| 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 | 50 | Low | 54.2 | Low | 207 Ų | 207 | 131.3 Ų | 131.3 | 100% | 1.02 | 69% | 0.685 | S | S | * | * | 0 | -31.3 | 0 | -122.4 | 179.3 | -80.3 | 0 | 0 | 111.3 | V3 F5 | M1-V3 PolarHBondContact O-N 2.95Å; M1-F5 PolarHBondContact O-N 3.41Å | |||
| 2 | D | 54.8 | Low | 55.7 | Low | 129 Ų | 129 | 128.3 Ų | 128.3 | 69% | 0.69 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -67 | -30.4 | -178.8 | -59.8 | -56.9 | 0 | 0 | 0 | 116.2 | F5 Q6 | D2-F5 PolarHBondContact O-N 3.45Å; D2-Q6 WeakPolarHBondContact O-CB 3.49Å; D2-Q6 PolarHBondContact O-N 2.92Å |
| 3 | V | 54.1 | Low | 57.5 | Low | 107 Ų | 107 | 124.8 Ų | 124.8 | 65% | 0.648 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -71.1 | -36.1 | -178.9 | -178.3 | 0 | 0 | 0 | 0 | 112.1 | M1 L7 | M1-V3 PolarHBondContact O-N 2.95Å; V3-L7 WeakPolarHBondContact O-CB 3.49Å; V3-L7 PolarHBondContact O-N 3.01Å |
| 4 | I | 51.6 | Low | 58.7 | Low | 120 Ų | 120 | 123.1 Ų | 123.1 | 62% | 0.615 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -74.1 | -35.6 | 178.1 | -65.5 | 173 | 0 | 0 | 0 | 110.4 | L7 L8 | I4-L7 PolarHBondContact O-N 2.71Å; I4-L8 HydrophobicContact CG2-CD1 3.91Å; I4-L8 WeakPolarHBondContact O-CB 3.33Å; I4-L8 WeakPolarHBondContact O-CG 3.39Å; I4-L8 PolarHBondContact O-N 2.65Å; I4-L8 VanDerWaalsContact O-N 3.08Å |
| 5 | F | 49.1 | Very low | 59.9 | Low | 133 Ų | 133 | 120.9 Ų | 120.9 | 58% | 0.583 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -67.8 | -41.6 | 173.9 | -122.6 | -93.1 | 0 | 0 | 0 | 111.7 | M1 D2 L7 L8 F9 | M1-F5 PolarHBondContact O-N 3.41Å; D2-F5 PolarHBondContact O-N 3.45Å; F5-L7 VanDerWaalsContact C-N 3.32Å; F5-L7 PolarHBondContact O-N 3.13Å; F5-L8 PolarHBondContact O-N 2.81Å; F5-F9 AromaticContact CD1-CD2 3.47Å; F5-F9 HydrophobicContact CD1-CD2 3.47Å; F5-F9 VanDerWaalsContact CD1-CD2 3.47Å; F5-F9 AromaticContact CD1-CE2 3.58Å; F5-F9 HydrophobicContact CD1-CE2 3.58Å; F5-F9 AromaticContact CE1-CD2 3.68Å; F5-F9 HydrophobicContact CE1-CD2 3.68Å; F5-F9 AromaticContact CE1-CE2 3.32Å; F5-F9 HydrophobicContact CE1-CE2 3.32Å; F5-F9 HydrophobicContact CE1-CZ 4.18Å; F5-F9 HydrophobicContact CE2-CE2 4.48Å; F5-F9 HydrophobicContact CG-CD2 4.21Å; F5-F9 HydrophobicContact CG-CE2 4.27Å; F5-F9 AromaticContact CZ-CE2 3.83Å; F5-F9 HydrophobicContact CZ-CE2 3.83Å; F5-F9 VanDerWaalsContact O-CD2 3.3Å; F5-F9 WeakPolarHBondContact O-CD2 3.35Å; F5-F9 PolarHBondContact O-N 2.96Å; F5-F9 VanDerWaalsContact O-N 3.09Å |
| 6 | Q | 53.1 | Low | 60.9 | Low | 143 Ų | 143 | 117.2 Ų | 117.2 | 67% | 0.668 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -63.9 | -36.2 | 173.5 | -83.7 | -174.1 | -23.4 | 0 | 0 | 112.7 | D2 S10 | D2-Q6 WeakPolarHBondContact O-CB 3.49Å; D2-Q6 PolarHBondContact O-N 2.92Å; Q6-S10 WeakPolarHBondContact O-CB 3.3Å; Q6-S10 PolarHBondContact O-N 2.86Å; Q6-S10 PolarHBondContact O-OG 3.39Å |
| 7 | L | 52.3 | Low | 61.5 | Low | 139 Ų | 139 | 113.7 Ų | 113.7 | 73% | 0.728 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -72.5 | -29.9 | 179 | -143.1 | 117.5 | 0 | 0 | 0 | 113.2 | V3 I4 F5 | V3-L7 WeakPolarHBondContact O-CB 3.49Å; V3-L7 PolarHBondContact O-N 3.01Å; I4-L7 PolarHBondContact O-N 2.71Å; F5-L7 VanDerWaalsContact C-N 3.32Å; F5-L7 PolarHBondContact O-N 3.13Å |
| 8 | L | 50.3 | Low | 62.4 | Low | 127 Ų | 127 | 112.9 Ų | 112.9 | 67% | 0.665 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -83.6 | -24.5 | 178.5 | -76.6 | 166.1 | 0 | 0 | 0 | 113.5 | I4 F5 | I4-L8 HydrophobicContact CG2-CD1 3.91Å; I4-L8 WeakPolarHBondContact O-CB 3.33Å; I4-L8 WeakPolarHBondContact O-CG 3.39Å; I4-L8 PolarHBondContact O-N 2.65Å; I4-L8 VanDerWaalsContact O-N 3.08Å; F5-L8 PolarHBondContact O-N 2.81Å |
| 9 | F | 56.2 | Low | 63 | Low | 151 Ų | 151 | 110.6 Ų | 110.6 | 66% | 0.662 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -119.2 | 2.5 | -174.4 | -66.1 | -77.6 | 0 | 0 | 0 | 114.8 | F5 | F5-F9 AromaticContact CD1-CD2 3.47Å; F5-F9 HydrophobicContact CD1-CD2 3.47Å; F5-F9 VanDerWaalsContact CD1-CD2 3.47Å; F5-F9 AromaticContact CD1-CE2 3.58Å; F5-F9 HydrophobicContact CD1-CE2 3.58Å; F5-F9 AromaticContact CE1-CD2 3.68Å; F5-F9 HydrophobicContact CE1-CD2 3.68Å; F5-F9 AromaticContact CE1-CE2 3.32Å; F5-F9 HydrophobicContact CE1-CE2 3.32Å; F5-F9 HydrophobicContact CE1-CZ 4.18Å; F5-F9 HydrophobicContact CE2-CE2 4.48Å; F5-F9 HydrophobicContact CG-CD2 4.21Å; F5-F9 HydrophobicContact CG-CE2 4.27Å; F5-F9 AromaticContact CZ-CE2 3.83Å; F5-F9 HydrophobicContact CZ-CE2 3.83Å; F5-F9 VanDerWaalsContact O-CD2 3.3Å; F5-F9 WeakPolarHBondContact O-CD2 3.35Å; F5-F9 PolarHBondContact O-N 2.96Å; F5-F9 VanDerWaalsContact O-N 3.09Å |
| 10 | S | 60.2 | Low | 63.6 | Low | 65 Ų | 65 | 110.3 Ų | 110.3 | 46% | 0.455 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -71.3 | 135.8 | 169.3 | 54.3 | 0 | 0 | 0 | 0 | 111 | Q6 L12 | Q6-S10 WeakPolarHBondContact O-CB 3.3Å; Q6-S10 PolarHBondContact O-N 2.86Å; Q6-S10 PolarHBondContact O-OG 3.39Å; S10-L12 PolarHBondContact O-N 3.07Å |
| 11 | P | 64.7 | Low | 64.3 | Low | 123 Ų | 123 | 109.9 Ų | 109.9 | 80% | 0.799 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 124.5 | 175.2 | 23.5 | -31.2 | 0 | 0 | 0 | 109.3 | ||
| 12 | L | 72.5 | Confident | 65.9 | Low | 96 Ų | 96 | 104.3 Ų | 104.3 | 50% | 0.503 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -54.3 | 136.7 | 178 | -74.4 | 169 | 0 | 0 | 0 | 109.4 | S10 T14 V16 V17 L20 | S10-L12 PolarHBondContact O-N 3.07Å; L12-T14 PolarHBondContact O-N 3.11Å; L12-V16 HydrophobicContact CD2-CG1 4.06Å; L12-V17 HydrophobicContact CB-CG2 3.52Å; L12-V17 HydrophobicContact CD1-CG2 4.42Å; L12-L20 HydrophobicContact CD1-CD1 3.89Å |
| 13 | P | 78.6 | Confident | 67.3 | Low | 82 Ų | 82 | 102.3 Ų | 102.3 | 53% | 0.532 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -52.9 | 137.4 | 174.1 | -24.5 | 32.7 | 0 | 0 | 0 | 110.3 | P15 V16 V17 | P13-P15 VanDerWaalsContact C-N 3.25Å; P13-P15 VanDerWaalsContact O-N 3.07Å; P13-V16 HydrophobicContact CB-CG2 4.23Å; P13-V16 HydrophobicContact CG-CG2 4.33Å; P13-V16 WeakPolarHBondContact O-CA 3.31Å; P13-V16 WeakPolarHBondContact O-CB 3.4Å; P13-V16 PolarHBondContact O-N 3.28Å; P13-V17 PolarHBondContact O-N 2.81Å; P13-V17 VanDerWaalsContact O-N 3.17Å |
| 14 | T | 73.9 | Confident | 68.5 | Low | 102 Ų | 102 | 99 Ų | 99 | 63% | 0.626 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -46.5 | -40.6 | -178.3 | -46.4 | 0 | 0 | 0 | 0 | 114 | L12 V16 V17 I18 | L12-T14 PolarHBondContact O-N 3.11Å; T14-V16 VanDerWaalsContact C-N 3.31Å; T14-V16 PolarHBondContact O-N 3Å; T14-V17 PolarHBondContact O-N 3.16Å; T14-I18 HydrophobicContact CG2-CD1 3.95Å; T14-I18 HydrophobicContact CG2-CG1 4.43Å; T14-I18 VanDerWaalsContact O-CG1 3.31Å; T14-I18 WeakPolarHBondContact O-CG1 3.47Å; T14-I18 PolarHBondContact O-N 2.87Å |
| 15 | P | 77.1 | Confident | 69.9 | Low | 89 Ų | 89 | 97.7 Ų | 97.7 | 58% | 0.578 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.1 | -33.1 | 175 | -23.4 | 35.2 | 0 | 0 | 0 | 114.4 | P13 S19 | P13-P15 VanDerWaalsContact C-N 3.25Å; P13-P15 VanDerWaalsContact O-N 3.07Å; P15-S19 WeakPolarHBondContact O-CB 3.2Å; P15-S19 PolarHBondContact O-N 2.68Å; P15-S19 PolarHBondContact O-OG 3.25Å |
| 16 | V | 75.9 | Confident | 71.1 | Confident | 62 Ų | 62 | 94.1 Ų | 94.1 | 38% | 0.376 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -73.8 | -41.2 | 178.1 | -179.8 | 0 | 0 | 0 | 0 | 110.2 | L12 P13 T14 S19 L20 | L12-V16 HydrophobicContact CD2-CG1 4.06Å; P13-V16 HydrophobicContact CB-CG2 4.23Å; P13-V16 HydrophobicContact CG-CG2 4.33Å; P13-V16 WeakPolarHBondContact O-CA 3.31Å; P13-V16 WeakPolarHBondContact O-CB 3.4Å; P13-V16 PolarHBondContact O-N 3.28Å; T14-V16 VanDerWaalsContact C-N 3.31Å; T14-V16 PolarHBondContact O-N 3Å; V16-S19 PolarHBondContact O-N 2.95Å; V16-L20 HydrophobicContact CG1-CD1 4.17Å; V16-L20 WeakPolarHBondContact O-CG 3.32Å; V16-L20 PolarHBondContact O-N 2.97Å |
| 17 | V | 71.8 | Confident | 72.1 | Confident | 58 Ų | 58 | 90.6 Ų | 90.6 | 35% | 0.352 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.8 | -47.4 | 174.6 | 179.1 | 0 | 0 | 0 | 0 | 111 | L12 P13 T14 S19 L20 I21 | L12-V17 HydrophobicContact CB-CG2 3.52Å; L12-V17 HydrophobicContact CD1-CG2 4.42Å; P13-V17 PolarHBondContact O-N 2.81Å; P13-V17 VanDerWaalsContact O-N 3.17Å; T14-V17 PolarHBondContact O-N 3.16Å; V17-S19 VanDerWaalsContact C-N 3.32Å; V17-S19 PolarHBondContact O-N 3.2Å; V17-L20 PolarHBondContact O-N 3.17Å; V17-I21 HydrophobicContact CG1-CD1 3.89Å; V17-I21 VanDerWaalsContact O-CG1 3.28Å; V17-I21 WeakPolarHBondContact O-CG1 3.14Å; V17-I21 PolarHBondContact O-N 3.44Å |
| 18 | I | 76.4 | Confident | 73.1 | Confident | 99 Ų | 99 | 89.2 Ų | 89.2 | 51% | 0.508 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.5 | -44.5 | 175.4 | -68.5 | 168.8 | 0 | 0 | 0 | 110.4 | T14 L20 I21 V22 | T14-I18 HydrophobicContact CG2-CD1 3.95Å; T14-I18 HydrophobicContact CG2-CG1 4.43Å; T14-I18 VanDerWaalsContact O-CG1 3.31Å; T14-I18 WeakPolarHBondContact O-CG1 3.47Å; T14-I18 PolarHBondContact O-N 2.87Å; I18-L20 PolarHBondContact O-N 3.18Å; I18-I21 PolarHBondContact O-N 2.97Å; I18-V22 HydrophobicContact CG2-CG2 4.3Å; I18-V22 VanDerWaalsContact O-CG2 3.3Å; I18-V22 WeakPolarHBondContact O-CG2 3.45Å; I18-V22 PolarHBondContact O-N 3.27Å |
| 19 | S | 74.3 | Confident | 74.4 | Confident | 69 Ų | 69 | 90.4 Ų | 90.4 | 48% | 0.483 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 179.1 | -58.5 | 0 | 0 | 0 | 0 | 112.4 | P15 V16 V17 V22 V23 | P15-S19 WeakPolarHBondContact O-CB 3.2Å; P15-S19 PolarHBondContact O-N 2.68Å; P15-S19 PolarHBondContact O-OG 3.25Å; V16-S19 PolarHBondContact O-N 2.95Å; V17-S19 VanDerWaalsContact C-N 3.32Å; V17-S19 PolarHBondContact O-N 3.2Å; S19-V22 PolarHBondContact O-N 2.79Å; S19-V23 WeakPolarHBondContact O-CB 3.4Å; S19-V23 VanDerWaalsContact O-CG2 3.29Å; S19-V23 WeakPolarHBondContact O-CG2 3.35Å; S19-V23 PolarHBondContact O-N 3.07Å |
| 20 | L | 75.2 | Confident | 75.2 | Confident | 104 Ų | 104 | 90.7 Ų | 90.7 | 55% | 0.545 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.7 | -37.7 | 176.4 | -73.5 | 170.1 | 0 | 0 | 0 | 112.2 | L12 V16 V17 I18 G24 | L12-L20 HydrophobicContact CD1-CD1 3.89Å; V16-L20 HydrophobicContact CG1-CD1 4.17Å; V16-L20 WeakPolarHBondContact O-CG 3.32Å; V16-L20 PolarHBondContact O-N 2.97Å; V17-L20 PolarHBondContact O-N 3.17Å; I18-L20 PolarHBondContact O-N 3.18Å; L20-G24 PolarHBondContact O-N 2.78Å |
| 21 | I | 78.3 | Confident | 75.8 | Confident | 102 Ų | 102 | 91.1 Ų | 91.1 | 52% | 0.523 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.9 | -45.4 | 173.8 | -68.6 | 168.5 | 0 | 0 | 0 | 110.3 | V17 I18 G24 V25 | V17-I21 HydrophobicContact CG1-CD1 3.89Å; V17-I21 VanDerWaalsContact O-CG1 3.28Å; V17-I21 WeakPolarHBondContact O-CG1 3.14Å; V17-I21 PolarHBondContact O-N 3.44Å; I18-I21 PolarHBondContact O-N 2.97Å; I21-G24 PolarHBondContact O-N 2.93Å; I21-V25 HydrophobicContact CG2-CG2 4.21Å; I21-V25 WeakPolarHBondContact O-CB 3.4Å; I21-V25 VanDerWaalsContact O-CG2 3.28Å; I21-V25 WeakPolarHBondContact O-CG2 3.33Å; I21-V25 PolarHBondContact O-N 2.98Å |
| 22 | V | 83.1 | Confident | 76 | Confident | 90 Ų | 90 | 91.4 Ų | 91.4 | 55% | 0.545 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.8 | -45.4 | 177.7 | 169.7 | 0 | 0 | 0 | 0 | 110.8 | I18 S19 V25 A26 | I18-V22 HydrophobicContact CG2-CG2 4.3Å; I18-V22 VanDerWaalsContact O-CG2 3.3Å; I18-V22 WeakPolarHBondContact O-CG2 3.45Å; I18-V22 PolarHBondContact O-N 3.27Å; S19-V22 PolarHBondContact O-N 2.79Å; V22-V25 PolarHBondContact O-N 3.11Å; V22-A26 WeakPolarHBondContact O-CB 3.37Å; V22-A26 PolarHBondContact O-N 3.49Å |
| 23 | V | 83.7 | Confident | 75.9 | Confident | 88 Ų | 88 | 89.8 Ų | 89.8 | 53% | 0.533 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 175.1 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | S19 A26 T27 | S19-V23 WeakPolarHBondContact O-CB 3.4Å; S19-V23 VanDerWaalsContact O-CG2 3.29Å; S19-V23 WeakPolarHBondContact O-CG2 3.35Å; S19-V23 PolarHBondContact O-N 3.07Å; V23-A26 PolarHBondContact O-N 2.97Å; V23-T27 WeakPolarHBondContact O-CB 3.17Å; V23-T27 PolarHBondContact O-N 3.32Å; V23-T27 PolarHBondContact O-OG1 3.05Å |
| 24 | G | 80.9 | Confident | 75.7 | Confident | 37 Ų | 37 | 92.8 Ų | 92.8 | 38% | 0.381 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.3 | -47.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L20 I21 T27 L28 | L20-G24 PolarHBondContact O-N 2.78Å; I21-G24 PolarHBondContact O-N 2.93Å; G24-T27 PolarHBondContact O-N 3.39Å; G24-L28 WeakPolarHBondContact O-CB 3.32Å; G24-L28 PolarHBondContact O-N 2.8Å |
| 25 | V | 79.6 | Confident | 75.8 | Confident | 93 Ų | 93 | 90.4 Ų | 90.4 | 56% | 0.564 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.5 | -43.4 | 176.9 | 172.1 | 0 | 0 | 0 | 0 | 111 | I21 V22 T27 L28 F29 | I21-V25 HydrophobicContact CG2-CG2 4.21Å; I21-V25 WeakPolarHBondContact O-CB 3.4Å; I21-V25 VanDerWaalsContact O-CG2 3.28Å; I21-V25 WeakPolarHBondContact O-CG2 3.33Å; I21-V25 PolarHBondContact O-N 2.98Å; V22-V25 PolarHBondContact O-N 3.11Å; V25-T27 VanDerWaalsContact C-N 3.34Å; V25-T27 PolarHBondContact O-N 3.25Å; V25-L28 PolarHBondContact O-N 2.73Å; V25-F29 WeakPolarHBondContact O-CB 3.48Å; V25-F29 PolarHBondContact O-N 3.35Å |
| 26 | A | 74.2 | Confident | 75.9 | Confident | 57 Ų | 57 | 91 Ų | 91 | 47% | 0.471 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.9 | -39 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V22 V23 Y30 | V22-A26 WeakPolarHBondContact O-CB 3.37Å; V22-A26 PolarHBondContact O-N 3.49Å; V23-A26 PolarHBondContact O-N 2.97Å; A26-Y30 VanDerWaalsContact O-CB 3.23Å; A26-Y30 WeakPolarHBondContact O-CB 3.18Å; A26-Y30 PolarHBondContact O-N 3.45Å |
| 27 | T | 74.3 | Confident | 76.3 | Confident | 69 Ų | 69 | 91.6 Ų | 91.6 | 42% | 0.423 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.5 | -44.5 | 175.4 | -57.7 | 0 | 0 | 0 | 0 | 110.9 | V23 G24 V25 Y30 L31 | V23-T27 WeakPolarHBondContact O-CB 3.17Å; V23-T27 PolarHBondContact O-N 3.32Å; V23-T27 PolarHBondContact O-OG1 3.05Å; G24-T27 PolarHBondContact O-N 3.39Å; V25-T27 VanDerWaalsContact C-N 3.34Å; V25-T27 PolarHBondContact O-N 3.25Å; T27-Y30 PolarHBondContact O-N 3.05Å; T27-L31 HydrophobicContact CG2-CD1 3.88Å; T27-L31 HydrophobicContact CG2-CG 4.25Å; T27-L31 WeakPolarHBondContact O-CB 3.48Å; T27-L31 WeakPolarHBondContact O-CG 3.35Å; T27-L31 PolarHBondContact O-N 2.75Å |
| 28 | L | 74 | Confident | 76.9 | Confident | 111 Ų | 111 | 90.5 Ų | 90.5 | 58% | 0.581 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.9 | -42.2 | 177.2 | -155.1 | 95 | 0 | 0 | 0 | 111.3 | G24 V25 L31 N32 | G24-L28 WeakPolarHBondContact O-CB 3.32Å; G24-L28 PolarHBondContact O-N 2.8Å; V25-L28 PolarHBondContact O-N 2.73Å; L28-L31 PolarHBondContact O-N 3.14Å; L28-N32 VanDerWaalsContact O-CB 3.28Å; L28-N32 WeakPolarHBondContact O-CB 3.42Å; L28-N32 VanDerWaalsContact O-CG 3.29Å; L28-N32 PolarHBondContact O-N 3.45Å; L28-N32 PolarHBondContact O-ND2 3.33Å |
| 29 | F | 76.7 | Confident | 77.2 | Confident | 152 Ų | 152 | 95.7 Ų | 95.7 | 67% | 0.667 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.8 | -45.6 | 173.9 | -177.1 | -94.8 | 0 | 0 | 0 | 110.9 | V25 N32 A33 | V25-F29 WeakPolarHBondContact O-CB 3.48Å; V25-F29 PolarHBondContact O-N 3.35Å; F29-N32 PolarHBondContact O-N 2.97Å; F29-A33 HydrophobicContact CD1-CB 4.43Å; F29-A33 HydrophobicContact CE1-CB 4.23Å; F29-A33 HydrophobicContact CZ-CB 4.44Å; F29-A33 WeakPolarHBondContact O-CA 3.15Å; F29-A33 WeakPolarHBondContact O-CB 3.07Å; F29-A33 PolarHBondContact O-N 2.82Å |
| 30 | Y | 74.6 | Confident | 77.7 | Confident | 156 Ų | 156 | 93.9 Ų | 93.9 | 61% | 0.612 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.4 | -43.9 | 175.4 | 178.1 | -97.8 | 0 | 0 | 0 | 112.2 | A26 T27 N32 A33 R34 | A26-Y30 VanDerWaalsContact O-CB 3.23Å; A26-Y30 WeakPolarHBondContact O-CB 3.18Å; A26-Y30 PolarHBondContact O-N 3.45Å; T27-Y30 PolarHBondContact O-N 3.05Å; Y30-N32 VanDerWaalsContact C-N 3.3Å; Y30-N32 PolarHBondContact O-N 2.82Å; Y30-A33 PolarHBondContact O-N 3.27Å; Y30-R34 WeakPolarHBondContact O-CA 3.41Å; Y30-R34 WeakPolarHBondContact O-CB 3.39Å; Y30-R34 PolarHBondContact O-N 3.32Å |
| 31 | L | 71.8 | Confident | 78.2 | Confident | 75 Ų | 75 | 90.6 Ų | 90.6 | 39% | 0.393 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.8 | -29.8 | 178.5 | -72.7 | 173.9 | 0 | 0 | 0 | 113.1 | T27 L28 R34 | T27-L31 HydrophobicContact CG2-CD1 3.88Å; T27-L31 HydrophobicContact CG2-CG 4.25Å; T27-L31 WeakPolarHBondContact O-CB 3.48Å; T27-L31 WeakPolarHBondContact O-CG 3.35Å; T27-L31 PolarHBondContact O-N 2.75Å; L28-L31 PolarHBondContact O-N 3.14Å; L31-R34 WeakPolarHBondContact O-CG 3.49Å; L31-R34 PolarHBondContact O-NE 2.6Å |
| 32 | N | 70 | Confident | 78.6 | Confident | 128 Ų | 128 | 86.7 Ų | 86.7 | 68% | 0.684 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -87.6 | -30.1 | 176.2 | -73 | -22.7 | 0 | 0 | 0 | 113.1 | L28 F29 Y30 | L28-N32 VanDerWaalsContact O-CB 3.28Å; L28-N32 WeakPolarHBondContact O-CB 3.42Å; L28-N32 VanDerWaalsContact O-CG 3.29Å; L28-N32 PolarHBondContact O-N 3.45Å; L28-N32 PolarHBondContact O-ND2 3.33Å; F29-N32 PolarHBondContact O-N 2.97Å; Y30-N32 VanDerWaalsContact C-N 3.3Å; Y30-N32 PolarHBondContact O-N 2.82Å |
| 33 | A | 69.9 | Low | 79 | Confident | 63 Ų | 63 | 86.9 Ų | 86.9 | 52% | 0.521 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -93.3 | -10 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | F29 Y30 | F29-A33 HydrophobicContact CD1-CB 4.43Å; F29-A33 HydrophobicContact CE1-CB 4.23Å; F29-A33 HydrophobicContact CZ-CB 4.44Å; F29-A33 WeakPolarHBondContact O-CA 3.15Å; F29-A33 WeakPolarHBondContact O-CB 3.07Å; F29-A33 PolarHBondContact O-N 2.82Å; Y30-A33 PolarHBondContact O-N 3.27Å |
| 34 | R | 73.8 | Confident | 79.3 | Confident | 145 Ų | 145 | 85.2 Ų | 85.2 | 55% | 0.547 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -64.4 | 135.4 | 176.6 | 67.9 | -173.9 | 176.7 | 165.6 | 2.8 | 109.4 | Y30 L31 S36 | Y30-R34 WeakPolarHBondContact O-CA 3.41Å; Y30-R34 WeakPolarHBondContact O-CB 3.39Å; Y30-R34 PolarHBondContact O-N 3.32Å; L31-R34 WeakPolarHBondContact O-CG 3.49Å; L31-R34 PolarHBondContact O-NE 2.6Å; R34-S36 PolarHBondContact O-N 2.83Å |
| 35 | P | 76.3 | Confident | 79.7 | Confident | 52 Ų | 52 | 89.5 Ų | 89.5 | 34% | 0.338 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 137.9 | 177.2 | 26.8 | -33.2 | 0 | 0 | 0 | 110.2 | I391 | P35-I391 HydrophobicContact CB-CG2 3.58Å; P35-I391 HydrophobicContact CG-CD1 4.22Å; P35-I391 HydrophobicContact CG-CG1 4.44Å; P35-I391 HydrophobicContact CG-CG2 3.61Å |
| 36 | S | 78.9 | Confident | 80.3 | Confident | 100 Ų | 100 | 93 Ų | 93 | 70% | 0.699 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -87.9 | 138 | 175.3 | 48.7 | 0 | 0 | 0 | 0 | 110.8 | R34 | R34-S36 PolarHBondContact O-N 2.83Š|
| 37 | P | 84.4 | Confident | 81.2 | Confident | 75 Ų | 75 | 90.3 Ų | 90.3 | 49% | 0.487 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 139.4 | 169.3 | -27.1 | 36.8 | 0 | 0 | 0 | 111.7 | R39 D389 G390 I391 | P37-R39 PolarHBondContact O-N 3.4Å; P37-D389 VanDerWaalsContact CB-O 3.31Å; P37-D389 WeakPolarHBondContact CB-O 3.26Å; P37-D389 WeakPolarHBondContact CG-O 3.37Å; P37-G390 WeakPolarHBondContact CA-O 3.5Å; P37-I391 HydrophobicContact CG-CG1 4.32Å |
| 38 | V | 84.8 | Confident | 82.1 | Confident | 35 Ų | 35 | 87.1 Ų | 87.1 | 21% | 0.212 | 44% | 0.44 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 124.5 | 168.3 | 176.9 | 0 | 0 | 0 | 0 | 108.4 | A293 G390 Q439 P458 | V38-A293 HydrophobicContact CG1-CB 3.43Å; V38-A293 VanDerWaalsContact CG1-CB 3.43Å; V38-G390 PolarHBondContact N-O 3.38Å; V38-Q439 VanDerWaalsContact CG1-NE2 3.28Å; V38-P458 HydrophobicContact CG1-CB 4.07Å |
| 39 | R | 81.8 | Confident | 82.9 | Confident | 209 Ų | 209 | 83.1 Ų | 83.1 | 79% | 0.789 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -82.7 | 127.6 | 179.2 | -64.5 | -174.2 | 179.7 | -176 | -0.2 | 110.4 | P37 S292 | P37-R39 PolarHBondContact O-N 3.4Å; R39-S292 PolarHBondContact O-OG 3.25Å |
| 40 | S | 86.1 | Confident | 83.6 | Confident | 30 Ų | 30 | 78.8 Ų | 78.8 | 21% | 0.21 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 143.2 | 170.3 | -160.5 | 0 | 0 | 0 | 0 | 110.4 | A42 L44 P458 | S40-A42 WeakPolarHBondContact CB-O 3.32Å; S40-A42 PolarHBondContact O-N 3.08Å; S40-A42 PolarHBondContact OG-O 2.76Å; S40-L44 WeakPolarHBondContact OG-CD2 3.32Å; S40-P458 WeakPolarHBondContact CA-O 3.35Å; S40-P458 WeakPolarHBondContact CB-O 3.48Å; S40-P458 PolarHBondContact OG-O 3.24Å |
| 41 | P | 85.4 | Confident | 84.3 | Confident | 36 Ų | 36 | 73.3 Ų | 73.3 | 23% | 0.234 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -73.7 | -7 | 177.8 | 30.9 | -35 | 0 | 0 | 0 | 113.3 | M60 S292 L457 | P41-M60 HydrophobicContact CB-CG 4.06Å; P41-M60 HydrophobicContact CB-SD 3.81Å; P41-M60 HydrophobicContact CG-CG 4.11Å; P41-M60 HydrophobicContact CG-SD 3.48Å; P41-M60 WeakPolarHBondContact CG-SD 3.42Å; P41-S292 WeakPolarHBondContact CD-OG 3.4Å; P41-L457 HydrophobicContact CG-CD1 4.43Å; P41-L457 HydrophobicContact CG-CD2 4.13Å |
| 42 | A | 87.3 | Confident | 84.9 | Confident | 19 Ų | 19 | 77.4 Ų | 77.4 | 16% | 0.157 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -144.1 | 166.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | S40 L44 A59 M60 L457 | S40-A42 WeakPolarHBondContact CB-O 3.32Å; S40-A42 PolarHBondContact O-N 3.08Å; S40-A42 PolarHBondContact OG-O 2.76Å; A42-L44 PolarHBondContact O-N 3.37Å; A42-A59 HydrophobicContact CB-CB 3.99Å; A42-M60 HydrophobicContact CB-CG 4.49Å; A42-L457 HydrophobicContact CB-CD1 3.93Å |
| 43 | D | 89.6 | Confident | 85.6 | Confident | 94 Ų | 94 | 77.2 Ų | 77.2 | 50% | 0.503 | 41% | 0.413 | S | S | . | . | trans | -64.7 | 120.2 | 171.3 | -179.8 | -0.7 | 0 | 0 | 0 | 110.2 | N45 R46 Q47 | D43-N45 PolarHBondContact O-N 3.18Å; D43-N45 VanDerWaalsContact O-N 3.14Å; D43-N45 PolarHBondContact OD1-N 3.12Å; D43-N45 PolarHBondContact OD1-ND2 2.67Å; D43-R46 CarbonylContact O-C 3.57Å; D43-R46 PolarHBondContact O-N 2.73Å; D43-Q47 VanDerWaalsContact O-CG 3.31Å; D43-Q47 WeakPolarHBondContact O-CG 3.29Å; D43-Q47 PolarHBondContact O-N 2.86Å | ||
| 44 | L | 90.4 | Very high | 86.4 | Confident | 54 Ų | 54 | 77 Ų | 77 | 28% | 0.283 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -18.1 | -179 | -67.6 | -178.6 | 0 | 0 | 0 | 113.7 | S40 A42 Q47 L457 D460 S533 | S40-L44 WeakPolarHBondContact OG-CD2 3.32Å; A42-L44 PolarHBondContact O-N 3.37Å; L44-Q47 HydrophobicContact CD2-CG 4.46Å; L44-Q47 WeakPolarHBondContact O-CG 3.45Å; L44-Q47 PolarHBondContact O-NE2 3.07Å; L44-L457 HydrophobicContact CD2-CB 4.46Å; L44-D460 HydrophobicContact CD2-CB 3.76Å; L44-S533 WeakPolarHBondContact O-CB 3.44Å |
| 45 | N | 90.4 | Very high | 87.3 | Confident | 127 Ų | 127 | 70.2 Ų | 70.2 | 68% | 0.679 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -10.4 | 174.3 | -57.4 | -67.4 | 0 | 0 | 0 | 113.1 | D43 S533 | D43-N45 PolarHBondContact O-N 3.18Å; D43-N45 VanDerWaalsContact O-N 3.14Å; D43-N45 PolarHBondContact OD1-N 3.12Å; D43-N45 PolarHBondContact OD1-ND2 2.67Å; N45-S533 WeakPolarHBondContact O-CA 3.34Å |
| 46 | R | 90.9 | Very high | 88.2 | Confident | 166 Ų | 166 | 71 Ų | 71 | 63% | 0.626 | 39% | 0.388 | S | S | * | . | trans | -147.3 | 64.2 | -179.1 | -167 | -177.5 | 173.1 | -174.9 | -3.3 | 110.3 | D43 T48 | D43-R46 CarbonylContact O-C 3.57Å; D43-R46 PolarHBondContact O-N 2.73Å; R46-T48 VanDerWaalsContact C-N 3.3Å; R46-T48 PolarHBondContact O-N 2.86Å | ||
| 47 | Q | 92.8 | Very high | 88.9 | Confident | 1 Ų | 1 | 66.5 Ų | 66.5 | 1% | 0.005 | 36% | 0.357 | C | S | . | . | trans | -80.2 | -12.1 | -170.3 | -55 | -174.5 | 39.6 | 0 | 0 | 113.6 | D43 L44 A59 L457 D460 V468 S533 V535 | D43-Q47 VanDerWaalsContact O-CG 3.31Å; D43-Q47 WeakPolarHBondContact O-CG 3.29Å; D43-Q47 PolarHBondContact O-N 2.86Å; L44-Q47 HydrophobicContact CD2-CG 4.46Å; L44-Q47 WeakPolarHBondContact O-CG 3.45Å; L44-Q47 PolarHBondContact O-NE2 3.07Å; Q47-A59 WeakPolarHBondContact O-CB 3.29Å; Q47-A59 PolarHBondContact O-N 3.5Å; Q47-L457 HydrophobicContact CB-CD1 4.14Å; Q47-L457 HydrophobicContact CG-CD1 4.16Å; Q47-D460 PolarHBondContact NE2-OD2 2.9Å; Q47-V468 HydrophobicContact CB-CG1 3.36Å; Q47-V468 HydrophobicContact CG-CG1 4.46Å; Q47-S533 PolarHBondContact N-O 3.44Å; Q47-V535 HydrophobicContact CB-CG1 4.37Å; Q47-V535 VanDerWaalsContact CD-CG1 3.48Å; Q47-V535 HydrophobicContact CG-CG1 4.31Å | ||
| 48 | T | 93.6 | Very high | 89.4 | Confident | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.012 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 153.4 | 177.8 | 54.8 | 0 | 0 | 0 | 0 | 113 | R46 R56 K57 V468 P469 G534 | R46-T48 VanDerWaalsContact C-N 3.3Å; R46-T48 PolarHBondContact O-N 2.86Å; T48-R56 VanDerWaalsContact OG1-CZ 3.28Å; T48-R56 PolarHBondContact OG1-NE 3.29Å; T48-R56 PolarHBondContact OG1-NH2 3.04Å; T48-K57 CarbonylContact C-O 3.57Å; T48-K57 WeakPolarHBondContact CA-O 3.04Å; T48-K57 VanDerWaalsContact CB-O 3.22Å; T48-K57 WeakPolarHBondContact CB-O 3.39Å; T48-V468 HydrophobicContact CG2-CB 3.66Å; T48-V468 HydrophobicContact CG2-CG1 3.52Å; T48-P469 HydrophobicContact CG2-CG 4.49Å; T48-G534 WeakPolarHBondContact CB-O 3.16Å; T48-G534 WeakPolarHBondContact CG2-O 3.15Å; T48-G534 WeakPolarHBondContact OG1-CA 3.46Å; T48-G534 PolarHBondContact OG1-O 3.44Å |
| 49 | L | 92.3 | Very high | 89.7 | Confident | 26 Ų | 26 | 61.6 Ų | 61.6 | 14% | 0.136 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 137.3 | 177 | -58.8 | 173.3 | 0 | 0 | 0 | 109.6 | R56 K57 A59 E62 | L49-R56 VanDerWaalsContact O-CA 3.26Å; L49-R56 WeakPolarHBondContact O-CA 3.4Å; L49-K57 HydrophobicContact CB-CG 4.24Å; L49-K57 PolarHBondContact N-O 3Å; L49-K57 PolarHBondContact O-N 3.48Å; L49-A59 HydrophobicContact CD1-CB 4.43Å; L49-A59 HydrophobicContact CD2-CB 4.46Å; L49-A59 HydrophobicContact CG-CB 4.08Å; L49-E62 HydrophobicContact CD1-CG 3.65Å |
| 50 | G | 90.4 | Very high | 90 | Very high | 62 Ų | 62 | 52.3 Ų | 52.3 | 64% | 0.639 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 144.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 51 | V | 88.3 | Confident | 89.8 | Confident | 40 Ų | 40 | 51.9 Ų | 51.9 | 24% | 0.242 | 29% | 0.287 | C | S | . | . | trans | -127.2 | 179.2 | 176 | -161.1 | 0 | 0 | 0 | 0 | 107 | A55 K57 F474 | V51-A55 HydrophobicContact CB-CB 4.3Å; V51-A55 PolarHBondContact N-O 3.04Å; V51-K57 HydrophobicContact CG2-CB 4.14Å; V51-K57 HydrophobicContact CG2-CD 4.12Å; V51-K57 HydrophobicContact CG2-CG 3.8Å; V51-F474 HydrophobicContact CG1-CD1 4.48Å; V51-F474 HydrophobicContact CG1-CE1 4.12Å; V51-F474 HydrophobicContact CG2-CD1 3.99Å; V51-F474 HydrophobicContact CG2-CE1 3.95Å | ||
| 52 | K | 85.5 | Confident | 89 | Confident | 161 Ų | 161 | 56.8 Ų | 56.8 | 70% | 0.7 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -55.6 | 150 | 177.3 | -159.2 | -171.8 | 165.1 | -176.8 | 0 | 111.6 | G54 A55 | K52-G54 VanDerWaalsContact C-N 3.31Å; K52-G54 PolarHBondContact O-N 2.96Å; K52-A55 WeakPolarHBondContact O-CB 3.35Å; K52-A55 PolarHBondContact O-N 3.43Å |
| 53 | D | 84.1 | Confident | 87.7 | Confident | 124 Ų | 124 | 63.4 Ų | 63.4 | 66% | 0.663 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | 61 | 33.8 | 172 | -48.7 | -42.5 | 0 | 0 | 0 | 114.3 | A55 | D53-A55 PolarHBondContact O-N 3.43Š|
| 54 | G | 87 | Confident | 86.4 | Confident | 58 Ų | 58 | 62.6 Ų | 62.6 | 60% | 0.598 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | 73.6 | 3.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | K52 | K52-G54 VanDerWaalsContact C-N 3.31Å; K52-G54 PolarHBondContact O-N 2.96Å |
| 55 | A | 93.8 | Very high | 85.3 | Confident | 3 Ų | 3 | 64.6 Ų | 64.6 | 3% | 0.025 | 35% | 0.346 | C | S | . | . | trans | -70.2 | 155.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | V51 K52 D53 V475 K476 W521 | V51-A55 HydrophobicContact CB-CB 4.3Å; V51-A55 PolarHBondContact N-O 3.04Å; K52-A55 WeakPolarHBondContact O-CB 3.35Å; K52-A55 PolarHBondContact O-N 3.43Å; D53-A55 PolarHBondContact O-N 3.43Å; A55-V475 CarbonylContact C-O 3.31Å; A55-V475 WeakPolarHBondContact CA-O 3.36Å; A55-K476 HydrophobicContact CB-CB 4.07Å; A55-W521 HydrophobicContact CB-CH2 3.68Å; A55-W521 HydrophobicContact CB-CZ2 4.22Å | ||
| 56 | R | 94.6 | Very high | 84.9 | Confident | 68 Ų | 68 | 63.8 Ų | 63.8 | 26% | 0.257 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 148 | 177.5 | -56 | -176.8 | 76.8 | 93.8 | -2.6 | 110.1 | T48 L49 F474 V475 W530 | T48-R56 VanDerWaalsContact OG1-CZ 3.28Å; T48-R56 PolarHBondContact OG1-NE 3.29Å; T48-R56 PolarHBondContact OG1-NH2 3.04Å; L49-R56 VanDerWaalsContact O-CA 3.26Å; L49-R56 WeakPolarHBondContact O-CA 3.4Å; R56-F474 WeakPolarHBondContact O-CA 3.17Å; R56-V475 PolarHBondContact N-O 3.23Å; R56-V475 PolarHBondContact O-N 3.07Å; R56-W530 HydrophobicContact CB-CH2 4.19Å; R56-W530 HydrophobicContact CB-CZ2 4.05Å; R56-W530 VanDerWaalsContact CD-CD2 3.46Å; R56-W530 HydrophobicContact CG-CZ2 4.05Å |
| 57 | K | 93.9 | Very high | 84.9 | Confident | 7 Ų | 7 | 57.7 Ų | 57.7 | 3% | 0.03 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 164.2 | 169.3 | 66.2 | 177.9 | -168 | 174.8 | 0 | 109.9 | T48 L49 V51 L61 N64 N65 F474 | T48-K57 CarbonylContact C-O 3.57Å; T48-K57 WeakPolarHBondContact CA-O 3.04Å; T48-K57 VanDerWaalsContact CB-O 3.22Å; T48-K57 WeakPolarHBondContact CB-O 3.39Å; L49-K57 HydrophobicContact CB-CG 4.24Å; L49-K57 PolarHBondContact N-O 3Å; L49-K57 PolarHBondContact O-N 3.48Å; V51-K57 HydrophobicContact CG2-CB 4.14Å; V51-K57 HydrophobicContact CG2-CD 4.12Å; V51-K57 HydrophobicContact CG2-CG 3.8Å; K57-L61 HydrophobicContact CD-CB 4.23Å; K57-L61 WeakPolarHBondContact CE-O 3.42Å; K57-L61 PolarHBondContact NZ-O 2.93Å; K57-N64 PolarHBondContact NZ-O 2.92Å; K57-N64 VanDerWaalsContact NZ-O 3.09Å; K57-N65 WeakPolarHBondContact CE-OD1 3.45Å; K57-N65 PolarHBondContact NZ-OD1 3.03Å; K57-F474 HydrophobicContact CB-CD1 3.85Å; K57-F474 HydrophobicContact CB-CE1 3.9Å; K57-F474 HydrophobicContact CD-CE1 4.06Å; K57-F474 HydrophobicContact CG-CE1 4.43Å |
| 58 | T | 93.8 | Very high | 84.9 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 143.5 | 169.3 | 177.7 | 0 | 0 | 0 | 0 | 111.9 | M60 L61 P469 P471 | T58-M60 HydrophobicContact CG2-CB 4Å; T58-M60 HydrophobicContact CG2-CE 3.95Å; T58-M60 PolarHBondContact O-N 3.02Å; T58-M60 VanDerWaalsContact OG1-CE 3.24Å; T58-M60 WeakPolarHBondContact OG1-CE 3.5Å; T58-M60 WeakPolarHBondContact OG1-CG 3.32Å; T58-M60 PolarHBondContact OG1-N 3.44Å; T58-M60 VanDerWaalsContact OG1-N 3.11Å; T58-L61 HydrophobicContact CG2-CD1 4.12Å; T58-L61 HydrophobicContact CG2-CG 3.93Å; T58-L61 PolarHBondContact O-N 2.91Å; T58-P469 WeakPolarHBondContact CB-O 3.16Å; T58-P469 WeakPolarHBondContact CG2-O 3.49Å; T58-P471 HydrophobicContact CG2-CG 4.12Å |
| 59 | A | 91.8 | Very high | 84.8 | Confident | 6 Ų | 6 | 60.4 Ų | 60.4 | 5% | 0.05 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -64.8 | -11.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113 | A42 Q47 L49 L61 E62 | A42-A59 HydrophobicContact CB-CB 3.99Å; Q47-A59 WeakPolarHBondContact O-CB 3.29Å; Q47-A59 PolarHBondContact O-N 3.5Å; L49-A59 HydrophobicContact CD1-CB 4.43Å; L49-A59 HydrophobicContact CD2-CB 4.46Å; L49-A59 HydrophobicContact CG-CB 4.08Å; A59-L61 PolarHBondContact O-N 2.77Å; A59-L61 VanDerWaalsContact O-N 3.07Å; A59-E62 WeakPolarHBondContact O-CG 3.37Å |
| 60 | M | 88 | Confident | 84.9 | Confident | 15 Ų | 15 | 62 Ų | 62 | 7% | 0.074 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -66.3 | -7.8 | 173.4 | -61.6 | -176.1 | -72.2 | 0 | 0 | 114.3 | P41 A42 T58 R288 T289 L457 P471 | P41-M60 HydrophobicContact CB-CG 4.06Å; P41-M60 HydrophobicContact CB-SD 3.81Å; P41-M60 HydrophobicContact CG-CG 4.11Å; P41-M60 HydrophobicContact CG-SD 3.48Å; P41-M60 WeakPolarHBondContact CG-SD 3.42Å; A42-M60 HydrophobicContact CB-CG 4.49Å; T58-M60 HydrophobicContact CG2-CB 4Å; T58-M60 HydrophobicContact CG2-CE 3.95Å; T58-M60 PolarHBondContact O-N 3.02Å; T58-M60 VanDerWaalsContact OG1-CE 3.24Å; T58-M60 WeakPolarHBondContact OG1-CE 3.5Å; T58-M60 WeakPolarHBondContact OG1-CG 3.32Å; T58-M60 PolarHBondContact OG1-N 3.44Å; T58-M60 VanDerWaalsContact OG1-N 3.11Å; M60-R288 PolarHBondContact O-NH2 3.05Å; M60-T289 HydrophobicContact CE-CG2 4.25Å; M60-L457 HydrophobicContact CE-CD2 3.79Å; M60-L457 HydrophobicContact SD-CD2 4.02Å; M60-P471 HydrophobicContact CE-CG 3.93Å |
| 61 | L | 82.8 | Confident | 85 | Confident | 21 Ų | 21 | 63.3 Ų | 63.3 | 11% | 0.11 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -113.2 | 35.8 | -178.6 | -66.2 | 179.9 | 0 | 0 | 0 | 113 | K57 T58 A59 D63 N64 P471 | K57-L61 HydrophobicContact CD-CB 4.23Å; K57-L61 WeakPolarHBondContact CE-O 3.42Å; K57-L61 PolarHBondContact NZ-O 2.93Å; T58-L61 HydrophobicContact CG2-CD1 4.12Å; T58-L61 HydrophobicContact CG2-CG 3.93Å; T58-L61 PolarHBondContact O-N 2.91Å; A59-L61 PolarHBondContact O-N 2.77Å; A59-L61 VanDerWaalsContact O-N 3.07Å; L61-D63 PolarHBondContact O-N 2.84Å; L61-D63 VanDerWaalsContact O-N 3.15Å; L61-N64 VanDerWaalsContact O-O 3.12Å; L61-P471 HydrophobicContact CD1-CB 4.26Å; L61-P471 WeakPolarHBondContact CD1-O 3.3Å; L61-P471 HydrophobicContact CD2-CB 4.23Å; L61-P471 HydrophobicContact CG-CB 4.36Å |
| 62 | E | 67.6 | Low | 85.1 | Confident | 138 Ų | 138 | 63.8 Ų | 63.8 | 65% | 0.645 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -35 | -176 | -86.9 | 171.2 | -171.3 | 0 | 0 | 114.2 | L49 A59 | L49-E62 HydrophobicContact CD1-CG 3.65Å; A59-E62 WeakPolarHBondContact O-CG 3.37Å |
| 63 | D | 60.8 | Low | 85.4 | Confident | 159 Ų | 159 | 63.3 Ų | 63.3 | 85% | 0.85 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -12.6 | -165.9 | -61.1 | -35.9 | 0 | 0 | 0 | 116.2 | L61 | L61-D63 PolarHBondContact O-N 2.84Å; L61-D63 VanDerWaalsContact O-N 3.15Å |
| 64 | N | 62.3 | Low | 85.8 | Confident | 76 Ų | 76 | 60.7 Ų | 60.7 | 41% | 0.406 | 32% | 0.316 | S | S | . | . | trans | -157.7 | 145.7 | 172.7 | 51 | 41.2 | 0 | 0 | 0 | 110.4 | K57 L61 N66 | K57-N64 PolarHBondContact NZ-O 2.92Å; K57-N64 VanDerWaalsContact NZ-O 3.09Å; L61-N64 VanDerWaalsContact O-O 3.12Å; N64-N66 HydrophobicContact CB-CB 4.16Å; N64-N66 PolarHBondContact O-N 3.37Å | ||
| 65 | N | 67.2 | Low | 86.2 | Confident | 96 Ų | 96 | 58 Ų | 58 | 51% | 0.513 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -75 | 22.8 | 169.2 | -73.1 | -27.1 | 0 | 0 | 0 | 111.7 | K57 L67 F474 | K57-N65 WeakPolarHBondContact CE-OD1 3.45Å; K57-N65 PolarHBondContact NZ-OD1 3.03Å; N65-L67 PolarHBondContact O-N 2.88Å; N65-F474 HydrophobicContact CB-CZ 4.47Å; N65-F474 WeakPolarHBondContact O-CZ 3.43Å |
| 66 | N | 82.2 | Confident | 86.4 | Confident | 110 Ų | 110 | 61.8 Ų | 61.8 | 59% | 0.588 | 31% | 0.305 | S | S | * | . | P | Polyproline II helix | trans | -87 | 117.3 | -178 | -65.4 | -16.9 | 0 | 0 | 0 | 108.3 | N64 | N64-N66 HydrophobicContact CB-CB 4.16Å; N64-N66 PolarHBondContact O-N 3.37Å |
| 67 | L | 91 | Very high | 86.6 | Confident | 39 Ų | 39 | 58.7 Ų | 58.7 | 20% | 0.204 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 144.1 | 172.9 | -62.1 | -179.1 | 0 | 0 | 0 | 110 | N65 P471 F474 | N65-L67 PolarHBondContact O-N 2.88Å; L67-P471 WeakPolarHBondContact CA-O 3.48Å; L67-F474 HydrophobicContact CD1-CD2 3.68Å; L67-F474 HydrophobicContact CD1-CE2 3.62Å; L67-F474 HydrophobicContact CD1-CZ 4.49Å; L67-F474 HydrophobicContact CD2-CD1 4.31Å; L67-F474 HydrophobicContact CD2-CD2 3.92Å; L67-F474 HydrophobicContact CD2-CE1 4.05Å; L67-F474 HydrophobicContact CD2-CE2 3.64Å; L67-F474 HydrophobicContact CD2-CG 4.25Å; L67-F474 HydrophobicContact CD2-CZ 3.69Å; L67-F474 HydrophobicContact CG-CD2 4.05Å; L67-F474 HydrophobicContact CG-CE2 3.56Å; L67-F474 HydrophobicContact CG-CZ 3.98Å |
| 68 | M | 91.6 | Very high | 86.8 | Confident | 33 Ų | 33 | 58.7 Ų | 58.7 | 16% | 0.163 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -80.7 | 120.4 | 179.4 | -173.1 | 179.3 | -177.1 | 0 | 0 | 110.5 | Y70 R71 A284 R288 P471 C472 | M68-Y70 WeakPolarHBondContact CE-O 3.27Å; M68-R71 VanDerWaalsContact CE-CA 3.44Å; M68-R71 HydrophobicContact CE-CB 3.63Å; M68-R71 HydrophobicContact CE-CG 4.21Å; M68-A284 HydrophobicContact CE-CB 4.03Å; M68-R288 HydrophobicContact CE-CB 4.18Å; M68-R288 HydrophobicContact SD-CB 3.71Å; M68-R288 HydrophobicContact SD-CG 3.98Å; M68-P471 HydrophobicContact CB-CB 3.96Å; M68-P471 PolarHBondContact N-O 2.97Å; M68-P471 HydrophobicContact SD-CB 4.22Å; M68-C472 WeakPolarHBondContact O-CB 3.23Å |
| 69 | S | 92.2 | Very high | 87 | Confident | 27 Ų | 27 | 60.5 Ų | 60.5 | 19% | 0.189 | 30% | 0.301 | C | S | . | . | trans | -99.1 | -29.6 | 171.2 | -56.3 | 0 | 0 | 0 | 0 | 113 | A281 T499 | S69-A281 WeakPolarHBondContact O-CA 3.33Å; S69-A281 PolarHBondContact O-N 3.48Å; S69-T499 VanDerWaalsContact OG-CG2 3.23Å; S69-T499 WeakPolarHBondContact OG-CG2 3.34Å; S69-T499 PolarHBondContact OG-OG1 3.09Å | ||
| 70 | Y | 94.6 | Very high | 87.3 | Confident | 60 Ų | 60 | 63.4 Ų | 63.4 | 24% | 0.235 | 31% | 0.313 | C | S | . | . | trans | -142.5 | 141.8 | -172.5 | -48.9 | -69.7 | 0 | 0 | 0 | 111.2 | M68 K76 P253 E277 V280 | M68-Y70 WeakPolarHBondContact CE-O 3.27Å; Y70-K76 HydrophobicContact CD1-CB 3.83Å; Y70-K76 HydrophobicContact CD1-CG 3.78Å; Y70-K76 HydrophobicContact CD2-CD 4.45Å; Y70-K76 HydrophobicContact CD2-CG 4.33Å; Y70-K76 HydrophobicContact CE1-CB 3.54Å; Y70-K76 HydrophobicContact CE1-CD 4.47Å; Y70-K76 HydrophobicContact CE1-CG 3.88Å; Y70-K76 WeakPolarHBondContact CE1-O 3.39Å; Y70-K76 HydrophobicContact CE2-CD 4.31Å; Y70-K76 HydrophobicContact CE2-CG 4.43Å; Y70-K76 HydrophobicContact CG-CG 4.01Å; Y70-P253 VanDerWaalsContact OH-CB 3.26Å; Y70-P253 WeakPolarHBondContact OH-CB 2.98Å; Y70-E277 HydrophobicContact CE1-CG 4.13Å; Y70-E277 VanDerWaalsContact CZ-OE1 3.28Å; Y70-E277 WeakPolarHBondContact OH-CG 3.34Å; Y70-E277 PolarHBondContact OH-OE1 2.76Å; Y70-V280 HydrophobicContact CD1-CG1 3.84Å; Y70-V280 HydrophobicContact CE1-CG1 4.37Å | ||
| 71 | R | 91 | Very high | 87.8 | Confident | 89 Ų | 89 | 63.4 Ų | 63.4 | 34% | 0.336 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -91.3 | -29.1 | 171.3 | 179.2 | 60.4 | -173.8 | 78.4 | -4.4 | 112.6 | M68 A284 E291 | M68-R71 VanDerWaalsContact CE-CA 3.44Å; M68-R71 HydrophobicContact CE-CB 3.63Å; M68-R71 HydrophobicContact CE-CG 4.21Å; R71-A284 HydrophobicContact CB-CB 3.8Å; R71-E291 IonicContact CZ-OE1 2.73Å; R71-E291 IonicContact NE-OE1 2.69Å; R71-E291 IonicContact NH2-OE1 2.85Å; R71-E291 PolarHBondContact NH2-OE1 3.25Å |
| 72 | Y | 92.4 | Very high | 88.5 | Confident | 49 Ų | 49 | 62.6 Ų | 62.6 | 19% | 0.192 | 31% | 0.309 | C | S | . | . | trans | -131 | 137.5 | -175.2 | -49.8 | -69.2 | 0 | 0 | 0 | 110 | D74 A75 R84 L287 | Y72-D74 WeakPolarHBondContact CB-OD1 3.44Å; Y72-D74 PolarHBondContact O-N 2.9Å; Y72-A75 HydrophobicContact CD2-CB 4.46Å; Y72-A75 PolarHBondContact O-N 3.5Å; Y72-R84 VanDerWaalsContact CD2-NE 3.26Å; Y72-R84 VanDerWaalsContact CE1-CZ 3.5Å; Y72-R84 VanDerWaalsContact CE2-NE 3.32Å; Y72-R84 VanDerWaalsContact CG-CZ 3.47Å; Y72-L287 HydrophobicContact CE2-CD1 4.32Å | ||
| 73 | N | 90.4 | Very high | 90 | Very high | 152 Ų | 152 | 58.9 Ų | 58.9 | 81% | 0.813 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -22.9 | -179.8 | -69 | -26.2 | 0 | 0 | 0 | 112.8 | ||
| 74 | D | 92 | Very high | 91.7 | Very high | 68 Ų | 68 | 53.5 Ų | 53.5 | 36% | 0.364 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 12.1 | -179.9 | 65.6 | -15.9 | 0 | 0 | 0 | 113.6 | Y72 R84 K87 | Y72-D74 WeakPolarHBondContact CB-OD1 3.44Å; Y72-D74 PolarHBondContact O-N 2.9Å; D74-R84 IonicContact OD1-NH1 3.33Å; D74-R84 PolarHBondContact OD1-NH1 3.41Å; D74-R84 IonicContact OD2-NH1 2.74Å; D74-K87 IonicContact OD2-NZ 2.75Å |
