| 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 | 55.9 | Low | 75.4 | Confident | 203 Ų | 203 | 108 Ų | 108 | 100% | 1 | 61% | 0.605 | S | S | * | * | 0 | -41.7 | 0 | -76.8 | -176.2 | 179.2 | 0 | 0 | 113.7 | S3 E4 S5 | M1-S3 VanDerWaalsContact C-N 3.29Å; M1-S3 PolarHBondContact O-N 3.24Å; M1-E4 PolarHBondContact O-N 3.35Å; M1-S5 PolarHBondContact O-OG 3.41Å | |||
| 2 | I | 60.6 | Low | 76.5 | Confident | 140 Ų | 140 | 108.6 Ų | 108.6 | 72% | 0.718 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -60.9 | -32.2 | -178 | -59.1 | 167.9 | 0 | 0 | 0 | 113.7 | E4 S5 | I2-E4 VanDerWaalsContact C-N 3.32Å; I2-E4 PolarHBondContact O-N 3.42Å; I2-S5 WeakPolarHBondContact O-CB 3.46Å; I2-S5 PolarHBondContact O-N 3.17Å |
| 3 | S | 66.5 | Low | 77.4 | Confident | 99 Ų | 99 | 105.7 Ų | 105.7 | 69% | 0.692 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67.6 | -28.3 | 178.4 | -172.5 | 0 | 0 | 0 | 0 | 113.8 | M1 | M1-S3 VanDerWaalsContact C-N 3.29Å; M1-S3 PolarHBondContact O-N 3.24Å |
| 4 | E | 72.7 | Confident | 78.3 | Confident | 140 Ų | 140 | 105.4 Ų | 105.4 | 65% | 0.654 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -75.7 | -31.8 | 178.6 | -67.2 | -170.9 | 150.4 | 0 | 0 | 110.9 | M1 I2 N6 L7 V8 | M1-E4 PolarHBondContact O-N 3.35Å; I2-E4 VanDerWaalsContact C-N 3.32Å; I2-E4 PolarHBondContact O-N 3.42Å; E4-N6 VanDerWaalsContact C-N 3.33Å; E4-N6 PolarHBondContact O-N 2.91Å; E4-L7 PolarHBondContact O-N 3.04Å; E4-V8 WeakPolarHBondContact O-CG2 3.4Å; E4-V8 PolarHBondContact O-N 3.44Å; E4-V8 VanDerWaalsContact O-N 3.07Å |
| 5 | S | 74.5 | Confident | 79.1 | Confident | 67 Ų | 67 | 101.5 Ų | 101.5 | 47% | 0.469 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61.4 | -39.5 | 176.2 | -42.3 | 0 | 0 | 0 | 0 | 112.5 | M1 I2 T9 | M1-S5 PolarHBondContact O-OG 3.41Å; I2-S5 WeakPolarHBondContact O-CB 3.46Å; I2-S5 PolarHBondContact O-N 3.17Å; S5-T9 PolarHBondContact O-N 2.98Å; S5-T9 PolarHBondContact O-OG1 3.07Å |
| 6 | N | 79.1 | Confident | 79.7 | Confident | 103 Ų | 103 | 98.4 Ų | 98.4 | 55% | 0.551 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -71.2 | -33.6 | 178.5 | -70.6 | -26.8 | 0 | 0 | 0 | 112.6 | E4 T9 T10 | E4-N6 VanDerWaalsContact C-N 3.33Å; E4-N6 PolarHBondContact O-N 2.91Å; N6-T9 PolarHBondContact O-N 2.72Å; N6-T10 WeakPolarHBondContact O-CG2 3.39Å; N6-T10 PolarHBondContact O-N 2.78Å; N6-T10 PolarHBondContact O-OG1 3.03Å |
| 7 | L | 81.7 | Confident | 80.3 | Confident | 114 Ų | 114 | 99.1 Ų | 99.1 | 60% | 0.597 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -69.6 | -40.3 | 176.2 | -171.8 | 65.7 | 0 | 0 | 0 | 111.3 | E4 T9 T10 T11 | E4-L7 PolarHBondContact O-N 3.04Å; L7-T9 VanDerWaalsContact C-N 3.34Å; L7-T10 WeakPolarHBondContact CA-OG1 3.45Å; L7-T10 PolarHBondContact O-OG1 3.05Å; L7-T10 VanDerWaalsContact O-OG1 3.05Å; L7-T11 WeakPolarHBondContact O-CB 3.24Å; L7-T11 VanDerWaalsContact O-CG2 3.3Å; L7-T11 WeakPolarHBondContact O-CG2 3.37Å; L7-T11 PolarHBondContact O-N 3.26Å; L7-T11 PolarHBondContact O-OG1 3.4Å |
| 8 | V | 83.3 | Confident | 80.9 | Confident | 83 Ų | 83 | 96.7 Ų | 96.7 | 50% | 0.503 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.8 | -40 | 174.5 | 177.1 | 0 | 0 | 0 | 0 | 110.9 | E4 T11 L12 | E4-V8 WeakPolarHBondContact O-CG2 3.4Å; E4-V8 PolarHBondContact O-N 3.44Å; E4-V8 VanDerWaalsContact O-N 3.07Å; V8-T11 WeakPolarHBondContact CA-OG1 3.3Å; V8-T11 PolarHBondContact O-OG1 3.04Å; V8-L12 HydrophobicContact CG1-CD1 4.04Å; V8-L12 WeakPolarHBondContact O-CB 3.44Å; V8-L12 VanDerWaalsContact O-CG 3.24Å; V8-L12 WeakPolarHBondContact O-CG 3.44Å; V8-L12 PolarHBondContact O-N 2.84Å |
| 9 | T | 83.1 | Confident | 81.4 | Confident | 79 Ų | 79 | 95.8 Ų | 95.8 | 49% | 0.485 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -68.8 | -42 | 179.9 | -48 | 0 | 0 | 0 | 0 | 112 | S5 N6 L7 L12 C13 | S5-T9 PolarHBondContact O-N 2.98Å; S5-T9 PolarHBondContact O-OG1 3.07Å; N6-T9 PolarHBondContact O-N 2.72Å; L7-T9 VanDerWaalsContact C-N 3.34Å; T9-L12 PolarHBondContact O-N 2.99Å; T9-C13 PolarHBondContact O-N 3.36Å; T9-C13 PolarHBondContact O-SG 3.01Å; T9-C13 VanDerWaalsContact O-SG 3.36Å |
| 10 | T | 86 | Confident | 81.8 | Confident | 80 Ų | 80 | 96.4 Ų | 96.4 | 49% | 0.491 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.7 | -39.8 | 178.1 | 46.3 | 0 | 0 | 0 | 0 | 112.3 | N6 L7 L12 C13 V14 | N6-T10 WeakPolarHBondContact O-CG2 3.39Å; N6-T10 PolarHBondContact O-N 2.78Å; N6-T10 PolarHBondContact O-OG1 3.03Å; L7-T10 WeakPolarHBondContact CA-OG1 3.45Å; L7-T10 PolarHBondContact O-OG1 3.05Å; L7-T10 VanDerWaalsContact O-OG1 3.05Å; T10-L12 VanDerWaalsContact C-N 3.35Å; T10-C13 PolarHBondContact O-N 3Å; T10-V14 WeakPolarHBondContact O-CG2 3.39Å; T10-V14 PolarHBondContact O-N 3.27Å |
| 11 | T | 86.5 | Confident | 82.2 | Confident | 80 Ų | 80 | 95.5 Ų | 95.5 | 49% | 0.491 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.3 | -38.5 | 174.7 | 48.8 | 0 | 0 | 0 | 0 | 111.9 | L7 V8 A15 | L7-T11 WeakPolarHBondContact O-CB 3.24Å; L7-T11 VanDerWaalsContact O-CG2 3.3Å; L7-T11 WeakPolarHBondContact O-CG2 3.37Å; L7-T11 PolarHBondContact O-N 3.26Å; L7-T11 PolarHBondContact O-OG1 3.4Å; V8-T11 WeakPolarHBondContact CA-OG1 3.3Å; V8-T11 PolarHBondContact O-OG1 3.04Å; T11-A15 WeakPolarHBondContact O-CB 3.37Å; T11-A15 PolarHBondContact O-N 3.45Å |
| 12 | L | 88.6 | Confident | 83.8 | Confident | 115 Ų | 115 | 90.8 Ų | 90.8 | 60% | 0.602 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.2 | -41.8 | 172.3 | -73.9 | 169 | 0 | 0 | 0 | 112.6 | V8 T9 T10 A15 A16 | V8-L12 HydrophobicContact CG1-CD1 4.04Å; V8-L12 WeakPolarHBondContact O-CB 3.44Å; V8-L12 VanDerWaalsContact O-CG 3.24Å; V8-L12 WeakPolarHBondContact O-CG 3.44Å; V8-L12 PolarHBondContact O-N 2.84Å; T9-L12 PolarHBondContact O-N 2.99Å; T10-L12 VanDerWaalsContact C-N 3.35Å; L12-A15 PolarHBondContact O-N 3.38Å; L12-A16 PolarHBondContact O-N 3.03Å |
| 13 | C | 88.3 | Confident | 85.2 | Confident | 71 Ų | 71 | 88.7 Ų | 88.7 | 48% | 0.48 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.8 | -43.1 | 177.6 | -72 | 0 | 0 | 0 | 0 | 112.9 | T9 T10 A15 A16 I17 | T9-C13 PolarHBondContact O-N 3.36Å; T9-C13 PolarHBondContact O-SG 3.01Å; T9-C13 VanDerWaalsContact O-SG 3.36Å; T10-C13 PolarHBondContact O-N 3Å; C13-A15 VanDerWaalsContact C-N 3.34Å; C13-A16 PolarHBondContact O-N 3.01Å; C13-I17 WeakPolarHBondContact O-CG1 3.5Å; C13-I17 PolarHBondContact O-N 2.7Å |
| 14 | V | 90.2 | Very high | 86.1 | Confident | 101 Ų | 101 | 88.2 Ų | 88.2 | 61% | 0.612 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.5 | -40.1 | 177.6 | 175 | 0 | 0 | 0 | 0 | 110.6 | T10 A16 I17 S18 | T10-V14 WeakPolarHBondContact O-CG2 3.39Å; T10-V14 PolarHBondContact O-N 3.27Å; V14-A16 PolarHBondContact O-N 3.42Å; V14-I17 PolarHBondContact O-N 3.49Å; V14-S18 WeakPolarHBondContact O-CB 3.42Å; V14-S18 PolarHBondContact O-N 3.03Å |
| 15 | A | 89.3 | Confident | 86.9 | Confident | 47 Ų | 47 | 85.9 Ų | 85.9 | 39% | 0.388 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.5 | -45.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | T11 L12 C13 I17 S18 V19 | T11-A15 WeakPolarHBondContact O-CB 3.37Å; T11-A15 PolarHBondContact O-N 3.45Å; L12-A15 PolarHBondContact O-N 3.38Å; C13-A15 VanDerWaalsContact C-N 3.34Å; A15-I17 PolarHBondContact O-N 3.05Å; A15-S18 PolarHBondContact O-N 3.27Å; A15-S18 PolarHBondContact O-OG 3.25Å; A15-V19 WeakPolarHBondContact O-CG2 3.28Å; A15-V19 PolarHBondContact O-N 3.47Å |
| 16 | A | 89.5 | Confident | 87.4 | Confident | 53 Ų | 53 | 85.2 Ų | 85.2 | 44% | 0.438 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.3 | -43.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L12 C13 V14 S18 V19 I20 | L12-A16 PolarHBondContact O-N 3.03Å; C13-A16 PolarHBondContact O-N 3.01Å; V14-A16 PolarHBondContact O-N 3.42Å; A16-S18 VanDerWaalsContact C-N 3.34Å; A16-S18 PolarHBondContact O-N 3.1Å; A16-V19 PolarHBondContact O-N 3.31Å; A16-I20 WeakPolarHBondContact O-CG1 3.35Å; A16-I20 PolarHBondContact O-N 3.48Å; A16-I20 VanDerWaalsContact O-N 3.1Å |
| 17 | I | 90.1 | Very high | 87.8 | Confident | 109 Ų | 109 | 84.1 Ų | 84.1 | 56% | 0.559 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.8 | -41.5 | 176.6 | -65.7 | 167.8 | 0 | 0 | 0 | 110.7 | C13 V14 A15 V19 I20 V21 | C13-I17 WeakPolarHBondContact O-CG1 3.5Å; C13-I17 PolarHBondContact O-N 2.7Å; V14-I17 PolarHBondContact O-N 3.49Å; A15-I17 PolarHBondContact O-N 3.05Å; I17-V19 VanDerWaalsContact C-N 3.3Å; I17-V19 PolarHBondContact O-N 3.32Å; I17-I20 PolarHBondContact O-N 3.5Å; I17-V21 HydrophobicContact CG2-CG2 4.48Å; I17-V21 WeakPolarHBondContact O-CG2 3.28Å; I17-V21 PolarHBondContact O-N 3.43Å |
| 18 | S | 90.3 | Very high | 87.8 | Confident | 57 Ų | 57 | 82.4 Ų | 82.4 | 40% | 0.399 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.6 | -37.9 | 178.3 | 76.5 | 0 | 0 | 0 | 0 | 112.2 | V14 A15 A16 V21 I22 | V14-S18 WeakPolarHBondContact O-CB 3.42Å; V14-S18 PolarHBondContact O-N 3.03Å; A15-S18 PolarHBondContact O-N 3.27Å; A15-S18 PolarHBondContact O-OG 3.25Å; A16-S18 VanDerWaalsContact C-N 3.34Å; A16-S18 PolarHBondContact O-N 3.1Å; S18-V21 PolarHBondContact O-N 3.03Å; S18-I22 VanDerWaalsContact O-CG1 3.28Å; S18-I22 WeakPolarHBondContact O-CG1 3.38Å; S18-I22 PolarHBondContact O-N 2.93Å |
| 19 | V | 90.2 | Very high | 87.9 | Confident | 79 Ų | 79 | 83.3 Ų | 83.3 | 48% | 0.479 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.9 | -43.9 | 175.5 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | A15 A16 I17 V21 I22 I23 | A15-V19 WeakPolarHBondContact O-CG2 3.28Å; A15-V19 PolarHBondContact O-N 3.47Å; A16-V19 PolarHBondContact O-N 3.31Å; I17-V19 VanDerWaalsContact C-N 3.3Å; I17-V19 PolarHBondContact O-N 3.32Å; V19-V21 PolarHBondContact O-N 3.24Å; V19-I22 PolarHBondContact O-N 3.28Å; V19-I23 HydrophobicContact CG1-CD1 3.79Å; V19-I23 HydrophobicContact CG1-CG1 4.46Å; V19-I23 VanDerWaalsContact O-CG1 3.28Å; V19-I23 WeakPolarHBondContact O-CG1 3.41Å; V19-I23 PolarHBondContact O-N 3.04Å |
| 20 | I | 90.4 | Very high | 87.8 | Confident | 108 Ų | 108 | 85 Ų | 85 | 55% | 0.554 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.6 | -43.8 | 177.8 | -66.6 | 167.4 | 0 | 0 | 0 | 111.1 | A16 I17 I22 I23 V24 | A16-I20 WeakPolarHBondContact O-CG1 3.35Å; A16-I20 PolarHBondContact O-N 3.48Å; A16-I20 VanDerWaalsContact O-N 3.1Å; I17-I20 PolarHBondContact O-N 3.5Å; I20-I22 PolarHBondContact O-N 2.95Å; I20-I23 PolarHBondContact O-N 3.33Å; I20-V24 HydrophobicContact CG2-CG2 4.49Å; I20-V24 WeakPolarHBondContact O-CG2 3.41Å; I20-V24 PolarHBondContact O-N 3.45Å |
| 21 | V | 90.2 | Very high | 87.4 | Confident | 77 Ų | 77 | 85 Ų | 85 | 47% | 0.467 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 178.5 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | I17 S18 V19 I23 V24 I25 | I17-V21 HydrophobicContact CG2-CG2 4.48Å; I17-V21 WeakPolarHBondContact O-CG2 3.28Å; I17-V21 PolarHBondContact O-N 3.43Å; S18-V21 PolarHBondContact O-N 3.03Å; V19-V21 PolarHBondContact O-N 3.24Å; V21-I23 VanDerWaalsContact C-N 3.33Å; V21-I23 PolarHBondContact O-N 2.96Å; V21-V24 PolarHBondContact O-N 3.4Å; V21-I25 HydrophobicContact CG1-CD1 3.84Å; V21-I25 HydrophobicContact CG1-CG1 4.47Å; V21-I25 WeakPolarHBondContact O-CG1 3.33Å; V21-I25 PolarHBondContact O-N 3.27Å |
| 22 | I | 89.5 | Confident | 86.9 | Confident | 104 Ų | 104 | 89.3 Ų | 89.3 | 53% | 0.533 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.8 | -38.8 | 176.8 | -68.2 | 167 | 0 | 0 | 0 | 110.9 | S18 V19 I20 S26 | S18-I22 VanDerWaalsContact O-CG1 3.28Å; S18-I22 WeakPolarHBondContact O-CG1 3.38Å; S18-I22 PolarHBondContact O-N 2.93Å; V19-I22 PolarHBondContact O-N 3.28Å; I20-I22 PolarHBondContact O-N 2.95Å; I22-S26 WeakPolarHBondContact O-CB 3.18Å; I22-S26 PolarHBondContact O-N 2.86Å; I22-S26 PolarHBondContact O-OG 3.39Å |
| 23 | I | 90 | Very high | 86.2 | Confident | 96 Ų | 96 | 91.1 Ų | 91.1 | 49% | 0.492 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.4 | -46.1 | 175.7 | -68 | 167.5 | 0 | 0 | 0 | 110.7 | V19 I20 V21 I25 S26 V27 | V19-I23 HydrophobicContact CG1-CD1 3.79Å; V19-I23 HydrophobicContact CG1-CG1 4.46Å; V19-I23 VanDerWaalsContact O-CG1 3.28Å; V19-I23 WeakPolarHBondContact O-CG1 3.41Å; V19-I23 PolarHBondContact O-N 3.04Å; I20-I23 PolarHBondContact O-N 3.33Å; V21-I23 VanDerWaalsContact C-N 3.33Å; V21-I23 PolarHBondContact O-N 2.96Å; I23-I25 PolarHBondContact O-N 3.46Å; I23-S26 PolarHBondContact O-N 3.47Å; I23-V27 HydrophobicContact CG2-CG2 4.27Å; I23-V27 WeakPolarHBondContact O-CB 3.33Å; I23-V27 VanDerWaalsContact O-CG2 3.3Å; I23-V27 WeakPolarHBondContact O-CG2 3.21Å; I23-V27 PolarHBondContact O-N 2.7Å |
| 24 | V | 85.1 | Confident | 85.4 | Confident | 90 Ų | 90 | 96.8 Ų | 96.8 | 55% | 0.545 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.2 | -44.8 | 177.3 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | I20 V21 V27 C28 | I20-V24 HydrophobicContact CG2-CG2 4.49Å; I20-V24 WeakPolarHBondContact O-CG2 3.41Å; I20-V24 PolarHBondContact O-N 3.45Å; V21-V24 PolarHBondContact O-N 3.4Å; V24-V27 PolarHBondContact O-N 3.23Å; V24-C28 WeakPolarHBondContact O-CB 3.3Å; V24-C28 PolarHBondContact O-N 2.83Å |
| 25 | I | 89.7 | Confident | 83.6 | Confident | 91 Ų | 91 | 95.1 Ų | 95.1 | 47% | 0.467 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.9 | -44.1 | 176.6 | -66.4 | 169.6 | 0 | 0 | 0 | 110.5 | V21 I23 V27 C28 L29 | V21-I25 HydrophobicContact CG1-CD1 3.84Å; V21-I25 HydrophobicContact CG1-CG1 4.47Å; V21-I25 WeakPolarHBondContact O-CG1 3.33Å; V21-I25 PolarHBondContact O-N 3.27Å; I23-I25 PolarHBondContact O-N 3.46Å; I25-V27 PolarHBondContact O-N 2.82Å; I25-C28 WeakPolarHBondContact O-CB 3.45Å; I25-C28 PolarHBondContact O-N 3.44Å; I25-L29 HydrophobicContact CG2-CD1 3.91Å; I25-L29 HydrophobicContact CG2-CG 4.23Å; I25-L29 WeakPolarHBondContact O-CB 3.46Å; I25-L29 VanDerWaalsContact O-CG 3.31Å; I25-L29 WeakPolarHBondContact O-CG 3.37Å; I25-L29 PolarHBondContact O-N 2.81Å |
| 26 | S | 84.4 | Confident | 82.3 | Confident | 52 Ų | 52 | 101 Ų | 101 | 36% | 0.364 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 178.2 | -61.7 | 0 | 0 | 0 | 0 | 111.5 | I22 I23 L29 L30 | I22-S26 WeakPolarHBondContact O-CB 3.18Å; I22-S26 PolarHBondContact O-N 2.86Å; I22-S26 PolarHBondContact O-OG 3.39Å; I23-S26 PolarHBondContact O-N 3.47Å; S26-L29 PolarHBondContact O-N 3.46Å; S26-L30 VanDerWaalsContact O-CB 3.28Å; S26-L30 WeakPolarHBondContact O-CB 3.28Å; S26-L30 WeakPolarHBondContact O-CG 3.18Å; S26-L30 PolarHBondContact O-N 2.79Å |
| 27 | V | 87 | Confident | 80.2 | Confident | 81 Ų | 81 | 103.9 Ų | 103.9 | 49% | 0.491 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.3 | -40.1 | 174.6 | 173.3 | 0 | 0 | 0 | 0 | 111 | I23 V24 I25 L29 L30 T31 | I23-V27 HydrophobicContact CG2-CG2 4.27Å; I23-V27 WeakPolarHBondContact O-CB 3.33Å; I23-V27 VanDerWaalsContact O-CG2 3.3Å; I23-V27 WeakPolarHBondContact O-CG2 3.21Å; I23-V27 PolarHBondContact O-N 2.7Å; V24-V27 PolarHBondContact O-N 3.23Å; I25-V27 PolarHBondContact O-N 2.82Å; V27-L29 VanDerWaalsContact C-N 3.35Å; V27-L29 PolarHBondContact O-N 3.33Å; V27-L30 PolarHBondContact O-N 3.31Å; V27-T31 HydrophobicContact CG1-CG2 4.23Å; V27-T31 WeakPolarHBondContact O-CB 3.34Å; V27-T31 WeakPolarHBondContact O-CG2 3.31Å; V27-T31 PolarHBondContact O-N 2.76Å; V27-T31 PolarHBondContact O-OG1 2.82Å |
| 28 | C | 81.4 | Confident | 78.4 | Confident | 77 Ų | 77 | 106.3 Ų | 106.3 | 52% | 0.52 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.8 | -40.6 | 173.8 | -115.9 | 0 | 0 | 0 | 0 | 112.3 | V24 I25 T31 R32 | V24-C28 WeakPolarHBondContact O-CB 3.3Å; V24-C28 PolarHBondContact O-N 2.83Å; I25-C28 WeakPolarHBondContact O-CB 3.45Å; I25-C28 PolarHBondContact O-N 3.44Å; C28-T31 WeakPolarHBondContact CA-OG1 3.21Å; C28-T31 PolarHBondContact O-OG1 3.44Å; C28-R32 WeakPolarHBondContact O-CB 3.45Å; C28-R32 PolarHBondContact O-N 3.18Å |
| 29 | L | 85.5 | Confident | 75.9 | Confident | 103 Ų | 103 | 110.7 Ų | 110.7 | 54% | 0.539 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -74.6 | -38.8 | 178.2 | -69.1 | 178.5 | 0 | 0 | 0 | 111.9 | I25 S26 V27 R32 R33 | I25-L29 HydrophobicContact CG2-CD1 3.91Å; I25-L29 HydrophobicContact CG2-CG 4.23Å; I25-L29 WeakPolarHBondContact O-CB 3.46Å; I25-L29 VanDerWaalsContact O-CG 3.31Å; I25-L29 WeakPolarHBondContact O-CG 3.37Å; I25-L29 PolarHBondContact O-N 2.81Å; S26-L29 PolarHBondContact O-N 3.46Å; V27-L29 VanDerWaalsContact C-N 3.35Å; V27-L29 PolarHBondContact O-N 3.33Å; L29-R32 PolarHBondContact O-N 3.21Å; L29-R33 WeakPolarHBondContact O-CB 3.16Å; L29-R33 PolarHBondContact O-N 3.48Å |
| 30 | L | 81.9 | Confident | 74 | Confident | 115 Ų | 115 | 110.3 Ų | 110.3 | 60% | 0.602 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.5 | -40.4 | 174.5 | -72.9 | 172.8 | 0 | 0 | 0 | 111.4 | S26 V27 R33 R34 | S26-L30 VanDerWaalsContact O-CB 3.28Å; S26-L30 WeakPolarHBondContact O-CB 3.28Å; S26-L30 WeakPolarHBondContact O-CG 3.18Å; S26-L30 PolarHBondContact O-N 2.79Å; V27-L30 PolarHBondContact O-N 3.31Å; L30-R33 PolarHBondContact O-N 2.76Å; L30-R34 WeakPolarHBondContact O-CB 3.33Å; L30-R34 PolarHBondContact O-N 2.94Å |
| 31 | T | 76.7 | Confident | 71.9 | Confident | 80 Ų | 80 | 109.4 Ų | 109.4 | 49% | 0.491 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67 | -41.3 | 174.1 | 51.8 | 0 | 0 | 0 | 0 | 111.4 | V27 C28 R33 R34 S35 | V27-T31 HydrophobicContact CG1-CG2 4.23Å; V27-T31 WeakPolarHBondContact O-CB 3.34Å; V27-T31 WeakPolarHBondContact O-CG2 3.31Å; V27-T31 PolarHBondContact O-N 2.76Å; V27-T31 PolarHBondContact O-OG1 2.82Å; C28-T31 WeakPolarHBondContact CA-OG1 3.21Å; C28-T31 PolarHBondContact O-OG1 3.44Å; T31-R33 PolarHBondContact O-N 2.75Å; T31-R34 PolarHBondContact O-N 2.97Å; T31-S35 VanDerWaalsContact O-CB 3.28Å; T31-S35 WeakPolarHBondContact O-CB 3.47Å; T31-S35 PolarHBondContact O-N 2.71Å |
| 32 | R | 77.2 | Confident | 69.7 | Low | 169 Ų | 169 | 110.5 Ų | 110.5 | 64% | 0.638 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.5 | -40.9 | 170 | -100.9 | 179.5 | 151.6 | 177.6 | -4.1 | 112.8 | C28 L29 S35 R36 | C28-R32 WeakPolarHBondContact O-CB 3.45Å; C28-R32 PolarHBondContact O-N 3.18Å; L29-R32 PolarHBondContact O-N 3.21Å; R32-S35 WeakPolarHBondContact O-CB 3.46Å; R32-R36 WeakPolarHBondContact O-CG 3.45Å; R32-R36 PolarHBondContact O-N 3.42Å |
| 33 | R | 73.5 | Confident | 67.5 | Low | 154 Ų | 154 | 113 Ų | 113 | 58% | 0.581 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -74.8 | -35.1 | -178.7 | -161.9 | 174.7 | -178.6 | -176.1 | -4 | 111.3 | L29 L30 T31 R36 Y37 | L29-R33 WeakPolarHBondContact O-CB 3.16Å; L29-R33 PolarHBondContact O-N 3.48Å; L30-R33 PolarHBondContact O-N 2.76Å; T31-R33 PolarHBondContact O-N 2.75Å; R33-R36 CarbonylContact O-C 3.56Å; R33-R36 PolarHBondContact O-N 3.17Å; R33-Y37 HydrophobicContact CG-CD2 3.9Å; R33-Y37 HydrophobicContact CG-CE2 3.91Å; R33-Y37 WeakPolarHBondContact O-CD2 3.28Å; R33-Y37 PolarHBondContact O-N 2.94Å |
| 34 | R | 71.5 | Confident | 65.4 | Low | 189 Ų | 189 | 111.2 Ų | 111.2 | 71% | 0.713 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -71.3 | -34.9 | 174.1 | -156.3 | 174.1 | -171.9 | 176.9 | 1.6 | 111.6 | L30 T31 Y37 R38 | L30-R34 WeakPolarHBondContact O-CB 3.33Å; L30-R34 PolarHBondContact O-N 2.94Å; T31-R34 PolarHBondContact O-N 2.97Å; R34-Y37 PolarHBondContact O-N 3.49Å; R34-R38 PolarHBondContact O-N 3.44Å |
| 35 | S | 51.7 | Low | 63.3 | Low | 67 Ų | 67 | 110.5 Ų | 110.5 | 47% | 0.469 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -57.5 | -48.9 | 164.7 | 164.3 | 0 | 0 | 0 | 0 | 110.6 | T31 R32 Y37 Y39 | T31-S35 VanDerWaalsContact O-CB 3.28Å; T31-S35 WeakPolarHBondContact O-CB 3.47Å; T31-S35 PolarHBondContact O-N 2.71Å; R32-S35 WeakPolarHBondContact O-CB 3.46Å; S35-Y37 PolarHBondContact O-N 3.02Å; S35-Y39 WeakPolarHBondContact O-CD2 3.37Å; S35-Y39 PolarHBondContact O-N 2.81Å |
| 36 | R | 63.1 | Low | 60.7 | Low | 171 Ų | 171 | 108.5 Ų | 108.5 | 65% | 0.645 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.3 | -32.5 | 176.8 | -68.2 | -174.3 | -163.8 | 179.5 | 4.5 | 114.8 | R32 R33 Y39 T40 | R32-R36 WeakPolarHBondContact O-CG 3.45Å; R32-R36 PolarHBondContact O-N 3.42Å; R33-R36 CarbonylContact O-C 3.56Å; R33-R36 PolarHBondContact O-N 3.17Å; R36-Y39 CarbonylContact O-C 3.37Å; R36-Y39 PolarHBondContact O-N 3.5Å; R36-T40 PolarHBondContact O-N 3.49Å; R36-T40 PolarHBondContact O-OG1 3.06Å |
| 37 | Y | 46 | Very low | 59 | Low | 112 Ų | 112 | 114.2 Ų | 114.2 | 44% | 0.439 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -74.1 | -33.2 | 177.9 | -93.9 | -73.4 | 0 | 0 | 0 | 113.2 | R33 R34 S35 Y39 T40 N41 | R33-Y37 HydrophobicContact CG-CD2 3.9Å; R33-Y37 HydrophobicContact CG-CE2 3.91Å; R33-Y37 WeakPolarHBondContact O-CD2 3.28Å; R33-Y37 PolarHBondContact O-N 2.94Å; R34-Y37 PolarHBondContact O-N 3.49Å; S35-Y37 PolarHBondContact O-N 3.02Å; Y37-Y39 PolarHBondContact O-N 3.2Å; Y37-T40 WeakPolarHBondContact CA-OG1 3.49Å; Y37-T40 PolarHBondContact O-N 2.88Å; Y37-T40 PolarHBondContact O-OG1 3.03Å; Y37-N41 WeakPolarHBondContact CD1-ND2 3.38Å; Y37-N41 WeakPolarHBondContact O-CB 3.3Å; Y37-N41 PolarHBondContact O-N 3.01Å |
| 38 | R | 50.6 | Low | 56.9 | Low | 160 Ų | 160 | 118.8 Ų | 118.8 | 60% | 0.604 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -61.5 | -31.7 | 167.7 | -81.2 | -172.9 | 173.7 | 178.5 | -3.4 | 111.6 | R34 | R34-R38 PolarHBondContact O-N 3.44Å |
| 39 | Y | 39.6 | Very low | 54.7 | Low | 149 Ų | 149 | 121.5 Ų | 121.5 | 58% | 0.584 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -81.7 | -7.6 | 175.6 | -88.7 | -80.6 | 0 | 0 | 0 | 115.5 | S35 R36 Y37 | S35-Y39 WeakPolarHBondContact O-CD2 3.37Å; S35-Y39 PolarHBondContact O-N 2.81Å; R36-Y39 CarbonylContact O-C 3.37Å; R36-Y39 PolarHBondContact O-N 3.5Å; Y37-Y39 PolarHBondContact O-N 3.2Å |
| 40 | T | 50 | Low | 52.2 | Low | 72 Ų | 72 | 123.4 Ų | 123.4 | 44% | 0.442 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -117.9 | -23 | -180 | 38 | 0 | 0 | 0 | 0 | 113.9 | R36 Y37 Q43 | R36-T40 PolarHBondContact O-N 3.49Å; R36-T40 PolarHBondContact O-OG1 3.06Å; Y37-T40 WeakPolarHBondContact CA-OG1 3.49Å; Y37-T40 PolarHBondContact O-N 2.88Å; Y37-T40 PolarHBondContact O-OG1 3.03Å; T40-Q43 PolarHBondContact O-N 2.98Å |
| 41 | N | 45.4 | Very low | 50 | Low | 88 Ų | 88 | 128.4 Ų | 128.4 | 47% | 0.471 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -88.1 | -19.1 | -179.7 | -78 | -33.5 | 0 | 0 | 0 | 114.9 | Y37 Q43 A44 A45 | Y37-N41 WeakPolarHBondContact CD1-ND2 3.38Å; Y37-N41 WeakPolarHBondContact O-CB 3.3Å; Y37-N41 PolarHBondContact O-N 3.01Å; N41-Q43 PolarHBondContact O-N 3.18Å; N41-A44 PolarHBondContact O-N 3.33Å; N41-A44 VanDerWaalsContact O-N 3.14Å; N41-A45 WeakPolarHBondContact O-CB 3.48Å; N41-A45 PolarHBondContact O-N 3.46Å; N41-A45 VanDerWaalsContact O-N 3.07Å |
| 42 | L | 43.5 | Very low | 48.1 | Very low | 101 Ų | 101 | 130.9 Ų | 130.9 | 53% | 0.529 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63 | -28.7 | 164.1 | -101.3 | 98.3 | 0 | 0 | 0 | 111.4 | A44 | L42-A44 VanDerWaalsContact C-N 3.28Å; L42-A44 PolarHBondContact O-N 2.75Å |
| 43 | Q | 44 | Very low | 45.9 | Very low | 155 Ų | 155 | 133.7 Ų | 133.7 | 72% | 0.724 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -10.4 | 174.7 | -76.4 | -176.6 | -30.4 | 0 | 0 | 114.2 | T40 N41 | T40-Q43 PolarHBondContact O-N 2.98Å; N41-Q43 PolarHBondContact O-N 3.18Å |
| 44 | A | 45.5 | Very low | 43.7 | Very low | 59 Ų | 59 | 131.5 Ų | 131.5 | 49% | 0.488 | 63% | 0.633 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -110 | -24.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | N41 L42 T46 | N41-A44 PolarHBondContact O-N 3.33Å; N41-A44 VanDerWaalsContact O-N 3.14Å; L42-A44 VanDerWaalsContact C-N 3.28Å; L42-A44 PolarHBondContact O-N 2.75Å; A44-T46 PolarHBondContact O-N 3.35Å |
| 45 | A | 42.4 | Very low | 42.1 | Very low | 75 Ų | 75 | 128.7 Ų | 128.7 | 62% | 0.62 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -11.4 | -165.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | N41 | N41-A45 WeakPolarHBondContact O-CB 3.48Å; N41-A45 PolarHBondContact O-N 3.46Å; N41-A45 VanDerWaalsContact O-N 3.07Å |
| 46 | T | 35.2 | Very low | 41.1 | Very low | 49 Ų | 49 | 133.4 Ų | 133.4 | 30% | 0.301 | 65% | 0.652 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -117.3 | 6 | 177.7 | 35.1 | 0 | 0 | 0 | 0 | 113.7 | A44 H48 F246 | A44-T46 PolarHBondContact O-N 3.35Å; T46-H48 PolarHBondContact O-N 3.11Å; T46-F246 HydrophobicContact CG2-CD1 4.38Å; T46-F246 HydrophobicContact CG2-CE1 4.22Å; T46-F246 WeakPolarHBondContact OG1-CD1 3.28Å; T46-F246 WeakPolarHBondContact OG1-CE1 3.31Å; T46-F246 WeakPolarHBondContact OG1-CZ 3.45Å |
| 47 | F | 47.7 | Very low | 39.6 | Very low | 173 Ų | 173 | 131.9 Ų | 131.9 | 76% | 0.759 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | 3.7 | 158.3 | -131.8 | -91.2 | 0 | 0 | 0 | 112.7 | ||
| 48 | H | 42.4 | Very low | 39.2 | Very low | 176 Ų | 176 | 134.7 Ų | 134.7 | 82% | 0.815 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.2 | 28 | -172.4 | -137.3 | -59.3 | 0 | 0 | 0 | 115.8 | T46 | T46-H48 PolarHBondContact O-N 3.11Š|
| 49 | Q | 35.5 | Very low | 38.2 | Very low | 134 Ų | 134 | 132.7 Ų | 132.7 | 63% | 0.626 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -113.2 | 112.5 | 165.6 | -153.7 | 164.6 | -17.1 | 0 | 0 | 111.2 | R245 | Q49-R245 PolarHBondContact O-NH2 2.96Š|
| 50 | E | 34.1 | Very low | 38.1 | Very low | 144 Ų | 144 | 132.6 Ų | 132.6 | 67% | 0.673 | 70% | 0.698 | S | S | * | * | trans | 70.1 | 89.1 | 161.7 | -71.9 | 177.6 | 147 | 0 | 0 | 119.5 | L52 | E50-L52 HydrophobicContact CB-CD1 4.17Å; E50-L52 HydrophobicContact CB-CG 4.24Å; E50-L52 HydrophobicContact CG-CD1 4.35Å; E50-L52 PolarHBondContact O-N 2.85Å | ||
| 51 | K | 34 | Very low | 37.6 | Very low | 219 Ų | 219 | 133.1 Ų | 133.1 | 95% | 0.952 | 71% | 0.705 | S | S | * | * | trans | -49.8 | 84.5 | 134.8 | -173 | -180 | -174.7 | 179.2 | 0 | 109.9 | ||||
| 52 | L | 38 | Very low | 37 | Very low | 132 Ų | 132 | 133.7 Ų | 133.7 | 69% | 0.691 | 72% | 0.715 | S | S | * | * | trans | -114.5 | 139.1 | 162 | -81.1 | 167.4 | 0 | 0 | 0 | 109.6 | E50 | E50-L52 HydrophobicContact CB-CD1 4.17Å; E50-L52 HydrophobicContact CB-CG 4.24Å; E50-L52 HydrophobicContact CG-CD1 4.35Å; E50-L52 PolarHBondContact O-N 2.85Å | ||
| 53 | R | 30.4 | Very low | 36.8 | Very low | 229 Ų | 229 | 138.2 Ų | 138.2 | 86% | 0.864 | 73% | 0.731 | S | S | * | * | trans | -56.5 | 141 | -156.2 | -70.4 | 169.2 | 170.8 | 147.6 | -4.3 | 114.3 | T55 | R53-T55 PolarHBondContact O-N 3.19Š| ||
| 54 | A | 28 | Very low | 36.5 | Very low | 107 Ų | 107 | 139 Ų | 139 | 88% | 0.884 | 73% | 0.732 | S | S | * | * | trans | -51.8 | 118.4 | 155.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 55 | T | 37 | Very low | 36 | Very low | 131 Ų | 131 | 143.6 Ų | 143.6 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | trans | -130.9 | 119.8 | 162.3 | -20.1 | 0 | 0 | 0 | 0 | 107.8 | R53 | R53-T55 PolarHBondContact O-N 3.19Š| ||
| 56 | E | 30.4 | Very low | 35.9 | Very low | 166 Ų | 166 | 144.7 Ų | 144.7 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | trans | -41.1 | 133.6 | 178 | -167.8 | 179.1 | 156.5 | 0 | 0 | 114.3 | K58 | E56-K58 PolarHBondContact O-N 3.13Š| ||
| 57 | V | 31.6 | Very low | 36.1 | Very low | 138 Ų | 138 | 147.5 Ų | 147.5 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | trans | -75.5 | 114.5 | 169.7 | 179 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 58 | K | 38 | Very low | 35.5 | Very low | 171 Ų | 171 | 142.6 Ų | 142.6 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | trans | -97.1 | 135.1 | 159.1 | -82.9 | -177.2 | 177.7 | 175.4 | 0 | 109.6 | E56 | E56-K58 PolarHBondContact O-N 3.13Š| ||
| 59 | P | 30.1 | Very low | 35.3 | Very low | 119 Ų | 119 | 140.9 Ų | 140.9 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | -76.2 | 133.6 | 176.6 | 32.1 | -30.8 | 0 | 0 | 0 | 108.9 | S61 | P59-S61 PolarHBondContact O-N 2.66Š| ||
| 60 | V | 37.4 | Very low | 35.2 | Very low | 147 Ų | 147 | 138.1 Ų | 138.1 | 89% | 0.891 | 80% | 0.796 | S | S | * | * | trans | -86.4 | 107.1 | 170.3 | 179.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 61 | S | 39.6 | Very low | 35.3 | Very low | 83 Ų | 83 | 134.8 Ų | 134.8 | 58% | 0.58 | 80% | 0.8 | S | S | * | * | trans | -62.2 | 143.7 | 168.4 | 49.6 | 0 | 0 | 0 | 0 | 112.8 | P59 | P59-S61 PolarHBondContact O-N 2.66Š| ||
| 62 | S | 31.7 | Very low | 35.6 | Very low | 99 Ų | 99 | 132.8 Ų | 132.8 | 69% | 0.692 | 80% | 0.799 | S | S | * | * | trans | -34 | 129.8 | 161.5 | -178.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 63 | F | 39.5 | Very low | 35.7 | Very low | 196 Ų | 196 | 136 Ų | 136 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | -128.9 | 116.8 | 153 | -86.4 | -81.4 | 0 | 0 | 0 | 109.9 | ||||
| 64 | K | 37.3 | Very low | 36 | Very low | 173 Ų | 173 | 134.9 Ų | 134.9 | 75% | 0.752 | 81% | 0.809 | S | S | * | * | trans | -71.2 | 138.4 | 162.7 | -61.2 | 172.7 | 175.1 | 176.9 | 0 | 108.6 | ||||
| 65 | N | 36 | Very low | 36.5 | Very low | 155 Ų | 155 | 135.4 Ų | 135.4 | 83% | 0.829 | 81% | 0.806 | S | S | * | * | 162.2 | 136.9 | 118.5 | -80 | -18.5 | 0 | 0 | 0 | 113 | |||||
| 66 | A | 39.2 | Very low | 36.3 | Very low | 97 Ų | 97 | 134.8 Ų | 134.8 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | trans | 77.6 | 103.1 | 142.6 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 67 | A | 39.7 | Very low | 36.6 | Very low | 108 Ų | 108 | 132.7 Ų | 132.7 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | 70 | 122.7 | 121.4 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 68 | G | 36.8 | Very low | 36.7 | Very low | 71 Ų | 71 | 131.6 Ų | 131.6 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | trans | 108.7 | 136.7 | 148.6 | 0 | 0 | 0 | 0 | 0 | 116 | G70 | G68-G70 PolarHBondContact O-N 3.35Š| ||
| 69 | P | 37.9 | Very low | 36.7 | Very low | 139 Ų | 139 | 132.6 Ų | 132.6 | 90% | 0.903 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 123.2 | -152.5 | 32 | -33.6 | 0 | 0 | 0 | 113.3 | ||
| 70 | G | 33.6 | Very low | 36.7 | Very low | 76 Ų | 76 | 136.6 Ų | 136.6 | 78% | 0.784 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 116.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | G68 | G68-G70 PolarHBondContact O-N 3.35Š|
| 71 | G | 35.3 | Very low | 36.7 | Very low | 74 Ų | 74 | 134.8 Ų | 134.8 | 76% | 0.763 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 125 | 154.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | K73 | G71-K73 PolarHBondContact O-N 3.15Š|
| 72 | L | 40 | Very low | 36.7 | Very low | 177 Ų | 177 | 136.9 Ų | 136.9 | 93% | 0.927 | 83% | 0.827 | S | S | * | * | trans | -72.2 | 94.1 | 179.5 | -78.8 | 160 | 0 | 0 | 0 | 110.8 | ||||
| 73 | K | 39.4 | Very low | 36.9 | Very low | 199 Ų | 199 | 141.1 Ų | 141.1 | 87% | 0.865 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 118.9 | 157.9 | -73.1 | -175.4 | 176.1 | -178.6 | 0 | 108.7 | G71 | G71-K73 PolarHBondContact O-N 3.15Š|
| 74 | K | 37.9 | Very low | 36.8 | Very low | 207 Ų | 207 | 139.7 Ų | 139.7 | 90% | 0.9 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 128.2 | 171.1 | -73 | 176.3 | 177.1 | 174.5 | 0 | 110.1 | ||
| 75 | S | 39.2 | Very low | 36.9 | Very low | 117 Ų | 117 | 138.4 Ų | 138.4 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 134.4 | 166.5 | -48.3 | 0 | 0 | 0 | 0 | 110.1 | ||
| 76 | P | 32.5 | Very low | 36.7 | Very low | 118 Ų | 118 | 138.9 Ų | 138.9 | 77% | 0.766 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 152.1 | -174.4 | 36.8 | -32.3 | 0 | 0 | 0 | 113.1 | ||
