerWaalsContact C-N 3.27Å |
| 947 | L | 70.2 | Confident | 49.4 | Very low | 127 Ų | 127 | 144.2 Ų | 144.2 | 67% | 0.665 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -76.1 | -17.5 | 178.8 | -141.5 | 96.8 | 0 | 0 | 0 | 113.1 | Y943 F944 | Y943-L947 PolarHBondContact O-N 2.73Å; F944-L947 PolarHBondContact O-N 2.95Å |
| 948 | L | 54.6 | Low | 51 | Low | 158 Ų | 158 | 149.8 Ų | 149.8 | 83% | 0.827 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | 1.3 | -178.8 | -71.6 | 169.8 | 0 | 0 | 0 | 113.5 | R946 | R946-L948 VanDerWaalsContact C-N 3.27Š|
| 949 | K | 48.3 | Very low | 52.4 | Low | 240 Ų | 240 | 154.5 Ų | 154.5 | 100% | 1.043 | 70% | 0.695 | S | S | * | * | trans | -104 | 0 | 164.3 | -75 | -173.5 | 176.1 | -177.3 | 0 | 108.4 |
Retrieved 949 of 949 residues in 197.5 ms
(Link to these results)