| 75 | A | 96.1 | Very high | 93.4 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 2% | 0.017 | 24% | 0.24 | C | C | . | . | trans | -145.1 | 80.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y72 V81 R84 | Y72-A75 HydrophobicContact CD2-CB 4.46Å; Y72-A75 PolarHBondContact O-N 3.5Å; A75-V81 HydrophobicContact CB-CG2 3.89Å; A75-R84 HydrophobicContact CB-CB 4.38Å | ||
| 76 | K | 97.8 | Very high | 94.9 | Very high | 83 Ų | 83 | 46.7 Ų | 46.7 | 36% | 0.361 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -107.1 | -17.8 | 179.6 | -59 | -174.7 | -178.8 | 179.7 | 0 | 113.3 | Y70 E80 P253 | Y70-K76 HydrophobicContact CD1-CB 3.83Å; Y70-K76 HydrophobicContact CD1-CG 3.78Å; Y70-K76 HydrophobicContact CD2-CD 4.45Å; Y70-K76 HydrophobicContact CD2-CG 4.33Å; Y70-K76 HydrophobicContact CE1-CB 3.54Å; Y70-K76 HydrophobicContact CE1-CD 4.47Å; Y70-K76 HydrophobicContact CE1-CG 3.88Å; Y70-K76 WeakPolarHBondContact CE1-O 3.39Å; Y70-K76 HydrophobicContact CE2-CD 4.31Å; Y70-K76 HydrophobicContact CE2-CG 4.43Å; Y70-K76 HydrophobicContact CG-CG 4.01Å; K76-E80 WeakPolarHBondContact CA-OE2 3.42Å; K76-E80 WeakPolarHBondContact CB-OE2 3.36Å; K76-E80 PolarHBondContact N-OE2 3.34Å; K76-P253 HydrophobicContact CB-CG 3.98Å |
| 77 | T | 98.6 | Very high | 95.6 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.012 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -117.8 | 162.8 | 170.5 | 68.1 | 0 | 0 | 0 | 0 | 111.7 | Y79 E80 V81 P251 P253 H276 | T77-Y79 PolarHBondContact O-N 3.34Å; T77-E80 PolarHBondContact N-OE2 2.85Å; T77-E80 PolarHBondContact O-N 2.69Å; T77-E80 VanDerWaalsContact O-N 3.08Å; T77-E80 VanDerWaalsContact OG1-CG 3.31Å; T77-E80 WeakPolarHBondContact OG1-CG 3.43Å; T77-E80 PolarHBondContact OG1-N 3.48Å; T77-E80 PolarHBondContact OG1-OE2 3.29Å; T77-V81 WeakPolarHBondContact O-CG2 2.93Å; T77-V81 PolarHBondContact O-N 3.2Å; T77-P251 HydrophobicContact CG2-CG 4.31Å; T77-P251 WeakPolarHBondContact CG2-O 3.31Å; T77-P253 HydrophobicContact CG2-CG 4.23Å; T77-H276 HydrophobicContact CG2-CB 4.23Å |
| 78 | L | 98.4 | Very high | 95.9 | Very high | 7 Ų | 7 | 49.7 Ų | 49.7 | 4% | 0.037 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.6 | -31.7 | 177.3 | -64.9 | 169.8 | 0 | 0 | 0 | 112.2 | F82 Y154 H276 V279 V280 T318 | L78-F82 PolarHBondContact O-N 3.24Å; L78-F82 VanDerWaalsContact O-N 3.15Å; L78-Y154 HydrophobicContact CB-CD2 3.69Å; L78-Y154 HydrophobicContact CB-CE2 3.53Å; L78-Y154 HydrophobicContact CB-CG 4.45Å; L78-Y154 HydrophobicContact CD1-CE1 4.23Å; L78-Y154 HydrophobicContact CD1-CE2 3.7Å; L78-Y154 WeakPolarHBondContact CD1-OH 3.42Å; L78-Y154 HydrophobicContact CG-CE2 4.24Å; L78-H276 PolarHBondContact N-ND1 2.85Å; L78-V279 HydrophobicContact CD1-CB 4.12Å; L78-V279 HydrophobicContact CD1-CG1 4.07Å; L78-V279 HydrophobicContact CD1-CG2 4.4Å; L78-V279 HydrophobicContact CD2-CB 4.07Å; L78-V279 HydrophobicContact CD2-CG1 3.64Å; L78-V279 HydrophobicContact CG-CB 4.42Å; L78-V279 HydrophobicContact CG-CG1 4.38Å; L78-V280 HydrophobicContact CD2-CG2 4Å; L78-V280 HydrophobicContact CG-CG2 4.32Å; L78-T318 HydrophobicContact CD2-CG2 3.64Å |
| 79 | Y | 98.3 | Very high | 96.2 | Very high | 39 Ų | 39 | 49.1 Ų | 49.1 | 15% | 0.153 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.9 | -51.9 | 169.4 | 175.3 | -93.9 | 0 | 0 | 0 | 110.7 | T77 V81 F82 Q83 T155 L250 | T77-Y79 PolarHBondContact O-N 3.34Å; Y79-V81 PolarHBondContact O-N 3.31Å; Y79-F82 WeakPolarHBondContact O-CB 3.45Å; Y79-F82 PolarHBondContact O-N 2.84Å; Y79-F82 VanDerWaalsContact O-N 3.15Å; Y79-Q83 HydrophobicContact CD1-CG 3.96Å; Y79-Q83 HydrophobicContact CE1-CG 3.51Å; Y79-Q83 HydrophobicContact CE2-CG 4.4Å; Y79-Q83 WeakPolarHBondContact O-CG 3.34Å; Y79-Q83 PolarHBondContact O-N 2.91Å; Y79-T155 HydrophobicContact CE2-CG2 4.29Å; Y79-L250 HydrophobicContact CD1-CD1 4.34Å; Y79-L250 HydrophobicContact CD1-CD2 3.84Å; Y79-L250 HydrophobicContact CD2-CD2 4.17Å; Y79-L250 HydrophobicContact CE1-CD1 3.84Å; Y79-L250 HydrophobicContact CE1-CD2 3.49Å; Y79-L250 VanDerWaalsContact CE1-CD2 3.49Å; Y79-L250 HydrophobicContact CE1-CG 4.28Å; Y79-L250 HydrophobicContact CE2-CD2 3.84Å; Y79-L250 HydrophobicContact CG-CD2 4.17Å; Y79-L250 VanDerWaalsContact CZ-CD2 3.48Å |
| 80 | E | 98.5 | Very high | 96.4 | Very high | 67 Ų | 67 | 51 Ų | 51 | 31% | 0.313 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.7 | -35.6 | -178.8 | -66.4 | 170.8 | 151.4 | 0 | 0 | 112.8 | K76 T77 F82 Q83 R84 | K76-E80 WeakPolarHBondContact CA-OE2 3.42Å; K76-E80 WeakPolarHBondContact CB-OE2 3.36Å; K76-E80 PolarHBondContact N-OE2 3.34Å; T77-E80 PolarHBondContact N-OE2 2.85Å; T77-E80 PolarHBondContact O-N 2.69Å; T77-E80 VanDerWaalsContact O-N 3.08Å; T77-E80 VanDerWaalsContact OG1-CG 3.31Å; T77-E80 WeakPolarHBondContact OG1-CG 3.43Å; T77-E80 PolarHBondContact OG1-N 3.48Å; T77-E80 PolarHBondContact OG1-OE2 3.29Å; E80-F82 VanDerWaalsContact C-N 3.27Å; E80-F82 PolarHBondContact O-N 3.35Å; E80-Q83 PolarHBondContact O-N 2.81Å; E80-R84 WeakPolarHBondContact O-CB 3.32Å; E80-R84 PolarHBondContact O-N 2.95Å |
| 81 | V | 98.3 | Very high | 96.6 | Very high | 14 Ų | 14 | 50.7 Ų | 50.7 | 9% | 0.085 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.2 | -43.1 | 171.4 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | A75 T77 Y79 R84 G85 V280 T318 | A75-V81 HydrophobicContact CB-CG2 3.89Å; T77-V81 WeakPolarHBondContact O-CG2 2.93Å; T77-V81 PolarHBondContact O-N 3.2Å; Y79-V81 PolarHBondContact O-N 3.31Å; V81-R84 WeakPolarHBondContact O-CB 3.45Å; V81-R84 PolarHBondContact O-N 3.11Å; V81-G85 PolarHBondContact O-N 3.01Å; V81-G85 VanDerWaalsContact O-N 3.12Å; V81-V280 HydrophobicContact CG2-CG1 4.36Å; V81-V280 HydrophobicContact CG2-CG2 3.93Å; V81-T318 HydrophobicContact CG1-CG2 4Å; V81-T318 WeakPolarHBondContact CG1-O 3.49Å |
| 82 | F | 98.3 | Very high | 96.9 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.018 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -68.5 | -40.4 | 176.2 | -164.9 | -92.5 | 0 | 0 | 0 | 112.3 | L78 Y79 E80 R84 G85 I86 Y109 V112 M151 Y321 | L78-F82 PolarHBondContact O-N 3.24Å; L78-F82 VanDerWaalsContact O-N 3.15Å; Y79-F82 WeakPolarHBondContact O-CB 3.45Å; Y79-F82 PolarHBondContact O-N 2.84Å; Y79-F82 VanDerWaalsContact O-N 3.15Å; E80-F82 VanDerWaalsContact C-N 3.27Å; E80-F82 PolarHBondContact O-N 3.35Å; F82-R84 VanDerWaalsContact C-N 3.29Å; F82-R84 PolarHBondContact O-N 2.57Å; F82-G85 WeakPolarHBondContact O-CA 3.32Å; F82-G85 PolarHBondContact O-N 2.89Å; F82-I86 HydrophobicContact CD1-CD1 4.27Å; F82-I86 HydrophobicContact CE1-CD1 4.34Å; F82-I86 HydrophobicContact CE1-CG1 4.39Å; F82-I86 PolarHBondContact O-N 3.18Å; F82-I86 VanDerWaalsContact O-N 3.1Å; F82-Y109 HydrophobicContact CD2-CE1 4.38Å; F82-Y109 AromaticContact CE1-CD1 3.94Å; F82-Y109 HydrophobicContact CE1-CD1 3.94Å; F82-Y109 AromaticContact CE2-CD1 3.93Å; F82-Y109 HydrophobicContact CE2-CD1 3.93Å; F82-Y109 AromaticContact CE2-CE1 3.97Å; F82-Y109 HydrophobicContact CE2-CE1 3.97Å; F82-Y109 AromaticContact CZ-CD1 3.6Å; F82-Y109 HydrophobicContact CZ-CD1 3.6Å; F82-Y109 HydrophobicContact CZ-CE1 4.12Å; F82-V112 HydrophobicContact CE1-CB 4.34Å; F82-V112 HydrophobicContact CE1-CG1 4.18Å; F82-V112 HydrophobicContact CE2-CG1 4.27Å; F82-V112 HydrophobicContact CZ-CB 3.84Å; F82-V112 HydrophobicContact CZ-CG1 3.55Å; F82-M151 HydrophobicContact CB-SD 3.73Å; F82-M151 HydrophobicContact CD1-SD 4.26Å; F82-M151 HydrophobicContact CD2-CG 4.33Å; F82-M151 HydrophobicContact CD2-SD 3.76Å; F82-M151 HydrophobicContact CE2-CG 4.48Å; F82-M151 HydrophobicContact CE2-SD 4.47Å; F82-M151 HydrophobicContact CG-CG 4.43Å; F82-M151 HydrophobicContact CG-SD 3.64Å; F82-Y321 HydrophobicContact CD2-CD2 4.38Å; F82-Y321 HydrophobicContact CD2-CG 4.17Å; F82-Y321 HydrophobicContact CE2-CD1 4.33Å; F82-Y321 HydrophobicContact CE2-CG 4.28Å |
| 83 | Q | 98.1 | Very high | 97.2 | Very high | 60 Ų | 60 | 47.1 Ų | 47.1 | 28% | 0.28 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.5 | -38.2 | 175 | -64.3 | -53.1 | -52.7 | 0 | 0 | 112.2 | Y79 E80 G85 I86 K87 | Y79-Q83 HydrophobicContact CD1-CG 3.96Å; Y79-Q83 HydrophobicContact CE1-CG 3.51Å; Y79-Q83 HydrophobicContact CE2-CG 4.4Å; Y79-Q83 WeakPolarHBondContact O-CG 3.34Å; Y79-Q83 PolarHBondContact O-N 2.91Å; E80-Q83 PolarHBondContact O-N 2.81Å; Q83-G85 VanDerWaalsContact C-N 3.32Å; Q83-G85 PolarHBondContact O-N 2.95Å; Q83-I86 WeakPolarHBondContact O-CB 3.47Å; Q83-I86 PolarHBondContact O-N 3.26Å; Q83-K87 PolarHBondContact O-N 2.77Å |
| 84 | R | 97.5 | Very high | 97.6 | Very high | 46 Ų | 46 | 39.9 Ų | 39.9 | 17% | 0.174 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.9 | -44.7 | 170.8 | 177.4 | -179.7 | 178.8 | 77.2 | 9.4 | 111.1 | Y72 D74 A75 E80 V81 F82 I86 K87 V88 | Y72-R84 VanDerWaalsContact CD2-NE 3.26Å; Y72-R84 VanDerWaalsContact CE1-CZ 3.5Å; Y72-R84 VanDerWaalsContact CE2-NE 3.32Å; Y72-R84 VanDerWaalsContact CG-CZ 3.47Å; D74-R84 IonicContact OD1-NH1 3.33Å; D74-R84 PolarHBondContact OD1-NH1 3.41Å; D74-R84 IonicContact OD2-NH1 2.74Å; A75-R84 HydrophobicContact CB-CB 4.38Å; E80-R84 WeakPolarHBondContact O-CB 3.32Å; E80-R84 PolarHBondContact O-N 2.95Å; V81-R84 WeakPolarHBondContact O-CB 3.45Å; V81-R84 PolarHBondContact O-N 3.11Å; F82-R84 VanDerWaalsContact C-N 3.29Å; F82-R84 PolarHBondContact O-N 2.57Å; R84-I86 VanDerWaalsContact C-N 3.32Å; R84-I86 PolarHBondContact O-N 2.92Å; R84-K87 PolarHBondContact O-N 3.06Å; R84-K87 VanDerWaalsContact O-N 3.09Å; R84-V88 HydrophobicContact CG-CG2 3.93Å; R84-V88 WeakPolarHBondContact O-CG2 3.24Å; R84-V88 PolarHBondContact O-N 2.9Å |
| 85 | G | 97.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -54.6 | -43 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | V81 F82 Q83 K87 S89 Y321 | V81-G85 PolarHBondContact O-N 3.01Å; V81-G85 VanDerWaalsContact O-N 3.12Å; F82-G85 WeakPolarHBondContact O-CA 3.32Å; F82-G85 PolarHBondContact O-N 2.89Å; Q83-G85 VanDerWaalsContact C-N 3.32Å; Q83-G85 PolarHBondContact O-N 2.95Å; G85-K87 PolarHBondContact O-N 3.01Å; G85-S89 WeakPolarHBondContact O-CB 3.46Å; G85-S89 PolarHBondContact O-N 3.35Å; G85-S89 PolarHBondContact O-OG 3.15Å; G85-Y321 WeakPolarHBondContact CA-O 3.36Å |
| 86 | I | 98.1 | Very high | 98 | Very high | 29 Ų | 29 | 36.5 Ų | 36.5 | 15% | 0.149 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57 | -49.3 | 173.6 | -64.1 | 161.1 | 0 | 0 | 0 | 110.6 | F82 Q83 R84 S89 G90 N91 Y109 | F82-I86 HydrophobicContact CD1-CD1 4.27Å; F82-I86 HydrophobicContact CE1-CD1 4.34Å; F82-I86 HydrophobicContact CE1-CG1 4.39Å; F82-I86 PolarHBondContact O-N 3.18Å; F82-I86 VanDerWaalsContact O-N 3.1Å; Q83-I86 WeakPolarHBondContact O-CB 3.47Å; Q83-I86 PolarHBondContact O-N 3.26Å; R84-I86 VanDerWaalsContact C-N 3.32Å; R84-I86 PolarHBondContact O-N 2.92Å; I86-S89 PolarHBondContact O-OG 3.01Å; I86-G90 PolarHBondContact O-N 2.88Å; I86-N91 PolarHBondContact O-N 2.66Å; I86-Y109 HydrophobicContact CG1-CD1 4.09Å; I86-Y109 HydrophobicContact CG1-CG 4.26Å |
| 87 | K | 97.8 | Very high | 98 | Very high | 151 Ų | 151 | 36.6 Ų | 36.6 | 66% | 0.657 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -66.2 | -47.6 | -177.5 | 177.8 | -178 | 169.5 | -172.7 | 0 | 112.1 | D74 Q83 R84 G85 G90 | D74-K87 IonicContact OD2-NZ 2.75Å; Q83-K87 PolarHBondContact O-N 2.77Å; R84-K87 PolarHBondContact O-N 3.06Å; R84-K87 VanDerWaalsContact O-N 3.09Å; G85-K87 PolarHBondContact O-N 3.01Å; K87-G90 PolarHBondContact O-N 3.38Å |
| 88 | V | 96.9 | Very high | 97.8 | Very high | 61 Ų | 61 | 37.5 Ų | 37.5 | 37% | 0.37 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -68.7 | -39.2 | -176.2 | 174.9 | 0 | 0 | 0 | 0 | 111.4 | R84 G90 P298 A323 | R84-V88 HydrophobicContact CG-CG2 3.93Å; R84-V88 WeakPolarHBondContact O-CG2 3.24Å; R84-V88 PolarHBondContact O-N 2.9Å; V88-G90 VanDerWaalsContact C-N 3.3Å; V88-G90 PolarHBondContact O-N 3.46Å; V88-P298 HydrophobicContact CG1-CG 3.93Å; V88-A323 WeakPolarHBondContact CG1-O 3.34Å |
| 89 | S | 97.4 | Very high | 97.3 | Very high | 22 Ų | 22 | 44.7 Ų | 44.7 | 15% | 0.154 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -77.6 | -12.4 | 178.6 | 67.8 | 0 | 0 | 0 | 0 | 114.2 | G85 I86 N91 G92 Y109 G324 | G85-S89 WeakPolarHBondContact O-CB 3.46Å; G85-S89 PolarHBondContact O-N 3.35Å; G85-S89 PolarHBondContact O-OG 3.15Å; I86-S89 PolarHBondContact O-OG 3.01Å; S89-N91 VanDerWaalsContact C-N 3.31Å; S89-N91 PolarHBondContact O-N 3.36Å; S89-N91 PolarHBondContact OG-N 3.46Å; S89-G92 PolarHBondContact O-N 3.5Å; S89-G92 PolarHBondContact OG-N 2.96Å; S89-G92 VanDerWaalsContact OG-N 3.08Å; S89-Y109 VanDerWaalsContact OG-CD2 3.3Å; S89-Y109 WeakPolarHBondContact OG-CD2 3.27Å; S89-G324 VanDerWaalsContact CB-O 3.24Å; S89-G324 WeakPolarHBondContact CB-O 3.44Å |
| 90 | G | 97.3 | Very high | 96.8 | Very high | 65 Ų | 65 | 47.4 Ų | 47.4 | 67% | 0.67 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61 | 39.5 | -168.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I86 K87 V88 | I86-G90 PolarHBondContact O-N 2.88Å; K87-G90 PolarHBondContact O-N 3.38Å; V88-G90 VanDerWaalsContact C-N 3.3Å; V88-G90 PolarHBondContact O-N 3.46Å |
| 91 | N | 97.7 | Very high | 96.3 | Very high | 54 Ų | 54 | 47.6 Ų | 47.6 | 29% | 0.289 | 27% | 0.274 | S | S | . | . | S | Bend | trans | 59.7 | 45.2 | -171.5 | -173.9 | 33.2 | 0 | 0 | 0 | 113.3 | I86 S89 K108 K110 | I86-N91 PolarHBondContact O-N 2.66Å; S89-N91 VanDerWaalsContact C-N 3.31Å; S89-N91 PolarHBondContact O-N 3.36Å; S89-N91 PolarHBondContact OG-N 3.46Å; N91-K108 WeakPolarHBondContact OD1-CB 3.18Å; N91-K110 WeakPolarHBondContact OD1-CB 3.3Å; N91-K110 PolarHBondContact OD1-N 3.32Å |
| 92 | G | 97.8 | Very high | 96.1 | Very high | 15 Ų | 15 | 53 Ų | 53 | 16% | 0.155 | 30% | 0.297 | C | S | . | . | trans | -69.9 | -179.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | S89 K108 Y109 | S89-G92 PolarHBondContact O-N 3.5Å; S89-G92 PolarHBondContact OG-N 2.96Å; S89-G92 VanDerWaalsContact OG-N 3.08Å; G92-K108 VanDerWaalsContact O-CA 3.28Å; G92-K108 WeakPolarHBondContact O-CA 3.47Å; G92-Y109 WeakPolarHBondContact O-CD2 3.49Å; G92-Y109 PolarHBondContact O-N 3.08Å; G92-Y109 VanDerWaalsContact O-N 3.13Å | ||
| 93 | P | 98.4 | Very high | 95.9 | Very high | 48 Ų | 48 | 57.3 Ų | 57.3 | 31% | 0.312 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 140.8 | 169.1 | -21 | 33.4 | 0 | 0 | 0 | 111.1 | W106 R326 | P93-W106 HydrophobicContact CB-CB 3.98Å; P93-W106 HydrophobicContact CB-CD2 4.05Å; P93-W106 HydrophobicContact CB-CE3 3.99Å; P93-W106 HydrophobicContact CB-CG 4.06Å; P93-R326 HydrophobicContact CB-CB 4.48Å; P93-R326 WeakPolarHBondContact O-CB 3.23Å |
| 94 | C | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | -63.8 | -175.5 | -177.3 | 0 | 0 | 0 | 0 | 111.8 | L107 Y109 V112 R326 V327 | C94-L107 WeakPolarHBondContact CA-O 3.12Å; C94-L107 WeakPolarHBondContact CB-O 3.31Å; C94-L107 PolarHBondContact N-O 3.45Å; C94-Y109 HydrophobicContact CB-CD1 4.12Å; C94-Y109 HydrophobicContact CB-CD2 3.57Å; C94-Y109 HydrophobicContact CB-CE1 4.35Å; C94-Y109 HydrophobicContact CB-CE2 3.8Å; C94-Y109 HydrophobicContact CB-CG 3.71Å; C94-V112 HydrophobicContact CB-CG2 4.26Å; C94-R326 WeakPolarHBondContact O-CA 3.27Å; C94-V327 PolarHBondContact O-N 3.49Å |
| 95 | L | 98.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 115.9 | -175.7 | -54.7 | -179.1 | 0 | 0 | 0 | 109.8 | W106 L107 V112 P144 I147 I148 Y321 F329 | L95-W106 WeakPolarHBondContact O-CA 3.5Å; L95-L107 HydrophobicContact CB-CB 4.32Å; L95-L107 HydrophobicContact CB-CD1 4.45Å; L95-L107 PolarHBondContact N-O 2.81Å; L95-L107 PolarHBondContact O-N 3.35Å; L95-V112 HydrophobicContact CB-CG2 4.45Å; L95-V112 HydrophobicContact CD1-CB 4.4Å; L95-V112 HydrophobicContact CD1-CG1 3.84Å; L95-V112 HydrophobicContact CD1-CG2 3.59Å; L95-V112 HydrophobicContact CG-CG2 3.77Å; L95-P144 HydrophobicContact CB-CB 4.04Å; L95-P144 HydrophobicContact CB-CG 4.43Å; L95-P144 HydrophobicContact CD1-CB 4.04Å; L95-I147 HydrophobicContact CD1-CB 3.93Å; L95-I147 HydrophobicContact CD1-CG2 4.11Å; L95-I147 HydrophobicContact CD2-CB 4.26Å; L95-I147 HydrophobicContact CD2-CG1 4.31Å; L95-I147 HydrophobicContact CD2-CG2 4.11Å; L95-I148 HydrophobicContact CD1-CG1 4.28Å; L95-Y321 HydrophobicContact CD2-CE1 3.76Å; L95-Y321 WeakPolarHBondContact CD2-OH 3.09Å; L95-F329 HydrophobicContact CB-CE2 4.12Å; L95-F329 HydrophobicContact CD2-CE2 3.96Å; L95-F329 HydrophobicContact CD2-CZ 4.31Å; L95-F329 HydrophobicContact CG-CE2 4.49Å |
| 96 | G | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 133.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q105 W106 V327 G328 F329 | G96-Q105 CarbonylContact C-O 3.56Å; G96-Q105 WeakPolarHBondContact CA-O 3.45Å; G96-W106 VanDerWaalsContact CA-CZ3 3.44Å; G96-W106 VanDerWaalsContact N-CE3 3.3Å; G96-V327 PolarHBondContact N-O 2.99Å; G96-G328 CarbonylContact O-C 3.47Å; G96-G328 WeakPolarHBondContact O-CA 3.24Å; G96-F329 VanDerWaalsContact O-CD2 3.27Å; G96-F329 WeakPolarHBondContact O-CD2 3.44Å; G96-F329 PolarHBondContact O-N 2.96Å |
| 97 | Y | 96.9 | Very high | 96 | Very high | 85 Ų | 85 | 62 Ų | 62 | 33% | 0.333 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 160 | 171.7 | 64.3 | -83.7 | 0 | 0 | 0 | 110.4 | Y104 Q105 P144 | Y97-Y104 WeakPolarHBondContact O-CA 3.41Å; Y97-Q105 HydrophobicContact CE1-CB 4.12Å; Y97-Q105 HydrophobicContact CE2-CB 4.15Å; Y97-Q105 PolarHBondContact N-O 2.98Å; Y97-Q105 PolarHBondContact O-N 3.5Å; Y97-Q105 PolarHBondContact OH-OE1 3.07Å; Y97-P144 HydrophobicContact CD1-CG 3.69Å; Y97-P144 HydrophobicContact CG-CG 4.05Å |
| 98 | R | 94 | Very high | 96 | Very high | 21 Ų | 21 | 59.9 Ų | 59.9 | 8% | 0.079 | 34% | 0.336 | C | S | . | . | trans | -146.6 | 154.7 | 175.9 | 65.6 | -177.3 | -72.1 | -130.1 | 2.8 | 112.5 | K102 Y104 Q331 D339 D340 | R98-K102 VanDerWaalsContact CZ-O 3.31Å; R98-K102 PolarHBondContact NE-O 2.85Å; R98-K102 PolarHBondContact NH2-O 3.42Å; R98-K102 VanDerWaalsContact NH2-O 3.1Å; R98-Y104 HydrophobicContact CB-CD1 4.31Å; R98-Y104 HydrophobicContact CB-CD2 4.48Å; R98-Y104 HydrophobicContact CB-CE1 4.47Å; R98-Y104 HydrophobicContact CB-CG 4.3Å; R98-Y104 HydrophobicContact CG-CD1 4.41Å; R98-Y104 HydrophobicContact CG-CD2 4.34Å; R98-Y104 HydrophobicContact CG-CE1 4.1Å; R98-Y104 HydrophobicContact CG-CE2 4.01Å; R98-Q331 HydrophobicContact CG-CG 3.91Å; R98-Q331 VanDerWaalsContact CZ-OE1 3.29Å; R98-Q331 VanDerWaalsContact NH1-OE1 3.15Å; R98-D339 IonicContact CZ-OD2 3.52Å; R98-D339 VanDerWaalsContact CZ-OD2 3.29Å; R98-D339 IonicContact NH1-OD2 3.29Å; R98-D339 PolarHBondContact NH1-OD2 2.88Å; R98-D339 IonicContact NH2-OD2 3.41Å; R98-D339 PolarHBondContact NH2-OD2 3.2Å; R98-D340 WeakPolarHBondContact CD-OD1 3.28Å; R98-D340 IonicContact CZ-OD1 2.74Å; R98-D340 IonicContact NE-OD1 3.31Å; R98-D340 IonicContact NH1-OD1 2.77Å; R98-D340 PolarHBondContact NH1-OD1 3.07Å | ||
| 99 | K | 88.6 | Confident | 96.1 | Very high | 158 Ų | 158 | 57 Ų | 57 | 69% | 0.687 | 32% | 0.318 | S | S | * | . | trans | -92.8 | 156.9 | 165.9 | -67.9 | -174.4 | 178.3 | -176.5 | 0 | 109.6 | G101 K102 | K99-G101 PolarHBondContact O-N 3.39Å; K99-K102 HydrophobicContact CB-CB 4.45Å; K99-K102 HydrophobicContact CB-CG 4.27Å; K99-K102 WeakPolarHBondContact O-CB 3.43Å; K99-K102 PolarHBondContact O-N 3.05Å | ||
| 100 | P | 87.4 | Confident | 96.2 | Very high | 95 Ų | 95 | 60.4 Ų | 60.4 | 62% | 0.617 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.7 | 130.3 | 176 | -24.1 | 28.3 | 0 | 0 | 0 | 112.9 | K102 Q331 | P100-K102 PolarHBondContact O-N 3.3Å; P100-Q331 VanDerWaalsContact CG-NE2 3.31Å |
| 101 | G | 88 | Confident | 96.2 | Very high | 71 Ų | 71 | 61.7 Ų | 61.7 | 73% | 0.732 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.4 | 9.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | K99 | K99-G101 PolarHBondContact O-N 3.39Š|
| 102 | K | 93.9 | Very high | 96.3 | Very high | 129 Ų | 129 | 59.1 Ų | 59.1 | 56% | 0.561 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -112.3 | 156 | 177 | -60.3 | -60.4 | -178.5 | -177.5 | 0 | 111.2 | R98 K99 P100 | R98-K102 VanDerWaalsContact CZ-O 3.31Å; R98-K102 PolarHBondContact NE-O 2.85Å; R98-K102 PolarHBondContact NH2-O 3.42Å; R98-K102 VanDerWaalsContact NH2-O 3.1Å; K99-K102 HydrophobicContact CB-CB 4.45Å; K99-K102 HydrophobicContact CB-CG 4.27Å; K99-K102 WeakPolarHBondContact O-CB 3.43Å; K99-K102 PolarHBondContact O-N 3.05Å; P100-K102 PolarHBondContact O-N 3.3Å |
| 103 | P | 95.8 | Very high | 96.3 | Very high | 93 Ų | 93 | 59.1 Ų | 59.1 | 60% | 0.604 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -68.7 | 163.9 | 172.7 | 29.5 | -35.5 | 0 | 0 | 0 | 111.8 | ||
| 104 | Y | 97.4 | Very high | 96.3 | Very high | 25 Ų | 25 | 58.5 Ų | 58.5 | 10% | 0.098 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 131.9 | 171 | -86.5 | -88.2 | 0 | 0 | 0 | 111.9 | Y97 R98 W106 F329 I343 L344 | Y97-Y104 WeakPolarHBondContact O-CA 3.41Å; R98-Y104 HydrophobicContact CB-CD1 4.31Å; R98-Y104 HydrophobicContact CB-CD2 4.48Å; R98-Y104 HydrophobicContact CB-CE1 4.47Å; R98-Y104 HydrophobicContact CB-CG 4.3Å; R98-Y104 HydrophobicContact CG-CD1 4.41Å; R98-Y104 HydrophobicContact CG-CD2 4.34Å; R98-Y104 HydrophobicContact CG-CE1 4.1Å; R98-Y104 HydrophobicContact CG-CE2 4.01Å; Y104-W106 HydrophobicContact CD1-CZ2 4.44Å; Y104-W106 HydrophobicContact CG-CZ2 4.35Å; Y104-F329 VanDerWaalsContact CE1-O 3.23Å; Y104-F329 WeakPolarHBondContact CE1-O 3.32Å; Y104-F329 PolarHBondContact OH-O 2.88Å; Y104-I343 HydrophobicContact CD2-CG2 4.05Å; Y104-I343 HydrophobicContact CE2-CG2 4.44Å; Y104-L344 HydrophobicContact CD1-CD1 4.17Å; Y104-L344 HydrophobicContact CD2-CB 4.14Å; Y104-L344 HydrophobicContact CD2-CD1 3.8Å; Y104-L344 HydrophobicContact CE1-CD1 4.1Å; Y104-L344 HydrophobicContact CE2-CB 3.54Å; Y104-L344 HydrophobicContact CE2-CD1 3.74Å; Y104-L344 HydrophobicContact CE2-CD2 4.5Å; Y104-L344 HydrophobicContact CE2-CG 4.11Å; Y104-L344 HydrophobicContact CG-CD1 4.04Å |
| 105 | Q | 97.8 | Very high | 96.3 | Very high | 108 Ų | 108 | 61.2 Ų | 61.2 | 51% | 0.505 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 141 | 167.8 | -62.5 | -177.3 | -3 | 0 | 0 | 108.7 | G96 Y97 | G96-Q105 CarbonylContact C-O 3.56Å; G96-Q105 WeakPolarHBondContact CA-O 3.45Å; Y97-Q105 HydrophobicContact CE1-CB 4.12Å; Y97-Q105 HydrophobicContact CE2-CB 4.15Å; Y97-Q105 PolarHBondContact N-O 2.98Å; Y97-Q105 PolarHBondContact O-N 3.5Å; Y97-Q105 PolarHBondContact OH-OE1 3.07Å |
| 106 | W | 98.4 | Very high | 96.3 | Very high | 78 Ų | 78 | 61.2 Ų | 61.2 | 30% | 0.295 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 128.9 | -170.8 | -64.7 | 91.6 | 0 | 0 | 0 | 112.2 | P93 L95 G96 Y104 V301 R326 V327 L344 | P93-W106 HydrophobicContact CB-CB 3.98Å; P93-W106 HydrophobicContact CB-CD2 4.05Å; P93-W106 HydrophobicContact CB-CE3 3.99Å; P93-W106 HydrophobicContact CB-CG 4.06Å; L95-W106 WeakPolarHBondContact O-CA 3.5Å; G96-W106 VanDerWaalsContact CA-CZ3 3.44Å; G96-W106 VanDerWaalsContact N-CE3 3.3Å; Y104-W106 HydrophobicContact CD1-CZ2 4.44Å; Y104-W106 HydrophobicContact CG-CZ2 4.35Å; W106-V301 HydrophobicContact CH2-CG2 3.99Å; W106-R326 HydrophobicContact CE3-CB 4.11Å; W106-R326 HydrophobicContact CE3-CG 4.31Å; W106-R326 HydrophobicContact CH2-CB 4.15Å; W106-R326 HydrophobicContact CH2-CG 3.63Å; W106-R326 HydrophobicContact CZ2-CG 4.44Å; W106-R326 HydrophobicContact CZ3-CB 3.53Å; W106-R326 HydrophobicContact CZ3-CG 3.55Å; W106-V327 WeakPolarHBondContact CZ3-O 3.46Å; W106-L344 HydrophobicContact CH2-CD1 3.81Å; W106-L344 HydrophobicContact CZ2-CD1 3.73Å |
| 107 | L | 98.7 | Very high | 96.4 | Very high | 23 Ų | 23 | 63.8 Ų | 63.8 | 12% | 0.12 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 135.7 | 161.2 | -58.4 | 178 | 0 | 0 | 0 | 109 | C94 L95 V112 P144 I148 | C94-L107 WeakPolarHBondContact CA-O 3.12Å; C94-L107 WeakPolarHBondContact CB-O 3.31Å; C94-L107 PolarHBondContact N-O 3.45Å; L95-L107 HydrophobicContact CB-CB 4.32Å; L95-L107 HydrophobicContact CB-CD1 4.45Å; L95-L107 PolarHBondContact N-O 2.81Å; L95-L107 PolarHBondContact O-N 3.35Å; L107-V112 HydrophobicContact CB-CG2 3.88Å; L107-V112 HydrophobicContact CD1-CG2 4.37Å; L107-P144 HydrophobicContact CD1-CB 4.14Å; L107-I148 HydrophobicContact CD1-CD1 4.07Å |
| 108 | K | 98.8 | Very high | 96.4 | Very high | 107 Ų | 107 | 62.4 Ų | 62.4 | 47% | 0.465 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 155.4 | 171.2 | -61.6 | -177.1 | 177.6 | -175 | 0 | 111.2 | N91 G92 K110 Q111 V112 | N91-K108 WeakPolarHBondContact OD1-CB 3.18Å; G92-K108 VanDerWaalsContact O-CA 3.28Å; G92-K108 WeakPolarHBondContact O-CA 3.47Å; K108-K110 VanDerWaalsContact C-N 3.3Å; K108-K110 PolarHBondContact O-N 3Å; K108-Q111 HydrophobicContact CB-CG 4.3Å; K108-Q111 WeakPolarHBondContact O-CB 3.39Å; K108-Q111 PolarHBondContact O-N 3.28Å; K108-V112 WeakPolarHBondContact O-CG2 3.34Å; K108-V112 PolarHBondContact O-N 3.25Å; K108-V112 VanDerWaalsContact O-N 3.07Å |
| 109 | Y | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -50.7 | -45.1 | 178.5 | -88.1 | -87.9 | 0 | 0 | 0 | 113.9 | F82 I86 S89 G92 C94 Q111 V112 S113 Y321 G324 A325 | F82-Y109 HydrophobicContact CD2-CE1 4.38Å; F82-Y109 AromaticContact CE1-CD1 3.94Å; F82-Y109 HydrophobicContact CE1-CD1 3.94Å; F82-Y109 AromaticContact CE2-CD1 3.93Å; F82-Y109 HydrophobicContact CE2-CD1 3.93Å; F82-Y109 AromaticContact CE2-CE1 3.97Å; F82-Y109 HydrophobicContact CE2-CE1 3.97Å; F82-Y109 AromaticContact CZ-CD1 3.6Å; F82-Y109 HydrophobicContact CZ-CD1 3.6Å; F82-Y109 HydrophobicContact CZ-CE1 4.12Å; I86-Y109 HydrophobicContact CG1-CD1 4.09Å; I86-Y109 HydrophobicContact CG1-CG 4.26Å; S89-Y109 VanDerWaalsContact OG-CD2 3.3Å; S89-Y109 WeakPolarHBondContact OG-CD2 3.27Å; G92-Y109 WeakPolarHBondContact O-CD2 3.49Å; G92-Y109 PolarHBondContact O-N 3.08Å; G92-Y109 VanDerWaalsContact O-N 3.13Å; C94-Y109 HydrophobicContact CB-CD1 4.12Å; C94-Y109 HydrophobicContact CB-CD2 3.57Å; C94-Y109 HydrophobicContact CB-CE1 4.35Å; C94-Y109 HydrophobicContact CB-CE2 3.8Å; C94-Y109 HydrophobicContact CB-CG 3.71Å; Y109-Q111 PolarHBondContact O-N 3.39Å; Y109-V112 WeakPolarHBondContact O-CB 3.43Å; Y109-V112 PolarHBondContact O-N 2.88Å; Y109-S113 PolarHBondContact O-N 2.96Å; Y109-Y321 HydrophobicContact CE1-CD1 4.36Å; Y109-Y321 WeakPolarHBondContact OH-CA 3.45Å; Y109-Y321 PolarHBondContact OH-O 2.85Å; Y109-G324 VanDerWaalsContact OH-C 3.3Å; Y109-G324 WeakPolarHBondContact OH-CA 3.34Å; Y109-A325 WeakPolarHBondContact CE2-O 3.48Å; Y109-A325 VanDerWaalsContact CZ-O 3.32Å; Y109-A325 PolarHBondContact OH-N 3.2Å; Y109-A325 PolarHBondContact OH-O 3.1Å |
| 110 | K | 98.5 | Very high | 97.2 | Very high | 94 Ų | 94 | 53.9 Ų | 53.9 | 41% | 0.409 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.6 | -37 | 178.2 | -174.6 | 60.6 | 165.9 | 72.8 | 0 | 112.3 | N91 K108 V112 S113 D114 | N91-K110 WeakPolarHBondContact OD1-CB 3.3Å; N91-K110 PolarHBondContact OD1-N 3.32Å; K108-K110 VanDerWaalsContact C-N 3.3Å; K108-K110 PolarHBondContact O-N 3Å; K110-V112 VanDerWaalsContact C-N 3.31Å; K110-V112 PolarHBondContact O-N 3.26Å; K110-S113 PolarHBondContact O-N 3.32Å; K110-D114 IonicContact NZ-OD1 3.64Å; K110-D114 PolarHBondContact NZ-OD1 3.1Å; K110-D114 IonicContact NZ-OD2 3.12Å; K110-D114 PolarHBondContact NZ-OD2 3.27Å; K110-D114 WeakPolarHBondContact O-CB 3.26Å; K110-D114 PolarHBondContact O-N 3.07Å |
| 111 | Q | 98.6 | Very high | 97.7 | Very high | 92 Ų | 92 | 49.4 Ų | 49.4 | 43% | 0.43 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.2 | -40 | 176.1 | -65.6 | 174.6 | -63.2 | 0 | 0 | 110.9 | K108 Y109 D114 R115 | K108-Q111 HydrophobicContact CB-CG 4.3Å; K108-Q111 WeakPolarHBondContact O-CB 3.39Å; K108-Q111 PolarHBondContact O-N 3.28Å; Y109-Q111 PolarHBondContact O-N 3.39Å; Q111-D114 PolarHBondContact O-N 3.38Å; Q111-R115 WeakPolarHBondContact O-CB 3.46Å; Q111-R115 VanDerWaalsContact O-CG 3.31Å; Q111-R115 WeakPolarHBondContact O-CG 3.35Å; Q111-R115 PolarHBondContact O-N 2.82Å |
| 112 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.3 | -47.2 | 175.1 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | F82 C94 L95 L107 K108 Y109 K110 D114 R115 A116 I148 | F82-V112 HydrophobicContact CE1-CB 4.34Å; F82-V112 HydrophobicContact CE1-CG1 4.18Å; F82-V112 HydrophobicContact CE2-CG1 4.27Å; F82-V112 HydrophobicContact CZ-CB 3.84Å; F82-V112 HydrophobicContact CZ-CG1 3.55Å; C94-V112 HydrophobicContact CB-CG2 4.26Å; L95-V112 HydrophobicContact CB-CG2 4.45Å; L95-V112 HydrophobicContact CD1-CB 4.4Å; L95-V112 HydrophobicContact CD1-CG1 3.84Å; L95-V112 HydrophobicContact CD1-CG2 3.59Å; L95-V112 HydrophobicContact CG-CG2 3.77Å; L107-V112 HydrophobicContact CB-CG2 3.88Å; L107-V112 HydrophobicContact CD1-CG2 4.37Å; K108-V112 WeakPolarHBondContact O-CG2 3.34Å; K108-V112 PolarHBondContact O-N 3.25Å; K108-V112 VanDerWaalsContact O-N 3.07Å; Y109-V112 WeakPolarHBondContact O-CB 3.43Å; Y109-V112 PolarHBondContact O-N 2.88Å; K110-V112 VanDerWaalsContact C-N 3.31Å; K110-V112 PolarHBondContact O-N 3.26Å; V112-D114 VanDerWaalsContact C-N 3.31Å; V112-D114 PolarHBondContact O-N 3.31Å; V112-R115 PolarHBondContact O-N 3.29Å; V112-A116 WeakPolarHBondContact O-CB 3.41Å; V112-A116 PolarHBondContact O-N 3.02Å; V112-I148 HydrophobicContact CG1-CG1 4.02Å |
| 113 | S | 98.6 | Very high | 98.4 | Very high | 15 Ų | 15 | 39.9 Ų | 39.9 | 11% | 0.105 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.2 | -39.5 | 176.9 | -170.2 | 0 | 0 | 0 | 0 | 112.5 | Y109 K110 A116 Q117 | Y109-S113 PolarHBondContact O-N 2.96Å; K110-S113 PolarHBondContact O-N 3.32Å; S113-A116 PolarHBondContact O-N 3.49Å; S113-Q117 PolarHBondContact O-N 2.92Å |
| 114 | D | 98.6 | Very high | 98.5 | Very high | 34 Ų | 34 | 36.8 Ų | 36.8 | 18% | 0.182 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.9 | -47.2 | 179.2 | -71 | -15.6 | 0 | 0 | 0 | 111.2 | K110 Q111 V112 A116 Q117 Y118 | K110-D114 IonicContact NZ-OD1 3.64Å; K110-D114 PolarHBondContact NZ-OD1 3.1Å; K110-D114 IonicContact NZ-OD2 3.12Å; K110-D114 PolarHBondContact NZ-OD2 3.27Å; K110-D114 WeakPolarHBondContact O-CB 3.26Å; K110-D114 PolarHBondContact O-N 3.07Å; Q111-D114 PolarHBondContact O-N 3.38Å; V112-D114 VanDerWaalsContact C-N 3.31Å; V112-D114 PolarHBondContact O-N 3.31Å; D114-A116 VanDerWaalsContact C-N 3.29Å; D114-A116 PolarHBondContact O-N 3.09Å; D114-Q117 PolarHBondContact O-N 3.48Å; D114-Q117 VanDerWaalsContact O-N 3.15Å; D114-Y118 HydrophobicContact CB-CE2 3.95Å; D114-Y118 WeakPolarHBondContact O-CD1 3.23Å; D114-Y118 VanDerWaalsContact O-CD2 3.23Å; D114-Y118 WeakPolarHBondContact O-CD2 3.48Å; D114-Y118 PolarHBondContact O-N 3.33Å |
| 115 | R | 98.8 | Very high | 98.5 | Very high | 58 Ų | 58 | 40.3 Ų | 40.3 | 22% | 0.219 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.6 | -40 | 174.6 | -71.6 | -174.3 | 67.6 | -166 | -5.8 | 112 | Q111 V112 Y118 L119 I148 E238 | Q111-R115 WeakPolarHBondContact O-CB 3.46Å; Q111-R115 VanDerWaalsContact O-CG 3.31Å; Q111-R115 WeakPolarHBondContact O-CG 3.35Å; Q111-R115 PolarHBondContact O-N 2.82Å; V112-R115 PolarHBondContact O-N 3.29Å; R115-Y118 PolarHBondContact O-N 3.25Å; R115-L119 WeakPolarHBondContact O-CB 3.16Å; R115-L119 PolarHBondContact O-N 3.25Å; R115-I148 HydrophobicContact CB-CD1 4.28Å; R115-I148 HydrophobicContact CB-CG2 3.78Å; R115-E238 WeakPolarHBondContact CG-OE2 3.48Å; R115-E238 IonicContact CZ-OE1 3.9Å; R115-E238 IonicContact CZ-OE2 3.37Å; R115-E238 IonicContact NE-OE1 2.62Å; R115-E238 PolarHBondContact NE-OE1 2.9Å; R115-E238 IonicContact NE-OE2 2.67Å; R115-E238 PolarHBondContact NE-OE2 2.73Å; R115-E238 IonicContact NH2-OE1 3.62Å; R115-E238 PolarHBondContact NH2-OE1 3.26Å; R115-E238 IonicContact NH2-OE2 2.82Å |
| 116 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.1 | -42.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V112 S113 D114 G120 M151 A152 | V112-A116 WeakPolarHBondContact O-CB 3.41Å; V112-A116 PolarHBondContact O-N 3.02Å; S113-A116 PolarHBondContact O-N 3.49Å; D114-A116 VanDerWaalsContact C-N 3.29Å; D114-A116 PolarHBondContact O-N 3.09Å; A116-G120 PolarHBondContact O-N 2.76Å; A116-M151 HydrophobicContact CB-CB 3.57Å; A116-A152 HydrophobicContact CB-CB 4.38Å; A116-A152 WeakPolarHBondContact O-CA 3.33Å; A116-A152 VanDerWaalsContact O-CB 3.23Å; A116-A152 WeakPolarHBondContact O-CB 3.09Å |
| 117 | Q | 98.7 | Very high | 98.3 | Very high | 54 Ų | 54 | 38.2 Ų | 38.2 | 25% | 0.252 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -66.8 | -39.5 | 176.5 | -170.4 | 177.7 | 4.6 | 0 | 0 | 112.2 | S113 D114 S121 Y156 L245 | S113-Q117 PolarHBondContact O-N 2.92Å; D114-Q117 PolarHBondContact O-N 3.48Å; D114-Q117 VanDerWaalsContact O-N 3.15Å; Q117-S121 WeakPolarHBondContact O-CB 3.2Å; Q117-S121 PolarHBondContact O-N 2.74Å; Q117-S121 PolarHBondContact O-OG 3.38Å; Q117-Y156 WeakPolarHBondContact CG-OH 3.42Å; Q117-Y156 PolarHBondContact O-OH 2.99Å; Q117-L245 HydrophobicContact CG-CD2 4.39Å |
| 118 | Y | 98.8 | Very high | 98.2 | Very high | 56 Ų | 56 | 38.2 Ų | 38.2 | 22% | 0.22 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.2 | -54.7 | 175.2 | -59.1 | -25.3 | 0 | 0 | 0 | 110.8 | D114 R115 G120 S121 G122 E238 G241 K242 L245 | D114-Y118 HydrophobicContact CB-CE2 3.95Å; D114-Y118 WeakPolarHBondContact O-CD1 3.23Å; D114-Y118 VanDerWaalsContact O-CD2 3.23Å; D114-Y118 WeakPolarHBondContact O-CD2 3.48Å; D114-Y118 PolarHBondContact O-N 3.33Å; R115-Y118 PolarHBondContact O-N 3.25Å; Y118-G120 VanDerWaalsContact C-N 3.34Å; Y118-G120 PolarHBondContact O-N 2.75Å; Y118-S121 PolarHBondContact O-N 2.94Å; Y118-G122 PolarHBondContact O-N 3.13Å; Y118-E238 WeakPolarHBondContact CB-O 3.33Å; Y118-G241 VanDerWaalsContact O-CA 3.32Å; Y118-G241 WeakPolarHBondContact O-CA 3.23Å; Y118-K242 HydrophobicContact CD1-CB 3.88Å; Y118-K242 HydrophobicContact CD1-CG 4.1Å; Y118-K242 HydrophobicContact CD2-CB 4.42Å; Y118-K242 HydrophobicContact CD2-CD 4.49Å; Y118-K242 HydrophobicContact CE1-CB 4.3Å; Y118-K242 HydrophobicContact CE1-CG 4Å; Y118-K242 HydrophobicContact CE2-CD 4.26Å; Y118-K242 HydrophobicContact CG-CB 3.97Å; Y118-K242 HydrophobicContact CG-CG 4.43Å; Y118-L245 HydrophobicContact CD1-CD2 3.74Å; Y118-L245 HydrophobicContact CE1-CD2 4.04Å |
| 119 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -56.4 | -49.2 | 178.2 | -180 | 64.2 | 0 | 0 | 0 | 111.4 | R115 S121 G122 L123 I148 A152 L185 M234 L237 E238 | R115-L119 WeakPolarHBondContact O-CB 3.16Å; R115-L119 PolarHBondContact O-N 3.25Å; L119-S121 VanDerWaalsContact C-N 3.33Å; L119-S121 PolarHBondContact O-N 2.7Å; L119-G122 CarbonylContact O-C 3.52Å; L119-G122 WeakPolarHBondContact O-CA 3.36Å; L119-G122 PolarHBondContact O-N 3.09Å; L119-L123 HydrophobicContact CG-CD1 4.3Å; L119-L123 HydrophobicContact CG-CG 4.44Å; L119-L123 WeakPolarHBondContact O-CG 3.48Å; L119-L123 PolarHBondContact O-N 2.97Å; L119-I148 HydrophobicContact CD2-CG2 4.32Å; L119-A152 HydrophobicContact CB-CB 3.98Å; L119-A152 HydrophobicContact CD2-CB 3.75Å; L119-A152 HydrophobicContact CG-CB 3.98Å; L119-L185 HydrophobicContact CD2-CD1 4.23Å; L119-M234 HydrophobicContact CD1-CE 4.48Å; L119-M234 HydrophobicContact CD1-CG 3.96Å; L119-M234 HydrophobicContact CD2-CE 3.4Å; L119-M234 HydrophobicContact CG-CE 4.49Å; L119-L237 HydrophobicContact CD1-CB 4Å; L119-L237 HydrophobicContact CD1-CD1 4.45Å; L119-E238 HydrophobicContact CB-CG 3.87Å; L119-E238 HydrophobicContact CD1-CG 4.32Å |
| 120 | G | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.9 | -39.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A116 Y118 G122 L123 L124 Y156 | A116-G120 PolarHBondContact O-N 2.76Å; Y118-G120 VanDerWaalsContact C-N 3.34Å; Y118-G120 PolarHBondContact O-N 2.75Å; G120-G122 VanDerWaalsContact C-N 3.3Å; G120-G122 PolarHBondContact O-N 2.94Å; G120-L123 WeakPolarHBondContact O-CB 3.48Å; G120-L123 PolarHBondContact O-N 2.78Å; G120-L124 WeakPolarHBondContact O-CG 3.44Å; G120-L124 PolarHBondContact O-N 3.27Å; G120-Y156 VanDerWaalsContact C-CE2 3.45Å; G120-Y156 VanDerWaalsContact CA-CE2 3.43Å |
| 121 | S | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.5 | -39.6 | 172.2 | -56.9 | 0 | 0 | 0 | 0 | 111.8 | Q117 Y118 L119 L124 H125 Y156 G241 Q246 | Q117-S121 WeakPolarHBondContact O-CB 3.2Å; Q117-S121 PolarHBondContact O-N 2.74Å; Q117-S121 PolarHBondContact O-OG 3.38Å; Y118-S121 PolarHBondContact O-N 2.94Å; L119-S121 VanDerWaalsContact C-N 3.33Å; L119-S121 PolarHBondContact O-N 2.7Å; S121-L124 PolarHBondContact O-N 3.36Å; S121-H125 PolarHBondContact O-N 3.42Å; S121-Y156 PolarHBondContact OG-OH 3.47Å; S121-G241 WeakPolarHBondContact CB-O 3.3Å; S121-Q246 PolarHBondContact OG-N 2.74Å; S121-Q246 VanDerWaalsContact OG-N 3.08Å |
| 122 | G | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.2 | -40.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y118 L119 G120 H125 K126 G241 | Y118-G122 PolarHBondContact O-N 3.13Å; L119-G122 CarbonylContact O-C 3.52Å; L119-G122 WeakPolarHBondContact O-CA 3.36Å; L119-G122 PolarHBondContact O-N 3.09Å; G120-G122 VanDerWaalsContact C-N 3.3Å; G120-G122 PolarHBondContact O-N 2.94Å; G122-H125 PolarHBondContact O-N 3.44Å; G122-K126 PolarHBondContact O-N 3Å; G122-G241 VanDerWaalsContact N-CA 3.33Å |
| 123 | L | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.6 | -44.6 | 174.1 | -67.1 | 174.9 | 0 | 0 | 0 | 111.5 | L119 G120 H125 K126 L128 M158 M183 L185 L237 | L119-L123 HydrophobicContact CG-CD1 4.3Å; L119-L123 HydrophobicContact CG-CG 4.44Å; L119-L123 WeakPolarHBondContact O-CG 3.48Å; L119-L123 PolarHBondContact O-N 2.97Å; G120-L123 WeakPolarHBondContact O-CB 3.48Å; G120-L123 PolarHBondContact O-N 2.78Å; L123-H125 VanDerWaalsContact C-N 3.35Å; L123-H125 PolarHBondContact O-N 3.39Å; L123-K126 WeakPolarHBondContact O-CB 3.44Å; L123-K126 PolarHBondContact O-N 3.27Å; L123-L128 HydrophobicContact CB-CD1 3.77Å; L123-L128 HydrophobicContact CD2-CD1 3.85Å; L123-L128 HydrophobicContact CG-CD1 4.31Å; L123-L128 WeakPolarHBondContact O-CB 3.45Å; L123-L128 PolarHBondContact O-N 3.07Å; L123-M158 HydrophobicContact CB-CE 4.14Å; L123-M158 HydrophobicContact CD1-CE 3.98Å; L123-M183 HydrophobicContact CD2-CG 3.77Å; L123-M183 HydrophobicContact CD2-SD 3.56Å; L123-M183 VanDerWaalsContact CD2-SD 3.56Å; L123-L185 HydrophobicContact CD2-CD2 4.49Å; L123-L237 HydrophobicContact CD2-CD1 4.42Å |
| 124 | L | 98.3 | Very high | 97.8 | Very high | 29 Ų | 29 | 43.1 Ų | 43.1 | 15% | 0.152 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.1 | -39.4 | 175.2 | -62 | -171.6 | 0 | 0 | 0 | 112.1 | G120 S121 K126 G127 L128 P130 Y156 M158 Q246 | G120-L124 WeakPolarHBondContact O-CG 3.44Å; G120-L124 PolarHBondContact O-N 3.27Å; S121-L124 PolarHBondContact O-N 3.36Å; L124-K126 PolarHBondContact O-N 3.35Å; L124-G127 WeakPolarHBondContact O-CA 3.35Å; L124-G127 PolarHBondContact O-N 3.47Å; L124-L128 WeakPolarHBondContact CD2-O 3.39Å; L124-P130 HydrophobicContact CD1-CB 4.17Å; L124-P130 HydrophobicContact CD1-CG 4.43Å; L124-P130 HydrophobicContact CD2-CB 3.84Å; L124-P130 HydrophobicContact CD2-CG 4.24Å; L124-Y156 HydrophobicContact CD1-CD1 3.5Å; L124-Y156 VanDerWaalsContact CD1-CD1 3.5Å; L124-Y156 HydrophobicContact CD1-CE1 3.75Å; L124-Y156 HydrophobicContact CD1-CG 4.15Å; L124-Y156 HydrophobicContact CG-CD1 4.34Å; L124-M158 HydrophobicContact CD2-CE 4.32Å; L124-Q246 HydrophobicContact CB-CG 4.3Å; L124-Q246 HydrophobicContact CD1-CB 3.88Å; L124-Q246 HydrophobicContact CD1-CG 4.02Å |