| 77 | S | 36.2 | Very low | 36.8 | Very low | 122 Ų | 122 | 141.4 Ų | 141.4 | 85% | 0.853 | 84% | 0.838 | S | S | * | * | trans | -165.5 | 152.1 | 161.5 | -82.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 78 | P | 34.5 | Very low | 36.3 | Very low | 115 Ų | 115 | 143.8 Ų | 143.8 | 75% | 0.747 | 84% | 0.836 | S | S | * | * | -120.9 | 152.9 | -117.1 | 39 | -29.8 | 0 | 0 | 0 | 115 | |||||
| 79 | M | 36.8 | Very low | 36.3 | Very low | 193 Ų | 193 | 144.7 Ų | 144.7 | 95% | 0.951 | 83% | 0.831 | S | S | * | * | trans | 175.4 | 106.6 | 140.4 | -100.2 | 167.1 | 69.5 | 0 | 0 | 109 | ||||
| 80 | Q | 31.1 | Very low | 36.3 | Very low | 203 Ų | 203 | 144.5 Ų | 144.5 | 95% | 0.949 | 83% | 0.827 | S | S | * | * | trans | -93.2 | 137.3 | 167.2 | -84.4 | 174.9 | -17.9 | 0 | 0 | 109.1 | ||||
| 81 | S | 37.2 | Very low | 36.3 | Very low | 109 Ų | 109 | 144.9 Ų | 144.9 | 76% | 0.762 | 82% | 0.823 | S | S | * | * | trans | -116.7 | 145.9 | 154.2 | 52.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 82 | P | 39.3 | Very low | 36.3 | Very low | 126 Ų | 126 | 146.6 Ų | 146.6 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 135.9 | -149 | -9 | 25.8 | 0 | 0 | 0 | 113.5 | ||
| 83 | E | 35.4 | Very low | 36.1 | Very low | 189 Ų | 189 | 147.3 Ų | 147.3 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 127.2 | 158.9 | -77.4 | 176 | 154.1 | 0 | 0 | 108.8 | ||
| 84 | N | 37.4 | Very low | 35.6 | Very low | 166 Ų | 166 | 146.3 Ų | 146.3 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 135.2 | 165.7 | -96.9 | -31.1 | 0 | 0 | 0 | 109.3 | ||
| 85 | I | 39.9 | Very low | 35.5 | Very low | 145 Ų | 145 | 144.8 Ų | 144.8 | 74% | 0.744 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -78 | 131.5 | -171.1 | -65.1 | 163 | 0 | 0 | 0 | 110.1 | I87 | I85-I87 HydrophobicContact CG2-CD1 4.42Å; I85-I87 HydrophobicContact CG2-CG1 3.87Å |
| 86 | D | 31.4 | Very low | 35.2 | Very low | 165 Ų | 165 | 147.5 Ų | 147.5 | 88% | 0.882 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 123.3 | 160.7 | -80.4 | -42 | 0 | 0 | 0 | 109.6 | ||
| 87 | I | 41.6 | Very low | 35.2 | Very low | 150 Ų | 150 | 147.9 Ų | 147.9 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | trans | -124.2 | 106 | 160.1 | -58.2 | -178.1 | 0 | 0 | 0 | 107.3 | I85 | I85-I87 HydrophobicContact CG2-CD1 4.42Å; I85-I87 HydrophobicContact CG2-CG1 3.87Å | ||
| 88 | D | 30 | Very low | 35.2 | Very low | 159 Ų | 159 | 152 Ų | 152 | 85% | 0.85 | 82% | 0.821 | S | S | * | * | trans | -81.5 | 125 | 164.7 | -159.7 | 11.7 | 0 | 0 | 0 | 108 | ||||
| 89 | S | 36.6 | Very low | 35 | Very low | 90 Ų | 90 | 153.9 Ų | 153.9 | 63% | 0.629 | 82% | 0.824 | S | S | * | * | trans | 175.6 | 109.9 | 142.1 | 71.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 90 | T | 36.7 | Very low | 35 | Very low | 135 Ų | 135 | 153 Ų | 153 | 83% | 0.828 | 82% | 0.824 | S | S | * | * | 59.9 | 123.4 | 128.1 | -12 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 91 | A | 34.3 | Very low | 35 | Very low | 84 Ų | 84 | 154 Ų | 154 | 69% | 0.694 | 82% | 0.819 | S | S | * | * | 112.7 | 116.6 | 129.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 92 | C | 35.1 | Very low | 35 | Very low | 109 Ų | 109 | 158.3 Ų | 158.3 | 74% | 0.736 | 83% | 0.829 | S | S | * | * | trans | 96.3 | 103.9 | 134.3 | -69.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 93 | K | 35.5 | Very low | 34.5 | Very low | 192 Ų | 192 | 160.1 Ų | 160.1 | 84% | 0.835 | 83% | 0.827 | S | S | * | * | 82.3 | 115 | 121.8 | -68.4 | -177.3 | 178.1 | -178.3 | 0 | 120.2 | |||||
| 94 | E | 28.6 | Very low | 34.5 | Very low | 179 Ų | 179 | 155.1 Ų | 155.1 | 84% | 0.836 | 82% | 0.818 | S | S | * | * | trans | -8.2 | 138.8 | 144.9 | -72.9 | 171.1 | 128.5 | 0 | 0 | 118.1 | ||||
| 95 | I | 36.2 | Very low | 34.3 | Very low | 175 Ų | 175 | 152.6 Ų | 152.6 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | -159.5 | 140.5 | 124.7 | -87.4 | 140.9 | 0 | 0 | 0 | 109.1 | |||||
| 96 | Q | 32.6 | Very low | 33.9 | Very low | 174 Ų | 174 | 153.1 Ų | 153.1 | 81% | 0.813 | 82% | 0.816 | S | S | * | * | trans | -71.9 | 166.1 | -174.4 | -66.1 | -175.4 | -7.6 | 0 | 0 | 115.4 | ||||
| 97 | P | 33 | Very low | 33.8 | Very low | 125 Ų | 125 | 150.3 Ų | 150.3 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | trans | -91.3 | 150.4 | -179.7 | 36.1 | -30.7 | 0 | 0 | 0 | 113 | ||||
| 98 | K | 36.3 | Very low | 33.3 | Very low | 210 Ų | 210 | 151.8 Ų | 151.8 | 91% | 0.913 | 81% | 0.813 | S | S | * | * | trans | -119.5 | 129.5 | 164.9 | -88.4 | -175.4 | 175.3 | 179.6 | 0 | 110.6 | ||||
| 99 | N | 30.1 | Very low | 33.1 | Very low | 153 Ų | 153 | 149.7 Ų | 149.7 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -58.9 | 150.3 | 165.2 | -74 | -29.2 | 0 | 0 | 0 | 111.1 | ||||
| 100 | D | 37.1 | Very low | 32.8 | Very low | 175 Ų | 175 | 152 Ų | 152 | 94% | 0.936 | 82% | 0.82 | S | S | * | * | trans | -151.9 | 148.7 | 134.6 | -92.4 | -34 | 0 | 0 | 0 | 111.4 | ||||
| 101 | R | 31.2 | Very low | 32.2 | Very low | 224 Ų | 224 | 151.4 Ų | 151.4 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | trans | -117.3 | 134.8 | -159.3 | -172.7 | -174.7 | -170.9 | 178.8 | 1.3 | 106.8 | ||||
| 102 | M | 36.1 | Very low | 32.1 | Very low | 199 Ų | 199 | 156.6 Ų | 156.6 | 98% | 0.98 | 83% | 0.826 | S | S | * | * | trans | -151.3 | 148.5 | 156.9 | -122 | 171.7 | 90.7 | 0 | 0 | 111.7 | ||||
| 103 | E | 29.4 | Very low | 32 | Very low | 165 Ų | 165 | 156.7 Ų | 156.7 | 77% | 0.771 | 83% | 0.828 | S | S | * | * | trans | -124.2 | 162.2 | -148.5 | -165 | 174.6 | -148.3 | 0 | 0 | 109.5 | ||||
| 104 | A | 35.1 | Very low | 31.6 | Very low | 84 Ų | 84 | 155.2 Ų | 155.2 | 69% | 0.694 | 83% | 0.829 | S | S | * | * | trans | 94.8 | 135 | 146.6 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 105 | S | 34.2 | Very low | 31.7 | Very low | 113 Ų | 113 | 155.8 Ų | 155.8 | 79% | 0.79 | 83% | 0.832 | S | S | * | * | trans | 89.7 | 142.3 | 145.6 | 76.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 106 | L | 30 | Very low | 31.4 | Very low | 155 Ų | 155 | 156.3 Ų | 156.3 | 81% | 0.812 | 83% | 0.83 | S | S | * | * | cis | 177.2 | 143.5 | -31.2 | -116.7 | 164 | 0 | 0 | 0 | 104.4 | ||||
| 107 | S | 29.4 | Very low | 31.2 | Very low | 106 Ų | 106 | 157.3 Ų | 157.3 | 74% | 0.741 | 83% | 0.832 | S | S | * | * | trans | 62.9 | 145.2 | 163.2 | 54.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 108 | E | 32.6 | Very low | 31.2 | Very low | 182 Ų | 182 | 162.3 Ų | 162.3 | 85% | 0.85 | 84% | 0.836 | S | S | * | * | cis | -165 | 147.6 | 28.5 | -141.6 | 164.9 | -168.9 | 0 | 0 | 111 | ||||
| 109 | C | 24.6 | Very low | 31 | Very low | 114 Ų | 114 | 157 Ų | 157 | 77% | 0.77 | 83% | 0.826 | S | S | * | * | trans | 5.5 | 134.9 | 159.3 | -133 | 0 | 0 | 0 | 0 | 122 | ||||
| 110 | V | 30.6 | Very low | 31.1 | Very low | 139 Ų | 139 | 154.4 Ų | 154.4 | 84% | 0.842 | 83% | 0.825 | S | S | * | * | -164.8 | 130.5 | 116.1 | 172.8 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 111 | T | 25 | Very low | 31 | Very low | 122 Ų | 122 | 152 Ų | 152 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | trans | -70.5 | 131.4 | 172 | 42 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 112 | E | 32 | Very low | 30.9 | Very low | 194 Ų | 194 | 147.6 Ų | 147.6 | 91% | 0.907 | 80% | 0.804 | S | S | * | * | trans | -158.7 | 156.3 | 150 | -118.5 | 171 | -158.8 | 0 | 0 | 112.3 | ||||
| 113 | S | 32.9 | Very low | 30.8 | Very low | 110 Ų | 110 | 146.8 Ų | 146.8 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -70.2 | 148.4 | -153.8 | 42.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 114 | N | 25.8 | Very low | 31 | Very low | 161 Ų | 161 | 147.1 Ų | 147.1 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | trans | -32.5 | 122.8 | 160.3 | -137.6 | 3.9 | 0 | 0 | 0 | 114.9 | ||||
| 115 | E | 31.9 | Very low | 31.1 | Very low | 191 Ų | 191 | 151.3 Ų | 151.3 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | trans | -153.7 | 131 | 150.2 | -115.6 | 179.7 | -161.1 | 0 | 0 | 111.7 | ||||
| 116 | Q | 29.9 | Very low | 31.6 | Very low | 186 Ų | 186 | 151.5 Ų | 151.5 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | trans | -64.6 | 132.1 | -170.6 | -69.5 | 163.5 | -47.5 | 0 | 0 | 112.6 | ||||
| 117 | K | 28.5 | Very low | 32.5 | Very low | 196 Ų | 196 | 151.3 Ų | 151.3 | 85% | 0.852 | 78% | 0.782 | S | S | * | * | trans | -125 | 69.6 | 169.3 | -153.6 | 174.8 | -172 | 176.3 | 0 | 110.5 | S119 | K117-S119 PolarHBondContact O-N 3.01Š| ||
| 118 | Y | 31.6 | Very low | 33.7 | Very low | 230 Ų | 230 | 146.9 Ų | 146.9 | 90% | 0.902 | 75% | 0.753 | S | S | * | * | trans | -80.6 | 93 | 154.6 | -84.7 | -81 | 0 | 0 | 0 | 107.3 | ||||
| 119 | S | 32.6 | Very low | 34.9 | Very low | 98 Ų | 98 | 142 Ų | 142 | 69% | 0.685 | 74% | 0.735 | S | S | * | * | trans | -56.8 | 135 | 171.6 | 50 | 0 | 0 | 0 | 0 | 110.5 | K117 I121 | K117-S119 PolarHBondContact O-N 3.01Å; S119-I121 PolarHBondContact O-N 3.18Å | ||
| 120 | A | 32.8 | Very low | 36.4 | Very low | 98 Ų | 98 | 141.1 Ų | 141.1 | 81% | 0.81 | 72% | 0.72 | S | S | * | * | trans | -45 | 126.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | D122 | A120-D122 PolarHBondContact O-N 3.31Š| ||
| 121 | I | 35.4 | Very low | 37.9 | Very low | 126 Ų | 126 | 135.3 Ų | 135.3 | 65% | 0.646 | 68% | 0.684 | S | S | * | * | trans | -66.3 | 112.1 | 165.9 | -63.2 | 167.1 | 0 | 0 | 0 | 106.8 | S119 W123 | S119-I121 PolarHBondContact O-N 3.18Å; I121-W123 HydrophobicContact CG2-CD2 4.48Å; I121-W123 HydrophobicContact CG2-CZ2 4.48Å; I121-W123 VanDerWaalsContact O-CD1 3.28Å; I121-W123 PolarHBondContact O-N 3.5Å | ||
| 122 | D | 29.3 | Very low | 39.6 | Very low | 130 Ų | 130 | 131 Ų | 131 | 70% | 0.695 | 66% | 0.656 | S | S | * | * | trans | -65.6 | 105 | 169.6 | -173.6 | 27.5 | 0 | 0 | 0 | 108.5 | A120 K124 | A120-D122 PolarHBondContact O-N 3.31Å; D122-K124 PolarHBondContact O-N 2.9Å; D122-K124 VanDerWaalsContact O-N 3.11Å | ||
| 123 | W | 32.5 | Very low | 41 | Very low | 183 Ų | 183 | 124.9 Ų | 124.9 | 69% | 0.693 | 63% | 0.629 | S | S | * | * | trans | -79.6 | 87.3 | 173.3 | -60.4 | 92.6 | 0 | 0 | 0 | 107.8 | I121 E125 | I121-W123 HydrophobicContact CG2-CD2 4.48Å; I121-W123 HydrophobicContact CG2-CZ2 4.48Å; I121-W123 VanDerWaalsContact O-CD1 3.28Å; I121-W123 PolarHBondContact O-N 3.5Å; W123-E125 PolarHBondContact O-N 3.2Å | ||
| 124 | K | 34.7 | Very low | 42.1 | Very low | 171 Ų | 171 | 122.3 Ų | 122.3 | 74% | 0.743 | 61% | 0.605 | S | S | * | * | trans | -65.4 | 123.7 | 157 | -81 | -176.9 | 176.2 | 176.2 | 0 | 107.5 | D122 D126 | D122-K124 PolarHBondContact O-N 2.9Å; D122-K124 VanDerWaalsContact O-N 3.11Å; K124-D126 PolarHBondContact O-N 3.21Å | ||
| 125 | E | 37.3 | Very low | 43.7 | Very low | 173 Ų | 173 | 115.2 Ų | 115.2 | 81% | 0.808 | 57% | 0.567 | S | S | * | * | trans | -61.9 | 83.8 | 170.3 | -71.1 | 173.4 | 166.5 | 0 | 0 | 108.2 | W123 | W123-E125 PolarHBondContact O-N 3.2Š| ||
| 126 | D | 43.1 | Very low | 44.9 | Very low | 116 Ų | 116 | 108.4 Ų | 108.4 | 62% | 0.62 | 54% | 0.543 | S | S | * | . | trans | -79.5 | 120.9 | 174.4 | -165.3 | 2.8 | 0 | 0 | 0 | 106.8 | K124 G128 V129 | K124-D126 PolarHBondContact O-N 3.21Å; D126-G128 PolarHBondContact O-N 3.37Å; D126-V129 HydrophobicContact CB-CG2 4.39Å; D126-V129 PolarHBondContact O-N 3.25Å | ||
| 127 | E | 49.7 | Very low | 46 | Very low | 151 Ų | 151 | 107.3 Ų | 107.3 | 71% | 0.706 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -49.1 | -23.5 | 179.2 | -69.4 | -170.8 | 170.5 | 0 | 0 | 112.5 | V129 | E127-V129 VanDerWaalsContact C-N 3.31Å; E127-V129 PolarHBondContact O-N 3.41Å |
| 128 | G | 54.6 | Low | 47.3 | Very low | 14 Ų | 14 | 102.3 Ų | 102.3 | 14% | 0.144 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -65.8 | -22.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | D126 D132 K342 | D126-G128 PolarHBondContact O-N 3.37Å; G128-D132 WeakPolarHBondContact O-CB 3.44Å; G128-D132 PolarHBondContact O-N 3.4Å; G128-K342 PolarHBondContact O-NZ 3.36Å |
| 129 | V | 57.2 | Low | 48.2 | Very low | 78 Ų | 78 | 95.6 Ų | 95.6 | 47% | 0.473 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -75.2 | -40.3 | -179.3 | 179.3 | 0 | 0 | 0 | 0 | 111 | D126 E127 D132 I133 | D126-V129 HydrophobicContact CB-CG2 4.39Å; D126-V129 PolarHBondContact O-N 3.25Å; E127-V129 VanDerWaalsContact C-N 3.31Å; E127-V129 PolarHBondContact O-N 3.41Å; V129-D132 PolarHBondContact O-N 3.41Å; V129-I133 HydrophobicContact CG1-CD1 3.95Å; V129-I133 HydrophobicContact CG1-CG1 4.49Å; V129-I133 VanDerWaalsContact O-CG1 3.3Å; V129-I133 WeakPolarHBondContact O-CG1 3.39Å; V129-I133 PolarHBondContact O-N 3.14Å |
| 130 | E | 58.2 | Low | 49.1 | Very low | 97 Ų | 97 | 101.3 Ų | 101.3 | 45% | 0.453 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.4 | -42.6 | 179.8 | -170.6 | 162.4 | -136.6 | 0 | 0 | 111.6 | D132 I133 E134 L247 | E130-D132 PolarHBondContact O-N 3.37Å; E130-I133 PolarHBondContact O-N 3.45Å; E130-E134 WeakPolarHBondContact O-CB 3.26Å; E130-E134 PolarHBondContact O-N 2.84Å; E130-L247 VanDerWaalsContact CD-CD2 3.49Å; E130-L247 WeakPolarHBondContact OE1-CD2 3.43Å |
| 131 | E | 61 | Low | 49.7 | Very low | 17 Ų | 17 | 100 Ų | 100 | 8% | 0.079 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -57.2 | -40.8 | 172.2 | -166.7 | -176.1 | -134.8 | 0 | 0 | 110.8 | E134 I135 R248 K330 N390 | E131-E134 PolarHBondContact O-N 3.29Å; E131-I135 HydrophobicContact CG-CD1 4.05Å; E131-I135 WeakPolarHBondContact O-CB 3.31Å; E131-I135 WeakPolarHBondContact O-CD1 3.32Å; E131-I135 WeakPolarHBondContact O-CG1 3.11Å; E131-I135 PolarHBondContact O-N 3.18Å; E131-R248 IonicContact OE1-CZ 2.88Å; E131-R248 IonicContact OE1-NH1 3.73Å; E131-R248 PolarHBondContact OE1-NH1 3.02Å; E131-R248 IonicContact OE1-NH2 2.84Å; E131-K330 IonicContact OE2-NZ 2.79Å; E131-K330 PolarHBondContact OE2-NZ 2.72Å; E131-N390 PolarHBondContact OE1-ND2 3.07Å |
| 132 | D | 61.7 | Low | 50.1 | Low | 30 Ų | 30 | 98 Ų | 98 | 16% | 0.16 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -70.6 | -36.9 | 179.5 | -68.6 | -4.2 | 0 | 0 | 0 | 112.5 | G128 V129 E130 A136 K330 Y332 K342 | G128-D132 WeakPolarHBondContact O-CB 3.44Å; G128-D132 PolarHBondContact O-N 3.4Å; V129-D132 PolarHBondContact O-N 3.41Å; E130-D132 PolarHBondContact O-N 3.37Å; D132-A136 WeakPolarHBondContact O-CB 3.39Å; D132-A136 PolarHBondContact O-N 2.91Å; D132-A136 VanDerWaalsContact O-N 3.08Å; D132-K330 IonicContact OD1-NZ 3.91Å; D132-K330 PolarHBondContact OD1-NZ 2.83Å; D132-Y332 PolarHBondContact OD1-OH 2.88Å; D132-Y332 WeakPolarHBondContact OD2-CE1 3.23Å; D132-Y332 PolarHBondContact OD2-OH 2.91Å; D132-K342 IonicContact OD1-NZ 2.66Å; D132-K342 PolarHBondContact OD1-NZ 2.69Å; D132-K342 IonicContact OD2-NZ 3.25Å; D132-K342 PolarHBondContact OD2-NZ 3.2Å |
| 133 | I | 59.6 | Low | 50.9 | Low | 66 Ų | 66 | 100.2 Ų | 100.2 | 34% | 0.338 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66 | -45.1 | 174.2 | -70.2 | 165.6 | 0 | 0 | 0 | 110.2 | V129 E130 A136 Y137 | V129-I133 HydrophobicContact CG1-CD1 3.95Å; V129-I133 HydrophobicContact CG1-CG1 4.49Å; V129-I133 VanDerWaalsContact O-CG1 3.3Å; V129-I133 WeakPolarHBondContact O-CG1 3.39Å; V129-I133 PolarHBondContact O-N 3.14Å; E130-I133 PolarHBondContact O-N 3.45Å; I133-A136 WeakPolarHBondContact O-CB 3.2Å; I133-A136 PolarHBondContact O-N 3.22Å; I133-Y137 HydrophobicContact CG2-CD2 3.81Å; I133-Y137 HydrophobicContact CG2-CE2 3.96Å; I133-Y137 WeakPolarHBondContact O-CD2 3.41Å; I133-Y137 PolarHBondContact O-N 3.42Å |
| 134 | E | 57.2 | Low | 51.5 | Low | 57 Ų | 57 | 100.1 Ų | 100.1 | 27% | 0.266 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.7 | -39.6 | -176.6 | -157.6 | -173.3 | -156.9 | 0 | 0 | 111.4 | E130 E131 A136 Y137 E138 K389 | E130-E134 WeakPolarHBondContact O-CB 3.26Å; E130-E134 PolarHBondContact O-N 2.84Å; E131-E134 PolarHBondContact O-N 3.29Å; E134-A136 VanDerWaalsContact C-N 3.31Å; E134-A136 PolarHBondContact O-N 3.01Å; E134-Y137 PolarHBondContact O-N 2.86Å; E134-Y137 VanDerWaalsContact O-N 3.16Å; E134-E138 WeakPolarHBondContact O-CG 3.31Å; E134-E138 PolarHBondContact O-N 2.78Å; E134-K389 VanDerWaalsContact CD-NZ 3.3Å; E134-K389 WeakPolarHBondContact OE2-CE 3.49Å; E134-K389 IonicContact OE2-NZ 2.76Å; E134-K389 PolarHBondContact OE2-NZ 3Å |
| 135 | I | 59.3 | Low | 52.3 | Low | 12 Ų | 12 | 95.5 Ų | 95.5 | 6% | 0.062 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -57.2 | -46 | 169.4 | -69.7 | 164.5 | 0 | 0 | 0 | 110 | E131 Y137 E138 M139 M382 V392 | E131-I135 HydrophobicContact CG-CD1 4.05Å; E131-I135 WeakPolarHBondContact O-CB 3.31Å; E131-I135 WeakPolarHBondContact O-CD1 3.32Å; E131-I135 WeakPolarHBondContact O-CG1 3.11Å; E131-I135 PolarHBondContact O-N 3.18Å; I135-Y137 VanDerWaalsContact C-N 3.26Å; I135-Y137 PolarHBondContact O-N 3.47Å; I135-E138 PolarHBondContact O-N 2.96Å; I135-M139 HydrophobicContact CG2-CG 4.41Å; I135-M139 HydrophobicContact CG2-SD 4.12Å; I135-M139 VanDerWaalsContact O-CG 3.25Å; I135-M139 WeakPolarHBondContact O-CG 3.35Å; I135-M139 PolarHBondContact O-N 2.89Å; I135-M382 HydrophobicContact CD1-CE 4.04Å; I135-V392 HydrophobicContact CG2-CG2 3.74Å |
| 136 | A | 56.5 | Low | 53.4 | Low | 48 Ų | 48 | 90.7 Ų | 90.7 | 40% | 0.397 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.4 | -31 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | D132 I133 E134 R140 | D132-A136 WeakPolarHBondContact O-CB 3.39Å; D132-A136 PolarHBondContact O-N 2.91Å; D132-A136 VanDerWaalsContact O-N 3.08Å; I133-A136 WeakPolarHBondContact O-CB 3.2Å; I133-A136 PolarHBondContact O-N 3.22Å; E134-A136 VanDerWaalsContact C-N 3.31Å; E134-A136 PolarHBondContact O-N 3.01Å; A136-R140 WeakPolarHBondContact O-CG 3.37Å |
| 137 | Y | 54 | Low | 54.9 | Low | 162 Ų | 162 | 88 Ų | 88 | 64% | 0.635 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -73.7 | -44.3 | 173.5 | -96.6 | -80.6 | 0 | 0 | 0 | 112.5 | I133 E134 I135 M139 R140 A141 | I133-Y137 HydrophobicContact CG2-CD2 3.81Å; I133-Y137 HydrophobicContact CG2-CE2 3.96Å; I133-Y137 WeakPolarHBondContact O-CD2 3.41Å; I133-Y137 PolarHBondContact O-N 3.42Å; E134-Y137 PolarHBondContact O-N 2.86Å; E134-Y137 VanDerWaalsContact O-N 3.16Å; I135-Y137 VanDerWaalsContact C-N 3.26Å; I135-Y137 PolarHBondContact O-N 3.47Å; Y137-M139 VanDerWaalsContact C-N 3.28Å; Y137-M139 PolarHBondContact O-N 3.03Å; Y137-R140 PolarHBondContact O-N 2.86Å; Y137-A141 WeakPolarHBondContact O-CB 3.37Å; Y137-A141 PolarHBondContact O-N 3.05Å |
| 138 | E | 54.2 | Low | 56.6 | Low | 92 Ų | 92 | 81 Ų | 81 | 43% | 0.43 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60.6 | -38.6 | 176.4 | -76.3 | 169.2 | -178.4 | 0 | 0 | 111.5 | E134 I135 R140 A141 K389 | E134-E138 WeakPolarHBondContact O-CG 3.31Å; E134-E138 PolarHBondContact O-N 2.78Å; I135-E138 PolarHBondContact O-N 2.96Å; E138-R140 PolarHBondContact O-N 2.83Å; E138-A141 PolarHBondContact O-N 3.28Å; E138-K389 IonicContact OE1-NZ 3.33Å; E138-K389 PolarHBondContact OE1-NZ 2.93Å; E138-K389 IonicContact OE2-NZ 2.8Å; E138-K389 PolarHBondContact OE2-NZ 3.18Å |
| 139 | M | 51.9 | Low | 58.3 | Low | 88 Ų | 88 | 80.4 Ų | 80.4 | 43% | 0.433 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -19.6 | 174.3 | -70.6 | 179.6 | 83.6 | 0 | 0 | 113.9 | I135 Y137 R395 | I135-M139 HydrophobicContact CG2-CG 4.41Å; I135-M139 HydrophobicContact CG2-SD 4.12Å; I135-M139 VanDerWaalsContact O-CG 3.25Å; I135-M139 WeakPolarHBondContact O-CG 3.35Å; I135-M139 PolarHBondContact O-N 2.89Å; Y137-M139 VanDerWaalsContact C-N 3.28Å; Y137-M139 PolarHBondContact O-N 3.03Å; M139-R395 VanDerWaalsContact CE-NH1 3.33Å |
| 140 | R | 50.3 | Low | 60.1 | Low | 218 Ų | 218 | 79.6 Ų | 79.6 | 82% | 0.823 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | -21.3 | 179.1 | -69.6 | 179.4 | -179.6 | -176.7 | 1.3 | 113.4 | A136 Y137 E138 D142 | A136-R140 WeakPolarHBondContact O-CG 3.37Å; Y137-R140 PolarHBondContact O-N 2.86Å; E138-R140 PolarHBondContact O-N 2.83Å; R140-D142 PolarHBondContact O-N 3.03Å |
| 141 | A | 46 | Very low | 61.9 | Low | 70 Ų | 70 | 75 Ų | 75 | 58% | 0.579 | 39% | 0.393 | S | S | * | . | trans | -94 | 68.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y137 E138 | Y137-A141 WeakPolarHBondContact O-CB 3.37Å; Y137-A141 PolarHBondContact O-N 3.05Å; E138-A141 PolarHBondContact O-N 3.28Å | ||
| 142 | D | 45.1 | Very low | 63.6 | Low | 84 Ų | 84 | 79.8 Ų | 79.8 | 45% | 0.449 | 41% | 0.41 | S | S | . | . | trans | -138 | 75.9 | -172.5 | -161.5 | 18.9 | 0 | 0 | 0 | 112.3 | R140 Q285 | R140-D142 PolarHBondContact O-N 3.03Å; D142-Q285 PolarHBondContact OD1-NE2 3.09Å; D142-Q285 PolarHBondContact OD1-OE1 2.92Å; D142-Q285 PolarHBondContact OD2-NE2 2.93Å | ||
| 143 | E | 44.3 | Very low | 65.3 | Low | 178 Ų | 178 | 78.3 Ų | 78.3 | 83% | 0.832 | 40% | 0.402 | S | S | * | . | trans | -148.3 | 118.8 | 159.4 | -69.3 | -165.7 | 175.3 | 0 | 0 | 110.5 | ||||
| 144 | K | 46.3 | Very low | 67.1 | Low | 181 Ų | 181 | 78.8 Ų | 78.8 | 79% | 0.787 | 40% | 0.4 | S | S | * | . | trans | 97.1 | 110.7 | 168.3 | -56.4 | 179.7 | -177.6 | -179.1 | 0 | 116.5 | S146 | K144-S146 VanDerWaalsContact C-N 3.25Å; K144-S146 PolarHBondContact O-N 3.29Å; K144-S146 PolarHBondContact O-OG 2.76Å | ||
| 145 | G | 51.3 | Low | 68.9 | Low | 73 Ų | 73 | 76.1 Ų | 76.1 | 75% | 0.753 | 39% | 0.387 | S | S | * | . | trans | -56.7 | 78.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 146 | S | 61.2 | Low | 70.6 | Confident | 73 Ų | 73 | 77.6 Ų | 77.6 | 51% | 0.51 | 40% | 0.395 | S | S | . | . | trans | -85.6 | 125.6 | -177.7 | -58.3 | 0 | 0 | 0 | 0 | 109 | K144 C148 | K144-S146 VanDerWaalsContact C-N 3.25Å; K144-S146 PolarHBondContact O-N 3.29Å; K144-S146 PolarHBondContact O-OG 2.76Å; S146-C148 PolarHBondContact O-N 2.72Å | ||
| 147 | S | 74.1 | Confident | 72.4 | Confident | 59 Ų | 59 | 75.3 Ų | 75.3 | 41% | 0.413 | 38% | 0.376 | S | S | . | . | trans | -47.5 | 136.4 | 170.2 | 175.4 | 0 | 0 | 0 | 0 | 110.3 | G149 I175 | S147-G149 VanDerWaalsContact C-N 3.27Å; S147-G149 PolarHBondContact OG-N 2.78Å; S147-I175 VanDerWaalsContact O-CD1 3.28Å; S147-I175 WeakPolarHBondContact O-CD1 3.32Å | ||
| 148 | C | 84.4 | Confident | 74.3 | Confident | 5 Ų | 5 | 68.1 Ų | 68.1 | 3% | 0.034 | 35% | 0.348 | C | S | . | . | trans | -92.2 | 14.1 | 179.3 | -63.5 | 0 | 0 | 0 | 0 | 112.9 | S146 I252 L277 N279 | S146-C148 PolarHBondContact O-N 2.72Å; C148-I252 HydrophobicContact CB-CG2 4.49Å; C148-I252 WeakPolarHBondContact CB-O 3.38Å; C148-I252 PolarHBondContact SG-O 2.56Å; C148-I252 VanDerWaalsContact SG-O 3.32Å; C148-L277 HydrophobicContact CB-CB 3.81Å; C148-L277 WeakPolarHBondContact CB-O 3.41Å; C148-L277 PolarHBondContact N-O 2.9Å; C148-N279 VanDerWaalsContact SG-CB 3.59Å; C148-N279 PolarHBondContact SG-N 2.81Å | ||
| 149 | G | 90.8 | Very high | 76.1 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 34% | 0.343 | C | S | . | . | trans | 95.7 | -168.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S147 S172 E173 L277 | S147-G149 VanDerWaalsContact C-N 3.27Å; S147-G149 PolarHBondContact OG-N 2.78Å; G149-S172 CarbonylContact C-O 3.6Å; G149-S172 VanDerWaalsContact CA-O 3.22Å; G149-S172 WeakPolarHBondContact CA-O 3.32Å; G149-E173 WeakPolarHBondContact CA-O 3.31Å; G149-L277 WeakPolarHBondContact O-CB 3.28Å; G149-L277 PolarHBondContact O-N 2.9Å | ||
| 150 | K | 94.5 | Very high | 77.9 | Confident | 61 Ų | 61 | 71.1 Ų | 71.1 | 27% | 0.265 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 149.3 | -177.3 | -53.9 | -175.2 | -179.7 | 159.9 | 0 | 111 | A171 S172 I275 D276 | K150-A171 CarbonylContact O-C 3.39Å; K150-A171 WeakPolarHBondContact O-CA 3.14Å; K150-A171 WeakPolarHBondContact O-CB 3.46Å; K150-S172 PolarHBondContact N-O 3.16Å; K150-S172 PolarHBondContact O-N 3.32Å; K150-I275 CarbonylContact C-O 3.56Å; K150-I275 WeakPolarHBondContact CA-O 3.48Å; K150-D276 WeakPolarHBondContact CD-OD1 3.27Å; K150-D276 WeakPolarHBondContact CE-OD1 3.43Å; K150-D276 WeakPolarHBondContact CG-OD1 3.26Å |
| 151 | L | 96.2 | Very high | 79.9 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 126.2 | 174.9 | -179.2 | 68.4 | 0 | 0 | 0 | 110 | Y153 I168 A171 V192 F238 N274 I275 L277 | L151-Y153 HydrophobicContact CD2-CD1 4.46Å; L151-Y153 HydrophobicContact CG-CD1 4.35Å; L151-I168 HydrophobicContact CD1-CG2 4.35Å; L151-A171 HydrophobicContact CD1-CB 4.14Å; L151-V192 HydrophobicContact CD1-CG2 3.95Å; L151-V192 HydrophobicContact CD2-CG1 4.21Å; L151-F238 HydrophobicContact CD2-CB 3.49Å; L151-F238 VanDerWaalsContact CD2-CB 3.49Å; L151-F238 HydrophobicContact CD2-CD1 3.66Å; L151-F238 HydrophobicContact CD2-CD2 3.98Å; L151-F238 HydrophobicContact CD2-CE1 4.34Å; L151-F238 HydrophobicContact CD2-CG 3.43Å; L151-F238 VanDerWaalsContact CD2-CG 3.43Å; L151-N274 WeakPolarHBondContact O-CA 3.25Å; L151-I275 HydrophobicContact CB-CG2 4.02Å; L151-I275 PolarHBondContact N-O 2.78Å; L151-I275 PolarHBondContact O-N 2.98Å; L151-L277 HydrophobicContact CB-CD2 4.13Å; L151-L277 HydrophobicContact CB-CG 4.43Å |
| 152 | R | 97.6 | Very high | 82.1 | Confident | 118 Ų | 118 | 66.2 Ų | 66.2 | 45% | 0.445 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 129.5 | 172.6 | -67.2 | -167.5 | -58.1 | -179 | -0.4 | 110.8 | I169 S170 I273 N274 | R152-I169 HydrophobicContact CB-CB 4.2Å; R152-I169 WeakPolarHBondContact O-CB 3.44Å; R152-I169 PolarHBondContact O-N 3.36Å; R152-S170 PolarHBondContact N-O 3.2Å; R152-S170 PolarHBondContact NE-OG 2.79Å; R152-S170 PolarHBondContact NH2-OG 2.93Å; R152-S170 PolarHBondContact O-N 3.47Å; R152-I273 WeakPolarHBondContact CA-O 3.45Å; R152-N274 HydrophobicContact CG-CB 4.03Å; R152-N274 VanDerWaalsContact CG-OD1 3.27Å; R152-N274 WeakPolarHBondContact CG-OD1 3.42Å |
| 153 | Y | 97 | Very high | 84.4 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 162.6 | 177.1 | 64.9 | -80.2 | 0 | 0 | 0 | 110.4 | L151 L155 V166 H167 F238 C257 I273 I275 | L151-Y153 HydrophobicContact CD2-CD1 4.46Å; L151-Y153 HydrophobicContact CG-CD1 4.35Å; Y153-L155 HydrophobicContact CD2-CD1 4.46Å; Y153-L155 HydrophobicContact CD2-CD2 4.08Å; Y153-L155 HydrophobicContact CD2-CG 3.93Å; Y153-L155 HydrophobicContact CE2-CD1 3.78Å; Y153-L155 HydrophobicContact CE2-CD2 4.11Å; Y153-L155 HydrophobicContact CE2-CG 3.75Å; Y153-V166 HydrophobicContact CD2-CG1 4.43Å; Y153-H167 CarbonylContact C-O 3.53Å; Y153-H167 WeakPolarHBondContact CA-O 3.32Å; Y153-H167 WeakPolarHBondContact CB-O 3.39Å; Y153-F238 HydrophobicContact CD1-CE2 4.03Å; Y153-F238 AromaticContact CD1-CZ 3.9Å; Y153-F238 HydrophobicContact CD1-CZ 3.9Å; Y153-F238 HydrophobicContact CD2-CE1 4.47Å; Y153-F238 HydrophobicContact CD2-CE2 4.26Å; Y153-F238 AromaticContact CD2-CZ 3.61Å; Y153-F238 HydrophobicContact CD2-CZ 3.61Å; Y153-F238 HydrophobicContact CE1-CD2 4.42Å; Y153-F238 AromaticContact CE1-CE2 3.62Å; Y153-F238 HydrophobicContact CE1-CE2 3.62Å; Y153-F238 AromaticContact CE1-CZ 3.9Å; Y153-F238 HydrophobicContact CE1-CZ 3.9Å; Y153-F238 AromaticContact CE2-CE2 3.85Å; Y153-F238 HydrophobicContact CE2-CE2 3.85Å; Y153-F238 AromaticContact CE2-CZ 3.6Å; Y153-F238 HydrophobicContact CE2-CZ 3.6Å; Y153-F238 HydrophobicContact CG-CE1 4.37Å; Y153-F238 HydrophobicContact CG-CE2 4.34Å; Y153-F238 AromaticContact CG-CZ 3.76Å; Y153-F238 HydrophobicContact CG-CZ 3.76Å; Y153-F238 AromaticContact CZ-CE2 3.52Å; Y153-F238 AromaticContact CZ-CZ 3.76Å; Y153-C257 WeakPolarHBondContact OH-CB 3.3Å; Y153-C257 PolarHBondContact OH-SG 3.46Å; Y153-I273 HydrophobicContact CD1-CB 4.42Å; Y153-I273 HydrophobicContact CE1-CB 3.87Å; Y153-I273 HydrophobicContact CE1-CG2 3.75Å; Y153-I273 HydrophobicContact CE2-CB 4.04Å; Y153-I273 HydrophobicContact CE2-CD1 3.77Å; Y153-I273 HydrophobicContact CE2-CG1 4.38Å; Y153-I273 HydrophobicContact CE2-CG2 4.48Å; Y153-I273 PolarHBondContact N-O 2.92Å; Y153-I273 PolarHBondContact O-N 2.85Å; Y153-I273 WeakPolarHBondContact OH-CG2 3.12Å; Y153-I275 HydrophobicContact CD1-CG2 4.43Å; Y153-I275 HydrophobicContact CE1-CB 4.39Å; Y153-I275 HydrophobicContact CE1-CG2 3.74Å |
| 154 | R | 96.6 | Very high | 86.7 | Confident | 76 Ų | 76 | 53.9 Ų | 53.9 | 29% | 0.287 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 141 | 177.7 | 169.5 | -170.8 | -62.4 | 138.5 | 8.9 | 109.9 | I156 H167 I169 A270 I271 D272 | R154-I156 HydrophobicContact CG-CG1 4.35Å; R154-H167 HydrophobicContact CB-CB 4.05Å; R154-H167 PolarHBondContact N-O 2.81Å; R154-H167 PolarHBondContact O-N 2.92Å; R154-I169 HydrophobicContact CB-CD1 4.34Å; R154-A270 HydrophobicContact CG-CB 3.96Å; R154-I271 CarbonylContact C-O 3.56Å; R154-I271 VanDerWaalsContact CA-O 3.26Å; R154-I271 WeakPolarHBondContact CA-O 2.99Å; R154-D272 VanDerWaalsContact CB-OD1 3.26Å; R154-D272 WeakPolarHBondContact CB-OD1 3.46Å; R154-D272 VanDerWaalsContact CG-OD1 3.23Å; R154-D272 WeakPolarHBondContact CG-OD1 3.22Å; R154-D272 IonicContact CZ-OD1 3.81Å; R154-D272 IonicContact NE-OD1 3.77Å; R154-D272 PolarHBondContact NE-OD1 2.87Å; R154-D272 IonicContact NE-OD2 2.86Å; R154-D272 IonicContact NH2-OD1 2.7Å; R154-D272 PolarHBondContact NH2-OD1 2.81Å; R154-D272 IonicContact NH2-OD2 2.78Å; R154-D272 PolarHBondContact NH2-OD2 3.38Å |
| 155 | L | 95.4 | Very high | 89 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 137 | 176.3 | -65 | 175.8 | 0 | 0 | 0 | 110.7 | Y153 L164 T165 V166 L236 L259 L262 L264 A270 I271 I273 | Y153-L155 HydrophobicContact CD2-CD1 4.46Å; Y153-L155 HydrophobicContact CD2-CD2 4.08Å; Y153-L155 HydrophobicContact CD2-CG 3.93Å; Y153-L155 HydrophobicContact CE2-CD1 3.78Å; Y153-L155 HydrophobicContact CE2-CD2 4.11Å; Y153-L155 HydrophobicContact CE2-CG 3.75Å; L155-L164 HydrophobicContact CD2-CD1 4.44Å; L155-T165 WeakPolarHBondContact CA-O 3.47Å; L155-V166 HydrophobicContact CD2-CB 4.05Å; L155-V166 HydrophobicContact CD2-CG1 3.87Å; L155-V166 HydrophobicContact CD2-CG2 3.57Å; L155-L236 HydrophobicContact CD2-CD2 3.74Å; L155-L259 HydrophobicContact CD1-CD2 3.86Å; L155-L262 HydrophobicContact CD1-CD1 3.27Å; L155-L264 HydrophobicContact CB-CD2 4.31Å; L155-A270 WeakPolarHBondContact O-CA 3.39Å; L155-I271 PolarHBondContact N-O 2.9Å; L155-I271 PolarHBondContact O-N 2.81Å; L155-I273 HydrophobicContact CD1-CD1 3.89Å; L155-I273 HydrophobicContact CG-CD1 4.49Å |
| 156 | I | 94.5 | Very high | 91.1 | Very high | 43 Ų | 43 | 43.1 Ų | 43.1 | 22% | 0.221 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 129 | 174 | -57.7 | 166.9 | 0 | 0 | 0 | 107.4 | R154 T165 A270 | R154-I156 HydrophobicContact CG-CG1 4.35Å; I156-T165 PolarHBondContact N-O 3.5Å; I156-T165 PolarHBondContact O-N 3.46Å; I156-A270 HydrophobicContact CD1-CB 4.27Å; I156-A270 HydrophobicContact CG1-CB 3.93Å |
| 157 | Y | 94.4 | Very high | 92.9 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 0% | 0.004 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 127.9 | 173.6 | -176.5 | -107.8 | 0 | 0 | 0 | 110.8 | F159 N162 A163 L164 I226 Y228 L231 N268 | Y157-F159 HydrophobicContact CD1-CD1 4.33Å; Y157-F159 AromaticContact CD1-CD2 3.62Å; Y157-F159 HydrophobicContact CD1-CD2 3.62Å; Y157-F159 HydrophobicContact CD1-CE1 4.23Å; Y157-F159 AromaticContact CD1-CE2 3.53Å; Y157-F159 HydrophobicContact CD1-CE2 3.53Å; Y157-F159 HydrophobicContact CD1-CG 4.05Å; Y157-F159 AromaticContact CD1-CZ 3.84Å; Y157-F159 HydrophobicContact CD1-CZ 3.84Å; Y157-F159 HydrophobicContact CE1-CB 4.41Å; Y157-F159 AromaticContact CE1-CD1 3.68Å; Y157-F159 HydrophobicContact CE1-CD1 3.68Å; Y157-F159 AromaticContact CE1-CD2 3.76Å; Y157-F159 HydrophobicContact CE1-CD2 3.76Å; Y157-F159 AromaticContact CE1-CE1 3.77Å; Y157-F159 HydrophobicContact CE1-CE1 3.77Å; Y157-F159 AromaticContact CE1-CE2 3.89Å; Y157-F159 HydrophobicContact CE1-CE2 3.89Å; Y157-F159 AromaticContact CE1-CG 3.68Å; Y157-F159 HydrophobicContact CE1-CG 3.68Å; Y157-F159 AromaticContact CE1-CZ 3.88Å; Y157-F159 HydrophobicContact CE1-CZ 3.88Å; Y157-N162 PolarHBondContact OH-OD1 2.94Å; Y157-A163 WeakPolarHBondContact CD2-O 3.37Å; Y157-L164 HydrophobicContact CD2-CB 4.26Å; Y157-L164 HydrophobicContact CD2-CD1 4.48Å; Y157-I226 WeakPolarHBondContact CE2-O 3.49Å; Y157-I226 PolarHBondContact OH-O 2.77Å; Y157-Y228 HydrophobicContact CD1-CD2 4.31Å; Y157-Y228 HydrophobicContact CE1-CD2 4.08Å; Y157-Y228 PolarHBondContact OH-N 3.34Å; Y157-Y228 VanDerWaalsContact OH-N 3.13Å; Y157-L231 HydrophobicContact CD1-CD1 4.1Å; Y157-L231 HydrophobicContact CD2-CD1 3.56Å; Y157-L231 HydrophobicContact CE1-CD1 4.17Å; Y157-L231 HydrophobicContact CE2-CD1 3.61Å; Y157-L231 HydrophobicContact CE2-CG 4.32Å; Y157-L231 HydrophobicContact CG-CD1 3.8Å; Y157-N268 PolarHBondContact O-N 3.34Å |
| 158 | D | 93.6 | Very high | 94 | Very high | 10 Ų | 10 | 37.6 Ų | 37.6 | 5% | 0.053 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 110.5 | 176.6 | -177 | -15 | 0 | 0 | 0 | 109 | E160 K161 N162 A163 | D158-E160 VanDerWaalsContact C-N 3.33Å; D158-E160 WeakPolarHBondContact OD1-CB 3.05Å; D158-E160 PolarHBondContact OD1-N 2.85Å; D158-K161 HydrophobicContact CB-CB 4.4Å; D158-K161 PolarHBondContact OD1-N 3.41Å; D158-K161 WeakPolarHBondContact OD2-CD 3.38Å; D158-K161 WeakPolarHBondContact OD2-CG 3.02Å; D158-K161 IonicContact OD2-NZ 3.91Å; D158-K161 PolarHBondContact OD2-NZ 3.22Å; D158-N162 WeakPolarHBondContact O-CA 2.9Å; D158-N162 PolarHBondContact O-N 2.88Å; D158-A163 PolarHBondContact N-O 3.12Å; D158-A163 PolarHBondContact O-N 2.78Å; D158-A163 VanDerWaalsContact O-N 3.1Å |
| 159 | F | 91.8 | Very high | 94.6 | Very high | 70 Ų | 70 | 39 Ų | 39 | 31% | 0.307 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -27.6 | 179.9 | -76.2 | -98.6 | 0 | 0 | 0 | 113.1 | Y157 N162 Y228 L264 K265 S267 | Y157-F159 HydrophobicContact CD1-CD1 4.33Å; Y157-F159 AromaticContact CD1-CD2 3.62Å; Y157-F159 HydrophobicContact CD1-CD2 3.62Å; Y157-F159 HydrophobicContact CD1-CE1 4.23Å; Y157-F159 AromaticContact CD1-CE2 3.53Å; Y157-F159 HydrophobicContact CD1-CE2 3.53Å; Y157-F159 HydrophobicContact CD1-CG 4.05Å; Y157-F159 AromaticContact CD1-CZ 3.84Å; Y157-F159 HydrophobicContact CD1-CZ 3.84Å; Y157-F159 HydrophobicContact CE1-CB 4.41Å; Y157-F159 AromaticContact CE1-CD1 3.68Å; Y157-F159 HydrophobicContact CE1-CD1 3.68Å; Y157-F159 AromaticContact CE1-CD2 3.76Å; Y157-F159 HydrophobicContact CE1-CD2 3.76Å; Y157-F159 AromaticContact CE1-CE1 3.77Å; Y157-F159 HydrophobicContact CE1-CE1 3.77Å; Y157-F159 AromaticContact CE1-CE2 3.89Å; Y157-F159 HydrophobicContact CE1-CE2 3.89Å; Y157-F159 AromaticContact CE1-CG 3.68Å; Y157-F159 HydrophobicContact CE1-CG 3.68Å; Y157-F159 AromaticContact CE1-CZ 3.88Å; Y157-F159 HydrophobicContact CE1-CZ 3.88Å; F159-N162 PolarHBondContact O-OD1 3.5Å; F159-Y228 HydrophobicContact CE1-CD1 4.48Å; F159-Y228 AromaticContact CE1-CD2 3.59Å; F159-Y228 HydrophobicContact CE1-CD2 3.59Å; F159-Y228 HydrophobicContact CE1-CE2 4.34Å; F159-Y228 AromaticContact CE1-CG 3.69Å; F159-Y228 HydrophobicContact CE1-CG 3.69Å; F159-Y228 AromaticContact CZ-CD2 3.5Å; F159-Y228 HydrophobicContact CZ-CD2 3.5Å; F159-Y228 AromaticContact CZ-CE2 3.91Å; F159-Y228 HydrophobicContact CZ-CE2 3.91Å; F159-Y228 HydrophobicContact CZ-CG 4.1Å; F159-L264 WeakPolarHBondContact CE2-O 3.46Å; F159-L264 WeakPolarHBondContact CZ-O 3.29Å; F159-K265 VanDerWaalsContact CE2-O 3.29Å; F159-K265 WeakPolarHBondContact CE2-O 3.4Å; F159-K265 VanDerWaalsContact CZ-O 3.29Å; F159-K265 WeakPolarHBondContact CZ-O 3.43Å; F159-S267 VanDerWaalsContact CD2-CB 3.47Å; F159-S267 PolarHBondContact N-OG 2.85Å |
| 160 | E | 91.5 | Very high | 94.9 | Very high | 173 Ų | 173 | 39.2 Ų | 39.2 | 81% | 0.808 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -38.1 | -179.4 | -62.4 | -175.9 | 170.2 | 0 | 0 | 110.7 | D158 | D158-E160 VanDerWaalsContact C-N 3.33Å; D158-E160 WeakPolarHBondContact OD1-CB 3.05Å; D158-E160 PolarHBondContact OD1-N 2.85Å |
| 161 | K | 91.4 | Very high | 95 | Very high | 127 Ų | 127 | 36.4 Ų | 36.4 | 55% | 0.552 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92 | -6.6 | 179.6 | -60.9 | -168.7 | -165.7 | 87.3 | 0 | 114 | D158 A163 | D158-K161 HydrophobicContact CB-CB 4.4Å; D158-K161 PolarHBondContact OD1-N 3.41Å; D158-K161 WeakPolarHBondContact OD2-CD 3.38Å; D158-K161 WeakPolarHBondContact OD2-CG 3.02Å; D158-K161 IonicContact OD2-NZ 3.91Å; D158-K161 PolarHBondContact OD2-NZ 3.22Å; K161-A163 HydrophobicContact CB-CB 3.84Å; K161-A163 PolarHBondContact O-N 2.85Å |
| 162 | N | 92.2 | Very high | 94.9 | Very high | 59 Ų | 59 | 37.7 Ų | 37.7 | 32% | 0.316 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45.7 | 52.4 | -167.1 | -67.1 | -48.3 | 0 | 0 | 0 | 111 | Y157 D158 F159 G225 I226 | Y157-N162 PolarHBondContact OH-OD1 2.94Å; D158-N162 WeakPolarHBondContact O-CA 2.9Å; D158-N162 PolarHBondContact O-N 2.88Å; F159-N162 PolarHBondContact O-OD1 3.5Å; N162-G225 PolarHBondContact O-N 2.97Å; N162-I226 CarbonylContact C-O 3.54Å; N162-I226 PolarHBondContact O-N 2.95Å |
| 163 | A | 92.9 | Very high | 94.5 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 2% | 0.017 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 127.3 | -170.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y157 D158 K161 V222 F223 Y224 | Y157-A163 WeakPolarHBondContact CD2-O 3.37Å; D158-A163 PolarHBondContact N-O 3.12Å; D158-A163 PolarHBondContact O-N 2.78Å; D158-A163 VanDerWaalsContact O-N 3.1Å; K161-A163 HydrophobicContact CB-CB 3.84Å; K161-A163 PolarHBondContact O-N 2.85Å; A163-V222 HydrophobicContact CB-CG1 3.91Å; A163-F223 CarbonylContact C-O 3.59Å; A163-F223 VanDerWaalsContact CA-O 3.27Å; A163-F223 WeakPolarHBondContact CA-O 3.09Å; A163-Y224 HydrophobicContact CB-CD1 3.85Å; A163-Y224 HydrophobicContact CB-CE1 4.16Å |
| 164 | L | 93.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 117.5 | 171.6 | 179 | 69.9 | 0 | 0 | 0 | 109.1 | L155 Y157 V166 L196 F223 I226 L231 L259 L264 | L155-L164 HydrophobicContact CD2-CD1 4.44Å; Y157-L164 HydrophobicContact CD2-CB 4.26Å; Y157-L164 HydrophobicContact CD2-CD1 4.48Å; L164-V166 HydrophobicContact CD2-CG2 4.26Å; L164-V166 HydrophobicContact CG-CG2 4.19Å; L164-L196 HydrophobicContact CD2-CD2 4.27Å; L164-F223 HydrophobicContact CB-CB 4.38Å; L164-F223 PolarHBondContact N-O 2.95Å; L164-F223 PolarHBondContact O-N 3.44Å; L164-I226 HydrophobicContact CB-CD1 4.4Å; L164-L231 HydrophobicContact CD2-CD2 4.2Å; L164-L259 HydrophobicContact CD2-CD1 3.61Å; L164-L264 HydrophobicContact CD1-CD1 4.41Å |
| 165 | T | 94.9 | Very high | 93.4 | Very high | 29 Ų | 29 | 37.8 Ų | 37.8 | 18% | 0.178 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 126.8 | 172.3 | -54.9 | 0 | 0 | 0 | 0 | 109.5 | L155 I156 F221 V222 | L155-T165 WeakPolarHBondContact CA-O 3.47Å; I156-T165 PolarHBondContact N-O 3.5Å; I156-T165 PolarHBondContact O-N 3.46Å; T165-F221 CarbonylContact C-O 3.53Å; T165-F221 WeakPolarHBondContact CA-O 3.17Å; T165-V222 HydrophobicContact CG2-CG2 4.15Å |
| 166 | V | 95.8 | Very high | 92 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 112.2 | 176.1 | -172.7 | 0 | 0 | 0 | 0 | 108.3 | Y153 L155 L164 I168 L194 F221 F223 L236 F238 | Y153-V166 HydrophobicContact CD2-CG1 4.43Å; L155-V166 HydrophobicContact CD2-CB 4.05Å; L155-V166 HydrophobicContact CD2-CG1 3.87Å; L155-V166 HydrophobicContact CD2-CG2 3.57Å; L164-V166 HydrophobicContact CD2-CG2 4.26Å; L164-V166 HydrophobicContact CG-CG2 4.19Å; V166-I168 HydrophobicContact CG1-CD1 3.98Å; V166-L194 HydrophobicContact CB-CD2 4.14Å; V166-L194 HydrophobicContact CG1-CD2 3.67Å; V166-F221 PolarHBondContact N-O 3.07Å; V166-F221 PolarHBondContact O-N 3.07Å; V166-F223 HydrophobicContact CB-CE2 4.27Å; V166-F223 HydrophobicContact CG2-CD2 3.9Å; V166-F223 HydrophobicContact CG2-CE2 3.57Å; V166-L236 HydrophobicContact CG1-CD2 3.92Å; V166-L236 HydrophobicContact CG2-CD1 4.47Å; V166-L236 HydrophobicContact CG2-CD2 3.78Å; V166-F238 HydrophobicContact CG1-CE1 4.11Å; V166-F238 HydrophobicContact CG1-CZ 4.32Å |
| 167 | H | 97.3 | Very high | 90.4 | Very high | 15 Ų | 15 | 40.8 Ų | 40.8 | 7% | 0.069 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 108.7 | 177.8 | 178 | 75.8 | 0 | 0 | 0 | 109.3 | Y153 R154 I169 D218 E219 D220 | Y153-H167 CarbonylContact C-O 3.53Å; Y153-H167 WeakPolarHBondContact CA-O 3.32Å; Y153-H167 WeakPolarHBondContact CB-O 3.39Å; R154-H167 HydrophobicContact CB-CB 4.05Å; R154-H167 PolarHBondContact N-O 2.81Å; R154-H167 PolarHBondContact O-N 2.92Å; H167-I169 WeakPolarHBondContact CD2-CG1 3.34Å; H167-I169 PolarHBondContact O-N 3.48Å; H167-D218 IonicContact CE1-OD1 2.7Å; H167-D218 PolarHBondContact CE1-OD1 2.75Å; H167-D218 IonicContact NE2-OD1 3.88Å; H167-D218 PolarHBondContact NE2-OD1 3.14Å; H167-E219 CarbonylContact C-O 3.54Å; H167-E219 WeakPolarHBondContact CA-O 3.39Å; H167-D220 WeakPolarHBondContact CB-OD1 3.49Å; H167-D220 IonicContact CE1-OD1 3.48Å; H167-D220 IonicContact CG-OD1 3.14Å; H167-D220 VanDerWaalsContact CG-OD1 3.23Å; H167-D220 IonicContact ND1-OD1 3.55Å; H167-D220 PolarHBondContact ND1-OD1 2.85Å; H167-D220 IonicContact ND1-OD2 2.83Å |
| 168 | I | 97.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 113.1 | 177.5 | -60.2 | -59.9 | 0 | 0 | 0 | 108.7 | L151 V166 V192 L194 T206 Y217 D218 E219 F221 F238 | L151-I168 HydrophobicContact CD1-CG2 4.35Å; V166-I168 HydrophobicContact CG1-CD1 3.98Å; I168-V192 HydrophobicContact CG2-CG2 4.23Å; I168-L194 HydrophobicContact CD1-CD1 4.46Å; I168-L194 HydrophobicContact CD1-CD2 3.82Å; I168-L194 HydrophobicContact CD1-CG 4.37Å; I168-L194 HydrophobicContact CG1-CD1 4.14Å; I168-L194 HydrophobicContact CG1-CD2 4Å; I168-T206 HydrophobicContact CB-CG2 4.19Å; I168-T206 HydrophobicContact CG1-CG2 4.26Å; I168-T206 HydrophobicContact CG2-CG2 4.01Å; I168-Y217 HydrophobicContact CG2-CD2 3.57Å; I168-Y217 HydrophobicContact CG2-CE2 4.36Å; I168-Y217 HydrophobicContact CG2-CG 3.96Å; I168-D218 WeakPolarHBondContact O-CA 3.02Å; I168-D218 PolarHBondContact O-N 2.83Å; I168-E219 PolarHBondContact N-O 2.95Å; I168-E219 PolarHBondContact O-N 2.82Å; I168-E219 VanDerWaalsContact O-N 3.07Å; I168-F221 HydrophobicContact CB-CE2 4.36Å; I168-F221 HydrophobicContact CG1-CD2 4.01Å; I168-F221 HydrophobicContact CG1-CE2 3.78Å; I168-F238 HydrophobicContact CD1-CD1 3.96Å; I168-F238 HydrophobicContact CD1-CE1 3.5Å; I168-F238 VanDerWaalsContact CD1-CE1 3.5Å; I168-F238 HydrophobicContact CD1-CZ 4.45Å |
| 169 | I | 97.7 | Very high | 86.1 | Confident | 34 Ų | 34 | 50 Ų | 50 | 17% | 0.174 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | -67.5 | -174.3 | -59.1 | 166.2 | 0 | 0 | 0 | 109.5 | R152 R154 H167 Y217 D218 | R152-I169 HydrophobicContact CB-CB 4.2Å; R152-I169 WeakPolarHBondContact O-CB 3.44Å; R152-I169 PolarHBondContact O-N 3.36Å; R154-I169 HydrophobicContact CB-CD1 4.34Å; H167-I169 WeakPolarHBondContact CD2-CG1 3.34Å; H167-I169 PolarHBondContact O-N 3.48Å; I169-Y217 PolarHBondContact O-N 2.84Å; I169-D218 PolarHBondContact O-N 2.96Å; I169-D218 VanDerWaalsContact O-N 3.15Å |
| 170 | S | 97.1 | Very high | 83.9 | Confident | 6 Ų | 6 | 49.9 Ų | 49.9 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 158.6 | -174.3 | 71.1 | 0 | 0 | 0 | 0 | 111.3 | R152 P215 | R152-S170 PolarHBondContact N-O 3.2Å; R152-S170 PolarHBondContact NE-OG 2.79Å; R152-S170 PolarHBondContact NH2-OG 2.93Å; R152-S170 PolarHBondContact O-N 3.47Å; S170-P215 CarbonylContact C-O 3.55Å; S170-P215 WeakPolarHBondContact CA-O 3.05Å; S170-P215 VanDerWaalsContact CB-O 3.27Å; S170-P215 WeakPolarHBondContact CB-O 3.33Å |
| 171 | A | 96.3 | Very high | 81.3 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.008 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 156.3 | 159.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | K150 L151 L174 D214 P215 Y217 | K150-A171 CarbonylContact O-C 3.39Å; K150-A171 WeakPolarHBondContact O-CA 3.14Å; K150-A171 WeakPolarHBondContact O-CB 3.46Å; L151-A171 HydrophobicContact CD1-CB 4.14Å; A171-L174 HydrophobicContact CB-CD1 4.07Å; A171-L174 HydrophobicContact CB-CD2 4.08Å; A171-L174 HydrophobicContact CB-CG 4.2Å; A171-D214 CarbonylContact O-C 3.59Å; A171-D214 VanDerWaalsContact O-CA 3.26Å; A171-D214 WeakPolarHBondContact O-CA 3.2Å; A171-P215 HydrophobicContact CB-CG 3.81Å; A171-P215 PolarHBondContact N-O 2.92Å; A171-P215 WeakPolarHBondContact O-CD 3.23Å; A171-Y217 HydrophobicContact CB-CE2 4.31Å |
| 172 | S | 93.3 | Very high | 78.9 | Confident | 28 Ų | 28 | 57.1 Ų | 57.1 | 20% | 0.196 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 156.5 | 179.1 | 60.8 | 0 | 0 | 0 | 0 | 111.5 | G149 K150 L174 D214 | G149-S172 CarbonylContact C-O 3.6Å; G149-S172 VanDerWaalsContact CA-O 3.22Å; G149-S172 WeakPolarHBondContact CA-O 3.32Å; K150-S172 PolarHBondContact N-O 3.16Å; K150-S172 PolarHBondContact O-N 3.32Å; S172-L174 PolarHBondContact O-N 3.2Å; S172-D214 WeakPolarHBondContact CA-OD1 3.41Å; S172-D214 WeakPolarHBondContact CB-OD1 3.36Å |
| 173 | E | 89.4 | Confident | 76.4 | Confident | 109 Ų | 109 | 67 Ų | 67 | 51% | 0.509 | 31% | 0.311 | S | S | . | . | S | Bend | trans | 58.4 | 32.8 | 175.8 | -56.5 | 168.9 | -147.2 | 0 | 0 | 113 | G149 I175 D214 | G149-E173 WeakPolarHBondContact CA-O 3.31Å; E173-I175 PolarHBondContact O-N 3.08Å; E173-D214 PolarHBondContact N-OD1 3.18Å |
| 174 | L | 90.5 | Very high | 74.6 | Confident | 4 Ų | 4 | 74.6 Ų | 74.6 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 121.2 | 178.6 | -61.3 | -179.5 | 0 | 0 | 0 | 110.5 | A171 S172 L188 P190 A213 P215 V240 I252 L277 | A171-L174 HydrophobicContact CB-CD1 4.07Å; A171-L174 HydrophobicContact CB-CD2 4.08Å; A171-L174 HydrophobicContact CB-CG 4.2Å; S172-L174 PolarHBondContact O-N 3.2Å; L174-L188 HydrophobicContact CB-CD1 4.13Å; L174-P190 HydrophobicContact CD1-CB 3.66Å; L174-P190 HydrophobicContact CD1-CG 3.96Å; L174-A213 HydrophobicContact CB-CB 4.43Å; L174-A213 VanDerWaalsContact CB-O 3.28Å; L174-A213 WeakPolarHBondContact CB-O 3.45Å; L174-A213 VanDerWaalsContact CG-O 3.24Å; L174-A213 WeakPolarHBondContact CG-O 3.44Å; L174-A213 PolarHBondContact N-O 3.45Å; L174-A213 VanDerWaalsContact N-O 3.15Å; L174-P215 HydrophobicContact CD1-CG 3.92Å; L174-V240 HydrophobicContact CD1-CG1 3.96Å; L174-V240 HydrophobicContact CD2-CG1 3.96Å; L174-I252 HydrophobicContact CB-CD1 4.46Å; L174-I252 HydrophobicContact CB-CG2 4.34Å; L174-I252 HydrophobicContact CD1-CD1 4.15Å; L174-I252 HydrophobicContact CD2-CG2 4.1Å; L174-L277 HydrophobicContact CD2-CD1 3.59Å |
| 175 | I | 81 | Confident | 72.8 | Confident | 83 Ų | 83 | 81.1 Ų | 81.1 | 43% | 0.426 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -97.5 | 120.3 | -178.6 | -53.3 | -173.9 | 0 | 0 | 0 | 110.2 | S147 E173 K177 | S147-I175 VanDerWaalsContact O-CD1 3.28Å; S147-I175 WeakPolarHBondContact O-CD1 3.32Å; E173-I175 PolarHBondContact O-N 3.08Å; I175-K177 PolarHBondContact O-N 3.49Å |
| 176 | P | 64.7 | Low | 71.2 | Confident | 36 Ų | 36 | 82 Ų | 82 | 23% | 0.234 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 116.5 | 167.9 | -7.8 | 18.2 | 0 | 0 | 0 | 109.4 | S178 V186 L188 | P176-S178 PolarHBondContact O-N 3.17Å; P176-V186 HydrophobicContact CB-CB 3.86Å; P176-V186 HydrophobicContact CB-CG1 3.91Å; P176-V186 HydrophobicContact CB-CG2 4.41Å; P176-V186 HydrophobicContact CG-CB 3.7Å; P176-V186 HydrophobicContact CG-CG1 4.18Å; P176-V186 HydrophobicContact CG-CG2 4.47Å; P176-L188 HydrophobicContact CB-CD1 4.28Å; P176-L188 HydrophobicContact CB-CD2 3.85Å; P176-L188 HydrophobicContact CB-CG 4.24Å; P176-L188 HydrophobicContact CG-CD1 3.86Å; P176-L188 HydrophobicContact CG-CD2 4.13Å; P176-L188 HydrophobicContact CG-CG 3.95Å |
| 177 | K | 61.9 | Low | 70.1 | Confident | 70 Ų | 70 | 86.6 Ų | 86.6 | 30% | 0.304 | 40% | 0.402 | S | S | . | . | trans | -76.3 | 26.8 | 175 | -62 | -179.7 | -170.1 | 145.8 | 0 | 113.4 | I175 K250 I251 I252 N279 | I175-K177 PolarHBondContact O-N 3.49Å; K177-K250 PolarHBondContact O-NZ 2.9Å; K177-I251 PolarHBondContact NZ-O 3.27Å; K177-I252 VanDerWaalsContact CE-O 3.24Å; K177-I252 WeakPolarHBondContact CE-O 3.03Å; K177-I252 PolarHBondContact NZ-O 2.79Å; K177-N279 VanDerWaalsContact CE-CG 3.45Å; K177-N279 WeakPolarHBondContact CE-ND2 3.15Å; K177-N279 PolarHBondContact NZ-ND2 2.79Å; K177-N279 VanDerWaalsContact NZ-ND2 3.19Å; K177-N279 PolarHBondContact NZ-OD1 3.25Å | ||
| 178 | S | 52.5 | Low | 69.5 | Low | 51 Ų | 51 | 86.6 Ų | 86.6 | 36% | 0.357 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -102.1 | 124.6 | 170.1 | 50.6 | 0 | 0 | 0 | 0 | 108.2 | P176 C180 | P176-S178 PolarHBondContact O-N 3.17Å; S178-C180 PolarHBondContact O-N 3.07Å; S178-C180 PolarHBondContact OG-SG 3.24Å |
| 179 | N | 45.3 | Very low | 69.2 | Low | 153 Ų | 153 | 88.5 Ų | 88.5 | 82% | 0.818 | 41% | 0.413 | S | S | * | . | trans | -68.9 | 70 | 167.3 | -80.9 | -22.4 | 0 | 0 | 0 | 109.3 | R181 | N179-R181 PolarHBondContact O-N 3.13Š| ||
| 180 | C | 44.2 | Very low | 69.1 | Low | 68 Ų | 68 | 86.9 Ų | 86.9 | 46% | 0.459 | 41% | 0.405 | S | S | . | . | trans | -70.4 | 88 | 161.2 | -62.9 | 0 | 0 | 0 | 0 | 105.8 | S178 V186 | S178-C180 PolarHBondContact O-N 3.07Å; S178-C180 PolarHBondContact OG-SG 3.24Å; C180-V186 HydrophobicContact CB-CG2 3.63Å; C180-V186 WeakPolarHBondContact SG-CG2 3.4Å | ||
| 181 | R | 38.5 | Very low | 69 | Low | 220 Ų | 220 | 87.7 Ų | 87.7 | 83% | 0.83 | 41% | 0.407 | S | S | * | . | trans | -53.6 | 140.5 | 149.2 | -72.1 | -175 | -169.3 | -159.5 | 2.1 | 105.4 | N179 | N179-R181 PolarHBondContact O-N 3.13Š| ||
| 182 | W | 40.2 | Very low | 68.9 | Low | 231 Ų | 231 | 87.6 Ų | 87.6 | 88% | 0.875 | 41% | 0.406 | S | S | * | . | S | Bend | trans | 96.6 | 125.8 | -168.2 | -47.8 | 114.3 | 0 | 0 | 0 | 112.5 | E184 | W182-E184 PolarHBondContact O-N 2.87Š|
| 183 | R | 41 | Very low | 68.8 | Low | 267 Ų | 267 | 88.3 Ų | 88.3 | 100% | 1.008 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -66.7 | 30.4 | -168.5 | -66.6 | 176.3 | 177.2 | 154.6 | -2.5 | 114.6 | ||
| 184 | E | 53.1 | Low | 68.9 | Low | 162 Ų | 162 | 83.1 Ų | 83.1 | 76% | 0.757 | 38% | 0.381 | S | S | * | . | trans | -99 | 120.6 | -178.7 | -154.6 | 157.7 | -152.3 | 0 | 0 | 108.5 | W182 V186 | W182-E184 PolarHBondContact O-N 2.87Å; E184-V186 PolarHBondContact O-N 2.83Å | ||
| 185 | K | 57.4 | Low | 68.7 | Low | 137 Ų | 137 | 83.7 Ų | 83.7 | 60% | 0.596 | 38% | 0.384 | S | S | * | . | trans | -57.4 | 107.9 | 175.2 | -176.9 | 178 | -177.7 | 179 | 0 | 107 | M187 | K185-M187 HydrophobicContact CB-CE 4.33Å; K185-M187 WeakPolarHBondContact O-CG 3.43Å; K185-M187 PolarHBondContact O-N 3.32Å; K185-M187 VanDerWaalsContact O-N 3.13Å | ||
| 186 | V | 61.3 | Low | 69 | Low | 48 Ų | 48 | 80.1 Ų | 80.1 | 29% | 0.291 | 37% | 0.366 | S | S | . | . | trans | -61.3 | 121.4 | 177.5 | 179.3 | 0 | 0 | 0 | 0 | 107.4 | P176 C180 E184 L188 | P176-V186 HydrophobicContact CB-CB 3.86Å; P176-V186 HydrophobicContact CB-CG1 3.91Å; P176-V186 HydrophobicContact CB-CG2 4.41Å; P176-V186 HydrophobicContact CG-CB 3.7Å; P176-V186 HydrophobicContact CG-CG1 4.18Å; P176-V186 HydrophobicContact CG-CG2 4.47Å; C180-V186 HydrophobicContact CB-CG2 3.63Å; C180-V186 WeakPolarHBondContact SG-CG2 3.4Å; E184-V186 PolarHBondContact O-N 2.83Å; V186-L188 PolarHBondContact O-N 3.21Å | ||
| 187 | M | 71.4 | Confident | 69.6 | Low | 95 Ų | 95 | 78.7 Ų | 78.7 | 47% | 0.468 | 36% | 0.356 | S | S | . | . | trans | -82.4 | 110.2 | -177.5 | -61.8 | -60 | 179.3 | 0 | 0 | 107.7 | K185 N211 | K185-M187 HydrophobicContact CB-CE 4.33Å; K185-M187 WeakPolarHBondContact O-CG 3.43Å; K185-M187 PolarHBondContact O-N 3.32Å; K185-M187 VanDerWaalsContact O-N 3.13Å; M187-N211 HydrophobicContact CB-CB 4.29Å; M187-N211 WeakPolarHBondContact CB-OD1 3.39Å; M187-N211 WeakPolarHBondContact CG-OD1 3.44Å; M187-N211 PolarHBondContact SD-ND2 3.18Å; M187-N211 PolarHBondContact SD-OD1 2.96Å | ||
| 188 | L | 84.9 | Confident | 70 | Confident | 16 Ų | 16 | 78.9 Ų | 78.9 | 8% | 0.084 | 37% | 0.365 | C | S | . | . | trans | -90.5 | 146.5 | 177 | -64.5 | 174.2 | 0 | 0 | 0 | 109.6 | L174 P176 V186 P190 N211 T212 A242 I252 | L174-L188 HydrophobicContact CB-CD1 4.13Å; P176-L188 HydrophobicContact CB-CD1 4.28Å; P176-L188 HydrophobicContact CB-CD2 3.85Å; P176-L188 HydrophobicContact CB-CG 4.24Å; P176-L188 HydrophobicContact CG-CD1 3.86Å; P176-L188 HydrophobicContact CG-CD2 4.13Å; P176-L188 HydrophobicContact CG-CG 3.95Å; V186-L188 PolarHBondContact O-N 3.21Å; L188-P190 WeakPolarHBondContact O-CD 3.42Å; L188-N211 CarbonylContact O-C 3.52Å; L188-N211 VanDerWaalsContact O-CA 3.26Å; L188-N211 WeakPolarHBondContact O-CA 3.17Å; L188-N211 PolarHBondContact O-N 2.85Å; L188-T212 PolarHBondContact O-N 3.23Å; L188-A242 HydrophobicContact CD2-CB 4.09Å; L188-I252 HydrophobicContact CD1-CD1 3.98Å | ||
| 189 | D | 92.3 | Very high | 70.6 | Confident | 40 Ų | 40 | 82.6 Ų | 82.6 | 21% | 0.214 | 38% | 0.376 | C | S | . | . | trans | -109.5 | 70 | 169.5 | -73 | -4.1 | 0 | 0 | 0 | 109.3 | V208 V209 R210 N211 F243 | D189-V208 HydrophobicContact CB-CG1 3.73Å; D189-V209 CarbonylContact C-O 3.58Å; D189-V209 WeakPolarHBondContact CA-O 3.41Å; D189-R210 WeakPolarHBondContact OD1-CA 3.41Å; D189-R210 WeakPolarHBondContact OD1-CB 3.5Å; D189-N211 PolarHBondContact OD1-N 2.85Å; D189-F243 HydrophobicContact CB-CB 4.15Å; D189-F243 WeakPolarHBondContact O-CB 3.31Å; D189-F243 PolarHBondContact O-N 3.25Å | ||
| 190 | P | 94.8 | Very high | 71.3 | Confident | 0 Ų | 0 | 78.3 Ų | 78.3 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 146.3 | -173.4 | 31.1 | -40.3 | 0 | 0 | 0 | 113.5 | L174 L188 V209 T212 P215 Y217 I241 I252 | L174-P190 HydrophobicContact CD1-CB 3.66Å; L174-P190 HydrophobicContact CD1-CG 3.96Å; L188-P190 WeakPolarHBondContact O-CD 3.42Å; P190-V209 WeakPolarHBondContact CD-O 3.28Å; P190-V209 PolarHBondContact O-N 2.9Å; P190-T212 VanDerWaalsContact CD-O 3.29Å; P190-T212 WeakPolarHBondContact CD-O 3.37Å; P190-T212 HydrophobicContact CG-CG2 4.14Å; P190-T212 WeakPolarHBondContact CG-O 3.31Å; P190-P215 HydrophobicContact CB-CG 4.11Å; P190-P215 HydrophobicContact CG-CB 3.74Å; P190-P215 HydrophobicContact CG-CG 3.54Å; P190-Y217 PolarHBondContact O-OH 2.83Å; P190-I241 CarbonylContact C-O 3.53Å; P190-I241 VanDerWaalsContact CA-O 3.29Å; P190-I241 WeakPolarHBondContact CA-O 3.45Å; P190-I252 HydrophobicContact CB-CD1 4.3Å |
| 191 | Y | 95.1 | Very high | 72.1 | Confident | 22 Ų | 22 | 81 Ų | 81 | 9% | 0.086 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 159.1 | 162.9 | 70.7 | -85 | 0 | 0 | 0 | 110.4 | K193 K205 V208 Y217 I241 F243 D249 | Y191-K193 HydrophobicContact CE2-CB 4.49Å; Y191-K205 HydrophobicContact CD2-CB 4.22Å; Y191-K205 HydrophobicContact CE2-CB 4.46Å; Y191-V208 HydrophobicContact CD1-CG2 4Å; Y191-V208 HydrophobicContact CG-CG2 4.23Å; Y191-Y217 WeakPolarHBondContact CA-OH 2.87Å; Y191-I241 HydrophobicContact CD1-CB 4.24Å; Y191-I241 HydrophobicContact CD1-CG2 4.47Å; Y191-I241 WeakPolarHBondContact CD1-O 3.27Å; Y191-I241 HydrophobicContact CE1-CB 3.76Å; Y191-I241 HydrophobicContact CE1-CG2 3.62Å; Y191-I241 HydrophobicContact CE2-CB 4.15Å; Y191-I241 HydrophobicContact CE2-CD1 3.96Å; Y191-I241 PolarHBondContact N-O 3.03Å; Y191-I241 PolarHBondContact O-N 3.41Å; Y191-F243 HydrophobicContact CD1-CB 4Å; Y191-F243 HydrophobicContact CE1-CB 4.01Å; Y191-D249 WeakPolarHBondContact CE1-OD2 3.38Å; Y191-D249 PolarHBondContact OH-OD2 2.86Å |
| 192 | V | 94.8 | Very high | 73.5 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 130 | 177.7 | -170.2 | 0 | 0 | 0 | 0 | 109.1 | L151 I168 L194 K205 T206 Y217 F238 A239 V240 | L151-V192 HydrophobicContact CD1-CG2 3.95Å; L151-V192 HydrophobicContact CD2-CG1 4.21Å; I168-V192 HydrophobicContact CG2-CG2 4.23Å; V192-L194 HydrophobicContact CG1-CD1 4.22Å; V192-K205 CarbonylContact O-C 3.5Å; V192-K205 VanDerWaalsContact O-CA 3.23Å; V192-K205 WeakPolarHBondContact O-CA 3.4Å; V192-T206 HydrophobicContact CB-CG2 3.91Å; V192-T206 HydrophobicContact CG2-CG2 4.39Å; V192-T206 PolarHBondContact N-OG1 2.97Å; V192-T206 PolarHBondContact O-N 2.84Å; V192-Y217 HydrophobicContact CG2-CD2 4.18Å; V192-Y217 HydrophobicContact CG2-CE1 4.43Å; V192-Y217 HydrophobicContact CG2-CE2 3.49Å; V192-Y217 VanDerWaalsContact CG2-CE2 3.49Å; V192-F238 HydrophobicContact CG1-CB 4.19Å; V192-F238 HydrophobicContact CG1-CD1 4.1Å; V192-A239 WeakPolarHBondContact CA-O 3.4Å; V192-V240 HydrophobicContact CG2-CG2 4.2Å |
| 193 | K | 91.5 | Very high | 75.3 | Confident | 42 Ų | 42 | 68 Ų | 68 | 18% | 0.183 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 131.8 | 168 | -169.8 | 175.5 | -172.2 | 154 | 0 | 109.8 | Y191 I204 F238 A239 I241 I387 | Y191-K193 HydrophobicContact CE2-CB 4.49Å; K193-I204 WeakPolarHBondContact CA-O 3.41Å; K193-F238 WeakPolarHBondContact O-CA 3.32Å; K193-A239 HydrophobicContact CB-CB 4.46Å; K193-A239 PolarHBondContact N-O 3.44Å; K193-A239 PolarHBondContact O-N 2.8Å; K193-I241 HydrophobicContact CB-CD1 4.08Å; K193-I241 HydrophobicContact CD-CD1 4.45Å; K193-I387 HydrophobicContact CD-CD1 4.42Å; K193-I387 HydrophobicContact CD-CG2 3.57Å |
| 194 | L | 91.2 | Very high | 77.7 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 139.8 | 179.5 | -60.8 | 85.2 | 0 | 0 | 0 | 109.5 | V166 I168 V192 I204 F221 F223 H237 F238 | V166-L194 HydrophobicContact CB-CD2 4.14Å; V166-L194 HydrophobicContact CG1-CD2 3.67Å; I168-L194 HydrophobicContact CD1-CD1 4.46Å; I168-L194 HydrophobicContact CD1-CD2 3.82Å; I168-L194 HydrophobicContact CD1-CG 4.37Å; I168-L194 HydrophobicContact CG1-CD1 4.14Å; I168-L194 HydrophobicContact CG1-CD2 4Å; V192-L194 HydrophobicContact CG1-CD1 4.22Å; L194-I204 PolarHBondContact N-O 3.39Å; L194-I204 PolarHBondContact O-N 2.87Å; L194-I204 VanDerWaalsContact O-N 3.08Å; L194-F221 HydrophobicContact CD1-CD2 3.93Å; L194-F221 HydrophobicContact CD1-CE2 3.8Å; L194-F221 HydrophobicContact CD2-CD2 3.85Å; L194-F221 HydrophobicContact CD2-CE2 4.48Å; L194-F223 HydrophobicContact CB-CZ 4.4Å; L194-H237 WeakPolarHBondContact CA-O 3.38Å; L194-F238 HydrophobicContact CD2-CD1 4.18Å; L194-F238 HydrophobicContact CD2-CE1 3.77Å; L194-F238 HydrophobicContact CG-CD1 3.94Å; L194-F238 HydrophobicContact CG-CE1 4.06Å |
| 195 | Q | 86.5 | Confident | 79.6 | Confident | 16 Ų | 16 | 56.7 Ų | 56.7 | 8% | 0.075 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 149.8 | 168.7 | 64.1 | -177.5 | 4.8 | 0 | 0 | 110.7 | K203 H237 | Q195-K203 HydrophobicContact CB-CG 4.48Å; Q195-H237 HydrophobicContact CG-CB 3.86Å; Q195-H237 PolarHBondContact N-O 2.57Å; Q195-H237 PolarHBondContact NE2-ND1 3.1Å; Q195-H237 PolarHBondContact O-N 3.41Å |
| 196 | L | 85.7 | Confident | 81.5 | Confident | 9 Ų | 9 | 50.4 Ų | 50.4 | 5% | 0.047 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 147.9 | 169.6 | -63.8 | 170.7 | 0 | 0 | 0 | 109.4 | L164 E199 F223 I226 T234 L236 | L164-L196 HydrophobicContact CD2-CD2 4.27Å; L196-E199 CarbonylContact C-O 3.49Å; L196-E199 CarbonylContact O-C 3.47Å; L196-F223 HydrophobicContact CD1-CB 4.04Å; L196-F223 HydrophobicContact CD1-CD1 3.5Å; L196-F223 VanDerWaalsContact CD1-CD1 3.5Å; L196-F223 HydrophobicContact CD1-CD2 4.41Å; L196-F223 HydrophobicContact CD1-CE1 3.98Å; L196-F223 HydrophobicContact CD1-CG 3.74Å; L196-F223 HydrophobicContact CG-CD1 4.12Å; L196-F223 HydrophobicContact CG-CE1 4.1Å; L196-F223 HydrophobicContact CG-CG 4.49Å; L196-F223 HydrophobicContact CG-CZ 4.45Å; L196-I226 HydrophobicContact CD1-CD1 3.25Å; L196-I226 HydrophobicContact CD1-CG1 4.49Å; L196-T234 HydrophobicContact CB-CG2 4.14Å; L196-T234 HydrophobicContact CD2-CG2 3.76Å; L196-T234 HydrophobicContact CG-CG2 4.43Å; L196-L236 HydrophobicContact CD2-CB 4.35Å; L196-L236 HydrophobicContact CD2-CD1 3.71Å |
| 197 | L | 78.7 | Confident | 83.1 | Confident | 6 Ų | 6 | 54.1 Ų | 54.1 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 144.3 | -178.9 | -62.5 | 160.5 | 0 | 0 | 0 | 108.3 | K200 T234 T235 H237 L256 L321 T322 | L197-K200 HydrophobicContact CD2-CG 4.14Å; L197-T234 VanDerWaalsContact O-CA 3.29Å; L197-T234 WeakPolarHBondContact O-CA 3.43Å; L197-T235 PolarHBondContact N-O 3.28Å; L197-T235 PolarHBondContact O-N 2.96Å; L197-H237 HydrophobicContact CD1-CB 3.53Å; L197-H237 HydrophobicContact CG-CB 4.38Å; L197-L256 HydrophobicContact CD1-CD2 4.38Å; L197-L321 HydrophobicContact CD1-CB 3.43Å; L197-L321 VanDerWaalsContact CD1-CB 3.43Å; L197-L321 HydrophobicContact CD1-CD1 3.41Å; L197-L321 VanDerWaalsContact CD1-CD1 3.41Å; L197-L321 HydrophobicContact CD1-CG 3.99Å; L197-L321 HydrophobicContact CD2-CB 4.26Å; L197-L321 HydrophobicContact CG-CB 4.34Å; L197-T322 HydrophobicContact CD2-CG2 4.02Å |
| 198 | P | 68.5 | Low | 84.3 | Confident | 74 Ų | 74 | 52.2 Ų | 52.2 | 48% | 0.481 | 25% | 0.246 | S | C | . | . | S | Bend | cis | -84.4 | -17.9 | 12.9 | 32.9 | -36.5 | 0 | 0 | 0 | 114.4 | K200 T322 | P198-K200 PolarHBondContact O-N 3.36Å; P198-T322 VanDerWaalsContact O-CG2 3.26Å; P198-T322 WeakPolarHBondContact O-CG2 3.37Å |
| 199 | E | 66.8 | Low | 84.8 | Confident | 128 Ų | 128 | 52.9 Ų | 52.9 | 60% | 0.598 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -73.2 | 95.3 | 178.9 | -64.6 | -177.8 | -168.9 | 0 | 0 | 108.8 | L196 Q201 | L196-E199 CarbonylContact C-O 3.49Å; L196-E199 CarbonylContact O-C 3.47Å; E199-Q201 HydrophobicContact CB-CG 4.5Å; E199-Q201 PolarHBondContact O-N 3.15Å |
| 200 | K | 60 | Low | 84.7 | Confident | 63 Ų | 63 | 60.1 Ų | 60.1 | 27% | 0.274 | 28% | 0.275 | S | S | . | . | trans | -61.4 | 31.7 | 175.6 | -64.1 | -173.9 | -179.1 | -175.1 | 0 | 113.8 | L197 P198 K203 D320 T322 | L197-K200 HydrophobicContact CD2-CG 4.14Å; P198-K200 PolarHBondContact O-N 3.36Å; K200-K203 WeakPolarHBondContact O-CE 3.42Å; K200-D320 IonicContact NZ-OD1 2.68Å; K200-D320 IonicContact NZ-OD2 3.36Å; K200-D320 PolarHBondContact NZ-OD2 2.83Å; K200-T322 HydrophobicContact CD-CG2 4.08Å; K200-T322 VanDerWaalsContact CE-CG2 3.43Å; K200-T322 WeakPolarHBondContact CE-OG1 3.15Å; K200-T322 HydrophobicContact CG-CG2 3.75Å | ||
| 201 | Q | 60.7 | Low | 84.4 | Confident | 125 Ų | 125 | 64.6 Ų | 64.6 | 58% | 0.584 | 30% | 0.299 | S | S | * | . | trans | -89.5 | 171.7 | 170 | -57.5 | -60.2 | -17.6 | 0 | 0 | 109.4 | E199 | E199-Q201 HydrophobicContact CB-CG 4.5Å; E199-Q201 PolarHBondContact O-N 3.15Å | ||
| 202 | H | 68.2 | Low | 84.3 | Confident | 91 Ų | 91 | 65.1 Ų | 65.1 | 42% | 0.421 | 30% | 0.304 | S | S | . | . | trans | 57.2 | 57.1 | 178.8 | -44.8 | 98 | 0 | 0 | 0 | 113.7 | I204 F223 | H202-I204 PolarHBondContact O-N 3.45Å; H202-F223 HydrophobicContact CB-CD1 3.48Å; H202-F223 VanDerWaalsContact CB-CD1 3.48Å; H202-F223 HydrophobicContact CB-CE1 3.5Å; H202-F223 VanDerWaalsContact CB-CE1 3.5Å; H202-F223 WeakPolarHBondContact O-CE1 3.4Å | ||
| 203 | K | 77.2 | Confident | 84 | Confident | 86 Ų | 86 | 65.9 Ų | 65.9 | 37% | 0.374 | 31% | 0.311 | S | S | . | . | trans | -81.9 | 115.6 | 173.5 | -71 | 168.4 | 176.2 | -176.8 | 0 | 108.9 | Q195 K200 I387 | Q195-K203 HydrophobicContact CB-CG 4.48Å; K200-K203 WeakPolarHBondContact O-CE 3.42Å; K203-I387 HydrophobicContact CD-CD1 3.79Å | ||
| 204 | I | 90.7 | Very high | 84.1 | Confident | 48 Ų | 48 | 67.6 Ų | 67.6 | 25% | 0.246 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 153.5 | 178.8 | -48.9 | 175.3 | 0 | 0 | 0 | 108.3 | K193 L194 H202 F221 F223 | K193-I204 WeakPolarHBondContact CA-O 3.41Å; L194-I204 PolarHBondContact N-O 3.39Å; L194-I204 PolarHBondContact O-N 2.87Å; L194-I204 VanDerWaalsContact O-N 3.08Å; H202-I204 PolarHBondContact O-N 3.45Å; I204-F221 HydrophobicContact CB-CD1 4.28Å; I204-F221 HydrophobicContact CD1-CB 4.12Å; I204-F221 HydrophobicContact CG2-CB 4.48Å; I204-F221 HydrophobicContact CG2-CD1 3.17Å; I204-F221 HydrophobicContact CG2-CE1 3.39Å; I204-F221 HydrophobicContact CG2-CG 3.85Å; I204-F221 HydrophobicContact CG2-CZ 4.24Å; I204-F223 HydrophobicContact CD1-CD1 4.14Å; I204-F223 HydrophobicContact CD1-CE1 3.54Å; I204-F223 HydrophobicContact CD1-CE2 4.4Å; I204-F223 HydrophobicContact CD1-CZ 3.7Å; I204-F223 HydrophobicContact CG1-CE1 4.15Å; I204-F223 HydrophobicContact CG1-CZ 4.36Å |