| 125 | H | 96.9 | Very high | 97.8 | Very high | 98 Ų | 98 | 42.9 Ų | 42.9 | 45% | 0.454 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.8 | -28.4 | 175.9 | -163.9 | 91.9 | 0 | 0 | 0 | 112.5 | S121 G122 L123 G127 L240 | S121-H125 PolarHBondContact O-N 3.42Å; G122-H125 PolarHBondContact O-N 3.44Å; L123-H125 VanDerWaalsContact C-N 3.35Å; L123-H125 PolarHBondContact O-N 3.39Å; H125-G127 PolarHBondContact O-N 3.25Å; H125-L240 HydrophobicContact CB-CD2 4.27Å; H125-L240 HydrophobicContact CB-CG 4.41Å |
| 126 | K | 95.4 | Very high | 97.8 | Very high | 83 Ų | 83 | 40.1 Ų | 40.1 | 36% | 0.361 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 3.2 | 170 | -71.4 | -72.2 | -174.7 | 174.1 | 0 | 113.7 | G122 L123 L124 D230 L237 | G122-K126 PolarHBondContact O-N 3Å; L123-K126 WeakPolarHBondContact O-CB 3.44Å; L123-K126 PolarHBondContact O-N 3.27Å; L124-K126 PolarHBondContact O-N 3.35Å; K126-D230 IonicContact NZ-OD2 3.81Å; K126-D230 PolarHBondContact NZ-OD2 3.29Å; K126-L237 HydrophobicContact CD-CD2 4.38Å; K126-L237 HydrophobicContact CG-CD2 3.83Å |
| 127 | G | 95.8 | Very high | 97.8 | Very high | 60 Ų | 60 | 40.1 Ų | 40.1 | 62% | 0.619 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 94.3 | 9.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | L124 H125 | L124-G127 WeakPolarHBondContact O-CA 3.35Å; L124-G127 PolarHBondContact O-N 3.47Å; H125-G127 PolarHBondContact O-N 3.25Å |
| 128 | L | 97.7 | Very high | 97.8 | Very high | 22 Ų | 22 | 37.5 Ų | 37.5 | 12% | 0.115 | 20% | 0.201 | C | C | . | . | trans | -73.3 | 149.2 | 173 | -62.5 | 171.8 | 0 | 0 | 0 | 110.6 | L123 L124 T134 I136 M158 M183 | L123-L128 HydrophobicContact CB-CD1 3.77Å; L123-L128 HydrophobicContact CD2-CD1 3.85Å; L123-L128 HydrophobicContact CG-CD1 4.31Å; L123-L128 WeakPolarHBondContact O-CB 3.45Å; L123-L128 PolarHBondContact O-N 3.07Å; L124-L128 WeakPolarHBondContact CD2-O 3.39Å; L128-T134 HydrophobicContact CB-CG2 4.08Å; L128-T134 HydrophobicContact CD2-CG2 4.1Å; L128-I136 HydrophobicContact CD1-CD1 3.51Å; L128-I136 HydrophobicContact CD2-CD1 4.44Å; L128-M158 HydrophobicContact CB-SD 4.29Å; L128-M183 HydrophobicContact CD1-CB 3.86Å; L128-M183 HydrophobicContact CD1-CG 3.86Å; L128-M183 HydrophobicContact CD1-SD 4.25Å; L128-M183 HydrophobicContact CD2-CB 4.34Å | ||
| 129 | K | 97.8 | Very high | 97.7 | Very high | 137 Ų | 137 | 35.3 Ų | 35.3 | 60% | 0.596 | 19% | 0.192 | S | C | * | . | trans | -96.5 | 140.8 | -177.9 | -63.5 | -180 | -178.6 | 177.7 | 0 | 110.3 | N131 T134 M158 | K129-N131 VanDerWaalsContact C-N 3.27Å; K129-N131 PolarHBondContact O-N 3.42Å; K129-T134 VanDerWaalsContact O-CB 3.27Å; K129-T134 WeakPolarHBondContact O-CB 3.44Å; K129-T134 PolarHBondContact O-OG1 3.42Å; K129-M158 WeakPolarHBondContact O-CG 3.5Å | ||
| 130 | P | 97.6 | Very high | 97.5 | Very high | 49 Ų | 49 | 35.7 Ų | 35.7 | 32% | 0.318 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -83.1 | 69 | -179.7 | 33.5 | -33.7 | 0 | 0 | 0 | 111.1 | L124 Y156 V249 | L124-P130 HydrophobicContact CD1-CB 4.17Å; L124-P130 HydrophobicContact CD1-CG 4.43Å; L124-P130 HydrophobicContact CD2-CB 3.84Å; L124-P130 HydrophobicContact CD2-CG 4.24Å; P130-Y156 CarbonylContact C-O 3.49Å; P130-Y156 WeakPolarHBondContact CA-O 3.35Å; P130-Y156 WeakPolarHBondContact CB-O 3.41Å; P130-V249 HydrophobicContact CB-CB 4.01Å; P130-V249 HydrophobicContact CB-CG1 4.47Å; P130-V249 HydrophobicContact CB-CG2 3.88Å; P130-V249 HydrophobicContact CG-CG2 4.06Å |
| 131 | N | 97.3 | Very high | 97.2 | Very high | 54 Ų | 54 | 39.6 Ų | 39.6 | 29% | 0.289 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -155.2 | 168 | -178.8 | 65.9 | 23.2 | 0 | 0 | 0 | 113.1 | K129 D133 T134 S157 | K129-N131 VanDerWaalsContact C-N 3.27Å; K129-N131 PolarHBondContact O-N 3.42Å; N131-D133 PolarHBondContact O-N 3.12Å; N131-D133 VanDerWaalsContact O-N 3.11Å; N131-D133 PolarHBondContact OD1-N 3.14Å; N131-T134 WeakPolarHBondContact O-CB 3.24Å; N131-T134 PolarHBondContact O-N 3.37Å; N131-T134 PolarHBondContact OD1-N 2.9Å; N131-T134 PolarHBondContact OD1-OG1 2.87Å; N131-S157 CarbonylContact C-O 3.26Å; N131-S157 VanDerWaalsContact O-O 3.08Å |
| 132 | S | 96.2 | Very high | 97 | Very high | 21 Ų | 21 | 40.3 Ų | 40.3 | 15% | 0.147 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | 1.9 | -175.3 | -53.2 | 0 | 0 | 0 | 0 | 115.1 | S157 V159 D255 | S132-S157 WeakPolarHBondContact CA-O 3.36Å; S132-S157 PolarHBondContact N-O 2.78Å; S132-S157 PolarHBondContact OG-O 2.83Å; S132-V159 WeakPolarHBondContact O-CG2 3.49Å; S132-D255 WeakPolarHBondContact OG-CB 3.27Å |
| 133 | D | 96.1 | Very high | 96.9 | Very high | 133 Ų | 133 | 42.3 Ų | 42.3 | 71% | 0.711 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -6.2 | 170.9 | -59.5 | -41.6 | 0 | 0 | 0 | 111.9 | N131 F135 | N131-D133 PolarHBondContact O-N 3.12Å; N131-D133 VanDerWaalsContact O-N 3.11Å; N131-D133 PolarHBondContact OD1-N 3.14Å; D133-F135 WeakPolarHBondContact O-CD2 3.49Å; D133-F135 WeakPolarHBondContact O-CE2 3.44Å |
| 134 | T | 98.4 | Very high | 96.9 | Very high | 18 Ų | 18 | 42.5 Ų | 42.5 | 11% | 0.11 | 23% | 0.226 | C | C | . | . | trans | -99 | 111.5 | -179 | -59.6 | 0 | 0 | 0 | 0 | 110.1 | L128 K129 N131 I136 M158 V159 | L128-T134 HydrophobicContact CB-CG2 4.08Å; L128-T134 HydrophobicContact CD2-CG2 4.1Å; K129-T134 VanDerWaalsContact O-CB 3.27Å; K129-T134 WeakPolarHBondContact O-CB 3.44Å; K129-T134 PolarHBondContact O-OG1 3.42Å; N131-T134 WeakPolarHBondContact O-CB 3.24Å; N131-T134 PolarHBondContact O-N 3.37Å; N131-T134 PolarHBondContact OD1-N 2.9Å; N131-T134 PolarHBondContact OD1-OG1 2.87Å; T134-I136 HydrophobicContact CG2-CD1 4.17Å; T134-M158 HydrophobicContact CG2-CG 4Å; T134-M158 HydrophobicContact CG2-SD 3.84Å; T134-V159 PolarHBondContact O-N 3.37Å | ||
| 135 | F | 98.7 | Very high | 96.9 | Very high | 28 Ų | 28 | 42.6 Ų | 42.6 | 12% | 0.123 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 126.6 | -177.8 | -61.5 | -83.4 | 0 | 0 | 0 | 111.5 | D133 V159 V161 A179 I181 V259 L506 | D133-F135 WeakPolarHBondContact O-CD2 3.49Å; D133-F135 WeakPolarHBondContact O-CE2 3.44Å; F135-V159 WeakPolarHBondContact CA-O 3.5Å; F135-V159 HydrophobicContact CD1-CB 3.68Å; F135-V159 HydrophobicContact CD1-CG1 3.78Å; F135-V159 HydrophobicContact CD1-CG2 4.37Å; F135-V159 HydrophobicContact CE1-CB 3.88Å; F135-V159 HydrophobicContact CE1-CG1 3.78Å; F135-V159 HydrophobicContact CE1-CG2 4.16Å; F135-V161 HydrophobicContact CB-CG2 3.8Å; F135-V161 HydrophobicContact CD1-CG2 3.65Å; F135-V161 HydrophobicContact CG-CG2 4.13Å; F135-A179 HydrophobicContact CB-CB 4.45Å; F135-A179 WeakPolarHBondContact CD2-O 3.37Å; F135-A179 HydrophobicContact CG-CB 4.37Å; F135-I181 HydrophobicContact CB-CG1 4.26Å; F135-V259 HydrophobicContact CD1-CG2 4.2Å; F135-V259 HydrophobicContact CE1-CG2 3.65Å; F135-L506 HydrophobicContact CZ-CD1 4.08Å |
| 136 | I | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 116.3 | 176.6 | -51 | -57 | 0 | 0 | 0 | 108.9 | L128 T134 M158 V159 V161 M183 L185 | L128-I136 HydrophobicContact CD1-CD1 3.51Å; L128-I136 HydrophobicContact CD2-CD1 4.44Å; T134-I136 HydrophobicContact CG2-CD1 4.17Å; I136-M158 HydrophobicContact CD1-SD 4Å; I136-M158 HydrophobicContact CG1-CB 4.31Å; I136-M158 HydrophobicContact CG1-SD 4.09Å; I136-V159 PolarHBondContact N-O 3.21Å; I136-V161 PolarHBondContact O-N 3.06Å; I136-M183 HydrophobicContact CD1-CB 4.17Å; I136-M183 HydrophobicContact CD1-CG 4.29Å; I136-M183 HydrophobicContact CG2-CG 4.39Å; I136-L185 HydrophobicContact CG2-CD1 4.31Å; I136-L185 HydrophobicContact CG2-CG 4.07Å |
| 137 | G | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 134.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | V161 M183 V184 L185 | G137-V161 WeakPolarHBondContact CA-O 3.34Å; G137-M183 PolarHBondContact N-O 2.87Å; G137-V184 CarbonylContact O-C 3.12Å; G137-V184 VanDerWaalsContact O-CA 3.29Å; G137-V184 WeakPolarHBondContact O-CA 3.43Å; G137-L185 PolarHBondContact O-N 3.08Å |
| 138 | I | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 123.7 | 167.3 | -40.9 | -177.6 | 0 | 0 | 0 | 106.4 | W146 V160 V161 L163 L185 M213 | I138-W146 HydrophobicContact CB-CD2 4.26Å; I138-W146 HydrophobicContact CB-CE3 3.8Å; I138-W146 HydrophobicContact CB-CH2 3.34Å; I138-W146 HydrophobicContact CB-CZ2 3.8Å; I138-W146 HydrophobicContact CB-CZ3 3.29Å; I138-W146 HydrophobicContact CG2-CD2 3.62Å; I138-W146 HydrophobicContact CG2-CE3 3.01Å; I138-W146 HydrophobicContact CG2-CH2 3.62Å; I138-W146 HydrophobicContact CG2-CZ2 4.11Å; I138-W146 HydrophobicContact CG2-CZ3 2.99Å; I138-W146 WeakPolarHBondContact O-CH2 3.24Å; I138-W146 VanDerWaalsContact O-CZ3 3.29Å; I138-W146 WeakPolarHBondContact O-CZ3 3.3Å; I138-V160 HydrophobicContact CD1-CG1 3.59Å; I138-V160 HydrophobicContact CD1-CG2 4.4Å; I138-V160 HydrophobicContact CG1-CG1 3.99Å; I138-V161 PolarHBondContact N-O 2.85Å; I138-L163 WeakPolarHBondContact O-CB 3.29Å; I138-L163 PolarHBondContact O-N 3.22Å; I138-L185 CarbonylContact C-O 3.56Å; I138-L185 WeakPolarHBondContact CA-O 3.42Å; I138-L185 HydrophobicContact CD1-CD1 4.41Å; I138-L185 HydrophobicContact CG1-CB 4.5Å; I138-L185 HydrophobicContact CG1-CD1 4.3Å; I138-L185 HydrophobicContact CG2-CB 3.92Å; I138-M213 HydrophobicContact CG2-CE 3.83Å |
| 139 | F | 97 | Very high | 97.3 | Very high | 9 Ų | 9 | 30.3 Ų | 30.3 | 4% | 0.039 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 85 | -176.1 | -172 | -156.1 | 0 | 0 | 0 | 110.8 | L163 D165 L172 V184 L185 C186 D187 K191 L195 | F139-L163 HydrophobicContact CB-CB 3.82Å; F139-L163 HydrophobicContact CB-CD1 4Å; F139-L163 HydrophobicContact CB-CG 4.44Å; F139-L163 HydrophobicContact CD2-CB 3.84Å; F139-L163 WeakPolarHBondContact CD2-O 3.22Å; F139-L163 HydrophobicContact CG-CB 4.01Å; F139-D165 VanDerWaalsContact CE2-OD1 3.3Å; F139-D165 WeakPolarHBondContact CE2-OD1 3.42Å; F139-L172 HydrophobicContact CD2-CD2 4.5Å; F139-L172 HydrophobicContact CE1-CD1 3.89Å; F139-L172 HydrophobicContact CE2-CD1 4.25Å; F139-L172 HydrophobicContact CE2-CD2 4.22Å; F139-L172 HydrophobicContact CZ-CD1 3.6Å; F139-L172 HydrophobicContact CZ-CD2 4.33Å; F139-V184 HydrophobicContact CB-CG1 3.9Å; F139-L185 PolarHBondContact N-O 3.32Å; F139-C186 WeakPolarHBondContact O-CA 3.42Å; F139-D187 PolarHBondContact O-N 3.45Å; F139-D187 VanDerWaalsContact O-N 3.09Å; F139-K191 HydrophobicContact CD1-CB 3.78Å; F139-K191 HydrophobicContact CD1-CD 3.94Å; F139-K191 HydrophobicContact CD1-CG 4.26Å; F139-K191 HydrophobicContact CD2-CD 3.93Å; F139-K191 HydrophobicContact CE1-CB 3.57Å; F139-K191 HydrophobicContact CE1-CD 3.77Å; F139-K191 HydrophobicContact CE1-CG 3.79Å; F139-K191 HydrophobicContact CE2-CD 3.79Å; F139-K191 HydrophobicContact CG-CD 4.02Å; F139-K191 HydrophobicContact CZ-CB 4.25Å; F139-K191 HydrophobicContact CZ-CD 3.69Å; F139-K191 HydrophobicContact CZ-CG 3.94Å; F139-L195 HydrophobicContact CD1-CD1 4.27Å; F139-L195 HydrophobicContact CD1-CD2 4.34Å; F139-L195 HydrophobicContact CD1-CG 4.29Å |
| 140 | A | 94.9 | Very high | 97.3 | Very high | 9 Ų | 9 | 24.4 Ų | 24.4 | 7% | 0.074 | 13% | 0.128 | C | C | . | . | trans | -163.8 | 147.2 | -165 | 0 | 0 | 0 | 0 | 0 | 111.7 | W146 D187 M213 | A140-W146 HydrophobicContact CB-CE3 3.48Å; A140-W146 VanDerWaalsContact CB-CE3 3.48Å; A140-W146 HydrophobicContact CB-CZ3 3.68Å; A140-W146 VanDerWaalsContact N-CZ3 3.35Å; A140-W146 WeakPolarHBondContact O-CZ3 3.42Å; A140-D187 VanDerWaalsContact CA-OD2 3.24Å; A140-D187 WeakPolarHBondContact CA-OD2 3.43Å; A140-D187 HydrophobicContact CB-CB 3.54Å; A140-M213 HydrophobicContact CB-CE 3.94Å; A140-M213 HydrophobicContact CB-SD 3.89Å | ||
| 141 | Q | 91.6 | Very high | 97.4 | Very high | 82 Ų | 82 | 22.6 Ų | 22.6 | 38% | 0.383 | 12% | 0.115 | S | C | . | . | trans | -70 | 167.3 | 168.7 | -68.1 | -172.1 | -6 | 0 | 0 | 111.1 | R143 D165 D187 | Q141-R143 WeakPolarHBondContact O-CG 3.46Å; Q141-R143 PolarHBondContact O-N 3.16Å; Q141-R143 VanDerWaalsContact O-N 3.11Å; Q141-D165 WeakPolarHBondContact CG-OD2 3.46Å; Q141-D187 PolarHBondContact N-OD2 2.99Å | ||
| 142 | N | 94.4 | Very high | 97.4 | Very high | 14 Ų | 14 | 20 Ų | 20 | 8% | 0.075 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -59.6 | 117.9 | -178.9 | -62 | 21.8 | 0 | 0 | 0 | 111.5 | S304 L306 P307 L308 F329 F330 | N142-S304 PolarHBondContact ND2-OG 3.47Å; N142-L306 PolarHBondContact ND2-O 2.84Å; N142-P307 WeakPolarHBondContact OD1-CA 3.41Å; N142-L308 HydrophobicContact CB-CD1 3.92Å; N142-L308 HydrophobicContact CB-CG 4.2Å; N142-L308 PolarHBondContact OD1-N 2.89Å; N142-F329 HydrophobicContact CB-CD1 3.86Å; N142-F329 HydrophobicContact CB-CE1 4.28Å; N142-F330 HydrophobicContact CB-CD1 4.4Å; N142-F330 HydrophobicContact CB-CE1 4.03Å |
| 143 | R | 96.7 | Very high | 97.6 | Very high | 42 Ų | 42 | 19 Ų | 19 | 16% | 0.158 | 9% | 0.094 | C | C | . | . | trans | -159.4 | 163.1 | 179.5 | 63.7 | -169.3 | -68.7 | 164.9 | 1.3 | 111.3 | Q141 E145 W146 M213 E214 | Q141-R143 WeakPolarHBondContact O-CG 3.46Å; Q141-R143 PolarHBondContact O-N 3.16Å; Q141-R143 VanDerWaalsContact O-N 3.11Å; R143-E145 VanDerWaalsContact C-N 3.28Å; R143-E145 HydrophobicContact CG-CB 4.26Å; R143-E145 IonicContact CZ-OE2 3.73Å; R143-E145 IonicContact NE-OE2 2.89Å; R143-E145 PolarHBondContact NE-OE2 3.16Å; R143-E145 IonicContact NH2-OE2 3.9Å; R143-E145 PolarHBondContact NH2-OE2 2.92Å; R143-E145 PolarHBondContact O-N 2.79Å; R143-W146 HydrophobicContact CG-CB 4.33Å; R143-W146 VanDerWaalsContact O-CB 3.25Å; R143-W146 WeakPolarHBondContact O-CB 3.35Å; R143-W146 PolarHBondContact O-N 2.93Å; R143-W146 VanDerWaalsContact O-N 3.13Å; R143-M213 VanDerWaalsContact CD-SD 3.54Å; R143-M213 HydrophobicContact CG-SD 4.14Å; R143-E214 IonicContact CZ-OE1 3.3Å; R143-E214 IonicContact NH1-OE1 3.44Å; R143-E214 PolarHBondContact NH1-OE1 3.04Å | ||
| 144 | P | 98.3 | Very high | 97.7 | Very high | 4 Ų | 4 | 12.8 Ų | 12.8 | 3% | 0.026 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -55.4 | -40.2 | 178.7 | -26.1 | 34.4 | 0 | 0 | 0 | 114 | L95 Y97 L107 W146 I147 I148 F329 | L95-P144 HydrophobicContact CB-CB 4.04Å; L95-P144 HydrophobicContact CB-CG 4.43Å; L95-P144 HydrophobicContact CD1-CB 4.04Å; Y97-P144 HydrophobicContact CD1-CG 3.69Å; Y97-P144 HydrophobicContact CG-CG 4.05Å; L107-P144 HydrophobicContact CD1-CB 4.14Å; P144-W146 PolarHBondContact O-N 2.83Å; P144-I147 PolarHBondContact O-N 3.28Å; P144-I147 VanDerWaalsContact O-N 3.11Å; P144-I148 WeakPolarHBondContact O-CG1 3.48Å; P144-I148 PolarHBondContact O-N 2.9Å; P144-I148 VanDerWaalsContact O-N 3.08Å; P144-F329 HydrophobicContact CB-CE2 4.38Å; P144-F329 HydrophobicContact CG-CD2 3.76Å; P144-F329 HydrophobicContact CG-CE2 4.07Å |
| 145 | E | 98.4 | Very high | 97.7 | Very high | 32 Ų | 32 | 12.1 Ų | 12.1 | 15% | 0.15 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -61.5 | -28.7 | -178.8 | -67.5 | 76 | -159.6 | 0 | 0 | 112.8 | R143 I148 G149 M213 M234 | R143-E145 VanDerWaalsContact C-N 3.28Å; R143-E145 HydrophobicContact CG-CB 4.26Å; R143-E145 IonicContact CZ-OE2 3.73Å; R143-E145 IonicContact NE-OE2 2.89Å; R143-E145 PolarHBondContact NE-OE2 3.16Å; R143-E145 IonicContact NH2-OE2 3.9Å; R143-E145 PolarHBondContact NH2-OE2 2.92Å; R143-E145 PolarHBondContact O-N 2.79Å; E145-I148 PolarHBondContact O-N 3.33Å; E145-G149 PolarHBondContact O-N 3.29Å; E145-M213 HydrophobicContact CB-CB 4.23Å; E145-M213 HydrophobicContact CB-CE 4.25Å; E145-M213 HydrophobicContact CB-CG 3.89Å; E145-M213 HydrophobicContact CB-SD 3.55Å; E145-M213 VanDerWaalsContact CB-SD 3.55Å; E145-M213 HydrophobicContact CG-CB 4.26Å; E145-M213 HydrophobicContact CG-CG 4.4Å; E145-M234 HydrophobicContact CB-CE 4.02Å; E145-M234 HydrophobicContact CB-SD 3.75Å; E145-M234 HydrophobicContact CG-CE 4.46Å; E145-M234 HydrophobicContact CG-SD 3.99Å; E145-M234 WeakPolarHBondContact O-CE 3.3Å |
| 146 | W | 97.9 | Very high | 97.7 | Very high | 3 Ų | 3 | 10.8 Ų | 10.8 | 1% | 0.011 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -60 | -48.4 | 173.8 | -174.7 | -87.2 | 0 | 0 | 0 | 111.5 | I138 A140 R143 P144 I148 G149 E150 P162 L308 | I138-W146 HydrophobicContact CB-CD2 4.26Å; I138-W146 HydrophobicContact CB-CE3 3.8Å; I138-W146 HydrophobicContact CB-CH2 3.34Å; I138-W146 HydrophobicContact CB-CZ2 3.8Å; I138-W146 HydrophobicContact CB-CZ3 3.29Å; I138-W146 HydrophobicContact CG2-CD2 3.62Å; I138-W146 HydrophobicContact CG2-CE3 3.01Å; I138-W146 HydrophobicContact CG2-CH2 3.62Å; I138-W146 HydrophobicContact CG2-CZ2 4.11Å; I138-W146 HydrophobicContact CG2-CZ3 2.99Å; I138-W146 WeakPolarHBondContact O-CH2 3.24Å; I138-W146 VanDerWaalsContact O-CZ3 3.29Å; I138-W146 WeakPolarHBondContact O-CZ3 3.3Å; A140-W146 HydrophobicContact CB-CE3 3.48Å; A140-W146 VanDerWaalsContact CB-CE3 3.48Å; A140-W146 HydrophobicContact CB-CZ3 3.68Å; A140-W146 VanDerWaalsContact N-CZ3 3.35Å; A140-W146 WeakPolarHBondContact O-CZ3 3.42Å; R143-W146 HydrophobicContact CG-CB 4.33Å; R143-W146 VanDerWaalsContact O-CB 3.25Å; R143-W146 WeakPolarHBondContact O-CB 3.35Å; R143-W146 PolarHBondContact O-N 2.93Å; R143-W146 VanDerWaalsContact O-N 3.13Å; P144-W146 PolarHBondContact O-N 2.83Å; W146-I148 VanDerWaalsContact C-N 3.33Å; W146-G149 PolarHBondContact O-N 3.02Å; W146-E150 PolarHBondContact O-N 3.07Å; W146-P162 HydrophobicContact CH2-CB 4.14Å; W146-P162 HydrophobicContact CZ2-CB 3.87Å; W146-P162 HydrophobicContact CZ2-CG 4.34Å; W146-L308 HydrophobicContact CB-CD1 3.82Å; W146-L308 HydrophobicContact CD2-CB 4.39Å; W146-L308 HydrophobicContact CD2-CD1 4.35Å; W146-L308 HydrophobicContact CG-CB 4.27Å; W146-L308 HydrophobicContact CG-CD1 3.52Å |
| 147 | I | 98.5 | Very high | 97.7 | Very high | 1 Ų | 1 | 11.1 Ų | 11.1 | 1% | 0.005 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -69.9 | -34 | -180 | -56.8 | -59.9 | 0 | 0 | 0 | 111 | L95 P144 E150 M151 L308 Y321 F329 | L95-I147 HydrophobicContact CD1-CB 3.93Å; L95-I147 HydrophobicContact CD1-CG2 4.11Å; L95-I147 HydrophobicContact CD2-CB 4.26Å; L95-I147 HydrophobicContact CD2-CG1 4.31Å; L95-I147 HydrophobicContact CD2-CG2 4.11Å; P144-I147 PolarHBondContact O-N 3.28Å; P144-I147 VanDerWaalsContact O-N 3.11Å; I147-E150 PolarHBondContact O-N 3.17Å; I147-M151 HydrophobicContact CG2-CG 4.27Å; I147-M151 WeakPolarHBondContact O-CB 3.5Å; I147-M151 VanDerWaalsContact O-CG 3.27Å; I147-M151 WeakPolarHBondContact O-CG 3.4Å; I147-M151 PolarHBondContact O-N 3.14Å; I147-L308 HydrophobicContact CD1-CD1 4.28Å; I147-L308 HydrophobicContact CD1-CD2 4.29Å; I147-Y321 HydrophobicContact CD1-CE2 4.46Å; I147-Y321 HydrophobicContact CG2-CE2 4.1Å; I147-F329 HydrophobicContact CG1-CZ 3.78Å |
| 148 | I | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -64.5 | -43.3 | 173.7 | -66 | 167.2 | 0 | 0 | 0 | 110.6 | L95 L107 V112 R115 L119 P144 E145 W146 M151 A152 M234 | L95-I148 HydrophobicContact CD1-CG1 4.28Å; L107-I148 HydrophobicContact CD1-CD1 4.07Å; V112-I148 HydrophobicContact CG1-CG1 4.02Å; R115-I148 HydrophobicContact CB-CD1 4.28Å; R115-I148 HydrophobicContact CB-CG2 3.78Å; L119-I148 HydrophobicContact CD2-CG2 4.32Å; P144-I148 WeakPolarHBondContact O-CG1 3.48Å; P144-I148 PolarHBondContact O-N 2.9Å; P144-I148 VanDerWaalsContact O-N 3.08Å; E145-I148 PolarHBondContact O-N 3.33Å; W146-I148 VanDerWaalsContact C-N 3.33Å; I148-M151 PolarHBondContact O-N 2.91Å; I148-A152 VanDerWaalsContact O-CB 3.31Å; I148-A152 WeakPolarHBondContact O-CB 3.42Å; I148-A152 PolarHBondContact O-N 3.04Å; I148-M234 HydrophobicContact CB-CE 4.1Å; I148-M234 HydrophobicContact CG2-CE 3.82Å |
| 149 | G | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -59.3 | -45.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | E145 W146 A152 C153 | E145-G149 PolarHBondContact O-N 3.29Å; W146-G149 PolarHBondContact O-N 3.02Å; G149-A152 WeakPolarHBondContact O-CB 3.26Å; G149-A152 PolarHBondContact O-N 3.21Å; G149-C153 PolarHBondContact O-N 3.07Å; G149-C153 PolarHBondContact O-SG 3.19Å |
| 150 | E | 98.4 | Very high | 97.8 | Very high | 14 Ų | 14 | 10.7 Ų | 10.7 | 7% | 0.065 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -61.4 | -50 | 175.9 | 180 | -177.3 | -123.7 | 0 | 0 | 112 | W146 I147 A152 C153 Y154 V160 R314 | W146-E150 PolarHBondContact O-N 3.07Å; I147-E150 PolarHBondContact O-N 3.17Å; E150-A152 VanDerWaalsContact C-N 3.27Å; E150-A152 PolarHBondContact O-N 3.21Å; E150-C153 WeakPolarHBondContact O-CB 3.49Å; E150-C153 PolarHBondContact O-N 3.12Å; E150-C153 VanDerWaalsContact O-N 3.12Å; E150-Y154 VanDerWaalsContact CD-OH 3.3Å; E150-Y154 HydrophobicContact CG-CD2 4.22Å; E150-Y154 HydrophobicContact CG-CE1 4.17Å; E150-Y154 HydrophobicContact CG-CE2 3.4Å; E150-Y154 VanDerWaalsContact CG-CE2 3.4Å; E150-Y154 VanDerWaalsContact CG-OH 3.26Å; E150-Y154 WeakPolarHBondContact CG-OH 3.38Å; E150-Y154 PolarHBondContact O-N 3.26Å; E150-Y154 PolarHBondContact OE1-OH 3.37Å; E150-V160 HydrophobicContact CB-CG2 4.32Å; E150-V160 HydrophobicContact CG-CG2 4.09Å; E150-R314 IonicContact OE1-CZ 2.74Å; E150-R314 IonicContact OE1-NE 3.57Å; E150-R314 PolarHBondContact OE1-NE 3.24Å; E150-R314 VanDerWaalsContact OE1-NE 3.12Å; E150-R314 IonicContact OE1-NH2 3.43Å; E150-R314 PolarHBondContact OE1-NH2 3.43Å |
| 151 | M | 98.7 | Very high | 97.9 | Very high | 10 Ų | 10 | 10.2 Ų | 10.2 | 5% | 0.049 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -63.9 | -32.4 | 177.5 | -70 | -56.9 | 109.6 | 0 | 0 | 112.2 | F82 A116 I147 I148 C153 Y154 T155 | F82-M151 HydrophobicContact CB-SD 3.73Å; F82-M151 HydrophobicContact CD1-SD 4.26Å; F82-M151 HydrophobicContact CD2-CG 4.33Å; F82-M151 HydrophobicContact CD2-SD 3.76Å; F82-M151 HydrophobicContact CE2-CG 4.48Å; F82-M151 HydrophobicContact CE2-SD 4.47Å; F82-M151 HydrophobicContact CG-CG 4.43Å; F82-M151 HydrophobicContact CG-SD 3.64Å; A116-M151 HydrophobicContact CB-CB 3.57Å; I147-M151 HydrophobicContact CG2-CG 4.27Å; I147-M151 WeakPolarHBondContact O-CB 3.5Å; I147-M151 VanDerWaalsContact O-CG 3.27Å; I147-M151 WeakPolarHBondContact O-CG 3.4Å; I147-M151 PolarHBondContact O-N 3.14Å; I148-M151 PolarHBondContact O-N 2.91Å; M151-C153 VanDerWaalsContact C-N 3.34Å; M151-Y154 HydrophobicContact CE-CD2 3.4Å; M151-Y154 VanDerWaalsContact CE-CD2 3.4Å; M151-Y154 HydrophobicContact CE-CE2 3.41Å; M151-Y154 VanDerWaalsContact CE-CE2 3.41Å; M151-Y154 PolarHBondContact O-N 3.42Å; M151-Y154 HydrophobicContact SD-CD2 4.08Å; M151-T155 WeakPolarHBondContact O-CB 3.45Å; M151-T155 PolarHBondContact O-N 2.87Å; M151-T155 PolarHBondContact O-OG1 2.89Å |
| 152 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -64.1 | -41.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | A116 L119 I148 G149 E150 T155 Y156 | A116-A152 HydrophobicContact CB-CB 4.38Å; A116-A152 WeakPolarHBondContact O-CA 3.33Å; A116-A152 VanDerWaalsContact O-CB 3.23Å; A116-A152 WeakPolarHBondContact O-CB 3.09Å; L119-A152 HydrophobicContact CB-CB 3.98Å; L119-A152 HydrophobicContact CD2-CB 3.75Å; L119-A152 HydrophobicContact CG-CB 3.98Å; I148-A152 VanDerWaalsContact O-CB 3.31Å; I148-A152 WeakPolarHBondContact O-CB 3.42Å; I148-A152 PolarHBondContact O-N 3.04Å; G149-A152 WeakPolarHBondContact O-CB 3.26Å; G149-A152 PolarHBondContact O-N 3.21Å; E150-A152 VanDerWaalsContact C-N 3.27Å; E150-A152 PolarHBondContact O-N 3.21Å; A152-T155 PolarHBondContact O-N 3.02Å; A152-Y156 WeakPolarHBondContact O-CD2 3.32Å |
| 153 | C | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -60.5 | -49.7 | 174.9 | -63.4 | 0 | 0 | 0 | 0 | 110.7 | G149 E150 M151 T155 Y156 S157 M158 V160 | G149-C153 PolarHBondContact O-N 3.07Å; G149-C153 PolarHBondContact O-SG 3.19Å; E150-C153 WeakPolarHBondContact O-CB 3.49Å; E150-C153 PolarHBondContact O-N 3.12Å; E150-C153 VanDerWaalsContact O-N 3.12Å; M151-C153 VanDerWaalsContact C-N 3.34Å; C153-T155 VanDerWaalsContact C-N 3.34Å; C153-T155 PolarHBondContact O-N 2.97Å; C153-Y156 CarbonylContact O-C 3.59Å; C153-Y156 PolarHBondContact O-N 3.47Å; C153-Y156 VanDerWaalsContact O-N 3.14Å; C153-S157 PolarHBondContact O-N 3.36Å; C153-M158 CarbonylContact C-O 3.55Å; C153-M158 HydrophobicContact CB-CB 4.05Å; C153-M158 PolarHBondContact O-N 3.39Å; C153-V160 HydrophobicContact CB-CG2 3.65Å |
| 154 | Y | 98.5 | Very high | 97 | Very high | 2 Ų | 2 | 5.1 Ų | 5.1 | 1% | 0.008 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -64.1 | -36.3 | 179.9 | -57.2 | -21.2 | 0 | 0 | 0 | 113.4 | L78 E150 M151 Y156 S157 V160 P251 S257 H276 R314 | L78-Y154 HydrophobicContact CB-CD2 3.69Å; L78-Y154 HydrophobicContact CB-CE2 3.53Å; L78-Y154 HydrophobicContact CB-CG 4.45Å; L78-Y154 HydrophobicContact CD1-CE1 4.23Å; L78-Y154 HydrophobicContact CD1-CE2 3.7Å; L78-Y154 WeakPolarHBondContact CD1-OH 3.42Å; L78-Y154 HydrophobicContact CG-CE2 4.24Å; E150-Y154 VanDerWaalsContact CD-OH 3.3Å; E150-Y154 HydrophobicContact CG-CD2 4.22Å; E150-Y154 HydrophobicContact CG-CE1 4.17Å; E150-Y154 HydrophobicContact CG-CE2 3.4Å; E150-Y154 VanDerWaalsContact CG-CE2 3.4Å; E150-Y154 VanDerWaalsContact CG-OH 3.26Å; E150-Y154 WeakPolarHBondContact CG-OH 3.38Å; E150-Y154 PolarHBondContact O-N 3.26Å; E150-Y154 PolarHBondContact OE1-OH 3.37Å; M151-Y154 HydrophobicContact CE-CD2 3.4Å; M151-Y154 VanDerWaalsContact CE-CD2 3.4Å; M151-Y154 HydrophobicContact CE-CE2 3.41Å; M151-Y154 VanDerWaalsContact CE-CE2 3.41Å; M151-Y154 PolarHBondContact O-N 3.42Å; M151-Y154 HydrophobicContact SD-CD2 4.08Å; Y154-Y156 PolarHBondContact O-N 3.33Å; Y154-Y156 VanDerWaalsContact O-N 3.12Å; Y154-S157 PolarHBondContact O-N 2.88Å; Y154-V160 HydrophobicContact CE1-CG2 4.18Å; Y154-P251 WeakPolarHBondContact O-CD 3.29Å; Y154-S257 WeakPolarHBondContact CE1-O 3.48Å; Y154-H276 AromaticContact CD1-CE1 3.49Å; Y154-H276 VanDerWaalsContact CD1-CE1 3.49Å; Y154-H276 WeakPolarHBondContact CD1-CE1 3.39Å; Y154-H276 AromaticContact CE1-CE1 3.92Å; Y154-H276 AromaticContact CG-CE1 3.78Å; Y154-R314 PolarHBondContact OH-NH2 2.95Å |
| 155 | T | 98.4 | Very high | 95.6 | Very high | 5 Ų | 5 | 7.8 Ų | 7.8 | 3% | 0.031 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -61.2 | -22.8 | 178.6 | -59.7 | 0 | 0 | 0 | 0 | 112.5 | Y79 M151 A152 C153 P248 V249 | Y79-T155 HydrophobicContact CE2-CG2 4.29Å; M151-T155 WeakPolarHBondContact O-CB 3.45Å; M151-T155 PolarHBondContact O-N 2.87Å; M151-T155 PolarHBondContact O-OG1 2.89Å; A152-T155 PolarHBondContact O-N 3.02Å; C153-T155 VanDerWaalsContact C-N 3.34Å; C153-T155 PolarHBondContact O-N 2.97Å; T155-P248 HydrophobicContact CG2-CB 3.81Å; T155-P248 HydrophobicContact CG2-CG 3.96Å; T155-V249 CarbonylContact O-C 3.58Å; T155-V249 PolarHBondContact O-N 3.49Å |
| 156 | Y | 98.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 4% | 0.041 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.7 | 25.4 | -178.4 | -63.6 | -80.5 | 0 | 0 | 0 | 112.8 | Q117 G120 S121 L124 P130 A152 C153 Y154 M158 Q246 K247 V249 | Q117-Y156 WeakPolarHBondContact CG-OH 3.42Å; Q117-Y156 PolarHBondContact O-OH 2.99Å; G120-Y156 VanDerWaalsContact C-CE2 3.45Å; G120-Y156 VanDerWaalsContact CA-CE2 3.43Å; S121-Y156 PolarHBondContact OG-OH 3.47Å; L124-Y156 HydrophobicContact CD1-CD1 3.5Å; L124-Y156 VanDerWaalsContact CD1-CD1 3.5Å; L124-Y156 HydrophobicContact CD1-CE1 3.75Å; L124-Y156 HydrophobicContact CD1-CG 4.15Å; L124-Y156 HydrophobicContact CG-CD1 4.34Å; P130-Y156 CarbonylContact C-O 3.49Å; P130-Y156 WeakPolarHBondContact CA-O 3.35Å; P130-Y156 WeakPolarHBondContact CB-O 3.41Å; A152-Y156 WeakPolarHBondContact O-CD2 3.32Å; C153-Y156 CarbonylContact O-C 3.59Å; C153-Y156 PolarHBondContact O-N 3.47Å; C153-Y156 VanDerWaalsContact O-N 3.14Å; Y154-Y156 PolarHBondContact O-N 3.33Å; Y154-Y156 VanDerWaalsContact O-N 3.12Å; Y156-M158 HydrophobicContact CG-CE 4.47Å; Y156-M158 PolarHBondContact O-N 2.95Å; Y156-Q246 HydrophobicContact CE1-CB 4Å; Y156-Q246 PolarHBondContact OH-O 3.35Å; Y156-Q246 VanDerWaalsContact OH-O 3.09Å; Y156-K247 WeakPolarHBondContact CE1-O 3.43Å; Y156-V249 CarbonylContact C-O 3.52Å; Y156-V249 VanDerWaalsContact C-O 3.26Å; Y156-V249 VanDerWaalsContact CA-O 3.29Å; Y156-V249 WeakPolarHBondContact CA-O 3.23Å |
| 157 | S | 98.4 | Very high | 92.2 | Very high | 6 Ų | 6 | 9 Ų | 9 | 4% | 0.042 | 5% | 0.047 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 19.3 | 176.2 | -56.5 | 0 | 0 | 0 | 0 | 115.8 | N131 S132 C153 Y154 V249 L250 P251 | N131-S157 CarbonylContact C-O 3.26Å; N131-S157 VanDerWaalsContact O-O 3.08Å; S132-S157 WeakPolarHBondContact CA-O 3.36Å; S132-S157 PolarHBondContact N-O 2.78Å; S132-S157 PolarHBondContact OG-O 2.83Å; C153-S157 PolarHBondContact O-N 3.36Å; Y154-S157 PolarHBondContact O-N 2.88Å; S157-V249 PolarHBondContact N-O 3.5Å; S157-V249 VanDerWaalsContact N-O 3.12Å; S157-V249 PolarHBondContact OG-O 3.09Å; S157-L250 PolarHBondContact OG-O 2.88Å; S157-P251 WeakPolarHBondContact OG-CA 3.43Å |
| 158 | M | 98.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 6% | 0.059 | C | C | . | . | trans | -81.7 | 160 | 174.7 | -62.9 | -177.3 | -90 | 0 | 0 | 110.8 | L123 L124 L128 K129 T134 I136 C153 Y156 | L123-M158 HydrophobicContact CB-CE 4.14Å; L123-M158 HydrophobicContact CD1-CE 3.98Å; L124-M158 HydrophobicContact CD2-CE 4.32Å; L128-M158 HydrophobicContact CB-SD 4.29Å; K129-M158 WeakPolarHBondContact O-CG 3.5Å; T134-M158 HydrophobicContact CG2-CG 4Å; T134-M158 HydrophobicContact CG2-SD 3.84Å; I136-M158 HydrophobicContact CD1-SD 4Å; I136-M158 HydrophobicContact CG1-CB 4.31Å; I136-M158 HydrophobicContact CG1-SD 4.09Å; C153-M158 CarbonylContact C-O 3.55Å; C153-M158 HydrophobicContact CB-CB 4.05Å; C153-M158 PolarHBondContact O-N 3.39Å; Y156-M158 HydrophobicContact CG-CE 4.47Å; Y156-M158 PolarHBondContact O-N 2.95Å | ||
| 159 | V | 98.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 131.8 | -174.8 | -170.7 | 0 | 0 | 0 | 0 | 110.9 | S132 T134 F135 I136 L256 V259 | S132-V159 WeakPolarHBondContact O-CG2 3.49Å; T134-V159 PolarHBondContact O-N 3.37Å; F135-V159 WeakPolarHBondContact CA-O 3.5Å; F135-V159 HydrophobicContact CD1-CB 3.68Å; F135-V159 HydrophobicContact CD1-CG1 3.78Å; F135-V159 HydrophobicContact CD1-CG2 4.37Å; F135-V159 HydrophobicContact CE1-CB 3.88Å; F135-V159 HydrophobicContact CE1-CG1 3.78Å; F135-V159 HydrophobicContact CE1-CG2 4.16Å; I136-V159 PolarHBondContact N-O 3.21Å; V159-L256 HydrophobicContact CG1-CB 4.16Å; V159-L256 HydrophobicContact CG2-CB 3.68Å; V159-V259 HydrophobicContact CG1-CG2 4.02Å |
| 160 | V | 98.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 136.9 | 175.2 | -178.8 | 0 | 0 | 0 | 0 | 110.4 | I138 E150 C153 Y154 P162 S257 I258 V259 | I138-V160 HydrophobicContact CD1-CG1 3.59Å; I138-V160 HydrophobicContact CD1-CG2 4.4Å; I138-V160 HydrophobicContact CG1-CG1 3.99Å; E150-V160 HydrophobicContact CB-CG2 4.32Å; E150-V160 HydrophobicContact CG-CG2 4.09Å; C153-V160 HydrophobicContact CB-CG2 3.65Å; Y154-V160 HydrophobicContact CE1-CG2 4.18Å; V160-P162 HydrophobicContact CG1-CG 4.36Å; V160-S257 PolarHBondContact N-O 3.46Å; V160-I258 HydrophobicContact CB-CD1 3.83Å; V160-I258 HydrophobicContact CB-CG1 4.4Å; V160-I258 HydrophobicContact CG1-CD1 3.75Å; V160-I258 VanDerWaalsContact O-CA 3.26Å; V160-I258 WeakPolarHBondContact O-CA 3.34Å; V160-I258 WeakPolarHBondContact O-CG1 3.2Å; V160-V259 PolarHBondContact O-N 3.39Å |
| 161 | V | 98.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 101.7 | 169.8 | -172.8 | 0 | 0 | 0 | 0 | 109.1 | F135 I136 G137 I138 L163 I175 A179 I181 V259 F261 | F135-V161 HydrophobicContact CB-CG2 3.8Å; F135-V161 HydrophobicContact CD1-CG2 3.65Å; F135-V161 HydrophobicContact CG-CG2 4.13Å; I136-V161 PolarHBondContact O-N 3.06Å; G137-V161 WeakPolarHBondContact CA-O 3.34Å; I138-V161 PolarHBondContact N-O 2.85Å; V161-L163 PolarHBondContact O-N 3Å; V161-I175 HydrophobicContact CG1-CG2 3.84Å; V161-A179 HydrophobicContact CG2-CB 4.28Å; V161-I181 HydrophobicContact CB-CD1 3.81Å; V161-I181 HydrophobicContact CG1-CD1 3.8Å; V161-I181 HydrophobicContact CG2-CD1 4.27Å; V161-V259 HydrophobicContact CG2-CB 4.27Å; V161-F261 HydrophobicContact CG1-CD2 3.89Å; V161-F261 HydrophobicContact CG1-CE2 3.74Å |
| 162 | P | 95.6 | Very high | 87.3 | Confident | 5 Ų | 5 | 19.3 Ų | 19.3 | 3% | 0.032 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 127.6 | 178.6 | -20.1 | 35.2 | 0 | 0 | 0 | 110.6 | W146 V160 I258 V259 A309 | W146-P162 HydrophobicContact CH2-CB 4.14Å; W146-P162 HydrophobicContact CZ2-CB 3.87Å; W146-P162 HydrophobicContact CZ2-CG 4.34Å; V160-P162 HydrophobicContact CG1-CG 4.36Å; P162-I258 HydrophobicContact CG-CD1 3.32Å; P162-I258 HydrophobicContact CG-CG1 4.17Å; P162-V259 VanDerWaalsContact CD-O 3.26Å; P162-V259 WeakPolarHBondContact CD-O 3.33Å; P162-A309 HydrophobicContact CB-CB 3.4Å; P162-A309 HydrophobicContact CG-CB 4.46Å |
| 163 | L | 91.3 | Very high | 86.9 | Confident | 2 Ų | 2 | 20.2 Ų | 20.2 | 1% | 0.01 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 117.8 | 172.2 | -59.6 | -178.5 | 0 | 0 | 0 | 107.8 | I138 F139 V161 L172 I175 I176 I181 V184 | I138-L163 WeakPolarHBondContact O-CB 3.29Å; I138-L163 PolarHBondContact O-N 3.22Å; F139-L163 HydrophobicContact CB-CB 3.82Å; F139-L163 HydrophobicContact CB-CD1 4Å; F139-L163 HydrophobicContact CB-CG 4.44Å; F139-L163 HydrophobicContact CD2-CB 3.84Å; F139-L163 WeakPolarHBondContact CD2-O 3.22Å; F139-L163 HydrophobicContact CG-CB 4.01Å; V161-L163 PolarHBondContact O-N 3Å; L163-L172 HydrophobicContact CB-CD2 3.7Å; L163-L172 HydrophobicContact CD1-CD2 4.4Å; L163-L172 HydrophobicContact CD2-CD2 4.2Å; L163-L172 HydrophobicContact CG-CD2 4.31Å; L163-I175 HydrophobicContact CD2-CB 4.11Å; L163-I175 HydrophobicContact CD2-CG2 3.41Å; L163-I175 VanDerWaalsContact CD2-CG2 3.41Å; L163-I176 HydrophobicContact CD1-CD1 4.47Å; L163-I176 HydrophobicContact CD1-CG1 4.34Å; L163-I181 HydrophobicContact CD2-CD1 4.34Å; L163-V184 HydrophobicContact CD1-CG1 4.05Å; L163-V184 HydrophobicContact CD1-CG2 4.16Å |
| 164 | Y | 77.1 | Confident | 86.5 | Confident | 23 Ų | 23 | 22.7 Ų | 22.7 | 9% | 0.09 | 13% | 0.125 | C | C | . | . | P | Polyproline II helix | trans | -87.2 | 131.6 | -172.3 | -151.9 | -85 | 0 | 0 | 0 | 110.5 | T166 L167 P307 A309 P658 | Y164-T166 HydrophobicContact CD1-CG2 3.75Å; Y164-T166 WeakPolarHBondContact CD1-OG1 3.22Å; Y164-T166 HydrophobicContact CE1-CG2 3.53Å; Y164-T166 WeakPolarHBondContact CE1-OG1 3.31Å; Y164-T166 PolarHBondContact O-N 3.19Å; Y164-L167 HydrophobicContact CG-CG 4.4Å; Y164-L167 PolarHBondContact O-N 3.03Å; Y164-P307 HydrophobicContact CE2-CB 3.6Å; Y164-P307 HydrophobicContact CE2-CG 4.35Å; Y164-P307 WeakPolarHBondContact OH-CB 3.42Å; Y164-P307 VanDerWaalsContact OH-CG 3.22Å; Y164-P307 WeakPolarHBondContact OH-CG 3.4Å; Y164-A309 HydrophobicContact CD2-CB 3.34Å; Y164-A309 HydrophobicContact CE2-CB 3.87Å; Y164-A309 HydrophobicContact CG-CB 4.32Å; Y164-P658 HydrophobicContact CD1-CB 3.81Å; Y164-P658 HydrophobicContact CD1-CG 3.6Å; Y164-P658 HydrophobicContact CD2-CB 4.48Å; Y164-P658 VanDerWaalsContact CE1-CA 3.43Å; Y164-P658 HydrophobicContact CE1-CB 3.21Å; Y164-P658 HydrophobicContact CE1-CG 3.53Å; Y164-P658 HydrophobicContact CE2-CB 3.99Å; Y164-P658 HydrophobicContact CG-CB 4.43Å; Y164-P658 HydrophobicContact CG-CG 4.21Å; Y164-P658 VanDerWaalsContact OH-C 3.3Å; Y164-P658 WeakPolarHBondContact OH-CA 3.26Å; Y164-P658 WeakPolarHBondContact OH-CB 3.44Å; Y164-P658 PolarHBondContact OH-O 2.84Å |
| 165 | D | 68.6 | Low | 86.3 | Confident | 60 Ų | 60 | 22.6 Ų | 22.6 | 32% | 0.321 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -19.5 | 178.6 | -74.2 | 5.7 | 0 | 0 | 0 | 115.1 | F139 Q141 K191 | F139-D165 VanDerWaalsContact CE2-OD1 3.3Å; F139-D165 WeakPolarHBondContact CE2-OD1 3.42Å; Q141-D165 WeakPolarHBondContact CG-OD2 3.46Å; D165-K191 VanDerWaalsContact OD1-CE 3.29Å; D165-K191 WeakPolarHBondContact OD1-CE 3.37Å; D165-K191 IonicContact OD1-NZ 3.51Å; D165-K191 PolarHBondContact OD1-NZ 2.73Å; D165-K191 WeakPolarHBondContact OD2-CE 3.4Å; D165-K191 IonicContact OD2-NZ 3.25Å; D165-K191 PolarHBondContact OD2-NZ 3.33Å |
| 166 | T | 61.3 | Low | 86.2 | Confident | 32 Ų | 32 | 22.4 Ų | 22.4 | 20% | 0.196 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.1 | -1 | -163.3 | 84.7 | 0 | 0 | 0 | 0 | 114.8 | Y164 G168 I651 P658 | Y164-T166 HydrophobicContact CD1-CG2 3.75Å; Y164-T166 WeakPolarHBondContact CD1-OG1 3.22Å; Y164-T166 HydrophobicContact CE1-CG2 3.53Å; Y164-T166 WeakPolarHBondContact CE1-OG1 3.31Å; Y164-T166 PolarHBondContact O-N 3.19Å; T166-G168 PolarHBondContact O-N 3.24Å; T166-I651 HydrophobicContact CG2-CD1 4.22Å; T166-I651 HydrophobicContact CG2-CG2 3.28Å; T166-P658 WeakPolarHBondContact OG1-CA 3.34Å; T166-P658 VanDerWaalsContact OG1-CD 3.22Å; T166-P658 WeakPolarHBondContact OG1-CD 3.34Å; T166-P658 WeakPolarHBondContact OG1-CG 3.47Å |
| 167 | L | 62.6 | Low | 86.1 | Confident | 28 Ų | 28 | 25 Ų | 25 | 15% | 0.147 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -74.4 | -14.4 | 175 | -75.1 | 171.6 | 0 | 0 | 0 | 112.2 | Y164 A171 I175 P658 | Y164-L167 HydrophobicContact CG-CG 4.4Å; Y164-L167 PolarHBondContact O-N 3.03Å; L167-A171 HydrophobicContact CB-CB 3.63Å; L167-A171 VanDerWaalsContact O-CB 3.25Å; L167-A171 WeakPolarHBondContact O-CB 3.37Å; L167-I175 HydrophobicContact CD1-CD1 3.87Å; L167-P658 HydrophobicContact CD2-CG 4.11Å; L167-P658 HydrophobicContact CG-CG 4.42Å |
| 168 | G | 69.5 | Low | 86 | Confident | 23 Ų | 23 | 27 Ų | 27 | 24% | 0.237 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | 84.5 | 162.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | T166 E170 A171 L172 | T166-G168 PolarHBondContact O-N 3.24Å; G168-E170 VanDerWaalsContact C-N 3.32Å; G168-E170 PolarHBondContact O-N 3.06Å; G168-A171 PolarHBondContact O-N 2.83Å; G168-L172 WeakPolarHBondContact O-CG 3.33Å; G168-L172 PolarHBondContact O-N 3.04Å; G168-L172 VanDerWaalsContact O-N 3.16Å |
| 169 | P | 77.5 | Confident | 85.9 | Confident | 54 Ų | 54 | 27.1 Ų | 27.1 | 35% | 0.351 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -57.6 | -38.2 | -177.9 | -25.6 | 35.8 | 0 | 0 | 0 | 114.4 | A171 L172 V173 V194 | P169-A171 PolarHBondContact O-N 3.32Å; P169-L172 WeakPolarHBondContact O-CB 3.26Å; P169-L172 PolarHBondContact O-N 2.77Å; P169-V173 WeakPolarHBondContact O-CG2 3.25Å; P169-V173 PolarHBondContact O-N 3.04Å; P169-V194 HydrophobicContact CG-CG1 4.5Å |
| 170 | E | 77.4 | Confident | 85.9 | Confident | 147 Ų | 147 | 28.8 Ų | 28.8 | 69% | 0.687 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -64.9 | -43.8 | -177 | -62.8 | 72.1 | -157.4 | 0 | 0 | 111.1 | G168 V173 F174 | G168-E170 VanDerWaalsContact C-N 3.32Å; G168-E170 PolarHBondContact O-N 3.06Å; E170-V173 PolarHBondContact O-N 2.95Å; E170-F174 PolarHBondContact O-N 3.04Å |
| 171 | A | 78.1 | Confident | 85.9 | Confident | 12 Ų | 12 | 28.8 Ų | 28.8 | 10% | 0.099 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.6 | -38.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L167 G168 P169 V173 F174 I175 P269 | L167-A171 HydrophobicContact CB-CB 3.63Å; L167-A171 VanDerWaalsContact O-CB 3.25Å; L167-A171 WeakPolarHBondContact O-CB 3.37Å; G168-A171 PolarHBondContact O-N 2.83Å; P169-A171 PolarHBondContact O-N 3.32Å; A171-V173 PolarHBondContact O-N 3.38Å; A171-F174 PolarHBondContact O-N 3.03Å; A171-I175 WeakPolarHBondContact O-CB 3.25Å; A171-I175 WeakPolarHBondContact O-CD1 3.29Å; A171-I175 WeakPolarHBondContact O-CG1 3.34Å; A171-I175 PolarHBondContact O-N 2.66Å; A171-P269 HydrophobicContact CB-CG 3.86Å |