| 205 | K | 93.7 | Very high | 84.3 | Confident | 144 Ų | 144 | 67.6 Ų | 67.6 | 63% | 0.626 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 148.7 | 177.2 | 61.7 | 177.3 | -177.1 | 173.6 | 0 | 110.1 | Y191 V192 | Y191-K205 HydrophobicContact CD2-CB 4.22Å; Y191-K205 HydrophobicContact CE2-CB 4.46Å; V192-K205 CarbonylContact O-C 3.5Å; V192-K205 VanDerWaalsContact O-CA 3.23Å; V192-K205 WeakPolarHBondContact O-CA 3.4Å |
| 206 | T | 96.7 | Very high | 84.8 | Confident | 6 Ų | 6 | 71.1 Ų | 71.1 | 4% | 0.037 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 171.2 | 169.9 | 65.4 | 0 | 0 | 0 | 0 | 111.4 | I168 V192 Y217 E219 F221 | I168-T206 HydrophobicContact CB-CG2 4.19Å; I168-T206 HydrophobicContact CG1-CG2 4.26Å; I168-T206 HydrophobicContact CG2-CG2 4.01Å; V192-T206 HydrophobicContact CB-CG2 3.91Å; V192-T206 HydrophobicContact CG2-CG2 4.39Å; V192-T206 PolarHBondContact N-OG1 2.97Å; V192-T206 PolarHBondContact O-N 2.84Å; T206-Y217 HydrophobicContact CG2-CD1 4.01Å; T206-Y217 HydrophobicContact CG2-CG 4.11Å; T206-Y217 WeakPolarHBondContact OG1-CD1 3.46Å; T206-Y217 VanDerWaalsContact OG1-CE1 3.3Å; T206-Y217 WeakPolarHBondContact OG1-CE1 3.47Å; T206-E219 WeakPolarHBondContact CA-OE2 3.11Å; T206-F221 HydrophobicContact CG2-CE2 3.73Å; T206-F221 HydrophobicContact CG2-CZ 3.81Å |
| 207 | R | 95.8 | Very high | 85.4 | Confident | 125 Ų | 125 | 70.7 Ų | 70.7 | 47% | 0.472 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 156 | 159.4 | 80 | -169.6 | 170.2 | -113.5 | 5.1 | 111.3 | V209 V216 Y217 E219 | R207-V209 HydrophobicContact CG-CG2 4.15Å; R207-V216 PolarHBondContact NH2-O 2.86Å; R207-Y217 PolarHBondContact NH1-O 3.33Å; R207-Y217 PolarHBondContact NH2-O 2.79Å; R207-E219 VanDerWaalsContact CB-OE1 3.29Å; R207-E219 WeakPolarHBondContact CB-OE1 3.49Å; R207-E219 WeakPolarHBondContact CD-OE1 3.25Å; R207-E219 WeakPolarHBondContact CG-OE1 3.46Å; R207-E219 IonicContact CZ-OE1 3.73Å; R207-E219 PolarHBondContact N-OE1 3.29Å; R207-E219 PolarHBondContact N-OE2 2.79Å; R207-E219 VanDerWaalsContact N-OE2 3.11Å; R207-E219 IonicContact NE-OE1 2.68Å; R207-E219 IonicContact NH1-OE1 3.79Å; R207-E219 PolarHBondContact NH1-OE1 2.76Å |
| 208 | V | 95.6 | Very high | 86.2 | Confident | 55 Ų | 55 | 75.5 Ų | 75.5 | 33% | 0.333 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -81.3 | 122 | 168.1 | -179.7 | 0 | 0 | 0 | 0 | 108 | D189 Y191 F243 | D189-V208 HydrophobicContact CB-CG1 3.73Å; Y191-V208 HydrophobicContact CD1-CG2 4Å; Y191-V208 HydrophobicContact CG-CG2 4.23Å; V208-F243 HydrophobicContact CG1-CB 3.96Å; V208-F243 HydrophobicContact CG1-CD1 4.43Å; V208-F243 HydrophobicContact CG1-CG 4.38Å; V208-F243 HydrophobicContact CG2-CB 4.17Å; V208-F243 HydrophobicContact CG2-CG 4.31Å |
| 209 | V | 95.3 | Very high | 87.6 | Confident | 30 Ų | 30 | 73.7 Ų | 73.7 | 18% | 0.182 | 35% | 0.353 | C | S | . | . | trans | -98.3 | 115 | 174 | -174.4 | 0 | 0 | 0 | 0 | 107.3 | D189 P190 R207 T212 P215 Y217 | D189-V209 CarbonylContact C-O 3.58Å; D189-V209 WeakPolarHBondContact CA-O 3.41Å; P190-V209 WeakPolarHBondContact CD-O 3.28Å; P190-V209 PolarHBondContact O-N 2.9Å; R207-V209 HydrophobicContact CG-CG2 4.15Å; V209-T212 HydrophobicContact CB-CG2 4.1Å; V209-T212 HydrophobicContact CG1-CG2 3.56Å; V209-P215 HydrophobicContact CB-CB 3.79Å; V209-P215 HydrophobicContact CG1-CB 4.12Å; V209-P215 HydrophobicContact CG2-CB 3.99Å; V209-Y217 HydrophobicContact CG2-CD1 3.71Å; V209-Y217 HydrophobicContact CG2-CE1 3.68Å | ||
| 210 | R | 92.2 | Very high | 89 | Confident | 193 Ų | 193 | 72.5 Ų | 72.5 | 73% | 0.728 | 35% | 0.351 | S | S | * | . | trans | -77.1 | 148.3 | -172.1 | -65.4 | -171.6 | -179.8 | 176.3 | 0.1 | 112.6 | D189 T212 | D189-R210 WeakPolarHBondContact OD1-CA 3.41Å; D189-R210 WeakPolarHBondContact OD1-CB 3.5Å; R210-T212 PolarHBondContact O-N 3.04Å | ||
| 211 | N | 88.2 | Confident | 90.7 | Very high | 94 Ų | 94 | 70.6 Ų | 70.6 | 50% | 0.503 | 34% | 0.343 | S | S | . | . | S | Bend | trans | 57.4 | 45.6 | 163.2 | -165.2 | 93.3 | 0 | 0 | 0 | 113.7 | M187 L188 D189 | M187-N211 HydrophobicContact CB-CB 4.29Å; M187-N211 WeakPolarHBondContact CB-OD1 3.39Å; M187-N211 WeakPolarHBondContact CG-OD1 3.44Å; M187-N211 PolarHBondContact SD-ND2 3.18Å; M187-N211 PolarHBondContact SD-OD1 2.96Å; L188-N211 CarbonylContact O-C 3.52Å; L188-N211 VanDerWaalsContact O-CA 3.26Å; L188-N211 WeakPolarHBondContact O-CA 3.17Å; L188-N211 PolarHBondContact O-N 2.85Å; D189-N211 PolarHBondContact OD1-N 2.85Å |
| 212 | T | 91.5 | Very high | 92.3 | Very high | 32 Ų | 32 | 67.1 Ų | 67.1 | 20% | 0.196 | 33% | 0.33 | C | S | . | . | trans | -149.4 | 145.2 | -178.5 | -172.4 | 0 | 0 | 0 | 0 | 113.7 | L188 P190 V209 R210 D214 P215 | L188-T212 PolarHBondContact O-N 3.23Å; P190-T212 VanDerWaalsContact CD-O 3.29Å; P190-T212 WeakPolarHBondContact CD-O 3.37Å; P190-T212 HydrophobicContact CG-CG2 4.14Å; P190-T212 WeakPolarHBondContact CG-O 3.31Å; V209-T212 HydrophobicContact CB-CG2 4.1Å; V209-T212 HydrophobicContact CG1-CG2 3.56Å; R210-T212 PolarHBondContact O-N 3.04Å; T212-D214 PolarHBondContact OG1-N 3.43Å; T212-D214 PolarHBondContact OG1-O 2.8Å; T212-P215 HydrophobicContact CG2-CB 3.78Å | ||
| 213 | A | 90.3 | Very high | 93.4 | Very high | 16 Ų | 16 | 62.9 Ų | 62.9 | 13% | 0.132 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -95.4 | -9.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L174 P215 | L174-A213 HydrophobicContact CB-CB 4.43Å; L174-A213 VanDerWaalsContact CB-O 3.28Å; L174-A213 WeakPolarHBondContact CB-O 3.45Å; L174-A213 VanDerWaalsContact CG-O 3.24Å; L174-A213 WeakPolarHBondContact CG-O 3.44Å; L174-A213 PolarHBondContact N-O 3.45Å; L174-A213 VanDerWaalsContact N-O 3.15Å; A213-P215 VanDerWaalsContact C-CD 3.44Å; A213-P215 WeakPolarHBondContact O-CD 3.32Å |
| 214 | D | 93.3 | Very high | 94.1 | Very high | 78 Ų | 78 | 65.8 Ų | 65.8 | 42% | 0.417 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -129.2 | 64.5 | -176.5 | -55.3 | -75.1 | 0 | 0 | 0 | 109.3 | A171 S172 E173 T212 | A171-D214 CarbonylContact O-C 3.59Å; A171-D214 VanDerWaalsContact O-CA 3.26Å; A171-D214 WeakPolarHBondContact O-CA 3.2Å; S172-D214 WeakPolarHBondContact CA-OD1 3.41Å; S172-D214 WeakPolarHBondContact CB-OD1 3.36Å; E173-D214 PolarHBondContact N-OD1 3.18Å; T212-D214 PolarHBondContact OG1-N 3.43Å; T212-D214 PolarHBondContact OG1-O 2.8Å |
| 215 | P | 95.4 | Very high | 94 | Very high | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.006 | 34% | 0.336 | C | S | . | . | trans | -68.9 | 136.7 | -176.1 | 30.1 | -37.3 | 0 | 0 | 0 | 111.7 | S170 A171 L174 P190 V209 T212 A213 Y217 | S170-P215 CarbonylContact C-O 3.55Å; S170-P215 WeakPolarHBondContact CA-O 3.05Å; S170-P215 VanDerWaalsContact CB-O 3.27Å; S170-P215 WeakPolarHBondContact CB-O 3.33Å; A171-P215 HydrophobicContact CB-CG 3.81Å; A171-P215 PolarHBondContact N-O 2.92Å; A171-P215 WeakPolarHBondContact O-CD 3.23Å; L174-P215 HydrophobicContact CD1-CG 3.92Å; P190-P215 HydrophobicContact CB-CG 4.11Å; P190-P215 HydrophobicContact CG-CB 3.74Å; P190-P215 HydrophobicContact CG-CG 3.54Å; V209-P215 HydrophobicContact CB-CB 3.79Å; V209-P215 HydrophobicContact CG1-CB 4.12Å; V209-P215 HydrophobicContact CG2-CB 3.99Å; T212-P215 HydrophobicContact CG2-CB 3.78Å; A213-P215 VanDerWaalsContact C-CD 3.44Å; A213-P215 WeakPolarHBondContact O-CD 3.32Å; P215-Y217 HydrophobicContact CB-CE1 4.06Å; P215-Y217 HydrophobicContact CB-CE2 3.86Å; P215-Y217 HydrophobicContact CG-CE1 4.46Å; P215-Y217 HydrophobicContact CG-CE2 3.59Å; P215-Y217 VanDerWaalsContact CG-OH 3.29Å; P215-Y217 WeakPolarHBondContact CG-OH 3.49Å | ||
| 216 | V | 97 | Very high | 93.7 | Very high | 89 Ų | 89 | 60 Ų | 60 | 54% | 0.539 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 115.4 | 168.2 | -177.6 | 0 | 0 | 0 | 0 | 108.2 | R207 D218 | R207-V216 PolarHBondContact NH2-O 2.86Å; V216-D218 HydrophobicContact CG1-CB 4.48Å |
| 217 | Y | 97.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | -53.8 | -178 | -58.5 | -75.3 | 0 | 0 | 0 | 110.2 | I168 I169 A171 P190 Y191 V192 T206 R207 V209 P215 E219 | I168-Y217 HydrophobicContact CG2-CD2 3.57Å; I168-Y217 HydrophobicContact CG2-CE2 4.36Å; I168-Y217 HydrophobicContact CG2-CG 3.96Å; I169-Y217 PolarHBondContact O-N 2.84Å; A171-Y217 HydrophobicContact CB-CE2 4.31Å; P190-Y217 PolarHBondContact O-OH 2.83Å; Y191-Y217 WeakPolarHBondContact CA-OH 2.87Å; V192-Y217 HydrophobicContact CG2-CD2 4.18Å; V192-Y217 HydrophobicContact CG2-CE1 4.43Å; V192-Y217 HydrophobicContact CG2-CE2 3.49Å; V192-Y217 VanDerWaalsContact CG2-CE2 3.49Å; T206-Y217 HydrophobicContact CG2-CD1 4.01Å; T206-Y217 HydrophobicContact CG2-CG 4.11Å; T206-Y217 WeakPolarHBondContact OG1-CD1 3.46Å; T206-Y217 VanDerWaalsContact OG1-CE1 3.3Å; T206-Y217 WeakPolarHBondContact OG1-CE1 3.47Å; R207-Y217 PolarHBondContact NH1-O 3.33Å; R207-Y217 PolarHBondContact NH2-O 2.79Å; V209-Y217 HydrophobicContact CG2-CD1 3.71Å; V209-Y217 HydrophobicContact CG2-CE1 3.68Å; P215-Y217 HydrophobicContact CB-CE1 4.06Å; P215-Y217 HydrophobicContact CB-CE2 3.86Å; P215-Y217 HydrophobicContact CG-CE1 4.46Å; P215-Y217 HydrophobicContact CG-CE2 3.59Å; P215-Y217 VanDerWaalsContact CG-OH 3.29Å; P215-Y217 WeakPolarHBondContact CG-OH 3.49Å; Y217-E219 VanDerWaalsContact C-N 3.31Å; Y217-E219 PolarHBondContact O-N 2.96Å |
| 218 | D | 96.7 | Very high | 93.1 | Very high | 107 Ų | 107 | 59.8 Ų | 59.8 | 57% | 0.572 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 50.7 | 52.8 | -177.2 | -159.1 | 35.5 | 0 | 0 | 0 | 111.2 | H167 I168 I169 V216 | H167-D218 IonicContact CE1-OD1 2.7Å; H167-D218 PolarHBondContact CE1-OD1 2.75Å; H167-D218 IonicContact NE2-OD1 3.88Å; H167-D218 PolarHBondContact NE2-OD1 3.14Å; I168-D218 WeakPolarHBondContact O-CA 3.02Å; I168-D218 PolarHBondContact O-N 2.83Å; I169-D218 PolarHBondContact O-N 2.96Å; I169-D218 VanDerWaalsContact O-N 3.15Å; V216-D218 HydrophobicContact CG1-CB 4.48Å |
| 219 | E | 97.6 | Very high | 92.8 | Very high | 36 Ų | 36 | 62.9 Ų | 62.9 | 17% | 0.168 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 133.5 | -174.5 | -79.7 | 177.3 | -148.2 | 0 | 0 | 111.9 | H167 I168 T206 R207 Y217 F221 | H167-E219 CarbonylContact C-O 3.54Å; H167-E219 WeakPolarHBondContact CA-O 3.39Å; I168-E219 PolarHBondContact N-O 2.95Å; I168-E219 PolarHBondContact O-N 2.82Å; I168-E219 VanDerWaalsContact O-N 3.07Å; T206-E219 WeakPolarHBondContact CA-OE2 3.11Å; R207-E219 VanDerWaalsContact CB-OE1 3.29Å; R207-E219 WeakPolarHBondContact CB-OE1 3.49Å; R207-E219 WeakPolarHBondContact CD-OE1 3.25Å; R207-E219 WeakPolarHBondContact CG-OE1 3.46Å; R207-E219 IonicContact CZ-OE1 3.73Å; R207-E219 PolarHBondContact N-OE1 3.29Å; R207-E219 PolarHBondContact N-OE2 2.79Å; R207-E219 VanDerWaalsContact N-OE2 3.11Å; R207-E219 IonicContact NE-OE1 2.68Å; R207-E219 IonicContact NH1-OE1 3.79Å; R207-E219 PolarHBondContact NH1-OE1 2.76Å; Y217-E219 VanDerWaalsContact C-N 3.31Å; Y217-E219 PolarHBondContact O-N 2.96Å; E219-F221 HydrophobicContact CB-CE2 4.07Å; E219-F221 HydrophobicContact CB-CZ 3.88Å |
| 220 | D | 95.7 | Very high | 92.4 | Very high | 104 Ų | 104 | 65.6 Ų | 65.6 | 56% | 0.556 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 133.5 | 177.8 | -71.3 | -46.2 | 0 | 0 | 0 | 112.5 | H167 | H167-D220 WeakPolarHBondContact CB-OD1 3.49Å; H167-D220 IonicContact CE1-OD1 3.48Å; H167-D220 IonicContact CG-OD1 3.14Å; H167-D220 VanDerWaalsContact CG-OD1 3.23Å; H167-D220 IonicContact ND1-OD1 3.55Å; H167-D220 PolarHBondContact ND1-OD1 2.85Å; H167-D220 IonicContact ND1-OD2 2.83Å |
| 221 | F | 95.5 | Very high | 92.1 | Very high | 23 Ų | 23 | 56.6 Ų | 56.6 | 10% | 0.101 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 126.9 | 173.4 | -55.9 | -64.3 | 0 | 0 | 0 | 110.4 | T165 V166 I168 L194 I204 T206 E219 F223 | T165-F221 CarbonylContact C-O 3.53Å; T165-F221 WeakPolarHBondContact CA-O 3.17Å; V166-F221 PolarHBondContact N-O 3.07Å; V166-F221 PolarHBondContact O-N 3.07Å; I168-F221 HydrophobicContact CB-CE2 4.36Å; I168-F221 HydrophobicContact CG1-CD2 4.01Å; I168-F221 HydrophobicContact CG1-CE2 3.78Å; L194-F221 HydrophobicContact CD1-CD2 3.93Å; L194-F221 HydrophobicContact CD1-CE2 3.8Å; L194-F221 HydrophobicContact CD2-CD2 3.85Å; L194-F221 HydrophobicContact CD2-CE2 4.48Å; I204-F221 HydrophobicContact CB-CD1 4.28Å; I204-F221 HydrophobicContact CD1-CB 4.12Å; I204-F221 HydrophobicContact CG2-CB 4.48Å; I204-F221 HydrophobicContact CG2-CD1 3.17Å; I204-F221 HydrophobicContact CG2-CE1 3.39Å; I204-F221 HydrophobicContact CG2-CG 3.85Å; I204-F221 HydrophobicContact CG2-CZ 4.24Å; T206-F221 HydrophobicContact CG2-CE2 3.73Å; T206-F221 HydrophobicContact CG2-CZ 3.81Å; E219-F221 HydrophobicContact CB-CE2 4.07Å; E219-F221 HydrophobicContact CB-CZ 3.88Å; F221-F223 HydrophobicContact CB-CE2 4.4Å |
| 222 | V | 94 | Very high | 91.9 | Very high | 52 Ų | 52 | 56.4 Ų | 56.4 | 32% | 0.315 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 123.2 | -179.3 | -172 | 0 | 0 | 0 | 0 | 109.9 | A163 T165 Y224 | A163-V222 HydrophobicContact CB-CG1 3.91Å; T165-V222 HydrophobicContact CG2-CG2 4.15Å; V222-Y224 HydrophobicContact CB-CE2 4.02Å; V222-Y224 HydrophobicContact CG1-CD1 4.2Å; V222-Y224 HydrophobicContact CG1-CD2 4.19Å; V222-Y224 HydrophobicContact CG1-CE1 3.76Å; V222-Y224 HydrophobicContact CG1-CE2 3.75Å; V222-Y224 HydrophobicContact CG1-CG 4.4Å |
| 223 | F | 92.2 | Very high | 91.6 | Very high | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.009 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 107 | 173.8 | -60.3 | -88.1 | 0 | 0 | 0 | 109.4 | A163 L164 V166 L194 L196 H202 I204 F221 I226 | A163-F223 CarbonylContact C-O 3.59Å; A163-F223 VanDerWaalsContact CA-O 3.27Å; A163-F223 WeakPolarHBondContact CA-O 3.09Å; L164-F223 HydrophobicContact CB-CB 4.38Å; L164-F223 PolarHBondContact N-O 2.95Å; L164-F223 PolarHBondContact O-N 3.44Å; V166-F223 HydrophobicContact CB-CE2 4.27Å; V166-F223 HydrophobicContact CG2-CD2 3.9Å; V166-F223 HydrophobicContact CG2-CE2 3.57Å; L194-F223 HydrophobicContact CB-CZ 4.4Å; L196-F223 HydrophobicContact CD1-CB 4.04Å; L196-F223 HydrophobicContact CD1-CD1 3.5Å; L196-F223 VanDerWaalsContact CD1-CD1 3.5Å; L196-F223 HydrophobicContact CD1-CD2 4.41Å; L196-F223 HydrophobicContact CD1-CE1 3.98Å; L196-F223 HydrophobicContact CD1-CG 3.74Å; L196-F223 HydrophobicContact CG-CD1 4.12Å; L196-F223 HydrophobicContact CG-CE1 4.1Å; L196-F223 HydrophobicContact CG-CG 4.49Å; L196-F223 HydrophobicContact CG-CZ 4.45Å; H202-F223 HydrophobicContact CB-CD1 3.48Å; H202-F223 VanDerWaalsContact CB-CD1 3.48Å; H202-F223 HydrophobicContact CB-CE1 3.5Å; H202-F223 VanDerWaalsContact CB-CE1 3.5Å; H202-F223 WeakPolarHBondContact O-CE1 3.4Å; I204-F223 HydrophobicContact CD1-CD1 4.14Å; I204-F223 HydrophobicContact CD1-CE1 3.54Å; I204-F223 HydrophobicContact CD1-CE2 4.4Å; I204-F223 HydrophobicContact CD1-CZ 3.7Å; I204-F223 HydrophobicContact CG1-CE1 4.15Å; I204-F223 HydrophobicContact CG1-CZ 4.36Å; F221-F223 HydrophobicContact CB-CE2 4.4Å; F223-I226 HydrophobicContact CB-CD1 3.47Å; F223-I226 VanDerWaalsContact CB-CD1 3.47Å; F223-I226 HydrophobicContact CB-CG1 4.48Å; F223-I226 HydrophobicContact CG-CD1 4.37Å |
| 224 | Y | 91.3 | Very high | 91.3 | Very high | 147 Ų | 147 | 61.3 Ų | 61.3 | 58% | 0.576 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 153.8 | 179.8 | -64.3 | -79.7 | 0 | 0 | 0 | 112.5 | A163 V222 | A163-Y224 HydrophobicContact CB-CD1 3.85Å; A163-Y224 HydrophobicContact CB-CE1 4.16Å; V222-Y224 HydrophobicContact CB-CE2 4.02Å; V222-Y224 HydrophobicContact CG1-CD1 4.2Å; V222-Y224 HydrophobicContact CG1-CD2 4.19Å; V222-Y224 HydrophobicContact CG1-CE1 3.76Å; V222-Y224 HydrophobicContact CG1-CE2 3.75Å; V222-Y224 HydrophobicContact CG1-CG 4.4Å |
| 225 | G | 88.8 | Confident | 90.9 | Very high | 56 Ų | 56 | 59.3 Ų | 59.3 | 58% | 0.577 | 32% | 0.316 | S | S | * | . | S | Bend | trans | 79.9 | 19.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | N162 | N162-G225 PolarHBondContact O-N 2.97Š|
| 226 | I | 87.7 | Confident | 90.5 | Very high | 13 Ų | 13 | 59.3 Ų | 59.3 | 7% | 0.067 | 32% | 0.315 | C | S | . | . | trans | -101.3 | 111 | 177.9 | -56.4 | 173.9 | 0 | 0 | 0 | 107.9 | Y157 N162 L164 L196 F223 Q230 L231 | Y157-I226 WeakPolarHBondContact CE2-O 3.49Å; Y157-I226 PolarHBondContact OH-O 2.77Å; N162-I226 CarbonylContact C-O 3.54Å; N162-I226 PolarHBondContact O-N 2.95Å; L164-I226 HydrophobicContact CB-CD1 4.4Å; L196-I226 HydrophobicContact CD1-CD1 3.25Å; L196-I226 HydrophobicContact CD1-CG1 4.49Å; F223-I226 HydrophobicContact CB-CD1 3.47Å; F223-I226 VanDerWaalsContact CB-CD1 3.47Å; F223-I226 HydrophobicContact CB-CG1 4.48Å; F223-I226 HydrophobicContact CG-CD1 4.37Å; I226-Q230 HydrophobicContact CG2-CB 4.29Å; I226-L231 HydrophobicContact CG2-CD2 3.54Å; I226-L231 HydrophobicContact CG2-CG 3.91Å | ||
| 227 | N | 90.2 | Very high | 90.1 | Very high | 74 Ų | 74 | 55.2 Ų | 55.2 | 40% | 0.396 | 29% | 0.291 | S | S | . | . | trans | -75.2 | 153.4 | 177.1 | -65.1 | -38.2 | 0 | 0 | 0 | 110.9 | N229 Q230 L231 | N227-N229 PolarHBondContact O-N 2.9Å; N227-N229 VanDerWaalsContact O-N 3.17Å; N227-Q230 HydrophobicContact CB-CG 4.36Å; N227-Q230 WeakPolarHBondContact O-CA 3.3Å; N227-Q230 WeakPolarHBondContact O-CB 3.47Å; N227-Q230 PolarHBondContact O-N 2.75Å; N227-L231 PolarHBondContact O-N 2.99Å; N227-L231 VanDerWaalsContact O-N 3.08Å | ||
| 228 | Y | 89 | Confident | 89.7 | Confident | 54 Ų | 54 | 55.2 Ų | 55.2 | 21% | 0.212 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.3 | -35.7 | 179.2 | -176.6 | -97.8 | 0 | 0 | 0 | 113.3 | Y157 F159 Q230 L231 L264 K265 | Y157-Y228 HydrophobicContact CD1-CD2 4.31Å; Y157-Y228 HydrophobicContact CE1-CD2 4.08Å; Y157-Y228 PolarHBondContact OH-N 3.34Å; Y157-Y228 VanDerWaalsContact OH-N 3.13Å; F159-Y228 HydrophobicContact CE1-CD1 4.48Å; F159-Y228 AromaticContact CE1-CD2 3.59Å; F159-Y228 HydrophobicContact CE1-CD2 3.59Å; F159-Y228 HydrophobicContact CE1-CE2 4.34Å; F159-Y228 AromaticContact CE1-CG 3.69Å; F159-Y228 HydrophobicContact CE1-CG 3.69Å; F159-Y228 AromaticContact CZ-CD2 3.5Å; F159-Y228 HydrophobicContact CZ-CD2 3.5Å; F159-Y228 AromaticContact CZ-CE2 3.91Å; F159-Y228 HydrophobicContact CZ-CE2 3.91Å; F159-Y228 HydrophobicContact CZ-CG 4.1Å; Y228-Q230 VanDerWaalsContact C-N 3.31Å; Y228-Q230 PolarHBondContact O-N 3.27Å; Y228-L231 HydrophobicContact CD2-CD1 4.06Å; Y228-L231 WeakPolarHBondContact O-CB 3.42Å; Y228-L231 PolarHBondContact O-N 3.02Å; Y228-L264 WeakPolarHBondContact CE2-O 3.37Å; Y228-K265 HydrophobicContact CE2-CG 4.35Å; Y228-K265 WeakPolarHBondContact OH-CG 3.13Å |
| 229 | N | 89 | Confident | 89.4 | Confident | 120 Ų | 120 | 50.3 Ų | 50.3 | 64% | 0.642 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -66.4 | -32.9 | 175.2 | -66.2 | -21.3 | 0 | 0 | 0 | 112.5 | N227 | N227-N229 PolarHBondContact O-N 2.9Å; N227-N229 VanDerWaalsContact O-N 3.17Å |
| 230 | Q | 87.1 | Confident | 89.1 | Confident | 86 Ų | 86 | 48.6 Ų | 48.6 | 40% | 0.402 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -72.5 | -34.4 | 175.8 | -68.8 | 171.3 | -41 | 0 | 0 | 111.2 | I226 N227 Y228 Q232 N233 T234 | I226-Q230 HydrophobicContact CG2-CB 4.29Å; N227-Q230 HydrophobicContact CB-CG 4.36Å; N227-Q230 WeakPolarHBondContact O-CA 3.3Å; N227-Q230 WeakPolarHBondContact O-CB 3.47Å; N227-Q230 PolarHBondContact O-N 2.75Å; Y228-Q230 VanDerWaalsContact C-N 3.31Å; Y228-Q230 PolarHBondContact O-N 3.27Å; Q230-Q232 PolarHBondContact O-N 3.13Å; Q230-N233 CarbonylContact O-C 3.58Å; Q230-N233 PolarHBondContact O-N 3.46Å; Q230-T234 PolarHBondContact O-N 3.02Å; Q230-T234 PolarHBondContact O-OG1 3.41Å |
| 231 | L | 86.6 | Confident | 88.9 | Confident | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -54.7 | -35.1 | 175.5 | -68.7 | 176.4 | 0 | 0 | 0 | 112.4 | Y157 L164 I226 N227 Y228 N233 T234 L259 | Y157-L231 HydrophobicContact CD1-CD1 4.1Å; Y157-L231 HydrophobicContact CD2-CD1 3.56Å; Y157-L231 HydrophobicContact CE1-CD1 4.17Å; Y157-L231 HydrophobicContact CE2-CD1 3.61Å; Y157-L231 HydrophobicContact CE2-CG 4.32Å; Y157-L231 HydrophobicContact CG-CD1 3.8Å; L164-L231 HydrophobicContact CD2-CD2 4.2Å; I226-L231 HydrophobicContact CG2-CD2 3.54Å; I226-L231 HydrophobicContact CG2-CG 3.91Å; N227-L231 PolarHBondContact O-N 2.99Å; N227-L231 VanDerWaalsContact O-N 3.08Å; Y228-L231 HydrophobicContact CD2-CD1 4.06Å; Y228-L231 WeakPolarHBondContact O-CB 3.42Å; Y228-L231 PolarHBondContact O-N 3.02Å; L231-N233 PolarHBondContact O-N 3.33Å; L231-T234 PolarHBondContact O-N 3.19Å; L231-L259 HydrophobicContact CD2-CD1 3.62Å |
| 232 | Q | 84.3 | Confident | 88.6 | Confident | 91 Ų | 91 | 43.3 Ų | 43.3 | 43% | 0.425 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -24.2 | -179.7 | -62.4 | -176.7 | 2.7 | 0 | 0 | 113.5 | Q230 N260 | Q230-Q232 PolarHBondContact O-N 3.13Å; Q232-N260 WeakPolarHBondContact O-CB 3.15Å; Q232-N260 PolarHBondContact O-ND2 3.01Å |
| 233 | N | 84.1 | Confident | 88.4 | Confident | 132 Ų | 132 | 44.8 Ų | 44.8 | 71% | 0.706 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109 | 12.2 | 176.8 | -62.8 | -30.9 | 0 | 0 | 0 | 112 | Q230 L231 | Q230-N233 CarbonylContact O-C 3.58Å; Q230-N233 PolarHBondContact O-N 3.46Å; L231-N233 PolarHBondContact O-N 3.33Å |
| 234 | T | 84.5 | Confident | 88.1 | Confident | 18 Ų | 18 | 47.6 Ų | 47.6 | 11% | 0.11 | 25% | 0.249 | C | C | . | . | trans | -106.7 | 135.4 | -176.9 | -58.5 | 0 | 0 | 0 | 0 | 110.8 | L196 L197 Q230 L231 L259 | L196-T234 HydrophobicContact CB-CG2 4.14Å; L196-T234 HydrophobicContact CD2-CG2 3.76Å; L196-T234 HydrophobicContact CG-CG2 4.43Å; L197-T234 VanDerWaalsContact O-CA 3.29Å; L197-T234 WeakPolarHBondContact O-CA 3.43Å; Q230-T234 PolarHBondContact O-N 3.02Å; Q230-T234 PolarHBondContact O-OG1 3.41Å; L231-T234 PolarHBondContact O-N 3.19Å; T234-L259 HydrophobicContact CG2-CD1 3.88Å; T234-L259 WeakPolarHBondContact O-CB 3.27Å; T234-L259 PolarHBondContact O-N 2.88Å | ||
| 235 | T | 84.6 | Confident | 87.8 | Confident | 37 Ų | 37 | 47.6 Ų | 47.6 | 23% | 0.227 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 128.7 | 170.9 | -62.4 | 0 | 0 | 0 | 0 | 109.3 | L197 L256 P258 | L197-T235 PolarHBondContact N-O 3.28Å; L197-T235 PolarHBondContact O-N 2.96Å; T235-L256 HydrophobicContact CG2-CB 4.27Å; T235-L256 HydrophobicContact CG2-CD2 3.91Å; T235-P258 HydrophobicContact CG2-CG 4.46Å |
| 236 | L | 88.4 | Confident | 87.4 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 125 | 171.7 | -177.6 | 61.9 | 0 | 0 | 0 | 109 | L155 V166 L196 F238 C257 L259 | L155-L236 HydrophobicContact CD2-CD2 3.74Å; V166-L236 HydrophobicContact CG1-CD2 3.92Å; V166-L236 HydrophobicContact CG2-CD1 4.47Å; V166-L236 HydrophobicContact CG2-CD2 3.78Å; L196-L236 HydrophobicContact CD2-CB 4.35Å; L196-L236 HydrophobicContact CD2-CD1 3.71Å; L236-F238 HydrophobicContact CD2-CE1 3.88Å; L236-F238 HydrophobicContact CD2-CE2 3.9Å; L236-F238 HydrophobicContact CD2-CZ 3.23Å; L236-F238 HydrophobicContact CG-CE1 4.02Å; L236-F238 HydrophobicContact CG-CE2 3.87Å; L236-F238 HydrophobicContact CG-CZ 3.55Å; L236-C257 HydrophobicContact CB-CB 4.4Å; L236-C257 PolarHBondContact N-O 2.87Å; L236-C257 PolarHBondContact O-N 3.38Å; L236-L259 HydrophobicContact CB-CD2 4.05Å; L236-L259 HydrophobicContact CB-CG 4.47Å |
| 237 | H | 87.1 | Confident | 87 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.019 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 134 | 178.8 | 172.1 | -121.7 | 0 | 0 | 0 | 110.7 | L194 Q195 L197 E254 A255 L256 L321 | L194-H237 WeakPolarHBondContact CA-O 3.38Å; Q195-H237 HydrophobicContact CG-CB 3.86Å; Q195-H237 PolarHBondContact N-O 2.57Å; Q195-H237 PolarHBondContact NE2-ND1 3.1Å; Q195-H237 PolarHBondContact O-N 3.41Å; L197-H237 HydrophobicContact CD1-CB 3.53Å; L197-H237 HydrophobicContact CG-CB 4.38Å; H237-E254 IonicContact CE1-OE1 3.45Å; H237-E254 PolarHBondContact CE1-OE1 3.07Å; H237-E254 VanDerWaalsContact NE2-CD 3.31Å; H237-E254 IonicContact NE2-OE1 3.23Å; H237-E254 PolarHBondContact NE2-OE1 2.83Å; H237-E254 IonicContact NE2-OE2 3.19Å; H237-A255 PolarHBondContact CD2-O 3.23Å; H237-L256 HydrophobicContact CB-CD2 3.76Å; H237-L256 VanDerWaalsContact CD2-CD2 3.5Å; H237-L256 WeakPolarHBondContact CD2-CD2 3.33Å; H237-L321 HydrophobicContact CB-CD1 4.33Å |
| 238 | F | 90.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 130.1 | 174.6 | -53.3 | -81.8 | 0 | 0 | 0 | 108.9 | L151 Y153 V166 I168 V192 K193 L194 L236 E254 A255 C257 | L151-F238 HydrophobicContact CD2-CB 3.49Å; L151-F238 VanDerWaalsContact CD2-CB 3.49Å; L151-F238 HydrophobicContact CD2-CD1 3.66Å; L151-F238 HydrophobicContact CD2-CD2 3.98Å; L151-F238 HydrophobicContact CD2-CE1 4.34Å; L151-F238 HydrophobicContact CD2-CG 3.43Å; L151-F238 VanDerWaalsContact CD2-CG 3.43Å; Y153-F238 HydrophobicContact CD1-CE2 4.03Å; Y153-F238 AromaticContact CD1-CZ 3.9Å; Y153-F238 HydrophobicContact CD1-CZ 3.9Å; Y153-F238 HydrophobicContact CD2-CE1 4.47Å; Y153-F238 HydrophobicContact CD2-CE2 4.26Å; Y153-F238 AromaticContact CD2-CZ 3.61Å; Y153-F238 HydrophobicContact CD2-CZ 3.61Å; Y153-F238 HydrophobicContact CE1-CD2 4.42Å; Y153-F238 AromaticContact CE1-CE2 3.62Å; Y153-F238 HydrophobicContact CE1-CE2 3.62Å; Y153-F238 AromaticContact CE1-CZ 3.9Å; Y153-F238 HydrophobicContact CE1-CZ 3.9Å; Y153-F238 AromaticContact CE2-CE2 3.85Å; Y153-F238 HydrophobicContact CE2-CE2 3.85Å; Y153-F238 AromaticContact CE2-CZ 3.6Å; Y153-F238 HydrophobicContact CE2-CZ 3.6Å; Y153-F238 HydrophobicContact CG-CE1 4.37Å; Y153-F238 HydrophobicContact CG-CE2 4.34Å; Y153-F238 AromaticContact CG-CZ 3.76Å; Y153-F238 HydrophobicContact CG-CZ 3.76Å; Y153-F238 AromaticContact CZ-CE2 3.52Å; Y153-F238 AromaticContact CZ-CZ 3.76Å; V166-F238 HydrophobicContact CG1-CE1 4.11Å; V166-F238 HydrophobicContact CG1-CZ 4.32Å; I168-F238 HydrophobicContact CD1-CD1 3.96Å; I168-F238 HydrophobicContact CD1-CE1 3.5Å; I168-F238 VanDerWaalsContact CD1-CE1 3.5Å; I168-F238 HydrophobicContact CD1-CZ 4.45Å; V192-F238 HydrophobicContact CG1-CB 4.19Å; V192-F238 HydrophobicContact CG1-CD1 4.1Å; K193-F238 WeakPolarHBondContact O-CA 3.32Å; L194-F238 HydrophobicContact CD2-CD1 4.18Å; L194-F238 HydrophobicContact CD2-CE1 3.77Å; L194-F238 HydrophobicContact CG-CD1 3.94Å; L194-F238 HydrophobicContact CG-CE1 4.06Å; L236-F238 HydrophobicContact CD2-CE1 3.88Å; L236-F238 HydrophobicContact CD2-CE2 3.9Å; L236-F238 HydrophobicContact CD2-CZ 3.23Å; L236-F238 HydrophobicContact CG-CE1 4.02Å; L236-F238 HydrophobicContact CG-CE2 3.87Å; L236-F238 HydrophobicContact CG-CZ 3.55Å; F238-E254 CarbonylContact O-C 3.56Å; F238-E254 WeakPolarHBondContact O-CA 3.26Å; F238-A255 HydrophobicContact CB-CB 4.4Å; F238-A255 HydrophobicContact CD2-CB 4.29Å; F238-A255 PolarHBondContact N-O 3.3Å; F238-A255 PolarHBondContact O-N 2.97Å; F238-C257 HydrophobicContact CE2-CB 4.33Å |
| 239 | A | 89.4 | Confident | 86.1 | Confident | 4 Ų | 4 | 54 Ų | 54 | 3% | 0.033 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 118 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | V192 K193 I241 E254 | V192-A239 WeakPolarHBondContact CA-O 3.4Å; K193-A239 HydrophobicContact CB-CB 4.46Å; K193-A239 PolarHBondContact N-O 3.44Å; K193-A239 PolarHBondContact O-N 2.8Å; A239-I241 HydrophobicContact CB-CD1 4.18Å; A239-I241 HydrophobicContact CB-CG1 4.19Å; A239-E254 HydrophobicContact CB-CG 4.32Å |
| 240 | V | 92.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 121.2 | 173.5 | -174.5 | 0 | 0 | 0 | 0 | 107.9 | L174 V192 I252 G253 L277 | L174-V240 HydrophobicContact CD1-CG1 3.96Å; L174-V240 HydrophobicContact CD2-CG1 3.96Å; V192-V240 HydrophobicContact CG2-CG2 4.2Å; V240-I252 HydrophobicContact CG1-CB 4.46Å; V240-I252 HydrophobicContact CG1-CD1 4.21Å; V240-I252 PolarHBondContact O-N 3.22Å; V240-G253 PolarHBondContact N-O 2.89Å; V240-G253 PolarHBondContact O-N 2.85Å; V240-L277 HydrophobicContact CB-CD1 4.11Å; V240-L277 HydrophobicContact CB-CD2 4.49Å; V240-L277 HydrophobicContact CG2-CD1 3.68Å; V240-L277 HydrophobicContact CG2-CD2 3.64Å; V240-L277 HydrophobicContact CG2-CG 4.34Å |
| 241 | I | 90.1 | Very high | 85.6 | Confident | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.015 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 133.1 | -165.9 | -58 | 172.1 | 0 | 0 | 0 | 108.2 | P190 Y191 K193 A239 D249 | P190-I241 CarbonylContact C-O 3.53Å; P190-I241 VanDerWaalsContact CA-O 3.29Å; P190-I241 WeakPolarHBondContact CA-O 3.45Å; Y191-I241 HydrophobicContact CD1-CB 4.24Å; Y191-I241 HydrophobicContact CD1-CG2 4.47Å; Y191-I241 WeakPolarHBondContact CD1-O 3.27Å; Y191-I241 HydrophobicContact CE1-CB 3.76Å; Y191-I241 HydrophobicContact CE1-CG2 3.62Å; Y191-I241 HydrophobicContact CE2-CB 4.15Å; Y191-I241 HydrophobicContact CE2-CD1 3.96Å; Y191-I241 PolarHBondContact N-O 3.03Å; Y191-I241 PolarHBondContact O-N 3.41Å; K193-I241 HydrophobicContact CB-CD1 4.08Å; K193-I241 HydrophobicContact CD-CD1 4.45Å; A239-I241 HydrophobicContact CB-CD1 4.18Å; A239-I241 HydrophobicContact CB-CG1 4.19Å; I241-D249 HydrophobicContact CG2-CB 3.51Å |
| 242 | A | 89.6 | Confident | 85.6 | Confident | 13 Ų | 13 | 48.8 Ų | 48.8 | 11% | 0.107 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 116.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | L188 D249 K250 I252 | L188-A242 HydrophobicContact CD2-CB 4.09Å; A242-D249 WeakPolarHBondContact O-CA 3.23Å; A242-K250 PolarHBondContact N-O 3.05Å; A242-K250 PolarHBondContact O-N 2.92Å; A242-I252 HydrophobicContact CB-CD1 3.99Å; A242-I252 HydrophobicContact CB-CG1 4.09Å |
| 243 | F | 90.2 | Very high | 85.8 | Confident | 82 Ų | 82 | 44.4 Ų | 44.4 | 36% | 0.36 | 21% | 0.21 | S | C | . | . | trans | -67 | 135.9 | 172.5 | 175.5 | -102.9 | 0 | 0 | 0 | 110.2 | D189 Y191 V208 R245 D249 | D189-F243 HydrophobicContact CB-CB 4.15Å; D189-F243 WeakPolarHBondContact O-CB 3.31Å; D189-F243 PolarHBondContact O-N 3.25Å; Y191-F243 HydrophobicContact CD1-CB 4Å; Y191-F243 HydrophobicContact CE1-CB 4.01Å; V208-F243 HydrophobicContact CG1-CB 3.96Å; V208-F243 HydrophobicContact CG1-CD1 4.43Å; V208-F243 HydrophobicContact CG1-CG 4.38Å; V208-F243 HydrophobicContact CG2-CB 4.17Å; V208-F243 HydrophobicContact CG2-CG 4.31Å; F243-R245 HydrophobicContact CE1-CB 4.37Å; F243-D249 WeakPolarHBondContact CA-OD1 3.32Å; F243-D249 WeakPolarHBondContact CD2-OD1 3.37Å | ||
| 244 | D | 85.2 | Confident | 85.9 | Confident | 61 Ų | 61 | 38.3 Ų | 38.3 | 33% | 0.326 | 18% | 0.177 | S | C | . | . | trans | -127.5 | 136 | 169.5 | -164 | -57 | 0 | 0 | 0 | 109.6 | F246 L247 D249 | D244-F246 PolarHBondContact OD1-N 2.82Å; D244-L247 HydrophobicContact CB-CB 4.03Å; D244-L247 PolarHBondContact OD1-N 2.78Å; D244-D249 PolarHBondContact N-OD1 3.44Å | ||
| 245 | R | 86.1 | Confident | 86 | Confident | 147 Ų | 147 | 37.7 Ų | 37.7 | 56% | 0.555 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -75.7 | -29.5 | -177.8 | -174.8 | 178.8 | 171.9 | 177.4 | 1 | 112.2 | Q49 F243 | Q49-R245 PolarHBondContact O-NH2 2.96Å; F243-R245 HydrophobicContact CE1-CB 4.37Å |
| 246 | F | 79.7 | Confident | 86 | Confident | 87 Ų | 87 | 38.6 Ų | 38.6 | 38% | 0.382 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -116.9 | -25.6 | -169.8 | -52.2 | -48.4 | 0 | 0 | 0 | 112.2 | T46 D244 | T46-F246 HydrophobicContact CG2-CD1 4.38Å; T46-F246 HydrophobicContact CG2-CE1 4.22Å; T46-F246 WeakPolarHBondContact OG1-CD1 3.28Å; T46-F246 WeakPolarHBondContact OG1-CE1 3.31Å; T46-F246 WeakPolarHBondContact OG1-CZ 3.45Å; D244-F246 PolarHBondContact OD1-N 2.82Å |
| 247 | L | 79.3 | Confident | 85.9 | Confident | 77 Ų | 77 | 39 Ų | 39 | 40% | 0.403 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -104.9 | 170.8 | 175.9 | -56.3 | 179.5 | 0 | 0 | 0 | 111.3 | E130 D244 | E130-L247 VanDerWaalsContact CD-CD2 3.49Å; E130-L247 WeakPolarHBondContact OE1-CD2 3.43Å; D244-L247 HydrophobicContact CB-CB 4.03Å; D244-L247 PolarHBondContact OD1-N 2.78Å |
| 248 | R | 76 | Confident | 85.9 | Confident | 118 Ų | 118 | 41.2 Ų | 41.2 | 45% | 0.445 | 20% | 0.195 | S | C | . | . | trans | -66.5 | 137.1 | 167.1 | -67 | -171.7 | -173.5 | 172.4 | 8.3 | 109.4 | E131 K250 | E131-R248 IonicContact OE1-CZ 2.88Å; E131-R248 IonicContact OE1-NH1 3.73Å; E131-R248 PolarHBondContact OE1-NH1 3.02Å; E131-R248 IonicContact OE1-NH2 2.84Å; R248-K250 PolarHBondContact O-N 2.83Å | ||
| 249 | D | 85.5 | Confident | 85.8 | Confident | 50 Ų | 50 | 41.4 Ų | 41.4 | 27% | 0.267 | 20% | 0.196 | S | C | . | . | trans | -50.4 | 135 | 173.2 | -74.5 | -1.7 | 0 | 0 | 0 | 112.1 | Y191 I241 A242 F243 D244 | Y191-D249 WeakPolarHBondContact CE1-OD2 3.38Å; Y191-D249 PolarHBondContact OH-OD2 2.86Å; I241-D249 HydrophobicContact CG2-CB 3.51Å; A242-D249 WeakPolarHBondContact O-CA 3.23Å; F243-D249 WeakPolarHBondContact CA-OD1 3.32Å; F243-D249 WeakPolarHBondContact CD2-OD1 3.37Å; D244-D249 PolarHBondContact N-OD1 3.44Å | ||
| 250 | K | 81.2 | Confident | 85.5 | Confident | 69 Ų | 69 | 46.3 Ų | 46.3 | 30% | 0.3 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 125.1 | -174.3 | -176.5 | 171.7 | -179.3 | 172.8 | 0 | 111.6 | K177 A242 R248 I252 | K177-K250 PolarHBondContact O-NZ 2.9Å; A242-K250 PolarHBondContact N-O 3.05Å; A242-K250 PolarHBondContact O-N 2.92Å; R248-K250 PolarHBondContact O-N 2.83Å; K250-I252 PolarHBondContact O-N 2.98Å |
| 251 | I | 83.9 | Confident | 84.9 | Confident | 26 Ų | 26 | 50.4 Ų | 50.4 | 13% | 0.133 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 120 | 175.7 | -54 | 166.4 | 0 | 0 | 0 | 109.9 | K177 E254 T388 | K177-I251 PolarHBondContact NZ-O 3.27Å; I251-E254 HydrophobicContact CG2-CG 4.03Å; I251-T388 HydrophobicContact CD1-CG2 3.19Å; I251-T388 HydrophobicContact CG1-CG2 3.91Å |
| 252 | I | 86.9 | Confident | 84.7 | Confident | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | -54.4 | 172.4 | -60.6 | 167.4 | 0 | 0 | 0 | 108.3 | C148 L174 K177 L188 P190 V240 A242 K250 | C148-I252 HydrophobicContact CB-CG2 4.49Å; C148-I252 WeakPolarHBondContact CB-O 3.38Å; C148-I252 PolarHBondContact SG-O 2.56Å; C148-I252 VanDerWaalsContact SG-O 3.32Å; L174-I252 HydrophobicContact CB-CD1 4.46Å; L174-I252 HydrophobicContact CB-CG2 4.34Å; L174-I252 HydrophobicContact CD1-CD1 4.15Å; L174-I252 HydrophobicContact CD2-CG2 4.1Å; K177-I252 VanDerWaalsContact CE-O 3.24Å; K177-I252 WeakPolarHBondContact CE-O 3.03Å; K177-I252 PolarHBondContact NZ-O 2.79Å; L188-I252 HydrophobicContact CD1-CD1 3.98Å; P190-I252 HydrophobicContact CB-CD1 4.3Å; V240-I252 HydrophobicContact CG1-CB 4.46Å; V240-I252 HydrophobicContact CG1-CD1 4.21Å; V240-I252 PolarHBondContact O-N 3.22Å; A242-I252 HydrophobicContact CB-CD1 3.99Å; A242-I252 HydrophobicContact CB-CG1 4.09Å; K250-I252 PolarHBondContact O-N 2.98Å |
| 253 | G | 87.2 | Confident | 84.3 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.9 | 169.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V240 V278 | V240-G253 PolarHBondContact N-O 2.89Å; V240-G253 PolarHBondContact O-N 2.85Å; G253-V278 CarbonylContact C-O 3.44Å; G253-V278 WeakPolarHBondContact CA-O 3.48Å |
| 254 | E | 86.8 | Confident | 84 | Confident | 4 Ų | 4 | 51.7 Ų | 51.7 | 2% | 0.019 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 153.1 | -178.4 | -57.5 | -169.2 | 134.5 | 0 | 0 | 111.5 | H237 F238 A239 I251 V278 R280 K283 | H237-E254 IonicContact CE1-OE1 3.45Å; H237-E254 PolarHBondContact CE1-OE1 3.07Å; H237-E254 VanDerWaalsContact NE2-CD 3.31Å; H237-E254 IonicContact NE2-OE1 3.23Å; H237-E254 PolarHBondContact NE2-OE1 2.83Å; H237-E254 IonicContact NE2-OE2 3.19Å; F238-E254 CarbonylContact O-C 3.56Å; F238-E254 WeakPolarHBondContact O-CA 3.26Å; A239-E254 HydrophobicContact CB-CG 4.32Å; I251-E254 HydrophobicContact CG2-CG 4.03Å; E254-V278 PolarHBondContact N-O 3.35Å; E254-V278 PolarHBondContact O-N 2.87Å; E254-R280 IonicContact OE1-CZ 3.63Å; E254-R280 IonicContact OE1-NE 2.78Å; E254-R280 PolarHBondContact OE1-NE 3.5Å; E254-R280 IonicContact OE1-NH2 3.86Å; E254-R280 PolarHBondContact OE1-NH2 3.09Å; E254-R280 IonicContact OE2-CZ 2.82Å; E254-R280 IonicContact OE2-NE 3.02Å; E254-R280 PolarHBondContact OE2-NE 3.49Å; E254-R280 IonicContact OE2-NH2 3.29Å; E254-K283 IonicContact OE2-NZ 2.83Å; E254-K283 PolarHBondContact OE2-NZ 3.31Å; E254-K283 VanDerWaalsContact OE2-NZ 3.07Å |
| 255 | A | 86.7 | Confident | 83.8 | Confident | 5 Ų | 5 | 55.9 Ų | 55.9 | 4% | 0.041 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 151.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | H237 F238 I275 L277 | H237-A255 PolarHBondContact CD2-O 3.23Å; F238-A255 HydrophobicContact CB-CB 4.4Å; F238-A255 HydrophobicContact CD2-CB 4.29Å; F238-A255 PolarHBondContact N-O 3.3Å; F238-A255 PolarHBondContact O-N 2.97Å; A255-I275 HydrophobicContact CB-CB 4.36Å; A255-I275 HydrophobicContact CB-CD1 3.87Å; A255-I275 HydrophobicContact CB-CG1 3.9Å; A255-I275 HydrophobicContact CB-CG2 3.52Å; A255-L277 HydrophobicContact CB-CD2 3.9Å |
| 256 | L | 84.4 | Confident | 83.7 | Confident | 56 Ų | 56 | 53.5 Ų | 53.5 | 29% | 0.293 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 134 | -178.1 | -67.1 | 165.6 | 0 | 0 | 0 | 111 | L197 T235 H237 I275 L321 | L197-L256 HydrophobicContact CD1-CD2 4.38Å; T235-L256 HydrophobicContact CG2-CB 4.27Å; T235-L256 HydrophobicContact CG2-CD2 3.91Å; H237-L256 HydrophobicContact CB-CD2 3.76Å; H237-L256 VanDerWaalsContact CD2-CD2 3.5Å; H237-L256 WeakPolarHBondContact CD2-CD2 3.33Å; L256-I275 WeakPolarHBondContact O-CD1 3.19Å; L256-L321 HydrophobicContact CD1-CD1 4.14Å; L256-L321 HydrophobicContact CD1-CD2 3.29Å; L256-L321 HydrophobicContact CD1-CG 4.27Å; L256-L321 HydrophobicContact CD2-CD1 3.26Å; L256-L321 HydrophobicContact CD2-CD2 3.73Å; L256-L321 HydrophobicContact CD2-CG 4.06Å; L256-L321 HydrophobicContact CG-CD1 4.23Å; L256-L321 HydrophobicContact CG-CD2 4.13Å |
| 257 | C | 86.9 | Confident | 83.9 | Confident | 8 Ų | 8 | 51.9 Ų | 51.9 | 5% | 0.054 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 94.3 | 177.4 | -173.5 | 0 | 0 | 0 | 0 | 109.7 | Y153 L236 F238 L259 L262 | Y153-C257 WeakPolarHBondContact OH-CB 3.3Å; Y153-C257 PolarHBondContact OH-SG 3.46Å; L236-C257 HydrophobicContact CB-CB 4.4Å; L236-C257 PolarHBondContact N-O 2.87Å; L236-C257 PolarHBondContact O-N 3.38Å; F238-C257 HydrophobicContact CE2-CB 4.33Å; C257-L259 PolarHBondContact O-N 2.88Å; C257-L262 VanDerWaalsContact SG-CD1 3.59Å |
| 258 | P | 86.9 | Confident | 84.2 | Confident | 51 Ų | 51 | 52.9 Ų | 52.9 | 33% | 0.331 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 117.8 | 168.4 | -22.4 | 34.6 | 0 | 0 | 0 | 109.3 | T235 N260 S261 | T235-P258 HydrophobicContact CG2-CG 4.46Å; P258-N260 VanDerWaalsContact CB-OD1 3.25Å; P258-N260 WeakPolarHBondContact CB-OD1 3.08Å; P258-N260 PolarHBondContact O-N 2.98Å; P258-S261 PolarHBondContact O-N 3.44Å; P258-S261 PolarHBondContact O-OG 3.02Å |
| 259 | L | 88.1 | Confident | 84.9 | Confident | 4 Ų | 4 | 51.4 Ų | 51.4 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -72.9 | -18.8 | -172.8 | -59.5 | 180 | 0 | 0 | 0 | 112.3 | L155 L164 L231 T234 L236 C257 S261 L262 L264 | L155-L259 HydrophobicContact CD1-CD2 3.86Å; L164-L259 HydrophobicContact CD2-CD1 3.61Å; L231-L259 HydrophobicContact CD2-CD1 3.62Å; T234-L259 HydrophobicContact CG2-CD1 3.88Å; T234-L259 WeakPolarHBondContact O-CB 3.27Å; T234-L259 PolarHBondContact O-N 2.88Å; L236-L259 HydrophobicContact CB-CD2 4.05Å; L236-L259 HydrophobicContact CB-CG 4.47Å; C257-L259 PolarHBondContact O-N 2.88Å; L259-S261 PolarHBondContact O-N 2.99Å; L259-L262 HydrophobicContact CD2-CD1 4.22Å; L259-L262 PolarHBondContact O-N 3.17Å; L259-L264 HydrophobicContact CB-CD1 4.41Å |
| 260 | N | 83.8 | Confident | 85.3 | Confident | 106 Ų | 106 | 51.5 Ų | 51.5 | 57% | 0.567 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -64.1 | -23.8 | 172.4 | 64.3 | 1.9 | 0 | 0 | 0 | 114.3 | Q232 P258 L262 | Q232-N260 WeakPolarHBondContact O-CB 3.15Å; Q232-N260 PolarHBondContact O-ND2 3.01Å; P258-N260 VanDerWaalsContact CB-OD1 3.25Å; P258-N260 WeakPolarHBondContact CB-OD1 3.08Å; P258-N260 PolarHBondContact O-N 2.98Å; N260-L262 PolarHBondContact O-N 2.84Å |
| 261 | S | 79.1 | Confident | 85.8 | Confident | 86 Ų | 86 | 49.8 Ų | 49.8 | 60% | 0.601 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -81 | -9.3 | -179.3 | 69 | 0 | 0 | 0 | 0 | 112.7 | P258 L259 | P258-S261 PolarHBondContact O-N 3.44Å; P258-S261 PolarHBondContact O-OG 3.02Å; L259-S261 PolarHBondContact O-N 2.99Å |
| 262 | L | 85.1 | Confident | 86.3 | Confident | 34 Ų | 34 | 53.4 Ų | 53.4 | 18% | 0.178 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -104.4 | 146 | -175.7 | -57.3 | 179.8 | 0 | 0 | 0 | 111.4 | L155 C257 L259 N260 L264 I271 I273 | L155-L262 HydrophobicContact CD1-CD1 3.27Å; C257-L262 VanDerWaalsContact SG-CD1 3.59Å; L259-L262 HydrophobicContact CD2-CD1 4.22Å; L259-L262 PolarHBondContact O-N 3.17Å; N260-L262 PolarHBondContact O-N 2.84Å; L262-L264 VanDerWaalsContact C-N 3.25Å; L262-L264 HydrophobicContact CB-CD1 4.33Å; L262-L264 HydrophobicContact CB-CG 4.11Å; L262-L264 PolarHBondContact O-N 2.89Å; L262-I271 HydrophobicContact CB-CD1 4.21Å; L262-I273 HydrophobicContact CD1-CD1 3.57Å; L262-I273 HydrophobicContact CD2-CD1 3.71Å; L262-I273 HydrophobicContact CG-CD1 4.3Å |
| 263 | N | 82.1 | Confident | 86.7 | Confident | 87 Ų | 87 | 54.7 Ų | 54.7 | 47% | 0.465 | 30% | 0.299 | S | S | . | . | trans | -82.3 | 66.5 | 177.8 | -168.1 | 11.8 | 0 | 0 | 0 | 112.1 | K265 | N263-K265 PolarHBondContact O-N 3.42Š| ||
| 264 | L | 83.2 | Confident | 87.1 | Confident | 5 Ų | 5 | 59.2 Ų | 59.2 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 21.5 | 177.3 | -65.9 | 169.8 | 0 | 0 | 0 | 113.1 | L155 F159 L164 Y228 L259 L262 I271 | L155-L264 HydrophobicContact CB-CD2 4.31Å; F159-L264 WeakPolarHBondContact CE2-O 3.46Å; F159-L264 WeakPolarHBondContact CZ-O 3.29Å; L164-L264 HydrophobicContact CD1-CD1 4.41Å; Y228-L264 WeakPolarHBondContact CE2-O 3.37Å; L259-L264 HydrophobicContact CB-CD1 4.41Å; L262-L264 VanDerWaalsContact C-N 3.25Å; L262-L264 HydrophobicContact CB-CD1 4.33Å; L262-L264 HydrophobicContact CB-CG 4.11Å; L262-L264 PolarHBondContact O-N 2.89Å; L264-I271 HydrophobicContact CD2-CD1 3.62Å; L264-I271 HydrophobicContact CD2-CG1 4.37Å; L264-I271 HydrophobicContact CG-CD1 4.07Å |
| 265 | K | 81.1 | Confident | 87.3 | Confident | 149 Ų | 149 | 60.8 Ų | 60.8 | 65% | 0.648 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -27.1 | -178.9 | -72.7 | 178.3 | 179.8 | -179.3 | 0 | 113.5 | F159 Y228 N263 | F159-K265 VanDerWaalsContact CE2-O 3.29Å; F159-K265 WeakPolarHBondContact CE2-O 3.4Å; F159-K265 VanDerWaalsContact CZ-O 3.29Å; F159-K265 WeakPolarHBondContact CZ-O 3.43Å; Y228-K265 HydrophobicContact CE2-CG 4.35Å; Y228-K265 WeakPolarHBondContact OH-CG 3.13Å; N263-K265 PolarHBondContact O-N 3.42Å |
| 266 | E | 84.6 | Confident | 87.5 | Confident | 96 Ų | 96 | 65 Ų | 65 | 45% | 0.449 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -91.2 | 119.1 | 179.7 | -70.4 | 167.6 | -126.9 | 0 | 0 | 109 | N268 K269 | E266-N268 PolarHBondContact O-N 3.22Å; E266-K269 HydrophobicContact CB-CB 3.95Å; E266-K269 HydrophobicContact CB-CD 4.02Å; E266-K269 PolarHBondContact O-N 3.23Å; E266-K269 IonicContact OE1-NZ 2.84Å; E266-K269 PolarHBondContact OE1-NZ 3.01Å; E266-K269 WeakPolarHBondContact OE2-CD 3.23Å; E266-K269 IonicContact OE2-NZ 3.77Å; E266-K269 PolarHBondContact OE2-NZ 3.21Å |
| 267 | S | 83.8 | Confident | 87.7 | Confident | 54 Ų | 54 | 62.6 Ų | 62.6 | 38% | 0.378 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | 136.9 | 178 | -162.3 | 0 | 0 | 0 | 0 | 111 | F159 K269 | F159-S267 VanDerWaalsContact CD2-CB 3.47Å; F159-S267 PolarHBondContact N-OG 2.85Å; S267-K269 PolarHBondContact O-N 3.36Å; S267-K269 VanDerWaalsContact O-N 3.14Å |
| 268 | N | 86 | Confident | 87.4 | Confident | 98 Ų | 98 | 65.7 Ų | 65.7 | 52% | 0.524 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 15.1 | 177.1 | -61.2 | -48.3 | 0 | 0 | 0 | 115.8 | Y157 E266 | Y157-N268 PolarHBondContact O-N 3.34Å; E266-N268 PolarHBondContact O-N 3.22Å |
| 269 | K | 90.6 | Very high | 86.8 | Confident | 86 Ų | 86 | 64.6 Ų | 64.6 | 37% | 0.374 | 35% | 0.351 | S | S | . | . | trans | -78.2 | 125.9 | 170.8 | -171.8 | -179.1 | -162.6 | 150.3 | 0 | 110.6 | E266 S267 | E266-K269 HydrophobicContact CB-CB 3.95Å; E266-K269 HydrophobicContact CB-CD 4.02Å; E266-K269 PolarHBondContact O-N 3.23Å; E266-K269 IonicContact OE1-NZ 2.84Å; E266-K269 PolarHBondContact OE1-NZ 3.01Å; E266-K269 WeakPolarHBondContact OE2-CD 3.23Å; E266-K269 IonicContact OE2-NZ 3.77Å; E266-K269 PolarHBondContact OE2-NZ 3.21Å; S267-K269 PolarHBondContact O-N 3.36Å; S267-K269 VanDerWaalsContact O-N 3.14Å | ||
| 270 | A | 92.3 | Very high | 85.6 | Confident | 53 Ų | 53 | 65.3 Ų | 65.3 | 44% | 0.438 | 35% | 0.353 | S | S | . | . | trans | -80.2 | 130.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | R154 L155 I156 | R154-A270 HydrophobicContact CG-CB 3.96Å; L155-A270 WeakPolarHBondContact O-CA 3.39Å; I156-A270 HydrophobicContact CD1-CB 4.27Å; I156-A270 HydrophobicContact CG1-CB 3.93Å | ||
| 271 | I | 93.3 | Very high | 84.3 | Confident | 33 Ų | 33 | 62.7 Ų | 62.7 | 17% | 0.169 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 113.5 | 172.9 | -53.8 | 179.9 | 0 | 0 | 0 | 108.3 | R154 L155 L262 L264 I273 | R154-I271 CarbonylContact C-O 3.56Å; R154-I271 VanDerWaalsContact CA-O 3.26Å; R154-I271 WeakPolarHBondContact CA-O 2.99Å; L155-I271 PolarHBondContact N-O 2.9Å; L155-I271 PolarHBondContact O-N 2.81Å; L262-I271 HydrophobicContact CB-CD1 4.21Å; L264-I271 HydrophobicContact CD2-CD1 3.62Å; L264-I271 HydrophobicContact CD2-CG1 4.37Å; L264-I271 HydrophobicContact CG-CD1 4.07Å; I271-I273 HydrophobicContact CG2-CD1 4.16Å; I271-I273 HydrophobicContact CG2-CG1 3.94Å |
| 272 | D | 94.3 | Very high | 83.1 | Confident | 101 Ų | 101 | 60.8 Ų | 60.8 | 54% | 0.54 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 127.8 | 176.1 | -73 | -1.3 | 0 | 0 | 0 | 110 | R154 | R154-D272 VanDerWaalsContact CB-OD1 3.26Å; R154-D272 WeakPolarHBondContact CB-OD1 3.46Å; R154-D272 VanDerWaalsContact CG-OD1 3.23Å; R154-D272 WeakPolarHBondContact CG-OD1 3.22Å; R154-D272 IonicContact CZ-OD1 3.81Å; R154-D272 IonicContact NE-OD1 3.77Å; R154-D272 PolarHBondContact NE-OD1 2.87Å; R154-D272 IonicContact NE-OD2 2.86Å; R154-D272 IonicContact NH2-OD1 2.7Å; R154-D272 PolarHBondContact NH2-OD1 2.81Å; R154-D272 IonicContact NH2-OD2 2.78Å; R154-D272 PolarHBondContact NH2-OD2 3.38Å |
| 273 | I | 94.7 | Very high | 81.6 | Confident | 33 Ų | 33 | 61.6 Ų | 61.6 | 17% | 0.169 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 137.4 | -175.4 | -56.1 | 173.3 | 0 | 0 | 0 | 109.3 | R152 Y153 L155 L262 I271 | R152-I273 WeakPolarHBondContact CA-O 3.45Å; Y153-I273 HydrophobicContact CD1-CB 4.42Å; Y153-I273 HydrophobicContact CE1-CB 3.87Å; Y153-I273 HydrophobicContact CE1-CG2 3.75Å; Y153-I273 HydrophobicContact CE2-CB 4.04Å; Y153-I273 HydrophobicContact CE2-CD1 3.77Å; Y153-I273 HydrophobicContact CE2-CG1 4.38Å; Y153-I273 HydrophobicContact CE2-CG2 4.48Å; Y153-I273 PolarHBondContact N-O 2.92Å; Y153-I273 PolarHBondContact O-N 2.85Å; Y153-I273 WeakPolarHBondContact OH-CG2 3.12Å; L155-I273 HydrophobicContact CD1-CD1 3.89Å; L155-I273 HydrophobicContact CG-CD1 4.49Å; L262-I273 HydrophobicContact CD1-CD1 3.57Å; L262-I273 HydrophobicContact CD2-CD1 3.71Å; L262-I273 HydrophobicContact CG-CD1 4.3Å; I271-I273 HydrophobicContact CG2-CD1 4.16Å; I271-I273 HydrophobicContact CG2-CG1 3.94Å |
| 274 | N | 95.3 | Very high | 80.3 | Confident | 94 Ų | 94 | 58 Ų | 58 | 50% | 0.503 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 112.8 | 171.7 | -170.3 | 17.7 | 0 | 0 | 0 | 108.3 | L151 R152 | L151-N274 WeakPolarHBondContact O-CA 3.25Å; R152-N274 HydrophobicContact CG-CB 4.03Å; R152-N274 VanDerWaalsContact CG-OD1 3.27Å; R152-N274 WeakPolarHBondContact CG-OD1 3.42Å |
| 275 | I | 91.8 | Very high | 78.9 | Confident | 37 Ų | 37 | 61.2 Ų | 61.2 | 19% | 0.19 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 137.9 | -173.3 | -169.3 | 158.1 | 0 | 0 | 0 | 111.2 | K150 L151 Y153 A255 L256 | K150-I275 CarbonylContact C-O 3.56Å; K150-I275 WeakPolarHBondContact CA-O 3.48Å; L151-I275 HydrophobicContact CB-CG2 4.02Å; L151-I275 PolarHBondContact N-O 2.78Å; L151-I275 PolarHBondContact O-N 2.98Å; Y153-I275 HydrophobicContact CD1-CG2 4.43Å; Y153-I275 HydrophobicContact CE1-CB 4.39Å; Y153-I275 HydrophobicContact CE1-CG2 3.74Å; A255-I275 HydrophobicContact CB-CB 4.36Å; A255-I275 HydrophobicContact CB-CD1 3.87Å; A255-I275 HydrophobicContact CB-CG1 3.9Å; A255-I275 HydrophobicContact CB-CG2 3.52Å; L256-I275 WeakPolarHBondContact O-CD1 3.19Å |
| 276 | D | 90.8 | Very high | 77.6 | Confident | 94 Ų | 94 | 60.7 Ų | 60.7 | 50% | 0.503 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 136.4 | 173.8 | -65.3 | -39.2 | 0 | 0 | 0 | 110.6 | K150 | K150-D276 WeakPolarHBondContact CD-OD1 3.27Å; K150-D276 WeakPolarHBondContact CE-OD1 3.43Å; K150-D276 WeakPolarHBondContact CG-OD1 3.26Å |
| 277 | L | 88.6 | Confident | 76.6 | Confident | 5 Ų | 5 | 58.2 Ų | 58.2 | 3% | 0.026 | 32% | 0.319 | C | S | . | . | trans | -86.1 | 133.8 | 177.6 | -64.5 | 167.5 | 0 | 0 | 0 | 110.3 | C148 G149 L151 L174 V240 A255 | C148-L277 HydrophobicContact CB-CB 3.81Å; C148-L277 WeakPolarHBondContact CB-O 3.41Å; C148-L277 PolarHBondContact N-O 2.9Å; G149-L277 WeakPolarHBondContact O-CB 3.28Å; G149-L277 PolarHBondContact O-N 2.9Å; L151-L277 HydrophobicContact CB-CD2 4.13Å; L151-L277 HydrophobicContact CB-CG 4.43Å; L174-L277 HydrophobicContact CD2-CD1 3.59Å; V240-L277 HydrophobicContact CB-CD1 4.11Å; V240-L277 HydrophobicContact CB-CD2 4.49Å; V240-L277 HydrophobicContact CG2-CD1 3.68Å; V240-L277 HydrophobicContact CG2-CD2 3.64Å; V240-L277 HydrophobicContact CG2-CG 4.34Å; A255-L277 HydrophobicContact CB-CD2 3.9Å | ||
| 278 | V | 80.3 | Confident | 75.7 | Confident | 74 Ų | 74 | 65.5 Ų | 65.5 | 45% | 0.448 | 34% | 0.344 | S | S | . | . | B | Isolated β-bridge | trans | -109.1 | 139.5 | 179.7 | -176.4 | 0 | 0 | 0 | 0 | 110.2 | G253 E254 R280 | G253-V278 CarbonylContact C-O 3.44Å; G253-V278 WeakPolarHBondContact CA-O 3.48Å; E254-V278 PolarHBondContact N-O 3.35Å; E254-V278 PolarHBondContact O-N 2.87Å; V278-R280 PolarHBondContact O-N 3.4Å |
| 279 | N | 73.2 | Confident | 75 | Confident | 27 Ų | 27 | 67.2 Ų | 67.2 | 14% | 0.144 | 35% | 0.352 | C | S | . | . | trans | -70.9 | 124.5 | 171.9 | -175 | -1.5 | 0 | 0 | 0 | 110.5 | C148 K177 S281 L282 | C148-N279 VanDerWaalsContact SG-CB 3.59Å; C148-N279 PolarHBondContact SG-N 2.81Å; K177-N279 VanDerWaalsContact CE-CG 3.45Å; K177-N279 WeakPolarHBondContact CE-ND2 3.15Å; K177-N279 PolarHBondContact NZ-ND2 2.79Å; K177-N279 VanDerWaalsContact NZ-ND2 3.19Å; K177-N279 PolarHBondContact NZ-OD1 3.25Å; N279-S281 VanDerWaalsContact C-N 3.3Å; N279-S281 VanDerWaalsContact CG-OG 3.25Å; N279-S281 PolarHBondContact ND2-OG 2.88Å; N279-S281 PolarHBondContact O-N 3.01Å; N279-S281 PolarHBondContact OD1-N 3.32Å; N279-S281 PolarHBondContact OD1-OG 2.95Å; N279-L282 HydrophobicContact CB-CD1 3.84Å; N279-L282 HydrophobicContact CB-CG 3.89Å; N279-L282 PolarHBondContact O-N 2.9Å | ||
| 280 | R | 64.6 | Low | 74.8 | Confident | 19 Ų | 19 | 63.7 Ų | 63.7 | 7% | 0.072 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -36.1 | 177.5 | -163.7 | -172.7 | -94.4 | -158.9 | 0.7 | 112.8 | E254 V278 L282 K283 D385 T388 E391 | E254-R280 IonicContact OE1-CZ 3.63Å; E254-R280 IonicContact OE1-NE 2.78Å; E254-R280 PolarHBondContact OE1-NE 3.5Å; E254-R280 IonicContact OE1-NH2 3.86Å; E254-R280 PolarHBondContact OE1-NH2 3.09Å; E254-R280 IonicContact OE2-CZ 2.82Å; E254-R280 IonicContact OE2-NE 3.02Å; E254-R280 PolarHBondContact OE2-NE 3.49Å; E254-R280 IonicContact OE2-NH2 3.29Å; V278-R280 PolarHBondContact O-N 3.4Å; R280-L282 PolarHBondContact O-N 3.15Å; R280-K283 HydrophobicContact CG-CD 4.2Å; R280-K283 VanDerWaalsContact O-CB 3.22Å; R280-K283 WeakPolarHBondContact O-CB 3.22Å; R280-K283 WeakPolarHBondContact O-CG 3.36Å; R280-K283 PolarHBondContact O-N 2.91Å; R280-D385 IonicContact NH1-OD1 3.77Å; R280-D385 IonicContact NH1-OD2 3.84Å; R280-D385 PolarHBondContact NH1-OD2 2.92Å; R280-T388 PolarHBondContact NH1-OG1 2.85Å; R280-T388 VanDerWaalsContact NH1-OG1 3.09Å; R280-E391 WeakPolarHBondContact CD-OE1 3.13Å; R280-E391 VanDerWaalsContact CD-OE2 3.31Å; R280-E391 WeakPolarHBondContact CD-OE2 3.22Å; R280-E391 VanDerWaalsContact CG-OE1 3.26Å; R280-E391 WeakPolarHBondContact CG-OE1 3.46Å; R280-E391 IonicContact NH1-OE2 2.82Å |
| 281 | S | 56.2 | Low | 74.8 | Confident | 52 Ų | 52 | 61.4 Ų | 61.4 | 36% | 0.364 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.7 | -29.3 | -178.6 | 73 | 0 | 0 | 0 | 0 | 113.5 | N279 K283 F284 | N279-S281 VanDerWaalsContact C-N 3.3Å; N279-S281 VanDerWaalsContact CG-OG 3.25Å; N279-S281 PolarHBondContact ND2-OG 2.88Å; N279-S281 PolarHBondContact O-N 3.01Å; N279-S281 PolarHBondContact OD1-N 3.32Å; N279-S281 PolarHBondContact OD1-OG 2.95Å; S281-K283 PolarHBondContact O-N 3.26Å; S281-F284 PolarHBondContact O-N 2.72Å |
| 282 | L | 52.3 | Low | 74.9 | Confident | 45 Ų | 45 | 61.4 Ų | 61.4 | 24% | 0.236 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.7 | -19.7 | 177.3 | -61.3 | 176.9 | 0 | 0 | 0 | 112.1 | N279 R280 F284 Q285 | N279-L282 HydrophobicContact CB-CD1 3.84Å; N279-L282 HydrophobicContact CB-CG 3.89Å; N279-L282 PolarHBondContact O-N 2.9Å; R280-L282 PolarHBondContact O-N 3.15Å; L282-F284 PolarHBondContact O-N 2.83Å; L282-Q285 PolarHBondContact O-N 2.8Å |
| 283 | K | 54 | Low | 75.1 | Confident | 52 Ų | 52 | 56.6 Ų | 56.6 | 23% | 0.226 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.4 | -36.6 | 179.1 | -61.6 | 178 | -179.8 | 170 | 0 | 111.5 | E254 R280 S281 F319 | E254-K283 IonicContact OE2-NZ 2.83Å; E254-K283 PolarHBondContact OE2-NZ 3.31Å; E254-K283 VanDerWaalsContact OE2-NZ 3.07Å; R280-K283 HydrophobicContact CG-CD 4.2Å; R280-K283 VanDerWaalsContact O-CB 3.22Å; R280-K283 WeakPolarHBondContact O-CB 3.22Å; R280-K283 WeakPolarHBondContact O-CG 3.36Å; R280-K283 PolarHBondContact O-N 2.91Å; S281-K283 PolarHBondContact O-N 3.26Å; K283-F319 HydrophobicContact CB-CD1 3.82Å; K283-F319 HydrophobicContact CB-CE1 4.18Å; K283-F319 HydrophobicContact CB-CG 4.29Å; K283-F319 WeakPolarHBondContact O-CE1 3.29Å |
| 284 | F | 55.4 | Low | 75.3 | Confident | 10 Ų | 10 | 56.2 Ų | 56.2 | 4% | 0.044 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -77.6 | -30.3 | 178.2 | -67.5 | -95.4 | 0 | 0 | 0 | 113.3 | S281 L282 N286 V287 R290 F319 E391 M393 | S281-F284 PolarHBondContact O-N 2.72Å; L282-F284 PolarHBondContact O-N 2.83Å; F284-N286 VanDerWaalsContact C-N 3.28Å; F284-N286 PolarHBondContact O-N 3.41Å; F284-V287 PolarHBondContact O-N 3.49Å; F284-R290 VanDerWaalsContact C-NH2 3.27Å; F284-R290 PolarHBondContact O-NE 2.8Å; F284-R290 PolarHBondContact O-NH2 2.93Å; F284-F319 HydrophobicContact CB-CE2 4.47Å; F284-F319 AromaticContact CD1-CD2 3.69Å; F284-F319 HydrophobicContact CD1-CD2 3.69Å; F284-F319 AromaticContact CD1-CE2 3.14Å; F284-F319 HydrophobicContact CD1-CE2 3.14Å; F284-F319 AromaticContact CD1-CZ 3.95Å; F284-F319 HydrophobicContact CD1-CZ 3.95Å; F284-F319 HydrophobicContact CD2-CD2 4.23Å; F284-F319 HydrophobicContact CD2-CE2 4.23Å; F284-F319 AromaticContact CE1-CD2 3.25Å; F284-F319 HydrophobicContact CE1-CD2 3.25Å; F284-F319 AromaticContact CE1-CE2 3.17Å; F284-F319 HydrophobicContact CE1-CE2 3.17Å; F284-F319 HydrophobicContact CE1-CG 4.47Å; F284-F319 HydrophobicContact CE1-CZ 4.34Å; F284-F319 AromaticContact CE2-CD2 3.83Å; F284-F319 HydrophobicContact CE2-CD2 3.83Å; F284-F319 HydrophobicContact CE2-CE2 4.23Å; F284-F319 HydrophobicContact CE2-CG 4.42Å; F284-F319 HydrophobicContact CG-CD2 4.15Å; F284-F319 AromaticContact CG-CE2 3.71Å; F284-F319 HydrophobicContact CG-CE2 3.71Å; F284-F319 HydrophobicContact CG-CZ 4.19Å; F284-F319 AromaticContact CZ-CD2 3.33Å; F284-F319 HydrophobicContact CZ-CD2 3.33Å; F284-F319 AromaticContact CZ-CE2 3.75Å; F284-F319 HydrophobicContact CZ-CE2 3.75Å; F284-F319 HydrophobicContact CZ-CG 4.25Å; F284-E391 HydrophobicContact CE2-CB 3.91Å; F284-E391 HydrophobicContact CE2-CG 4.3Å; F284-E391 WeakPolarHBondContact CE2-OE2 3.44Å; F284-E391 HydrophobicContact CZ-CB 3.78Å; F284-E391 WeakPolarHBondContact CZ-OE2 3.41Å; F284-M393 HydrophobicContact CE1-CB 4.5Å; F284-M393 HydrophobicContact CE1-CG 4.32Å |
| 285 | Q | 53.6 | Low | 75.4 | Confident | 74 Ų | 74 | 51.7 Ų | 51.7 | 35% | 0.346 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.9 | -35 | -175.9 | -71.2 | 174.5 | -2.1 | 0 | 0 | 112.3 | D142 L282 | D142-Q285 PolarHBondContact OD1-NE2 3.09Å; D142-Q285 PolarHBondContact OD1-OE1 2.92Å; D142-Q285 PolarHBondContact OD2-NE2 2.93Å; L282-Q285 PolarHBondContact O-N 2.8Å |
| 286 | N | 54.5 | Low | 75.8 | Confident | 138 Ų | 138 | 50.1 Ų | 50.1 | 74% | 0.738 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -4.2 | -178.6 | -69.4 | -30.6 | 0 | 0 | 0 | 114 | F284 K288 | F284-N286 VanDerWaalsContact C-N 3.28Å; F284-N286 PolarHBondContact O-N 3.41Å; N286-K288 PolarHBondContact O-N 2.77Å |
| 287 | V | 63.7 | Low | 76.1 | Confident | 44 Ų | 44 | 45.6 Ų | 45.6 | 27% | 0.267 | 23% | 0.234 | S | C | . | . | trans | -83.3 | 105.5 | 178.4 | 172.1 | 0 | 0 | 0 | 0 | 110.5 | F284 L289 R290 P317 F319 | F284-V287 PolarHBondContact O-N 3.49Å; V287-L289 VanDerWaalsContact C-N 3.25Å; V287-L289 WeakPolarHBondContact CG1-O 3.39Å; V287-L289 PolarHBondContact O-N 2.94Å; V287-R290 HydrophobicContact CG1-CG 4.26Å; V287-P317 HydrophobicContact CG1-CB 4.16Å; V287-F319 HydrophobicContact CB-CE1 4.36Å; V287-F319 HydrophobicContact CB-CZ 3.82Å; V287-F319 HydrophobicContact CG1-CZ 4.31Å; V287-F319 HydrophobicContact CG2-CE1 3.27Å; V287-F319 HydrophobicContact CG2-CZ 3.2Å | ||
| 288 | K | 63.3 | Low | 76.5 | Confident | 206 Ų | 206 | 46 Ų | 46 | 90% | 0.896 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -62.1 | -30 | 179.6 | -65.7 | -176.1 | 178.4 | -179.2 | 0 | 113.3 | N286 | N286-K288 PolarHBondContact O-N 2.77Š|
| 289 | L | 73.1 | Confident | 77.2 | Confident | 134 Ų | 134 | 43.3 Ų | 43.3 | 70% | 0.702 | 22% | 0.219 | S | C | * | . | trans | -124.7 | 101.8 | -175.8 | -75.1 | 155.1 | 0 | 0 | 0 | 109 | V287 G291 | V287-L289 VanDerWaalsContact C-N 3.25Å; V287-L289 WeakPolarHBondContact CG1-O 3.39Å; V287-L289 PolarHBondContact O-N 2.94Å; L289-G291 VanDerWaalsContact C-N 3.31Å | ||
| 290 | R | 84.8 | Confident | 78.1 | Confident | 12 Ų | 12 | 46.5 Ų | 46.5 | 5% | 0.045 | 23% | 0.229 | C | C | . | . | trans | -92.3 | 12.7 | -178.4 | -72.2 | 176.2 | 164.9 | -144.6 | 20 | 113.5 | F284 V287 P317 M393 L428 P430 | F284-R290 VanDerWaalsContact C-NH2 3.27Å; F284-R290 PolarHBondContact O-NE 2.8Å; F284-R290 PolarHBondContact O-NH2 2.93Å; V287-R290 HydrophobicContact CG1-CG 4.26Å; R290-P317 VanDerWaalsContact O-CD 3.22Å; R290-P317 WeakPolarHBondContact O-CD 3.44Å; R290-M393 VanDerWaalsContact CD-O 3.23Å; R290-M393 WeakPolarHBondContact CD-O 3.29Å; R290-M393 PolarHBondContact NH1-O 2.83Å; R290-L428 HydrophobicContact CB-CB 3.9Å; R290-L428 WeakPolarHBondContact O-CD1 3.43Å; R290-P430 VanDerWaalsContact CZ-CA 3.49Å; R290-P430 PolarHBondContact NH1-OXT 2.86Å | ||
| 291 | G | 92.1 | Very high | 79.1 | Confident | 5 Ų | 5 | 51.1 Ų | 51.1 | 5% | 0.052 | 25% | 0.251 | C | S | . | . | trans | 79.5 | -169.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L289 Q314 N315 L428 | L289-G291 VanDerWaalsContact C-N 3.31Å; G291-Q314 VanDerWaalsContact CA-O 3.3Å; G291-Q314 WeakPolarHBondContact CA-O 3.32Å; G291-N315 WeakPolarHBondContact CA-O 3.28Å; G291-N315 PolarHBondContact N-O 3.46Å; G291-L428 WeakPolarHBondContact O-CB 3.29Å; G291-L428 PolarHBondContact O-N 3.33Å | ||
| 292 | E | 96.5 | Very high | 80.6 | Confident | 34 Ų | 34 | 52.7 Ų | 52.7 | 16% | 0.159 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 152.9 | -177.6 | 59.3 | -170.7 | 154.6 | 0 | 0 | 111.8 | A313 Q314 W425 H426 Q427 | E292-A313 CarbonylContact O-C 3.52Å; E292-A313 WeakPolarHBondContact O-CA 3.49Å; E292-A313 WeakPolarHBondContact O-CB 3.39Å; E292-Q314 HydrophobicContact CG-CG 3.58Å; E292-Q314 PolarHBondContact N-O 2.95Å; E292-Q314 PolarHBondContact O-N 2.79Å; E292-Q314 PolarHBondContact OE1-NE2 2.93Å; E292-W425 HydrophobicContact CB-CE3 4.12Å; E292-W425 HydrophobicContact CG-CD2 4.45Å; E292-W425 HydrophobicContact CG-CE3 3.62Å; E292-W425 HydrophobicContact CG-CZ3 3.85Å; E292-H426 CarbonylContact C-O 3.52Å; E292-H426 WeakPolarHBondContact CA-O 3.4Å; E292-H426 WeakPolarHBondContact CB-O 3.29Å; E292-Q427 PolarHBondContact OE2-NE2 2.95Å |
| 293 | V | 98.2 | Very high | 82.4 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 133.3 | -179.4 | 62.2 | 0 | 0 | 0 | 0 | 110.3 | V295 V310 A313 V381 V396 H426 L428 | V293-V295 HydrophobicContact CG1-CG2 3.99Å; V293-V295 HydrophobicContact CG2-CG2 3.95Å; V293-V310 HydrophobicContact CG2-CG1 4.32Å; V293-A313 HydrophobicContact CB-CB 4.3Å; V293-A313 HydrophobicContact CG2-CB 4.35Å; V293-V381 HydrophobicContact CB-CG2 4.38Å; V293-V396 HydrophobicContact CG1-CG2 3.65Å; V293-H426 HydrophobicContact CG1-CB 4.35Å; V293-H426 PolarHBondContact N-O 2.71Å; V293-H426 PolarHBondContact O-N 2.96Å; V293-L428 HydrophobicContact CB-CD2 4.42Å; V293-L428 HydrophobicContact CG1-CD2 3.87Å |
| 294 | L | 98.7 | Very high | 84.1 | Confident | 24 Ų | 24 | 53.4 Ų | 53.4 | 13% | 0.126 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 116.4 | 174 | -178.3 | 61.4 | 0 | 0 | 0 | 109 | L311 K312 A423 W425 | L294-L311 HydrophobicContact CB-CB 4.29Å; L294-L311 HydrophobicContact CD2-CB 4Å; L294-L311 HydrophobicContact CD2-CD1 3.85Å; L294-L311 HydrophobicContact CG-CB 4.03Å; L294-L311 HydrophobicContact CG-CD1 3.91Å; L294-L311 HydrophobicContact CG-CG 4.41Å; L294-L311 PolarHBondContact O-N 2.74Å; L294-K312 HydrophobicContact CB-CG 4Å; L294-K312 HydrophobicContact CD2-CG 4.07Å; L294-K312 PolarHBondContact N-O 3.39Å; L294-A423 HydrophobicContact CD1-CB 4.32Å; L294-W425 HydrophobicContact CB-CD2 3.81Å; L294-W425 HydrophobicContact CB-CE3 3.67Å; L294-W425 HydrophobicContact CB-CH2 3.95Å; L294-W425 HydrophobicContact CB-CZ2 4.08Å; L294-W425 HydrophobicContact CB-CZ3 3.72Å; L294-W425 HydrophobicContact CD1-CD2 4.08Å; L294-W425 HydrophobicContact CD1-CG 4.05Å; L294-W425 HydrophobicContact CD2-CZ2 4.27Å; L294-W425 HydrophobicContact CG-CD2 4.42Å |
| 295 | V | 98.6 | Very high | 86 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 139.1 | -175.6 | 179.8 | 0 | 0 | 0 | 0 | 108.7 | V293 L297 V308 A309 I379 I398 H410 A423 H424 | V293-V295 HydrophobicContact CG1-CG2 3.99Å; V293-V295 HydrophobicContact CG2-CG2 3.95Å; V295-L297 HydrophobicContact CG1-CD2 4.43Å; V295-V308 HydrophobicContact CG1-CG1 4.1Å; V295-A309 CarbonylContact C-O 3.49Å; V295-A309 WeakPolarHBondContact CA-O 3.28Å; V295-I379 HydrophobicContact CB-CD1 4.12Å; V295-I379 HydrophobicContact CG1-CD1 3.5Å; V295-I379 VanDerWaalsContact CG1-CD1 3.5Å; V295-I379 HydrophobicContact CG2-CD1 3.52Å; V295-I398 HydrophobicContact CB-CD1 4.37Å; V295-I398 HydrophobicContact CG1-CD1 4.01Å; V295-H410 PolarHBondContact O-CE1 2.92Å; V295-H410 VanDerWaalsContact O-CE1 3.23Å; V295-A423 VanDerWaalsContact O-CA 3.31Å; V295-A423 WeakPolarHBondContact O-CA 3.21Å; V295-H424 PolarHBondContact N-O 3.14Å; V295-H424 VanDerWaalsContact N-O 3.07Å; V295-H424 PolarHBondContact O-N 3.28Å |