| 172 | L | 87.4 | Confident | 85.9 | Confident | 6 Ų | 6 | 30.3 Ų | 30.3 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.6 | -46.5 | 175.2 | -70.6 | 170.9 | 0 | 0 | 0 | 111.4 | F139 L163 G168 P169 F174 I175 I176 V194 | F139-L172 HydrophobicContact CD2-CD2 4.5Å; F139-L172 HydrophobicContact CE1-CD1 3.89Å; F139-L172 HydrophobicContact CE2-CD1 4.25Å; F139-L172 HydrophobicContact CE2-CD2 4.22Å; F139-L172 HydrophobicContact CZ-CD1 3.6Å; F139-L172 HydrophobicContact CZ-CD2 4.33Å; L163-L172 HydrophobicContact CB-CD2 3.7Å; L163-L172 HydrophobicContact CD1-CD2 4.4Å; L163-L172 HydrophobicContact CD2-CD2 4.2Å; L163-L172 HydrophobicContact CG-CD2 4.31Å; G168-L172 WeakPolarHBondContact O-CG 3.33Å; G168-L172 PolarHBondContact O-N 3.04Å; G168-L172 VanDerWaalsContact O-N 3.16Å; P169-L172 WeakPolarHBondContact O-CB 3.26Å; P169-L172 PolarHBondContact O-N 2.77Å; L172-F174 PolarHBondContact O-N 3.31Å; L172-I175 PolarHBondContact O-N 2.99Å; L172-I176 WeakPolarHBondContact O-CB 3.46Å; L172-I176 VanDerWaalsContact O-CG1 3.28Å; L172-I176 WeakPolarHBondContact O-CG1 3.36Å; L172-I176 PolarHBondContact O-N 3.1Å; L172-V194 HydrophobicContact CD1-CG1 4.45Å |
| 173 | V | 91.7 | Very high | 86 | Confident | 20 Ų | 20 | 30.1 Ų | 30.1 | 12% | 0.121 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -56.6 | -50.3 | 175 | 168.1 | 0 | 0 | 0 | 0 | 110.8 | P169 E170 A171 I175 I176 N177 N198 Q203 T204 | P169-V173 WeakPolarHBondContact O-CG2 3.25Å; P169-V173 PolarHBondContact O-N 3.04Å; E170-V173 PolarHBondContact O-N 2.95Å; A171-V173 PolarHBondContact O-N 3.38Å; V173-I175 PolarHBondContact O-N 3.01Å; V173-I176 PolarHBondContact O-N 2.88Å; V173-N177 PolarHBondContact O-N 3.49Å; V173-N177 VanDerWaalsContact O-N 3.15Å; V173-N177 PolarHBondContact O-ND2 3.21Å; V173-N177 VanDerWaalsContact O-ND2 3.14Å; V173-N198 HydrophobicContact CG2-CB 3.75Å; V173-Q203 HydrophobicContact CG1-CB 3.84Å; V173-Q203 WeakPolarHBondContact CG1-O 3.47Å; V173-Q203 HydrophobicContact CG2-CB 4.08Å; V173-T204 HydrophobicContact CB-CG2 4.27Å; V173-T204 HydrophobicContact CG1-CG2 4.28Å; V173-T204 HydrophobicContact CG2-CG2 4Å |
| 174 | F | 90.2 | Very high | 86.3 | Confident | 51 Ų | 51 | 30 Ų | 30 | 22% | 0.224 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.5 | -49.6 | 179 | 177.3 | -92.6 | 0 | 0 | 0 | 111.5 | E170 A171 L172 I176 N177 Q178 F261 N268 P269 | E170-F174 PolarHBondContact O-N 3.04Å; A171-F174 PolarHBondContact O-N 3.03Å; L172-F174 PolarHBondContact O-N 3.31Å; F174-I176 PolarHBondContact O-N 2.83Å; F174-N177 PolarHBondContact O-N 2.84Å; F174-Q178 HydrophobicContact CD1-CB 4.44Å; F174-Q178 HydrophobicContact CE1-CB 4.08Å; F174-Q178 HydrophobicContact CE1-CG 4.12Å; F174-Q178 HydrophobicContact CZ-CB 4.27Å; F174-Q178 HydrophobicContact CZ-CG 4.15Å; F174-Q178 WeakPolarHBondContact O-CB 3.36Å; F174-Q178 PolarHBondContact O-N 3.22Å; F174-F261 HydrophobicContact CE1-CE1 4.15Å; F174-N268 HydrophobicContact CD1-CB 4.25Å; F174-N268 HydrophobicContact CD2-CB 4.07Å; F174-N268 HydrophobicContact CE1-CB 3.99Å; F174-N268 HydrophobicContact CE2-CB 3.79Å; F174-N268 HydrophobicContact CG-CB 4.3Å; F174-N268 HydrophobicContact CZ-CB 3.75Å; F174-P269 WeakPolarHBondContact CE1-O 3.32Å |
| 175 | I | 93.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.1 | -47.2 | -177.7 | -67.6 | 166.1 | 0 | 0 | 0 | 111.3 | V161 L163 L167 A171 L172 V173 N177 Q178 A179 I181 F261 | V161-I175 HydrophobicContact CG1-CG2 3.84Å; L163-I175 HydrophobicContact CD2-CB 4.11Å; L163-I175 HydrophobicContact CD2-CG2 3.41Å; L163-I175 VanDerWaalsContact CD2-CG2 3.41Å; L167-I175 HydrophobicContact CD1-CD1 3.87Å; A171-I175 WeakPolarHBondContact O-CB 3.25Å; A171-I175 WeakPolarHBondContact O-CD1 3.29Å; A171-I175 WeakPolarHBondContact O-CG1 3.34Å; A171-I175 PolarHBondContact O-N 2.66Å; L172-I175 PolarHBondContact O-N 2.99Å; V173-I175 PolarHBondContact O-N 3.01Å; I175-N177 VanDerWaalsContact C-N 3.3Å; I175-N177 PolarHBondContact O-N 3.23Å; I175-Q178 PolarHBondContact O-N 3.16Å; I175-A179 WeakPolarHBondContact O-CB 3.44Å; I175-A179 PolarHBondContact O-N 3.5Å; I175-I181 HydrophobicContact CG2-CD1 4.28Å; I175-F261 HydrophobicContact CB-CD2 4.34Å; I175-F261 HydrophobicContact CB-CE2 4.38Å; I175-F261 HydrophobicContact CB-CG 4.44Å; I175-F261 HydrophobicContact CB-CZ 4.46Å; I175-F261 HydrophobicContact CD1-CB 3.7Å; I175-F261 HydrophobicContact CD1-CD1 4.37Å; I175-F261 HydrophobicContact CD1-CD2 4.34Å; I175-F261 HydrophobicContact CD1-CG 3.9Å; I175-F261 HydrophobicContact CG1-CB 3.97Å; I175-F261 HydrophobicContact CG1-CD1 3.66Å; I175-F261 HydrophobicContact CG1-CD2 3.96Å; I175-F261 HydrophobicContact CG1-CE1 4.05Å; I175-F261 HydrophobicContact CG1-CE2 4.36Å; I175-F261 HydrophobicContact CG1-CG 3.58Å; I175-F261 HydrophobicContact CG1-CZ 4.38Å; I175-F261 HydrophobicContact CG2-CD2 3.56Å; I175-F261 HydrophobicContact CG2-CE2 3.53Å; I175-F261 HydrophobicContact CG2-CG 4.11Å; I175-F261 HydrophobicContact CG2-CZ 4.02Å |
| 176 | I | 97.1 | Very high | 88.8 | Confident | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.7 | -45.2 | -179.8 | -73.9 | 167.6 | 0 | 0 | 0 | 110.6 | L163 L172 V173 F174 G180 I181 L195 T204 V206 | L163-I176 HydrophobicContact CD1-CD1 4.47Å; L163-I176 HydrophobicContact CD1-CG1 4.34Å; L172-I176 WeakPolarHBondContact O-CB 3.46Å; L172-I176 VanDerWaalsContact O-CG1 3.28Å; L172-I176 WeakPolarHBondContact O-CG1 3.36Å; L172-I176 PolarHBondContact O-N 3.1Å; V173-I176 PolarHBondContact O-N 2.88Å; F174-I176 PolarHBondContact O-N 2.83Å; I176-G180 CarbonylContact O-C 3.51Å; I176-G180 WeakPolarHBondContact O-CA 3.15Å; I176-G180 PolarHBondContact O-N 3.5Å; I176-I181 HydrophobicContact CG1-CD1 4.49Å; I176-I181 HydrophobicContact CG2-CB 4.39Å; I176-I181 PolarHBondContact O-N 3.03Å; I176-L195 HydrophobicContact CD1-CD2 3.67Å; I176-T204 HydrophobicContact CB-CG2 4.14Å; I176-T204 HydrophobicContact CD1-CG2 4.12Å; I176-T204 HydrophobicContact CG2-CG2 3.9Å; I176-V206 HydrophobicContact CG2-CG2 3.64Å |
| 177 | N | 97 | Very high | 90.4 | Very high | 55 Ų | 55 | 24.8 Ų | 24.8 | 29% | 0.294 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -73.1 | -44.4 | 179.3 | -67.9 | -36 | 0 | 0 | 0 | 112.4 | V173 F174 I175 A179 G180 Q203 | V173-N177 PolarHBondContact O-N 3.49Å; V173-N177 VanDerWaalsContact O-N 3.15Å; V173-N177 PolarHBondContact O-ND2 3.21Å; V173-N177 VanDerWaalsContact O-ND2 3.14Å; F174-N177 PolarHBondContact O-N 2.84Å; I175-N177 VanDerWaalsContact C-N 3.3Å; I175-N177 PolarHBondContact O-N 3.23Å; N177-A179 VanDerWaalsContact C-N 3.32Å; N177-A179 PolarHBondContact O-N 3.4Å; N177-G180 PolarHBondContact O-N 2.92Å; N177-G180 VanDerWaalsContact O-N 3.11Å; N177-Q203 PolarHBondContact ND2-O 2.86Å |
| 178 | Q | 95.9 | Very high | 92 | Very high | 46 Ų | 46 | 25.1 Ų | 25.1 | 22% | 0.215 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.9 | -44.4 | -178.5 | -173.2 | 70.1 | -2.8 | 0 | 0 | 111 | F174 I175 F261 L506 K507 | F174-Q178 HydrophobicContact CD1-CB 4.44Å; F174-Q178 HydrophobicContact CE1-CB 4.08Å; F174-Q178 HydrophobicContact CE1-CG 4.12Å; F174-Q178 HydrophobicContact CZ-CB 4.27Å; F174-Q178 HydrophobicContact CZ-CG 4.15Å; F174-Q178 WeakPolarHBondContact O-CB 3.36Å; F174-Q178 PolarHBondContact O-N 3.22Å; I175-Q178 PolarHBondContact O-N 3.16Å; Q178-F261 HydrophobicContact CB-CE1 4.38Å; Q178-F261 HydrophobicContact CB-CZ 4.26Å; Q178-F261 HydrophobicContact CG-CE1 4.15Å; Q178-F261 HydrophobicContact CG-CZ 4.17Å; Q178-L506 PolarHBondContact NE2-O 3.02Å; Q178-K507 WeakPolarHBondContact O-CD 3.26Å; Q178-K507 WeakPolarHBondContact O-CE 3.13Å; Q178-K507 PolarHBondContact O-NZ 2.97Å |
| 179 | A | 96.9 | Very high | 93.3 | Very high | 3 Ų | 3 | 26.3 Ų | 26.3 | 3% | 0.025 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -86.9 | -4.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | F135 V161 I175 N177 I181 F261 L506 | F135-A179 HydrophobicContact CB-CB 4.45Å; F135-A179 WeakPolarHBondContact CD2-O 3.37Å; F135-A179 HydrophobicContact CG-CB 4.37Å; V161-A179 HydrophobicContact CG2-CB 4.28Å; I175-A179 WeakPolarHBondContact O-CB 3.44Å; I175-A179 PolarHBondContact O-N 3.5Å; N177-A179 VanDerWaalsContact C-N 3.32Å; N177-A179 PolarHBondContact O-N 3.4Å; A179-I181 VanDerWaalsContact C-N 3.35Å; A179-I181 HydrophobicContact CB-CD1 4.02Å; A179-I181 HydrophobicContact CB-CG1 3.74Å; A179-I181 PolarHBondContact O-N 3.34Å; A179-F261 HydrophobicContact CB-CE2 4.38Å; A179-F261 HydrophobicContact CB-CZ 4.43Å; A179-L506 HydrophobicContact CB-CD2 3.78Å |
| 180 | G | 97.4 | Very high | 94.2 | Very high | 36 Ų | 36 | 31.5 Ų | 31.5 | 37% | 0.371 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 39.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | I176 N177 S182 | I176-G180 CarbonylContact O-C 3.51Å; I176-G180 WeakPolarHBondContact O-CA 3.15Å; I176-G180 PolarHBondContact O-N 3.5Å; N177-G180 PolarHBondContact O-N 2.92Å; N177-G180 VanDerWaalsContact O-N 3.11Å; G180-S182 PolarHBondContact O-N 3.43Å |
| 181 | I | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -75.8 | 109.8 | -172.1 | -58.1 | 175.3 | 0 | 0 | 0 | 110.1 | F135 V161 L163 I175 I176 A179 M183 V184 | F135-I181 HydrophobicContact CB-CG1 4.26Å; V161-I181 HydrophobicContact CB-CD1 3.81Å; V161-I181 HydrophobicContact CG1-CD1 3.8Å; V161-I181 HydrophobicContact CG2-CD1 4.27Å; L163-I181 HydrophobicContact CD2-CD1 4.34Å; I175-I181 HydrophobicContact CG2-CD1 4.28Å; I176-I181 HydrophobicContact CG1-CD1 4.49Å; I176-I181 HydrophobicContact CG2-CB 4.39Å; I176-I181 PolarHBondContact O-N 3.03Å; A179-I181 VanDerWaalsContact C-N 3.35Å; A179-I181 HydrophobicContact CB-CD1 4.02Å; A179-I181 HydrophobicContact CB-CG1 3.74Å; A179-I181 PolarHBondContact O-N 3.34Å; I181-M183 WeakPolarHBondContact CG2-O 3.27Å; I181-V184 HydrophobicContact CG2-CG2 3.83Å | ||
| 182 | S | 98.2 | Very high | 95.9 | Very high | 31 Ų | 31 | 25 Ų | 25 | 22% | 0.217 | 13% | 0.131 | C | C | . | . | trans | -92.2 | -16.1 | 175.5 | 64.6 | 0 | 0 | 0 | 0 | 114.6 | G180 V206 K208 T209 | G180-S182 PolarHBondContact O-N 3.43Å; S182-V206 VanDerWaalsContact CA-O 3.24Å; S182-V206 WeakPolarHBondContact CA-O 3.2Å; S182-V206 WeakPolarHBondContact CB-O 3.45Å; S182-K208 PolarHBondContact O-N 3.14Å; S182-T209 PolarHBondContact O-N 3.15Å | ||
| 183 | M | 98.6 | Very high | 96.3 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 123.3 | -175.4 | 175.4 | 90.5 | -100.8 | 0 | 0 | 109.2 | L123 L128 I136 G137 I181 T209 A211 L237 | L123-M183 HydrophobicContact CD2-CG 3.77Å; L123-M183 HydrophobicContact CD2-SD 3.56Å; L123-M183 VanDerWaalsContact CD2-SD 3.56Å; L128-M183 HydrophobicContact CD1-CB 3.86Å; L128-M183 HydrophobicContact CD1-CG 3.86Å; L128-M183 HydrophobicContact CD1-SD 4.25Å; L128-M183 HydrophobicContact CD2-CB 4.34Å; I136-M183 HydrophobicContact CD1-CB 4.17Å; I136-M183 HydrophobicContact CD1-CG 4.29Å; I136-M183 HydrophobicContact CG2-CG 4.39Å; G137-M183 PolarHBondContact N-O 2.87Å; I181-M183 WeakPolarHBondContact CG2-O 3.27Å; M183-T209 WeakPolarHBondContact CA-O 3.25Å; M183-T209 VanDerWaalsContact CE-CB 3.46Å; M183-T209 HydrophobicContact CE-CG2 3.3Å; M183-T209 WeakPolarHBondContact CE-O 3.39Å; M183-T209 HydrophobicContact SD-CG2 4.01Å; M183-A211 HydrophobicContact CE-CB 3.71Å; M183-L237 HydrophobicContact CE-CD1 4.43Å |
| 184 | V | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 125.9 | 173.4 | 179.6 | 0 | 0 | 0 | 0 | 110.4 | G137 F139 L163 I181 C186 L195 L207 T209 V210 A211 | G137-V184 CarbonylContact O-C 3.12Å; G137-V184 VanDerWaalsContact O-CA 3.29Å; G137-V184 WeakPolarHBondContact O-CA 3.43Å; F139-V184 HydrophobicContact CB-CG1 3.9Å; L163-V184 HydrophobicContact CD1-CG1 4.05Å; L163-V184 HydrophobicContact CD1-CG2 4.16Å; I181-V184 HydrophobicContact CG2-CG2 3.83Å; V184-C186 HydrophobicContact CG1-CB 4.48Å; V184-L195 HydrophobicContact CB-CD1 4.1Å; V184-L195 HydrophobicContact CG1-CD1 3.75Å; V184-L195 HydrophobicContact CG2-CD1 4.45Å; V184-L207 HydrophobicContact CB-CD1 4.33Å; V184-L207 HydrophobicContact CG2-CD1 3.69Å; V184-T209 PolarHBondContact N-O 3.48Å; V184-V210 CarbonylContact O-C 3.6Å; V184-V210 WeakPolarHBondContact O-CA 3.41Å; V184-A211 PolarHBondContact O-N 3.39Å |
| 185 | L | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 119.7 | 166.2 | -53.9 | -176 | 0 | 0 | 0 | 108.2 | L119 L123 I136 G137 I138 F139 A211 M213 | L119-L185 HydrophobicContact CD2-CD1 4.23Å; L123-L185 HydrophobicContact CD2-CD2 4.49Å; I136-L185 HydrophobicContact CG2-CD1 4.31Å; I136-L185 HydrophobicContact CG2-CG 4.07Å; G137-L185 PolarHBondContact O-N 3.08Å; I138-L185 CarbonylContact C-O 3.56Å; I138-L185 WeakPolarHBondContact CA-O 3.42Å; I138-L185 HydrophobicContact CD1-CD1 4.41Å; I138-L185 HydrophobicContact CG1-CB 4.5Å; I138-L185 HydrophobicContact CG1-CD1 4.3Å; I138-L185 HydrophobicContact CG2-CB 3.92Å; F139-L185 PolarHBondContact N-O 3.32Å; L185-A211 CarbonylContact C-O 3.49Å; L185-A211 WeakPolarHBondContact CA-O 3.46Å; L185-A211 HydrophobicContact CD2-CB 3.77Å; L185-M213 HydrophobicContact CB-CE 3.92Å |
| 186 | C | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 138.5 | -168.3 | -172.3 | 0 | 0 | 0 | 0 | 110.8 | F139 V184 N188 K191 A192 V210 A211 L212 M213 | F139-C186 WeakPolarHBondContact O-CA 3.42Å; V184-C186 HydrophobicContact CG1-CB 4.48Å; C186-N188 PolarHBondContact SG-O 2.93Å; C186-K191 WeakPolarHBondContact SG-CB 3.4Å; C186-A192 PolarHBondContact SG-N 3.35Å; C186-V210 HydrophobicContact CB-CG1 3.73Å; C186-A211 PolarHBondContact N-O 2.95Å; C186-L212 CarbonylContact O-C 3.6Å; C186-L212 VanDerWaalsContact O-CA 3.26Å; C186-L212 WeakPolarHBondContact O-CA 3.23Å; C186-M213 WeakPolarHBondContact O-CG 3.42Å; C186-M213 PolarHBondContact O-N 2.97Å |
| 187 | D | 95.8 | Very high | 96.9 | Very high | 4 Ų | 4 | 30.6 Ų | 30.6 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -70.2 | -50 | -177.6 | 52.7 | 13.5 | 0 | 0 | 0 | 113.2 | F139 A140 Q141 K191 M213 E214 | F139-D187 PolarHBondContact O-N 3.45Å; F139-D187 VanDerWaalsContact O-N 3.09Å; A140-D187 VanDerWaalsContact CA-OD2 3.24Å; A140-D187 WeakPolarHBondContact CA-OD2 3.43Å; A140-D187 HydrophobicContact CB-CB 3.54Å; Q141-D187 PolarHBondContact N-OD2 2.99Å; D187-K191 WeakPolarHBondContact OD1-CD 3.24Å; D187-K191 VanDerWaalsContact OD1-CE 3.31Å; D187-K191 WeakPolarHBondContact OD1-CE 3.39Å; D187-K191 IonicContact OD1-NZ 2.96Å; D187-K191 PolarHBondContact OD1-NZ 2.77Å; D187-K191 IonicContact OD2-NZ 3.55Å; D187-K191 PolarHBondContact OD2-NZ 3.21Å; D187-M213 HydrophobicContact CB-SD 4.32Å; D187-E214 VanDerWaalsContact O-CB 3.24Å; D187-E214 WeakPolarHBondContact O-CB 3.35Å; D187-E214 VanDerWaalsContact O-CG 3.27Å; D187-E214 WeakPolarHBondContact O-CG 3.01Å; D187-E214 PolarHBondContact O-N 3.19Å |
| 188 | N | 96.1 | Very high | 96.8 | Very high | 36 Ų | 36 | 28.6 Ų | 28.6 | 19% | 0.193 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -137 | 165.5 | -169.3 | 70 | 59 | 0 | 0 | 0 | 113.9 | C186 K190 K191 A192 L212 E214 | C186-N188 PolarHBondContact SG-O 2.93Å; N188-K190 PolarHBondContact O-N 3.11Å; N188-K190 WeakPolarHBondContact OD1-CB 3.21Å; N188-K190 PolarHBondContact OD1-N 3.44Å; N188-K191 PolarHBondContact O-N 3.32Å; N188-K191 PolarHBondContact OD1-N 2.92Å; N188-A192 PolarHBondContact O-N 3.49Å; N188-L212 WeakPolarHBondContact O-CD2 3.26Å; N188-E214 WeakPolarHBondContact CB-OE2 3.34Å |
| 189 | Q | 97.5 | Very high | 96.9 | Very high | 48 Ų | 48 | 27.8 Ų | 27.8 | 22% | 0.224 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.8 | -39.8 | -177.5 | 169.3 | 160.3 | -13.2 | 0 | 0 | 113.4 | K191 A192 E193 F216 S217 L220 | Q189-K191 VanDerWaalsContact C-N 3.29Å; Q189-K191 PolarHBondContact O-N 3.37Å; Q189-A192 WeakPolarHBondContact O-CB 3.37Å; Q189-A192 PolarHBondContact O-N 3.35Å; Q189-A192 VanDerWaalsContact O-N 3.12Å; Q189-E193 HydrophobicContact CG-CG 4.23Å; Q189-E193 WeakPolarHBondContact CG-OE1 3.37Å; Q189-E193 PolarHBondContact NE2-OE1 2.87Å; Q189-E193 WeakPolarHBondContact O-CG 3.31Å; Q189-E193 PolarHBondContact O-N 3.46Å; Q189-F216 HydrophobicContact CB-CB 4.3Å; Q189-S217 PolarHBondContact NE2-OG 2.7Å; Q189-L220 HydrophobicContact CB-CD2 4.31Å; Q189-L220 HydrophobicContact CG-CD1 4.38Å; Q189-L220 HydrophobicContact CG-CD2 3.95Å |
| 190 | K | 94.8 | Very high | 96.9 | Very high | 163 Ų | 163 | 31.8 Ų | 31.8 | 71% | 0.709 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -60.9 | -41.1 | -178.4 | -63.9 | -177.8 | 178.8 | -179.7 | 0 | 111.4 | N188 E193 V194 | N188-K190 PolarHBondContact O-N 3.11Å; N188-K190 WeakPolarHBondContact OD1-CB 3.21Å; N188-K190 PolarHBondContact OD1-N 3.44Å; K190-E193 PolarHBondContact O-N 2.9Å; K190-V194 PolarHBondContact O-N 2.74Å |
| 191 | K | 94.9 | Very high | 96.8 | Very high | 22 Ų | 22 | 36.3 Ų | 36.3 | 10% | 0.096 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.3 | -39.1 | 175.9 | -71.4 | -166.2 | -161.2 | 169.1 | 0 | 112.2 | F139 D165 C186 D187 N188 Q189 E193 V194 L195 | F139-K191 HydrophobicContact CD1-CB 3.78Å; F139-K191 HydrophobicContact CD1-CD 3.94Å; F139-K191 HydrophobicContact CD1-CG 4.26Å; F139-K191 HydrophobicContact CD2-CD 3.93Å; F139-K191 HydrophobicContact CE1-CB 3.57Å; F139-K191 HydrophobicContact CE1-CD 3.77Å; F139-K191 HydrophobicContact CE1-CG 3.79Å; F139-K191 HydrophobicContact CE2-CD 3.79Å; F139-K191 HydrophobicContact CG-CD 4.02Å; F139-K191 HydrophobicContact CZ-CB 4.25Å; F139-K191 HydrophobicContact CZ-CD 3.69Å; F139-K191 HydrophobicContact CZ-CG 3.94Å; D165-K191 VanDerWaalsContact OD1-CE 3.29Å; D165-K191 WeakPolarHBondContact OD1-CE 3.37Å; D165-K191 IonicContact OD1-NZ 3.51Å; D165-K191 PolarHBondContact OD1-NZ 2.73Å; D165-K191 WeakPolarHBondContact OD2-CE 3.4Å; D165-K191 IonicContact OD2-NZ 3.25Å; D165-K191 PolarHBondContact OD2-NZ 3.33Å; C186-K191 WeakPolarHBondContact SG-CB 3.4Å; D187-K191 WeakPolarHBondContact OD1-CD 3.24Å; D187-K191 VanDerWaalsContact OD1-CE 3.31Å; D187-K191 WeakPolarHBondContact OD1-CE 3.39Å; D187-K191 IonicContact OD1-NZ 2.96Å; D187-K191 PolarHBondContact OD1-NZ 2.77Å; D187-K191 IonicContact OD2-NZ 3.55Å; D187-K191 PolarHBondContact OD2-NZ 3.21Å; N188-K191 PolarHBondContact O-N 3.32Å; N188-K191 PolarHBondContact OD1-N 2.92Å; Q189-K191 VanDerWaalsContact C-N 3.29Å; Q189-K191 PolarHBondContact O-N 3.37Å; K191-E193 VanDerWaalsContact C-N 3.32Å; K191-E193 PolarHBondContact O-N 3.08Å; K191-V194 WeakPolarHBondContact O-CB 3.31Å; K191-V194 PolarHBondContact O-N 3.43Å; K191-L195 PolarHBondContact O-N 2.89Å; K191-L195 VanDerWaalsContact O-N 3.14Å |
| 192 | A | 97.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.6 | -38.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | C186 N188 Q189 V194 L195 L196 V210 L212 L220 | C186-A192 PolarHBondContact SG-N 3.35Å; N188-A192 PolarHBondContact O-N 3.49Å; Q189-A192 WeakPolarHBondContact O-CB 3.37Å; Q189-A192 PolarHBondContact O-N 3.35Å; Q189-A192 VanDerWaalsContact O-N 3.12Å; A192-V194 VanDerWaalsContact C-N 3.3Å; A192-V194 PolarHBondContact O-N 2.73Å; A192-L195 WeakPolarHBondContact O-CB 3.26Å; A192-L195 PolarHBondContact O-N 2.74Å; A192-L195 VanDerWaalsContact O-N 3.15Å; A192-L196 WeakPolarHBondContact O-CG 3.22Å; A192-L196 PolarHBondContact O-N 3.15Å; A192-V210 HydrophobicContact CB-CG1 4.07Å; A192-L212 HydrophobicContact CB-CD1 4.13Å; A192-L212 HydrophobicContact CB-CD2 3.96Å; A192-L212 HydrophobicContact CB-CG 4.29Å; A192-L220 HydrophobicContact CB-CD2 4.07Å |
| 193 | E | 96.9 | Very high | 96.6 | Very high | 68 Ų | 68 | 41.4 Ų | 41.4 | 32% | 0.318 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.3 | -35.8 | 174.8 | -72.5 | 168.5 | 176.1 | 0 | 0 | 112.5 | Q189 K190 K191 L196 L197 L220 | Q189-E193 HydrophobicContact CG-CG 4.23Å; Q189-E193 WeakPolarHBondContact CG-OE1 3.37Å; Q189-E193 PolarHBondContact NE2-OE1 2.87Å; Q189-E193 WeakPolarHBondContact O-CG 3.31Å; Q189-E193 PolarHBondContact O-N 3.46Å; K190-E193 PolarHBondContact O-N 2.9Å; K191-E193 VanDerWaalsContact C-N 3.32Å; K191-E193 PolarHBondContact O-N 3.08Å; E193-L196 PolarHBondContact O-N 3.33Å; E193-L197 VanDerWaalsContact O-CB 3.26Å; E193-L197 WeakPolarHBondContact O-CB 3.2Å; E193-L197 PolarHBondContact O-N 2.7Å; E193-L220 HydrophobicContact CG-CD1 3.73Å |
| 194 | V | 94.1 | Very high | 96.5 | Very high | 49 Ų | 49 | 41.4 Ų | 41.4 | 30% | 0.297 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64.3 | -43.8 | 172.4 | 174 | 0 | 0 | 0 | 0 | 110.8 | P169 L172 K190 K191 A192 L197 N198 | P169-V194 HydrophobicContact CG-CG1 4.5Å; L172-V194 HydrophobicContact CD1-CG1 4.45Å; K190-V194 PolarHBondContact O-N 2.74Å; K191-V194 WeakPolarHBondContact O-CB 3.31Å; K191-V194 PolarHBondContact O-N 3.43Å; A192-V194 VanDerWaalsContact C-N 3.3Å; A192-V194 PolarHBondContact O-N 2.73Å; V194-L197 PolarHBondContact O-N 3.33Å; V194-N198 PolarHBondContact O-N 3.21Å; V194-N198 PolarHBondContact O-ND2 3.33Å |
| 195 | L | 96.8 | Very high | 96.4 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.016 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.8 | -46 | 176.8 | -64.3 | 173.7 | 0 | 0 | 0 | 111.5 | F139 I176 V184 K191 A192 N198 H199 L207 V210 | F139-L195 HydrophobicContact CD1-CD1 4.27Å; F139-L195 HydrophobicContact CD1-CD2 4.34Å; F139-L195 HydrophobicContact CD1-CG 4.29Å; I176-L195 HydrophobicContact CD1-CD2 3.67Å; V184-L195 HydrophobicContact CB-CD1 4.1Å; V184-L195 HydrophobicContact CG1-CD1 3.75Å; V184-L195 HydrophobicContact CG2-CD1 4.45Å; K191-L195 PolarHBondContact O-N 2.89Å; K191-L195 VanDerWaalsContact O-N 3.14Å; A192-L195 WeakPolarHBondContact O-CB 3.26Å; A192-L195 PolarHBondContact O-N 2.74Å; A192-L195 VanDerWaalsContact O-N 3.15Å; L195-N198 PolarHBondContact O-N 2.82Å; L195-H199 WeakPolarHBondContact O-CB 3.43Å; L195-H199 PolarHBondContact O-N 3.2Å; L195-L207 HydrophobicContact CB-CD2 4.07Å; L195-V210 HydrophobicContact CD1-CG1 4.14Å; L195-V210 HydrophobicContact CD1-CG2 4Å |
| 196 | L | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.4 | -42.9 | 178.2 | -70.2 | -178 | 0 | 0 | 0 | 112.2 | A192 E193 N198 H199 E200 L220 R223 V229 I231 | A192-L196 WeakPolarHBondContact O-CG 3.22Å; A192-L196 PolarHBondContact O-N 3.15Å; E193-L196 PolarHBondContact O-N 3.33Å; L196-N198 VanDerWaalsContact C-N 3.31Å; L196-N198 PolarHBondContact O-N 2.93Å; L196-H199 WeakPolarHBondContact O-CB 3.28Å; L196-H199 PolarHBondContact O-N 2.84Å; L196-H199 VanDerWaalsContact O-N 3.1Å; L196-E200 WeakPolarHBondContact O-CB 3.14Å; L196-E200 VanDerWaalsContact O-CG 3.26Å; L196-E200 WeakPolarHBondContact O-CG 3.18Å; L196-E200 PolarHBondContact O-N 2.82Å; L196-L220 HydrophobicContact CD1-CD1 3.67Å; L196-L220 HydrophobicContact CD1-CG 4.41Å; L196-R223 HydrophobicContact CD1-CB 4.44Å; L196-R223 HydrophobicContact CD1-CG 4.16Å; L196-V229 HydrophobicContact CD2-CB 3.76Å; L196-V229 HydrophobicContact CD2-CG1 3.89Å; L196-V229 HydrophobicContact CD2-CG2 4.08Å; L196-I231 HydrophobicContact CD1-CD1 4.24Å; L196-I231 HydrophobicContact CD2-CD1 4.17Å; L196-I231 HydrophobicContact CG-CD1 4.46Å |
| 197 | L | 96.5 | Very high | 96.4 | Very high | 76 Ų | 76 | 48.1 Ų | 48.1 | 40% | 0.398 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.4 | -42.8 | 178.1 | 179.1 | 65.1 | 0 | 0 | 0 | 112.1 | E193 V194 K201 | E193-L197 VanDerWaalsContact O-CB 3.26Å; E193-L197 WeakPolarHBondContact O-CB 3.2Å; E193-L197 PolarHBondContact O-N 2.7Å; V194-L197 PolarHBondContact O-N 3.33Å; L197-K201 WeakPolarHBondContact O-CG 3.17Å; L197-K201 PolarHBondContact O-N 2.94Å |
| 198 | N | 94.4 | Very high | 96.5 | Very high | 13 Ų | 13 | 54.4 Ų | 54.4 | 7% | 0.07 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -70.7 | -34.7 | 177 | -69.7 | -65.1 | 0 | 0 | 0 | 111.6 | V173 V194 L195 L196 K201 Q203 | V173-N198 HydrophobicContact CG2-CB 3.75Å; V194-N198 PolarHBondContact O-N 3.21Å; V194-N198 PolarHBondContact O-ND2 3.33Å; L195-N198 PolarHBondContact O-N 2.82Å; L196-N198 VanDerWaalsContact C-N 3.31Å; L196-N198 PolarHBondContact O-N 2.93Å; N198-K201 PolarHBondContact O-N 2.92Å; N198-Q203 VanDerWaalsContact O-CB 3.3Å; N198-Q203 WeakPolarHBondContact O-CB 3.38Å; N198-Q203 PolarHBondContact O-N 2.84Å; N198-Q203 PolarHBondContact OD1-OE1 3.47Å; N198-Q203 VanDerWaalsContact OD1-OE1 3.07Å |
| 199 | H | 97.1 | Very high | 96.6 | Very high | 29 Ų | 29 | 53.5 Ų | 53.5 | 13% | 0.134 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.4 | -43.6 | 175.5 | -170.9 | 81.4 | 0 | 0 | 0 | 112.4 | L195 L196 K201 G202 T204 L207 C227 V229 | L195-H199 WeakPolarHBondContact O-CB 3.43Å; L195-H199 PolarHBondContact O-N 3.2Å; L196-H199 WeakPolarHBondContact O-CB 3.28Å; L196-H199 PolarHBondContact O-N 2.84Å; L196-H199 VanDerWaalsContact O-N 3.1Å; H199-K201 PolarHBondContact O-N 3.38Å; H199-G202 WeakPolarHBondContact O-CA 3.49Å; H199-G202 PolarHBondContact O-N 3.43Å; H199-T204 VanDerWaalsContact CA-OG1 3.27Å; H199-T204 WeakPolarHBondContact CA-OG1 3.4Å; H199-T204 WeakPolarHBondContact CB-OG1 3.41Å; H199-T204 PolarHBondContact CE1-O 3.08Å; H199-T204 PolarHBondContact N-OG1 3.34Å; H199-T204 PolarHBondContact ND1-O 3.3Å; H199-L207 PolarHBondContact CE1-O 3.15Å; H199-C227 PolarHBondContact CD2-O 2.96Å; H199-C227 PolarHBondContact NE2-O 2.86Å; H199-C227 VanDerWaalsContact NE2-O 3.08Å; H199-V229 HydrophobicContact CB-CG2 4.49Å; H199-V229 VanDerWaalsContact CD2-CG2 3.45Å; H199-V229 WeakPolarHBondContact CD2-CG2 3.4Å |
| 200 | E | 96.8 | Very high | 96.6 | Very high | 87 Ų | 87 | 51.2 Ų | 51.2 | 41% | 0.407 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.6 | -31.8 | 175.6 | -73.3 | 164.6 | 173.8 | 0 | 0 | 112.4 | L196 G202 R223 C227 | L196-E200 WeakPolarHBondContact O-CB 3.14Å; L196-E200 VanDerWaalsContact O-CG 3.26Å; L196-E200 WeakPolarHBondContact O-CG 3.18Å; L196-E200 PolarHBondContact O-N 2.82Å; E200-G202 PolarHBondContact O-N 2.83Å; E200-R223 VanDerWaalsContact OE1-CG 3.31Å; E200-R223 WeakPolarHBondContact OE1-CG 3.29Å; E200-R223 IonicContact OE1-CZ 3.89Å; E200-R223 IonicContact OE1-NE 3.58Å; E200-R223 PolarHBondContact OE1-NE 2.79Å; E200-R223 IonicContact OE1-NH2 2.77Å; E200-R223 PolarHBondContact OE1-NH2 3.28Å; E200-R223 IonicContact OE2-CZ 2.85Å; E200-R223 IonicContact OE2-NE 2.66Å; E200-R223 IonicContact OE2-NH2 3.81Å; E200-R223 PolarHBondContact OE2-NH2 3.34Å; E200-C227 HydrophobicContact CG-CB 3.91Å |
| 201 | K | 96.3 | Very high | 96.8 | Very high | 131 Ų | 131 | 43.5 Ų | 43.5 | 57% | 0.57 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | 1.1 | 172 | -68.4 | 172.5 | -178.2 | 179.4 | 0 | 113.5 | L197 N198 H199 Q203 | L197-K201 WeakPolarHBondContact O-CG 3.17Å; L197-K201 PolarHBondContact O-N 2.94Å; N198-K201 PolarHBondContact O-N 2.92Å; H199-K201 PolarHBondContact O-N 3.38Å; K201-Q203 VanDerWaalsContact C-N 3.28Å; K201-Q203 HydrophobicContact CB-CG 3.87Å; K201-Q203 PolarHBondContact O-N 3.46Å |
| 202 | G | 95.9 | Very high | 97 | Very high | 57 Ų | 57 | 42.5 Ų | 42.5 | 59% | 0.588 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | 14.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | H199 E200 | H199-G202 WeakPolarHBondContact O-CA 3.49Å; H199-G202 PolarHBondContact O-N 3.43Å; E200-G202 PolarHBondContact O-N 2.83Å |
| 203 | Q | 95.8 | Very high | 97 | Very high | 82 Ų | 82 | 43.6 Ų | 43.6 | 38% | 0.383 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -86.6 | -22.9 | -171.6 | -59.9 | 176.6 | -58.2 | 0 | 0 | 113.2 | V173 N177 N198 K201 P205 | V173-Q203 HydrophobicContact CG1-CB 3.84Å; V173-Q203 WeakPolarHBondContact CG1-O 3.47Å; V173-Q203 HydrophobicContact CG2-CB 4.08Å; N177-Q203 PolarHBondContact ND2-O 2.86Å; N198-Q203 VanDerWaalsContact O-CB 3.3Å; N198-Q203 WeakPolarHBondContact O-CB 3.38Å; N198-Q203 PolarHBondContact O-N 2.84Å; N198-Q203 PolarHBondContact OD1-OE1 3.47Å; N198-Q203 VanDerWaalsContact OD1-OE1 3.07Å; K201-Q203 VanDerWaalsContact C-N 3.28Å; K201-Q203 HydrophobicContact CB-CG 3.87Å; K201-Q203 PolarHBondContact O-N 3.46Å; Q203-P205 VanDerWaalsContact C-CD 3.42Å; Q203-P205 WeakPolarHBondContact O-CD 3.4Å |
| 204 | T | 96.9 | Very high | 97 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.012 | 24% | 0.238 | C | C | . | . | trans | -125.7 | 58.7 | 179.7 | 50.8 | 0 | 0 | 0 | 0 | 112.3 | V173 I176 H199 V206 L207 | V173-T204 HydrophobicContact CB-CG2 4.27Å; V173-T204 HydrophobicContact CG1-CG2 4.28Å; V173-T204 HydrophobicContact CG2-CG2 4Å; I176-T204 HydrophobicContact CB-CG2 4.14Å; I176-T204 HydrophobicContact CD1-CG2 4.12Å; I176-T204 HydrophobicContact CG2-CG2 3.9Å; H199-T204 VanDerWaalsContact CA-OG1 3.27Å; H199-T204 WeakPolarHBondContact CA-OG1 3.4Å; H199-T204 WeakPolarHBondContact CB-OG1 3.41Å; H199-T204 PolarHBondContact CE1-O 3.08Å; H199-T204 PolarHBondContact N-OG1 3.34Å; H199-T204 PolarHBondContact ND1-O 3.3Å; T204-V206 PolarHBondContact O-N 3.2Å; T204-L207 WeakPolarHBondContact O-CB 3.19Å; T204-L207 PolarHBondContact O-N 2.96Å; T204-L207 VanDerWaalsContact O-N 3.07Å | ||
| 205 | P | 96.8 | Very high | 97.1 | Very high | 89 Ų | 89 | 47.8 Ų | 47.8 | 58% | 0.578 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -17.6 | -172.8 | 28.3 | -37 | 0 | 0 | 0 | 114 | Q203 L207 | Q203-P205 VanDerWaalsContact C-CD 3.42Å; Q203-P205 WeakPolarHBondContact O-CD 3.4Å; P205-L207 VanDerWaalsContact C-N 3.35Å |
| 206 | V | 97.2 | Very high | 97.1 | Very high | 49 Ų | 49 | 49.8 Ų | 49.8 | 30% | 0.297 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -21.5 | 177.6 | -62.5 | 0 | 0 | 0 | 0 | 113.3 | I176 S182 T204 K208 | I176-V206 HydrophobicContact CG2-CG2 3.64Å; S182-V206 VanDerWaalsContact CA-O 3.24Å; S182-V206 WeakPolarHBondContact CA-O 3.2Å; S182-V206 WeakPolarHBondContact CB-O 3.45Å; T204-V206 PolarHBondContact O-N 3.2Å; V206-K208 PolarHBondContact O-N 3.4Å |
| 207 | L | 98.3 | Very high | 97.1 | Very high | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.016 | 28% | 0.281 | C | S | . | . | trans | -70.6 | 124.8 | -178.1 | -177.5 | 65 | 0 | 0 | 0 | 110.2 | V184 L195 H199 T204 P205 V210 V229 | V184-L207 HydrophobicContact CB-CD1 4.33Å; V184-L207 HydrophobicContact CG2-CD1 3.69Å; L195-L207 HydrophobicContact CB-CD2 4.07Å; H199-L207 PolarHBondContact CE1-O 3.15Å; T204-L207 WeakPolarHBondContact O-CB 3.19Å; T204-L207 PolarHBondContact O-N 2.96Å; T204-L207 VanDerWaalsContact O-N 3.07Å; P205-L207 VanDerWaalsContact C-N 3.35Å; L207-V210 HydrophobicContact CD1-CG2 4.22Å; L207-V210 HydrophobicContact CD2-CG2 4.07Å; L207-V210 HydrophobicContact CG-CG2 4.43Å; L207-V229 HydrophobicContact CG-CG1 4.49Å | ||
| 208 | K | 98.1 | Very high | 97.1 | Very high | 136 Ų | 136 | 52.1 Ų | 52.1 | 59% | 0.591 | 29% | 0.291 | S | S | * | . | trans | -120.8 | -29.6 | -178.2 | -64.3 | -177 | -178.7 | -179.5 | 0 | 113.3 | S182 V206 V229 D230 | S182-K208 PolarHBondContact O-N 3.14Å; V206-K208 PolarHBondContact O-N 3.4Å; K208-V229 WeakPolarHBondContact O-CA 3.49Å; K208-D230 PolarHBondContact O-N 2.87Å | ||
| 209 | T | 98.6 | Very high | 97.2 | Very high | 17 Ų | 17 | 57.3 Ų | 57.3 | 10% | 0.104 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 138.1 | -176.2 | -48.1 | 0 | 0 | 0 | 0 | 110.5 | S182 M183 V184 D230 V232 | S182-T209 PolarHBondContact O-N 3.15Å; M183-T209 WeakPolarHBondContact CA-O 3.25Å; M183-T209 VanDerWaalsContact CE-CB 3.46Å; M183-T209 HydrophobicContact CE-CG2 3.3Å; M183-T209 WeakPolarHBondContact CE-O 3.39Å; M183-T209 HydrophobicContact SD-CG2 4.01Å; V184-T209 PolarHBondContact N-O 3.48Å; T209-D230 CarbonylContact C-O 3.42Å; T209-D230 VanDerWaalsContact CA-O 3.27Å; T209-D230 WeakPolarHBondContact CA-O 3.43Å; T209-D230 HydrophobicContact CG2-CB 4.09Å; T209-D230 WeakPolarHBondContact CG2-O 3.39Å; T209-V232 HydrophobicContact CG2-CG2 4.05Å |
| 210 | V | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 120.4 | 168.1 | -178.5 | 0 | 0 | 0 | 0 | 108.3 | V184 C186 A192 L195 L207 L212 V229 D230 I231 V232 | V184-V210 CarbonylContact O-C 3.6Å; V184-V210 WeakPolarHBondContact O-CA 3.41Å; C186-V210 HydrophobicContact CB-CG1 3.73Å; A192-V210 HydrophobicContact CB-CG1 4.07Å; L195-V210 HydrophobicContact CD1-CG1 4.14Å; L195-V210 HydrophobicContact CD1-CG2 4Å; L207-V210 HydrophobicContact CD1-CG2 4.22Å; L207-V210 HydrophobicContact CD2-CG2 4.07Å; L207-V210 HydrophobicContact CG-CG2 4.43Å; V210-L212 HydrophobicContact CG1-CD1 4.44Å; V210-V229 HydrophobicContact CG2-CG1 3.99Å; V210-D230 PolarHBondContact N-O 2.77Å; V210-I231 HydrophobicContact CB-CD1 3.75Å; V210-I231 HydrophobicContact CG2-CD1 4.24Å; V210-V232 PolarHBondContact O-N 3.35Å; V210-V232 VanDerWaalsContact O-N 3.1Å |
| 211 | A | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 115.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | M183 V184 L185 C186 V232 L237 | M183-A211 HydrophobicContact CE-CB 3.71Å; V184-A211 PolarHBondContact O-N 3.39Å; L185-A211 CarbonylContact C-O 3.49Å; L185-A211 WeakPolarHBondContact CA-O 3.46Å; L185-A211 HydrophobicContact CD2-CB 3.77Å; C186-A211 PolarHBondContact N-O 2.95Å; A211-V232 CarbonylContact C-O 3.53Å; A211-V232 VanDerWaalsContact CA-O 3.27Å; A211-V232 WeakPolarHBondContact CA-O 3.33Å; A211-V232 HydrophobicContact CB-CG2 3.92Å; A211-L237 HydrophobicContact CB-CD1 3.46Å; A211-L237 VanDerWaalsContact CB-CD1 3.46Å |
| 212 | L | 98.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 136.7 | -177 | -77.9 | 116.2 | 0 | 0 | 0 | 113.1 | C186 N188 A192 V210 F216 L220 I231 V232 S233 M234 | C186-L212 CarbonylContact O-C 3.6Å; C186-L212 VanDerWaalsContact O-CA 3.26Å; C186-L212 WeakPolarHBondContact O-CA 3.23Å; N188-L212 WeakPolarHBondContact O-CD2 3.26Å; A192-L212 HydrophobicContact CB-CD1 4.13Å; A192-L212 HydrophobicContact CB-CD2 3.96Å; A192-L212 HydrophobicContact CB-CG 4.29Å; V210-L212 HydrophobicContact CG1-CD1 4.44Å; L212-F216 HydrophobicContact CB-CD1 3.49Å; L212-F216 VanDerWaalsContact CB-CD1 3.49Å; L212-F216 HydrophobicContact CB-CE1 3.74Å; L212-F216 HydrophobicContact CB-CG 4.44Å; L212-F216 HydrophobicContact CD1-CB 4.39Å; L212-F216 HydrophobicContact CD1-CD1 3.73Å; L212-F216 HydrophobicContact CD1-CD2 4.47Å; L212-F216 HydrophobicContact CD1-CE1 4.11Å; L212-F216 HydrophobicContact CD1-CG 3.95Å; L212-F216 HydrophobicContact CD2-CB 4.28Å; L212-F216 HydrophobicContact CD2-CD1 4.26Å; L212-F216 HydrophobicContact CG-CD1 4.01Å; L212-L220 HydrophobicContact CD1-CD2 3.76Å; L212-L220 HydrophobicContact CD2-CD2 4.39Å; L212-I231 HydrophobicContact CD1-CG2 3.54Å; L212-V232 PolarHBondContact N-O 2.96Å; L212-S233 CarbonylContact O-C 3.56Å; L212-S233 WeakPolarHBondContact O-CA 3.26Å; L212-M234 WeakPolarHBondContact O-CB 3.45Å; L212-M234 PolarHBondContact O-N 2.82Å |
| 213 | M | 97.9 | Very high | 97.4 | Very high | 24 Ų | 24 | 53.9 Ų | 53.9 | 12% | 0.118 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -84.2 | -22 | 177.1 | -54.7 | 173.4 | -179.7 | 0 | 0 | 112.6 | I138 A140 R143 E145 L185 C186 D187 M234 | I138-M213 HydrophobicContact CG2-CE 3.83Å; A140-M213 HydrophobicContact CB-CE 3.94Å; A140-M213 HydrophobicContact CB-SD 3.89Å; R143-M213 VanDerWaalsContact CD-SD 3.54Å; R143-M213 HydrophobicContact CG-SD 4.14Å; E145-M213 HydrophobicContact CB-CB 4.23Å; E145-M213 HydrophobicContact CB-CE 4.25Å; E145-M213 HydrophobicContact CB-CG 3.89Å; E145-M213 HydrophobicContact CB-SD 3.55Å; E145-M213 VanDerWaalsContact CB-SD 3.55Å; E145-M213 HydrophobicContact CG-CB 4.26Å; E145-M213 HydrophobicContact CG-CG 4.4Å; L185-M213 HydrophobicContact CB-CE 3.92Å; C186-M213 WeakPolarHBondContact O-CG 3.42Å; C186-M213 PolarHBondContact O-N 2.97Å; D187-M213 HydrophobicContact CB-SD 4.32Å; M213-M234 HydrophobicContact CG-SD 3.78Å |
| 214 | E | 96.4 | Very high | 97.5 | Very high | 88 Ų | 88 | 50 Ų | 50 | 41% | 0.411 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -108.4 | 167.4 | 175.1 | -71.1 | 170.3 | -163.8 | 0 | 0 | 111.9 | R143 D187 N188 F216 | R143-E214 IonicContact CZ-OE1 3.3Å; R143-E214 IonicContact NH1-OE1 3.44Å; R143-E214 PolarHBondContact NH1-OE1 3.04Å; D187-E214 VanDerWaalsContact O-CB 3.24Å; D187-E214 WeakPolarHBondContact O-CB 3.35Å; D187-E214 VanDerWaalsContact O-CG 3.27Å; D187-E214 WeakPolarHBondContact O-CG 3.01Å; D187-E214 PolarHBondContact O-N 3.19Å; N188-E214 WeakPolarHBondContact CB-OE2 3.34Å; E214-F216 WeakPolarHBondContact O-CD1 3.43Å |
| 215 | S | 96 | Very high | 97.5 | Very high | 117 Ų | 117 | 56.9 Ų | 56.9 | 82% | 0.818 | 30% | 0.296 | S | S | * | . | trans | -61 | 141.9 | 169.7 | 55.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 216 | F | 97.3 | Very high | 97.5 | Very high | 45 Ų | 45 | 60.1 Ų | 60.1 | 20% | 0.197 | 30% | 0.301 | C | S | . | . | trans | -137.2 | 163.4 | 178.3 | 51.1 | -87.8 | 0 | 0 | 0 | 110.6 | Q189 L212 E214 L220 I221 I231 | Q189-F216 HydrophobicContact CB-CB 4.3Å; L212-F216 HydrophobicContact CB-CD1 3.49Å; L212-F216 VanDerWaalsContact CB-CD1 3.49Å; L212-F216 HydrophobicContact CB-CE1 3.74Å; L212-F216 HydrophobicContact CB-CG 4.44Å; L212-F216 HydrophobicContact CD1-CB 4.39Å; L212-F216 HydrophobicContact CD1-CD1 3.73Å; L212-F216 HydrophobicContact CD1-CD2 4.47Å; L212-F216 HydrophobicContact CD1-CE1 4.11Å; L212-F216 HydrophobicContact CD1-CG 3.95Å; L212-F216 HydrophobicContact CD2-CB 4.28Å; L212-F216 HydrophobicContact CD2-CD1 4.26Å; L212-F216 HydrophobicContact CG-CD1 4.01Å; E214-F216 WeakPolarHBondContact O-CD1 3.43Å; F216-L220 HydrophobicContact CB-CD2 3.77Å; F216-L220 HydrophobicContact CD2-CD2 4.29Å; F216-L220 HydrophobicContact CG-CD2 4.2Å; F216-I221 HydrophobicContact CD2-CD1 4.37Å; F216-I221 HydrophobicContact CD2-CG1 4.06Å; F216-I221 HydrophobicContact CE2-CD1 3.72Å; F216-I221 HydrophobicContact CE2-CG1 3.57Å; F216-I231 HydrophobicContact CD2-CG2 4.05Å; F216-I231 HydrophobicContact CE2-CG2 3.84Å; F216-I231 HydrophobicContact CZ-CG2 4.33Å | ||
| 217 | S | 97 | Very high | 97.4 | Very high | 30 Ų | 30 | 59.1 Ų | 59.1 | 21% | 0.21 | 30% | 0.296 | C | S | . | . | trans | -82.3 | 150.4 | -173.9 | 88.5 | 0 | 0 | 0 | 0 | 112.4 | Q189 E219 L220 | Q189-S217 PolarHBondContact NE2-OG 2.7Å; S217-E219 WeakPolarHBondContact CB-OE2 3.33Å; S217-E219 PolarHBondContact O-N 3.12Å; S217-E219 PolarHBondContact OG-OE2 2.98Å; S217-L220 WeakPolarHBondContact O-CB 3.42Å; S217-L220 PolarHBondContact O-N 3.15Å; S217-L220 VanDerWaalsContact O-N 3.08Å | ||
| 218 | P | 96.6 | Very high | 97.4 | Very high | 94 Ų | 94 | 61.9 Ų | 61.9 | 61% | 0.61 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -57.1 | -30.3 | 175.2 | -25.6 | 35.6 | 0 | 0 | 0 | 113.7 | L220 I221 E222 | P218-L220 VanDerWaalsContact C-N 3.26Å; P218-L220 PolarHBondContact O-N 3.03Å; P218-I221 WeakPolarHBondContact O-CB 3.25Å; P218-I221 PolarHBondContact O-N 2.9Å; P218-I221 VanDerWaalsContact O-N 3.16Å; P218-E222 PolarHBondContact O-N 3.01Å; P218-E222 VanDerWaalsContact O-N 3.11Å |
| 219 | E | 97.1 | Very high | 97.4 | Very high | 122 Ų | 122 | 55.5 Ų | 55.5 | 57% | 0.57 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -63.5 | -33.4 | 177.8 | -57.1 | 73.9 | -159.2 | 0 | 0 | 111.6 | S217 I221 E222 R223 | S217-E219 WeakPolarHBondContact CB-OE2 3.33Å; S217-E219 PolarHBondContact O-N 3.12Å; S217-E219 PolarHBondContact OG-OE2 2.98Å; E219-I221 VanDerWaalsContact C-N 3.34Å; E219-E222 PolarHBondContact O-N 3.33Å; E219-R223 WeakPolarHBondContact O-CB 3.13Å; E219-R223 PolarHBondContact O-N 2.89Å |
| 220 | L | 97.3 | Very high | 97.3 | Very high | 3 Ų | 3 | 57.2 Ų | 57.2 | 2% | 0.016 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.4 | -40.6 | 175.4 | -171.5 | 70 | 0 | 0 | 0 | 111.2 | Q189 A192 E193 L196 L212 F216 S217 P218 R223 G224 I231 | Q189-L220 HydrophobicContact CB-CD2 4.31Å; Q189-L220 HydrophobicContact CG-CD1 4.38Å; Q189-L220 HydrophobicContact CG-CD2 3.95Å; A192-L220 HydrophobicContact CB-CD2 4.07Å; E193-L220 HydrophobicContact CG-CD1 3.73Å; L196-L220 HydrophobicContact CD1-CD1 3.67Å; L196-L220 HydrophobicContact CD1-CG 4.41Å; L212-L220 HydrophobicContact CD1-CD2 3.76Å; L212-L220 HydrophobicContact CD2-CD2 4.39Å; F216-L220 HydrophobicContact CB-CD2 3.77Å; F216-L220 HydrophobicContact CD2-CD2 4.29Å; F216-L220 HydrophobicContact CG-CD2 4.2Å; S217-L220 WeakPolarHBondContact O-CB 3.42Å; S217-L220 PolarHBondContact O-N 3.15Å; S217-L220 VanDerWaalsContact O-N 3.08Å; P218-L220 VanDerWaalsContact C-N 3.26Å; P218-L220 PolarHBondContact O-N 3.03Å; L220-R223 PolarHBondContact O-N 2.9Å; L220-G224 PolarHBondContact O-N 3.24Å; L220-I231 HydrophobicContact CD2-CG2 4.03Å; L220-I231 HydrophobicContact CG-CG2 4.19Å |