| 296 | S | 98.3 | Very high | 88 | Confident | 3 Ų | 3 | 52.5 Ų | 52.5 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 139.7 | 170.7 | -176 | 0 | 0 | 0 | 0 | 112.8 | V308 A309 I422 | S296-V308 CarbonylContact O-C 3.33Å; S296-V308 WeakPolarHBondContact O-CA 3.3Å; S296-A309 PolarHBondContact N-O 3.37Å; S296-A309 PolarHBondContact O-N 3.31Å; S296-I422 CarbonylContact C-O 3.34Å; S296-I422 WeakPolarHBondContact CA-O 3.38Å; S296-I422 WeakPolarHBondContact CB-O 3.04Å; S296-I422 PolarHBondContact OG-O 3.17Å |
| 297 | L | 98.1 | Very high | 90 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 142.4 | 174.1 | -60.1 | -175 | 0 | 0 | 0 | 111 | V295 I306 C307 V308 I398 W411 A414 I422 | V295-L297 HydrophobicContact CG1-CD2 4.43Å; L297-I306 HydrophobicContact CD2-CD1 4.12Å; L297-C307 WeakPolarHBondContact CA-O 3.2Å; L297-V308 HydrophobicContact CD2-CB 4.25Å; L297-V308 HydrophobicContact CD2-CG1 3.99Å; L297-V308 HydrophobicContact CD2-CG2 3.8Å; L297-I398 HydrophobicContact CD1-CG2 3.6Å; L297-W411 HydrophobicContact CD1-CE3 3.94Å; L297-A414 HydrophobicContact CB-CB 3.69Å; L297-A414 HydrophobicContact CD1-CB 4.43Å; L297-I422 PolarHBondContact N-O 3.39Å; L297-I422 PolarHBondContact O-N 3.27Å |
| 298 | C | 97.2 | Very high | 91.7 | Very high | 12 Ų | 12 | 45 Ų | 45 | 8% | 0.081 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 118.3 | 171.9 | 179.3 | 0 | 0 | 0 | 0 | 110.5 | C307 W419 Q421 | C298-C307 HydrophobicContact CB-CB 4.21Å; C298-C307 PolarHBondContact N-O 3.01Å; C298-C307 PolarHBondContact O-N 3.19Å; C298-W419 VanDerWaalsContact SG-C 3.52Å; C298-W419 PolarHBondContact SG-O 3.15Å; C298-Q421 HydrophobicContact CB-CG 3.93Å |
| 299 | F | 94.8 | Very high | 93.4 | Very high | 18 Ų | 18 | 35.5 Ų | 35.5 | 8% | 0.079 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 129.4 | 175.5 | -74 | -92.2 | 0 | 0 | 0 | 111.1 | I306 L364 W411 A414 K415 W419 | F299-I306 HydrophobicContact CD1-CB 4.46Å; F299-I306 HydrophobicContact CD1-CD1 4.5Å; F299-I306 HydrophobicContact CD1-CG1 4.46Å; F299-I306 HydrophobicContact CE1-CB 4.4Å; F299-I306 HydrophobicContact CE1-CD1 3.87Å; F299-I306 HydrophobicContact CE1-CG1 4.3Å; F299-I306 HydrophobicContact CE2-CD1 4.03Å; F299-I306 HydrophobicContact CZ-CD1 3.61Å; F299-I306 HydrophobicContact CZ-CG1 4.37Å; F299-L364 HydrophobicContact CD1-CD1 3.94Å; F299-L364 HydrophobicContact CE1-CD1 3.9Å; F299-W411 HydrophobicContact CE1-CH2 4.05Å; F299-W411 AromaticContact CE1-CZ2 3.92Å; F299-W411 HydrophobicContact CE1-CZ2 3.92Å; F299-W411 HydrophobicContact CE2-CD2 4.43Å; F299-W411 AromaticContact CZ-CD2 3.86Å; F299-W411 HydrophobicContact CZ-CD2 3.86Å; F299-W411 AromaticContact CZ-CE2 3.6Å; F299-W411 AromaticContact CZ-CE3 3.97Å; F299-W411 HydrophobicContact CZ-CE3 3.97Å; F299-W411 AromaticContact CZ-CH2 3.66Å; F299-W411 HydrophobicContact CZ-CH2 3.66Å; F299-W411 AromaticContact CZ-CZ2 3.53Å; F299-W411 HydrophobicContact CZ-CZ2 3.53Å; F299-W411 AromaticContact CZ-CZ3 3.87Å; F299-W411 HydrophobicContact CZ-CZ3 3.87Å; F299-A414 VanDerWaalsContact CD2-C 3.48Å; F299-A414 HydrophobicContact CD2-CB 3.9Å; F299-A414 WeakPolarHBondContact CD2-O 3.2Å; F299-A414 HydrophobicContact CE2-CB 3.83Å; F299-K415 HydrophobicContact CD2-CB 4.23Å; F299-K415 HydrophobicContact CE2-CB 4.04Å; F299-K415 HydrophobicContact CZ-CB 4.45Å; F299-W419 PolarHBondContact O-N 3.5Å |
| 300 | R | 91.6 | Very high | 94.6 | Very high | 94 Ų | 94 | 29.1 Ų | 29.1 | 36% | 0.355 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 82.4 | 173.3 | -61.3 | -174.8 | 69 | 169.8 | 2.3 | 108.8 | A302 T303 N304 K305 W419 | R300-A302 VanDerWaalsContact C-N 3.3Å; R300-A302 PolarHBondContact O-N 3.04Å; R300-T303 PolarHBondContact O-N 3.32Å; R300-N304 PolarHBondContact O-N 2.76Å; R300-K305 HydrophobicContact CB-CB 4.4Å; R300-K305 PolarHBondContact N-O 3.16Å; R300-K305 PolarHBondContact O-N 2.81Å; R300-K305 VanDerWaalsContact O-N 3.15Å; R300-W419 HydrophobicContact CB-CZ3 4.47Å; R300-W419 HydrophobicContact CG-CE3 4.48Å; R300-W419 HydrophobicContact CG-CZ3 4.33Å |
| 301 | Q | 85.7 | Confident | 95.2 | Very high | 117 Ų | 117 | 30.5 Ų | 30.5 | 55% | 0.547 | 17% | 0.166 | S | C | . | . | G | 310 helix | trans | -57.4 | -41.1 | -173.8 | -69 | 176.1 | -12 | 0 | 0 | 112.5 | T303 N304 P418 | Q301-T303 PolarHBondContact O-N 2.73Å; Q301-N304 PolarHBondContact O-N 3.44Å; Q301-N304 VanDerWaalsContact O-N 3.13Å; Q301-P418 HydrophobicContact CG-CB 4Å |
| 302 | A | 87.4 | Confident | 95.5 | Very high | 85 Ų | 85 | 34 Ų | 34 | 70% | 0.702 | 18% | 0.18 | S | C | * | . | G | 310 helix | trans | -61 | -28 | -179 | 0 | 0 | 0 | 0 | 0 | 114.1 | R300 W419 | R300-A302 VanDerWaalsContact C-N 3.3Å; R300-A302 PolarHBondContact O-N 3.04Å; A302-W419 HydrophobicContact CB-CH2 4.04Å; A302-W419 HydrophobicContact CB-CZ2 3.86Å |
| 303 | T | 90.6 | Very high | 95.6 | Very high | 66 Ų | 66 | 32.5 Ų | 32.5 | 41% | 0.405 | 17% | 0.173 | S | C | . | . | G | 310 helix | trans | -111.3 | 5.2 | 178.5 | 59.7 | 0 | 0 | 0 | 0 | 112.8 | R300 Q301 K305 | R300-T303 PolarHBondContact O-N 3.32Å; Q301-T303 PolarHBondContact O-N 2.73Å; T303-K305 VanDerWaalsContact C-N 3.32Å; T303-K305 VanDerWaalsContact O-CG 3.23Å; T303-K305 WeakPolarHBondContact O-CG 3.31Å; T303-K305 PolarHBondContact O-N 3.06Å; T303-K305 WeakPolarHBondContact OG1-CG 3.17Å |
| 304 | N | 90.6 | Very high | 95.5 | Very high | 46 Ų | 46 | 35.1 Ų | 35.1 | 25% | 0.246 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.6 | 49.8 | -172.9 | -158 | 28.9 | 0 | 0 | 0 | 113.4 | R300 Q301 L364 P365 | R300-N304 PolarHBondContact O-N 2.76Å; Q301-N304 PolarHBondContact O-N 3.44Å; Q301-N304 VanDerWaalsContact O-N 3.13Å; N304-L364 PolarHBondContact ND2-O 3.49Å; N304-L364 VanDerWaalsContact O-CB 3.31Å; N304-L364 WeakPolarHBondContact O-CB 3.19Å; N304-L364 PolarHBondContact O-N 2.92Å; N304-P365 PolarHBondContact ND2-O 3.2Å |
| 305 | K | 94.5 | Very high | 95.1 | Very high | 64 Ų | 64 | 39.2 Ų | 39.2 | 28% | 0.278 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 154.2 | 179.7 | -52.2 | -167 | -172.4 | -128.9 | 0 | 111.6 | R300 T303 I361 F362 D363 | R300-K305 HydrophobicContact CB-CB 4.4Å; R300-K305 PolarHBondContact N-O 3.16Å; R300-K305 PolarHBondContact O-N 2.81Å; R300-K305 VanDerWaalsContact O-N 3.15Å; T303-K305 VanDerWaalsContact C-N 3.32Å; T303-K305 VanDerWaalsContact O-CG 3.23Å; T303-K305 WeakPolarHBondContact O-CG 3.31Å; T303-K305 PolarHBondContact O-N 3.06Å; T303-K305 WeakPolarHBondContact OG1-CG 3.17Å; K305-I361 HydrophobicContact CB-CG2 3.85Å; K305-I361 HydrophobicContact CD-CG2 3.51Å; K305-I361 HydrophobicContact CG-CG2 4.22Å; K305-F362 VanDerWaalsContact CA-O 3.26Å; K305-F362 WeakPolarHBondContact CA-O 3.2Å; K305-F362 WeakPolarHBondContact CB-O 3.1Å; K305-D363 WeakPolarHBondContact CD-OD1 3.27Å; K305-D363 WeakPolarHBondContact CE-OD1 3.15Å; K305-D363 IonicContact NZ-OD1 2.96Å; K305-D363 PolarHBondContact NZ-OD1 3.28Å |
| 306 | I | 95.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 131.3 | 165.4 | -170.8 | 172.3 | 0 | 0 | 0 | 109.4 | L297 F299 V308 I361 F362 L364 V377 W411 | L297-I306 HydrophobicContact CD2-CD1 4.12Å; F299-I306 HydrophobicContact CD1-CB 4.46Å; F299-I306 HydrophobicContact CD1-CD1 4.5Å; F299-I306 HydrophobicContact CD1-CG1 4.46Å; F299-I306 HydrophobicContact CE1-CB 4.4Å; F299-I306 HydrophobicContact CE1-CD1 3.87Å; F299-I306 HydrophobicContact CE1-CG1 4.3Å; F299-I306 HydrophobicContact CE2-CD1 4.03Å; F299-I306 HydrophobicContact CZ-CD1 3.61Å; F299-I306 HydrophobicContact CZ-CG1 4.37Å; I306-V308 HydrophobicContact CD1-CG2 4.35Å; I306-V308 HydrophobicContact CG1-CG2 4.22Å; I306-V308 HydrophobicContact CG2-CG2 4.45Å; I306-I361 WeakPolarHBondContact O-CA 3.4Å; I306-F362 HydrophobicContact CG2-CB 3.87Å; I306-F362 HydrophobicContact CG2-CD2 4.5Å; I306-F362 PolarHBondContact N-O 3.23Å; I306-F362 PolarHBondContact O-N 3.37Å; I306-L364 HydrophobicContact CB-CD1 4.21Å; I306-L364 HydrophobicContact CB-CD2 4.24Å; I306-L364 HydrophobicContact CB-CG 4.34Å; I306-L364 HydrophobicContact CG2-CD2 3.69Å; I306-L364 HydrophobicContact CG2-CG 4.18Å; I306-V377 HydrophobicContact CD1-CG2 4.36Å; I306-W411 HydrophobicContact CD1-CE3 4.32Å; I306-W411 HydrophobicContact CD1-CH2 3.84Å; I306-W411 HydrophobicContact CD1-CZ3 3.49Å; I306-W411 VanDerWaalsContact CD1-CZ3 3.49Å |
| 307 | C | 97.4 | Very high | 94 | Very high | 24 Ų | 24 | 39.9 Ų | 39.9 | 16% | 0.162 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 124.4 | 167.2 | -173.9 | 0 | 0 | 0 | 0 | 108.4 | L297 C298 F360 I361 | L297-C307 WeakPolarHBondContact CA-O 3.2Å; C298-C307 HydrophobicContact CB-CB 4.21Å; C298-C307 PolarHBondContact N-O 3.01Å; C298-C307 PolarHBondContact O-N 3.19Å; C307-F360 CarbonylContact C-O 3.53Å; C307-F360 WeakPolarHBondContact CA-O 3.18Å; C307-I361 HydrophobicContact CB-CG1 4.48Å |
| 308 | V | 98.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 113.9 | 176.1 | -175.2 | 0 | 0 | 0 | 0 | 107.6 | V295 S296 L297 I306 I331 F360 F362 V377 I379 | V295-V308 HydrophobicContact CG1-CG1 4.1Å; S296-V308 CarbonylContact O-C 3.33Å; S296-V308 WeakPolarHBondContact O-CA 3.3Å; L297-V308 HydrophobicContact CD2-CB 4.25Å; L297-V308 HydrophobicContact CD2-CG1 3.99Å; L297-V308 HydrophobicContact CD2-CG2 3.8Å; I306-V308 HydrophobicContact CD1-CG2 4.35Å; I306-V308 HydrophobicContact CG1-CG2 4.22Å; I306-V308 HydrophobicContact CG2-CG2 4.45Å; V308-I331 HydrophobicContact CG1-CD1 4.48Å; V308-I331 HydrophobicContact CG1-CG2 4.11Å; V308-F360 PolarHBondContact N-O 3.5Å; V308-F360 PolarHBondContact O-N 3.35Å; V308-F362 HydrophobicContact CB-CE2 4.35Å; V308-F362 HydrophobicContact CG2-CD2 4.05Å; V308-F362 HydrophobicContact CG2-CE2 4.13Å; V308-V377 HydrophobicContact CG1-CG1 4.27Å; V308-V377 HydrophobicContact CG2-CG1 4.23Å; V308-V377 HydrophobicContact CG2-CG2 4.19Å; V308-I379 HydrophobicContact CG1-CD1 4.39Å |
| 309 | A | 98.4 | Very high | 90.9 | Very high | 7 Ų | 7 | 43.9 Ų | 43.9 | 6% | 0.058 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 126.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | V295 S296 L311 E358 A359 | V295-A309 CarbonylContact C-O 3.49Å; V295-A309 WeakPolarHBondContact CA-O 3.28Å; S296-A309 PolarHBondContact N-O 3.37Å; S296-A309 PolarHBondContact O-N 3.31Å; A309-L311 HydrophobicContact CB-CD2 4.02Å; A309-E358 CarbonylContact C-O 3.4Å; A309-E358 WeakPolarHBondContact CA-O 3.21Å; A309-A359 HydrophobicContact CB-CB 3.98Å |
| 310 | V | 98.6 | Very high | 89 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 111.1 | 169.9 | -179.3 | 0 | 0 | 0 | 0 | 106.7 | V293 V329 I331 T345 Y356 N357 E358 | V293-V310 HydrophobicContact CG2-CG1 4.32Å; V310-V329 HydrophobicContact CG1-CB 4.18Å; V310-V329 HydrophobicContact CG1-CG1 4.29Å; V310-V329 HydrophobicContact CG1-CG2 3.88Å; V310-V329 HydrophobicContact CG2-CB 4.45Å; V310-V329 HydrophobicContact CG2-CG1 4Å; V310-I331 HydrophobicContact CG2-CD1 3.59Å; V310-I331 HydrophobicContact CG2-CG1 4.06Å; V310-T345 HydrophobicContact CB-CG2 4.05Å; V310-T345 HydrophobicContact CG1-CG2 4.22Å; V310-T345 HydrophobicContact CG2-CG2 4.27Å; V310-Y356 HydrophobicContact CG1-CD2 3.63Å; V310-Y356 HydrophobicContact CG1-CE2 4.24Å; V310-Y356 HydrophobicContact CG1-CG 4.08Å; V310-Y356 WeakPolarHBondContact O-CB 3.35Å; V310-N357 PolarHBondContact O-N 2.88Å; V310-N357 VanDerWaalsContact O-N 3.17Å; V310-E358 PolarHBondContact N-O 3.2Å; V310-E358 PolarHBondContact O-N 3.48Å; V310-E358 VanDerWaalsContact O-N 3.07Å |
| 311 | L | 98.5 | Very high | 86.9 | Confident | 41 Ų | 41 | 42.3 Ų | 42.3 | 22% | 0.215 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | -62.6 | -172.4 | -59.3 | -175.7 | 0 | 0 | 0 | 110.5 | L294 A309 Y356 N357 A423 | L294-L311 HydrophobicContact CB-CB 4.29Å; L294-L311 HydrophobicContact CD2-CB 4Å; L294-L311 HydrophobicContact CD2-CD1 3.85Å; L294-L311 HydrophobicContact CG-CB 4.03Å; L294-L311 HydrophobicContact CG-CD1 3.91Å; L294-L311 HydrophobicContact CG-CG 4.41Å; L294-L311 PolarHBondContact O-N 2.74Å; A309-L311 HydrophobicContact CB-CD2 4.02Å; L311-Y356 PolarHBondContact O-N 3.1Å; L311-N357 PolarHBondContact O-N 3.39Å; L311-N357 PolarHBondContact O-OD1 3.26Å; L311-A423 HydrophobicContact CD1-CB 4.33Å |
| 312 | K | 98.5 | Very high | 85.3 | Confident | 79 Ų | 79 | 37.8 Ų | 37.8 | 34% | 0.343 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 164.5 | -179.9 | 55.3 | 173.6 | 174.7 | 166.7 | 0 | 111.1 | L294 P354 V355 W425 | L294-K312 HydrophobicContact CB-CG 4Å; L294-K312 HydrophobicContact CD2-CG 4.07Å; L294-K312 PolarHBondContact N-O 3.39Å; K312-P354 CarbonylContact C-O 3.53Å; K312-P354 WeakPolarHBondContact CA-O 3.43Å; K312-P354 VanDerWaalsContact CB-O 3.3Å; K312-P354 WeakPolarHBondContact CB-O 3.4Å; K312-V355 HydrophobicContact CB-CG2 4.23Å; K312-W425 HydrophobicContact CD-CH2 3.93Å; K312-W425 HydrophobicContact CD-CZ2 4.21Å; K312-W425 HydrophobicContact CG-CH2 3.82Å; K312-W425 HydrophobicContact CG-CZ2 4.36Å |
| 313 | A | 98 | Very high | 84 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 2% | 0.017 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 162.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110 | E292 V293 L316 S353 P354 | E292-A313 CarbonylContact O-C 3.52Å; E292-A313 WeakPolarHBondContact O-CA 3.49Å; E292-A313 WeakPolarHBondContact O-CB 3.39Å; V293-A313 HydrophobicContact CB-CB 4.3Å; V293-A313 HydrophobicContact CG2-CB 4.35Å; A313-L316 HydrophobicContact CB-CD1 3.99Å; A313-L316 HydrophobicContact CB-CD2 3.93Å; A313-L316 HydrophobicContact CB-CG 4.03Å; A313-S353 CarbonylContact O-C 3.51Å; A313-S353 WeakPolarHBondContact O-CA 3.24Å; A313-P354 HydrophobicContact CB-CG 3.9Å; A313-P354 PolarHBondContact N-O 2.87Å |
| 314 | Q | 95.2 | Very high | 83 | Confident | 56 Ų | 56 | 37.7 Ų | 37.7 | 26% | 0.262 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 156.6 | 176.8 | 66.2 | -172.3 | 21.2 | 0 | 0 | 111.8 | G291 E292 L316 W425 | G291-Q314 VanDerWaalsContact CA-O 3.3Å; G291-Q314 WeakPolarHBondContact CA-O 3.32Å; E292-Q314 HydrophobicContact CG-CG 3.58Å; E292-Q314 PolarHBondContact N-O 2.95Å; E292-Q314 PolarHBondContact O-N 2.79Å; E292-Q314 PolarHBondContact OE1-NE2 2.93Å; Q314-L316 PolarHBondContact O-N 3.44Å; Q314-W425 HydrophobicContact CB-CH2 4.42Å; Q314-W425 VanDerWaalsContact CD-CH2 3.46Å; Q314-W425 HydrophobicContact CG-CH2 3.78Å; Q314-W425 HydrophobicContact CG-CZ3 3.79Å |
| 315 | N | 91.3 | Very high | 82.7 | Confident | 109 Ų | 109 | 35.5 Ų | 35.5 | 58% | 0.583 | 19% | 0.188 | S | C | * | . | S | Bend | trans | 55.9 | 32.9 | -178.8 | -54.2 | -39 | 0 | 0 | 0 | 112.5 | G291 V352 | G291-N315 WeakPolarHBondContact CA-O 3.28Å; G291-N315 PolarHBondContact N-O 3.46Å; N315-V352 PolarHBondContact N-O 2.81Å |
| 316 | L | 91.4 | Very high | 82.5 | Confident | 6 Ų | 6 | 33.4 Ų | 33.4 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | trans | -64.4 | 139 | 176.4 | -64.9 | -176.1 | 0 | 0 | 0 | 109.7 | A313 Q314 P327 V352 P354 V381 M393 L428 | A313-L316 HydrophobicContact CB-CD1 3.99Å; A313-L316 HydrophobicContact CB-CD2 3.93Å; A313-L316 HydrophobicContact CB-CG 4.03Å; Q314-L316 PolarHBondContact O-N 3.44Å; L316-P327 HydrophobicContact CD1-CB 3.62Å; L316-P327 HydrophobicContact CD1-CG 3.88Å; L316-V352 HydrophobicContact CB-CB 4.38Å; L316-V352 WeakPolarHBondContact CB-O 3.47Å; L316-V352 WeakPolarHBondContact CG-O 2.95Å; L316-V352 PolarHBondContact N-O 3.44Å; L316-V352 VanDerWaalsContact N-O 3.1Å; L316-P354 HydrophobicContact CD1-CG 3.76Å; L316-V381 HydrophobicContact CD1-CG1 3.99Å; L316-V381 HydrophobicContact CD2-CG1 4Å; L316-M393 HydrophobicContact CB-CE 3.7Å; L316-M393 HydrophobicContact CD1-CE 4.32Å; L316-M393 HydrophobicContact CD1-SD 4.21Å; L316-L428 HydrophobicContact CD2-CD1 3.41Å; L316-L428 VanDerWaalsContact CD2-CD1 3.41Å | ||
| 317 | P | 82.2 | Confident | 82.4 | Confident | 12 Ų | 12 | 33.4 Ų | 33.4 | 8% | 0.078 | 18% | 0.18 | C | C | . | . | trans | -70.4 | 138.9 | -176.9 | 31.9 | -38.7 | 0 | 0 | 0 | 110 | V287 R290 F319 M393 | V287-P317 HydrophobicContact CG1-CB 4.16Å; R290-P317 VanDerWaalsContact O-CD 3.22Å; R290-P317 WeakPolarHBondContact O-CD 3.44Å; P317-F319 HydrophobicContact CB-CD2 4.28Å; P317-F319 HydrophobicContact CB-CE2 3.43Å; P317-F319 VanDerWaalsContact CB-CE2 3.43Å; P317-F319 HydrophobicContact CB-CZ 3.75Å; P317-F319 HydrophobicContact CG-CE2 3.75Å; P317-F319 HydrophobicContact CG-CZ 4.39Å; P317-M393 HydrophobicContact CG-CB 4.4Å; P317-M393 HydrophobicContact CG-CE 4.13Å; P317-M393 WeakPolarHBondContact O-CE 3.39Å | ||
| 318 | T | 73.2 | Confident | 82.4 | Confident | 54 Ų | 54 | 32.8 Ų | 32.8 | 33% | 0.331 | 17% | 0.174 | S | C | . | . | trans | -110 | 121.2 | 170.3 | 46 | 0 | 0 | 0 | 0 | 109.3 | A325 V352 | T318-A325 HydrophobicContact CG2-CB 4.1Å; T318-V352 HydrophobicContact CG2-CG1 3.08Å | ||
| 319 | F | 58 | Low | 82.4 | Confident | 42 Ų | 42 | 32.8 Ų | 32.8 | 18% | 0.184 | 17% | 0.174 | C | C | . | . | trans | -114.3 | -14.3 | 169.6 | -54.5 | -79.6 | 0 | 0 | 0 | 111.6 | K283 F284 V287 P317 L321 | K283-F319 HydrophobicContact CB-CD1 3.82Å; K283-F319 HydrophobicContact CB-CE1 4.18Å; K283-F319 HydrophobicContact CB-CG 4.29Å; K283-F319 WeakPolarHBondContact O-CE1 3.29Å; F284-F319 HydrophobicContact CB-CE2 4.47Å; F284-F319 AromaticContact CD1-CD2 3.69Å; F284-F319 HydrophobicContact CD1-CD2 3.69Å; F284-F319 AromaticContact CD1-CE2 3.14Å; F284-F319 HydrophobicContact CD1-CE2 3.14Å; F284-F319 AromaticContact CD1-CZ 3.95Å; F284-F319 HydrophobicContact CD1-CZ 3.95Å; F284-F319 HydrophobicContact CD2-CD2 4.23Å; F284-F319 HydrophobicContact CD2-CE2 4.23Å; F284-F319 AromaticContact CE1-CD2 3.25Å; F284-F319 HydrophobicContact CE1-CD2 3.25Å; F284-F319 AromaticContact CE1-CE2 3.17Å; F284-F319 HydrophobicContact CE1-CE2 3.17Å; F284-F319 HydrophobicContact CE1-CG 4.47Å; F284-F319 HydrophobicContact CE1-CZ 4.34Å; F284-F319 AromaticContact CE2-CD2 3.83Å; F284-F319 HydrophobicContact CE2-CD2 3.83Å; F284-F319 HydrophobicContact CE2-CE2 4.23Å; F284-F319 HydrophobicContact CE2-CG 4.42Å; F284-F319 HydrophobicContact CG-CD2 4.15Å; F284-F319 AromaticContact CG-CE2 3.71Å; F284-F319 HydrophobicContact CG-CE2 3.71Å; F284-F319 HydrophobicContact CG-CZ 4.19Å; F284-F319 AromaticContact CZ-CD2 3.33Å; F284-F319 HydrophobicContact CZ-CD2 3.33Å; F284-F319 AromaticContact CZ-CE2 3.75Å; F284-F319 HydrophobicContact CZ-CE2 3.75Å; F284-F319 HydrophobicContact CZ-CG 4.25Å; V287-F319 HydrophobicContact CB-CE1 4.36Å; V287-F319 HydrophobicContact CB-CZ 3.82Å; V287-F319 HydrophobicContact CG1-CZ 4.31Å; V287-F319 HydrophobicContact CG2-CE1 3.27Å; V287-F319 HydrophobicContact CG2-CZ 3.2Å; P317-F319 HydrophobicContact CB-CD2 4.28Å; P317-F319 HydrophobicContact CB-CE2 3.43Å; P317-F319 VanDerWaalsContact CB-CE2 3.43Å; P317-F319 HydrophobicContact CB-CZ 3.75Å; P317-F319 HydrophobicContact CG-CE2 3.75Å; P317-F319 HydrophobicContact CG-CZ 4.39Å; F319-L321 PolarHBondContact O-N 2.89Å | ||
| 320 | D | 53.6 | Low | 82.4 | Confident | 13 Ų | 13 | 32.7 Ų | 32.7 | 7% | 0.07 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -57.2 | 120.9 | 163.2 | -110.9 | -0.8 | 0 | 0 | 0 | 108.9 | K200 T322 G323 Y324 | K200-D320 IonicContact NZ-OD1 2.68Å; K200-D320 IonicContact NZ-OD2 3.36Å; K200-D320 PolarHBondContact NZ-OD2 2.83Å; D320-T322 PolarHBondContact O-N 3.33Å; D320-G323 PolarHBondContact O-N 2.84Å; D320-Y324 WeakPolarHBondContact CB-O 3.44Å |
| 321 | L | 48.2 | Very low | 82.4 | Confident | 66 Ų | 66 | 32.7 Ų | 32.7 | 35% | 0.346 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -9 | -171.1 | -66.1 | 147.9 | 0 | 0 | 0 | 113.6 | L197 H237 L256 F319 | L197-L321 HydrophobicContact CD1-CB 3.43Å; L197-L321 VanDerWaalsContact CD1-CB 3.43Å; L197-L321 HydrophobicContact CD1-CD1 3.41Å; L197-L321 VanDerWaalsContact CD1-CD1 3.41Å; L197-L321 HydrophobicContact CD1-CG 3.99Å; L197-L321 HydrophobicContact CD2-CB 4.26Å; L197-L321 HydrophobicContact CG-CB 4.34Å; H237-L321 HydrophobicContact CB-CD1 4.33Å; L256-L321 HydrophobicContact CD1-CD1 4.14Å; L256-L321 HydrophobicContact CD1-CD2 3.29Å; L256-L321 HydrophobicContact CD1-CG 4.27Å; L256-L321 HydrophobicContact CD2-CD1 3.26Å; L256-L321 HydrophobicContact CD2-CD2 3.73Å; L256-L321 HydrophobicContact CD2-CG 4.06Å; L256-L321 HydrophobicContact CG-CD1 4.23Å; L256-L321 HydrophobicContact CG-CD2 4.13Å; F319-L321 PolarHBondContact O-N 2.89Å |
| 322 | T | 51.9 | Low | 82.3 | Confident | 21 Ų | 21 | 31 Ų | 31 | 13% | 0.129 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -7.9 | 169.6 | 48.6 | 0 | 0 | 0 | 0 | 113.7 | L197 P198 K200 D320 Y324 | L197-T322 HydrophobicContact CD2-CG2 4.02Å; P198-T322 VanDerWaalsContact O-CG2 3.26Å; P198-T322 WeakPolarHBondContact O-CG2 3.37Å; K200-T322 HydrophobicContact CD-CG2 4.08Å; K200-T322 VanDerWaalsContact CE-CG2 3.43Å; K200-T322 WeakPolarHBondContact CE-OG1 3.15Å; K200-T322 HydrophobicContact CG-CG2 3.75Å; D320-T322 PolarHBondContact O-N 3.33Å; T322-Y324 VanDerWaalsContact C-N 3.28Å; T322-Y324 WeakPolarHBondContact O-CD2 3.24Å; T322-Y324 WeakPolarHBondContact O-CE2 3.19Å |
| 323 | G | 61 | Low | 82.2 | Confident | 42 Ų | 42 | 27.2 Ų | 27.2 | 43% | 0.433 | 15% | 0.147 | S | C | . | . | S | Bend | trans | 76.9 | 11.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | D320 | D320-G323 PolarHBondContact O-N 2.84Š|
| 324 | Y | 67.9 | Low | 82.1 | Confident | 108 Ų | 108 | 27.7 Ų | 27.7 | 42% | 0.424 | 15% | 0.149 | S | C | . | . | trans | -133.6 | 148.3 | -178.8 | -58.1 | -78.4 | 0 | 0 | 0 | 110 | D320 T322 R350 | D320-Y324 WeakPolarHBondContact CB-O 3.44Å; T322-Y324 VanDerWaalsContact C-N 3.28Å; T322-Y324 WeakPolarHBondContact O-CD2 3.24Å; T322-Y324 WeakPolarHBondContact O-CE2 3.19Å; Y324-R350 HydrophobicContact CD1-CB 4.23Å; Y324-R350 VanDerWaalsContact CD1-O 3.25Å; Y324-R350 WeakPolarHBondContact CD1-O 3.18Å; Y324-R350 HydrophobicContact CG-CB 3.99Å | ||
| 325 | A | 84.5 | Confident | 81.9 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -109.8 | 165 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | T318 P327 R350 T351 M393 | T318-A325 HydrophobicContact CG2-CB 4.1Å; A325-P327 WeakPolarHBondContact O-CD 3.38Å; A325-R350 CarbonylContact O-C 3.59Å; A325-R350 WeakPolarHBondContact O-CA 3.3Å; A325-R350 PolarHBondContact O-N 3.24Å; A325-T351 PolarHBondContact O-N 3.36Å; A325-M393 HydrophobicContact CB-CE 3.8Å | ||
| 326 | D | 90.1 | Very high | 81.8 | Confident | 20 Ų | 20 | 26.6 Ų | 26.6 | 11% | 0.107 | 14% | 0.144 | C | C | . | . | trans | -111.6 | 65.9 | 170.7 | -67.1 | -30.7 | 0 | 0 | 0 | 109.7 | V347 K348 K349 R350 D383 W384 | D326-V347 HydrophobicContact CB-CG1 3.99Å; D326-V347 WeakPolarHBondContact O-CG1 3.29Å; D326-K348 CarbonylContact C-O 3.55Å; D326-K348 VanDerWaalsContact CA-O 3.31Å; D326-K348 WeakPolarHBondContact CA-O 2.94Å; D326-K349 WeakPolarHBondContact OD1-CA 3.45Å; D326-R350 PolarHBondContact OD1-N 3.43Å; D326-D383 PolarHBondContact N-OD1 2.94Å; D326-W384 HydrophobicContact CB-CB 4.14Å; D326-W384 HydrophobicContact CB-CE3 4.28Å; D326-W384 WeakPolarHBondContact CB-O 3.34Å; D326-W384 VanDerWaalsContact O-CB 3.28Å; D326-W384 WeakPolarHBondContact O-CB 3.33Å; D326-W384 PolarHBondContact O-N 2.68Å | ||
| 327 | P | 94.8 | Very high | 81.7 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 140.6 | -167.1 | 30 | -40.8 | 0 | 0 | 0 | 114.4 | L316 A325 K348 T351 P354 Y356 M382 M393 | L316-P327 HydrophobicContact CD1-CB 3.62Å; L316-P327 HydrophobicContact CD1-CG 3.88Å; A325-P327 WeakPolarHBondContact O-CD 3.38Å; P327-K348 WeakPolarHBondContact CD-O 3.22Å; P327-K348 PolarHBondContact O-N 3.1Å; P327-T351 WeakPolarHBondContact CD-O 3.26Å; P327-T351 HydrophobicContact CG-CG2 3.97Å; P327-T351 WeakPolarHBondContact CG-O 3.3Å; P327-P354 HydrophobicContact CB-CG 4.19Å; P327-P354 HydrophobicContact CG-CB 3.86Å; P327-P354 HydrophobicContact CG-CG 3.63Å; P327-Y356 WeakPolarHBondContact CB-OH 3.25Å; P327-Y356 PolarHBondContact O-OH 3.02Å; P327-M382 CarbonylContact C-O 3.42Å; P327-M382 VanDerWaalsContact CA-O 3.22Å; P327-M382 WeakPolarHBondContact CA-O 3.27Å; P327-M393 HydrophobicContact CB-SD 4.09Å |
| 328 | Y | 97.1 | Very high | 82.1 | Confident | 10 Ų | 10 | 33.9 Ų | 33.9 | 4% | 0.039 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 163.7 | 166.7 | 75 | -77.5 | 0 | 0 | 0 | 110.6 | K330 V347 M382 W384 N390 | Y328-K330 HydrophobicContact CD2-CG 4.4Å; Y328-K330 HydrophobicContact CE2-CD 4.26Å; Y328-K330 HydrophobicContact CE2-CG 3.72Å; Y328-K330 WeakPolarHBondContact OH-CE 3.11Å; Y328-V347 HydrophobicContact CD1-CG2 4.28Å; Y328-V347 HydrophobicContact CG-CG2 4.2Å; Y328-M382 HydrophobicContact CD1-CB 3.63Å; Y328-M382 HydrophobicContact CD2-CB 4.32Å; Y328-M382 HydrophobicContact CE1-CB 3.21Å; Y328-M382 HydrophobicContact CE1-CG 4.07Å; Y328-M382 HydrophobicContact CE2-CB 3.95Å; Y328-M382 HydrophobicContact CE2-CG 3.95Å; Y328-M382 HydrophobicContact CG-CB 4.17Å; Y328-M382 PolarHBondContact N-O 2.97Å; Y328-M382 PolarHBondContact O-N 2.82Å; Y328-W384 HydrophobicContact CD1-CB 3.78Å; Y328-W384 HydrophobicContact CE1-CB 3.94Å; Y328-N390 HydrophobicContact CE1-CB 4.31Å; Y328-N390 PolarHBondContact OH-ND2 3.02Å |
| 329 | V | 98.2 | Very high | 83.1 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 125.8 | -174.5 | -176.1 | 0 | 0 | 0 | 0 | 110.3 | V310 I331 K344 T345 Y356 I379 L380 V381 | V310-V329 HydrophobicContact CG1-CB 4.18Å; V310-V329 HydrophobicContact CG1-CG1 4.29Å; V310-V329 HydrophobicContact CG1-CG2 3.88Å; V310-V329 HydrophobicContact CG2-CB 4.45Å; V310-V329 HydrophobicContact CG2-CG1 4Å; V329-I331 HydrophobicContact CG1-CG1 4.26Å; V329-K344 CarbonylContact O-C 3.54Å; V329-K344 WeakPolarHBondContact O-CA 3.31Å; V329-T345 HydrophobicContact CB-CG2 3.84Å; V329-T345 HydrophobicContact CG2-CG2 4.49Å; V329-T345 PolarHBondContact N-OG1 3.23Å; V329-T345 PolarHBondContact O-N 2.65Å; V329-Y356 HydrophobicContact CG2-CD2 4.46Å; V329-Y356 HydrophobicContact CG2-CE1 4.47Å; V329-Y356 HydrophobicContact CG2-CE2 3.8Å; V329-I379 HydrophobicContact CG1-CG2 3.35Å; V329-L380 CarbonylContact C-O 3.59Å; V329-L380 WeakPolarHBondContact CA-O 3.11Å; V329-V381 HydrophobicContact CG2-CG2 4.11Å |
| 330 | K | 97.9 | Very high | 84.8 | Confident | 6 Ų | 6 | 37.5 Ų | 37.5 | 3% | 0.026 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 134.8 | 167.3 | -68.6 | 178.6 | 171.8 | 178.2 | 0 | 108.8 | E131 D132 Y328 Y332 I379 L380 M382 | E131-K330 IonicContact OE2-NZ 2.79Å; E131-K330 PolarHBondContact OE2-NZ 2.72Å; D132-K330 IonicContact OD1-NZ 3.91Å; D132-K330 PolarHBondContact OD1-NZ 2.83Å; Y328-K330 HydrophobicContact CD2-CG 4.4Å; Y328-K330 HydrophobicContact CE2-CD 4.26Å; Y328-K330 HydrophobicContact CE2-CG 3.72Å; Y328-K330 WeakPolarHBondContact OH-CE 3.11Å; K330-Y332 HydrophobicContact CB-CE2 3.79Å; K330-Y332 HydrophobicContact CD-CE2 4.36Å; K330-I379 WeakPolarHBondContact O-CA 2.87Å; K330-L380 HydrophobicContact CB-CB 4.4Å; K330-L380 PolarHBondContact N-O 2.91Å; K330-L380 PolarHBondContact O-N 3.36Å; K330-M382 HydrophobicContact CD-CG 4.16Å; K330-M382 HydrophobicContact CD-SD 4.45Å; K330-M382 HydrophobicContact CG-CG 4.15Å |
| 331 | I | 98.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 123.1 | 179.5 | -50 | 161.7 | 0 | 0 | 0 | 107.7 | V308 V310 V329 K342 K343 F360 F362 V377 E378 I379 | V308-I331 HydrophobicContact CG1-CD1 4.48Å; V308-I331 HydrophobicContact CG1-CG2 4.11Å; V310-I331 HydrophobicContact CG2-CD1 3.59Å; V310-I331 HydrophobicContact CG2-CG1 4.06Å; V329-I331 HydrophobicContact CG1-CG1 4.26Å; I331-K342 CarbonylContact O-C 3.56Å; I331-K342 VanDerWaalsContact O-CA 3.32Å; I331-K342 WeakPolarHBondContact O-CA 3.49Å; I331-K343 PolarHBondContact N-O 2.83Å; I331-K343 PolarHBondContact O-N 3.29Å; I331-F360 HydrophobicContact CD1-CB 4.41Å; I331-F360 HydrophobicContact CD1-CD2 3.2Å; I331-F360 HydrophobicContact CD1-CE2 3.61Å; I331-F360 HydrophobicContact CD1-CG 3.97Å; I331-F362 HydrophobicContact CB-CE2 4.41Å; I331-F362 HydrophobicContact CB-CZ 4.07Å; I331-F362 HydrophobicContact CG2-CE2 3.71Å; I331-F362 HydrophobicContact CG2-CZ 3.71Å; I331-V377 HydrophobicContact CG2-CG1 3.81Å; I331-E378 CarbonylContact C-O 3.56Å; I331-E378 WeakPolarHBondContact CA-O 3.44Å; I331-I379 HydrophobicContact CG2-CG1 4.34Å |
| 332 | Y | 97.5 | Very high | 89.1 | Confident | 5 Ų | 5 | 38.8 Ų | 38.8 | 2% | 0.02 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 136.9 | 177.2 | -63.6 | -87.8 | 0 | 0 | 0 | 110.4 | D132 K330 L334 K339 A341 K342 V377 E378 L380 | D132-Y332 PolarHBondContact OD1-OH 2.88Å; D132-Y332 WeakPolarHBondContact OD2-CE1 3.23Å; D132-Y332 PolarHBondContact OD2-OH 2.91Å; K330-Y332 HydrophobicContact CB-CE2 3.79Å; K330-Y332 HydrophobicContact CD-CE2 4.36Å; Y332-L334 WeakPolarHBondContact O-CD1 3.4Å; Y332-K339 HydrophobicContact CD1-CB 4.21Å; Y332-K339 HydrophobicContact CD1-CD 3.57Å; Y332-K339 HydrophobicContact CD1-CG 4Å; Y332-K339 HydrophobicContact CE1-CD 3.78Å; Y332-K339 HydrophobicContact CG-CD 3.98Å; Y332-K339 HydrophobicContact CG-CG 4.31Å; Y332-A341 VanDerWaalsContact CA-O 3.31Å; Y332-A341 WeakPolarHBondContact CA-O 3.41Å; Y332-K342 HydrophobicContact CD1-CB 3.93Å; Y332-K342 HydrophobicContact CD1-CD 4.41Å; Y332-K342 HydrophobicContact CD1-CG 3.95Å; Y332-K342 HydrophobicContact CE1-CB 3.9Å; Y332-K342 HydrophobicContact CE1-CD 3.55Å; Y332-K342 HydrophobicContact CE1-CG 3.55Å; Y332-K342 WeakPolarHBondContact OH-CE 3.23Å; Y332-K342 PolarHBondContact OH-NZ 2.81Å; Y332-V377 CarbonylContact O-C 3.58Å; Y332-V377 VanDerWaalsContact O-CA 3.32Å; Y332-V377 WeakPolarHBondContact O-CA 3.26Å; Y332-E378 PolarHBondContact N-O 3.11Å; Y332-E378 PolarHBondContact O-N 2.89Å; Y332-L380 HydrophobicContact CD2-CD1 3.68Å; Y332-L380 HydrophobicContact CE2-CD1 3.72Å |
| 333 | L | 96.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 130.5 | 161.7 | -175.6 | 68.1 | 0 | 0 | 0 | 108.1 | I340 A341 F362 D363 L364 I375 V377 | L333-I340 HydrophobicContact CB-CG1 4.14Å; L333-I340 HydrophobicContact CD2-CD1 3.53Å; L333-I340 HydrophobicContact CD2-CG1 4.07Å; L333-I340 HydrophobicContact CG-CD1 3.9Å; L333-I340 HydrophobicContact CG-CG1 3.97Å; L333-I340 VanDerWaalsContact O-CG1 3.26Å; L333-I340 WeakPolarHBondContact O-CG1 3.29Å; L333-I340 PolarHBondContact O-N 3.01Å; L333-A341 HydrophobicContact CB-CB 4.2Å; L333-A341 PolarHBondContact N-O 2.86Å; L333-A341 PolarHBondContact O-N 2.82Å; L333-F362 HydrophobicContact CB-CD1 3.89Å; L333-F362 HydrophobicContact CB-CE1 4.26Å; L333-F362 HydrophobicContact CB-CG 4.33Å; L333-F362 HydrophobicContact CD2-CB 4Å; L333-D363 WeakPolarHBondContact CD2-O 3.38Å; L333-L364 HydrophobicContact CD1-CD2 4.11Å; L333-L364 HydrophobicContact CD2-CD2 4.2Å; L333-I375 HydrophobicContact CD1-CG2 3.71Å; L333-V377 HydrophobicContact CD1-CG2 4.1Å |
| 334 | L | 94.8 | Very high | 93 | Very high | 11 Ų | 11 | 47 Ų | 47 | 6% | 0.058 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 147.4 | -178.5 | -59.8 | 89.7 | 0 | 0 | 0 | 111 | Y332 I338 K339 I375 S376 E378 | Y332-L334 WeakPolarHBondContact O-CD1 3.4Å; L334-I338 CarbonylContact C-O 3.56Å; L334-I338 WeakPolarHBondContact CA-O 3.12Å; L334-K339 HydrophobicContact CD2-CG 3.95Å; L334-K339 HydrophobicContact CG-CG 4.03Å; L334-I375 VanDerWaalsContact O-CA 3.31Å; L334-I375 WeakPolarHBondContact O-CA 3.43Å; L334-S376 PolarHBondContact N-O 3.23Å; L334-S376 PolarHBondContact O-N 2.89Å; L334-E378 HydrophobicContact CD1-CB 3.39Å |
| 335 | I | 91.8 | Very high | 94.5 | Very high | 39 Ų | 39 | 42.3 Ų | 42.3 | 20% | 0.2 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 119.5 | 166.3 | -58.2 | 173 | 0 | 0 | 0 | 107.7 | G337 I338 I340 P365 V371 K374 | I335-G337 PolarHBondContact O-N 2.7Å; I335-I338 PolarHBondContact N-O 3.25Å; I335-I338 WeakPolarHBondContact O-CB 3.22Å; I335-I338 PolarHBondContact O-N 2.96Å; I335-I340 HydrophobicContact CD1-CD1 3.5Å; I335-I340 HydrophobicContact CD1-CG1 4.27Å; I335-I340 HydrophobicContact CD1-CG2 4.1Å; I335-I340 HydrophobicContact CG1-CD1 3.78Å; I335-I340 HydrophobicContact CG1-CG1 4.18Å; I335-I340 HydrophobicContact CG1-CG2 4.29Å; I335-P365 HydrophobicContact CD1-CB 4.45Å; I335-P365 HydrophobicContact CD1-CG 3.27Å; I335-P365 HydrophobicContact CG1-CG 4.19Å; I335-V371 HydrophobicContact CG2-CG1 3.86Å; I335-K374 CarbonylContact C-O 3.53Å; I335-K374 WeakPolarHBondContact CA-O 3.5Å |
| 336 | N | 89.3 | Confident | 95.1 | Very high | 103 Ų | 103 | 48.6 Ų | 48.6 | 55% | 0.551 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 38.7 | 179 | -161.3 | 49.3 | 0 | 0 | 0 | 112.4 | I338 K374 | N336-I338 VanDerWaalsContact C-N 3.26Å; N336-I338 PolarHBondContact O-N 2.84Å; N336-K374 HydrophobicContact CB-CB 4.19Å; N336-K374 HydrophobicContact CB-CD 4.15Å; N336-K374 PolarHBondContact N-O 2.93Å |
| 337 | G | 88.8 | Confident | 95.4 | Very high | 59 Ų | 59 | 50.1 Ų | 50.1 | 61% | 0.608 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.1 | -1.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | I335 | I335-G337 PolarHBondContact O-N 2.7Š|
| 338 | I | 91.4 | Very high | 95.5 | Very high | 113 Ų | 113 | 53.5 Ų | 53.5 | 58% | 0.579 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 122.5 | 177.6 | -55.6 | 176.8 | 0 | 0 | 0 | 108.9 | L334 I335 N336 I340 | L334-I338 CarbonylContact C-O 3.56Å; L334-I338 WeakPolarHBondContact CA-O 3.12Å; I335-I338 PolarHBondContact N-O 3.25Å; I335-I338 WeakPolarHBondContact O-CB 3.22Å; I335-I338 PolarHBondContact O-N 2.96Å; N336-I338 VanDerWaalsContact C-N 3.26Å; N336-I338 PolarHBondContact O-N 2.84Å; I338-I340 PolarHBondContact O-N 3.32Å |
| 339 | K | 94 | Very high | 95.2 | Very high | 87 Ų | 87 | 60.4 Ų | 60.4 | 38% | 0.378 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 121.3 | 175 | -64.5 | 175.9 | 175 | -156.3 | 0 | 109.7 | Y332 L334 E378 | Y332-K339 HydrophobicContact CD1-CB 4.21Å; Y332-K339 HydrophobicContact CD1-CD 3.57Å; Y332-K339 HydrophobicContact CD1-CG 4Å; Y332-K339 HydrophobicContact CE1-CD 3.78Å; Y332-K339 HydrophobicContact CG-CD 3.98Å; Y332-K339 HydrophobicContact CG-CG 4.31Å; L334-K339 HydrophobicContact CD2-CG 3.95Å; L334-K339 HydrophobicContact CG-CG 4.03Å; K339-E378 WeakPolarHBondContact CE-OE2 2.99Å; K339-E378 IonicContact NZ-OE2 2.76Å; K339-E378 PolarHBondContact NZ-OE2 3.34Å |
| 340 | I | 92.7 | Very high | 94.6 | Very high | 84 Ų | 84 | 67.8 Ų | 67.8 | 43% | 0.431 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | -21.5 | -178.7 | 57.3 | 151.4 | 0 | 0 | 0 | 113.6 | L333 I335 I338 | L333-I340 HydrophobicContact CB-CG1 4.14Å; L333-I340 HydrophobicContact CD2-CD1 3.53Å; L333-I340 HydrophobicContact CD2-CG1 4.07Å; L333-I340 HydrophobicContact CG-CD1 3.9Å; L333-I340 HydrophobicContact CG-CG1 3.97Å; L333-I340 VanDerWaalsContact O-CG1 3.26Å; L333-I340 WeakPolarHBondContact O-CG1 3.29Å; L333-I340 PolarHBondContact O-N 3.01Å; I335-I340 HydrophobicContact CD1-CD1 3.5Å; I335-I340 HydrophobicContact CD1-CG1 4.27Å; I335-I340 HydrophobicContact CD1-CG2 4.1Å; I335-I340 HydrophobicContact CG1-CD1 3.78Å; I335-I340 HydrophobicContact CG1-CG1 4.18Å; I335-I340 HydrophobicContact CG1-CG2 4.29Å; I338-I340 PolarHBondContact O-N 3.32Å |
| 341 | A | 95.5 | Very high | 94.3 | Very high | 36 Ų | 36 | 69.3 Ų | 69.3 | 30% | 0.298 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 153 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y332 L333 F362 | Y332-A341 VanDerWaalsContact CA-O 3.31Å; Y332-A341 WeakPolarHBondContact CA-O 3.41Å; L333-A341 HydrophobicContact CB-CB 4.2Å; L333-A341 PolarHBondContact N-O 2.86Å; L333-A341 PolarHBondContact O-N 2.82Å; A341-F362 HydrophobicContact CB-CD1 3.68Å; A341-F362 HydrophobicContact CB-CE1 3.89Å |
| 342 | K | 97.1 | Very high | 94 | Very high | 70 Ų | 70 | 71.5 Ų | 71.5 | 30% | 0.304 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 139.2 | -179 | -177.5 | -176.1 | -172.1 | 166.6 | 0 | 110.1 | G128 D132 I331 Y332 | G128-K342 PolarHBondContact O-NZ 3.36Å; D132-K342 IonicContact OD1-NZ 2.66Å; D132-K342 PolarHBondContact OD1-NZ 2.69Å; D132-K342 IonicContact OD2-NZ 3.25Å; D132-K342 PolarHBondContact OD2-NZ 3.2Å; I331-K342 CarbonylContact O-C 3.56Å; I331-K342 VanDerWaalsContact O-CA 3.32Å; I331-K342 WeakPolarHBondContact O-CA 3.49Å; Y332-K342 HydrophobicContact CD1-CB 3.93Å; Y332-K342 HydrophobicContact CD1-CD 4.41Å; Y332-K342 HydrophobicContact CD1-CG 3.95Å; Y332-K342 HydrophobicContact CE1-CB 3.9Å; Y332-K342 HydrophobicContact CE1-CD 3.55Å; Y332-K342 HydrophobicContact CE1-CG 3.55Å; Y332-K342 WeakPolarHBondContact OH-CE 3.23Å; Y332-K342 PolarHBondContact OH-NZ 2.81Å |
| 343 | K | 97.9 | Very high | 93.8 | Very high | 96 Ų | 96 | 74 Ų | 74 | 42% | 0.417 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 162.8 | 168.4 | -62.2 | -71.1 | -176.8 | -179.6 | 0 | 109 | I331 F360 F362 | I331-K343 PolarHBondContact N-O 2.83Å; I331-K343 PolarHBondContact O-N 3.29Å; K343-F360 HydrophobicContact CB-CB 4.1Å; K343-F360 HydrophobicContact CB-CD1 3.59Å; K343-F360 HydrophobicContact CB-CE1 4.18Å; K343-F360 HydrophobicContact CB-CG 3.85Å; K343-F360 HydrophobicContact CD-CD1 4.18Å; K343-F360 HydrophobicContact CG-CB 4.05Å; K343-F360 HydrophobicContact CG-CD1 3.99Å; K343-F360 HydrophobicContact CG-CG 4.26Å; K343-F362 HydrophobicContact CB-CE1 4.33Å; K343-F362 HydrophobicContact CB-CZ 3.77Å; K343-F362 HydrophobicContact CG-CD1 4.46Å; K343-F362 HydrophobicContact CG-CE1 3.59Å; K343-F362 HydrophobicContact CG-CE2 4.15Å; K343-F362 HydrophobicContact CG-CZ 3.4Å; K343-F362 VanDerWaalsContact CG-CZ 3.4Å |
| 344 | K | 97.8 | Very high | 93.9 | Very high | 141 Ų | 141 | 74.1 Ų | 74.1 | 61% | 0.613 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 147.7 | 177.5 | 66.7 | -178.5 | -178.5 | -178 | 0 | 111.6 | V329 F360 | V329-K344 CarbonylContact O-C 3.54Å; V329-K344 WeakPolarHBondContact O-CA 3.31Å; K344-F360 VanDerWaalsContact O-CE1 3.31Å; K344-F360 WeakPolarHBondContact O-CE1 3.22Å; K344-F360 VanDerWaalsContact O-CZ 3.23Å; K344-F360 WeakPolarHBondContact O-CZ 3.42Å |
| 345 | T | 98.5 | Very high | 94 | Very high | 8 Ų | 8 | 77.2 Ų | 77.2 | 5% | 0.049 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -78.3 | 171.1 | 171.2 | 68.5 | 0 | 0 | 0 | 0 | 111.7 | V310 V329 Y356 E358 F360 | V310-T345 HydrophobicContact CB-CG2 4.05Å; V310-T345 HydrophobicContact CG1-CG2 4.22Å; V310-T345 HydrophobicContact CG2-CG2 4.27Å; V329-T345 HydrophobicContact CB-CG2 3.84Å; V329-T345 HydrophobicContact CG2-CG2 4.49Å; V329-T345 PolarHBondContact N-OG1 3.23Å; V329-T345 PolarHBondContact O-N 2.65Å; T345-Y356 HydrophobicContact CG2-CD1 4.04Å; T345-Y356 HydrophobicContact CG2-CG 4.27Å; T345-Y356 WeakPolarHBondContact OG1-CE1 3.42Å; T345-E358 VanDerWaalsContact CA-OE2 3.32Å; T345-E358 WeakPolarHBondContact CA-OE2 3.26Å; T345-E358 WeakPolarHBondContact CB-OE1 3.21Å; T345-E358 HydrophobicContact CG2-CB 4.31Å; T345-F360 HydrophobicContact CG2-CE2 3.88Å; T345-F360 HydrophobicContact CG2-CZ 4.1Å |
| 346 | H | 97.8 | Very high | 94.3 | Very high | 133 Ų | 133 | 75.9 Ų | 75.9 | 62% | 0.616 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -67 | 153.5 | 163 | -63 | 80.1 | 0 | 0 | 0 | 110.9 | Y356 E358 | H346-Y356 WeakPolarHBondContact O-CE1 3.38Å; H346-E358 WeakPolarHBondContact CB-OE1 3.21Å; H346-E358 IonicContact CE1-OE2 3.07Å; H346-E358 IonicContact CG-OE1 3.87Å; H346-E358 IonicContact CG-OE2 3.18Å; H346-E358 PolarHBondContact N-OE1 2.86Å; H346-E358 PolarHBondContact N-OE2 3.27Å; H346-E358 VanDerWaalsContact N-OE2 3.14Å; H346-E358 VanDerWaalsContact ND1-CD 3.25Å; H346-E358 IonicContact ND1-OE1 3.02Å; H346-E358 PolarHBondContact ND1-OE1 2.86Å; H346-E358 IonicContact ND1-OE2 3.56Å; H346-E358 PolarHBondContact ND1-OE2 2.85Å |
| 347 | V | 96.1 | Very high | 94.8 | Very high | 52 Ų | 52 | 76.5 Ų | 76.5 | 32% | 0.315 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -77.6 | 125.7 | 173.5 | 179.6 | 0 | 0 | 0 | 0 | 109.1 | D326 Y328 K349 W384 | D326-V347 HydrophobicContact CB-CG1 3.99Å; D326-V347 WeakPolarHBondContact O-CG1 3.29Å; Y328-V347 HydrophobicContact CD1-CG2 4.28Å; Y328-V347 HydrophobicContact CG-CG2 4.2Å; V347-K349 HydrophobicContact CG1-CG 4.49Å; V347-W384 HydrophobicContact CG1-CB 3.74Å; V347-W384 HydrophobicContact CG1-CD2 4.46Å; V347-W384 HydrophobicContact CG1-CG 4.16Å; V347-W384 HydrophobicContact CG2-CB 4.01Å; V347-W384 HydrophobicContact CG2-CG 4Å |
| 348 | K | 95.7 | Very high | 95.2 | Very high | 70 Ų | 70 | 75.1 Ų | 75.1 | 30% | 0.304 | 37% | 0.369 | S | S | . | . | trans | -98.4 | 113.7 | 173.2 | -62.8 | -70.4 | 169.6 | 159.9 | 0 | 107.9 | D326 P327 T351 P354 V355 Y356 | D326-K348 CarbonylContact C-O 3.55Å; D326-K348 VanDerWaalsContact CA-O 3.31Å; D326-K348 WeakPolarHBondContact CA-O 2.94Å; P327-K348 WeakPolarHBondContact CD-O 3.22Å; P327-K348 PolarHBondContact O-N 3.1Å; K348-T351 HydrophobicContact CB-CG2 3.79Å; K348-P354 HydrophobicContact CB-CB 3.78Å; K348-P354 HydrophobicContact CG-CB 3.87Å; K348-V355 WeakPolarHBondContact CE-O 3.12Å; K348-V355 PolarHBondContact NZ-O 3.4Å; K348-Y356 HydrophobicContact CB-CE1 4.4Å; K348-Y356 HydrophobicContact CG-CD1 3.85Å; K348-Y356 HydrophobicContact CG-CE1 3.56Å | ||
| 349 | K | 90.7 | Very high | 95.6 | Very high | 155 Ų | 155 | 72.8 Ų | 72.8 | 67% | 0.674 | 37% | 0.367 | S | S | * | . | trans | -79.3 | 142.8 | -173.2 | -65.3 | -179.6 | -179.9 | 172.6 | 0 | 111.9 | D326 V347 T351 | D326-K349 WeakPolarHBondContact OD1-CA 3.45Å; V347-K349 HydrophobicContact CG1-CG 4.49Å; K349-T351 PolarHBondContact O-N 3.43Å | ||
| 350 | R | 86.8 | Confident | 95.7 | Very high | 156 Ų | 156 | 70.1 Ų | 70.1 | 59% | 0.589 | 36% | 0.356 | S | S | * | . | S | Bend | trans | 51 | 52.7 | 169.8 | -58.5 | -180 | 68.4 | 167 | 2.8 | 113.9 | Y324 A325 D326 | Y324-R350 HydrophobicContact CD1-CB 4.23Å; Y324-R350 VanDerWaalsContact CD1-O 3.25Å; Y324-R350 WeakPolarHBondContact CD1-O 3.18Å; Y324-R350 HydrophobicContact CG-CB 3.99Å; A325-R350 CarbonylContact O-C 3.59Å; A325-R350 WeakPolarHBondContact O-CA 3.3Å; A325-R350 PolarHBondContact O-N 3.24Å; D326-R350 PolarHBondContact OD1-N 3.43Å |
| 351 | T | 91.2 | Very high | 96 | Very high | 37 Ų | 37 | 69.9 Ų | 69.9 | 23% | 0.227 | 35% | 0.354 | C | S | . | . | trans | -146.7 | 148 | -179.7 | -176.3 | 0 | 0 | 0 | 0 | 112.8 | A325 P327 K348 K349 S353 P354 | A325-T351 PolarHBondContact O-N 3.36Å; P327-T351 WeakPolarHBondContact CD-O 3.26Å; P327-T351 HydrophobicContact CG-CG2 3.97Å; P327-T351 WeakPolarHBondContact CG-O 3.3Å; K348-T351 HydrophobicContact CB-CG2 3.79Å; K349-T351 PolarHBondContact O-N 3.43Å; T351-S353 PolarHBondContact OG1-N 2.99Å; T351-S353 VanDerWaalsContact OG1-N 3.1Å; T351-P354 HydrophobicContact CG2-CB 3.84Å | ||
| 352 | V | 91.3 | Very high | 96 | Very high | 46 Ų | 46 | 68.4 Ų | 68.4 | 28% | 0.279 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -106.4 | -3.8 | 171 | -58.8 | 0 | 0 | 0 | 0 | 113.2 | N315 L316 T318 P354 | N315-V352 PolarHBondContact N-O 2.81Å; L316-V352 HydrophobicContact CB-CB 4.38Å; L316-V352 WeakPolarHBondContact CB-O 3.47Å; L316-V352 WeakPolarHBondContact CG-O 2.95Å; L316-V352 PolarHBondContact N-O 3.44Å; L316-V352 VanDerWaalsContact N-O 3.1Å; T318-V352 HydrophobicContact CG2-CG1 3.08Å; V352-P354 VanDerWaalsContact C-CD 3.45Å |
| 353 | S | 94.8 | Very high | 95.9 | Very high | 59 Ų | 59 | 70 Ų | 70 | 41% | 0.413 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -133 | 62.1 | -179.9 | -60.8 | 0 | 0 | 0 | 0 | 109.6 | A313 T351 | A313-S353 CarbonylContact O-C 3.51Å; A313-S353 WeakPolarHBondContact O-CA 3.24Å; T351-S353 PolarHBondContact OG1-N 2.99Å; T351-S353 VanDerWaalsContact OG1-N 3.1Å |
| 354 | P | 96.9 | Very high | 95.6 | Very high | 2 Ų | 2 | 66.5 Ų | 66.5 | 1% | 0.013 | 34% | 0.339 | C | S | . | . | trans | -67.8 | 142.1 | -177.4 | 29.8 | -36.9 | 0 | 0 | 0 | 111.7 | K312 A313 L316 P327 K348 T351 V352 Y356 | K312-P354 CarbonylContact C-O 3.53Å; K312-P354 WeakPolarHBondContact CA-O 3.43Å; K312-P354 VanDerWaalsContact CB-O 3.3Å; K312-P354 WeakPolarHBondContact CB-O 3.4Å; A313-P354 HydrophobicContact CB-CG 3.9Å; A313-P354 PolarHBondContact N-O 2.87Å; L316-P354 HydrophobicContact CD1-CG 3.76Å; P327-P354 HydrophobicContact CB-CG 4.19Å; P327-P354 HydrophobicContact CG-CB 3.86Å; P327-P354 HydrophobicContact CG-CG 3.63Å; K348-P354 HydrophobicContact CB-CB 3.78Å; K348-P354 HydrophobicContact CG-CB 3.87Å; T351-P354 HydrophobicContact CG2-CB 3.84Å; V352-P354 VanDerWaalsContact C-CD 3.45Å; P354-Y356 HydrophobicContact CB-CD2 4.37Å; P354-Y356 HydrophobicContact CB-CE1 4.24Å; P354-Y356 HydrophobicContact CB-CE2 3.66Å; P354-Y356 HydrophobicContact CG-CD2 4.48Å; P354-Y356 HydrophobicContact CG-CE2 3.49Å; P354-Y356 VanDerWaalsContact CG-CE2 3.49Å; P354-Y356 WeakPolarHBondContact CG-OH 3.14Å | ||
| 355 | V | 98.4 | Very high | 94.9 | Very high | 76 Ų | 76 | 61.6 Ų | 61.6 | 46% | 0.461 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 118.6 | 167.4 | -178.9 | 0 | 0 | 0 | 0 | 108.2 | K312 K348 N357 | K312-V355 HydrophobicContact CB-CG2 4.23Å; K348-V355 WeakPolarHBondContact CE-O 3.12Å; K348-V355 PolarHBondContact NZ-O 3.4Å; V355-N357 WeakPolarHBondContact CG1-ND2 3.5Å |
| 356 | Y | 98.5 | Very high | 94 | Very high | 11 Ų | 11 | 69.1 Ų | 69.1 | 4% | 0.043 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | -58.6 | -177.8 | -60.8 | -78.4 | 0 | 0 | 0 | 110.7 | V310 L311 P327 V329 T345 H346 K348 P354 E358 | V310-Y356 HydrophobicContact CG1-CD2 3.63Å; V310-Y356 HydrophobicContact CG1-CE2 4.24Å; V310-Y356 HydrophobicContact CG1-CG 4.08Å; V310-Y356 WeakPolarHBondContact O-CB 3.35Å; L311-Y356 PolarHBondContact O-N 3.1Å; P327-Y356 WeakPolarHBondContact CB-OH 3.25Å; P327-Y356 PolarHBondContact O-OH 3.02Å; V329-Y356 HydrophobicContact CG2-CD2 4.46Å; V329-Y356 HydrophobicContact CG2-CE1 4.47Å; V329-Y356 HydrophobicContact CG2-CE2 3.8Å; T345-Y356 HydrophobicContact CG2-CD1 4.04Å; T345-Y356 HydrophobicContact CG2-CG 4.27Å; T345-Y356 WeakPolarHBondContact OG1-CE1 3.42Å; H346-Y356 WeakPolarHBondContact O-CE1 3.38Å; K348-Y356 HydrophobicContact CB-CE1 4.4Å; K348-Y356 HydrophobicContact CG-CD1 3.85Å; K348-Y356 HydrophobicContact CG-CE1 3.56Å; P354-Y356 HydrophobicContact CB-CD2 4.37Å; P354-Y356 HydrophobicContact CB-CE1 4.24Å; P354-Y356 HydrophobicContact CB-CE2 3.66Å; P354-Y356 HydrophobicContact CG-CD2 4.48Å; P354-Y356 HydrophobicContact CG-CE2 3.49Å; P354-Y356 VanDerWaalsContact CG-CE2 3.49Å; P354-Y356 WeakPolarHBondContact CG-OH 3.14Å; Y356-E358 PolarHBondContact O-N 2.92Å |
| 357 | N | 98.2 | Very high | 92.5 | Very high | 116 Ų | 116 | 67.7 Ų | 67.7 | 62% | 0.62 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51.9 | 42 | -170.1 | -61.5 | -28.3 | 0 | 0 | 0 | 112.6 | V310 L311 V355 | V310-N357 PolarHBondContact O-N 2.88Å; V310-N357 VanDerWaalsContact O-N 3.17Å; L311-N357 PolarHBondContact O-N 3.39Å; L311-N357 PolarHBondContact O-OD1 3.26Å; V355-N357 WeakPolarHBondContact CG1-ND2 3.5Å |
| 358 | E | 98.6 | Very high | 91 | Very high | 29 Ų | 29 | 68 Ų | 68 | 14% | 0.136 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 128.6 | -177.6 | -65.8 | -178.6 | -123.6 | 0 | 0 | 110.2 | A309 V310 T345 H346 Y356 F360 | A309-E358 CarbonylContact C-O 3.4Å; A309-E358 WeakPolarHBondContact CA-O 3.21Å; V310-E358 PolarHBondContact N-O 3.2Å; V310-E358 PolarHBondContact O-N 3.48Å; V310-E358 VanDerWaalsContact O-N 3.07Å; T345-E358 VanDerWaalsContact CA-OE2 3.32Å; T345-E358 WeakPolarHBondContact CA-OE2 3.26Å; T345-E358 WeakPolarHBondContact CB-OE1 3.21Å; T345-E358 HydrophobicContact CG2-CB 4.31Å; H346-E358 WeakPolarHBondContact CB-OE1 3.21Å; H346-E358 IonicContact CE1-OE2 3.07Å; H346-E358 IonicContact CG-OE1 3.87Å; H346-E358 IonicContact CG-OE2 3.18Å; H346-E358 PolarHBondContact N-OE1 2.86Å; H346-E358 PolarHBondContact N-OE2 3.27Å; H346-E358 VanDerWaalsContact N-OE2 3.14Å; H346-E358 VanDerWaalsContact ND1-CD 3.25Å; H346-E358 IonicContact ND1-OE1 3.02Å; H346-E358 PolarHBondContact ND1-OE1 2.86Å; H346-E358 IonicContact ND1-OE2 3.56Å; H346-E358 PolarHBondContact ND1-OE2 2.85Å; Y356-E358 PolarHBondContact O-N 2.92Å; E358-F360 HydrophobicContact CB-CE2 3.76Å; E358-F360 HydrophobicContact CB-CZ 3.87Å |
| 359 | A | 98.1 | Very high | 89.4 | Confident | 65 Ų | 65 | 69.9 Ų | 69.9 | 54% | 0.537 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 136.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A309 | A309-A359 HydrophobicContact CB-CB 3.98Å |
| 360 | F | 98.2 | Very high | 88.3 | Confident | 30 Ų | 30 | 65.4 Ų | 65.4 | 13% | 0.132 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 134.1 | -176.6 | -57.2 | -84.5 | 0 | 0 | 0 | 110.3 | C307 V308 I331 K343 K344 T345 E358 F362 | C307-F360 CarbonylContact C-O 3.53Å; C307-F360 WeakPolarHBondContact CA-O 3.18Å; V308-F360 PolarHBondContact N-O 3.5Å; V308-F360 PolarHBondContact O-N 3.35Å; I331-F360 HydrophobicContact CD1-CB 4.41Å; I331-F360 HydrophobicContact CD1-CD2 3.2Å; I331-F360 HydrophobicContact CD1-CE2 3.61Å; I331-F360 HydrophobicContact CD1-CG 3.97Å; K343-F360 HydrophobicContact CB-CB 4.1Å; K343-F360 HydrophobicContact CB-CD1 3.59Å; K343-F360 HydrophobicContact CB-CE1 4.18Å; K343-F360 HydrophobicContact CB-CG 3.85Å; K343-F360 HydrophobicContact CD-CD1 4.18Å; K343-F360 HydrophobicContact CG-CB 4.05Å; K343-F360 HydrophobicContact CG-CD1 3.99Å; K343-F360 HydrophobicContact CG-CG 4.26Å; K344-F360 VanDerWaalsContact O-CE1 3.31Å; K344-F360 WeakPolarHBondContact O-CE1 3.22Å; K344-F360 VanDerWaalsContact O-CZ 3.23Å; K344-F360 WeakPolarHBondContact O-CZ 3.42Å; T345-F360 HydrophobicContact CG2-CE2 3.88Å; T345-F360 HydrophobicContact CG2-CZ 4.1Å; E358-F360 HydrophobicContact CB-CE2 3.76Å; E358-F360 HydrophobicContact CB-CZ 3.87Å; F360-F362 HydrophobicContact CB-CE2 4.08Å |
| 361 | I | 97.3 | Very high | 87.8 | Confident | 79 Ų | 79 | 59.8 Ų | 59.8 | 41% | 0.405 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 131.8 | 177.7 | -58.1 | 176.2 | 0 | 0 | 0 | 108.8 | K305 I306 C307 | K305-I361 HydrophobicContact CB-CG2 3.85Å; K305-I361 HydrophobicContact CD-CG2 3.51Å; K305-I361 HydrophobicContact CG-CG2 4.22Å; I306-I361 WeakPolarHBondContact O-CA 3.4Å; C307-I361 HydrophobicContact CB-CG1 4.48Å |
| 362 | F | 96.7 | Very high | 87.1 | Confident | 6 Ų | 6 | 59.6 Ų | 59.6 | 3% | 0.026 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 139.5 | 171.4 | -63.3 | -91.6 | 0 | 0 | 0 | 110.4 | K305 I306 V308 I331 L333 A341 K343 F360 | K305-F362 VanDerWaalsContact CA-O 3.26Å; K305-F362 WeakPolarHBondContact CA-O 3.2Å; K305-F362 WeakPolarHBondContact CB-O 3.1Å; I306-F362 HydrophobicContact CG2-CB 3.87Å; I306-F362 HydrophobicContact CG2-CD2 4.5Å; I306-F362 PolarHBondContact N-O 3.23Å; I306-F362 PolarHBondContact O-N 3.37Å; V308-F362 HydrophobicContact CB-CE2 4.35Å; V308-F362 HydrophobicContact CG2-CD2 4.05Å; V308-F362 HydrophobicContact CG2-CE2 4.13Å; I331-F362 HydrophobicContact CB-CE2 4.41Å; I331-F362 HydrophobicContact CB-CZ 4.07Å; I331-F362 HydrophobicContact CG2-CE2 3.71Å; I331-F362 HydrophobicContact CG2-CZ 3.71Å; L333-F362 HydrophobicContact CB-CD1 3.89Å; L333-F362 HydrophobicContact CB-CE1 4.26Å; L333-F362 HydrophobicContact CB-CG 4.33Å; L333-F362 HydrophobicContact CD2-CB 4Å; A341-F362 HydrophobicContact CB-CD1 3.68Å; A341-F362 HydrophobicContact CB-CE1 3.89Å; K343-F362 HydrophobicContact CB-CE1 4.33Å; K343-F362 HydrophobicContact CB-CZ 3.77Å; K343-F362 HydrophobicContact CG-CD1 4.46Å; K343-F362 HydrophobicContact CG-CE1 3.59Å; K343-F362 HydrophobicContact CG-CE2 4.15Å; K343-F362 HydrophobicContact CG-CZ 3.4Å; K343-F362 VanDerWaalsContact CG-CZ 3.4Å; F360-F362 HydrophobicContact CB-CE2 4.08Å |
| 363 | D | 94 | Very high | 86.7 | Confident | 103 Ų | 103 | 61.3 Ų | 61.3 | 55% | 0.551 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 128.5 | 170 | -61.3 | -49.3 | 0 | 0 | 0 | 109.1 | K305 L333 | K305-D363 WeakPolarHBondContact CD-OD1 3.27Å; K305-D363 WeakPolarHBondContact CE-OD1 3.15Å; K305-D363 IonicContact NZ-OD1 2.96Å; K305-D363 PolarHBondContact NZ-OD1 3.28Å; L333-D363 WeakPolarHBondContact CD2-O 3.38Å |
| 364 | L | 91.8 | Very high | 86.4 | Confident | 22 Ų | 22 | 62.1 Ų | 62.1 | 12% | 0.115 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -90 | 146.6 | 174.4 | -60.7 | 176.3 | 0 | 0 | 0 | 109.3 | F299 N304 I306 L333 I375 | F299-L364 HydrophobicContact CD1-CD1 3.94Å; F299-L364 HydrophobicContact CE1-CD1 3.9Å; N304-L364 PolarHBondContact ND2-O 3.49Å; N304-L364 VanDerWaalsContact O-CB 3.31Å; N304-L364 WeakPolarHBondContact O-CB 3.19Å; N304-L364 PolarHBondContact O-N 2.92Å; I306-L364 HydrophobicContact CB-CD1 4.21Å; I306-L364 HydrophobicContact CB-CD2 4.24Å; I306-L364 HydrophobicContact CB-CG 4.34Å; I306-L364 HydrophobicContact CG2-CD2 3.69Å; I306-L364 HydrophobicContact CG2-CG 4.18Å; L333-L364 HydrophobicContact CD1-CD2 4.11Å; L333-L364 HydrophobicContact CD2-CD2 4.2Å; L364-I375 HydrophobicContact CD2-CD1 4.47Å; L364-I375 HydrophobicContact CD2-CG2 4.19Å |
| 365 | P | 84.5 | Confident | 86.2 | Confident | 38 Ų | 38 | 62.3 Ų | 62.3 | 25% | 0.247 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 153.3 | 168.5 | -20.3 | 31.1 | 0 | 0 | 0 | 111.2 | N304 I335 V371 I375 | N304-P365 PolarHBondContact ND2-O 3.2Å; I335-P365 HydrophobicContact CD1-CB 4.45Å; I335-P365 HydrophobicContact CD1-CG 3.27Å; I335-P365 HydrophobicContact CG1-CG 4.19Å; P365-V371 HydrophobicContact CB-CG1 4.28Å; P365-V371 HydrophobicContact CG-CG1 4.3Å; P365-I375 HydrophobicContact CG-CD1 4.43Å |
| 366 | E | 78.3 | Confident | 86.1 | Confident | 167 Ų | 167 | 59.2 Ų | 59.2 | 78% | 0.78 | 35% | 0.345 | S | S | * | . | P | Polyproline II helix | trans | -50 | 138 | 174.7 | -73.8 | -172 | 171.9 | 0 | 0 | 111.3 | S368 | E366-S368 PolarHBondContact O-N 2.94Š|
| 367 | P | 67.5 | Low | 86 | Confident | 102 Ų | 102 | 58.7 Ų | 58.7 | 66% | 0.662 | 34% | 0.343 | S | S | * | . | trans | -72.4 | 70.5 | -175.9 | 31 | -35.6 | 0 | 0 | 0 | 110.8 | ||||
| 368 | S | 64.5 | Low | 86 | Confident | 59 Ų | 59 | 55 Ų | 55 | 41% | 0.413 | 32% | 0.322 | S | S | . | . | trans | -81.3 | 137.7 | 159 | 61.5 | 0 | 0 | 0 | 0 | 108.2 | E366 A370 V371 T372 | E366-S368 PolarHBondContact O-N 2.94Å; S368-A370 PolarHBondContact O-N 2.86Å; S368-V371 PolarHBondContact O-N 3.44Å; S368-V371 WeakPolarHBondContact OG-CG2 3.18Å; S368-T372 PolarHBondContact O-OG1 3.15Å | ||
| 369 | S | 61.7 | Low | 86 | Confident | 110 Ų | 110 | 53.6 Ų | 53.6 | 77% | 0.769 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -58.4 | -25.3 | -174.7 | 72 | 0 | 0 | 0 | 0 | 112.9 | V371 | S369-V371 PolarHBondContact O-N 2.9Å |
| 370 | A | 67.6 | Low | 85.9 | Confident | 61 Ų | 61 | 50.9 Ų | 50.9 | 50% | 0.504 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -76.9 | -16.5 | -177 | 0 | 0 | 0 | 0 | 0 | 115.4 | S368 K374 | S368-A370 PolarHBondContact O-N 2.86Å; A370-K374 VanDerWaalsContact O-CE 3.3Å; A370-K374 WeakPolarHBondContact O-CE 3.11Å; A370-K374 PolarHBondContact O-NZ 3.36Å |
| 371 | V | 75.1 | Confident | 85.8 | Confident | 38 Ų | 38 | 49.4 Ų | 49.4 | 23% | 0.23 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -106.9 | -33.1 | -173.5 | -177.4 | 0 | 0 | 0 | 0 | 112.3 | I335 P365 S368 S369 D373 K374 I375 | I335-V371 HydrophobicContact CG2-CG1 3.86Å; P365-V371 HydrophobicContact CB-CG1 4.28Å; P365-V371 HydrophobicContact CG-CG1 4.3Å; S368-V371 PolarHBondContact O-N 3.44Å; S368-V371 WeakPolarHBondContact OG-CG2 3.18Å; S369-V371 PolarHBondContact O-N 2.9Å; V371-D373 VanDerWaalsContact C-N 3.3Å; V371-D373 PolarHBondContact O-N 3.07Å; V371-K374 WeakPolarHBondContact O-CA 3.33Å; V371-K374 WeakPolarHBondContact O-CB 3.42Å; V371-K374 PolarHBondContact O-N 2.93Å; V371-I375 HydrophobicContact CG1-CG1 4.47Å |
| 372 | T | 76.6 | Confident | 85.5 | Confident | 32 Ų | 32 | 45.7 Ų | 45.7 | 20% | 0.196 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.7 | -39.5 | -170.5 | -53.4 | 0 | 0 | 0 | 0 | 112.8 | S368 K374 I375 | S368-T372 PolarHBondContact O-OG1 3.15Å; T372-K374 PolarHBondContact O-N 2.9Å; T372-I375 PolarHBondContact O-N 3.07Å |
| 373 | D | 84.4 | Confident | 85.1 | Confident | 82 Ų | 82 | 45.5 Ų | 45.5 | 44% | 0.439 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -3.3 | 179.8 | -61.9 | -16.4 | 0 | 0 | 0 | 113.8 | V371 R401 | V371-D373 VanDerWaalsContact C-N 3.3Å; V371-D373 PolarHBondContact O-N 3.07Å; D373-R401 WeakPolarHBondContact O-CD 3.45Å; D373-R401 PolarHBondContact O-NE 3.05Å |
| 374 | K | 87.9 | Confident | 84.9 | Confident | 76 Ų | 76 | 44.5 Ų | 44.5 | 33% | 0.33 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -0.1 | 179.6 | -57.3 | 174.7 | -177 | 157.2 | 0 | 112.2 | I335 N336 A370 V371 T372 | I335-K374 CarbonylContact C-O 3.53Å; I335-K374 WeakPolarHBondContact CA-O 3.5Å; N336-K374 HydrophobicContact CB-CB 4.19Å; N336-K374 HydrophobicContact CB-CD 4.15Å; N336-K374 PolarHBondContact N-O 2.93Å; A370-K374 VanDerWaalsContact O-CE 3.3Å; A370-K374 WeakPolarHBondContact O-CE 3.11Å; A370-K374 PolarHBondContact O-NZ 3.36Å; V371-K374 WeakPolarHBondContact O-CA 3.33Å; V371-K374 WeakPolarHBondContact O-CB 3.42Å; V371-K374 PolarHBondContact O-N 2.93Å; T372-K374 PolarHBondContact O-N 2.9Å |
| 375 | I | 93.2 | Very high | 84.2 | Confident | 7 Ų | 7 | 44.2 Ų | 44.2 | 4% | 0.036 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 131.8 | 178.3 | -58.6 | 174.9 | 0 | 0 | 0 | 109.1 | L333 L334 L364 P365 V371 T372 P400 W411 | L333-I375 HydrophobicContact CD1-CG2 3.71Å; L334-I375 VanDerWaalsContact O-CA 3.31Å; L334-I375 WeakPolarHBondContact O-CA 3.43Å; L364-I375 HydrophobicContact CD2-CD1 4.47Å; L364-I375 HydrophobicContact CD2-CG2 4.19Å; P365-I375 HydrophobicContact CG-CD1 4.43Å; V371-I375 HydrophobicContact CG1-CG1 4.47Å; T372-I375 PolarHBondContact O-N 3.07Å; I375-P400 WeakPolarHBondContact O-CD 3.25Å; I375-W411 HydrophobicContact CB-CH2 4.47Å; I375-W411 HydrophobicContact CB-CZ2 4.23Å; I375-W411 HydrophobicContact CG2-CH2 3.74Å; I375-W411 HydrophobicContact CG2-CZ2 3.98Å |
| 376 | S | 95.6 | Very high | 83.4 | Confident | 10 Ų | 10 | 51.9 Ų | 51.9 | 7% | 0.07 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 157.7 | 169.4 | 61 | 0 | 0 | 0 | 0 | 111.6 | L334 I398 | L334-S376 PolarHBondContact N-O 3.23Å; L334-S376 PolarHBondContact O-N 2.89Å; S376-I398 CarbonylContact C-O 3.54Å; S376-I398 WeakPolarHBondContact CA-O 3.42Å |
| 377 | V | 97.3 | Very high | 82.4 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 121 | 171.4 | 174.1 | 0 | 0 | 0 | 0 | 107.8 | I306 V308 I331 Y332 L333 I379 I398 W411 | I306-V377 HydrophobicContact CD1-CG2 4.36Å; V308-V377 HydrophobicContact CG1-CG1 4.27Å; V308-V377 HydrophobicContact CG2-CG1 4.23Å; V308-V377 HydrophobicContact CG2-CG2 4.19Å; I331-V377 HydrophobicContact CG2-CG1 3.81Å; Y332-V377 CarbonylContact O-C 3.58Å; Y332-V377 VanDerWaalsContact O-CA 3.32Å; Y332-V377 WeakPolarHBondContact O-CA 3.26Å; L333-V377 HydrophobicContact CD1-CG2 4.1Å; V377-I379 HydrophobicContact CG1-CD1 4.3Å; V377-I379 HydrophobicContact CG1-CG1 4Å; V377-I398 PolarHBondContact N-O 3.08Å; V377-I398 PolarHBondContact O-N 2.82Å; V377-W411 HydrophobicContact CG2-CZ3 3.86Å |
| 378 | E | 97.3 | Very high | 82 | Confident | 39 Ų | 39 | 42.4 Ų | 42.4 | 18% | 0.182 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 129.4 | 174 | -171.6 | -171.4 | -125.5 | 0 | 0 | 109.1 | I331 Y332 L334 K339 L380 V396 | I331-E378 CarbonylContact C-O 3.56Å; I331-E378 WeakPolarHBondContact CA-O 3.44Å; Y332-E378 PolarHBondContact N-O 3.11Å; Y332-E378 PolarHBondContact O-N 2.89Å; L334-E378 HydrophobicContact CD1-CB 3.39Å; K339-E378 WeakPolarHBondContact CE-OE2 2.99Å; K339-E378 IonicContact NZ-OE2 2.76Å; K339-E378 PolarHBondContact NZ-OE2 3.34Å; E378-L380 HydrophobicContact CG-CD1 3.63Å; E378-L380 WeakPolarHBondContact OE2-CD1 3.16Å; E378-V396 CarbonylContact C-O 3.57Å; E378-V396 WeakPolarHBondContact CA-O 3.26Å |
| 379 | I | 97.8 | Very high | 82.1 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 120.8 | -178.5 | -62.1 | 175.5 | 0 | 0 | 0 | 107.4 | V295 V308 V329 K330 I331 V377 R395 V396 I398 | V295-I379 HydrophobicContact CB-CD1 4.12Å; V295-I379 HydrophobicContact CG1-CD1 3.5Å; V295-I379 VanDerWaalsContact CG1-CD1 3.5Å; V295-I379 HydrophobicContact CG2-CD1 3.52Å; V308-I379 HydrophobicContact CG1-CD1 4.39Å; V329-I379 HydrophobicContact CG1-CG2 3.35Å; K330-I379 WeakPolarHBondContact O-CA 2.87Å; I331-I379 HydrophobicContact CG2-CG1 4.34Å; V377-I379 HydrophobicContact CG1-CD1 4.3Å; V377-I379 HydrophobicContact CG1-CG1 4Å; I379-R395 CarbonylContact O-C 3.57Å; I379-R395 VanDerWaalsContact O-CA 3.3Å; I379-R395 WeakPolarHBondContact O-CA 3.23Å; I379-V396 HydrophobicContact CB-CB 4.29Å; I379-V396 PolarHBondContact N-O 2.84Å; I379-V396 PolarHBondContact O-N 3.06Å; I379-I398 HydrophobicContact CD1-CD1 4.13Å |
| 380 | L | 96.1 | Very high | 83.1 | Confident | 7 Ų | 7 | 36.5 Ų | 36.5 | 4% | 0.037 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 119.4 | 175.9 | -71.4 | 81.2 | 0 | 0 | 0 | 108.5 | V329 K330 Y332 E378 M382 V392 | V329-L380 CarbonylContact C-O 3.59Å; V329-L380 WeakPolarHBondContact CA-O 3.11Å; K330-L380 HydrophobicContact CB-CB 4.4Å; K330-L380 PolarHBondContact N-O 2.91Å; K330-L380 PolarHBondContact O-N 3.36Å; Y332-L380 HydrophobicContact CD2-CD1 3.68Å; Y332-L380 HydrophobicContact CE2-CD1 3.72Å; E378-L380 HydrophobicContact CG-CD1 3.63Å; E378-L380 WeakPolarHBondContact OE2-CD1 3.16Å; L380-M382 HydrophobicContact CB-CG 4.39Å; L380-M382 HydrophobicContact CB-SD 3.89Å; L380-M382 HydrophobicContact CD2-SD 4.22Å; L380-V392 HydrophobicContact CD2-CG1 4.23Å; L380-V392 HydrophobicContact CD2-CG2 4.19Å |
| 381 | V | 95.5 | Very high | 83.7 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 123.7 | 167.3 | -175 | 0 | 0 | 0 | 0 | 107.2 | V293 L316 V329 M393 G394 L428 | V293-V381 HydrophobicContact CB-CG2 4.38Å; L316-V381 HydrophobicContact CD1-CG1 3.99Å; L316-V381 HydrophobicContact CD2-CG1 4Å; V329-V381 HydrophobicContact CG2-CG2 4.11Å; V381-M393 HydrophobicContact CB-CB 4.46Å; V381-M393 HydrophobicContact CG1-CB 4.32Å; V381-M393 HydrophobicContact CG1-SD 3.9Å; V381-M393 WeakPolarHBondContact O-CB 3.36Å; V381-M393 PolarHBondContact O-N 2.79Å; V381-G394 PolarHBondContact N-O 2.76Å; V381-G394 PolarHBondContact O-N 2.82Å; V381-L428 HydrophobicContact CB-CD1 4.13Å; V381-L428 HydrophobicContact CB-CD2 4.28Å; V381-L428 HydrophobicContact CG2-CD1 3.94Å; V381-L428 HydrophobicContact CG2-CD2 3.62Å; V381-L428 HydrophobicContact CG2-CG 4.46Å |
| 382 | M | 92.5 | Very high | 84.3 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 143.8 | -171.7 | -56.6 | -65.4 | -56.1 | 0 | 0 | 109.3 | I135 P327 Y328 K330 L380 N390 E391 V392 | I135-M382 HydrophobicContact CD1-CE 4.04Å; P327-M382 CarbonylContact C-O 3.42Å; P327-M382 VanDerWaalsContact CA-O 3.22Å; P327-M382 WeakPolarHBondContact CA-O 3.27Å; Y328-M382 HydrophobicContact CD1-CB 3.63Å; Y328-M382 HydrophobicContact CD2-CB 4.32Å; Y328-M382 HydrophobicContact CE1-CB 3.21Å; Y328-M382 HydrophobicContact CE1-CG 4.07Å; Y328-M382 HydrophobicContact CE2-CB 3.95Å; Y328-M382 HydrophobicContact CE2-CG 3.95Å; Y328-M382 HydrophobicContact CG-CB 4.17Å; Y328-M382 PolarHBondContact N-O 2.97Å; Y328-M382 PolarHBondContact O-N 2.82Å; K330-M382 HydrophobicContact CD-CG 4.16Å; K330-M382 HydrophobicContact CD-SD 4.45Å; K330-M382 HydrophobicContact CG-CG 4.15Å; L380-M382 HydrophobicContact CB-CG 4.39Å; L380-M382 HydrophobicContact CB-SD 3.89Å; L380-M382 HydrophobicContact CD2-SD 4.22Å; M382-N390 HydrophobicContact CE-CB 4.15Å; M382-E391 CarbonylContact C-O 3.58Å; M382-E391 VanDerWaalsContact CA-O 3.23Å; M382-E391 WeakPolarHBondContact CA-O 3.48Å; M382-V392 HydrophobicContact CE-CB 4.5Å; M382-V392 HydrophobicContact CE-CG2 3.75Å; M382-V392 HydrophobicContact SD-CB 4.19Å; M382-V392 HydrophobicContact SD-CG1 4.41Å; M382-V392 HydrophobicContact SD-CG2 3.67Å |