| 221 | I | 97.6 | Very high | 97.3 | Very high | 52 Ų | 52 | 57.6 Ų | 57.6 | 27% | 0.267 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.9 | -46.4 | 175.3 | -61.5 | 162.8 | 0 | 0 | 0 | 110.1 | F216 P218 E219 R223 G224 K225 I231 | F216-I221 HydrophobicContact CD2-CD1 4.37Å; F216-I221 HydrophobicContact CD2-CG1 4.06Å; F216-I221 HydrophobicContact CE2-CD1 3.72Å; F216-I221 HydrophobicContact CE2-CG1 3.57Å; P218-I221 WeakPolarHBondContact O-CB 3.25Å; P218-I221 PolarHBondContact O-N 2.9Å; P218-I221 VanDerWaalsContact O-N 3.16Å; E219-I221 VanDerWaalsContact C-N 3.34Å; I221-R223 VanDerWaalsContact C-N 3.34Å; I221-R223 PolarHBondContact O-N 3.33Å; I221-G224 PolarHBondContact O-N 3.01Å; I221-K225 HydrophobicContact CG2-CD 4.2Å; I221-K225 WeakPolarHBondContact O-CG 3.14Å; I221-K225 PolarHBondContact O-N 2.69Å; I221-I231 HydrophobicContact CG1-CB 4.38Å; I221-I231 HydrophobicContact CG1-CG2 4.28Å |
| 222 | E | 97.4 | Very high | 97.3 | Very high | 107 Ų | 107 | 58.4 Ų | 58.4 | 50% | 0.5 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.6 | -40.4 | -179.1 | -155 | -169.5 | 137.7 | 0 | 0 | 111.7 | P218 E219 K225 K226 | P218-E222 PolarHBondContact O-N 3.01Å; P218-E222 VanDerWaalsContact O-N 3.11Å; E219-E222 PolarHBondContact O-N 3.33Å; E222-K225 PolarHBondContact O-N 2.69Å; E222-K226 WeakPolarHBondContact O-CG 3.13Å; E222-K226 PolarHBondContact O-N 2.91Å; E222-K226 WeakPolarHBondContact OE1-CE 2.82Å; E222-K226 IonicContact OE1-NZ 3.51Å; E222-K226 PolarHBondContact OE1-NZ 3.33Å |
| 223 | R | 97.6 | Very high | 97.3 | Very high | 70 Ų | 70 | 59.3 Ų | 59.3 | 26% | 0.264 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.7 | -46.7 | 174.1 | -174.6 | 179.4 | 177.2 | -165.4 | -3.3 | 111.9 | L196 E200 E219 L220 I221 K225 K226 C227 | L196-R223 HydrophobicContact CD1-CB 4.44Å; L196-R223 HydrophobicContact CD1-CG 4.16Å; E200-R223 VanDerWaalsContact OE1-CG 3.31Å; E200-R223 WeakPolarHBondContact OE1-CG 3.29Å; E200-R223 IonicContact OE1-CZ 3.89Å; E200-R223 IonicContact OE1-NE 3.58Å; E200-R223 PolarHBondContact OE1-NE 2.79Å; E200-R223 IonicContact OE1-NH2 2.77Å; E200-R223 PolarHBondContact OE1-NH2 3.28Å; E200-R223 IonicContact OE2-CZ 2.85Å; E200-R223 IonicContact OE2-NE 2.66Å; E200-R223 IonicContact OE2-NH2 3.81Å; E200-R223 PolarHBondContact OE2-NH2 3.34Å; E219-R223 WeakPolarHBondContact O-CB 3.13Å; E219-R223 PolarHBondContact O-N 2.89Å; L220-R223 PolarHBondContact O-N 2.9Å; I221-R223 VanDerWaalsContact C-N 3.34Å; I221-R223 PolarHBondContact O-N 3.33Å; R223-K225 PolarHBondContact O-N 3Å; R223-K226 PolarHBondContact O-N 3.35Å; R223-C227 PolarHBondContact O-N 2.87Å; R223-C227 PolarHBondContact O-SG 3.44Å |
| 224 | G | 97.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.2 | -49.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | L220 I221 K226 C227 G228 V229 | L220-G224 PolarHBondContact O-N 3.24Å; I221-G224 PolarHBondContact O-N 3.01Å; G224-K226 VanDerWaalsContact C-N 3.32Å; G224-K226 PolarHBondContact O-N 2.93Å; G224-C227 CarbonylContact O-C 3.5Å; G224-C227 PolarHBondContact O-N 3.11Å; G224-C227 VanDerWaalsContact O-N 3.1Å; G224-C227 PolarHBondContact O-SG 2.84Å; G224-G228 PolarHBondContact O-N 3.37Å; G224-V229 CarbonylContact C-O 3.12Å; G224-V229 WeakPolarHBondContact CA-O 3.49Å; G224-V229 PolarHBondContact O-N 2.89Å; G224-V229 VanDerWaalsContact O-O 3.08Å |
| 225 | K | 96.9 | Very high | 97.4 | Very high | 147 Ų | 147 | 61.4 Ų | 61.4 | 64% | 0.639 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -57.8 | -41.4 | 177.4 | -74.1 | 177 | -179.3 | 176.7 | 0 | 112.9 | I221 E222 R223 C227 G228 | I221-K225 HydrophobicContact CG2-CD 4.2Å; I221-K225 WeakPolarHBondContact O-CG 3.14Å; I221-K225 PolarHBondContact O-N 2.69Å; E222-K225 PolarHBondContact O-N 2.69Å; R223-K225 PolarHBondContact O-N 3Å; K225-C227 PolarHBondContact O-N 3.12Å; K225-G228 PolarHBondContact O-N 2.93Å |
| 226 | K | 97.3 | Very high | 97.5 | Very high | 157 Ų | 157 | 60.6 Ų | 60.6 | 68% | 0.683 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -61.3 | -31.5 | 178.4 | -76.7 | 171 | -175.3 | 165.2 | 0 | 113 | E222 R223 G224 | E222-K226 WeakPolarHBondContact O-CG 3.13Å; E222-K226 PolarHBondContact O-N 2.91Å; E222-K226 WeakPolarHBondContact OE1-CE 2.82Å; E222-K226 IonicContact OE1-NZ 3.51Å; E222-K226 PolarHBondContact OE1-NZ 3.33Å; R223-K226 PolarHBondContact O-N 3.35Å; G224-K226 VanDerWaalsContact C-N 3.32Å; G224-K226 PolarHBondContact O-N 2.93Å |
| 227 | C | 96 | Very high | 97.5 | Very high | 29 Ų | 29 | 58.5 Ų | 58.5 | 20% | 0.196 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -103.6 | 8 | 177.7 | 64.3 | 0 | 0 | 0 | 0 | 113.9 | H199 E200 R223 G224 K225 | H199-C227 PolarHBondContact CD2-O 2.96Å; H199-C227 PolarHBondContact NE2-O 2.86Å; H199-C227 VanDerWaalsContact NE2-O 3.08Å; E200-C227 HydrophobicContact CG-CB 3.91Å; R223-C227 PolarHBondContact O-N 2.87Å; R223-C227 PolarHBondContact O-SG 3.44Å; G224-C227 CarbonylContact O-C 3.5Å; G224-C227 PolarHBondContact O-N 3.11Å; G224-C227 VanDerWaalsContact O-N 3.1Å; G224-C227 PolarHBondContact O-SG 2.84Å; K225-C227 PolarHBondContact O-N 3.12Å |
| 228 | G | 96.5 | Very high | 97.6 | Very high | 61 Ų | 61 | 58 Ų | 58 | 63% | 0.629 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | 15.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | G224 K225 | G224-G228 PolarHBondContact O-N 3.37Å; K225-G228 PolarHBondContact O-N 2.93Å |
| 229 | V | 98.2 | Very high | 97.7 | Very high | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.012 | 29% | 0.289 | C | S | . | . | trans | -104.8 | 123.7 | 175.7 | -179.7 | 0 | 0 | 0 | 0 | 110.1 | L196 H199 L207 K208 V210 G224 I231 | L196-V229 HydrophobicContact CD2-CB 3.76Å; L196-V229 HydrophobicContact CD2-CG1 3.89Å; L196-V229 HydrophobicContact CD2-CG2 4.08Å; H199-V229 HydrophobicContact CB-CG2 4.49Å; H199-V229 VanDerWaalsContact CD2-CG2 3.45Å; H199-V229 WeakPolarHBondContact CD2-CG2 3.4Å; L207-V229 HydrophobicContact CG-CG1 4.49Å; K208-V229 WeakPolarHBondContact O-CA 3.49Å; V210-V229 HydrophobicContact CG2-CG1 3.99Å; G224-V229 CarbonylContact C-O 3.12Å; G224-V229 WeakPolarHBondContact CA-O 3.49Å; G224-V229 PolarHBondContact O-N 2.89Å; G224-V229 VanDerWaalsContact O-O 3.08Å; V229-I231 HydrophobicContact CG1-CD1 4.05Å; V229-I231 PolarHBondContact O-N 2.83Å | ||
| 230 | D | 98.1 | Very high | 97.8 | Very high | 53 Ų | 53 | 52.1 Ų | 52.1 | 28% | 0.283 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 121.9 | 176.3 | -172.9 | 29.2 | 0 | 0 | 0 | 110.7 | K126 K208 T209 V210 | K126-D230 IonicContact NZ-OD2 3.81Å; K126-D230 PolarHBondContact NZ-OD2 3.29Å; K208-D230 PolarHBondContact O-N 2.87Å; T209-D230 CarbonylContact C-O 3.42Å; T209-D230 VanDerWaalsContact CA-O 3.27Å; T209-D230 WeakPolarHBondContact CA-O 3.43Å; T209-D230 HydrophobicContact CG2-CB 4.09Å; T209-D230 WeakPolarHBondContact CG2-O 3.39Å; V210-D230 PolarHBondContact N-O 2.77Å |
| 231 | I | 98.4 | Very high | 97.8 | Very high | 7 Ų | 7 | 52 Ų | 52 | 4% | 0.036 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 117.1 | 178.3 | -56.8 | -59.1 | 0 | 0 | 0 | 108.2 | L196 V210 L212 F216 L220 I221 V229 | L196-I231 HydrophobicContact CD1-CD1 4.24Å; L196-I231 HydrophobicContact CD2-CD1 4.17Å; L196-I231 HydrophobicContact CG-CD1 4.46Å; V210-I231 HydrophobicContact CB-CD1 3.75Å; V210-I231 HydrophobicContact CG2-CD1 4.24Å; L212-I231 HydrophobicContact CD1-CG2 3.54Å; F216-I231 HydrophobicContact CD2-CG2 4.05Å; F216-I231 HydrophobicContact CE2-CG2 3.84Å; F216-I231 HydrophobicContact CZ-CG2 4.33Å; L220-I231 HydrophobicContact CD2-CG2 4.03Å; L220-I231 HydrophobicContact CG-CG2 4.19Å; I221-I231 HydrophobicContact CG1-CB 4.38Å; I221-I231 HydrophobicContact CG1-CG2 4.28Å; V229-I231 HydrophobicContact CG1-CD1 4.05Å; V229-I231 PolarHBondContact O-N 2.83Å |
| 232 | V | 98 | Very high | 97.8 | Very high | 18 Ų | 18 | 55.1 Ų | 55.1 | 11% | 0.109 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 159.9 | -176.8 | -62.5 | 0 | 0 | 0 | 0 | 110.4 | T209 V210 A211 L212 L237 | T209-V232 HydrophobicContact CG2-CG2 4.05Å; V210-V232 PolarHBondContact O-N 3.35Å; V210-V232 VanDerWaalsContact O-N 3.1Å; A211-V232 CarbonylContact C-O 3.53Å; A211-V232 VanDerWaalsContact CA-O 3.27Å; A211-V232 WeakPolarHBondContact CA-O 3.33Å; A211-V232 HydrophobicContact CB-CG2 3.92Å; L212-V232 PolarHBondContact N-O 2.96Å; V232-L237 HydrophobicContact CG2-CD1 3.83Å; V232-L237 HydrophobicContact CG2-CD2 4.05Å; V232-L237 HydrophobicContact CG2-CG 3.74Å |
| 233 | S | 98.4 | Very high | 97.9 | Very high | 19 Ų | 19 | 56.2 Ų | 56.2 | 13% | 0.133 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 150.1 | 166.6 | 77.8 | 0 | 0 | 0 | 0 | 110.4 | L212 E235 D236 L237 | L212-S233 CarbonylContact O-C 3.56Å; L212-S233 WeakPolarHBondContact O-CA 3.26Å; S233-E235 PolarHBondContact O-N 3.45Å; S233-D236 PolarHBondContact O-N 3.33Å; S233-D236 WeakPolarHBondContact OG-CB 3.31Å; S233-D236 PolarHBondContact OG-N 2.83Å; S233-D236 PolarHBondContact OG-OD2 3.35Å; S233-L237 PolarHBondContact O-N 3.4Å; S233-L237 VanDerWaalsContact O-N 3.16Å |
| 234 | M | 98.4 | Very high | 97.8 | Very high | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.015 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.6 | -33.2 | 171.4 | -174.7 | -178.6 | 176.4 | 0 | 0 | 110.9 | L119 E145 I148 L212 M213 L237 E238 | L119-M234 HydrophobicContact CD1-CE 4.48Å; L119-M234 HydrophobicContact CD1-CG 3.96Å; L119-M234 HydrophobicContact CD2-CE 3.4Å; L119-M234 HydrophobicContact CG-CE 4.49Å; E145-M234 HydrophobicContact CB-CE 4.02Å; E145-M234 HydrophobicContact CB-SD 3.75Å; E145-M234 HydrophobicContact CG-CE 4.46Å; E145-M234 HydrophobicContact CG-SD 3.99Å; E145-M234 WeakPolarHBondContact O-CE 3.3Å; I148-M234 HydrophobicContact CB-CE 4.1Å; I148-M234 HydrophobicContact CG2-CE 3.82Å; L212-M234 WeakPolarHBondContact O-CB 3.45Å; L212-M234 PolarHBondContact O-N 2.82Å; M213-M234 HydrophobicContact CG-SD 3.78Å; M234-L237 PolarHBondContact O-N 2.83Å; M234-E238 WeakPolarHBondContact O-CG 3.49Å; M234-E238 PolarHBondContact O-N 2.86Å |
| 235 | E | 98.2 | Very high | 97.8 | Very high | 154 Ų | 154 | 60.1 Ų | 60.1 | 72% | 0.72 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -63.7 | -42.8 | 175.1 | -174.8 | 172 | -168.9 | 0 | 0 | 111.9 | S233 L237 E238 A239 | S233-E235 PolarHBondContact O-N 3.45Å; E235-L237 VanDerWaalsContact C-N 3.32Å; E235-L237 PolarHBondContact O-N 2.67Å; E235-E238 PolarHBondContact O-N 3.32Å; E235-A239 WeakPolarHBondContact O-CB 3.46Å; E235-A239 PolarHBondContact O-N 3.31Å |
| 236 | D | 98.1 | Very high | 97.8 | Very high | 99 Ų | 99 | 57.4 Ų | 57.4 | 53% | 0.529 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.1 | -36.8 | 175.4 | -66.6 | -41.7 | 0 | 0 | 0 | 111.7 | S233 A239 L240 | S233-D236 PolarHBondContact O-N 3.33Å; S233-D236 WeakPolarHBondContact OG-CB 3.31Å; S233-D236 PolarHBondContact OG-N 2.83Å; S233-D236 PolarHBondContact OG-OD2 3.35Å; D236-A239 PolarHBondContact O-N 3.46Å; D236-L240 VanDerWaalsContact O-CB 3.25Å; D236-L240 WeakPolarHBondContact O-CB 3.49Å; D236-L240 PolarHBondContact O-N 2.92Å |
| 237 | L | 98 | Very high | 97.8 | Very high | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.3 | -41.1 | 173.5 | -73.6 | -176.1 | 0 | 0 | 0 | 112.2 | L119 L123 K126 M183 A211 V232 S233 M234 E235 L240 G241 | L119-L237 HydrophobicContact CD1-CB 4Å; L119-L237 HydrophobicContact CD1-CD1 4.45Å; L123-L237 HydrophobicContact CD2-CD1 4.42Å; K126-L237 HydrophobicContact CD-CD2 4.38Å; K126-L237 HydrophobicContact CG-CD2 3.83Å; M183-L237 HydrophobicContact CE-CD1 4.43Å; A211-L237 HydrophobicContact CB-CD1 3.46Å; A211-L237 VanDerWaalsContact CB-CD1 3.46Å; V232-L237 HydrophobicContact CG2-CD1 3.83Å; V232-L237 HydrophobicContact CG2-CD2 4.05Å; V232-L237 HydrophobicContact CG2-CG 3.74Å; S233-L237 PolarHBondContact O-N 3.4Å; S233-L237 VanDerWaalsContact O-N 3.16Å; M234-L237 PolarHBondContact O-N 2.83Å; E235-L237 VanDerWaalsContact C-N 3.32Å; E235-L237 PolarHBondContact O-N 2.67Å; L237-L240 HydrophobicContact CD2-CD2 4.32Å; L237-L240 PolarHBondContact O-N 2.77Å; L237-G241 PolarHBondContact O-N 3.32Å |
| 238 | E | 98.6 | Very high | 97.9 | Very high | 20 Ų | 20 | 58.9 Ų | 58.9 | 9% | 0.093 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 172.3 | -75.1 | -179.1 | -140.5 | 0 | 0 | 110.8 | R115 Y118 L119 M234 E235 G241 K242 | R115-E238 WeakPolarHBondContact CG-OE2 3.48Å; R115-E238 IonicContact CZ-OE1 3.9Å; R115-E238 IonicContact CZ-OE2 3.37Å; R115-E238 IonicContact NE-OE1 2.62Å; R115-E238 PolarHBondContact NE-OE1 2.9Å; R115-E238 IonicContact NE-OE2 2.67Å; R115-E238 PolarHBondContact NE-OE2 2.73Å; R115-E238 IonicContact NH2-OE1 3.62Å; R115-E238 PolarHBondContact NH2-OE1 3.26Å; R115-E238 IonicContact NH2-OE2 2.82Å; Y118-E238 WeakPolarHBondContact CB-O 3.33Å; L119-E238 HydrophobicContact CB-CG 3.87Å; L119-E238 HydrophobicContact CD1-CG 4.32Å; M234-E238 WeakPolarHBondContact O-CG 3.49Å; M234-E238 PolarHBondContact O-N 2.86Å; E235-E238 PolarHBondContact O-N 3.32Å; E238-G241 PolarHBondContact O-N 3.18Å; E238-K242 WeakPolarHBondContact O-CB 3.32Å; E238-K242 PolarHBondContact O-N 2.6Å |
| 239 | A | 98.6 | Very high | 98 | Very high | 45 Ų | 45 | 59 Ų | 59 | 37% | 0.372 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E235 D236 G241 K242 N243 | E235-A239 WeakPolarHBondContact O-CB 3.46Å; E235-A239 PolarHBondContact O-N 3.31Å; D236-A239 PolarHBondContact O-N 3.46Å; A239-G241 VanDerWaalsContact C-N 3.35Å; A239-G241 PolarHBondContact O-N 2.81Å; A239-K242 PolarHBondContact O-N 2.79Å; A239-N243 PolarHBondContact O-N 2.83Å; A239-N243 PolarHBondContact O-ND2 3.16Å |
| 240 | L | 98.3 | Very high | 97.9 | Very high | 47 Ų | 47 | 63.1 Ų | 63.1 | 25% | 0.246 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57.3 | -48.2 | 174.8 | 177 | 65.3 | 0 | 0 | 0 | 111 | H125 D236 L237 N243 N244 | H125-L240 HydrophobicContact CB-CD2 4.27Å; H125-L240 HydrophobicContact CB-CG 4.41Å; D236-L240 VanDerWaalsContact O-CB 3.25Å; D236-L240 WeakPolarHBondContact O-CB 3.49Å; D236-L240 PolarHBondContact O-N 2.92Å; L237-L240 HydrophobicContact CD2-CD2 4.32Å; L237-L240 PolarHBondContact O-N 2.77Å; L240-N243 PolarHBondContact O-N 2.78Å; L240-N244 WeakPolarHBondContact O-CB 3.28Å; L240-N244 PolarHBondContact O-N 2.65Å; L240-N244 PolarHBondContact O-ND2 3.48Å |
| 241 | G | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -70.4 | -33.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y118 S121 G122 L237 E238 A239 N243 N244 L245 | Y118-G241 VanDerWaalsContact O-CA 3.32Å; Y118-G241 WeakPolarHBondContact O-CA 3.23Å; S121-G241 WeakPolarHBondContact CB-O 3.3Å; G122-G241 VanDerWaalsContact N-CA 3.33Å; L237-G241 PolarHBondContact O-N 3.32Å; E238-G241 PolarHBondContact O-N 3.18Å; A239-G241 VanDerWaalsContact C-N 3.35Å; A239-G241 PolarHBondContact O-N 2.81Å; G241-N243 VanDerWaalsContact C-N 3.3Å; G241-N243 PolarHBondContact O-N 3.25Å; G241-N244 CarbonylContact O-C 3.37Å; G241-N244 PolarHBondContact O-N 2.79Å; G241-N244 VanDerWaalsContact O-N 3.16Å; G241-L245 VanDerWaalsContact O-CA 3.29Å; G241-L245 WeakPolarHBondContact O-CA 3.43Å; G241-L245 PolarHBondContact O-N 2.75Å |
| 242 | K | 98.1 | Very high | 97.9 | Very high | 118 Ų | 118 | 66.5 Ų | 66.5 | 51% | 0.513 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.7 | -37.2 | 171.9 | -176.6 | 179.3 | 177.1 | -174.3 | 0 | 112 | Y118 E238 A239 N244 | Y118-K242 HydrophobicContact CD1-CB 3.88Å; Y118-K242 HydrophobicContact CD1-CG 4.1Å; Y118-K242 HydrophobicContact CD2-CB 4.42Å; Y118-K242 HydrophobicContact CD2-CD 4.49Å; Y118-K242 HydrophobicContact CE1-CB 4.3Å; Y118-K242 HydrophobicContact CE1-CG 4Å; Y118-K242 HydrophobicContact CE2-CD 4.26Å; Y118-K242 HydrophobicContact CG-CB 3.97Å; Y118-K242 HydrophobicContact CG-CG 4.43Å; E238-K242 WeakPolarHBondContact O-CB 3.32Å; E238-K242 PolarHBondContact O-N 2.6Å; A239-K242 PolarHBondContact O-N 2.79Å; K242-N244 VanDerWaalsContact C-N 3.32Å |
| 243 | N | 98 | Very high | 97.9 | Very high | 130 Ų | 130 | 66.9 Ų | 66.9 | 70% | 0.695 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -78.3 | -17.2 | 175.7 | -68 | -23.9 | 0 | 0 | 0 | 113.1 | A239 L240 G241 | A239-N243 PolarHBondContact O-N 2.83Å; A239-N243 PolarHBondContact O-ND2 3.16Å; L240-N243 PolarHBondContact O-N 2.78Å; G241-N243 VanDerWaalsContact C-N 3.3Å; G241-N243 PolarHBondContact O-N 3.25Å |
| 244 | N | 97.1 | Very high | 97.9 | Very high | 61 Ų | 61 | 70.6 Ų | 70.6 | 33% | 0.326 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132 | 50.3 | -176.8 | -62.2 | -86.9 | 0 | 0 | 0 | 111.2 | L240 G241 K242 Q246 | L240-N244 WeakPolarHBondContact O-CB 3.28Å; L240-N244 PolarHBondContact O-N 2.65Å; L240-N244 PolarHBondContact O-ND2 3.48Å; G241-N244 CarbonylContact O-C 3.37Å; G241-N244 PolarHBondContact O-N 2.79Å; G241-N244 VanDerWaalsContact O-N 3.16Å; K242-N244 VanDerWaalsContact C-N 3.32Å; N244-Q246 PolarHBondContact O-N 2.87Å |
| 245 | L | 97.4 | Very high | 97.9 | Very high | 91 Ų | 91 | 72.5 Ų | 72.5 | 48% | 0.476 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -55.8 | 129.5 | -173.5 | -81.6 | 174.5 | 0 | 0 | 0 | 112 | Q117 Y118 G241 | Q117-L245 HydrophobicContact CG-CD2 4.39Å; Y118-L245 HydrophobicContact CD1-CD2 3.74Å; Y118-L245 HydrophobicContact CE1-CD2 4.04Å; G241-L245 VanDerWaalsContact O-CA 3.29Å; G241-L245 WeakPolarHBondContact O-CA 3.43Å; G241-L245 PolarHBondContact O-N 2.75Å |
| 246 | Q | 97 | Very high | 97.9 | Very high | 90 Ų | 90 | 66.1 Ų | 66.1 | 42% | 0.421 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -103.2 | 152.4 | 172.7 | -63.4 | -60.3 | -35.1 | 0 | 0 | 110.2 | S121 L124 Y156 N244 | S121-Q246 PolarHBondContact OG-N 2.74Å; S121-Q246 VanDerWaalsContact OG-N 3.08Å; L124-Q246 HydrophobicContact CB-CG 4.3Å; L124-Q246 HydrophobicContact CD1-CB 3.88Å; L124-Q246 HydrophobicContact CD1-CG 4.02Å; Y156-Q246 HydrophobicContact CE1-CB 4Å; Y156-Q246 PolarHBondContact OH-O 3.35Å; Y156-Q246 VanDerWaalsContact OH-O 3.09Å; N244-Q246 PolarHBondContact O-N 2.87Å |
| 247 | K | 97 | Very high | 97.9 | Very high | 179 Ų | 179 | 61.4 Ų | 61.4 | 78% | 0.778 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | trans | -71.3 | 130.9 | 173.4 | -173 | 177.8 | 177.4 | -178.6 | 0 | 108.9 | Y156 | Y156-K247 WeakPolarHBondContact CE1-O 3.43Š|
| 248 | P | 97.3 | Very high | 98 | Very high | 38 Ų | 38 | 61.3 Ų | 61.3 | 25% | 0.247 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -52.9 | 141.3 | 174.2 | -29.5 | 37.2 | 0 | 0 | 0 | 112.6 | T155 L250 | T155-P248 HydrophobicContact CG2-CB 3.81Å; T155-P248 HydrophobicContact CG2-CG 3.96Å; P248-L250 HydrophobicContact CB-CD2 3.82Å |
| 249 | V | 97.8 | Very high | 98 | Very high | 63 Ų | 63 | 60.4 Ų | 60.4 | 38% | 0.382 | 31% | 0.308 | S | S | . | . | trans | -116.3 | 94.6 | 173.3 | -178.4 | 0 | 0 | 0 | 0 | 105.8 | P130 T155 Y156 S157 | P130-V249 HydrophobicContact CB-CB 4.01Å; P130-V249 HydrophobicContact CB-CG1 4.47Å; P130-V249 HydrophobicContact CB-CG2 3.88Å; P130-V249 HydrophobicContact CG-CG2 4.06Å; T155-V249 CarbonylContact O-C 3.58Å; T155-V249 PolarHBondContact O-N 3.49Å; Y156-V249 CarbonylContact C-O 3.52Å; Y156-V249 VanDerWaalsContact C-O 3.26Å; Y156-V249 VanDerWaalsContact CA-O 3.29Å; Y156-V249 WeakPolarHBondContact CA-O 3.23Å; S157-V249 PolarHBondContact N-O 3.5Å; S157-V249 VanDerWaalsContact N-O 3.12Å; S157-V249 PolarHBondContact OG-O 3.09Å | ||
| 250 | L | 97.5 | Very high | 97.7 | Very high | 88 Ų | 88 | 58.4 Ų | 58.4 | 46% | 0.461 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -76.7 | 142.7 | -169.4 | -55.4 | -175.6 | 0 | 0 | 0 | 111.4 | Y79 S157 P248 | Y79-L250 HydrophobicContact CD1-CD1 4.34Å; Y79-L250 HydrophobicContact CD1-CD2 3.84Å; Y79-L250 HydrophobicContact CD2-CD2 4.17Å; Y79-L250 HydrophobicContact CE1-CD1 3.84Å; Y79-L250 HydrophobicContact CE1-CD2 3.49Å; Y79-L250 VanDerWaalsContact CE1-CD2 3.49Å; Y79-L250 HydrophobicContact CE1-CG 4.28Å; Y79-L250 HydrophobicContact CE2-CD2 3.84Å; Y79-L250 HydrophobicContact CG-CD2 4.17Å; Y79-L250 VanDerWaalsContact CZ-CD2 3.48Å; S157-L250 PolarHBondContact OG-O 2.88Å; P248-L250 HydrophobicContact CB-CD2 3.82Å |
| 251 | P | 97.9 | Very high | 97.3 | Very high | 10 Ų | 10 | 57.2 Ų | 57.2 | 7% | 0.065 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -77.4 | 159.8 | -177.3 | 31.8 | -33.3 | 0 | 0 | 0 | 110.3 | T77 Y154 S157 D255 H276 | T77-P251 HydrophobicContact CG2-CG 4.31Å; T77-P251 WeakPolarHBondContact CG2-O 3.31Å; Y154-P251 WeakPolarHBondContact O-CD 3.29Å; S157-P251 WeakPolarHBondContact OG-CA 3.43Å; P251-D255 HydrophobicContact CB-CB 4.31Å; P251-H276 WeakPolarHBondContact CB-NE2 3.16Å; P251-H276 WeakPolarHBondContact CG-NE2 3.28Å |
| 252 | K | 98.3 | Very high | 96.2 | Very high | 122 Ų | 122 | 58.5 Ų | 58.5 | 53% | 0.53 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -96.3 | 160.7 | 165.8 | -58.2 | 179.5 | -175.4 | 172.3 | 0 | 110.4 | E254 D255 | K252-E254 HydrophobicContact CB-CG 4.34Å; K252-E254 WeakPolarHBondContact CB-OE2 3.26Å; K252-E254 VanDerWaalsContact CD-OE1 3.3Å; K252-E254 WeakPolarHBondContact CD-OE1 3.42Å; K252-E254 PolarHBondContact O-N 3.21Å; K252-D255 PolarHBondContact N-OD2 3.12Å; K252-D255 WeakPolarHBondContact O-CB 3.39Å; K252-D255 PolarHBondContact O-N 3.39Å; K252-D255 VanDerWaalsContact O-N 3.08Å |
| 253 | P | 98.3 | Very high | 94.6 | Very high | 26 Ų | 26 | 55.5 Ų | 55.5 | 17% | 0.169 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -37.6 | 178.3 | -26.5 | 35.8 | 0 | 0 | 0 | 113.8 | Y70 K76 T77 D255 T275 H276 E277 | Y70-P253 VanDerWaalsContact OH-CB 3.26Å; Y70-P253 WeakPolarHBondContact OH-CB 2.98Å; K76-P253 HydrophobicContact CB-CG 3.98Å; T77-P253 HydrophobicContact CG2-CG 4.23Å; P253-D255 VanDerWaalsContact C-N 3.28Å; P253-D255 PolarHBondContact O-N 2.89Å; P253-T275 WeakPolarHBondContact O-CB 3.38Å; P253-H276 PolarHBondContact O-N 3.06Å; P253-E277 HydrophobicContact CB-CB 3.9Å; P253-E277 WeakPolarHBondContact O-CB 3.36Å; P253-E277 PolarHBondContact O-N 3.42Å |
| 254 | E | 97.9 | Very high | 92.4 | Very high | 97 Ų | 97 | 50.7 Ų | 50.7 | 45% | 0.453 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -12 | 179.8 | 64.6 | -89.3 | -153 | 0 | 0 | 114.5 | K252 T275 K503 | K252-E254 HydrophobicContact CB-CG 4.34Å; K252-E254 WeakPolarHBondContact CB-OE2 3.26Å; K252-E254 VanDerWaalsContact CD-OE1 3.3Å; K252-E254 WeakPolarHBondContact CD-OE1 3.42Å; K252-E254 PolarHBondContact O-N 3.21Å; E254-T275 WeakPolarHBondContact O-CG2 3.3Å; E254-K503 PolarHBondContact O-NZ 3.15Å |
| 255 | D | 98.4 | Very high | 89.7 | Confident | 42 Ų | 42 | 50.5 Ų | 50.5 | 23% | 0.225 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -71.3 | 148.5 | 179.6 | -70.6 | -23.8 | 0 | 0 | 0 | 110.8 | S132 P251 K252 P253 S257 T275 H276 | S132-D255 WeakPolarHBondContact OG-CB 3.27Å; P251-D255 HydrophobicContact CB-CB 4.31Å; K252-D255 PolarHBondContact N-OD2 3.12Å; K252-D255 WeakPolarHBondContact O-CB 3.39Å; K252-D255 PolarHBondContact O-N 3.39Å; K252-D255 VanDerWaalsContact O-N 3.08Å; P253-D255 VanDerWaalsContact C-N 3.28Å; P253-D255 PolarHBondContact O-N 2.89Å; D255-S257 PolarHBondContact O-N 3.21Å; D255-T275 CarbonylContact O-C 3.59Å; D255-T275 WeakPolarHBondContact O-CA 3.22Å; D255-T275 WeakPolarHBondContact O-CB 3.16Å; D255-H276 PolarHBondContact O-N 3.41Å |
| 256 | L | 98.6 | Very high | 87.2 | Confident | 21 Ų | 21 | 51.9 Ų | 51.9 | 11% | 0.11 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 132.5 | 175 | -69.2 | -178.3 | 0 | 0 | 0 | 109.7 | V159 M273 T275 K503 | V159-L256 HydrophobicContact CG1-CB 4.16Å; V159-L256 HydrophobicContact CG2-CB 3.68Å; L256-M273 HydrophobicContact CD1-SD 4.3Å; L256-M273 HydrophobicContact CD2-CB 3.87Å; L256-T275 HydrophobicContact CD2-CG2 4.31Å; L256-K503 HydrophobicContact CD2-CD 3.98Å |
| 257 | S | 98.4 | Very high | 85.4 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | -39.5 | 173 | 67.8 | 0 | 0 | 0 | 0 | 111.2 | Y154 V160 D255 L274 T275 | Y154-S257 WeakPolarHBondContact CE1-O 3.48Å; V160-S257 PolarHBondContact N-O 3.46Å; D255-S257 PolarHBondContact O-N 3.21Å; S257-L274 PolarHBondContact N-O 2.95Å; S257-L274 PolarHBondContact OG-O 3.23Å; S257-T275 PolarHBondContact OG-O 3.44Å |
| 258 | I | 98.5 | Very high | 84.1 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 143.2 | -171.4 | -176.3 | 129.8 | 0 | 0 | 0 | 112 | V160 P162 L274 V279 M311 R314 | V160-I258 HydrophobicContact CB-CD1 3.83Å; V160-I258 HydrophobicContact CB-CG1 4.4Å; V160-I258 HydrophobicContact CG1-CD1 3.75Å; V160-I258 VanDerWaalsContact O-CA 3.26Å; V160-I258 WeakPolarHBondContact O-CA 3.34Å; V160-I258 WeakPolarHBondContact O-CG1 3.2Å; P162-I258 HydrophobicContact CG-CD1 3.32Å; P162-I258 HydrophobicContact CG-CG1 4.17Å; I258-L274 HydrophobicContact CG2-CB 3.78Å; I258-L274 HydrophobicContact CG2-CD1 4.24Å; I258-L274 PolarHBondContact N-O 2.88Å; I258-L274 PolarHBondContact O-N 3.36Å; I258-V279 HydrophobicContact CG2-CG2 4.46Å; I258-M311 HydrophobicContact CG2-SD 4.38Å; I258-R314 VanDerWaalsContact CD1-NH2 3.34Å; I258-R314 VanDerWaalsContact CG1-NH1 3.25Å |
| 259 | V | 98.3 | Very high | 83.4 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 112.9 | 164.2 | -175.5 | 0 | 0 | 0 | 0 | 109.4 | F135 V159 V160 V161 P162 F261 A272 M273 L506 | F135-V259 HydrophobicContact CD1-CG2 4.2Å; F135-V259 HydrophobicContact CE1-CG2 3.65Å; V159-V259 HydrophobicContact CG1-CG2 4.02Å; V160-V259 PolarHBondContact O-N 3.39Å; V161-V259 HydrophobicContact CG2-CB 4.27Å; P162-V259 VanDerWaalsContact CD-O 3.26Å; P162-V259 WeakPolarHBondContact CD-O 3.33Å; V259-F261 HydrophobicContact CG1-CD2 4.26Å; V259-F261 HydrophobicContact CG1-CE2 3.83Å; V259-F261 HydrophobicContact CG1-CZ 4.43Å; V259-A272 WeakPolarHBondContact CA-O 3.11Å; V259-M273 HydrophobicContact CG2-CG 4.15Å; V259-L506 HydrophobicContact CG1-CB 4.11Å; V259-L506 HydrophobicContact CG1-CD2 4.13Å |
| 260 | C | 94.3 | Very high | 83 | Confident | 4 Ų | 4 | 45.4 Ų | 45.4 | 3% | 0.027 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 120.1 | 177.8 | -81.5 | 0 | 0 | 0 | 0 | 110.2 | G271 A272 T447 | C260-G271 CarbonylContact O-C 3.54Å; C260-A272 PolarHBondContact N-O 2.9Å; C260-A272 PolarHBondContact O-N 3.46Å; C260-T447 HydrophobicContact CB-CG2 3.49Å; C260-T447 VanDerWaalsContact CB-CG2 3.49Å |
| 261 | F | 89.1 | Confident | 82.8 | Confident | 22 Ų | 22 | 41.3 Ų | 41.3 | 10% | 0.096 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 121.9 | 175.4 | -77.7 | -96.7 | 0 | 0 | 0 | 111.4 | V161 F174 I175 Q178 A179 V259 P269 K270 L506 | V161-F261 HydrophobicContact CG1-CD2 3.89Å; V161-F261 HydrophobicContact CG1-CE2 3.74Å; F174-F261 HydrophobicContact CE1-CE1 4.15Å; I175-F261 HydrophobicContact CB-CD2 4.34Å; I175-F261 HydrophobicContact CB-CE2 4.38Å; I175-F261 HydrophobicContact CB-CG 4.44Å; I175-F261 HydrophobicContact CB-CZ 4.46Å; I175-F261 HydrophobicContact CD1-CB 3.7Å; I175-F261 HydrophobicContact CD1-CD1 4.37Å; I175-F261 HydrophobicContact CD1-CD2 4.34Å; I175-F261 HydrophobicContact CD1-CG 3.9Å; I175-F261 HydrophobicContact CG1-CB 3.97Å; I175-F261 HydrophobicContact CG1-CD1 3.66Å; I175-F261 HydrophobicContact CG1-CD2 3.96Å; I175-F261 HydrophobicContact CG1-CE1 4.05Å; I175-F261 HydrophobicContact CG1-CE2 4.36Å; I175-F261 HydrophobicContact CG1-CG 3.58Å; I175-F261 HydrophobicContact CG1-CZ 4.38Å; I175-F261 HydrophobicContact CG2-CD2 3.56Å; I175-F261 HydrophobicContact CG2-CE2 3.53Å; I175-F261 HydrophobicContact CG2-CG 4.11Å; I175-F261 HydrophobicContact CG2-CZ 4.02Å; Q178-F261 HydrophobicContact CB-CE1 4.38Å; Q178-F261 HydrophobicContact CB-CZ 4.26Å; Q178-F261 HydrophobicContact CG-CE1 4.15Å; Q178-F261 HydrophobicContact CG-CZ 4.17Å; A179-F261 HydrophobicContact CB-CE2 4.38Å; A179-F261 HydrophobicContact CB-CZ 4.43Å; V259-F261 HydrophobicContact CG1-CD2 4.26Å; V259-F261 HydrophobicContact CG1-CE2 3.83Å; V259-F261 HydrophobicContact CG1-CZ 4.43Å; F261-P269 HydrophobicContact CB-CB 4.02Å; F261-P269 HydrophobicContact CD1-CB 3.97Å; F261-P269 HydrophobicContact CG-CB 4.48Å; F261-K270 VanDerWaalsContact CA-O 3.32Å; F261-K270 WeakPolarHBondContact CA-O 3.1Å; F261-L506 HydrophobicContact CZ-CD2 4.24Å |
| 262 | T | 75.9 | Confident | 82.8 | Confident | 27 Ų | 27 | 40.8 Ų | 40.8 | 17% | 0.166 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 132.8 | 177.6 | 61.9 | 0 | 0 | 0 | 0 | 110.2 | G264 P269 K270 T447 | T262-G264 PolarHBondContact O-N 2.85Å; T262-P269 VanDerWaalsContact O-CA 3.31Å; T262-P269 WeakPolarHBondContact O-CA 3.12Å; T262-K270 PolarHBondContact N-O 3.08Å; T262-K270 PolarHBondContact O-N 3.43Å; T262-K270 PolarHBondContact OG1-O 3.38Å; T262-T447 HydrophobicContact CG2-CG2 3.87Å; T262-T447 WeakPolarHBondContact CG2-OG1 3.21Å |
| 263 | S | 64.1 | Low | 82.8 | Confident | 54 Ų | 54 | 36.6 Ų | 36.6 | 38% | 0.378 | 23% | 0.227 | S | C | . | . | trans | -70.7 | 109.6 | 165.4 | 36.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 264 | G | 51.5 | Low | 82.8 | Confident | 30 Ų | 30 | 35.4 Ų | 35.4 | 31% | 0.309 | 22% | 0.219 | S | C | . | . | trans | -68.6 | 168.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | T262 T266 | T262-G264 PolarHBondContact O-N 2.85Å; G264-T266 PolarHBondContact O-N 3.16Å | ||
| 265 | T | 41 | Very low | 82.9 | Confident | 57 Ų | 57 | 31 Ų | 31 | 35% | 0.35 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -66.9 | -12 | 174.4 | 49.5 | 0 | 0 | 0 | 0 | 113.3 | ||
| 266 | T | 44.2 | Very low | 82.9 | Confident | 120 Ų | 120 | 29 Ų | 29 | 74% | 0.736 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -152.2 | 124.3 | 179.3 | 55.4 | 0 | 0 | 0 | 0 | 109.8 | G264 | G264-T266 PolarHBondContact O-N 3.16Š|
| 267 | G | 59.3 | Low | 82.9 | Confident | 69 Ų | 69 | 30.5 Ų | 30.5 | 71% | 0.711 | 20% | 0.195 | S | C | * | . | S | Bend | trans | 94.5 | -168.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 268 | N | 69.9 | Low | 82.9 | Confident | 109 Ų | 109 | 31 Ų | 31 | 58% | 0.583 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -61.2 | 147.8 | -176.4 | -70.7 | -31.7 | 0 | 0 | 0 | 112.2 | F174 | F174-N268 HydrophobicContact CD1-CB 4.25Å; F174-N268 HydrophobicContact CD2-CB 4.07Å; F174-N268 HydrophobicContact CE1-CB 3.99Å; F174-N268 HydrophobicContact CE2-CB 3.79Å; F174-N268 HydrophobicContact CG-CB 4.3Å; F174-N268 HydrophobicContact CZ-CB 3.75Å |
| 269 | P | 82.6 | Confident | 82.9 | Confident | 12 Ų | 12 | 31 Ų | 31 | 8% | 0.078 | 20% | 0.197 | C | C | . | . | trans | -57.8 | 141.9 | 175.7 | -22.3 | 32.2 | 0 | 0 | 0 | 112.2 | A171 F174 F261 T262 | A171-P269 HydrophobicContact CB-CG 3.86Å; F174-P269 WeakPolarHBondContact CE1-O 3.32Å; F261-P269 HydrophobicContact CB-CB 4.02Å; F261-P269 HydrophobicContact CD1-CB 3.97Å; F261-P269 HydrophobicContact CG-CB 4.48Å; T262-P269 VanDerWaalsContact O-CA 3.31Å; T262-P269 WeakPolarHBondContact O-CA 3.12Å | ||
| 270 | K | 88.7 | Confident | 82.9 | Confident | 43 Ų | 43 | 31.3 Ų | 31.3 | 19% | 0.187 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 126.9 | 179.3 | -63.4 | 178.8 | -76.4 | 155.6 | 0 | 110.7 | F261 T262 A272 Y505 K511 | F261-K270 VanDerWaalsContact CA-O 3.32Å; F261-K270 WeakPolarHBondContact CA-O 3.1Å; T262-K270 PolarHBondContact N-O 3.08Å; T262-K270 PolarHBondContact O-N 3.43Å; T262-K270 PolarHBondContact OG1-O 3.38Å; K270-A272 PolarHBondContact O-N 2.92Å; K270-Y505 HydrophobicContact CB-CD1 3.58Å; K270-Y505 HydrophobicContact CB-CE1 3.73Å; K270-Y505 HydrophobicContact CB-CG 4.13Å; K270-Y505 HydrophobicContact CD-CD2 4.45Å; K270-Y505 HydrophobicContact CD-CE1 4.37Å; K270-Y505 HydrophobicContact CD-CE2 4.24Å; K270-Y505 PolarHBondContact NZ-OH 3.34Å; K270-Y505 VanDerWaalsContact NZ-OH 3.11Å; K270-K511 HydrophobicContact CD-CB 4.1Å; K270-K511 HydrophobicContact CD-CG 4.05Å |
| 271 | G | 94.3 | Very high | 83 | Confident | 2 Ų | 2 | 31.1 Ų | 31.1 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 96.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | C260 M273 Y505 L506 | C260-G271 CarbonylContact O-C 3.54Å; G271-M273 PolarHBondContact O-N 3.38Å; G271-Y505 CarbonylContact O-C 3.54Å; G271-Y505 VanDerWaalsContact O-CA 3.32Å; G271-Y505 WeakPolarHBondContact O-CA 3.43Å; G271-L506 PolarHBondContact O-N 2.81Å |
| 272 | A | 96.9 | Very high | 83.5 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 118.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111 | V259 C260 K270 T447 F502 Y505 | V259-A272 WeakPolarHBondContact CA-O 3.11Å; C260-A272 PolarHBondContact N-O 2.9Å; C260-A272 PolarHBondContact O-N 3.46Å; K270-A272 PolarHBondContact O-N 2.92Å; A272-T447 HydrophobicContact CB-CG2 3.7Å; A272-F502 HydrophobicContact CB-CD2 3.76Å; A272-F502 HydrophobicContact CB-CE2 4.34Å; A272-Y505 HydrophobicContact CB-CD1 4.44Å; A272-Y505 HydrophobicContact CB-CE1 4.42Å |
| 273 | M | 98.4 | Very high | 84.4 | Confident | 34 Ų | 34 | 29 Ų | 29 | 17% | 0.167 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 109.2 | -177 | -62.5 | -172.6 | -70.3 | 0 | 0 | 111.6 | L256 V259 G271 F502 K503 G504 L506 | L256-M273 HydrophobicContact CD1-SD 4.3Å; L256-M273 HydrophobicContact CD2-CB 3.87Å; V259-M273 HydrophobicContact CG2-CG 4.15Å; G271-M273 PolarHBondContact O-N 3.38Å; M273-F502 WeakPolarHBondContact O-CB 3.23Å; M273-K503 HydrophobicContact CB-CB 4.29Å; M273-K503 HydrophobicContact CE-CB 4.46Å; M273-K503 PolarHBondContact O-N 2.97Å; M273-G504 WeakPolarHBondContact CB-O 3.38Å; M273-G504 PolarHBondContact N-O 3.02Å; M273-L506 HydrophobicContact CG-CB 3.96Å; M273-L506 HydrophobicContact CG-CD1 4.28Å; M273-L506 HydrophobicContact SD-CB 4.17Å; M273-L506 HydrophobicContact SD-CD1 3.71Å |
| 274 | L | 98.7 | Very high | 85.9 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 128 | -178.3 | -68.1 | 166.3 | 0 | 0 | 0 | 111.1 | S257 I258 N278 V279 M311 T447 A450 F502 | S257-L274 PolarHBondContact N-O 2.95Å; S257-L274 PolarHBondContact OG-O 3.23Å; I258-L274 HydrophobicContact CG2-CB 3.78Å; I258-L274 HydrophobicContact CG2-CD1 4.24Å; I258-L274 PolarHBondContact N-O 2.88Å; I258-L274 PolarHBondContact O-N 3.36Å; L274-N278 HydrophobicContact CD2-CB 4.06Å; L274-V279 HydrophobicContact CB-CG2 4.33Å; L274-M311 HydrophobicContact CD1-CE 3.7Å; L274-M311 HydrophobicContact CD1-CG 3.92Å; L274-M311 HydrophobicContact CD1-SD 3.57Å; L274-M311 VanDerWaalsContact CD1-SD 3.57Å; L274-T447 HydrophobicContact CD1-CG2 4.47Å; L274-A450 HydrophobicContact CD2-CB 4.2Å; L274-F502 HydrophobicContact CD2-CB 3.7Å; L274-F502 HydrophobicContact CG-CB 4.4Å |
| 275 | T | 98.8 | Very high | 88 | Confident | 5 Ų | 5 | 25.2 Ų | 25.2 | 3% | 0.031 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 168.8 | 174.9 | 62.7 | 0 | 0 | 0 | 0 | 112.3 | P253 E254 D255 L256 S257 E277 N278 V279 K503 | P253-T275 WeakPolarHBondContact O-CB 3.38Å; E254-T275 WeakPolarHBondContact O-CG2 3.3Å; D255-T275 CarbonylContact O-C 3.59Å; D255-T275 WeakPolarHBondContact O-CA 3.22Å; D255-T275 WeakPolarHBondContact O-CB 3.16Å; L256-T275 HydrophobicContact CD2-CG2 4.31Å; S257-T275 PolarHBondContact OG-O 3.44Å; T275-E277 VanDerWaalsContact C-N 3.32Å; T275-E277 PolarHBondContact OG1-N 2.93Å; T275-N278 PolarHBondContact N-OD1 3.32Å; T275-N278 PolarHBondContact O-N 2.9Å; T275-N278 PolarHBondContact OG1-N 3.45Å; T275-N278 PolarHBondContact OG1-ND2 3.47Å; T275-N278 PolarHBondContact OG1-OD1 3.11Å; T275-V279 WeakPolarHBondContact O-CG2 3.41Å; T275-V279 PolarHBondContact O-N 3.41Å; T275-K503 HydrophobicContact CG2-CD 3.63Å; T275-K503 HydrophobicContact CG2-CG 3.96Å |
| 276 | H | 98.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.8 | -44.3 | 167.7 | -78.1 | -75.3 | 0 | 0 | 0 | 112 | T77 L78 Y154 P251 P253 D255 N278 V279 V280 | T77-H276 HydrophobicContact CG2-CB 4.23Å; L78-H276 PolarHBondContact N-ND1 2.85Å; Y154-H276 AromaticContact CD1-CE1 3.49Å; Y154-H276 VanDerWaalsContact CD1-CE1 3.49Å; Y154-H276 WeakPolarHBondContact CD1-CE1 3.39Å; Y154-H276 AromaticContact CE1-CE1 3.92Å; Y154-H276 AromaticContact CG-CE1 3.78Å; P251-H276 WeakPolarHBondContact CB-NE2 3.16Å; P251-H276 WeakPolarHBondContact CG-NE2 3.28Å; P253-H276 PolarHBondContact O-N 3.06Å; D255-H276 PolarHBondContact O-N 3.41Å; H276-N278 VanDerWaalsContact C-N 3.32Å; H276-N278 PolarHBondContact O-N 3.25Å; H276-V279 PolarHBondContact O-N 2.83Å; H276-V280 WeakPolarHBondContact O-CB 3.37Å; H276-V280 VanDerWaalsContact O-CG2 3.29Å; H276-V280 WeakPolarHBondContact O-CG2 3.15Å; H276-V280 PolarHBondContact O-N 2.86Å |
| 277 | E | 98.5 | Very high | 92.8 | Very high | 53 Ų | 53 | 18.3 Ų | 18.3 | 25% | 0.248 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61 | -40.4 | 178.4 | -172.8 | 174.9 | -131.4 | 0 | 0 | 111.6 | Y70 P253 T275 V279 V280 A281 T499 | Y70-E277 HydrophobicContact CE1-CG 4.13Å; Y70-E277 VanDerWaalsContact CZ-OE1 3.28Å; Y70-E277 WeakPolarHBondContact OH-CG 3.34Å; Y70-E277 PolarHBondContact OH-OE1 2.76Å; P253-E277 HydrophobicContact CB-CB 3.9Å; P253-E277 WeakPolarHBondContact O-CB 3.36Å; P253-E277 PolarHBondContact O-N 3.42Å; T275-E277 VanDerWaalsContact C-N 3.32Å; T275-E277 PolarHBondContact OG1-N 2.93Å; E277-V279 VanDerWaalsContact C-N 3.33Å; E277-V279 PolarHBondContact O-N 3.44Å; E277-V280 PolarHBondContact O-N 3.24Å; E277-A281 WeakPolarHBondContact O-CB 3.09Å; E277-A281 PolarHBondContact O-N 3.38Å; E277-T499 HydrophobicContact CG-CG2 3.59Å |
| 278 | N | 98.4 | Very high | 94.3 | Very high | 11 Ų | 11 | 18.4 Ų | 18.4 | 6% | 0.059 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -57.1 | -48.2 | 179.5 | -63.8 | 142.9 | 0 | 0 | 0 | 111.8 | L274 T275 H276 D282 T499 N500 V501 | L274-N278 HydrophobicContact CD2-CB 4.06Å; T275-N278 PolarHBondContact N-OD1 3.32Å; T275-N278 PolarHBondContact O-N 2.9Å; T275-N278 PolarHBondContact OG1-N 3.45Å; T275-N278 PolarHBondContact OG1-ND2 3.47Å; T275-N278 PolarHBondContact OG1-OD1 3.11Å; H276-N278 VanDerWaalsContact C-N 3.32Å; H276-N278 PolarHBondContact O-N 3.25Å; N278-D282 PolarHBondContact O-N 3.32Å; N278-T499 WeakPolarHBondContact CA-O 3.16Å; N278-T499 PolarHBondContact ND2-O 2.96Å; N278-N500 WeakPolarHBondContact O-CB 3.27Å; N278-V501 PolarHBondContact ND2-O 3.07Å |
| 279 | V | 98.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -73.2 | -39.8 | -176.2 | -174.5 | 0 | 0 | 0 | 0 | 111 | L78 I258 L274 T275 H276 E277 A283 M311 I315 | L78-V279 HydrophobicContact CD1-CB 4.12Å; L78-V279 HydrophobicContact CD1-CG1 4.07Å; L78-V279 HydrophobicContact CD1-CG2 4.4Å; L78-V279 HydrophobicContact CD2-CB 4.07Å; L78-V279 HydrophobicContact CD2-CG1 3.64Å; L78-V279 HydrophobicContact CG-CB 4.42Å; L78-V279 HydrophobicContact CG-CG1 4.38Å; I258-V279 HydrophobicContact CG2-CG2 4.46Å; L274-V279 HydrophobicContact CB-CG2 4.33Å; T275-V279 WeakPolarHBondContact O-CG2 3.41Å; T275-V279 PolarHBondContact O-N 3.41Å; H276-V279 PolarHBondContact O-N 2.83Å; E277-V279 VanDerWaalsContact C-N 3.33Å; E277-V279 PolarHBondContact O-N 3.44Å; V279-A283 WeakPolarHBondContact O-CB 3.22Å; V279-A283 PolarHBondContact O-N 3.07Å; V279-A283 VanDerWaalsContact O-N 3.12Å; V279-M311 HydrophobicContact CG1-CE 4.35Å; V279-M311 HydrophobicContact CG2-CE 3.98Å; V279-I315 HydrophobicContact CB-CD1 4.34Å; V279-I315 HydrophobicContact CG1-CD1 3.48Å; V279-I315 VanDerWaalsContact CG1-CD1 3.48Å; V279-I315 WeakPolarHBondContact O-CD1 3.41Å |
| 280 | V | 98.4 | Very high | 95.3 | Very high | 6 Ų | 6 | 12.9 Ų | 12.9 | 4% | 0.036 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -68.1 | -38.6 | 177.7 | 175.4 | 0 | 0 | 0 | 0 | 111.5 | Y70 L78 V81 H276 E277 A283 A284 | Y70-V280 HydrophobicContact CD1-CG1 3.84Å; Y70-V280 HydrophobicContact CE1-CG1 4.37Å; L78-V280 HydrophobicContact CD2-CG2 4Å; L78-V280 HydrophobicContact CG-CG2 4.32Å; V81-V280 HydrophobicContact CG2-CG1 4.36Å; V81-V280 HydrophobicContact CG2-CG2 3.93Å; H276-V280 WeakPolarHBondContact O-CB 3.37Å; H276-V280 VanDerWaalsContact O-CG2 3.29Å; H276-V280 WeakPolarHBondContact O-CG2 3.15Å; H276-V280 PolarHBondContact O-N 2.86Å; E277-V280 PolarHBondContact O-N 3.24Å; V280-A283 PolarHBondContact O-N 3.19Å; V280-A284 WeakPolarHBondContact O-CB 3.33Å; V280-A284 PolarHBondContact O-N 3.25Å |
| 281 | A | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -62.4 | -45.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | S69 E277 A284 A285 C472 T499 | S69-A281 WeakPolarHBondContact O-CA 3.33Å; S69-A281 PolarHBondContact O-N 3.48Å; E277-A281 WeakPolarHBondContact O-CB 3.09Å; E277-A281 PolarHBondContact O-N 3.38Å; A281-A284 PolarHBondContact O-N 2.93Å; A281-A285 VanDerWaalsContact O-CB 3.28Å; A281-A285 WeakPolarHBondContact O-CB 3.23Å; A281-A285 PolarHBondContact O-N 2.85Å; A281-C472 HydrophobicContact CB-CB 4.29Å; A281-T499 HydrophobicContact CB-CG2 4.04Å |
| 282 | D | 97.8 | Very high | 94 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.4 | -49.6 | 176.7 | -168.4 | -151.2 | 0 | 0 | 0 | 111.2 | N278 A284 A285 V286 I315 A450 A451 A452 L470 N500 | N278-D282 PolarHBondContact O-N 3.32Å; D282-A284 VanDerWaalsContact C-N 3.33Å; D282-A284 PolarHBondContact O-N 3.4Å; D282-A285 PolarHBondContact O-N 2.96Å; D282-V286 WeakPolarHBondContact O-CG2 3.36Å; D282-V286 PolarHBondContact O-N 3.01Å; D282-I315 HydrophobicContact CB-CD1 3.91Å; D282-I315 WeakPolarHBondContact OD1-CG1 3.3Å; D282-A450 HydrophobicContact CB-CB 3.96Å; D282-A451 PolarHBondContact OD1-N 3.47Å; D282-A451 VanDerWaalsContact OD1-N 3.11Å; D282-A452 PolarHBondContact OD1-N 3.02Å; D282-L470 WeakPolarHBondContact OD2-CD1 3.38Å; D282-N500 HydrophobicContact CB-CB 3.91Å |
| 283 | A | 96.7 | Very high | 92.8 | Very high | 5 Ų | 5 | 18.4 Ų | 18.4 | 4% | 0.041 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59.8 | -40.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | V279 V280 L287 T318 V319 | V279-A283 WeakPolarHBondContact O-CB 3.22Å; V279-A283 PolarHBondContact O-N 3.07Å; V279-A283 VanDerWaalsContact O-N 3.12Å; V280-A283 PolarHBondContact O-N 3.19Å; A283-L287 WeakPolarHBondContact O-CB 3.34Å; A283-L287 PolarHBondContact O-N 2.92Å; A283-T318 HydrophobicContact CB-CG2 3.74Å; A283-V319 HydrophobicContact CB-CG2 3.8Å |
| 284 | A | 95.5 | Very high | 91.9 | Very high | 4 Ų | 4 | 17.9 Ų | 17.9 | 3% | 0.033 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -65.1 | -41.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | M68 R71 V280 A281 D282 L287 R288 | M68-A284 HydrophobicContact CE-CB 4.03Å; R71-A284 HydrophobicContact CB-CB 3.8Å; V280-A284 WeakPolarHBondContact O-CB 3.33Å; V280-A284 PolarHBondContact O-N 3.25Å; A281-A284 PolarHBondContact O-N 2.93Å; D282-A284 VanDerWaalsContact C-N 3.33Å; D282-A284 PolarHBondContact O-N 3.4Å; A284-L287 PolarHBondContact O-N 3.2Å; A284-R288 WeakPolarHBondContact O-CB 3.41Å; A284-R288 PolarHBondContact O-N 3.34Å |
| 285 | A | 95.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -70.5 | -37.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A281 D282 R288 T289 L470 P471 C472 | A281-A285 VanDerWaalsContact O-CB 3.28Å; A281-A285 WeakPolarHBondContact O-CB 3.23Å; A281-A285 PolarHBondContact O-N 2.85Å; D282-A285 PolarHBondContact O-N 2.96Å; A285-R288 PolarHBondContact O-N 3.38Å; A285-T289 PolarHBondContact O-N 3.42Å; A285-T289 VanDerWaalsContact O-N 3.07Å; A285-T289 PolarHBondContact O-OG1 2.55Å; A285-L470 HydrophobicContact CB-CB 3.94Å; A285-L470 HydrophobicContact CB-CD1 4.41Å; A285-L470 HydrophobicContact CB-CD2 4.49Å; A285-P471 HydrophobicContact CB-CB 4.16Å; A285-P471 HydrophobicContact CB-CG 4.37Å; A285-C472 HydrophobicContact CB-CB 3.83Å; A285-C472 WeakPolarHBondContact CB-SG 3.46Å |
| 286 | V | 93.3 | Very high | 90.8 | Very high | 12 Ų | 12 | 21.8 Ų | 21.8 | 7% | 0.073 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.5 | -49 | 170.4 | 169.5 | 0 | 0 | 0 | 0 | 110.6 | D282 R288 T289 F290 I315 A452 L470 | D282-V286 WeakPolarHBondContact O-CG2 3.36Å; D282-V286 PolarHBondContact O-N 3.01Å; V286-R288 VanDerWaalsContact C-N 3.33Å; V286-R288 PolarHBondContact O-N 3.12Å; V286-T289 WeakPolarHBondContact O-CB 3.27Å; V286-T289 PolarHBondContact O-N 3.1Å; V286-T289 VanDerWaalsContact O-N 3.11Å; V286-F290 HydrophobicContact CG1-CD2 3.88Å; V286-F290 HydrophobicContact CG1-CE2 3.32Å; V286-F290 HydrophobicContact CG1-CZ 4.18Å; V286-F290 VanDerWaalsContact O-CD2 3.23Å; V286-F290 WeakPolarHBondContact O-CD2 3.48Å; V286-F290 PolarHBondContact O-N 2.85Å; V286-I315 HydrophobicContact CG2-CG2 4.48Å; V286-A452 HydrophobicContact CG2-CB 4.32Å; V286-L470 HydrophobicContact CG2-CD1 3.9Å; V286-L470 HydrophobicContact CG2-CD2 4.26Å |
| 287 | L | 91.7 | Very high | 90.6 | Very high | 20 Ų | 20 | 24.2 Ų | 24.2 | 11% | 0.105 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.6 | -44.5 | 176.1 | -85.4 | 171.6 | 0 | 0 | 0 | 112.6 | Y72 A283 A284 T289 F290 E291 P296 V319 | Y72-L287 HydrophobicContact CE2-CD1 4.32Å; A283-L287 WeakPolarHBondContact O-CB 3.34Å; A283-L287 PolarHBondContact O-N 2.92Å; A284-L287 PolarHBondContact O-N 3.2Å; L287-T289 PolarHBondContact O-N 3.15Å; L287-F290 PolarHBondContact O-N 3.48Å; L287-E291 PolarHBondContact O-N 2.86Å; L287-P296 HydrophobicContact CD2-CG 3.99Å; L287-V319 HydrophobicContact CD1-CG1 4.35Å; L287-V319 HydrophobicContact CD2-CG1 3.6Å; L287-V319 HydrophobicContact CG-CG1 3.82Å; L287-V319 HydrophobicContact CG-CG2 4.14Å |
| 288 | R | 90.9 | Very high | 90.6 | Very high | 70 Ų | 70 | 23.8 Ų | 23.8 | 26% | 0.264 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -60.7 | -34.6 | 177.6 | 176.7 | 62.5 | -178.6 | 97.3 | 3.6 | 112.3 | M60 M68 A284 A285 V286 F290 E291 P471 | M60-R288 PolarHBondContact O-NH2 3.05Å; M68-R288 HydrophobicContact CE-CB 4.18Å; M68-R288 HydrophobicContact SD-CB 3.71Å; M68-R288 HydrophobicContact SD-CG 3.98Å; A284-R288 WeakPolarHBondContact O-CB 3.41Å; A284-R288 PolarHBondContact O-N 3.34Å; A285-R288 PolarHBondContact O-N 3.38Å; V286-R288 VanDerWaalsContact C-N 3.33Å; V286-R288 PolarHBondContact O-N 3.12Å; R288-F290 VanDerWaalsContact C-N 3.33Å; R288-E291 WeakPolarHBondContact CD-OE2 3.14Å; R288-E291 IonicContact NH1-OE2 2.87Å; R288-P471 HydrophobicContact CB-CG 4.15Å; R288-P471 HydrophobicContact CG-CB 4.4Å; R288-P471 HydrophobicContact CG-CG 3.81Å |
| 289 | T | 89.3 | Confident | 90.4 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.8 | -34.6 | 178 | -57.3 | 0 | 0 | 0 | 0 | 112 | M60 A285 V286 L287 F455 L457 P458 L470 | M60-T289 HydrophobicContact CE-CG2 4.25Å; A285-T289 PolarHBondContact O-N 3.42Å; A285-T289 VanDerWaalsContact O-N 3.07Å; A285-T289 PolarHBondContact O-OG1 2.55Å; V286-T289 WeakPolarHBondContact O-CB 3.27Å; V286-T289 PolarHBondContact O-N 3.1Å; V286-T289 VanDerWaalsContact O-N 3.11Å; L287-T289 PolarHBondContact O-N 3.15Å; T289-F455 HydrophobicContact CG2-CB 4.45Å; T289-F455 HydrophobicContact CG2-CD1 4.31Å; T289-L457 HydrophobicContact CG2-CD2 3.84Å; T289-P458 VanDerWaalsContact O-CD 3.29Å; T289-P458 WeakPolarHBondContact O-CD 3.38Å; T289-P458 VanDerWaalsContact O-CG 3.31Å; T289-P458 WeakPolarHBondContact O-CG 3.37Å; T289-L470 WeakPolarHBondContact OG1-CD2 3.4Å |
| 290 | F | 84.7 | Confident | 90.4 | Very high | 5 Ų | 5 | 29.3 Ų | 29.3 | 2% | 0.022 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -88.8 | -11.3 | -179.1 | -60.7 | -48.5 | 0 | 0 | 0 | 115.4 | V286 L287 R288 S292 A293 L294 M416 V418 F441 F455 P458 | V286-F290 HydrophobicContact CG1-CD2 3.88Å; V286-F290 HydrophobicContact CG1-CE2 3.32Å; V286-F290 HydrophobicContact CG1-CZ 4.18Å; V286-F290 VanDerWaalsContact O-CD2 3.23Å; V286-F290 WeakPolarHBondContact O-CD2 3.48Å; V286-F290 PolarHBondContact O-N 2.85Å; L287-F290 PolarHBondContact O-N 3.48Å; R288-F290 VanDerWaalsContact C-N 3.33Å; F290-S292 PolarHBondContact O-N 3.33Å; F290-S292 VanDerWaalsContact O-N 3.09Å; F290-A293 PolarHBondContact O-N 3.11Å; F290-L294 WeakPolarHBondContact CB-O 3.42Å; F290-L294 PolarHBondContact O-N 2.7Å; F290-M416 HydrophobicContact CB-CE 4.28Å; F290-M416 HydrophobicContact CD1-CE 3.97Å; F290-M416 HydrophobicContact CD2-CE 4.01Å; F290-M416 HydrophobicContact CD2-SD 4.42Å; F290-M416 HydrophobicContact CE1-CE 4.2Å; F290-M416 HydrophobicContact CE2-CE 4.21Å; F290-M416 HydrophobicContact CE2-SD 4.11Å; F290-M416 HydrophobicContact CG-CE 3.85Å; F290-M416 HydrophobicContact CZ-CE 4.29Å; F290-M416 HydrophobicContact CZ-SD 4.2Å; F290-V418 HydrophobicContact CZ-CG2 4.16Å; F290-F441 HydrophobicContact CD1-CD1 4.45Å; F290-F441 HydrophobicContact CD1-CD2 4.36Å; F290-F441 AromaticContact CD1-CE1 3.99Å; F290-F441 HydrophobicContact CD1-CE1 3.99Å; F290-F441 AromaticContact CD1-CE2 3.91Å; F290-F441 HydrophobicContact CD1-CE2 3.91Å; F290-F441 AromaticContact CD1-CZ 3.69Å; F290-F441 HydrophobicContact CD1-CZ 3.69Å; F290-F441 HydrophobicContact CE1-CB 4.38Å; F290-F441 AromaticContact CE1-CD1 3.74Å; F290-F441 HydrophobicContact CE1-CD1 3.74Å; F290-F441 AromaticContact CE1-CD2 3.47Å; F290-F441 HydrophobicContact CE1-CD2 3.47Å; F290-F441 VanDerWaalsContact CE1-CD2 3.47Å; F290-F441 AromaticContact CE1-CE1 3.71Å; F290-F441 HydrophobicContact CE1-CE1 3.71Å; F290-F441 AromaticContact CE1-CE2 3.47Å; F290-F441 HydrophobicContact CE1-CE2 3.47Å; F290-F441 VanDerWaalsContact CE1-CE2 3.47Å; F290-F441 AromaticContact CE1-CG 3.6Å; F290-F441 HydrophobicContact CE1-CG 3.6Å; F290-F441 AromaticContact CE1-CZ 3.58Å; F290-F441 HydrophobicContact CE1-CZ 3.58Å; F290-F441 HydrophobicContact CZ-CD2 4.03Å; F290-F441 HydrophobicContact CZ-CE2 4.31Å; F290-F441 HydrophobicContact CZ-CG 4.25Å; F290-F455 HydrophobicContact CE1-CD1 4.05Å; F290-F455 AromaticContact CE1-CE1 3.37Å; F290-F455 HydrophobicContact CE1-CE1 3.37Å; F290-F455 HydrophobicContact CE1-CZ 4.18Å; F290-F455 HydrophobicContact CE2-CE1 4.29Å; F290-F455 HydrophobicContact CE2-CZ 4.4Å; F290-F455 HydrophobicContact CZ-CD1 4.1Å; F290-F455 AromaticContact CZ-CE1 3.16Å; F290-F455 HydrophobicContact CZ-CE1 3.16Å; F290-F455 AromaticContact CZ-CZ 3.5Å; F290-F455 HydrophobicContact CZ-CZ 3.5Å; F290-F455 VanDerWaalsContact CZ-CZ 3.5Å; F290-P458 HydrophobicContact CD1-CG 4.48Å |
| 291 | E | 81 | Confident | 90.4 | Very high | 71 Ų | 71 | 29.1 Ų | 29.1 | 33% | 0.332 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -32.4 | -166.7 | -172.1 | 166.3 | -142.7 | 0 | 0 | 114.1 | R71 L287 R288 A293 V295 | R71-E291 IonicContact CZ-OE1 2.73Å; R71-E291 IonicContact NE-OE1 2.69Å; R71-E291 IonicContact NH2-OE1 2.85Å; R71-E291 PolarHBondContact NH2-OE1 3.25Å; L287-E291 PolarHBondContact O-N 2.86Å; R288-E291 WeakPolarHBondContact CD-OE2 3.14Å; R288-E291 IonicContact NH1-OE2 2.87Å; E291-A293 PolarHBondContact O-N 2.84Å; E291-V295 HydrophobicContact CG-CG2 4.49Å |
| 292 | S | 74 | Confident | 90.4 | Very high | 53 Ų | 53 | 29.1 Ų | 29.1 | 37% | 0.371 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -7.6 | 178.9 | 69.7 | 0 | 0 | 0 | 0 | 114.6 | R39 P41 F290 | R39-S292 PolarHBondContact O-OG 3.25Å; P41-S292 WeakPolarHBondContact CD-OG 3.4Å; F290-S292 PolarHBondContact O-N 3.33Å; F290-S292 VanDerWaalsContact O-N 3.09Å |
| 293 | A | 72.4 | Confident | 90.4 | Very high | 36 Ų | 36 | 29.1 Ų | 29.1 | 30% | 0.298 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -135.4 | -52.8 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | V38 F290 E291 P458 | V38-A293 HydrophobicContact CG1-CB 3.43Å; V38-A293 VanDerWaalsContact CG1-CB 3.43Å; F290-A293 PolarHBondContact O-N 3.11Å; E291-A293 PolarHBondContact O-N 2.84Å; A293-P458 HydrophobicContact CB-CB 3.41Å; A293-P458 VanDerWaalsContact CB-CB 3.41Å; A293-P458 HydrophobicContact CB-CG 3.84Å |
| 294 | L | 78.9 | Confident | 90.4 | Very high | 23 Ų | 23 | 28.9 Ų | 28.9 | 12% | 0.12 | 16% | 0.16 | C | C | . | . | trans | -144.7 | 88.9 | -168 | -72.4 | 153.3 | 0 | 0 | 0 | 109.8 | F290 R415 M416 Q439 F441 | F290-L294 WeakPolarHBondContact CB-O 3.42Å; F290-L294 PolarHBondContact O-N 2.7Å; L294-R415 HydrophobicContact CD2-CB 4.45Å; L294-R415 HydrophobicContact CD2-CG 4.21Å; L294-M416 HydrophobicContact CB-CE 3.37Å; L294-M416 HydrophobicContact CD1-CB 4.49Å; L294-M416 HydrophobicContact CD1-CE 3.9Å; L294-M416 HydrophobicContact CG-CE 4.22Å; L294-Q439 HydrophobicContact CD1-CB 3.86Å; L294-Q439 HydrophobicContact CD1-CG 3.83Å; L294-F441 HydrophobicContact CD1-CE2 4.1Å; L294-F441 HydrophobicContact CD1-CZ 4.19Å | ||
| 295 | V | 84.4 | Confident | 90.2 | Very high | 73 Ų | 73 | 29.5 Ų | 29.5 | 44% | 0.442 | 16% | 0.162 | S | C | . | . | trans | -83.6 | 128.8 | 171.8 | -177.6 | 0 | 0 | 0 | 0 | 108.9 | E291 R415 | E291-V295 HydrophobicContact CG-CG2 4.49Å; V295-R415 PolarHBondContact O-NH2 2.97Å | ||
| 296 | P | 90.9 | Very high | 90 | Very high | 14 Ų | 14 | 30.2 Ų | 30.2 | 9% | 0.091 | 17% | 0.166 | C | C | . | . | trans | -63 | 139.3 | 169.9 | -23.7 | 35.4 | 0 | 0 | 0 | 111.7 | L287 D300 V319 A323 | L287-P296 HydrophobicContact CD2-CG 3.99Å; P296-D300 VanDerWaalsContact CA-OD2 3.26Å; P296-D300 WeakPolarHBondContact CA-OD2 3.31Å; P296-V319 HydrophobicContact CG-CG1 3.97Å; P296-A323 HydrophobicContact CB-CB 3.7Å | ||
| 297 | T | 94.5 | Very high | 89.7 | Confident | 52 Ų | 52 | 32 Ų | 32 | 32% | 0.319 | 18% | 0.178 | S | C | . | . | trans | -128.4 | 164.6 | -179.1 | 74.6 | 0 | 0 | 0 | 0 | 110.7 | E299 D300 A325 | T297-E299 WeakPolarHBondContact CB-OE2 3.4Å; T297-E299 PolarHBondContact O-N 2.78Å; T297-E299 PolarHBondContact OG1-OE2 3.03Å; T297-D300 PolarHBondContact N-OD2 3.36Å; T297-D300 WeakPolarHBondContact O-CB 3.37Å; T297-D300 PolarHBondContact O-N 2.91Å; T297-A325 WeakPolarHBondContact O-CB 3.35Å | ||
| 298 | P | 97 | Very high | 89.7 | Confident | 43 Ų | 43 | 31.2 Ų | 31.2 | 28% | 0.279 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -20.2 | 177.7 | -29.5 | 38.5 | 0 | 0 | 0 | 115.5 | V88 D300 G324 | V88-P298 HydrophobicContact CG1-CG 3.93Å; P298-D300 VanDerWaalsContact C-N 3.32Å; P298-G324 WeakPolarHBondContact CA-O 3.42Å |
| 299 | E | 95.9 | Very high | 89.5 | Confident | 124 Ų | 124 | 28.8 Ų | 28.8 | 58% | 0.579 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -23.5 | 177.4 | -63.6 | 69 | -146.9 | 0 | 0 | 112.8 | T297 R326 | T297-E299 WeakPolarHBondContact CB-OE2 3.4Å; T297-E299 PolarHBondContact O-N 2.78Å; T297-E299 PolarHBondContact OG1-OE2 3.03Å; E299-R326 PolarHBondContact O-NH2 3.12Å; E299-R326 VanDerWaalsContact O-NH2 3.07Å |
| 300 | D | 97.5 | Very high | 89.3 | Confident | 4 Ų | 4 | 31.2 Ų | 31.2 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | trans | -65.4 | 152.4 | -177.4 | -75.5 | -59.9 | 0 | 0 | 0 | 112.8 | P296 T297 P298 A325 R326 T347 R415 | P296-D300 VanDerWaalsContact CA-OD2 3.26Å; P296-D300 WeakPolarHBondContact CA-OD2 3.31Å; T297-D300 PolarHBondContact N-OD2 3.36Å; T297-D300 WeakPolarHBondContact O-CB 3.37Å; T297-D300 PolarHBondContact O-N 2.91Å; P298-D300 VanDerWaalsContact C-N 3.32Å; D300-A325 HydrophobicContact CB-CB 3.96Å; D300-A325 WeakPolarHBondContact O-CB 3.08Å; D300-R326 PolarHBondContact O-N 3.32Å; D300-R326 VanDerWaalsContact O-N 3.17Å; D300-T347 VanDerWaalsContact CA-OG1 3.26Å; D300-T347 WeakPolarHBondContact CA-OG1 3.36Å; D300-T347 VanDerWaalsContact CB-OG1 3.31Å; D300-T347 WeakPolarHBondContact CB-OG1 3.24Å; D300-T347 VanDerWaalsContact OD1-CB 3.25Å; D300-T347 WeakPolarHBondContact OD1-CB 3.32Å; D300-T347 PolarHBondContact OD1-OG1 3.25Å; D300-R415 VanDerWaalsContact CG-NH2 3.25Å; D300-R415 IonicContact OD1-CZ 2.74Å; D300-R415 IonicContact OD1-NE 3.65Å; D300-R415 PolarHBondContact OD1-NE 3.37Å; D300-R415 IonicContact OD1-NH2 2.82Å; D300-R415 PolarHBondContact OD1-NH2 2.86Å; D300-R415 VanDerWaalsContact OD1-NH2 3.14Å; D300-R415 IonicContact OD2-CZ 2.97Å; D300-R415 IonicContact OD2-NE 2.68Å; D300-R415 IonicContact OD2-NH2 3.9Å; D300-R415 PolarHBondContact OD2-NH2 3.44Å | ||
| 301 | V | 98.1 | Very high | 89.8 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 128.6 | 174.7 | 48.1 | 0 | 0 | 0 | 0 | 110 | W106 R326 L344 P346 T347 V348 | W106-V301 HydrophobicContact CH2-CG2 3.99Å; V301-R326 VanDerWaalsContact CA-O 3.25Å; V301-R326 WeakPolarHBondContact CA-O 3.31Å; V301-R326 HydrophobicContact CB-CG 3.79Å; V301-R326 HydrophobicContact CG2-CG 3.96Å; V301-L344 HydrophobicContact CG2-CD1 3.56Å; V301-L344 HydrophobicContact CG2-CD2 4.08Å; V301-L344 HydrophobicContact CG2-CG 3.74Å; V301-P346 WeakPolarHBondContact O-CA 3.34Å; V301-T347 HydrophobicContact CG1-CG2 4.35Å; V301-T347 PolarHBondContact N-OG1 3.17Å; V301-T347 PolarHBondContact O-N 3.44Å; V301-T347 PolarHBondContact O-OG1 3.22Å; V301-V348 PolarHBondContact O-N 2.95Å |
| 302 | S | 98.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 146 | 171.4 | -170 | 0 | 0 | 0 | 0 | 110.4 | R326 V327 G328 V348 P350 | S302-R326 PolarHBondContact N-O 2.82Å; S302-V327 CarbonylContact O-C 3.53Å; S302-V327 WeakPolarHBondContact O-CA 3.5Å; S302-G328 PolarHBondContact O-N 3.27Å; S302-V348 WeakPolarHBondContact CA-O 3.39Å; S302-P350 WeakPolarHBondContact OG-CD 3.48Å |
| 303 | I | 97.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 138.7 | 166.7 | -167.4 | 160.1 | 0 | 0 | 0 | 110 | F305 G328 L337 D340 M341 L344 P346 F349 | I303-F305 HydrophobicContact CG2-CD1 4.12Å; I303-F305 HydrophobicContact CG2-CE1 4.41Å; I303-G328 CarbonylContact C-O 3.53Å; I303-G328 WeakPolarHBondContact CA-O 3.36Å; I303-L337 HydrophobicContact CD1-CD1 3.51Å; I303-L337 HydrophobicContact CG1-CD1 4.34Å; I303-D340 HydrophobicContact CD1-CB 3.94Å; I303-M341 HydrophobicContact CB-SD 4.23Å; I303-M341 HydrophobicContact CD1-CG 4.22Å; I303-M341 HydrophobicContact CD1-SD 3.53Å; I303-M341 VanDerWaalsContact CD1-SD 3.53Å; I303-M341 HydrophobicContact CG1-SD 4.44Å; I303-M341 HydrophobicContact CG2-SD 3.72Å; I303-L344 HydrophobicContact CB-CD2 3.66Å; I303-L344 HydrophobicContact CD1-CD2 4.11Å; I303-L344 HydrophobicContact CG1-CD2 3.83Å; I303-P346 HydrophobicContact CB-CB 4.41Å; I303-P346 HydrophobicContact CG2-CG 4.46Å; I303-F349 HydrophobicContact CG2-CD2 3.54Å; I303-F349 HydrophobicContact CG2-CE2 3.85Å |
| 304 | S | 96.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 112.2 | 174.1 | -171.8 | 0 | 0 | 0 | 0 | 111.1 | N142 E313 Q317 G328 F330 | N142-S304 PolarHBondContact ND2-OG 3.47Å; S304-E313 VanDerWaalsContact CA-OE1 3.26Å; S304-E313 WeakPolarHBondContact CA-OE1 3.48Å; S304-E313 WeakPolarHBondContact CB-OE1 3.5Å; S304-E313 PolarHBondContact OG-OE1 3.24Å; S304-Q317 PolarHBondContact OG-NE2 3.24Å; S304-G328 PolarHBondContact N-O 3.26Å; S304-F330 VanDerWaalsContact O-CD1 3.27Å; S304-F330 WeakPolarHBondContact O-CD1 3.37Å; S304-F330 PolarHBondContact O-N 2.73Å |
| 305 | F | 92.1 | Very high | 93.1 | Very high | 17 Ų | 17 | 24.3 Ų | 24.3 | 8% | 0.075 | 13% | 0.134 | C | C | . | . | trans | -144.7 | -18.8 | 175.6 | 77.1 | -76.9 | 0 | 0 | 0 | 112.7 | I303 F330 I334 L337 F349 P350 L355 | I303-F305 HydrophobicContact CG2-CD1 4.12Å; I303-F305 HydrophobicContact CG2-CE1 4.41Å; F305-F330 HydrophobicContact CB-CB 4.08Å; F305-F330 HydrophobicContact CB-CD1 4.16Å; F305-F330 HydrophobicContact CB-CD2 3.78Å; F305-F330 HydrophobicContact CB-CE2 4.23Å; F305-F330 HydrophobicContact CB-CG 3.74Å; F305-I334 HydrophobicContact CD2-CD1 3.72Å; F305-I334 HydrophobicContact CE2-CD1 4.25Å; F305-L337 HydrophobicContact CB-CD1 4.06Å; F305-L337 HydrophobicContact CD1-CD1 4.3Å; F305-L337 HydrophobicContact CD1-CD2 4.49Å; F305-L337 HydrophobicContact CD2-CD2 3.98Å; F305-L337 HydrophobicContact CE2-CD2 4.13Å; F305-L337 HydrophobicContact CG-CD1 4.06Å; F305-L337 HydrophobicContact CG-CD2 4.16Å; F305-L337 HydrophobicContact CZ-CD2 4.46Å; F305-F349 HydrophobicContact CD1-CE2 4.28Å; F305-F349 HydrophobicContact CE1-CD2 4.11Å; F305-F349 AromaticContact CE1-CE2 3.44Å; F305-F349 HydrophobicContact CE1-CE2 3.44Å; F305-F349 VanDerWaalsContact CE1-CE2 3.44Å; F305-F349 HydrophobicContact CE1-CZ 4.36Å; F305-F349 AromaticContact CZ-CE2 3.94Å; F305-F349 HydrophobicContact CZ-CE2 3.94Å; F305-F349 HydrophobicContact CZ-CZ 4.46Å; F305-P350 WeakPolarHBondContact CE1-O 3.39Å; F305-L355 HydrophobicContact CE2-CD2 4.04Å; F305-L355 HydrophobicContact CZ-CD2 3.94Å | ||
| 306 | L | 89.8 | Confident | 93.6 | Very high | 15 Ų | 15 | 21.6 Ų | 21.6 | 8% | 0.079 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -72.2 | 131.1 | 170.1 | -62.6 | -177.9 | 0 | 0 | 0 | 108.4 | N142 L308 F312 E313 P350 V352 | N142-L306 PolarHBondContact ND2-O 2.84Å; L306-L308 PolarHBondContact O-N 3.38Å; L306-F312 HydrophobicContact CD1-CD1 3.76Å; L306-F312 HydrophobicContact CD1-CE1 3.66Å; L306-F312 HydrophobicContact CD1-CZ 4.48Å; L306-E313 HydrophobicContact CB-CB 4.07Å; L306-E313 HydrophobicContact CB-CG 4.46Å; L306-E313 VanDerWaalsContact O-CG 3.31Å; L306-E313 WeakPolarHBondContact O-CG 3.41Å; L306-P350 HydrophobicContact CD1-CB 4Å; L306-V352 HydrophobicContact CD2-CG1 3.86Å; L306-V352 HydrophobicContact CD2-CG2 4.46Å |
| 307 | P | 88.1 | Confident | 93.9 | Very high | 51 Ų | 51 | 21 Ų | 21 | 33% | 0.331 | 11% | 0.114 | S | C | . | . | trans | -52.8 | 128.1 | -171.1 | -35.1 | 43 | 0 | 0 | 0 | 113.7 | N142 Y164 A309 H310 | N142-P307 WeakPolarHBondContact OD1-CA 3.41Å; Y164-P307 HydrophobicContact CE2-CB 3.6Å; Y164-P307 HydrophobicContact CE2-CG 4.35Å; Y164-P307 WeakPolarHBondContact OH-CB 3.42Å; Y164-P307 VanDerWaalsContact OH-CG 3.22Å; Y164-P307 WeakPolarHBondContact OH-CG 3.4Å; P307-A309 PolarHBondContact O-N 3.49Å; P307-A309 VanDerWaalsContact O-N 3.12Å; P307-H310 WeakPolarHBondContact O-CB 3.39Å; P307-H310 PolarHBondContact O-N 2.97Å | ||
| 308 | L | 91.3 | Very high | 94.1 | Very high | 3 Ų | 3 | 19.4 Ų | 19.4 | 2% | 0.016 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -16.1 | -178.8 | -71.7 | 165.9 | 0 | 0 | 0 | 113.8 | N142 W146 I147 L306 H310 E313 R314 Q317 F329 | N142-L308 HydrophobicContact CB-CD1 3.92Å; N142-L308 HydrophobicContact CB-CG 4.2Å; N142-L308 PolarHBondContact OD1-N 2.89Å; W146-L308 HydrophobicContact CB-CD1 3.82Å; W146-L308 HydrophobicContact CD2-CB 4.39Å; W146-L308 HydrophobicContact CD2-CD1 4.35Å; W146-L308 HydrophobicContact CG-CB 4.27Å; W146-L308 HydrophobicContact CG-CD1 3.52Å; I147-L308 HydrophobicContact CD1-CD1 4.28Å; I147-L308 HydrophobicContact CD1-CD2 4.29Å; L306-L308 PolarHBondContact O-N 3.38Å; L308-H310 PolarHBondContact O-N 3.39Å; L308-E313 HydrophobicContact CD2-CG 3.55Å; L308-E313 HydrophobicContact CG-CG 4.45Å; L308-R314 WeakPolarHBondContact O-CD 3.43Å; L308-R314 VanDerWaalsContact O-CG 3.26Å; L308-R314 WeakPolarHBondContact O-CG 3.24Å; L308-Q317 VanDerWaalsContact CD2-NE2 3.3Å; L308-F329 HydrophobicContact CD1-CE1 3.99Å |
| 309 | A | 86.6 | Confident | 94.1 | Very high | 19 Ų | 19 | 18 Ų | 18 | 16% | 0.157 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -13 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | P162 Y164 P307 | P162-A309 HydrophobicContact CB-CB 3.4Å; P162-A309 HydrophobicContact CG-CB 4.46Å; Y164-A309 HydrophobicContact CD2-CB 3.34Å; Y164-A309 HydrophobicContact CE2-CB 3.87Å; Y164-A309 HydrophobicContact CG-CB 4.32Å; P307-A309 PolarHBondContact O-N 3.49Å; P307-A309 VanDerWaalsContact O-N 3.12Å |
| 310 | H | 86.4 | Confident | 94.1 | Very high | 51 Ų | 51 | 12.2 Ų | 12.2 | 24% | 0.236 | 7% | 0.068 | C | C | . | . | S | Bend | trans | -96.4 | 131.7 | 175.6 | -167.9 | -80.3 | 0 | 0 | 0 | 111.1 | P307 L308 F312 E313 T659 | P307-H310 WeakPolarHBondContact O-CB 3.39Å; P307-H310 PolarHBondContact O-N 2.97Å; L308-H310 PolarHBondContact O-N 3.39Å; H310-F312 VanDerWaalsContact C-N 3.27Å; H310-F312 VanDerWaalsContact ND1-CB 3.33Å; H310-F312 WeakPolarHBondContact ND1-CB 3.46Å; H310-F312 PolarHBondContact ND1-N 3.39Å; H310-F312 PolarHBondContact O-N 2.91Å; H310-E313 PolarHBondContact O-N 2.86Å; H310-T659 WeakPolarHBondContact CD2-CG2 3.28Å; H310-T659 WeakPolarHBondContact NE2-CG2 3.32Å |
| 311 | M | 93.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 12.3 Ų | 12.3 | 1% | 0.005 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -62.4 | -29.2 | -172.8 | -73.9 | -59.6 | -54.3 | 0 | 0 | 115.1 | I258 L274 V279 E313 R314 I315 T447 A450 A451 | I258-M311 HydrophobicContact CG2-SD 4.38Å; L274-M311 HydrophobicContact CD1-CE 3.7Å; L274-M311 HydrophobicContact CD1-CG 3.92Å; L274-M311 HydrophobicContact CD1-SD 3.57Å; L274-M311 VanDerWaalsContact CD1-SD 3.57Å; V279-M311 HydrophobicContact CG1-CE 4.35Å; V279-M311 HydrophobicContact CG2-CE 3.98Å; M311-E313 PolarHBondContact O-N 3.45Å; M311-R314 WeakPolarHBondContact O-CB 3.19Å; M311-R314 PolarHBondContact O-N 3.01Å; M311-R314 VanDerWaalsContact O-N 3.1Å; M311-R314 PolarHBondContact SD-NH1 3.49Å; M311-I315 HydrophobicContact CE-CD1 4.45Å; M311-I315 HydrophobicContact CE-CG1 4.4Å; M311-I315 PolarHBondContact O-N 3.43Å; M311-T447 HydrophobicContact CG-CG2 3.93Å; M311-A450 WeakPolarHBondContact CB-O 3.45Å; M311-A450 HydrophobicContact CE-CB 4.4Å; M311-A450 WeakPolarHBondContact CG-O 3.42Å; M311-A451 HydrophobicContact CB-CB 4.03Å |
| 312 | F | 91.6 | Very high | 94.1 | Very high | 28 Ų | 28 | 12.5 Ų | 12.5 | 12% | 0.123 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -53.4 | -51.5 | 177.1 | 178.1 | -153.8 | 0 | 0 | 0 | 112.7 | L306 H310 R314 I315 V316 P350 V418 | L306-F312 HydrophobicContact CD1-CD1 3.76Å; L306-F312 HydrophobicContact CD1-CE1 3.66Å; L306-F312 HydrophobicContact CD1-CZ 4.48Å; H310-F312 VanDerWaalsContact C-N 3.27Å; H310-F312 VanDerWaalsContact ND1-CB 3.33Å; H310-F312 WeakPolarHBondContact ND1-CB 3.46Å; H310-F312 PolarHBondContact ND1-N 3.39Å; H310-F312 PolarHBondContact O-N 2.91Å; F312-R314 VanDerWaalsContact C-N 3.27Å; F312-R314 PolarHBondContact O-N 2.94Å; F312-I315 PolarHBondContact O-N 3.37Å; F312-V316 HydrophobicContact CD2-CG2 4.07Å; F312-V316 HydrophobicContact CE2-CG2 3.74Å; F312-V316 WeakPolarHBondContact O-CG2 3.43Å; F312-V316 PolarHBondContact O-N 3.08Å; F312-P350 HydrophobicContact CZ-CB 4.2Å; F312-V418 HydrophobicContact CE2-CB 4.28Å; F312-V418 HydrophobicContact CE2-CG1 3.64Å; F312-V418 HydrophobicContact CZ-CB 4.19Å; F312-V418 HydrophobicContact CZ-CG1 3.78Å |
| 313 | E | 93.3 | Very high | 94 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -61.8 | -39.2 | 177.7 | 178.5 | 69.9 | -176 | 0 | 0 | 111 | S304 L306 L308 H310 M311 I315 V316 Q317 | S304-E313 VanDerWaalsContact CA-OE1 3.26Å; S304-E313 WeakPolarHBondContact CA-OE1 3.48Å; S304-E313 WeakPolarHBondContact CB-OE1 3.5Å; S304-E313 PolarHBondContact OG-OE1 3.24Å; L306-E313 HydrophobicContact CB-CB 4.07Å; L306-E313 HydrophobicContact CB-CG 4.46Å; L306-E313 VanDerWaalsContact O-CG 3.31Å; L306-E313 WeakPolarHBondContact O-CG 3.41Å; L308-E313 HydrophobicContact CD2-CG 3.55Å; L308-E313 HydrophobicContact CG-CG 4.45Å; H310-E313 PolarHBondContact O-N 2.86Å; M311-E313 PolarHBondContact O-N 3.45Å; E313-I315 PolarHBondContact O-N 3.1Å; E313-V316 PolarHBondContact O-N 3.36Å; E313-Q317 HydrophobicContact CG-CG 4.45Å; E313-Q317 WeakPolarHBondContact O-CG 3.45Å; E313-Q317 PolarHBondContact O-N 2.81Å; E313-Q317 PolarHBondContact OE1-NE2 3.11Å |
| 314 | R | 95 | Very high | 94 | Very high | 7 Ų | 7 | 13 Ų | 13 | 3% | 0.026 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -66.3 | -39 | -177.2 | -61.7 | -176.2 | 67 | -137.1 | 0.1 | 112.8 | E150 Y154 I258 L308 M311 F312 Q317 T318 | E150-R314 IonicContact OE1-CZ 2.74Å; E150-R314 IonicContact OE1-NE 3.57Å; E150-R314 PolarHBondContact OE1-NE 3.24Å; E150-R314 VanDerWaalsContact OE1-NE 3.12Å; E150-R314 IonicContact OE1-NH2 3.43Å; E150-R314 PolarHBondContact OE1-NH2 3.43Å; Y154-R314 PolarHBondContact OH-NH2 2.95Å; I258-R314 VanDerWaalsContact CD1-NH2 3.34Å; I258-R314 VanDerWaalsContact CG1-NH1 3.25Å; L308-R314 WeakPolarHBondContact O-CD 3.43Å; L308-R314 VanDerWaalsContact O-CG 3.26Å; L308-R314 WeakPolarHBondContact O-CG 3.24Å; M311-R314 WeakPolarHBondContact O-CB 3.19Å; M311-R314 PolarHBondContact O-N 3.01Å; M311-R314 VanDerWaalsContact O-N 3.1Å; M311-R314 PolarHBondContact SD-NH1 3.49Å; F312-R314 VanDerWaalsContact C-N 3.27Å; F312-R314 PolarHBondContact O-N 2.94Å; R314-Q317 PolarHBondContact O-N 3.28Å; R314-T318 WeakPolarHBondContact O-CB 3.48Å; R314-T318 PolarHBondContact O-N 2.74Å; R314-T318 PolarHBondContact O-OG1 3.21Å |
| 315 | I | 96.4 | Very high | 94.1 | Very high | 7 Ų | 7 | 13 Ų | 13 | 4% | 0.036 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -66.7 | -42.6 | 174.9 | -68.2 | -64.9 | 0 | 0 | 0 | 110.7 | V279 D282 V286 M311 F312 E313 Q317 T318 V319 A450 A451 | V279-I315 HydrophobicContact CB-CD1 4.34Å; V279-I315 HydrophobicContact CG1-CD1 3.48Å; V279-I315 VanDerWaalsContact CG1-CD1 3.48Å; V279-I315 WeakPolarHBondContact O-CD1 3.41Å; D282-I315 HydrophobicContact CB-CD1 3.91Å; D282-I315 WeakPolarHBondContact OD1-CG1 3.3Å; V286-I315 HydrophobicContact CG2-CG2 4.48Å; M311-I315 HydrophobicContact CE-CD1 4.45Å; M311-I315 HydrophobicContact CE-CG1 4.4Å; M311-I315 PolarHBondContact O-N 3.43Å; F312-I315 PolarHBondContact O-N 3.37Å; E313-I315 PolarHBondContact O-N 3.1Å; I315-Q317 VanDerWaalsContact C-N 3.34Å; I315-Q317 PolarHBondContact O-N 2.88Å; I315-T318 PolarHBondContact O-N 3.42Å; I315-V319 WeakPolarHBondContact O-CG2 3.37Å; I315-V319 PolarHBondContact O-N 3.35Å; I315-A450 HydrophobicContact CD1-CB 4.46Å; I315-A451 HydrophobicContact CB-CB 4.15Å; I315-A451 HydrophobicContact CG1-CB 3.57Å |
| 316 | V | 95.7 | Very high | 94.4 | Very high | 16 Ų | 16 | 15 Ų | 15 | 10% | 0.097 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -58.3 | -48.4 | 174.5 | 173.9 | 0 | 0 | 0 | 0 | 110.4 | F312 E313 T318 V319 I320 P350 | F312-V316 HydrophobicContact CD2-CG2 4.07Å; F312-V316 HydrophobicContact CE2-CG2 3.74Å; F312-V316 WeakPolarHBondContact O-CG2 3.43Å; F312-V316 PolarHBondContact O-N 3.08Å; E313-V316 PolarHBondContact O-N 3.36Å; V316-T318 PolarHBondContact O-N 2.82Å; V316-V319 WeakPolarHBondContact O-CB 3.47Å; V316-V319 PolarHBondContact O-N 3.18Å; V316-I320 HydrophobicContact CG1-CG1 4.4Å; V316-I320 VanDerWaalsContact O-CG1 3.29Å; V316-I320 WeakPolarHBondContact O-CG1 3.03Å; V316-I320 PolarHBondContact O-N 2.83Å; V316-P350 HydrophobicContact CG1-CB 4.21Å; V316-P350 HydrophobicContact CG1-CG 4.14Å; V316-P350 HydrophobicContact CG2-CB 4.09Å |
| 317 | Q | 97.1 | Very high | 94.8 | Very high | 3 Ų | 3 | 14.3 Ų | 14.3 | 1% | 0.014 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -65.3 | -38.1 | 178.4 | -70.7 | -165.9 | 10 | 0 | 0 | 113.2 | S304 L308 E313 R314 I315 V319 I320 Y321 V327 | S304-Q317 PolarHBondContact OG-NE2 3.24Å; L308-Q317 VanDerWaalsContact CD2-NE2 3.3Å; E313-Q317 HydrophobicContact CG-CG 4.45Å; E313-Q317 WeakPolarHBondContact O-CG 3.45Å; E313-Q317 PolarHBondContact O-N 2.81Å; E313-Q317 PolarHBondContact OE1-NE2 3.11Å; R314-Q317 PolarHBondContact O-N 3.28Å; I315-Q317 VanDerWaalsContact C-N 3.34Å; I315-Q317 PolarHBondContact O-N 2.88Å; Q317-V319 VanDerWaalsContact C-N 3.28Å; Q317-V319 PolarHBondContact O-N 3.39Å; Q317-I320 PolarHBondContact O-N 2.89Å; Q317-I320 VanDerWaalsContact O-N 3.17Å; Q317-Y321 HydrophobicContact CB-CD2 4.18Å; Q317-Y321 HydrophobicContact CB-CE2 3.68Å; Q317-Y321 HydrophobicContact CG-CE2 4.48Å; Q317-Y321 WeakPolarHBondContact O-CB 3.21Å; Q317-Y321 WeakPolarHBondContact O-CD2 3.36Å; Q317-Y321 VanDerWaalsContact O-CG 3.24Å; Q317-Y321 PolarHBondContact O-N 2.98Å; Q317-Y321 PolarHBondContact OE1-OH 3.3Å; Q317-Y321 VanDerWaalsContact OE1-OH 3.05Å; Q317-V327 HydrophobicContact CG-CG2 4.13Å |
| 318 | T | 97.4 | Very high | 95.3 | Very high | 18 Ų | 18 | 11.9 Ų | 11.9 | 11% | 0.11 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -57.4 | -43.4 | 174.4 | -60.6 | 0 | 0 | 0 | 0 | 110.9 | L78 V81 A283 R314 I315 V316 G322 | L78-T318 HydrophobicContact CD2-CG2 3.64Å; V81-T318 HydrophobicContact CG1-CG2 4Å; V81-T318 WeakPolarHBondContact CG1-O 3.49Å; A283-T318 HydrophobicContact CB-CG2 3.74Å; R314-T318 WeakPolarHBondContact O-CB 3.48Å; R314-T318 PolarHBondContact O-N 2.74Å; R314-T318 PolarHBondContact O-OG1 3.21Å; I315-T318 PolarHBondContact O-N 3.42Å; V316-T318 PolarHBondContact O-N 2.82Å; T318-G322 PolarHBondContact O-N 3.01Å |
| 319 | V | 96.5 | Very high | 95.6 | Very high | 12 Ų | 12 | 11.9 Ų | 11.9 | 7% | 0.073 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -63.9 | -47.1 | 174.9 | 170 | 0 | 0 | 0 | 0 | 111.6 | A283 L287 P296 I315 V316 Q317 G322 A323 | A283-V319 HydrophobicContact CB-CG2 3.8Å; L287-V319 HydrophobicContact CD1-CG1 4.35Å; L287-V319 HydrophobicContact CD2-CG1 3.6Å; L287-V319 HydrophobicContact CG-CG1 3.82Å; L287-V319 HydrophobicContact CG-CG2 4.14Å; P296-V319 HydrophobicContact CG-CG1 3.97Å; I315-V319 WeakPolarHBondContact O-CG2 3.37Å; I315-V319 PolarHBondContact O-N 3.35Å; V316-V319 WeakPolarHBondContact O-CB 3.47Å; V316-V319 PolarHBondContact O-N 3.18Å; Q317-V319 VanDerWaalsContact C-N 3.28Å; Q317-V319 PolarHBondContact O-N 3.39Å; V319-G322 PolarHBondContact O-N 3.13Å; V319-A323 WeakPolarHBondContact O-CB 3.41Å; V319-A323 PolarHBondContact O-N 3.43Å; V319-A323 VanDerWaalsContact O-N 3.13Å |
| 320 | I | 97.7 | Very high | 96 | Very high | 3 Ų | 3 | 12.1 Ų | 12.1 | 2% | 0.015 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -61.6 | -45.3 | 179.6 | -66.3 | -62.3 | 0 | 0 | 0 | 111.1 | V316 Q317 A323 G324 A325 V327 V348 | V316-I320 HydrophobicContact CG1-CG1 4.4Å; V316-I320 VanDerWaalsContact O-CG1 3.29Å; V316-I320 WeakPolarHBondContact O-CG1 3.03Å; V316-I320 PolarHBondContact O-N 2.83Å; Q317-I320 PolarHBondContact O-N 2.89Å; Q317-I320 VanDerWaalsContact O-N 3.17Å; I320-A323 PolarHBondContact O-N 2.82Å; I320-G324 PolarHBondContact O-N 3.33Å; I320-A325 HydrophobicContact CG2-CB 3.69Å; I320-A325 WeakPolarHBondContact O-CB 3.45Å; I320-A325 PolarHBondContact O-N 3.12Å; I320-A325 VanDerWaalsContact O-N 3.09Å; I320-V327 HydrophobicContact CB-CG2 4.3Å; I320-V327 HydrophobicContact CG2-CG2 3.62Å; I320-V348 HydrophobicContact CD1-CB 4.22Å; I320-V348 HydrophobicContact CD1-CG1 4.36Å; I320-V348 HydrophobicContact CD1-CG2 4.04Å |
| 321 | Y | 97.9 | Very high | 96.3 | Very high | 7 Ų | 7 | 11.5 Ų | 11.5 | 3% | 0.027 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -66.4 | -43.6 | 178.9 | -61.8 | -40.6 | 0 | 0 | 0 | 112.3 | F82 G85 L95 Y109 I147 Q317 A323 G324 V327 | F82-Y321 HydrophobicContact CD2-CD2 4.38Å; F82-Y321 HydrophobicContact CD2-CG 4.17Å; F82-Y321 HydrophobicContact CE2-CD1 4.33Å; F82-Y321 HydrophobicContact CE2-CG 4.28Å; G85-Y321 WeakPolarHBondContact CA-O 3.36Å; L95-Y321 HydrophobicContact CD2-CE1 3.76Å; L95-Y321 WeakPolarHBondContact CD2-OH 3.09Å; Y109-Y321 HydrophobicContact CE1-CD1 4.36Å; Y109-Y321 WeakPolarHBondContact OH-CA 3.45Å; Y109-Y321 PolarHBondContact OH-O 2.85Å; I147-Y321 HydrophobicContact CD1-CE2 4.46Å; I147-Y321 HydrophobicContact CG2-CE2 4.1Å; Q317-Y321 HydrophobicContact CB-CD2 4.18Å; Q317-Y321 HydrophobicContact CB-CE2 3.68Å; Q317-Y321 HydrophobicContact CG-CE2 4.48Å; Q317-Y321 WeakPolarHBondContact O-CB 3.21Å; Q317-Y321 WeakPolarHBondContact O-CD2 3.36Å; Q317-Y321 VanDerWaalsContact O-CG 3.24Å; Q317-Y321 PolarHBondContact O-N 2.98Å; Q317-Y321 PolarHBondContact OE1-OH 3.3Å; Q317-Y321 VanDerWaalsContact OE1-OH 3.05Å; Y321-A323 PolarHBondContact O-N 2.69Å; Y321-G324 PolarHBondContact O-N 3.19Å; Y321-V327 HydrophobicContact CD1-CG2 4.43Å; Y321-V327 HydrophobicContact CE1-CB 4.22Å; Y321-V327 HydrophobicContact CE1-CG2 3.59Å |
| 322 | G | 96.8 | Very high | 96 | Very high | 4 Ų | 4 | 12.9 Ų | 12.9 | 4% | 0.041 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -62.7 | -23.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | T318 V319 | T318-G322 PolarHBondContact O-N 3.01Å; V319-G322 PolarHBondContact O-N 3.13Å |
| 323 | A | 95.9 | Very high | 95.7 | Very high | 8 Ų | 8 | 13.5 Ų | 13.5 | 7% | 0.066 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -4.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114 | V88 P296 V319 I320 Y321 A325 | V88-A323 WeakPolarHBondContact CG1-O 3.34Å; P296-A323 HydrophobicContact CB-CB 3.7Å; V319-A323 WeakPolarHBondContact O-CB 3.41Å; V319-A323 PolarHBondContact O-N 3.43Å; V319-A323 VanDerWaalsContact O-N 3.13Å; I320-A323 PolarHBondContact O-N 2.82Å; Y321-A323 PolarHBondContact O-N 2.69Å; A323-A325 PolarHBondContact O-N 3.11Å |
| 324 | G | 97.6 | Very high | 95.2 | Very high | 2 Ų | 2 | 17.5 Ų | 17.5 | 2% | 0.021 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72 | 14.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | S89 Y109 P298 I320 Y321 | S89-G324 VanDerWaalsContact CB-O 3.24Å; S89-G324 WeakPolarHBondContact CB-O 3.44Å; Y109-G324 VanDerWaalsContact OH-C 3.3Å; Y109-G324 WeakPolarHBondContact OH-CA 3.34Å; P298-G324 WeakPolarHBondContact CA-O 3.42Å; I320-G324 PolarHBondContact O-N 3.33Å; Y321-G324 PolarHBondContact O-N 3.19Å |
| 325 | A | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | trans | -79.7 | -169.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111 | Y109 T297 D300 I320 A323 | Y109-A325 WeakPolarHBondContact CE2-O 3.48Å; Y109-A325 VanDerWaalsContact CZ-O 3.32Å; Y109-A325 PolarHBondContact OH-N 3.2Å; Y109-A325 PolarHBondContact OH-O 3.1Å; T297-A325 WeakPolarHBondContact O-CB 3.35Å; D300-A325 HydrophobicContact CB-CB 3.96Å; D300-A325 WeakPolarHBondContact O-CB 3.08Å; I320-A325 HydrophobicContact CG2-CB 3.69Å; I320-A325 WeakPolarHBondContact O-CB 3.45Å; I320-A325 PolarHBondContact O-N 3.12Å; I320-A325 VanDerWaalsContact O-N 3.09Å; A323-A325 PolarHBondContact O-N 3.11Å | ||
| 326 | R | 98.4 | Very high | 94.4 | Very high | 60 Ų | 60 | 29.3 Ų | 29.3 | 23% | 0.226 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 152.9 | -175.9 | 68.7 | -162.9 | 148.6 | -159.8 | -12.6 | 113.4 | P93 C94 W106 E299 D300 V301 S302 | P93-R326 HydrophobicContact CB-CB 4.48Å; P93-R326 WeakPolarHBondContact O-CB 3.23Å; C94-R326 WeakPolarHBondContact O-CA 3.27Å; W106-R326 HydrophobicContact CE3-CB 4.11Å; W106-R326 HydrophobicContact CE3-CG 4.31Å; W106-R326 HydrophobicContact CH2-CB 4.15Å; W106-R326 HydrophobicContact CH2-CG 3.63Å; W106-R326 HydrophobicContact CZ2-CG 4.44Å; W106-R326 HydrophobicContact CZ3-CB 3.53Å; W106-R326 HydrophobicContact CZ3-CG 3.55Å; E299-R326 PolarHBondContact O-NH2 3.12Å; E299-R326 VanDerWaalsContact O-NH2 3.07Å; D300-R326 PolarHBondContact O-N 3.32Å; D300-R326 VanDerWaalsContact O-N 3.17Å; V301-R326 VanDerWaalsContact CA-O 3.25Å; V301-R326 WeakPolarHBondContact CA-O 3.31Å; V301-R326 HydrophobicContact CB-CG 3.79Å; V301-R326 HydrophobicContact CG2-CG 3.96Å; S302-R326 PolarHBondContact N-O 2.82Å |
| 327 | V | 98.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 122.1 | 179.6 | 179.1 | 0 | 0 | 0 | 0 | 109.5 | C94 G96 W106 S302 Q317 I320 Y321 F329 | C94-V327 PolarHBondContact O-N 3.49Å; G96-V327 PolarHBondContact N-O 2.99Å; W106-V327 WeakPolarHBondContact CZ3-O 3.46Å; S302-V327 CarbonylContact O-C 3.53Å; S302-V327 WeakPolarHBondContact O-CA 3.5Å; Q317-V327 HydrophobicContact CG-CG2 4.13Å; I320-V327 HydrophobicContact CB-CG2 4.3Å; I320-V327 HydrophobicContact CG2-CG2 3.62Å; Y321-V327 HydrophobicContact CD1-CG2 4.43Å; Y321-V327 HydrophobicContact CE1-CB 4.22Å; Y321-V327 HydrophobicContact CE1-CG2 3.59Å; V327-F329 HydrophobicContact CG1-CE1 4.5Å; V327-F329 HydrophobicContact CG1-CE2 4.39Å; V327-F329 HydrophobicContact CG1-CZ 4.22Å |