| 383 | D | 88.7 | Confident | 84.9 | Confident | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.011 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 121.9 | 166 | -163.2 | 6.7 | 0 | 0 | 0 | 108.7 | D326 D385 N390 E391 M393 | D326-D383 PolarHBondContact N-OD1 2.94Å; D383-D385 PolarHBondContact O-N 2.97Å; D383-N390 VanDerWaalsContact O-CA 3.27Å; D383-N390 WeakPolarHBondContact O-CA 3.16Å; D383-N390 WeakPolarHBondContact O-CB 3.34Å; D383-E391 PolarHBondContact N-O 2.81Å; D383-E391 PolarHBondContact O-N 3.48Å; D383-E391 VanDerWaalsContact O-N 3.15Å; D383-M393 HydrophobicContact CB-CG 3.98Å; D383-M393 HydrophobicContact CB-SD 4.09Å |
| 384 | W | 88.3 | Confident | 85.2 | Confident | 82 Ų | 82 | 28.9 Ų | 28.9 | 31% | 0.311 | 13% | 0.128 | S | C | . | . | trans | -80.5 | 120.8 | 177.4 | -179.3 | 78.6 | 0 | 0 | 0 | 110.1 | D326 Y328 V347 R386 N390 | D326-W384 HydrophobicContact CB-CB 4.14Å; D326-W384 HydrophobicContact CB-CE3 4.28Å; D326-W384 WeakPolarHBondContact CB-O 3.34Å; D326-W384 VanDerWaalsContact O-CB 3.28Å; D326-W384 WeakPolarHBondContact O-CB 3.33Å; D326-W384 PolarHBondContact O-N 2.68Å; Y328-W384 HydrophobicContact CD1-CB 3.78Å; Y328-W384 HydrophobicContact CE1-CB 3.94Å; V347-W384 HydrophobicContact CG1-CB 3.74Å; V347-W384 HydrophobicContact CG1-CD2 4.46Å; V347-W384 HydrophobicContact CG1-CG 4.16Å; V347-W384 HydrophobicContact CG2-CB 4.01Å; V347-W384 HydrophobicContact CG2-CG 4Å; W384-R386 HydrophobicContact CH2-CB 3.54Å; W384-R386 HydrophobicContact CH2-CG 3.88Å; W384-R386 HydrophobicContact CZ2-CB 4.24Å; W384-R386 HydrophobicContact CZ3-CB 3.8Å; W384-N390 WeakPolarHBondContact CA-OD1 3.15Å | ||
| 385 | D | 77.8 | Confident | 85.5 | Confident | 16 Ų | 16 | 29.6 Ų | 29.6 | 9% | 0.086 | 13% | 0.128 | C | C | . | . | trans | -112.4 | 127.7 | 178 | -99.1 | -45.5 | 0 | 0 | 0 | 110.7 | R280 D383 I387 T388 N390 | R280-D385 IonicContact NH1-OD1 3.77Å; R280-D385 IonicContact NH1-OD2 3.84Å; R280-D385 PolarHBondContact NH1-OD2 2.92Å; D383-D385 PolarHBondContact O-N 2.97Å; D385-I387 VanDerWaalsContact C-N 3.26Å; D385-I387 PolarHBondContact O-N 3.04Å; D385-T388 VanDerWaalsContact CB-O 3.28Å; D385-T388 WeakPolarHBondContact CB-O 3.35Å; D385-T388 WeakPolarHBondContact CB-OG1 3.48Å; D385-T388 PolarHBondContact OD1-OG1 2.81Å; D385-T388 PolarHBondContact OD2-OG1 3.32Å; D385-N390 PolarHBondContact N-OD1 2.68Å | ||
| 386 | R | 67.3 | Low | 85.6 | Confident | 200 Ų | 200 | 29.6 Ų | 29.6 | 76% | 0.755 | 13% | 0.129 | S | C | * | . | S | Bend | trans | -70 | -27.2 | 177.3 | -174.2 | 170.3 | 176.4 | -179.2 | 1.1 | 112.8 | W384 | W384-R386 HydrophobicContact CH2-CB 3.54Å; W384-R386 HydrophobicContact CH2-CG 3.88Å; W384-R386 HydrophobicContact CZ2-CB 4.24Å; W384-R386 HydrophobicContact CZ3-CB 3.8Å |
| 387 | I | 56.9 | Low | 85.7 | Confident | 53 Ų | 53 | 32.2 Ų | 32.2 | 27% | 0.272 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -113.9 | -47.3 | -165.8 | -66 | 170.9 | 0 | 0 | 0 | 110.6 | K193 K203 D385 | K193-I387 HydrophobicContact CD-CD1 4.42Å; K193-I387 HydrophobicContact CD-CG2 3.57Å; K203-I387 HydrophobicContact CD-CD1 3.79Å; D385-I387 VanDerWaalsContact C-N 3.26Å; D385-I387 PolarHBondContact O-N 3.04Å |
| 388 | T | 59.3 | Low | 85.7 | Confident | 16 Ų | 16 | 32.2 Ų | 32.2 | 10% | 0.098 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -96.9 | 170.2 | -175.6 | 39.6 | 0 | 0 | 0 | 0 | 108.7 | I251 R280 D385 | I251-T388 HydrophobicContact CD1-CG2 3.19Å; I251-T388 HydrophobicContact CG1-CG2 3.91Å; R280-T388 PolarHBondContact NH1-OG1 2.85Å; R280-T388 VanDerWaalsContact NH1-OG1 3.09Å; D385-T388 VanDerWaalsContact CB-O 3.28Å; D385-T388 WeakPolarHBondContact CB-O 3.35Å; D385-T388 WeakPolarHBondContact CB-OG1 3.48Å; D385-T388 PolarHBondContact OD1-OG1 2.81Å; D385-T388 PolarHBondContact OD2-OG1 3.32Å |
| 389 | K | 67.6 | Low | 85.6 | Confident | 30 Ų | 30 | 30.3 Ų | 30.3 | 13% | 0.13 | 13% | 0.131 | C | C | . | . | P | Polyproline II helix | trans | -64.1 | 143.4 | 172.6 | -177.6 | 175.3 | 171 | 178.9 | 0 | 109.4 | E134 E138 E391 | E134-K389 VanDerWaalsContact CD-NZ 3.3Å; E134-K389 WeakPolarHBondContact OE2-CE 3.49Å; E134-K389 IonicContact OE2-NZ 2.76Å; E134-K389 PolarHBondContact OE2-NZ 3Å; E138-K389 IonicContact OE1-NZ 3.33Å; E138-K389 PolarHBondContact OE1-NZ 2.93Å; E138-K389 IonicContact OE2-NZ 2.8Å; E138-K389 PolarHBondContact OE2-NZ 3.18Å; K389-E391 WeakPolarHBondContact O-CG 3.34Å; K389-E391 PolarHBondContact O-N 2.99Å |
| 390 | N | 83.1 | Confident | 85.4 | Confident | 16 Ų | 16 | 31.8 Ų | 31.8 | 9% | 0.086 | 14% | 0.14 | C | C | . | . | P | Polyproline II helix | trans | -61.6 | 135.3 | 173.7 | -58.2 | -47.4 | 0 | 0 | 0 | 110 | E131 Y328 M382 D383 W384 D385 | E131-N390 PolarHBondContact OE1-ND2 3.07Å; Y328-N390 HydrophobicContact CE1-CB 4.31Å; Y328-N390 PolarHBondContact OH-ND2 3.02Å; M382-N390 HydrophobicContact CE-CB 4.15Å; D383-N390 VanDerWaalsContact O-CA 3.27Å; D383-N390 WeakPolarHBondContact O-CA 3.16Å; D383-N390 WeakPolarHBondContact O-CB 3.34Å; W384-N390 WeakPolarHBondContact CA-OD1 3.15Å; D385-N390 PolarHBondContact N-OD1 2.68Å |
| 391 | E | 80.1 | Confident | 85.2 | Confident | 28 Ų | 28 | 39.2 Ų | 39.2 | 13% | 0.131 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 140.9 | -173.3 | -61 | -170.9 | 126.9 | 0 | 0 | 111.2 | R280 F284 M382 D383 K389 M393 | R280-E391 WeakPolarHBondContact CD-OE1 3.13Å; R280-E391 VanDerWaalsContact CD-OE2 3.31Å; R280-E391 WeakPolarHBondContact CD-OE2 3.22Å; R280-E391 VanDerWaalsContact CG-OE1 3.26Å; R280-E391 WeakPolarHBondContact CG-OE1 3.46Å; R280-E391 IonicContact NH1-OE2 2.82Å; F284-E391 HydrophobicContact CE2-CB 3.91Å; F284-E391 HydrophobicContact CE2-CG 4.3Å; F284-E391 WeakPolarHBondContact CE2-OE2 3.44Å; F284-E391 HydrophobicContact CZ-CB 3.78Å; F284-E391 WeakPolarHBondContact CZ-OE2 3.41Å; M382-E391 CarbonylContact C-O 3.58Å; M382-E391 VanDerWaalsContact CA-O 3.23Å; M382-E391 WeakPolarHBondContact CA-O 3.48Å; D383-E391 PolarHBondContact N-O 2.81Å; D383-E391 PolarHBondContact O-N 3.48Å; D383-E391 VanDerWaalsContact O-N 3.15Å; K389-E391 WeakPolarHBondContact O-CG 3.34Å; K389-E391 PolarHBondContact O-N 2.99Å; E391-M393 PolarHBondContact O-N 2.87Å |
| 392 | V | 87.2 | Confident | 85.1 | Confident | 24 Ų | 24 | 39.3 Ų | 39.3 | 15% | 0.145 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 111.8 | 174.4 | -176.2 | 0 | 0 | 0 | 0 | 108.1 | I135 L380 M382 | I135-V392 HydrophobicContact CG2-CG2 3.74Å; L380-V392 HydrophobicContact CD2-CG1 4.23Å; L380-V392 HydrophobicContact CD2-CG2 4.19Å; M382-V392 HydrophobicContact CE-CB 4.5Å; M382-V392 HydrophobicContact CE-CG2 3.75Å; M382-V392 HydrophobicContact SD-CB 4.19Å; M382-V392 HydrophobicContact SD-CG1 4.41Å; M382-V392 HydrophobicContact SD-CG2 3.67Å |
| 393 | M | 88.3 | Confident | 85 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | -40.4 | 175 | -54 | 179.1 | 86.9 | 0 | 0 | 110.3 | F284 R290 L316 P317 A325 P327 V381 D383 E391 | F284-M393 HydrophobicContact CE1-CB 4.5Å; F284-M393 HydrophobicContact CE1-CG 4.32Å; R290-M393 VanDerWaalsContact CD-O 3.23Å; R290-M393 WeakPolarHBondContact CD-O 3.29Å; R290-M393 PolarHBondContact NH1-O 2.83Å; L316-M393 HydrophobicContact CB-CE 3.7Å; L316-M393 HydrophobicContact CD1-CE 4.32Å; L316-M393 HydrophobicContact CD1-SD 4.21Å; P317-M393 HydrophobicContact CG-CB 4.4Å; P317-M393 HydrophobicContact CG-CE 4.13Å; P317-M393 WeakPolarHBondContact O-CE 3.39Å; A325-M393 HydrophobicContact CB-CE 3.8Å; P327-M393 HydrophobicContact CB-SD 4.09Å; V381-M393 HydrophobicContact CB-CB 4.46Å; V381-M393 HydrophobicContact CG1-CB 4.32Å; V381-M393 HydrophobicContact CG1-SD 3.9Å; V381-M393 WeakPolarHBondContact O-CB 3.36Å; V381-M393 PolarHBondContact O-N 2.79Å; D383-M393 HydrophobicContact CB-CG 3.98Å; D383-M393 HydrophobicContact CB-SD 4.09Å; E391-M393 PolarHBondContact O-N 2.87Å |
| 394 | G | 91.2 | Very high | 85.3 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177 | 173.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | V381 K429 | V381-G394 PolarHBondContact N-O 2.76Å; V381-G394 PolarHBondContact O-N 2.82Å; G394-K429 CarbonylContact C-O 3.59Å; G394-K429 WeakPolarHBondContact CA-O 3.43Å |
| 395 | R | 93.6 | Very high | 85.7 | Confident | 92 Ų | 92 | 44 Ų | 44 | 35% | 0.347 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 151.3 | -172.3 | 74.5 | -171 | -171.7 | -123.8 | 2.3 | 113.2 | M139 I379 K429 P430 | M139-R395 VanDerWaalsContact CE-NH1 3.33Å; I379-R395 CarbonylContact O-C 3.57Å; I379-R395 VanDerWaalsContact O-CA 3.3Å; I379-R395 WeakPolarHBondContact O-CA 3.23Å; R395-K429 HydrophobicContact CG-CB 4.28Å; R395-K429 PolarHBondContact N-O 2.9Å; R395-K429 PolarHBondContact O-N 2.94Å; R395-P430 WeakPolarHBondContact CD-O 3.26Å; R395-P430 VanDerWaalsContact CG-O 3.27Å; R395-P430 WeakPolarHBondContact CG-O 3.41Å; R395-P430 PolarHBondContact NE-O 2.81Å; R395-P430 PolarHBondContact NH1-O 3.48Å |
| 396 | V | 96.1 | Very high | 86.6 | Confident | 7 Ų | 7 | 46.6 Ų | 46.6 | 4% | 0.042 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 137.7 | 168.7 | -176.4 | 0 | 0 | 0 | 0 | 108.5 | V293 E378 I379 I398 H426 L428 | V293-V396 HydrophobicContact CG1-CG2 3.65Å; E378-V396 CarbonylContact C-O 3.57Å; E378-V396 WeakPolarHBondContact CA-O 3.26Å; I379-V396 HydrophobicContact CB-CB 4.29Å; I379-V396 PolarHBondContact N-O 2.84Å; I379-V396 PolarHBondContact O-N 3.06Å; V396-I398 HydrophobicContact CG1-CD1 4.18Å; V396-I398 HydrophobicContact CG1-CG1 3.81Å; V396-H426 HydrophobicContact CB-CB 4.24Å; V396-H426 HydrophobicContact CG1-CB 3.49Å; V396-H426 VanDerWaalsContact CG1-CB 3.49Å; V396-H426 HydrophobicContact CG2-CB 3.66Å; V396-L428 HydrophobicContact CG2-CD2 3.76Å |
| 397 | E | 96.7 | Very high | 88 | Confident | 64 Ų | 64 | 37 Ų | 37 | 30% | 0.299 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 130.5 | 170.8 | -175.4 | -174.3 | -162.7 | 0 | 0 | 108.6 | A402 S403 | E397-A402 HydrophobicContact CG-CB 4.17Å; E397-A402 WeakPolarHBondContact O-CB 3.48Å; E397-S403 PolarHBondContact OE2-N 3.36Å |
| 398 | I | 97.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 126.1 | 179.4 | -51.9 | 171.4 | 0 | 0 | 0 | 107.9 | V295 L297 S376 V377 I379 V396 G407 H410 W411 | V295-I398 HydrophobicContact CB-CD1 4.37Å; V295-I398 HydrophobicContact CG1-CD1 4.01Å; L297-I398 HydrophobicContact CD1-CG2 3.6Å; S376-I398 CarbonylContact C-O 3.54Å; S376-I398 WeakPolarHBondContact CA-O 3.42Å; V377-I398 PolarHBondContact N-O 3.08Å; V377-I398 PolarHBondContact O-N 2.82Å; I379-I398 HydrophobicContact CD1-CD1 4.13Å; V396-I398 HydrophobicContact CG1-CD1 4.18Å; V396-I398 HydrophobicContact CG1-CG1 3.81Å; I398-G407 VanDerWaalsContact CG2-O 3.28Å; I398-G407 WeakPolarHBondContact CG2-O 3.1Å; I398-H410 HydrophobicContact CG2-CB 4.28Å; I398-W411 HydrophobicContact CG2-CB 4.12Å; I398-W411 HydrophobicContact CG2-CE3 4.23Å |
| 399 | G | 96 | Very high | 91.8 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | S | Bend | trans | 162.8 | 171.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R401 A402 G407 | G399-R401 PolarHBondContact O-N 2.9Å; G399-R401 VanDerWaalsContact O-N 3.09Å; G399-A402 WeakPolarHBondContact O-CB 3.35Å; G399-A402 PolarHBondContact O-N 2.94Å; G399-A402 VanDerWaalsContact O-N 3.07Å; G399-G407 PolarHBondContact N-O 2.68Å |
| 400 | P | 93.3 | Very high | 93.2 | Very high | 31 Ų | 31 | 38.2 Ų | 38.2 | 20% | 0.201 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -25.1 | -177.6 | -22.7 | 35 | 0 | 0 | 0 | 113.7 | I375 | I375-P400 WeakPolarHBondContact O-CD 3.25Š|
| 401 | R | 91.8 | Very high | 93.8 | Very high | 163 Ų | 163 | 37.7 Ų | 37.7 | 62% | 0.615 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -116.4 | 19.6 | -179.7 | -62.2 | -178.6 | 179.4 | -167.3 | -4 | 113 | D373 G399 | D373-R401 WeakPolarHBondContact O-CD 3.45Å; D373-R401 PolarHBondContact O-NE 3.05Å; G399-R401 PolarHBondContact O-N 2.9Å; G399-R401 VanDerWaalsContact O-N 3.09Å |
| 402 | A | 93.5 | Very high | 94.6 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.008 | 22% | 0.222 | C | C | . | . | trans | -58.2 | 143.1 | 180 | 0 | 0 | 0 | 0 | 0 | 111.5 | E397 G399 S404 Q408 | E397-A402 HydrophobicContact CG-CB 4.17Å; E397-A402 WeakPolarHBondContact O-CB 3.48Å; G399-A402 WeakPolarHBondContact O-CB 3.35Å; G399-A402 PolarHBondContact O-N 2.94Å; G399-A402 VanDerWaalsContact O-N 3.07Å; A402-S404 PolarHBondContact O-N 3.22Å; A402-S404 VanDerWaalsContact O-N 3.17Å; A402-Q408 HydrophobicContact CB-CG 4.15Å; A402-Q408 PolarHBondContact O-NE2 3.17Å | ||
| 403 | S | 91.4 | Very high | 95 | Very high | 79 Ų | 79 | 44.2 Ų | 44.2 | 55% | 0.552 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -65.5 | -15 | 179.3 | 64.3 | 0 | 0 | 0 | 0 | 115.3 | E397 | E397-S403 PolarHBondContact OE2-N 3.36Š|
| 404 | S | 93.8 | Very high | 95.4 | Very high | 25 Ų | 25 | 44.2 Ų | 44.2 | 18% | 0.175 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -107.6 | 139.2 | 176.1 | 58.9 | 0 | 0 | 0 | 0 | 111 | A402 L406 G407 Q408 | A402-S404 PolarHBondContact O-N 3.22Å; A402-S404 VanDerWaalsContact O-N 3.17Å; S404-L406 PolarHBondContact O-N 2.69Å; S404-G407 PolarHBondContact O-N 3.01Å; S404-G407 PolarHBondContact OG-N 2.99Å; S404-G407 VanDerWaalsContact OG-N 3.1Å; S404-Q408 PolarHBondContact O-N 3.02Å; S404-Q408 VanDerWaalsContact O-N 3.13Å |
| 405 | A | 96.2 | Very high | 95.5 | Very high | 79 Ų | 79 | 48.4 Ų | 48.4 | 65% | 0.653 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -56.7 | -39.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | G407 Q408 S409 | A405-G407 VanDerWaalsContact C-N 3.32Å; A405-G407 PolarHBondContact O-N 2.77Å; A405-Q408 PolarHBondContact O-N 3.02Å; A405-S409 PolarHBondContact O-N 2.95Å; A405-S409 PolarHBondContact O-OG 2.93Å |
| 406 | L | 97.3 | Very high | 95.5 | Very high | 70 Ų | 70 | 48 Ų | 48 | 37% | 0.366 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65 | -33.7 | 176 | -172.8 | 61.5 | 0 | 0 | 0 | 113 | S404 S409 H410 W425 | S404-L406 PolarHBondContact O-N 2.69Å; L406-S409 WeakPolarHBondContact CA-OG 3.47Å; L406-S409 PolarHBondContact O-OG 3.22Å; L406-H410 WeakPolarHBondContact O-CB 3.38Å; L406-H410 PolarHBondContact O-N 3.1Å; L406-W425 WeakPolarHBondContact CD2-O 3.32Å |
| 407 | G | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.4 | -36.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I398 G399 S404 A405 W411 | I398-G407 VanDerWaalsContact CG2-O 3.28Å; I398-G407 WeakPolarHBondContact CG2-O 3.1Å; G399-G407 PolarHBondContact N-O 2.68Å; S404-G407 PolarHBondContact O-N 3.01Å; S404-G407 PolarHBondContact OG-N 2.99Å; S404-G407 VanDerWaalsContact OG-N 3.1Å; A405-G407 VanDerWaalsContact C-N 3.32Å; A405-G407 PolarHBondContact O-N 2.77Å; G407-W411 PolarHBondContact O-N 2.89Å |
| 408 | Q | 97 | Very high | 94.9 | Very high | 73 Ų | 73 | 49.5 Ų | 49.5 | 34% | 0.341 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -69.2 | -50.9 | 174.1 | -63.4 | 174.5 | 23.5 | 0 | 0 | 110.8 | A402 S404 A405 H410 W411 E412 | A402-Q408 HydrophobicContact CB-CG 4.15Å; A402-Q408 PolarHBondContact O-NE2 3.17Å; S404-Q408 PolarHBondContact O-N 3.02Å; S404-Q408 VanDerWaalsContact O-N 3.13Å; A405-Q408 PolarHBondContact O-N 3.02Å; Q408-H410 PolarHBondContact O-N 3.36Å; Q408-W411 WeakPolarHBondContact O-CB 3.36Å; Q408-W411 PolarHBondContact O-N 3.29Å; Q408-W411 VanDerWaalsContact O-N 3.15Å; Q408-E412 WeakPolarHBondContact O-CG 3.45Å; Q408-E412 PolarHBondContact O-N 3.2Å |
| 409 | S | 97.5 | Very high | 94.5 | Very high | 50 Ų | 50 | 56.4 Ų | 56.4 | 35% | 0.35 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.5 | -39.5 | -177.8 | 71 | 0 | 0 | 0 | 0 | 112.6 | A405 L406 W411 E412 E413 | A405-S409 PolarHBondContact O-N 2.95Å; A405-S409 PolarHBondContact O-OG 2.93Å; L406-S409 WeakPolarHBondContact CA-OG 3.47Å; L406-S409 PolarHBondContact O-OG 3.22Å; S409-W411 VanDerWaalsContact C-N 3.32Å; S409-W411 PolarHBondContact O-N 3.49Å; S409-E412 PolarHBondContact O-N 3.29Å; S409-E413 VanDerWaalsContact O-CB 3.31Å; S409-E413 WeakPolarHBondContact O-CB 3.27Å; S409-E413 PolarHBondContact O-N 3.29Å |
| 410 | H | 98.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.2 | -40.9 | 176 | -175.9 | -167.9 | 0 | 0 | 0 | 111.5 | V295 I398 L406 Q408 A414 I422 H424 H426 | V295-H410 PolarHBondContact O-CE1 2.92Å; V295-H410 VanDerWaalsContact O-CE1 3.23Å; I398-H410 HydrophobicContact CG2-CB 4.28Å; L406-H410 WeakPolarHBondContact O-CB 3.38Å; L406-H410 PolarHBondContact O-N 3.1Å; Q408-H410 PolarHBondContact O-N 3.36Å; H410-A414 VanDerWaalsContact O-CB 3.32Å; H410-A414 WeakPolarHBondContact O-CB 3.33Å; H410-A414 PolarHBondContact O-N 3.3Å; H410-A414 VanDerWaalsContact O-N 3.07Å; H410-I422 PolarHBondContact NE2-O 3.19Å; H410-H424 AromaticContact CD2-CD2 3.43Å; H410-H424 PolarHBondContact CD2-CD2 2.92Å; H410-H424 VanDerWaalsContact CD2-CD2 3.43Å; H410-H424 AromaticContact CG-CD2 3.7Å; H410-H424 AromaticContact NE2-CD2 3.96Å; H410-H426 AromaticContact CE1-NE2 3.9Å; H410-H426 AromaticContact CG-NE2 3.87Å; H410-H426 AromaticContact ND1-CE1 3.83Å; H410-H426 AromaticContact ND1-NE2 3.04Å; H410-H426 PolarHBondContact ND1-NE2 3.01Å |
| 411 | W | 96.5 | Very high | 94.5 | Very high | 5 Ų | 5 | 66.8 Ų | 66.8 | 2% | 0.019 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65 | -46.3 | 176.3 | -174.3 | -93.2 | 0 | 0 | 0 | 111.9 | L297 F299 I306 I375 V377 I398 G407 Q408 S409 A414 K415 | L297-W411 HydrophobicContact CD1-CE3 3.94Å; F299-W411 HydrophobicContact CE1-CH2 4.05Å; F299-W411 AromaticContact CE1-CZ2 3.92Å; F299-W411 HydrophobicContact CE1-CZ2 3.92Å; F299-W411 HydrophobicContact CE2-CD2 4.43Å; F299-W411 AromaticContact CZ-CD2 3.86Å; F299-W411 HydrophobicContact CZ-CD2 3.86Å; F299-W411 AromaticContact CZ-CE2 3.6Å; F299-W411 AromaticContact CZ-CE3 3.97Å; F299-W411 HydrophobicContact CZ-CE3 3.97Å; F299-W411 AromaticContact CZ-CH2 3.66Å; F299-W411 HydrophobicContact CZ-CH2 3.66Å; F299-W411 AromaticContact CZ-CZ2 3.53Å; F299-W411 HydrophobicContact CZ-CZ2 3.53Å; F299-W411 AromaticContact CZ-CZ3 3.87Å; F299-W411 HydrophobicContact CZ-CZ3 3.87Å; I306-W411 HydrophobicContact CD1-CE3 4.32Å; I306-W411 HydrophobicContact CD1-CH2 3.84Å; I306-W411 HydrophobicContact CD1-CZ3 3.49Å; I306-W411 VanDerWaalsContact CD1-CZ3 3.49Å; I375-W411 HydrophobicContact CB-CH2 4.47Å; I375-W411 HydrophobicContact CB-CZ2 4.23Å; I375-W411 HydrophobicContact CG2-CH2 3.74Å; I375-W411 HydrophobicContact CG2-CZ2 3.98Å; V377-W411 HydrophobicContact CG2-CZ3 3.86Å; I398-W411 HydrophobicContact CG2-CB 4.12Å; I398-W411 HydrophobicContact CG2-CE3 4.23Å; G407-W411 PolarHBondContact O-N 2.89Å; Q408-W411 WeakPolarHBondContact O-CB 3.36Å; Q408-W411 PolarHBondContact O-N 3.29Å; Q408-W411 VanDerWaalsContact O-N 3.15Å; S409-W411 VanDerWaalsContact C-N 3.32Å; S409-W411 PolarHBondContact O-N 3.49Å; W411-A414 PolarHBondContact O-N 2.67Å; W411-K415 VanDerWaalsContact O-CB 3.27Å; W411-K415 WeakPolarHBondContact O-CB 3.41Å; W411-K415 PolarHBondContact O-N 3.34Å |
| 412 | E | 95.5 | Very high | 94.8 | Very high | 119 Ų | 119 | 59.3 Ų | 59.3 | 56% | 0.556 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -64 | -43.3 | 178.8 | -71.6 | 178.4 | 175.3 | 0 | 0 | 112.5 | Q408 S409 K415 S416 | Q408-E412 WeakPolarHBondContact O-CG 3.45Å; Q408-E412 PolarHBondContact O-N 3.2Å; S409-E412 PolarHBondContact O-N 3.29Å; E412-K415 PolarHBondContact O-N 3.46Å; E412-S416 WeakPolarHBondContact O-CB 3.44Å; E412-S416 PolarHBondContact O-N 2.87Å; E412-S416 PolarHBondContact O-OG 3.2Å |
| 413 | E | 97 | Very high | 95 | Very high | 70 Ų | 70 | 61.6 Ų | 61.6 | 33% | 0.327 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.1 | -45 | 177.1 | -170.7 | -175.6 | 171.7 | 0 | 0 | 111.2 | S409 K415 S416 N417 I422 H424 | S409-E413 VanDerWaalsContact O-CB 3.31Å; S409-E413 WeakPolarHBondContact O-CB 3.27Å; S409-E413 PolarHBondContact O-N 3.29Å; E413-K415 PolarHBondContact O-N 2.92Å; E413-S416 WeakPolarHBondContact CA-OG 3.45Å; E413-S416 PolarHBondContact O-N 3.02Å; E413-S416 PolarHBondContact O-OG 3.29Å; E413-N417 PolarHBondContact O-N 3.37Å; E413-N417 VanDerWaalsContact O-N 3.12Å; E413-N417 PolarHBondContact O-ND2 3.08Å; E413-I422 HydrophobicContact CB-CG2 4.26Å; E413-I422 HydrophobicContact CG-CD1 4.24Å; E413-I422 HydrophobicContact CG-CG1 4.22Å; E413-I422 HydrophobicContact CG-CG2 3.94Å; E413-H424 IonicContact OE2-CD2 3.67Å; E413-H424 IonicContact OE2-CE1 2.65Å; E413-H424 IonicContact OE2-NE2 3.32Å; E413-H424 PolarHBondContact OE2-NE2 2.7Å |
| 414 | A | 95.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.9 | -38.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L297 F299 H410 W411 N417 I422 | L297-A414 HydrophobicContact CB-CB 3.69Å; L297-A414 HydrophobicContact CD1-CB 4.43Å; F299-A414 VanDerWaalsContact CD2-C 3.48Å; F299-A414 HydrophobicContact CD2-CB 3.9Å; F299-A414 WeakPolarHBondContact CD2-O 3.2Å; F299-A414 HydrophobicContact CE2-CB 3.83Å; H410-A414 VanDerWaalsContact O-CB 3.32Å; H410-A414 WeakPolarHBondContact O-CB 3.33Å; H410-A414 PolarHBondContact O-N 3.3Å; H410-A414 VanDerWaalsContact O-N 3.07Å; W411-A414 PolarHBondContact O-N 2.67Å; A414-N417 CarbonylContact O-C 3.58Å; A414-I422 HydrophobicContact CB-CB 4.15Å; A414-I422 HydrophobicContact CB-CG1 4.13Å |
| 415 | K | 92.5 | Very high | 95.6 | Very high | 88 Ų | 88 | 62.8 Ų | 62.8 | 38% | 0.383 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -69.5 | -38.4 | 178.3 | -174.5 | -179.6 | 177.2 | -174.2 | 0 | 112.2 | F299 W411 E412 E413 N417 | F299-K415 HydrophobicContact CD2-CB 4.23Å; F299-K415 HydrophobicContact CE2-CB 4.04Å; F299-K415 HydrophobicContact CZ-CB 4.45Å; W411-K415 VanDerWaalsContact O-CB 3.27Å; W411-K415 WeakPolarHBondContact O-CB 3.41Å; W411-K415 PolarHBondContact O-N 3.34Å; E412-K415 PolarHBondContact O-N 3.46Å; E413-K415 PolarHBondContact O-N 2.92Å; K415-N417 VanDerWaalsContact C-N 3.33Å |
| 416 | S | 94 | Very high | 95.6 | Very high | 83 Ų | 83 | 59.2 Ų | 59.2 | 58% | 0.58 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -74.7 | -20.8 | 178.8 | 54.4 | 0 | 0 | 0 | 0 | 113.5 | E412 E413 P418 | E412-S416 WeakPolarHBondContact O-CB 3.44Å; E412-S416 PolarHBondContact O-N 2.87Å; E412-S416 PolarHBondContact O-OG 3.2Å; E413-S416 WeakPolarHBondContact CA-OG 3.45Å; E413-S416 PolarHBondContact O-N 3.02Å; E413-S416 PolarHBondContact O-OG 3.29Å; S416-P418 VanDerWaalsContact C-CD 3.44Å; S416-P418 VanDerWaalsContact O-CD 3.25Å; S416-P418 WeakPolarHBondContact O-CD 3.41Å |
| 417 | N | 94 | Very high | 95.5 | Very high | 60 Ų | 60 | 60.7 Ų | 60.7 | 32% | 0.321 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -115.7 | 70.1 | 176.6 | -64.2 | -90.5 | 0 | 0 | 0 | 110.9 | E413 A414 K415 K420 I422 | E413-N417 PolarHBondContact O-N 3.37Å; E413-N417 VanDerWaalsContact O-N 3.12Å; E413-N417 PolarHBondContact O-ND2 3.08Å; A414-N417 CarbonylContact O-C 3.58Å; K415-N417 VanDerWaalsContact C-N 3.33Å; N417-K420 HydrophobicContact CB-CB 3.95Å; N417-K420 HydrophobicContact CB-CD 4.19Å; N417-K420 WeakPolarHBondContact O-CB 3.34Å; N417-K420 PolarHBondContact O-N 3.45Å; N417-I422 HydrophobicContact CB-CD1 4.37Å |
| 418 | P | 86.3 | Confident | 95.3 | Very high | 44 Ų | 44 | 61.2 Ų | 61.2 | 29% | 0.286 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 147.6 | 179.7 | 26.6 | -34.6 | 0 | 0 | 0 | 110.7 | Q301 S416 K420 | Q301-P418 HydrophobicContact CG-CB 4Å; S416-P418 VanDerWaalsContact C-CD 3.44Å; S416-P418 VanDerWaalsContact O-CD 3.25Å; S416-P418 WeakPolarHBondContact O-CD 3.41Å; P418-K420 PolarHBondContact O-N 3.13Å |
| 419 | W | 88.6 | Confident | 94.9 | Very high | 145 Ų | 145 | 61.6 Ų | 61.6 | 55% | 0.549 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | -17.2 | -175.5 | -44.7 | 94.7 | 0 | 0 | 0 | 116.4 | C298 F299 R300 A302 | C298-W419 VanDerWaalsContact SG-C 3.52Å; C298-W419 PolarHBondContact SG-O 3.15Å; F299-W419 PolarHBondContact O-N 3.5Å; R300-W419 HydrophobicContact CB-CZ3 4.47Å; R300-W419 HydrophobicContact CG-CE3 4.48Å; R300-W419 HydrophobicContact CG-CZ3 4.33Å; A302-W419 HydrophobicContact CB-CH2 4.04Å; A302-W419 HydrophobicContact CB-CZ2 3.86Å |
| 420 | K | 94.5 | Very high | 94.1 | Very high | 114 Ų | 114 | 63.5 Ų | 63.5 | 50% | 0.496 | 31% | 0.314 | S | S | . | . | trans | -80 | 135.3 | 172.6 | -166.1 | 175 | 170.5 | -169 | 0 | 109.6 | N417 P418 I422 | N417-K420 HydrophobicContact CB-CB 3.95Å; N417-K420 HydrophobicContact CB-CD 4.19Å; N417-K420 WeakPolarHBondContact O-CB 3.34Å; N417-K420 PolarHBondContact O-N 3.45Å; P418-K420 PolarHBondContact O-N 3.13Å; K420-I422 HydrophobicContact CB-CD1 4.26Å; K420-I422 HydrophobicContact CD-CD1 3.65Å; K420-I422 HydrophobicContact CG-CD1 3.78Å; K420-I422 PolarHBondContact O-N 2.88Å | ||
| 421 | Q | 95.4 | Very high | 93.9 | Very high | 135 Ų | 135 | 66.7 Ų | 66.7 | 63% | 0.631 | 33% | 0.33 | S | S | * | . | trans | -81.6 | 112.4 | 167.6 | -72.8 | -178.8 | 39.5 | 0 | 0 | 108 | C298 | C298-Q421 HydrophobicContact CB-CG 3.93Š| ||
| 422 | I | 98.1 | Very high | 93.7 | Very high | 6 Ų | 6 | 69.9 Ų | 69.9 | 3% | 0.031 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 132.3 | 173.6 | -56.2 | -55.7 | 0 | 0 | 0 | 107 | S296 L297 H410 E413 A414 N417 K420 | S296-I422 CarbonylContact C-O 3.34Å; S296-I422 WeakPolarHBondContact CA-O 3.38Å; S296-I422 WeakPolarHBondContact CB-O 3.04Å; S296-I422 PolarHBondContact OG-O 3.17Å; L297-I422 PolarHBondContact N-O 3.39Å; L297-I422 PolarHBondContact O-N 3.27Å; H410-I422 PolarHBondContact NE2-O 3.19Å; E413-I422 HydrophobicContact CB-CG2 4.26Å; E413-I422 HydrophobicContact CG-CD1 4.24Å; E413-I422 HydrophobicContact CG-CG1 4.22Å; E413-I422 HydrophobicContact CG-CG2 3.94Å; A414-I422 HydrophobicContact CB-CB 4.15Å; A414-I422 HydrophobicContact CB-CG1 4.13Å; N417-I422 HydrophobicContact CB-CD1 4.37Å; K420-I422 HydrophobicContact CB-CD1 4.26Å; K420-I422 HydrophobicContact CD-CD1 3.65Å; K420-I422 HydrophobicContact CG-CD1 3.78Å; K420-I422 PolarHBondContact O-N 2.88Å |
| 423 | A | 98.3 | Very high | 93.6 | Very high | 48 Ų | 48 | 67.2 Ų | 67.2 | 40% | 0.397 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 132.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | L294 V295 L311 | L294-A423 HydrophobicContact CD1-CB 4.32Å; V295-A423 VanDerWaalsContact O-CA 3.31Å; V295-A423 WeakPolarHBondContact O-CA 3.21Å; L311-A423 HydrophobicContact CD1-CB 4.33Å |
| 424 | H | 98.3 | Very high | 93.4 | Very high | 53 Ų | 53 | 67.1 Ų | 67.1 | 25% | 0.245 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 146.7 | 177.6 | -80 | -80.2 | 0 | 0 | 0 | 110.9 | V295 H410 E413 H426 | V295-H424 PolarHBondContact N-O 3.14Å; V295-H424 VanDerWaalsContact N-O 3.07Å; V295-H424 PolarHBondContact O-N 3.28Å; H410-H424 AromaticContact CD2-CD2 3.43Å; H410-H424 PolarHBondContact CD2-CD2 2.92Å; H410-H424 VanDerWaalsContact CD2-CD2 3.43Å; H410-H424 AromaticContact CG-CD2 3.7Å; H410-H424 AromaticContact NE2-CD2 3.96Å; E413-H424 IonicContact OE2-CD2 3.67Å; E413-H424 IonicContact OE2-CE1 2.65Å; E413-H424 IonicContact OE2-NE2 3.32Å; E413-H424 PolarHBondContact OE2-NE2 2.7Å; H424-H426 PolarHBondContact O-CD2 3.38Å |
| 425 | W | 98.3 | Very high | 93.3 | Very high | 77 Ų | 77 | 71.3 Ų | 71.3 | 29% | 0.292 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 136.4 | 166.9 | -75.7 | 104.7 | 0 | 0 | 0 | 110 | E292 L294 K312 Q314 L406 | E292-W425 HydrophobicContact CB-CE3 4.12Å; E292-W425 HydrophobicContact CG-CD2 4.45Å; E292-W425 HydrophobicContact CG-CE3 3.62Å; E292-W425 HydrophobicContact CG-CZ3 3.85Å; L294-W425 HydrophobicContact CB-CD2 3.81Å; L294-W425 HydrophobicContact CB-CE3 3.67Å; L294-W425 HydrophobicContact CB-CH2 3.95Å; L294-W425 HydrophobicContact CB-CZ2 4.08Å; L294-W425 HydrophobicContact CB-CZ3 3.72Å; L294-W425 HydrophobicContact CD1-CD2 4.08Å; L294-W425 HydrophobicContact CD1-CG 4.05Å; L294-W425 HydrophobicContact CD2-CZ2 4.27Å; L294-W425 HydrophobicContact CG-CD2 4.42Å; K312-W425 HydrophobicContact CD-CH2 3.93Å; K312-W425 HydrophobicContact CD-CZ2 4.21Å; K312-W425 HydrophobicContact CG-CH2 3.82Å; K312-W425 HydrophobicContact CG-CZ2 4.36Å; Q314-W425 HydrophobicContact CB-CH2 4.42Å; Q314-W425 VanDerWaalsContact CD-CH2 3.46Å; Q314-W425 HydrophobicContact CG-CH2 3.78Å; Q314-W425 HydrophobicContact CG-CZ3 3.79Å; L406-W425 WeakPolarHBondContact CD2-O 3.32Å |
| 426 | H | 97.9 | Very high | 93.3 | Very high | 4 Ų | 4 | 70.1 Ų | 70.1 | 2% | 0.019 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 125.5 | 175.7 | -72.2 | -94.3 | 0 | 0 | 0 | 110 | E292 V293 V396 H410 H424 L428 | E292-H426 CarbonylContact C-O 3.52Å; E292-H426 WeakPolarHBondContact CA-O 3.4Å; E292-H426 WeakPolarHBondContact CB-O 3.29Å; V293-H426 HydrophobicContact CG1-CB 4.35Å; V293-H426 PolarHBondContact N-O 2.71Å; V293-H426 PolarHBondContact O-N 2.96Å; V396-H426 HydrophobicContact CB-CB 4.24Å; V396-H426 HydrophobicContact CG1-CB 3.49Å; V396-H426 VanDerWaalsContact CG1-CB 3.49Å; V396-H426 HydrophobicContact CG2-CB 3.66Å; H410-H426 AromaticContact CE1-NE2 3.9Å; H410-H426 AromaticContact CG-NE2 3.87Å; H410-H426 AromaticContact ND1-CE1 3.83Å; H410-H426 AromaticContact ND1-NE2 3.04Å; H410-H426 PolarHBondContact ND1-NE2 3.01Å; H424-H426 PolarHBondContact O-CD2 3.38Å; H426-L428 PolarHBondContact O-N 3.47Å |
| 427 | Q | 94.9 | Very high | 93.3 | Very high | 101 Ų | 101 | 69.2 Ų | 69.2 | 47% | 0.472 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 130.3 | 172.6 | -69.9 | -70.6 | -38.3 | 0 | 0 | 109.8 | E292 K429 | E292-Q427 PolarHBondContact OE2-NE2 2.95Å; Q427-K429 PolarHBondContact O-N 2.78Å |
| 428 | L | 93.7 | Very high | 93.2 | Very high | 11 Ų | 11 | 69.9 Ų | 69.9 | 6% | 0.058 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 123.1 | -179.6 | -68.1 | 172.9 | 0 | 0 | 0 | 109.8 | R290 G291 V293 L316 V381 V396 H426 | R290-L428 HydrophobicContact CB-CB 3.9Å; R290-L428 WeakPolarHBondContact O-CD1 3.43Å; G291-L428 WeakPolarHBondContact O-CB 3.29Å; G291-L428 PolarHBondContact O-N 3.33Å; V293-L428 HydrophobicContact CB-CD2 4.42Å; V293-L428 HydrophobicContact CG1-CD2 3.87Å; L316-L428 HydrophobicContact CD2-CD1 3.41Å; L316-L428 VanDerWaalsContact CD2-CD1 3.41Å; V381-L428 HydrophobicContact CB-CD1 4.13Å; V381-L428 HydrophobicContact CB-CD2 4.28Å; V381-L428 HydrophobicContact CG2-CD1 3.94Å; V381-L428 HydrophobicContact CG2-CD2 3.62Å; V381-L428 HydrophobicContact CG2-CG 4.46Å; V396-L428 HydrophobicContact CG2-CD2 3.76Å; H426-L428 PolarHBondContact O-N 3.47Å |
| 429 | K | 88.6 | Confident | 93.8 | Very high | 81 Ų | 81 | 72.1 Ų | 72.1 | 35% | 0.352 | 34% | 0.344 | S | S | . | . | B | Isolated β-bridge | trans | -92.5 | 163.1 | 174.9 | -68.5 | -172.9 | -179.7 | -178.7 | 0 | 110.7 | G394 R395 Q427 | G394-K429 CarbonylContact C-O 3.59Å; G394-K429 WeakPolarHBondContact CA-O 3.43Å; R395-K429 HydrophobicContact CG-CB 4.28Å; R395-K429 PolarHBondContact N-O 2.9Å; R395-K429 PolarHBondContact O-N 2.94Å; Q427-K429 PolarHBondContact O-N 2.78Å |
| 430 | P | 79 | Confident | 94.3 | Very high | 90 Ų | 90 | 65.5 Ų | 65.5 | 58% | 0.584 | 33% | 0.325 | S | S | * | . | trans | -48.2 | 0 | -179.8 | -32.9 | 38 | 0 | 0 | 0 | 115.9 | R290 R395 | R290-P430 VanDerWaalsContact CZ-CA 3.49Å; R290-P430 PolarHBondContact NH1-OXT 2.86Å; R395-P430 WeakPolarHBondContact CD-O 3.26Å; R395-P430 VanDerWaalsContact CG-O 3.27Å; R395-P430 WeakPolarHBondContact CG-O 3.41Å; R395-P430 PolarHBondContact NE-O 2.81Å; R395-P430 PolarHBondContact NH1-O 3.48Å |
Retrieved 430 of 430 residues in 301.7 ms
(Link to these results)