| 328 | G | 98.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 121.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | G96 S302 I303 S304 | G96-G328 CarbonylContact O-C 3.47Å; G96-G328 WeakPolarHBondContact O-CA 3.24Å; S302-G328 PolarHBondContact O-N 3.27Å; I303-G328 CarbonylContact C-O 3.53Å; I303-G328 WeakPolarHBondContact CA-O 3.36Å; S304-G328 PolarHBondContact N-O 3.26Å |
| 329 | F | 97.9 | Very high | 93.6 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 1% | 0.013 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 137 | 175.2 | -66 | -80.5 | 0 | 0 | 0 | 110.8 | L95 G96 Y104 N142 P144 I147 L308 V327 | L95-F329 HydrophobicContact CB-CE2 4.12Å; L95-F329 HydrophobicContact CD2-CE2 3.96Å; L95-F329 HydrophobicContact CD2-CZ 4.31Å; L95-F329 HydrophobicContact CG-CE2 4.49Å; G96-F329 VanDerWaalsContact O-CD2 3.27Å; G96-F329 WeakPolarHBondContact O-CD2 3.44Å; G96-F329 PolarHBondContact O-N 2.96Å; Y104-F329 VanDerWaalsContact CE1-O 3.23Å; Y104-F329 WeakPolarHBondContact CE1-O 3.32Å; Y104-F329 PolarHBondContact OH-O 2.88Å; N142-F329 HydrophobicContact CB-CD1 3.86Å; N142-F329 HydrophobicContact CB-CE1 4.28Å; P144-F329 HydrophobicContact CB-CE2 4.38Å; P144-F329 HydrophobicContact CG-CD2 3.76Å; P144-F329 HydrophobicContact CG-CE2 4.07Å; I147-F329 HydrophobicContact CG1-CZ 3.78Å; L308-F329 HydrophobicContact CD1-CE1 3.99Å; V327-F329 HydrophobicContact CG1-CE1 4.5Å; V327-F329 HydrophobicContact CG1-CE2 4.39Å; V327-F329 HydrophobicContact CG1-CZ 4.22Å |
| 330 | F | 95.1 | Very high | 93.6 | Very high | 25 Ų | 25 | 33.8 Ų | 33.8 | 11% | 0.11 | 17% | 0.17 | C | C | . | . | P | Polyproline II helix | trans | -67.5 | 167.2 | 170.5 | 83.5 | -40.2 | 0 | 0 | 0 | 111.5 | N142 S304 F305 G332 L337 D340 | N142-F330 HydrophobicContact CB-CD1 4.4Å; N142-F330 HydrophobicContact CB-CE1 4.03Å; S304-F330 VanDerWaalsContact O-CD1 3.27Å; S304-F330 WeakPolarHBondContact O-CD1 3.37Å; S304-F330 PolarHBondContact O-N 2.73Å; F305-F330 HydrophobicContact CB-CB 4.08Å; F305-F330 HydrophobicContact CB-CD1 4.16Å; F305-F330 HydrophobicContact CB-CD2 3.78Å; F305-F330 HydrophobicContact CB-CE2 4.23Å; F305-F330 HydrophobicContact CB-CG 3.74Å; F330-G332 VanDerWaalsContact CE2-C 3.49Å; F330-G332 VanDerWaalsContact CZ-CA 3.44Å; F330-G332 PolarHBondContact O-N 2.66Å; F330-G332 VanDerWaalsContact O-N 3.12Å; F330-L337 HydrophobicContact CB-CD1 4.3Å; F330-D340 WeakPolarHBondContact CA-OD2 3.27Å; F330-D340 WeakPolarHBondContact CB-OD2 3.49Å |
| 331 | Q | 93 | Very high | 93.4 | Very high | 38 Ų | 38 | 33.8 Ų | 33.8 | 18% | 0.178 | 17% | 0.17 | C | C | . | . | trans | -75.6 | 8.2 | -176.4 | -70.2 | 174.7 | -142.2 | 0 | 0 | 115.3 | R98 P100 D333 L336 D340 | R98-Q331 HydrophobicContact CG-CG 3.91Å; R98-Q331 VanDerWaalsContact CZ-OE1 3.29Å; R98-Q331 VanDerWaalsContact NH1-OE1 3.15Å; P100-Q331 VanDerWaalsContact CG-NE2 3.31Å; Q331-D333 VanDerWaalsContact C-N 3.31Å; Q331-D333 PolarHBondContact O-N 2.76Å; Q331-L336 HydrophobicContact CB-CD1 4.45Å; Q331-D340 WeakPolarHBondContact CG-OD1 3.35Å; Q331-D340 PolarHBondContact N-OD2 2.75Å; Q331-D340 PolarHBondContact OE1-OD1 3.33Å | ||
| 332 | G | 86.9 | Confident | 93.3 | Very high | 29 Ų | 29 | 39.2 Ų | 39.2 | 30% | 0.299 | 19% | 0.194 | S | C | . | . | S | Bend | trans | 88.3 | -13.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | F330 | F330-G332 VanDerWaalsContact CE2-C 3.49Å; F330-G332 VanDerWaalsContact CZ-CA 3.44Å; F330-G332 PolarHBondContact O-N 2.66Å; F330-G332 VanDerWaalsContact O-N 3.12Å |
| 333 | D | 85.7 | Confident | 93.3 | Very high | 42 Ų | 42 | 43 Ų | 43 | 23% | 0.225 | 21% | 0.213 | C | C | . | . | trans | -115.6 | 117.4 | 177.9 | -173.5 | -15.8 | 0 | 0 | 0 | 111.1 | Q331 R335 L336 | Q331-D333 VanDerWaalsContact C-N 3.31Å; Q331-D333 PolarHBondContact O-N 2.76Å; D333-R335 PolarHBondContact O-N 3.31Å; D333-R335 VanDerWaalsContact O-N 3.15Å; D333-R335 VanDerWaalsContact OD1-CB 3.26Å; D333-R335 WeakPolarHBondContact OD1-CB 3.42Å; D333-R335 WeakPolarHBondContact OD1-CG 3.46Å; D333-R335 IonicContact OD1-CZ 3.61Å; D333-R335 PolarHBondContact OD1-N 3.34Å; D333-R335 IonicContact OD1-NE 2.75Å; D333-R335 PolarHBondContact OD1-NE 3.21Å; D333-R335 IonicContact OD1-NH2 3.58Å; D333-R335 IonicContact OD2-CZ 2.69Å; D333-R335 VanDerWaalsContact OD2-CZ 3.23Å; D333-R335 IonicContact OD2-NE 2.66Å; D333-R335 PolarHBondContact OD2-NE 3.39Å; D333-R335 IonicContact OD2-NH2 2.76Å; D333-R335 PolarHBondContact OD2-NH2 2.94Å; D333-L336 HydrophobicContact CB-CD1 4.1Å; D333-L336 HydrophobicContact CB-CG 4.14Å; D333-L336 WeakPolarHBondContact O-CB 3.42Å; D333-L336 PolarHBondContact O-N 3.29Å | ||
| 334 | I | 82.9 | Confident | 93.3 | Very high | 84 Ų | 84 | 43.1 Ų | 43.1 | 43% | 0.431 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -60.3 | -25.4 | -179.7 | -164 | 63.8 | 0 | 0 | 0 | 113.2 | F305 L336 L337 | F305-I334 HydrophobicContact CD2-CD1 3.72Å; F305-I334 HydrophobicContact CE2-CD1 4.25Å; I334-L336 PolarHBondContact O-N 2.88Å; I334-L337 HydrophobicContact CD1-CB 4.22Å; I334-L337 HydrophobicContact CD1-CD2 3.71Å; I334-L337 VanDerWaalsContact O-CB 3.23Å; I334-L337 WeakPolarHBondContact O-CB 3.29Å; I334-L337 PolarHBondContact O-N 2.57Å |
| 335 | R | 83.9 | Confident | 93.3 | Very high | 196 Ų | 196 | 47.2 Ų | 47.2 | 74% | 0.74 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -67.8 | -26 | 176.6 | -60.1 | 172.9 | -66.5 | -174.2 | 1.8 | 111.8 | D333 | D333-R335 PolarHBondContact O-N 3.31Å; D333-R335 VanDerWaalsContact O-N 3.15Å; D333-R335 VanDerWaalsContact OD1-CB 3.26Å; D333-R335 WeakPolarHBondContact OD1-CB 3.42Å; D333-R335 WeakPolarHBondContact OD1-CG 3.46Å; D333-R335 IonicContact OD1-CZ 3.61Å; D333-R335 PolarHBondContact OD1-N 3.34Å; D333-R335 IonicContact OD1-NE 2.75Å; D333-R335 PolarHBondContact OD1-NE 3.21Å; D333-R335 IonicContact OD1-NH2 3.58Å; D333-R335 IonicContact OD2-CZ 2.69Å; D333-R335 VanDerWaalsContact OD2-CZ 3.23Å; D333-R335 IonicContact OD2-NE 2.66Å; D333-R335 PolarHBondContact OD2-NE 3.39Å; D333-R335 IonicContact OD2-NH2 2.76Å; D333-R335 PolarHBondContact OD2-NH2 2.94Å |
| 336 | L | 90.1 | Very high | 93.3 | Very high | 66 Ų | 66 | 47.2 Ų | 47.2 | 35% | 0.346 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -90.5 | -5.2 | 177.5 | -58.5 | 179.7 | 0 | 0 | 0 | 112.8 | Q331 D333 I334 P338 D339 D340 | Q331-L336 HydrophobicContact CB-CD1 4.45Å; D333-L336 HydrophobicContact CB-CD1 4.1Å; D333-L336 HydrophobicContact CB-CG 4.14Å; D333-L336 WeakPolarHBondContact O-CB 3.42Å; D333-L336 PolarHBondContact O-N 3.29Å; I334-L336 PolarHBondContact O-N 2.88Å; L336-P338 VanDerWaalsContact C-CD 3.45Å; L336-P338 VanDerWaalsContact C-N 3.31Å; L336-D339 WeakPolarHBondContact O-CA 3.36Å; L336-D339 VanDerWaalsContact O-CB 3.32Å; L336-D339 WeakPolarHBondContact O-CB 3.43Å; L336-D339 PolarHBondContact O-N 3.08Å; L336-D340 PolarHBondContact O-N 2.84Å; L336-D340 VanDerWaalsContact O-N 3.09Å |
| 337 | L | 90.5 | Very high | 93.2 | Very high | 9 Ų | 9 | 45 Ų | 45 | 5% | 0.047 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -52.1 | -41.7 | 179 | -175.6 | 66.9 | 0 | 0 | 0 | 113.2 | I303 F305 F330 I334 D339 D340 M341 L355 | I303-L337 HydrophobicContact CD1-CD1 3.51Å; I303-L337 HydrophobicContact CG1-CD1 4.34Å; F305-L337 HydrophobicContact CB-CD1 4.06Å; F305-L337 HydrophobicContact CD1-CD1 4.3Å; F305-L337 HydrophobicContact CD1-CD2 4.49Å; F305-L337 HydrophobicContact CD2-CD2 3.98Å; F305-L337 HydrophobicContact CE2-CD2 4.13Å; F305-L337 HydrophobicContact CG-CD1 4.06Å; F305-L337 HydrophobicContact CG-CD2 4.16Å; F305-L337 HydrophobicContact CZ-CD2 4.46Å; F330-L337 HydrophobicContact CB-CD1 4.3Å; I334-L337 HydrophobicContact CD1-CB 4.22Å; I334-L337 HydrophobicContact CD1-CD2 3.71Å; I334-L337 VanDerWaalsContact O-CB 3.23Å; I334-L337 WeakPolarHBondContact O-CB 3.29Å; I334-L337 PolarHBondContact O-N 2.57Å; L337-D339 VanDerWaalsContact C-N 3.27Å; L337-D339 PolarHBondContact O-N 2.71Å; L337-D340 PolarHBondContact O-N 3.39Å; L337-D340 VanDerWaalsContact O-N 3.17Å; L337-M341 HydrophobicContact CD1-CG 4.38Å; L337-M341 HydrophobicContact CG-CG 4.22Å; L337-M341 WeakPolarHBondContact O-CG 3.33Å; L337-M341 PolarHBondContact O-N 3.06Å; L337-L355 HydrophobicContact CD2-CD2 3.85Å |
| 338 | P | 90.2 | Very high | 93.1 | Very high | 68 Ų | 68 | 45.4 Ų | 45.4 | 44% | 0.442 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.8 | -30.8 | 175.7 | -24.3 | 36 | 0 | 0 | 0 | 114.3 | L336 K342 | L336-P338 VanDerWaalsContact C-CD 3.45Å; L336-P338 VanDerWaalsContact C-N 3.31Å; P338-K342 VanDerWaalsContact O-CG 3.3Å; P338-K342 WeakPolarHBondContact O-CG 3.26Å; P338-K342 PolarHBondContact O-N 2.63Å |
| 339 | D | 93.4 | Very high | 93 | Very high | 65 Ų | 65 | 45.4 Ų | 45.4 | 35% | 0.348 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -69.4 | -46.3 | 172.8 | -173 | 72.5 | 0 | 0 | 0 | 110.3 | R98 L336 L337 M341 K342 I343 | R98-D339 IonicContact CZ-OD2 3.52Å; R98-D339 VanDerWaalsContact CZ-OD2 3.29Å; R98-D339 IonicContact NH1-OD2 3.29Å; R98-D339 PolarHBondContact NH1-OD2 2.88Å; R98-D339 IonicContact NH2-OD2 3.41Å; R98-D339 PolarHBondContact NH2-OD2 3.2Å; L336-D339 WeakPolarHBondContact O-CA 3.36Å; L336-D339 VanDerWaalsContact O-CB 3.32Å; L336-D339 WeakPolarHBondContact O-CB 3.43Å; L336-D339 PolarHBondContact O-N 3.08Å; L337-D339 VanDerWaalsContact C-N 3.27Å; L337-D339 PolarHBondContact O-N 2.71Å; D339-M341 PolarHBondContact O-N 3.28Å; D339-K342 PolarHBondContact O-N 3.21Å; D339-I343 WeakPolarHBondContact O-CG1 3.25Å; D339-I343 PolarHBondContact O-N 2.87Å; D339-I343 VanDerWaalsContact O-N 3.09Å |
| 340 | D | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.7 | -44.6 | 176.5 | -71.6 | -33.9 | 0 | 0 | 0 | 112.4 | R98 I303 F330 Q331 L336 L337 K342 I343 L344 | R98-D340 WeakPolarHBondContact CD-OD1 3.28Å; R98-D340 IonicContact CZ-OD1 2.74Å; R98-D340 IonicContact NE-OD1 3.31Å; R98-D340 IonicContact NH1-OD1 2.77Å; R98-D340 PolarHBondContact NH1-OD1 3.07Å; I303-D340 HydrophobicContact CD1-CB 3.94Å; F330-D340 WeakPolarHBondContact CA-OD2 3.27Å; F330-D340 WeakPolarHBondContact CB-OD2 3.49Å; Q331-D340 WeakPolarHBondContact CG-OD1 3.35Å; Q331-D340 PolarHBondContact N-OD2 2.75Å; Q331-D340 PolarHBondContact OE1-OD1 3.33Å; L336-D340 PolarHBondContact O-N 2.84Å; L336-D340 VanDerWaalsContact O-N 3.09Å; L337-D340 PolarHBondContact O-N 3.39Å; L337-D340 VanDerWaalsContact O-N 3.17Å; D340-K342 VanDerWaalsContact C-N 3.32Å; D340-K342 PolarHBondContact O-N 3.05Å; D340-I343 PolarHBondContact O-N 2.88Å; D340-L344 WeakPolarHBondContact O-CB 3.46Å; D340-L344 PolarHBondContact O-N 2.76Å |
| 341 | M | 94.5 | Very high | 92.5 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.015 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.5 | -42 | 176.6 | -67.5 | -64.6 | -75.8 | 0 | 0 | 112 | I303 L337 D339 Q345 P346 F349 L410 G411 V414 | I303-M341 HydrophobicContact CB-SD 4.23Å; I303-M341 HydrophobicContact CD1-CG 4.22Å; I303-M341 HydrophobicContact CD1-SD 3.53Å; I303-M341 VanDerWaalsContact CD1-SD 3.53Å; I303-M341 HydrophobicContact CG1-SD 4.44Å; I303-M341 HydrophobicContact CG2-SD 3.72Å; L337-M341 HydrophobicContact CD1-CG 4.38Å; L337-M341 HydrophobicContact CG-CG 4.22Å; L337-M341 WeakPolarHBondContact O-CG 3.33Å; L337-M341 PolarHBondContact O-N 3.06Å; D339-M341 PolarHBondContact O-N 3.28Å; M341-Q345 WeakPolarHBondContact O-CA 3.48Å; M341-Q345 PolarHBondContact O-N 2.87Å; M341-P346 HydrophobicContact CE-CG 3.36Å; M341-P346 WeakPolarHBondContact O-CD 3.39Å; M341-P346 HydrophobicContact SD-CG 3.59Å; M341-P346 VanDerWaalsContact SD-CG 3.59Å; M341-F349 HydrophobicContact CE-CD1 3.89Å; M341-F349 HydrophobicContact CE-CD2 3.9Å; M341-F349 HydrophobicContact CE-CE1 3.9Å; M341-F349 HydrophobicContact CE-CE2 3.86Å; M341-F349 HydrophobicContact CE-CG 3.91Å; M341-F349 HydrophobicContact CE-CZ 3.88Å; M341-F349 HydrophobicContact SD-CD2 4.33Å; M341-F349 HydrophobicContact SD-CE2 4.04Å; M341-F349 HydrophobicContact SD-CZ 4.39Å; M341-L410 HydrophobicContact CE-CB 3.89Å; M341-L410 HydrophobicContact CE-CD2 4.09Å; M341-G411 WeakPolarHBondContact O-CA 3.31Å; M341-V414 HydrophobicContact CE-CG2 4.35Å |
| 342 | K | 94.7 | Very high | 92 | Very high | 122 Ų | 122 | 43.8 Ų | 43.8 | 53% | 0.53 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.6 | -40.1 | 179.3 | -77.5 | 175 | -179.5 | -176.9 | 0 | 112.5 | P338 D339 D340 Q345 | P338-K342 VanDerWaalsContact O-CG 3.3Å; P338-K342 WeakPolarHBondContact O-CG 3.26Å; P338-K342 PolarHBondContact O-N 2.63Å; D339-K342 PolarHBondContact O-N 3.21Å; D340-K342 VanDerWaalsContact C-N 3.32Å; D340-K342 PolarHBondContact O-N 3.05Å; K342-Q345 WeakPolarHBondContact O-CG 3.49Å |
| 343 | I | 96.8 | Very high | 91.6 | Very high | 84 Ų | 84 | 42.6 Ų | 42.6 | 43% | 0.431 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -81.1 | -41.4 | -178 | -60 | -59.9 | 0 | 0 | 0 | 111.7 | Y104 D339 D340 | Y104-I343 HydrophobicContact CD2-CG2 4.05Å; Y104-I343 HydrophobicContact CE2-CG2 4.44Å; D339-I343 WeakPolarHBondContact O-CG1 3.25Å; D339-I343 PolarHBondContact O-N 2.87Å; D339-I343 VanDerWaalsContact O-N 3.09Å; D340-I343 PolarHBondContact O-N 2.88Å |
| 344 | L | 97.6 | Very high | 91 | Very high | 9 Ų | 9 | 46.1 Ų | 46.1 | 5% | 0.047 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -72.7 | -35.3 | 179.7 | -170.8 | 61.2 | 0 | 0 | 0 | 112.2 | Y104 W106 V301 I303 D340 R413 | Y104-L344 HydrophobicContact CD1-CD1 4.17Å; Y104-L344 HydrophobicContact CD2-CB 4.14Å; Y104-L344 HydrophobicContact CD2-CD1 3.8Å; Y104-L344 HydrophobicContact CE1-CD1 4.1Å; Y104-L344 HydrophobicContact CE2-CB 3.54Å; Y104-L344 HydrophobicContact CE2-CD1 3.74Å; Y104-L344 HydrophobicContact CE2-CD2 4.5Å; Y104-L344 HydrophobicContact CE2-CG 4.11Å; Y104-L344 HydrophobicContact CG-CD1 4.04Å; W106-L344 HydrophobicContact CH2-CD1 3.81Å; W106-L344 HydrophobicContact CZ2-CD1 3.73Å; V301-L344 HydrophobicContact CG2-CD1 3.56Å; V301-L344 HydrophobicContact CG2-CD2 4.08Å; V301-L344 HydrophobicContact CG2-CG 3.74Å; I303-L344 HydrophobicContact CB-CD2 3.66Å; I303-L344 HydrophobicContact CD1-CD2 4.11Å; I303-L344 HydrophobicContact CG1-CD2 3.83Å; D340-L344 WeakPolarHBondContact O-CB 3.46Å; D340-L344 PolarHBondContact O-N 2.76Å; L344-R413 PolarHBondContact O-NH2 2.62Å |
| 345 | Q | 97.3 | Very high | 90.8 | Very high | 88 Ų | 88 | 43.9 Ų | 43.9 | 41% | 0.411 | 21% | 0.207 | S | C | . | . | trans | 48.2 | 63.5 | -171.9 | -56.9 | -172.3 | -56.4 | 0 | 0 | 111.9 | M341 K342 G411 R413 | M341-Q345 WeakPolarHBondContact O-CA 3.48Å; M341-Q345 PolarHBondContact O-N 2.87Å; K342-Q345 WeakPolarHBondContact O-CG 3.49Å; Q345-G411 WeakPolarHBondContact CB-O 2.92Å; Q345-G411 WeakPolarHBondContact CG-O 3.32Å; Q345-G411 PolarHBondContact NE2-O 3.49Å; Q345-R413 HydrophobicContact CB-CG 4.16Å; Q345-R413 VanDerWaalsContact CB-NE 3.33Å; Q345-R413 VanDerWaalsContact O-CZ 3.28Å; Q345-R413 PolarHBondContact O-NE 2.77Å; Q345-R413 PolarHBondContact O-NH2 2.9Å | ||
| 346 | P | 97.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -62 | 150.3 | -174.6 | 26.3 | -32.8 | 0 | 0 | 0 | 112 | V301 I303 M341 R413 V414 | V301-P346 WeakPolarHBondContact O-CA 3.34Å; I303-P346 HydrophobicContact CB-CB 4.41Å; I303-P346 HydrophobicContact CG2-CG 4.46Å; M341-P346 HydrophobicContact CE-CG 3.36Å; M341-P346 WeakPolarHBondContact O-CD 3.39Å; M341-P346 HydrophobicContact SD-CG 3.59Å; M341-P346 VanDerWaalsContact SD-CG 3.59Å; P346-R413 CarbonylContact O-C 3.55Å; P346-V414 HydrophobicContact CG-CG2 4.13Å; P346-V414 VanDerWaalsContact O-CA 3.31Å; P346-V414 WeakPolarHBondContact O-CA 3.4Å; P346-V414 VanDerWaalsContact O-CG2 3.31Å; P346-V414 WeakPolarHBondContact O-CG2 3.31Å; P346-V414 PolarHBondContact O-N 3.4Å | ||
| 347 | T | 97.1 | Very high | 90.1 | Very high | 14 Ų | 14 | 33.3 Ų | 33.3 | 9% | 0.086 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -100.4 | -30.9 | 172.3 | 59.9 | 0 | 0 | 0 | 0 | 111.4 | D300 V301 R413 V414 R415 M416 | D300-T347 VanDerWaalsContact CA-OG1 3.26Å; D300-T347 WeakPolarHBondContact CA-OG1 3.36Å; D300-T347 VanDerWaalsContact CB-OG1 3.31Å; D300-T347 WeakPolarHBondContact CB-OG1 3.24Å; D300-T347 VanDerWaalsContact OD1-CB 3.25Å; D300-T347 WeakPolarHBondContact OD1-CB 3.32Å; D300-T347 PolarHBondContact OD1-OG1 3.25Å; V301-T347 HydrophobicContact CG1-CG2 4.35Å; V301-T347 PolarHBondContact N-OG1 3.17Å; V301-T347 PolarHBondContact O-N 3.44Å; V301-T347 PolarHBondContact O-OG1 3.22Å; T347-R413 HydrophobicContact CG2-CB 4.22Å; T347-V414 CarbonylContact O-C 3.22Å; T347-R415 WeakPolarHBondContact O-CG 3.23Å; T347-R415 PolarHBondContact O-N 2.96Å; T347-M416 PolarHBondContact O-N 2.64Å |
| 348 | V | 95.9 | Very high | 89.4 | Confident | 8 Ų | 8 | 40.9 Ų | 40.9 | 5% | 0.048 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 131.2 | 173.8 | -178.4 | 0 | 0 | 0 | 0 | 108.5 | V301 S302 I320 M416 | V301-V348 PolarHBondContact O-N 2.95Å; S302-V348 WeakPolarHBondContact CA-O 3.39Å; I320-V348 HydrophobicContact CD1-CB 4.22Å; I320-V348 HydrophobicContact CD1-CG1 4.36Å; I320-V348 HydrophobicContact CD1-CG2 4.04Å; V348-M416 WeakPolarHBondContact CA-O 3.47Å |
| 349 | F | 95.5 | Very high | 89.1 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 0% | 0.004 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 96.3 | -177.7 | -177.7 | -148.7 | 0 | 0 | 0 | 111.1 | I303 F305 M341 V351 L355 L410 V414 M416 M417 V418 | I303-F349 HydrophobicContact CG2-CD2 3.54Å; I303-F349 HydrophobicContact CG2-CE2 3.85Å; F305-F349 HydrophobicContact CD1-CE2 4.28Å; F305-F349 HydrophobicContact CE1-CD2 4.11Å; F305-F349 AromaticContact CE1-CE2 3.44Å; F305-F349 HydrophobicContact CE1-CE2 3.44Å; F305-F349 VanDerWaalsContact CE1-CE2 3.44Å; F305-F349 HydrophobicContact CE1-CZ 4.36Å; F305-F349 AromaticContact CZ-CE2 3.94Å; F305-F349 HydrophobicContact CZ-CE2 3.94Å; F305-F349 HydrophobicContact CZ-CZ 4.46Å; M341-F349 HydrophobicContact CE-CD1 3.89Å; M341-F349 HydrophobicContact CE-CD2 3.9Å; M341-F349 HydrophobicContact CE-CE1 3.9Å; M341-F349 HydrophobicContact CE-CE2 3.86Å; M341-F349 HydrophobicContact CE-CG 3.91Å; M341-F349 HydrophobicContact CE-CZ 3.88Å; M341-F349 HydrophobicContact SD-CD2 4.33Å; M341-F349 HydrophobicContact SD-CE2 4.04Å; M341-F349 HydrophobicContact SD-CZ 4.39Å; F349-V351 HydrophobicContact CD1-CB 4.48Å; F349-V351 HydrophobicContact CE1-CB 4.28Å; F349-V351 HydrophobicContact CE1-CG2 4.12Å; F349-V351 HydrophobicContact CZ-CB 4.34Å; F349-V351 HydrophobicContact CZ-CG2 4.09Å; F349-L355 HydrophobicContact CZ-CD2 3.82Å; F349-L410 HydrophobicContact CD1-CD1 4.37Å; F349-L410 HydrophobicContact CE1-CD1 4.28Å; F349-L410 HydrophobicContact CE1-CD2 4.05Å; F349-V414 HydrophobicContact CB-CG1 3.98Å; F349-V414 HydrophobicContact CB-CG2 4.27Å; F349-M416 PolarHBondContact N-O 2.88Å; F349-M417 HydrophobicContact CB-CG 4.18Å; F349-M417 HydrophobicContact CD1-CE 3.47Å; F349-M417 VanDerWaalsContact CD1-CE 3.47Å; F349-M417 HydrophobicContact CD1-CG 4.36Å; F349-M417 HydrophobicContact CD1-SD 4.15Å; F349-M417 HydrophobicContact CE1-CE 3.87Å; F349-M417 HydrophobicContact CG-CE 4.44Å; F349-M417 WeakPolarHBondContact O-CA 3.02Å; F349-V418 PolarHBondContact O-N 3.14Å |
| 350 | P | 93.6 | Very high | 88.6 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 133.2 | 169.3 | 30.7 | -34.3 | 0 | 0 | 0 | 109 | S302 F305 L306 F312 V316 | S302-P350 WeakPolarHBondContact OG-CD 3.48Å; F305-P350 WeakPolarHBondContact CE1-O 3.39Å; L306-P350 HydrophobicContact CD1-CB 4Å; F312-P350 HydrophobicContact CZ-CB 4.2Å; V316-P350 HydrophobicContact CG1-CB 4.21Å; V316-P350 HydrophobicContact CG1-CG 4.14Å; V316-P350 HydrophobicContact CG2-CB 4.09Å |
| 351 | V | 89.9 | Confident | 87.7 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 151.4 | -171.2 | 69.5 | 0 | 0 | 0 | 0 | 112.2 | F349 L355 L356 M417 V418 T419 | F349-V351 HydrophobicContact CD1-CB 4.48Å; F349-V351 HydrophobicContact CE1-CB 4.28Å; F349-V351 HydrophobicContact CE1-CG2 4.12Å; F349-V351 HydrophobicContact CZ-CB 4.34Å; F349-V351 HydrophobicContact CZ-CG2 4.09Å; V351-L355 HydrophobicContact CG2-CB 3.87Å; V351-L355 HydrophobicContact CG2-CD2 3.96Å; V351-L355 HydrophobicContact CG2-CG 4.11Å; V351-L356 HydrophobicContact CG1-CD1 3.81Å; V351-L356 HydrophobicContact CG1-CD2 3.86Å; V351-L356 HydrophobicContact CG1-CG 3.85Å; V351-L356 HydrophobicContact CG2-CD2 4.04Å; V351-L356 HydrophobicContact CG2-CG 3.94Å; V351-M417 HydrophobicContact CB-CE 4.24Å; V351-M417 HydrophobicContact CG1-CE 3.6Å; V351-V418 PolarHBondContact N-O 2.96Å; V351-T419 WeakPolarHBondContact O-CA 3.39Å; V351-T419 WeakPolarHBondContact O-CB 3.35Å; V351-T419 PolarHBondContact O-OG1 3.17Å |
| 352 | V | 82.2 | Confident | 87.1 | Confident | 31 Ų | 31 | 49.1 Ų | 49.1 | 19% | 0.188 | 22% | 0.223 | C | C | . | . | trans | -101.9 | 151.6 | 173.9 | -67.1 | 0 | 0 | 0 | 0 | 111.3 | L306 R354 L355 L356 | L306-V352 HydrophobicContact CD2-CG1 3.86Å; L306-V352 HydrophobicContact CD2-CG2 4.46Å; V352-R354 PolarHBondContact O-N 2.83Å; V352-R354 VanDerWaalsContact O-N 3.09Å; V352-L355 HydrophobicContact CG2-CB 4.44Å; V352-L355 PolarHBondContact O-N 3.2Å; V352-L356 PolarHBondContact O-N 3.03Å | ||
| 353 | P | 79.2 | Confident | 86.7 | Confident | 4 Ų | 4 | 44.6 Ų | 44.6 | 3% | 0.026 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -52.5 | -35.8 | -178.5 | -30.8 | 35.8 | 0 | 0 | 0 | 114.4 | L355 L356 N357 T419 G420 A422 P423 I424 | P353-L355 VanDerWaalsContact C-N 3.31Å; P353-L355 PolarHBondContact O-N 3.41Å; P353-L356 WeakPolarHBondContact O-CB 3.42Å; P353-L356 PolarHBondContact O-N 2.96Å; P353-L356 VanDerWaalsContact O-N 3.11Å; P353-N357 PolarHBondContact O-N 3.03Å; P353-N357 PolarHBondContact O-ND2 2.96Å; P353-T419 WeakPolarHBondContact CD-OG1 3.3Å; P353-G420 VanDerWaalsContact CD-O 3.24Å; P353-G420 WeakPolarHBondContact CD-O 3.42Å; P353-A422 HydrophobicContact CG-CB 4.01Å; P353-A422 WeakPolarHBondContact CG-O 3.49Å; P353-P423 WeakPolarHBondContact CB-O 3.09Å; P353-I424 HydrophobicContact CB-CB 4.07Å; P353-I424 HydrophobicContact CB-CG1 4.46Å; P353-I424 HydrophobicContact CG-CB 4.25Å |
| 354 | R | 73.6 | Confident | 86 | Confident | 116 Ų | 116 | 42.3 Ų | 42.3 | 44% | 0.438 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -57.3 | -42.5 | 177.5 | -174 | 179.1 | 178.5 | 176.8 | 0.8 | 112.6 | V352 R358 | V352-R354 PolarHBondContact O-N 2.83Å; V352-R354 VanDerWaalsContact O-N 3.09Å; R354-R358 PolarHBondContact O-N 3Å; R354-R358 VanDerWaalsContact O-N 3.1Å |
| 355 | L | 77.6 | Confident | 85.1 | Confident | 36 Ų | 36 | 45.7 Ų | 45.7 | 19% | 0.188 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -71.9 | -36 | 178.1 | -176 | 56.8 | 0 | 0 | 0 | 111 | F305 L337 F349 V351 V352 P353 R358 I359 | F305-L355 HydrophobicContact CE2-CD2 4.04Å; F305-L355 HydrophobicContact CZ-CD2 3.94Å; L337-L355 HydrophobicContact CD2-CD2 3.85Å; F349-L355 HydrophobicContact CZ-CD2 3.82Å; V351-L355 HydrophobicContact CG2-CB 3.87Å; V351-L355 HydrophobicContact CG2-CD2 3.96Å; V351-L355 HydrophobicContact CG2-CG 4.11Å; V352-L355 HydrophobicContact CG2-CB 4.44Å; V352-L355 PolarHBondContact O-N 3.2Å; P353-L355 VanDerWaalsContact C-N 3.31Å; P353-L355 PolarHBondContact O-N 3.41Å; L355-R358 PolarHBondContact O-N 3.43Å; L355-I359 HydrophobicContact CG-CD1 4.41Å; L355-I359 VanDerWaalsContact O-CG1 3.3Å; L355-I359 WeakPolarHBondContact O-CG1 3.44Å; L355-I359 PolarHBondContact O-N 3.04Å |
| 356 | L | 82.4 | Confident | 84.4 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.5 | -44.7 | 174.8 | -70.4 | 178.3 | 0 | 0 | 0 | 112.6 | V351 V352 P353 R358 I359 Y360 M417 T419 I424 L432 | V351-L356 HydrophobicContact CG1-CD1 3.81Å; V351-L356 HydrophobicContact CG1-CD2 3.86Å; V351-L356 HydrophobicContact CG1-CG 3.85Å; V351-L356 HydrophobicContact CG2-CD2 4.04Å; V351-L356 HydrophobicContact CG2-CG 3.94Å; V352-L356 PolarHBondContact O-N 3.03Å; P353-L356 WeakPolarHBondContact O-CB 3.42Å; P353-L356 PolarHBondContact O-N 2.96Å; P353-L356 VanDerWaalsContact O-N 3.11Å; L356-R358 VanDerWaalsContact C-N 3.34Å; L356-R358 PolarHBondContact O-N 3.15Å; L356-I359 PolarHBondContact O-N 3.27Å; L356-Y360 PolarHBondContact O-N 3.39Å; L356-M417 HydrophobicContact CD2-CE 3.35Å; L356-T419 HydrophobicContact CD1-CG2 4.05Å; L356-I424 HydrophobicContact CB-CD1 3.8Å; L356-I424 HydrophobicContact CD1-CD1 3.53Å; L356-I424 HydrophobicContact CG-CD1 4.31Å; L356-L432 HydrophobicContact CB-CD1 3.62Å; L356-L432 HydrophobicContact CD1-CD1 4.47Å; L356-L432 HydrophobicContact CD2-CD1 3.84Å; L356-L432 HydrophobicContact CG-CD1 4.16Å |
| 357 | N | 76.5 | Confident | 83.8 | Confident | 41 Ų | 41 | 44.6 Ų | 44.6 | 22% | 0.219 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.2 | -47.4 | 173.5 | -70.4 | -29 | 0 | 0 | 0 | 110.4 | P353 I359 Y360 D361 | P353-N357 PolarHBondContact O-N 3.03Å; P353-N357 PolarHBondContact O-ND2 2.96Å; N357-I359 VanDerWaalsContact C-N 3.3Å; N357-I359 PolarHBondContact O-N 3.43Å; N357-Y360 CarbonylContact O-C 3.54Å; N357-Y360 WeakPolarHBondContact O-CA 3.38Å; N357-Y360 WeakPolarHBondContact O-CB 3.48Å; N357-Y360 PolarHBondContact O-N 3.32Å; N357-D361 VanDerWaalsContact O-CG 3.23Å; N357-D361 PolarHBondContact O-N 3.37Å; N357-D361 VanDerWaalsContact O-OD2 3.08Å |
| 358 | R | 76 | Confident | 83.1 | Confident | 168 Ų | 168 | 49.2 Ų | 49.2 | 63% | 0.634 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -58.4 | -39.1 | 177.1 | -171.7 | 178.7 | -175.8 | -179.7 | 3.8 | 113.3 | R354 L355 L356 K362 | R354-R358 PolarHBondContact O-N 3Å; R354-R358 VanDerWaalsContact O-N 3.1Å; L355-R358 PolarHBondContact O-N 3.43Å; L356-R358 VanDerWaalsContact C-N 3.34Å; L356-R358 PolarHBondContact O-N 3.15Å; R358-K362 VanDerWaalsContact O-CB 3.26Å; R358-K362 WeakPolarHBondContact O-CB 3.5Å; R358-K362 PolarHBondContact O-N 3.16Å |
| 359 | I | 83.6 | Confident | 82.8 | Confident | 19 Ų | 19 | 50.8 Ų | 50.8 | 10% | 0.097 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.6 | -48.4 | 174.3 | -65.4 | 164.9 | 0 | 0 | 0 | 109.3 | L355 L356 N357 D361 K362 V363 V406 L410 L432 | L355-I359 HydrophobicContact CG-CD1 4.41Å; L355-I359 VanDerWaalsContact O-CG1 3.3Å; L355-I359 WeakPolarHBondContact O-CG1 3.44Å; L355-I359 PolarHBondContact O-N 3.04Å; L356-I359 PolarHBondContact O-N 3.27Å; N357-I359 VanDerWaalsContact C-N 3.3Å; N357-I359 PolarHBondContact O-N 3.43Å; I359-D361 PolarHBondContact O-N 3.19Å; I359-K362 PolarHBondContact O-N 2.89Å; I359-V363 VanDerWaalsContact O-CG2 3.29Å; I359-V363 WeakPolarHBondContact O-CG2 3.37Å; I359-V363 PolarHBondContact O-N 3.41Å; I359-V406 HydrophobicContact CG2-CG1 4.27Å; I359-L410 HydrophobicContact CD1-CD1 4.41Å; I359-L410 HydrophobicContact CD1-CD2 3.99Å; I359-L432 HydrophobicContact CB-CD2 4.49Å; I359-L432 HydrophobicContact CG2-CD2 3.98Å |
| 360 | Y | 84 | Confident | 82.5 | Confident | 50 Ų | 50 | 56.2 Ų | 56.2 | 20% | 0.196 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -55.6 | -52 | 177.2 | 172.6 | -89.2 | 0 | 0 | 0 | 111.9 | L356 N357 K362 V363 Q364 V428 F431 | L356-Y360 PolarHBondContact O-N 3.39Å; N357-Y360 CarbonylContact O-C 3.54Å; N357-Y360 WeakPolarHBondContact O-CA 3.38Å; N357-Y360 WeakPolarHBondContact O-CB 3.48Å; N357-Y360 PolarHBondContact O-N 3.32Å; Y360-K362 VanDerWaalsContact C-N 3.32Å; Y360-K362 PolarHBondContact O-N 2.68Å; Y360-V363 PolarHBondContact O-N 2.86Å; Y360-V363 VanDerWaalsContact O-N 3.1Å; Y360-Q364 HydrophobicContact CD1-CG 4.15Å; Y360-Q364 HydrophobicContact CD2-CG 4.4Å; Y360-Q364 HydrophobicContact CE1-CG 3.73Å; Y360-Q364 HydrophobicContact CE2-CG 4.02Å; Y360-Q364 HydrophobicContact CG-CG 4.45Å; Y360-Q364 WeakPolarHBondContact O-CG 2.95Å; Y360-Q364 PolarHBondContact O-N 3.07Å; Y360-Q364 PolarHBondContact OH-NE2 3.29Å; Y360-V428 HydrophobicContact CD1-CG2 3.9Å; Y360-V428 HydrophobicContact CD2-CB 4.39Å; Y360-V428 HydrophobicContact CD2-CG1 4.23Å; Y360-V428 HydrophobicContact CD2-CG2 4.13Å; Y360-V428 HydrophobicContact CE1-CG2 4.14Å; Y360-V428 HydrophobicContact CE2-CG2 4.36Å; Y360-V428 HydrophobicContact CG-CB 4.43Å; Y360-V428 HydrophobicContact CG-CG1 4.05Å; Y360-V428 HydrophobicContact CG-CG2 3.92Å; Y360-F431 HydrophobicContact CD2-CB 3.95Å; Y360-F431 AromaticContact CD2-CD1 3.43Å; Y360-F431 HydrophobicContact CD2-CD1 3.43Å; Y360-F431 VanDerWaalsContact CD2-CD1 3.43Å; Y360-F431 HydrophobicContact CD2-CE1 4.05Å; Y360-F431 AromaticContact CD2-CG 3.74Å; Y360-F431 HydrophobicContact CD2-CG 3.74Å; Y360-F431 HydrophobicContact CE2-CB 3.81Å; Y360-F431 AromaticContact CE2-CD1 3.91Å; Y360-F431 HydrophobicContact CE2-CD1 3.91Å; Y360-F431 HydrophobicContact CE2-CD2 4.25Å; Y360-F431 AromaticContact CE2-CG 3.72Å; Y360-F431 HydrophobicContact CE2-CG 3.72Å |
| 361 | D | 76.3 | Confident | 82.2 | Confident | 83 Ų | 83 | 62.5 Ų | 62.5 | 44% | 0.444 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.9 | -40.4 | -178.3 | -62.5 | -33.8 | 0 | 0 | 0 | 111.5 | N357 I359 V363 Q364 S365 | N357-D361 VanDerWaalsContact O-CG 3.23Å; N357-D361 PolarHBondContact O-N 3.37Å; N357-D361 VanDerWaalsContact O-OD2 3.08Å; I359-D361 PolarHBondContact O-N 3.19Å; D361-V363 VanDerWaalsContact C-N 3.34Å; D361-V363 PolarHBondContact O-N 3.5Å; D361-Q364 PolarHBondContact O-N 2.9Å; D361-S365 VanDerWaalsContact O-CB 3.3Å; D361-S365 WeakPolarHBondContact O-CB 2.93Å; D361-S365 PolarHBondContact O-N 3.18Å; D361-S365 PolarHBondContact O-OG 2.96Å |
| 362 | K | 82.1 | Confident | 82.2 | Confident | 156 Ų | 156 | 66.5 Ų | 66.5 | 68% | 0.678 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -64.5 | -37.1 | 175.6 | -174.9 | 170.5 | -176.8 | 172.7 | 0 | 112.7 | R358 I359 Y360 S365 G366 | R358-K362 VanDerWaalsContact O-CB 3.26Å; R358-K362 WeakPolarHBondContact O-CB 3.5Å; R358-K362 PolarHBondContact O-N 3.16Å; I359-K362 PolarHBondContact O-N 2.89Å; Y360-K362 VanDerWaalsContact C-N 3.32Å; Y360-K362 PolarHBondContact O-N 2.68Å; K362-S365 PolarHBondContact O-OG 3.33Å; K362-G366 PolarHBondContact O-N 3.19Å |
| 363 | V | 86.9 | Confident | 82.5 | Confident | 27 Ų | 27 | 70 Ų | 70 | 16% | 0.164 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -71.5 | -42.2 | 176.8 | 177.4 | 0 | 0 | 0 | 0 | 110.6 | I359 Y360 D361 G366 L376 V406 F431 | I359-V363 VanDerWaalsContact O-CG2 3.29Å; I359-V363 WeakPolarHBondContact O-CG2 3.37Å; I359-V363 PolarHBondContact O-N 3.41Å; Y360-V363 PolarHBondContact O-N 2.86Å; Y360-V363 VanDerWaalsContact O-N 3.1Å; D361-V363 VanDerWaalsContact C-N 3.34Å; D361-V363 PolarHBondContact O-N 3.5Å; V363-G366 PolarHBondContact O-N 2.98Å; V363-L376 HydrophobicContact CG1-CD1 4.17Å; V363-L376 HydrophobicContact CG1-CD2 4.12Å; V363-V406 HydrophobicContact CG1-CG2 4.1Å; V363-V406 HydrophobicContact CG2-CB 4.33Å; V363-V406 HydrophobicContact CG2-CG1 3.73Å; V363-V406 HydrophobicContact CG2-CG2 3.61Å; V363-F431 HydrophobicContact CB-CE1 4.29Å; V363-F431 HydrophobicContact CB-CZ 4.32Å; V363-F431 HydrophobicContact CG1-CE1 4.05Å; V363-F431 HydrophobicContact CG1-CZ 3.64Å |
| 364 | Q | 82.1 | Confident | 83.1 | Confident | 37 Ų | 37 | 76.7 Ų | 76.7 | 17% | 0.173 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -67.2 | -41.4 | 178.8 | -67.7 | -66.4 | 7.4 | 0 | 0 | 112.5 | Y360 D361 G366 A367 | Y360-Q364 HydrophobicContact CD1-CG 4.15Å; Y360-Q364 HydrophobicContact CD2-CG 4.4Å; Y360-Q364 HydrophobicContact CE1-CG 3.73Å; Y360-Q364 HydrophobicContact CE2-CG 4.02Å; Y360-Q364 HydrophobicContact CG-CG 4.45Å; Y360-Q364 WeakPolarHBondContact O-CG 2.95Å; Y360-Q364 PolarHBondContact O-N 3.07Å; Y360-Q364 PolarHBondContact OH-NE2 3.29Å; D361-Q364 PolarHBondContact O-N 2.9Å; Q364-G366 VanDerWaalsContact C-N 3.3Å; Q364-G366 PolarHBondContact O-N 3.29Å; Q364-A367 PolarHBondContact O-N 3.32Å |
| 365 | S | 79 | Confident | 84 | Confident | 80 Ų | 80 | 73.8 Ų | 73.8 | 56% | 0.559 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -70.1 | -27.1 | 177.4 | 64.9 | 0 | 0 | 0 | 0 | 113 | D361 K362 A367 | D361-S365 VanDerWaalsContact O-CB 3.3Å; D361-S365 WeakPolarHBondContact O-CB 2.93Å; D361-S365 PolarHBondContact O-N 3.18Å; D361-S365 PolarHBondContact O-OG 2.96Å; K362-S365 PolarHBondContact O-OG 3.33Å; S365-A367 PolarHBondContact O-N 2.85Å |
| 366 | G | 81.3 | Confident | 84.7 | Confident | 56 Ų | 56 | 72.5 Ų | 72.5 | 58% | 0.577 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -64.6 | -20.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | K362 V363 Q364 T368 | K362-G366 PolarHBondContact O-N 3.19Å; V363-G366 PolarHBondContact O-N 2.98Å; Q364-G366 VanDerWaalsContact C-N 3.3Å; Q364-G366 PolarHBondContact O-N 3.29Å; G366-T368 PolarHBondContact O-N 3.37Å |
| 367 | A | 85 | Confident | 85.2 | Confident | 9 Ų | 9 | 75.9 Ų | 75.9 | 7% | 0.074 | 39% | 0.391 | C | S | . | . | trans | -91.1 | 94.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q364 S365 Q372 K373 L376 | Q364-A367 PolarHBondContact O-N 3.32Å; S365-A367 PolarHBondContact O-N 2.85Å; A367-Q372 HydrophobicContact CB-CB 4.03Å; A367-K373 HydrophobicContact CB-CG 3.88Å; A367-K373 WeakPolarHBondContact O-CE 3.45Å; A367-K373 VanDerWaalsContact O-CG 3.27Å; A367-K373 WeakPolarHBondContact O-CG 3.14Å; A367-L376 HydrophobicContact CB-CD2 4.06Å | ||
| 368 | T | 83.4 | Confident | 86 | Confident | 111 Ų | 111 | 77.6 Ų | 77.6 | 68% | 0.681 | 40% | 0.397 | S | S | * | . | trans | -88.6 | -35.5 | -171.6 | 57.3 | 0 | 0 | 0 | 0 | 112.9 | G366 Q372 | G366-T368 PolarHBondContact O-N 3.37Å; T368-Q372 PolarHBondContact OG1-OE1 3.01Å | ||
| 369 | S | 89.6 | Confident | 86.8 | Confident | 41 Ų | 41 | 69.6 Ų | 69.6 | 29% | 0.287 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -88.3 | 153.1 | -179 | 82.5 | 0 | 0 | 0 | 0 | 113 | F371 Q372 K373 | S369-F371 PolarHBondContact O-N 3.46Å; S369-Q372 VanDerWaalsContact N-OE1 3.12Å; S369-Q372 PolarHBondContact O-N 3.09Å; S369-Q372 VanDerWaalsContact O-N 3.1Å; S369-Q372 WeakPolarHBondContact OG-CB 3.29Å; S369-Q372 VanDerWaalsContact OG-CG 3.28Å; S369-Q372 WeakPolarHBondContact OG-CG 3.31Å; S369-Q372 PolarHBondContact OG-N 3.38Å; S369-Q372 VanDerWaalsContact OG-N 3.14Å; S369-K373 PolarHBondContact O-N 3.23Å |
| 370 | P | 87.8 | Confident | 87.3 | Confident | 114 Ų | 114 | 69 Ų | 69 | 74% | 0.74 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -55.8 | -38.2 | 176 | -26.6 | 35 | 0 | 0 | 0 | 113.1 | K373 W374 | P370-K373 PolarHBondContact O-N 3.29Å; P370-W374 WeakPolarHBondContact O-CB 3.12Å; P370-W374 PolarHBondContact O-N 2.93Å |
| 371 | F | 88.8 | Confident | 87.8 | Confident | 134 Ų | 134 | 72.8 Ų | 72.8 | 59% | 0.588 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -66.5 | -42.7 | 176.2 | 177.9 | -101.8 | 0 | 0 | 0 | 112.3 | S369 W374 L375 | S369-F371 PolarHBondContact O-N 3.46Å; F371-W374 HydrophobicContact CD2-CE3 4.15Å; F371-W374 HydrophobicContact CE2-CE3 4Å; F371-W374 AromaticContact CE2-CZ3 3.96Å; F371-W374 HydrophobicContact CE2-CZ3 3.96Å; F371-W374 PolarHBondContact O-N 2.93Å; F371-L375 HydrophobicContact CE1-CD2 4.29Å; F371-L375 VanDerWaalsContact O-CB 3.32Å; F371-L375 WeakPolarHBondContact O-CB 3.4Å; F371-L375 PolarHBondContact O-N 3.03Å |
| 372 | Q | 88.5 | Confident | 88.6 | Confident | 84 Ų | 84 | 75.7 Ų | 75.7 | 39% | 0.393 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 176.3 | -75.7 | 170.9 | -17.4 | 0 | 0 | 111.7 | A367 T368 S369 L375 L376 | A367-Q372 HydrophobicContact CB-CB 4.03Å; T368-Q372 PolarHBondContact OG1-OE1 3.01Å; S369-Q372 VanDerWaalsContact N-OE1 3.12Å; S369-Q372 PolarHBondContact O-N 3.09Å; S369-Q372 VanDerWaalsContact O-N 3.1Å; S369-Q372 WeakPolarHBondContact OG-CB 3.29Å; S369-Q372 VanDerWaalsContact OG-CG 3.28Å; S369-Q372 WeakPolarHBondContact OG-CG 3.31Å; S369-Q372 PolarHBondContact OG-N 3.38Å; S369-Q372 VanDerWaalsContact OG-N 3.14Å; Q372-L375 PolarHBondContact O-N 3.18Å; Q372-L376 VanDerWaalsContact O-CB 3.32Å; Q372-L376 WeakPolarHBondContact O-CB 3.27Å; Q372-L376 PolarHBondContact O-N 3.29Å |
| 373 | K | 89.1 | Confident | 89.2 | Confident | 103 Ų | 103 | 68.5 Ų | 68.5 | 45% | 0.448 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.5 | -45.8 | 176.1 | -70 | -177.9 | 179 | -176.9 | 0 | 111.5 | A367 S369 P370 L376 N377 | A367-K373 HydrophobicContact CB-CG 3.88Å; A367-K373 WeakPolarHBondContact O-CE 3.45Å; A367-K373 VanDerWaalsContact O-CG 3.27Å; A367-K373 WeakPolarHBondContact O-CG 3.14Å; S369-K373 PolarHBondContact O-N 3.23Å; P370-K373 PolarHBondContact O-N 3.29Å; K373-L376 PolarHBondContact O-N 3.26Å; K373-N377 WeakPolarHBondContact O-CB 3.24Å; K373-N377 VanDerWaalsContact O-CG 3.3Å; K373-N377 PolarHBondContact O-N 3.34Å; K373-N377 PolarHBondContact O-ND2 3.44Å |
| 374 | W | 92.5 | Very high | 89.5 | Confident | 146 Ų | 146 | 69.1 Ų | 69.1 | 55% | 0.553 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -58.7 | -48.4 | 175.4 | 174 | 82.5 | 0 | 0 | 0 | 111.7 | P370 F371 L376 N377 F378 | P370-W374 WeakPolarHBondContact O-CB 3.12Å; P370-W374 PolarHBondContact O-N 2.93Å; F371-W374 HydrophobicContact CD2-CE3 4.15Å; F371-W374 HydrophobicContact CE2-CE3 4Å; F371-W374 AromaticContact CE2-CZ3 3.96Å; F371-W374 HydrophobicContact CE2-CZ3 3.96Å; F371-W374 PolarHBondContact O-N 2.93Å; W374-L376 PolarHBondContact O-N 3.14Å; W374-N377 PolarHBondContact O-N 3.11Å; W374-F378 WeakPolarHBondContact O-CB 3.33Å; W374-F378 PolarHBondContact O-N 2.99Å |
| 375 | L | 91.6 | Very high | 90 | Very high | 54 Ų | 54 | 69.5 Ų | 69.5 | 28% | 0.283 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64 | -41.1 | -179.5 | -178.5 | 62.3 | 0 | 0 | 0 | 112.1 | F371 Q372 A379 W398 I402 | F371-L375 HydrophobicContact CE1-CD2 4.29Å; F371-L375 VanDerWaalsContact O-CB 3.32Å; F371-L375 WeakPolarHBondContact O-CB 3.4Å; F371-L375 PolarHBondContact O-N 3.03Å; Q372-L375 PolarHBondContact O-N 3.18Å; L375-A379 VanDerWaalsContact O-CB 3.28Å; L375-A379 WeakPolarHBondContact O-CB 3.33Å; L375-A379 PolarHBondContact O-N 3.41Å; L375-W398 HydrophobicContact CD1-CZ3 4.17Å; L375-I402 HydrophobicContact CD1-CD1 4.35Å; L375-I402 HydrophobicContact CD2-CD1 4.34Å; L375-I402 HydrophobicContact CG-CD1 3.87Å |
| 376 | L | 92.6 | Very high | 90.7 | Very high | 9 Ų | 9 | 67.6 Ų | 67.6 | 5% | 0.047 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.5 | -48.7 | 176.1 | 176.8 | 62.2 | 0 | 0 | 0 | 111.3 | V363 A367 Q372 K373 W374 A379 A380 I402 F403 F431 | V363-L376 HydrophobicContact CG1-CD1 4.17Å; V363-L376 HydrophobicContact CG1-CD2 4.12Å; A367-L376 HydrophobicContact CB-CD2 4.06Å; Q372-L376 VanDerWaalsContact O-CB 3.32Å; Q372-L376 WeakPolarHBondContact O-CB 3.27Å; Q372-L376 PolarHBondContact O-N 3.29Å; K373-L376 PolarHBondContact O-N 3.26Å; W374-L376 PolarHBondContact O-N 3.14Å; L376-A379 PolarHBondContact O-N 3.2Å; L376-A380 WeakPolarHBondContact O-CB 3.43Å; L376-A380 PolarHBondContact O-N 3.29Å; L376-I402 HydrophobicContact CD1-CG2 3.79Å; L376-F403 HydrophobicContact CD1-CE1 3.83Å; L376-F403 HydrophobicContact CD1-CZ 4.45Å; L376-F431 HydrophobicContact CD1-CE2 4.13Å; L376-F431 HydrophobicContact CD1-CZ 4.1Å; L376-F431 HydrophobicContact CG-CE2 4.2Å; L376-F431 HydrophobicContact CG-CZ 4.47Å |
| 377 | N | 92.1 | Very high | 91.2 | Very high | 72 Ų | 72 | 65.4 Ų | 65.4 | 39% | 0.385 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.4 | -45 | 178.6 | -71.6 | -21.8 | 0 | 0 | 0 | 111.2 | K373 W374 A379 A380 E381 | K373-N377 WeakPolarHBondContact O-CB 3.24Å; K373-N377 VanDerWaalsContact O-CG 3.3Å; K373-N377 PolarHBondContact O-N 3.34Å; K373-N377 PolarHBondContact O-ND2 3.44Å; W374-N377 PolarHBondContact O-N 3.11Å; N377-A379 PolarHBondContact O-N 3.13Å; N377-A380 PolarHBondContact O-N 3.01Å; N377-E381 WeakPolarHBondContact O-CB 3.24Å; N377-E381 WeakPolarHBondContact O-CG 3.46Å; N377-E381 PolarHBondContact O-N 3.09Å |
| 378 | F | 93.3 | Very high | 91.4 | Very high | 76 Ų | 76 | 71.3 Ų | 71.3 | 33% | 0.333 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.3 | -46.1 | 176.6 | -177.2 | -102.2 | 0 | 0 | 0 | 111.9 | W374 A380 E381 R382 W398 | W374-F378 WeakPolarHBondContact O-CB 3.33Å; W374-F378 PolarHBondContact O-N 2.99Å; F378-A380 PolarHBondContact O-N 3.32Å; F378-E381 PolarHBondContact O-N 2.55Å; F378-R382 HydrophobicContact CD1-CG 4.27Å; F378-R382 HydrophobicContact CE1-CG 3.94Å; F378-R382 HydrophobicContact CE2-CG 4.34Å; F378-R382 HydrophobicContact CZ-CG 3.98Å; F378-R382 VanDerWaalsContact O-CG 3.26Å; F378-R382 WeakPolarHBondContact O-CG 3.24Å; F378-R382 PolarHBondContact O-N 3.41Å; F378-W398 AromaticContact CD1-CH2 3.61Å; F378-W398 HydrophobicContact CD1-CH2 3.61Å; F378-W398 AromaticContact CD1-CZ2 3.97Å; F378-W398 HydrophobicContact CD1-CZ2 3.97Å; F378-W398 HydrophobicContact CD1-CZ3 4.28Å; F378-W398 AromaticContact CE1-CH2 3.49Å; F378-W398 HydrophobicContact CE1-CH2 3.49Å; F378-W398 VanDerWaalsContact CE1-CH2 3.49Å; F378-W398 AromaticContact CE1-CZ2 3.6Å; F378-W398 HydrophobicContact CE1-CZ2 3.6Å |
| 379 | A | 93.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.4 | -41.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L375 L376 N377 R382 K383 W398 I402 F403 | L375-A379 VanDerWaalsContact O-CB 3.28Å; L375-A379 WeakPolarHBondContact O-CB 3.33Å; L375-A379 PolarHBondContact O-N 3.41Å; L376-A379 PolarHBondContact O-N 3.2Å; N377-A379 PolarHBondContact O-N 3.13Å; A379-R382 PolarHBondContact O-N 2.73Å; A379-K383 PolarHBondContact O-N 3.08Å; A379-W398 HydrophobicContact CB-CB 4.19Å; A379-W398 HydrophobicContact CB-CD2 3.78Å; A379-W398 HydrophobicContact CB-CE3 3.47Å; A379-W398 VanDerWaalsContact CB-CE3 3.47Å; A379-W398 HydrophobicContact CB-CG 4.09Å; A379-W398 HydrophobicContact CB-CZ3 4.14Å; A379-I402 HydrophobicContact CB-CD1 3.31Å; A379-F403 HydrophobicContact CB-CE2 4.03Å; A379-F403 HydrophobicContact CB-CZ 4.06Å |
| 380 | A | 93.8 | Very high | 91.6 | Very high | 8 Ų | 8 | 69.7 Ų | 69.7 | 7% | 0.066 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64 | -44.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L376 N377 F378 K383 Y384 F403 F431 | L376-A380 WeakPolarHBondContact O-CB 3.43Å; L376-A380 PolarHBondContact O-N 3.29Å; N377-A380 PolarHBondContact O-N 3.01Å; F378-A380 PolarHBondContact O-N 3.32Å; A380-K383 PolarHBondContact O-N 3.23Å; A380-Y384 WeakPolarHBondContact O-CB 3.25Å; A380-Y384 PolarHBondContact O-N 2.81Å; A380-F403 HydrophobicContact CB-CZ 4.11Å; A380-F431 HydrophobicContact CB-CD2 3.7Å; A380-F431 HydrophobicContact CB-CE2 3.84Å |
| 381 | E | 94.1 | Very high | 91.7 | Very high | 129 Ų | 129 | 65.7 Ų | 65.7 | 60% | 0.603 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -61.4 | -45 | 175.9 | -75.5 | 174.8 | -176.7 | 0 | 0 | 112.1 | N377 F378 Y384 A385 | N377-E381 WeakPolarHBondContact O-CB 3.24Å; N377-E381 WeakPolarHBondContact O-CG 3.46Å; N377-E381 PolarHBondContact O-N 3.09Å; F378-E381 PolarHBondContact O-N 2.55Å; E381-Y384 PolarHBondContact O-N 2.94Å; E381-A385 PolarHBondContact O-N 3.13Å |
| 382 | R | 93.9 | Very high | 91.7 | Very high | 144 Ų | 144 | 61.4 Ų | 61.4 | 54% | 0.543 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.5 | -43 | 178.1 | -68.1 | -65.2 | -69.1 | 171.6 | -2.4 | 112.1 | F378 A379 A385 E386 W398 | F378-R382 HydrophobicContact CD1-CG 4.27Å; F378-R382 HydrophobicContact CE1-CG 3.94Å; F378-R382 HydrophobicContact CE2-CG 4.34Å; F378-R382 HydrophobicContact CZ-CG 3.98Å; F378-R382 VanDerWaalsContact O-CG 3.26Å; F378-R382 WeakPolarHBondContact O-CG 3.24Å; F378-R382 PolarHBondContact O-N 3.41Å; A379-R382 PolarHBondContact O-N 2.73Å; R382-A385 PolarHBondContact O-N 2.94Å; R382-E386 PolarHBondContact O-N 2.99Å; R382-W398 HydrophobicContact CB-CZ2 4.45Å; R382-W398 HydrophobicContact CG-CZ2 4.16Å |
| 383 | K | 93.8 | Very high | 91.7 | Very high | 4 Ų | 4 | 60.5 Ų | 60.5 | 2% | 0.017 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69.7 | -36 | 174.9 | -78.8 | -152.3 | 74.9 | -168.5 | 0 | 112.3 | A379 A380 A385 E386 V387 R393 W398 D399 F403 A434 | A379-K383 PolarHBondContact O-N 3.08Å; A380-K383 PolarHBondContact O-N 3.23Å; K383-A385 VanDerWaalsContact C-N 3.29Å; K383-A385 PolarHBondContact O-N 2.94Å; K383-E386 WeakPolarHBondContact O-CB 3.42Å; K383-E386 PolarHBondContact O-N 3.17Å; K383-V387 WeakPolarHBondContact O-CG2 3.37Å; K383-V387 PolarHBondContact O-N 3Å; K383-R393 PolarHBondContact NZ-O 2.78Å; K383-W398 HydrophobicContact CD-CB 4.08Å; K383-W398 HydrophobicContact CG-CB 3.95Å; K383-W398 HydrophobicContact CG-CG 4.24Å; K383-D399 IonicContact NZ-OD1 3.92Å; K383-D399 PolarHBondContact NZ-OD1 2.82Å; K383-D399 IonicContact NZ-OD2 2.71Å; K383-D399 PolarHBondContact NZ-OD2 2.87Å; K383-F403 HydrophobicContact CD-CD2 3.62Å; K383-F403 HydrophobicContact CD-CE2 3.65Å; K383-F403 HydrophobicContact CG-CD2 4.49Å; K383-F403 HydrophobicContact CG-CE2 4.07Å; K383-A434 HydrophobicContact CB-CB 3.79Å; K383-A434 WeakPolarHBondContact CD-O 3.42Å; K383-A434 WeakPolarHBondContact CE-O 3.11Å; K383-A434 PolarHBondContact NZ-O 2.85Å |
| 384 | Y | 93.7 | Very high | 91.7 | Very high | 40 Ų | 40 | 58.4 Ų | 58.4 | 16% | 0.157 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.5 | -32.3 | 177.4 | -174.7 | -122.9 | 0 | 0 | 0 | 111.9 | A380 E381 E386 V387 K388 N430 A461 | A380-Y384 WeakPolarHBondContact O-CB 3.25Å; A380-Y384 PolarHBondContact O-N 2.81Å; E381-Y384 PolarHBondContact O-N 2.94Å; Y384-E386 VanDerWaalsContact C-N 3.33Å; Y384-E386 PolarHBondContact O-N 2.8Å; Y384-V387 HydrophobicContact CD2-CB 4.22Å; Y384-V387 HydrophobicContact CD2-CG1 4.43Å; Y384-V387 WeakPolarHBondContact O-CB 3.37Å; Y384-V387 PolarHBondContact O-N 3.17Å; Y384-K388 HydrophobicContact CE1-CD 4.32Å; Y384-K388 HydrophobicContact CE1-CG 4.35Å; Y384-K388 WeakPolarHBondContact O-CG 3.49Å; Y384-K388 PolarHBondContact O-N 3.05Å; Y384-N430 HydrophobicContact CD2-CB 3.98Å; Y384-N430 HydrophobicContact CE1-CB 4.13Å; Y384-N430 HydrophobicContact CE2-CB 3.59Å; Y384-N430 HydrophobicContact CG-CB 4.46Å; Y384-N430 PolarHBondContact OH-ND2 3.26Å; Y384-N430 PolarHBondContact OH-OD1 3.46Å; Y384-A461 PolarHBondContact OH-O 2.84Å |
| 385 | A | 93.4 | Very high | 91.5 | Very high | 45 Ų | 45 | 56.6 Ų | 56.6 | 37% | 0.372 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.3 | -42.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E381 R382 K383 V387 K388 D389 | E381-A385 PolarHBondContact O-N 3.13Å; R382-A385 PolarHBondContact O-N 2.94Å; K383-A385 VanDerWaalsContact C-N 3.29Å; K383-A385 PolarHBondContact O-N 2.94Å; A385-V387 VanDerWaalsContact C-N 3.34Å; A385-V387 PolarHBondContact O-N 3.28Å; A385-K388 WeakPolarHBondContact O-CB 2.95Å; A385-K388 PolarHBondContact O-N 2.86Å; A385-D389 PolarHBondContact O-N 2.63Å |
| 386 | E | 92.4 | Very high | 91.4 | Very high | 40 Ų | 40 | 54 Ų | 54 | 19% | 0.187 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61 | -42.9 | 172.8 | -64.7 | -174.7 | 174.6 | 0 | 0 | 111.7 | R382 K383 Y384 K388 D389 G390 I391 R393 | R382-E386 PolarHBondContact O-N 2.99Å; K383-E386 WeakPolarHBondContact O-CB 3.42Å; K383-E386 PolarHBondContact O-N 3.17Å; Y384-E386 VanDerWaalsContact C-N 3.33Å; Y384-E386 PolarHBondContact O-N 2.8Å; E386-K388 VanDerWaalsContact C-N 3.28Å; E386-K388 PolarHBondContact O-N 2.97Å; E386-D389 CarbonylContact O-C 3.35Å; E386-D389 WeakPolarHBondContact O-CA 3.36Å; E386-D389 PolarHBondContact O-N 2.71Å; E386-G390 PolarHBondContact O-N 3.27Å; E386-I391 CarbonylContact C-O 3.22Å; E386-I391 HydrophobicContact CB-CB 4Å; E386-I391 HydrophobicContact CB-CG2 4.05Å; E386-I391 WeakPolarHBondContact O-CA 3.48Å; E386-I391 WeakPolarHBondContact O-CB 3.42Å; E386-I391 PolarHBondContact O-N 3.36Å; E386-R393 IonicContact OE1-CZ 2.57Å; E386-R393 IonicContact OE1-NE 2.84Å; E386-R393 IonicContact OE1-NH2 3.92Å; E386-R393 PolarHBondContact OE1-NH2 3.5Å; E386-R393 IonicContact OE2-CZ 2.69Å; E386-R393 IonicContact OE2-NE 3.61Å; E386-R393 PolarHBondContact OE2-NE 3.19Å; E386-R393 IonicContact OE2-NH2 3.56Å; E386-R393 PolarHBondContact OE2-NH2 3.07Å |
| 387 | V | 91.5 | Very high | 91.2 | Very high | 11 Ų | 11 | 58.9 Ų | 58.9 | 7% | 0.067 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.4 | -38.2 | 177.7 | 175 | 0 | 0 | 0 | 0 | 111.6 | K383 Y384 A385 D389 G390 I391 R433 A461 | K383-V387 WeakPolarHBondContact O-CG2 3.37Å; K383-V387 PolarHBondContact O-N 3Å; Y384-V387 HydrophobicContact CD2-CB 4.22Å; Y384-V387 HydrophobicContact CD2-CG1 4.43Å; Y384-V387 WeakPolarHBondContact O-CB 3.37Å; Y384-V387 PolarHBondContact O-N 3.17Å; A385-V387 VanDerWaalsContact C-N 3.34Å; A385-V387 PolarHBondContact O-N 3.28Å; V387-D389 PolarHBondContact O-N 3.28Å; V387-G390 WeakPolarHBondContact O-CA 3.39Å; V387-G390 PolarHBondContact O-N 3.11Å; V387-I391 PolarHBondContact N-O 2.89Å; V387-R433 HydrophobicContact CG1-CB 4.31Å; V387-A461 HydrophobicContact CG1-CB 4.02Å |
| 388 | K | 90.8 | Very high | 91.2 | Very high | 132 Ų | 132 | 57.5 Ų | 57.5 | 57% | 0.574 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -62.6 | -31.4 | 174.8 | -70.7 | -178.8 | -177 | -177 | 0 | 113 | Y384 A385 E386 G390 A461 | Y384-K388 HydrophobicContact CE1-CD 4.32Å; Y384-K388 HydrophobicContact CE1-CG 4.35Å; Y384-K388 WeakPolarHBondContact O-CG 3.49Å; Y384-K388 PolarHBondContact O-N 3.05Å; A385-K388 WeakPolarHBondContact O-CB 2.95Å; A385-K388 PolarHBondContact O-N 2.86Å; E386-K388 VanDerWaalsContact C-N 3.28Å; E386-K388 PolarHBondContact O-N 2.97Å; K388-G390 PolarHBondContact O-N 2.76Å; K388-A461 HydrophobicContact CG-CB 4.29Å |
| 389 | D | 89 | Confident | 91.1 | Very high | 112 Ų | 112 | 54 Ų | 54 | 60% | 0.599 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | 10.6 | 174 | -61.6 | -25.8 | 0 | 0 | 0 | 112.2 | P37 A385 E386 V387 I391 | P37-D389 VanDerWaalsContact CB-O 3.31Å; P37-D389 WeakPolarHBondContact CB-O 3.26Å; P37-D389 WeakPolarHBondContact CG-O 3.37Å; A385-D389 PolarHBondContact O-N 2.63Å; E386-D389 CarbonylContact O-C 3.35Å; E386-D389 WeakPolarHBondContact O-CA 3.36Å; E386-D389 PolarHBondContact O-N 2.71Å; V387-D389 PolarHBondContact O-N 3.28Å; D389-I391 HydrophobicContact CB-CD1 4.29Å; D389-I391 PolarHBondContact O-N 2.86Å |
| 390 | G | 87.5 | Confident | 90.9 | Very high | 7 Ų | 7 | 61.3 Ų | 61.3 | 7% | 0.072 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | 6.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.1 | P37 V38 E386 V387 K388 V392 | P37-G390 WeakPolarHBondContact CA-O 3.5Å; V38-G390 PolarHBondContact N-O 3.38Å; E386-G390 PolarHBondContact O-N 3.27Å; V387-G390 WeakPolarHBondContact O-CA 3.39Å; V387-G390 PolarHBondContact O-N 3.11Å; K388-G390 PolarHBondContact O-N 2.76Å; G390-V392 PolarHBondContact O-N 2.91Å |
| 391 | I | 89.8 | Confident | 90.6 | Very high | 29 Ų | 29 | 66.5 Ų | 66.5 | 15% | 0.149 | 32% | 0.32 | C | S | . | . | trans | -88.3 | 108.2 | -177.6 | -64.9 | 164.4 | 0 | 0 | 0 | 109.5 | P35 P37 E386 V387 D389 R393 | P35-I391 HydrophobicContact CB-CG2 3.58Å; P35-I391 HydrophobicContact CG-CD1 4.22Å; P35-I391 HydrophobicContact CG-CG1 4.44Å; P35-I391 HydrophobicContact CG-CG2 3.61Å; P37-I391 HydrophobicContact CG-CG1 4.32Å; E386-I391 CarbonylContact C-O 3.22Å; E386-I391 HydrophobicContact CB-CB 4Å; E386-I391 HydrophobicContact CB-CG2 4.05Å; E386-I391 WeakPolarHBondContact O-CA 3.48Å; E386-I391 WeakPolarHBondContact O-CB 3.42Å; E386-I391 PolarHBondContact O-N 3.36Å; V387-I391 PolarHBondContact N-O 2.89Å; D389-I391 HydrophobicContact CB-CD1 4.29Å; D389-I391 PolarHBondContact O-N 2.86Å; I391-R393 HydrophobicContact CG2-CG 4.41Å | ||
| 392 | V | 89.1 | Confident | 90.4 | Very high | 45 Ų | 45 | 62 Ų | 62 | 27% | 0.273 | 30% | 0.3 | S | S | . | . | trans | -116.5 | 114 | 177.8 | -177.6 | 0 | 0 | 0 | 0 | 109.3 | G390 Q439 | G390-V392 PolarHBondContact O-N 2.91Å; V392-Q439 HydrophobicContact CG1-CG 4.26Å; V392-Q439 HydrophobicContact CG2-CG 4.23Å | ||
| 393 | R | 88.4 | Confident | 90.4 | Very high | 65 Ų | 65 | 55.2 Ų | 55.2 | 25% | 0.245 | 27% | 0.274 | C | S | . | . | trans | -150.3 | 163.3 | -176.1 | 69 | -171.8 | -175.5 | 131.5 | -9.4 | 113.1 | K383 E386 I391 N395 G437 | K383-R393 PolarHBondContact NZ-O 2.78Å; E386-R393 IonicContact OE1-CZ 2.57Å; E386-R393 IonicContact OE1-NE 2.84Å; E386-R393 IonicContact OE1-NH2 3.92Å; E386-R393 PolarHBondContact OE1-NH2 3.5Å; E386-R393 IonicContact OE2-CZ 2.69Å; E386-R393 IonicContact OE2-NE 3.61Å; E386-R393 PolarHBondContact OE2-NE 3.19Å; E386-R393 IonicContact OE2-NH2 3.56Å; E386-R393 PolarHBondContact OE2-NH2 3.07Å; I391-R393 HydrophobicContact CG2-CG 4.41Å; R393-N395 WeakPolarHBondContact CD-OD1 3.41Å; R393-N395 PolarHBondContact NH1-OD1 2.86Å; R393-G437 VanDerWaalsContact O-CA 3.23Å; R393-G437 WeakPolarHBondContact O-CA 3.44Å | ||
| 394 | K | 88.8 | Confident | 90.3 | Very high | 59 Ų | 59 | 58 Ų | 58 | 26% | 0.257 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -118.9 | 7.6 | 178.2 | -61.2 | -179.1 | 176.6 | 177.3 | 0 | 114.4 | D399 G412 V414 L436 G437 | K394-D399 WeakPolarHBondContact CA-OD2 3.47Å; K394-D399 WeakPolarHBondContact O-CB 3.3Å; K394-G412 PolarHBondContact NZ-O 3.03Å; K394-V414 WeakPolarHBondContact CE-O 3.39Å; K394-V414 PolarHBondContact NZ-O 3.41Å; K394-L436 WeakPolarHBondContact CE-O 3.26Å; K394-G437 WeakPolarHBondContact CG-O 3.14Å |
| 395 | N | 88.3 | Confident | 90.1 | Very high | 107 Ų | 107 | 63.2 Ų | 63.2 | 57% | 0.572 | 31% | 0.31 | S | S | * | . | trans | -114.3 | 17.3 | -174 | 68.2 | -10.2 | 0 | 0 | 0 | 113.2 | R393 D399 | R393-N395 WeakPolarHBondContact CD-OD1 3.41Å; R393-N395 PolarHBondContact NH1-OD1 2.86Å; N395-D399 PolarHBondContact N-OD2 3.28Å | ||
| 396 | S | 88.8 | Confident | 90 | Very high | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.007 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -70.7 | 166.7 | 174.5 | 75.8 | 0 | 0 | 0 | 0 | 111.5 | W398 D399 K400 | S396-W398 PolarHBondContact O-N 3.47Å; S396-W398 PolarHBondContact OG-N 2.76Å; S396-D399 WeakPolarHBondContact CA-OD2 3.49Å; S396-D399 WeakPolarHBondContact CB-OD2 3.47Å; S396-D399 PolarHBondContact N-OD2 3.48Å; S396-D399 WeakPolarHBondContact O-CB 3.22Å; S396-D399 PolarHBondContact O-N 3.48Å; S396-D399 PolarHBondContact OG-N 3.4Å; S396-D399 VanDerWaalsContact OG-N 3.14Å; S396-D399 PolarHBondContact OG-OD2 2.87Å; S396-K400 PolarHBondContact O-N 3.42Å |
| 397 | I | 89.6 | Confident | 90.1 | Very high | 111 Ų | 111 | 60.7 Ų | 60.7 | 57% | 0.569 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -60.3 | -35.6 | 173.3 | -165.7 | 167.4 | 0 | 0 | 0 | 111.5 | D399 K400 L401 | I397-D399 VanDerWaalsContact C-N 3.33Å; I397-D399 PolarHBondContact O-N 2.93Å; I397-K400 PolarHBondContact O-N 3.2Å; I397-L401 HydrophobicContact CD1-CD1 4.43Å; I397-L401 HydrophobicContact CG1-CD1 3.85Å; I397-L401 HydrophobicContact CG1-CG 4.33Å; I397-L401 WeakPolarHBondContact O-CB 3.46Å; I397-L401 VanDerWaalsContact O-CG 3.3Å; I397-L401 WeakPolarHBondContact O-CG 3.34Å; I397-L401 PolarHBondContact O-N 2.89Å |
| 398 | W | 92.3 | Very high | 90.1 | Very high | 43 Ų | 43 | 65.8 Ų | 65.8 | 16% | 0.163 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68.5 | -32.9 | 177.9 | -54.9 | 119 | 0 | 0 | 0 | 112.4 | L375 F378 A379 R382 K383 S396 I402 F403 | L375-W398 HydrophobicContact CD1-CZ3 4.17Å; F378-W398 AromaticContact CD1-CH2 3.61Å; F378-W398 HydrophobicContact CD1-CH2 3.61Å; F378-W398 AromaticContact CD1-CZ2 3.97Å; F378-W398 HydrophobicContact CD1-CZ2 3.97Å; F378-W398 HydrophobicContact CD1-CZ3 4.28Å; F378-W398 AromaticContact CE1-CH2 3.49Å; F378-W398 HydrophobicContact CE1-CH2 3.49Å; F378-W398 VanDerWaalsContact CE1-CH2 3.49Å; F378-W398 AromaticContact CE1-CZ2 3.6Å; F378-W398 HydrophobicContact CE1-CZ2 3.6Å; A379-W398 HydrophobicContact CB-CB 4.19Å; A379-W398 HydrophobicContact CB-CD2 3.78Å; A379-W398 HydrophobicContact CB-CE3 3.47Å; A379-W398 VanDerWaalsContact CB-CE3 3.47Å; A379-W398 HydrophobicContact CB-CG 4.09Å; A379-W398 HydrophobicContact CB-CZ3 4.14Å; R382-W398 HydrophobicContact CB-CZ2 4.45Å; R382-W398 HydrophobicContact CG-CZ2 4.16Å; K383-W398 HydrophobicContact CD-CB 4.08Å; K383-W398 HydrophobicContact CG-CB 3.95Å; K383-W398 HydrophobicContact CG-CG 4.24Å; S396-W398 PolarHBondContact O-N 3.47Å; S396-W398 PolarHBondContact OG-N 2.76Å; W398-I402 HydrophobicContact CE3-CD1 3.96Å; W398-I402 HydrophobicContact CZ3-CD1 4.43Å; W398-I402 WeakPolarHBondContact O-CA 3.18Å; W398-I402 WeakPolarHBondContact O-CB 3.5Å; W398-I402 PolarHBondContact O-N 3.18Å; W398-F403 HydrophobicContact CB-CD2 4.08Å; W398-F403 HydrophobicContact CB-CE2 4Å; W398-F403 PolarHBondContact O-N 2.99Å |
| 399 | D | 90.4 | Very high | 89.9 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | I | π-helix | trans | -64 | -50.1 | 173.3 | -62.3 | -56.3 | 0 | 0 | 0 | 110.7 | K383 K394 N395 S396 I397 L401 F403 H404 Q407 | K383-D399 IonicContact NZ-OD1 3.92Å; K383-D399 PolarHBondContact NZ-OD1 2.82Å; K383-D399 IonicContact NZ-OD2 2.71Å; K383-D399 PolarHBondContact NZ-OD2 2.87Å; K394-D399 WeakPolarHBondContact CA-OD2 3.47Å; K394-D399 WeakPolarHBondContact O-CB 3.3Å; N395-D399 PolarHBondContact N-OD2 3.28Å; S396-D399 WeakPolarHBondContact CA-OD2 3.49Å; S396-D399 WeakPolarHBondContact CB-OD2 3.47Å; S396-D399 PolarHBondContact N-OD2 3.48Å; S396-D399 WeakPolarHBondContact O-CB 3.22Å; S396-D399 PolarHBondContact O-N 3.48Å; S396-D399 PolarHBondContact OG-N 3.4Å; S396-D399 VanDerWaalsContact OG-N 3.14Å; S396-D399 PolarHBondContact OG-OD2 2.87Å; I397-D399 VanDerWaalsContact C-N 3.33Å; I397-D399 PolarHBondContact O-N 2.93Å; D399-L401 VanDerWaalsContact C-N 3.35Å; D399-L401 PolarHBondContact O-N 3.4Å; D399-F403 PolarHBondContact O-N 3.08Å; D399-H404 WeakPolarHBondContact O-CB 3.24Å; D399-H404 PolarHBondContact O-N 2.83Å; D399-Q407 PolarHBondContact OD1-NE2 3.09Å |
| 400 | K | 89.4 | Confident | 90 | Very high | 155 Ų | 155 | 56.9 Ų | 56.9 | 67% | 0.674 | 28% | 0.277 | S | S | * | . | I | π-helix | trans | -61.1 | -43 | 179.8 | -64.8 | -178.4 | -177.8 | -177.3 | 0 | 112.1 | S396 I397 H404 | S396-K400 PolarHBondContact O-N 3.42Å; I397-K400 PolarHBondContact O-N 3.2Å; K400-H404 PolarHBondContact O-ND1 3.14Å |
| 401 | L | 87.6 | Confident | 90.3 | Very high | 117 Ų | 117 | 56.8 Ų | 56.8 | 61% | 0.613 | 28% | 0.276 | S | S | * | . | I | π-helix | trans | -80.7 | -39.5 | -174.8 | -65.9 | 176.5 | 0 | 0 | 0 | 113.6 | I397 D399 | I397-L401 HydrophobicContact CD1-CD1 4.43Å; I397-L401 HydrophobicContact CG1-CD1 3.85Å; I397-L401 HydrophobicContact CG1-CG 4.33Å; I397-L401 WeakPolarHBondContact O-CB 3.46Å; I397-L401 VanDerWaalsContact O-CG 3.3Å; I397-L401 WeakPolarHBondContact O-CG 3.34Å; I397-L401 PolarHBondContact O-N 2.89Å; D399-L401 VanDerWaalsContact C-N 3.35Å; D399-L401 PolarHBondContact O-N 3.4Å |
| 402 | I | 90.9 | Very high | 90.5 | Very high | 35 Ų | 35 | 56.7 Ų | 56.7 | 18% | 0.179 | 28% | 0.282 | C | S | . | . | I | π-helix | trans | -124.5 | -55.9 | -165.6 | -61.2 | 165.7 | 0 | 0 | 0 | 111 | L375 L376 A379 W398 | L375-I402 HydrophobicContact CD1-CD1 4.35Å; L375-I402 HydrophobicContact CD2-CD1 4.34Å; L375-I402 HydrophobicContact CG-CD1 3.87Å; L376-I402 HydrophobicContact CD1-CG2 3.79Å; A379-I402 HydrophobicContact CB-CD1 3.31Å; W398-I402 HydrophobicContact CE3-CD1 3.96Å; W398-I402 HydrophobicContact CZ3-CD1 4.43Å; W398-I402 WeakPolarHBondContact O-CA 3.18Å; W398-I402 WeakPolarHBondContact O-CB 3.5Å; W398-I402 PolarHBondContact O-N 3.18Å |
| 403 | F | 93.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | I | π-helix | trans | -84.6 | -11.9 | -165.3 | -57.6 | -61.1 | 0 | 0 | 0 | 115.7 | L376 A379 A380 K383 W398 D399 K405 V406 Q407 F431 A435 | L376-F403 HydrophobicContact CD1-CE1 3.83Å; L376-F403 HydrophobicContact CD1-CZ 4.45Å; A379-F403 HydrophobicContact CB-CE2 4.03Å; A379-F403 HydrophobicContact CB-CZ 4.06Å; A380-F403 HydrophobicContact CB-CZ 4.11Å; K383-F403 HydrophobicContact CD-CD2 3.62Å; K383-F403 HydrophobicContact CD-CE2 3.65Å; K383-F403 HydrophobicContact CG-CD2 4.49Å; K383-F403 HydrophobicContact CG-CE2 4.07Å; W398-F403 HydrophobicContact CB-CD2 4.08Å; W398-F403 HydrophobicContact CB-CE2 4Å; W398-F403 PolarHBondContact O-N 2.99Å; D399-F403 PolarHBondContact O-N 3.08Å; F403-K405 PolarHBondContact O-N 2.84Å; F403-V406 WeakPolarHBondContact O-CB 3.44Å; F403-V406 PolarHBondContact O-N 2.75Å; F403-Q407 WeakPolarHBondContact O-CG 3.41Å; F403-Q407 PolarHBondContact O-N 3.34Å; F403-F431 HydrophobicContact CE1-CZ 4.41Å; F403-A435 VanDerWaalsContact CB-O 3.23Å; F403-A435 WeakPolarHBondContact CB-O 3.46Å; F403-A435 HydrophobicContact CD1-CB 3.46Å; F403-A435 VanDerWaalsContact CD1-CB 3.46Å; F403-A435 HydrophobicContact CE1-CB 3.52Å; F403-A435 HydrophobicContact CG-CB 4.18Å; F403-A435 HydrophobicContact CZ-CB 4.28Å |
| 404 | H | 92.1 | Very high | 91.1 | Very high | 62 Ų | 62 | 56.8 Ų | 56.8 | 29% | 0.287 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -55 | -40.3 | -180 | 74.6 | -88 | 0 | 0 | 0 | 111.5 | D399 K400 V406 Q407 E408 | D399-H404 WeakPolarHBondContact O-CB 3.24Å; D399-H404 PolarHBondContact O-N 2.83Å; K400-H404 PolarHBondContact O-ND1 3.14Å; H404-V406 VanDerWaalsContact C-N 3.31Å; H404-V406 PolarHBondContact O-N 2.93Å; H404-Q407 PolarHBondContact O-N 2.92Å; H404-E408 IonicContact CD2-OE2 2.68Å; H404-E408 VanDerWaalsContact O-CB 3.32Å; H404-E408 WeakPolarHBondContact O-CB 3.33Å; H404-E408 VanDerWaalsContact O-CG 3.3Å; H404-E408 WeakPolarHBondContact O-CG 3.47Å; H404-E408 PolarHBondContact O-N 3.1Å |
| 405 | K | 89.7 | Confident | 91.3 | Very high | 150 Ų | 150 | 57.2 Ų | 57.2 | 65% | 0.652 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -62.5 | -39 | 178.4 | -61.4 | -172.7 | 179.4 | 178.2 | 0 | 112.3 | F403 S409 | F403-K405 PolarHBondContact O-N 2.84Å; K405-S409 PolarHBondContact O-N 3.06Å; K405-S409 VanDerWaalsContact O-N 3.08Å |
| 406 | V | 90.3 | Very high | 91.4 | Very high | 15 Ų | 15 | 52.4 Ų | 52.4 | 9% | 0.091 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.4 | -44.7 | 177.6 | -168.8 | 0 | 0 | 0 | 0 | 109.5 | I359 V363 F403 H404 S409 L436 | I359-V406 HydrophobicContact CG2-CG1 4.27Å; V363-V406 HydrophobicContact CG1-CG2 4.1Å; V363-V406 HydrophobicContact CG2-CB 4.33Å; V363-V406 HydrophobicContact CG2-CG1 3.73Å; V363-V406 HydrophobicContact CG2-CG2 3.61Å; F403-V406 WeakPolarHBondContact O-CB 3.44Å; F403-V406 PolarHBondContact O-N 2.75Å; H404-V406 VanDerWaalsContact C-N 3.31Å; H404-V406 PolarHBondContact O-N 2.93Å; V406-S409 WeakPolarHBondContact O-CB 3.4Å; V406-S409 PolarHBondContact O-N 3.24Å; V406-S409 PolarHBondContact O-OG 2.98Å; V406-L436 HydrophobicContact CG1-CD2 3.68Å |
| 407 | Q | 93.9 | Very high | 91.7 | Very high | 17 Ų | 17 | 52.3 Ų | 52.3 | 8% | 0.079 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.2 | -45.1 | 179.1 | -67.1 | 164.4 | 10.1 | 0 | 0 | 111.5 | D399 F403 H404 S409 L410 G411 G412 A435 | D399-Q407 PolarHBondContact OD1-NE2 3.09Å; F403-Q407 WeakPolarHBondContact O-CG 3.41Å; F403-Q407 PolarHBondContact O-N 3.34Å; H404-Q407 PolarHBondContact O-N 2.92Å; Q407-S409 VanDerWaalsContact C-N 3.28Å; Q407-S409 PolarHBondContact O-N 3.28Å; Q407-L410 CarbonylContact O-C 3.51Å; Q407-L410 PolarHBondContact O-N 3.49Å; Q407-L410 VanDerWaalsContact O-N 3.11Å; Q407-G411 PolarHBondContact O-N 3.3Å; Q407-G412 VanDerWaalsContact O-CA 3.28Å; Q407-G412 WeakPolarHBondContact O-CA 3.48Å; Q407-G412 PolarHBondContact O-N 3.31Å; Q407-A435 PolarHBondContact NE2-O 3.09Å |
| 408 | E | 91.9 | Very high | 91.8 | Very high | 118 Ų | 118 | 47.6 Ų | 47.6 | 55% | 0.551 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -63.7 | -30.5 | 175.9 | -76.4 | 178.9 | 174.3 | 0 | 0 | 113 | H404 L410 G411 | H404-E408 IonicContact CD2-OE2 2.68Å; H404-E408 VanDerWaalsContact O-CB 3.32Å; H404-E408 WeakPolarHBondContact O-CB 3.33Å; H404-E408 VanDerWaalsContact O-CG 3.3Å; H404-E408 WeakPolarHBondContact O-CG 3.47Å; H404-E408 PolarHBondContact O-N 3.1Å; E408-L410 PolarHBondContact O-N 3.46Å; E408-G411 PolarHBondContact O-N 2.93Å |
| 409 | S | 88.1 | Confident | 91.7 | Very high | 46 Ų | 46 | 45.6 Ų | 45.6 | 32% | 0.322 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63 | -23.2 | 174.4 | 82.6 | 0 | 0 | 0 | 0 | 113.2 | K405 V406 Q407 | K405-S409 PolarHBondContact O-N 3.06Å; K405-S409 VanDerWaalsContact O-N 3.08Å; V406-S409 WeakPolarHBondContact O-CB 3.4Å; V406-S409 PolarHBondContact O-N 3.24Å; V406-S409 PolarHBondContact O-OG 2.98Å; Q407-S409 VanDerWaalsContact C-N 3.28Å; Q407-S409 PolarHBondContact O-N 3.28Å |
| 410 | L | 91.2 | Very high | 91.4 | Very high | 12 Ų | 12 | 45.8 Ų | 45.8 | 6% | 0.063 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 17.1 | 172.8 | -54.2 | -176.3 | 0 | 0 | 0 | 112.1 | M341 F349 I359 Q407 E408 V414 L436 | M341-L410 HydrophobicContact CE-CB 3.89Å; M341-L410 HydrophobicContact CE-CD2 4.09Å; F349-L410 HydrophobicContact CD1-CD1 4.37Å; F349-L410 HydrophobicContact CE1-CD1 4.28Å; F349-L410 HydrophobicContact CE1-CD2 4.05Å; I359-L410 HydrophobicContact CD1-CD1 4.41Å; I359-L410 HydrophobicContact CD1-CD2 3.99Å; Q407-L410 CarbonylContact O-C 3.51Å; Q407-L410 PolarHBondContact O-N 3.49Å; Q407-L410 VanDerWaalsContact O-N 3.11Å; E408-L410 PolarHBondContact O-N 3.46Å; L410-V414 HydrophobicContact CB-CG2 4.06Å; L410-V414 WeakPolarHBondContact O-CG2 3.29Å; L410-L436 HydrophobicContact CD1-CD1 3.92Å; L410-L436 HydrophobicContact CD1-CD2 3.67Å; L410-L436 HydrophobicContact CD1-CG 4.44Å |
| 411 | G | 93 | Very high | 90.4 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 4% | 0.041 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | 5.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | M341 Q345 Q407 E408 R413 | M341-G411 WeakPolarHBondContact O-CA 3.31Å; Q345-G411 WeakPolarHBondContact CB-O 2.92Å; Q345-G411 WeakPolarHBondContact CG-O 3.32Å; Q345-G411 PolarHBondContact NE2-O 3.49Å; Q407-G411 PolarHBondContact O-N 3.3Å; E408-G411 PolarHBondContact O-N 2.93Å; G411-R413 PolarHBondContact O-N 2.87Å |
| 412 | G | 93.3 | Very high | 89.4 | Confident | 27 Ų | 27 | 36.7 Ų | 36.7 | 28% | 0.278 | 19% | 0.193 | S | C | . | . | S | Bend | trans | 77.5 | -23.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | K394 Q407 | K394-G412 PolarHBondContact NZ-O 3.03Å; Q407-G412 VanDerWaalsContact O-CA 3.28Å; Q407-G412 WeakPolarHBondContact O-CA 3.48Å; Q407-G412 PolarHBondContact O-N 3.31Å |
| 413 | R | 95.1 | Very high | 88.3 | Confident | 106 Ų | 106 | 38 Ų | 38 | 40% | 0.4 | 21% | 0.205 | S | C | . | . | trans | -98.8 | -4.5 | -172 | -59.6 | -163.5 | -53.8 | 170.1 | -3.5 | 115.9 | L344 Q345 P346 T347 G411 R415 | L344-R413 PolarHBondContact O-NH2 2.62Å; Q345-R413 HydrophobicContact CB-CG 4.16Å; Q345-R413 VanDerWaalsContact CB-NE 3.33Å; Q345-R413 VanDerWaalsContact O-CZ 3.28Å; Q345-R413 PolarHBondContact O-NE 2.77Å; Q345-R413 PolarHBondContact O-NH2 2.9Å; P346-R413 CarbonylContact O-C 3.55Å; T347-R413 HydrophobicContact CG2-CB 4.22Å; G411-R413 PolarHBondContact O-N 2.87Å; R413-R415 PolarHBondContact O-N 3Å; R413-R415 VanDerWaalsContact O-N 3.07Å | ||
| 414 | V | 95.2 | Very high | 87.4 | Confident | 6 Ų | 6 | 38.5 Ų | 38.5 | 4% | 0.036 | 21% | 0.207 | C | C | . | . | trans | -58 | 112.2 | -177.7 | 177.7 | 0 | 0 | 0 | 0 | 111.7 | M341 P346 T347 F349 K394 L410 M417 C438 | M341-V414 HydrophobicContact CE-CG2 4.35Å; P346-V414 HydrophobicContact CG-CG2 4.13Å; P346-V414 VanDerWaalsContact O-CA 3.31Å; P346-V414 WeakPolarHBondContact O-CA 3.4Å; P346-V414 VanDerWaalsContact O-CG2 3.31Å; P346-V414 WeakPolarHBondContact O-CG2 3.31Å; P346-V414 PolarHBondContact O-N 3.4Å; T347-V414 CarbonylContact O-C 3.22Å; F349-V414 HydrophobicContact CB-CG1 3.98Å; F349-V414 HydrophobicContact CB-CG2 4.27Å; K394-V414 WeakPolarHBondContact CE-O 3.39Å; K394-V414 PolarHBondContact NZ-O 3.41Å; L410-V414 HydrophobicContact CB-CG2 4.06Å; L410-V414 WeakPolarHBondContact O-CG2 3.29Å; V414-M417 HydrophobicContact CG1-CG 3.52Å; V414-M417 HydrophobicContact CG1-SD 4.03Å; V414-C438 VanDerWaalsContact O-CB 3.26Å; V414-C438 WeakPolarHBondContact O-CB 3.26Å | ||
| 415 | R | 92.3 | Very high | 86.7 | Confident | 68 Ų | 68 | 36.9 Ų | 36.9 | 26% | 0.257 | 20% | 0.202 | S | C | . | . | trans | -104.1 | -22.1 | 178.8 | 66.9 | -176 | -173.3 | 106.3 | -5.9 | 112.8 | L294 V295 D300 T347 R413 C438 Q439 | L294-R415 HydrophobicContact CD2-CB 4.45Å; L294-R415 HydrophobicContact CD2-CG 4.21Å; V295-R415 PolarHBondContact O-NH2 2.97Å; D300-R415 VanDerWaalsContact CG-NH2 3.25Å; D300-R415 IonicContact OD1-CZ 2.74Å; D300-R415 IonicContact OD1-NE 3.65Å; D300-R415 PolarHBondContact OD1-NE 3.37Å; D300-R415 IonicContact OD1-NH2 2.82Å; D300-R415 PolarHBondContact OD1-NH2 2.86Å; D300-R415 VanDerWaalsContact OD1-NH2 3.14Å; D300-R415 IonicContact OD2-CZ 2.97Å; D300-R415 IonicContact OD2-NE 2.68Å; D300-R415 IonicContact OD2-NH2 3.9Å; D300-R415 PolarHBondContact OD2-NH2 3.44Å; T347-R415 WeakPolarHBondContact O-CG 3.23Å; T347-R415 PolarHBondContact O-N 2.96Å; R413-R415 PolarHBondContact O-N 3Å; R413-R415 VanDerWaalsContact O-N 3.07Å; R415-C438 WeakPolarHBondContact O-CB 3.35Å; R415-Q439 PolarHBondContact O-N 3.33Å | ||
| 416 | M | 91.6 | Very high | 86.4 | Confident | 6 Ų | 6 | 32.6 Ų | 32.6 | 3% | 0.03 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 135.1 | -179.5 | 176.3 | -176.3 | -74 | 0 | 0 | 110.4 | F290 L294 T347 V348 F349 V418 F441 | F290-M416 HydrophobicContact CB-CE 4.28Å; F290-M416 HydrophobicContact CD1-CE 3.97Å; F290-M416 HydrophobicContact CD2-CE 4.01Å; F290-M416 HydrophobicContact CD2-SD 4.42Å; F290-M416 HydrophobicContact CE1-CE 4.2Å; F290-M416 HydrophobicContact CE2-CE 4.21Å; F290-M416 HydrophobicContact CE2-SD 4.11Å; F290-M416 HydrophobicContact CG-CE 3.85Å; F290-M416 HydrophobicContact CZ-CE 4.29Å; F290-M416 HydrophobicContact CZ-SD 4.2Å; L294-M416 HydrophobicContact CB-CE 3.37Å; L294-M416 HydrophobicContact CD1-CB 4.49Å; L294-M416 HydrophobicContact CD1-CE 3.9Å; L294-M416 HydrophobicContact CG-CE 4.22Å; T347-M416 PolarHBondContact O-N 2.64Å; V348-M416 WeakPolarHBondContact CA-O 3.47Å; F349-M416 PolarHBondContact N-O 2.88Å; M416-V418 HydrophobicContact CG-CG2 4.43Å; M416-V418 HydrophobicContact SD-CG2 4.49Å; M416-F441 HydrophobicContact CE-CE2 4.05Å; M416-F441 HydrophobicContact CG-CD2 4.12Å; M416-F441 HydrophobicContact CG-CE2 3.98Å |
| 417 | M | 94.1 | Very high | 86 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 138 | 169.7 | -59.9 | -176.7 | 57.3 | 0 | 0 | 109.2 | F349 V351 L356 V414 L436 Q439 I440 F441 | F349-M417 HydrophobicContact CB-CG 4.18Å; F349-M417 HydrophobicContact CD1-CE 3.47Å; F349-M417 VanDerWaalsContact CD1-CE 3.47Å; F349-M417 HydrophobicContact CD1-CG 4.36Å; F349-M417 HydrophobicContact CD1-SD 4.15Å; F349-M417 HydrophobicContact CE1-CE 3.87Å; F349-M417 HydrophobicContact CG-CE 4.44Å; F349-M417 WeakPolarHBondContact O-CA 3.02Å; V351-M417 HydrophobicContact CB-CE 4.24Å; V351-M417 HydrophobicContact CG1-CE 3.6Å; L356-M417 HydrophobicContact CD2-CE 3.35Å; V414-M417 HydrophobicContact CG1-CG 3.52Å; V414-M417 HydrophobicContact CG1-SD 4.03Å; M417-L436 HydrophobicContact CE-CD1 4.22Å; M417-L436 HydrophobicContact SD-CD1 3.5Å; M417-L436 WeakPolarHBondContact SD-CD1 3.42Å; M417-Q439 PolarHBondContact N-O 3Å; M417-I440 HydrophobicContact CB-CB 4.44Å; M417-I440 HydrophobicContact CB-CG1 4.17Å; M417-I440 HydrophobicContact CB-CG2 4.19Å; M417-I440 WeakPolarHBondContact O-CA 3.42Å; M417-I440 HydrophobicContact SD-CD1 4.37Å; M417-I440 HydrophobicContact SD-CG1 4.32Å; M417-F441 PolarHBondContact O-N 2.93Å |
| 418 | V | 92.6 | Very high | 85.5 | Confident | 11 Ų | 11 | 33.6 Ų | 33.6 | 7% | 0.067 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 129.9 | 173.4 | 179.6 | 0 | 0 | 0 | 0 | 107.6 | F290 F312 F349 V351 M416 F455 | F290-V418 HydrophobicContact CZ-CG2 4.16Å; F312-V418 HydrophobicContact CE2-CB 4.28Å; F312-V418 HydrophobicContact CE2-CG1 3.64Å; F312-V418 HydrophobicContact CZ-CB 4.19Å; F312-V418 HydrophobicContact CZ-CG1 3.78Å; F349-V418 PolarHBondContact O-N 3.14Å; V351-V418 PolarHBondContact N-O 2.96Å; M416-V418 HydrophobicContact CG-CG2 4.43Å; M416-V418 HydrophobicContact SD-CG2 4.49Å; V418-F455 HydrophobicContact CB-CZ 4.3Å; V418-F455 HydrophobicContact CG1-CE2 3.75Å; V418-F455 HydrophobicContact CG1-CZ 3.44Å; V418-F455 VanDerWaalsContact CG1-CZ 3.44Å; V418-F455 HydrophobicContact CG2-CZ 3.94Å |
| 419 | T | 89.3 | Confident | 85.3 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 149.4 | 176.4 | -156.6 | 0 | 0 | 0 | 0 | 112.4 | V351 P353 L356 I440 F441 E442 G443 | V351-T419 WeakPolarHBondContact O-CA 3.39Å; V351-T419 WeakPolarHBondContact O-CB 3.35Å; V351-T419 PolarHBondContact O-OG1 3.17Å; P353-T419 WeakPolarHBondContact CD-OG1 3.3Å; L356-T419 HydrophobicContact CD1-CG2 4.05Å; T419-I440 HydrophobicContact CG2-CG2 4.36Å; T419-F441 PolarHBondContact N-O 2.85Å; T419-E442 HydrophobicContact CG2-CB 4.46Å; T419-E442 HydrophobicContact CG2-CG 4.48Å; T419-E442 WeakPolarHBondContact O-CA 3.31Å; T419-G443 PolarHBondContact O-N 3.04Å |
| 420 | G | 84.1 | Confident | 85.5 | Confident | 6 Ų | 6 | 27.2 Ų | 27.2 | 6% | 0.062 | 17% | 0.166 | C | C | . | . | trans | -177.7 | -159.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | P353 A422 G443 | P353-G420 VanDerWaalsContact CD-O 3.24Å; P353-G420 WeakPolarHBondContact CD-O 3.42Å; G420-A422 PolarHBondContact O-N 2.87Å; G420-G443 WeakPolarHBondContact CA-O 3.27Å | ||
| 421 | A | 68.1 | Low | 85.5 | Confident | 38 Ų | 38 | 27.4 Ų | 27.4 | 31% | 0.314 | 17% | 0.166 | S | C | . | . | S | Bend | trans | 65.8 | -27.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | K661 | A421-K661 WeakPolarHBondContact O-CE 3.21Å; A421-K661 PolarHBondContact O-NZ 2.98Å |
| 422 | A | 66.9 | Low | 85.5 | Confident | 42 Ų | 42 | 27.2 Ų | 27.2 | 35% | 0.347 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -143 | 162.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | P353 G420 | P353-A422 HydrophobicContact CG-CB 4.01Å; P353-A422 WeakPolarHBondContact CG-O 3.49Å; G420-A422 PolarHBondContact O-N 2.87Å |
| 423 | P | 68.4 | Low | 85.5 | Confident | 64 Ų | 64 | 26.5 Ų | 26.5 | 42% | 0.416 | 15% | 0.153 | S | C | . | . | trans | -72.4 | 152.5 | 174.5 | 30.7 | -35.3 | 0 | 0 | 0 | 111.6 | P353 N561 | P353-P423 WeakPolarHBondContact CB-O 3.09Å; P423-N561 WeakPolarHBondContact CG-ND2 3.45Å | ||
| 424 | I | 75.2 | Confident | 85.3 | Confident | 10 Ų | 10 | 21.4 Ų | 21.4 | 5% | 0.051 | 13% | 0.134 | C | C | . | . | trans | -123.5 | 142.8 | 170.2 | -171.4 | 165.6 | 0 | 0 | 0 | 110.3 | P353 L356 V428 L429 | P353-I424 HydrophobicContact CB-CB 4.07Å; P353-I424 HydrophobicContact CB-CG1 4.46Å; P353-I424 HydrophobicContact CG-CB 4.25Å; L356-I424 HydrophobicContact CB-CD1 3.8Å; L356-I424 HydrophobicContact CD1-CD1 3.53Å; L356-I424 HydrophobicContact CG-CD1 4.31Å; I424-V428 HydrophobicContact CD1-CG1 4.05Å; I424-V428 HydrophobicContact CG1-CB 4.39Å; I424-V428 HydrophobicContact CG1-CG1 4.28Å; I424-L429 HydrophobicContact CD1-CB 4.45Å; I424-L429 HydrophobicContact CG2-CB 4.29Å; I424-L429 HydrophobicContact CG2-CD2 4.12Å | ||
| 425 | S | 76.5 | Confident | 85.2 | Confident | 27 Ų | 27 | 21.1 Ų | 21.1 | 19% | 0.189 | 13% | 0.132 | C | C | . | . | trans | -70 | 142.9 | 179.9 | 76.4 | 0 | 0 | 0 | 0 | 111.5 | S427 V428 L429 | S425-S427 VanDerWaalsContact C-N 3.27Å; S425-S427 PolarHBondContact O-N 3.19Å; S425-S427 PolarHBondContact OG-OG 2.82Å; S425-V428 PolarHBondContact O-N 2.76Å; S425-V428 WeakPolarHBondContact OG-CB 3.46Å; S425-V428 WeakPolarHBondContact OG-CG2 3.41Å; S425-V428 PolarHBondContact OG-N 3.04Å; S425-L429 PolarHBondContact O-N 2.91Å | ||
| 426 | P | 83.8 | Confident | 85.3 | Confident | 60 Ų | 60 | 18.1 Ų | 18.1 | 39% | 0.39 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -55.7 | -39.2 | 176.5 | -29.3 | 36.2 | 0 | 0 | 0 | 113.7 | V428 L429 N430 A463 | P426-V428 PolarHBondContact O-N 2.87Å; P426-L429 PolarHBondContact O-N 3.36Å; P426-N430 VanDerWaalsContact O-CB 3.22Å; P426-N430 WeakPolarHBondContact O-CB 3.29Å; P426-N430 PolarHBondContact O-N 2.95Å; P426-N430 PolarHBondContact O-ND2 2.78Å; P426-N430 VanDerWaalsContact O-ND2 3.13Å; P426-N430 PolarHBondContact O-OD1 2.84Å; P426-A463 HydrophobicContact CB-CB 3.85Å; P426-A463 HydrophobicContact CG-CB 4.44Å |
| 427 | S | 81.8 | Confident | 85.1 | Confident | 48 Ų | 48 | 18.2 Ų | 18.2 | 34% | 0.336 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -62.7 | -43.3 | 179.7 | 49.2 | 0 | 0 | 0 | 0 | 112.4 | S425 F431 | S425-S427 VanDerWaalsContact C-N 3.27Å; S425-S427 PolarHBondContact O-N 3.19Å; S425-S427 PolarHBondContact OG-OG 2.82Å; S427-F431 WeakPolarHBondContact O-CB 3.48Å; S427-F431 PolarHBondContact O-N 2.84Å; S427-F431 VanDerWaalsContact O-N 3.13Å |
| 428 | V | 83.8 | Confident | 85 | Confident | 5 Ų | 5 | 18.3 Ų | 18.3 | 3% | 0.03 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68.7 | -47 | 178.8 | 172.5 | 0 | 0 | 0 | 0 | 110.1 | Y360 I424 S425 P426 N430 F431 L432 | Y360-V428 HydrophobicContact CD1-CG2 3.9Å; Y360-V428 HydrophobicContact CD2-CB 4.39Å; Y360-V428 HydrophobicContact CD2-CG1 4.23Å; Y360-V428 HydrophobicContact CD2-CG2 4.13Å; Y360-V428 HydrophobicContact CE1-CG2 4.14Å; Y360-V428 HydrophobicContact CE2-CG2 4.36Å; Y360-V428 HydrophobicContact CG-CB 4.43Å; Y360-V428 HydrophobicContact CG-CG1 4.05Å; Y360-V428 HydrophobicContact CG-CG2 3.92Å; I424-V428 HydrophobicContact CD1-CG1 4.05Å; I424-V428 HydrophobicContact CG1-CB 4.39Å; I424-V428 HydrophobicContact CG1-CG1 4.28Å; S425-V428 PolarHBondContact O-N 2.76Å; S425-V428 WeakPolarHBondContact OG-CB 3.46Å; S425-V428 WeakPolarHBondContact OG-CG2 3.41Å; S425-V428 PolarHBondContact OG-N 3.04Å; P426-V428 PolarHBondContact O-N 2.87Å; V428-N430 PolarHBondContact O-N 2.83Å; V428-F431 PolarHBondContact O-N 3.23Å; V428-L432 HydrophobicContact CG1-CD1 3.6Å; V428-L432 HydrophobicContact CG1-CG 4.24Å; V428-L432 WeakPolarHBondContact O-CB 3.32Å; V428-L432 VanDerWaalsContact O-CG 3.27Å; V428-L432 WeakPolarHBondContact O-CG 3.37Å; V428-L432 PolarHBondContact O-N 2.82Å |
| 429 | L | 88.2 | Confident | 84.8 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.6 | -44.7 | -179.1 | -175.1 | 59.1 | 0 | 0 | 0 | 112 | I424 S425 P426 L432 R433 I440 A463 | I424-L429 HydrophobicContact CD1-CB 4.45Å; I424-L429 HydrophobicContact CG2-CB 4.29Å; I424-L429 HydrophobicContact CG2-CD2 4.12Å; S425-L429 PolarHBondContact O-N 2.91Å; P426-L429 PolarHBondContact O-N 3.36Å; L429-L432 PolarHBondContact O-N 3.34Å; L429-R433 HydrophobicContact CD1-CG 4.49Å; L429-R433 WeakPolarHBondContact O-CB 3.46Å; L429-R433 WeakPolarHBondContact O-CG 3.4Å; L429-R433 PolarHBondContact O-N 2.86Å; L429-I440 HydrophobicContact CD1-CB 3.87Å; L429-I440 HydrophobicContact CD1-CD1 4.39Å; L429-I440 HydrophobicContact CD1-CG2 3.5Å; L429-A463 HydrophobicContact CD2-CB 3.99Å |
| 430 | N | 91.2 | Very high | 85 | Confident | 31 Ų | 31 | 18.8 Ų | 18.8 | 17% | 0.166 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63 | -44.1 | 178.6 | -67.7 | -13.5 | 0 | 0 | 0 | 111.8 | Y384 P426 V428 A434 A463 | Y384-N430 HydrophobicContact CD2-CB 3.98Å; Y384-N430 HydrophobicContact CE1-CB 4.13Å; Y384-N430 HydrophobicContact CE2-CB 3.59Å; Y384-N430 HydrophobicContact CG-CB 4.46Å; Y384-N430 PolarHBondContact OH-ND2 3.26Å; Y384-N430 PolarHBondContact OH-OD1 3.46Å; P426-N430 VanDerWaalsContact O-CB 3.22Å; P426-N430 WeakPolarHBondContact O-CB 3.29Å; P426-N430 PolarHBondContact O-N 2.95Å; P426-N430 PolarHBondContact O-ND2 2.78Å; P426-N430 VanDerWaalsContact O-ND2 3.13Å; P426-N430 PolarHBondContact O-OD1 2.84Å; V428-N430 PolarHBondContact O-N 2.83Å; N430-A434 PolarHBondContact O-N 3.04Å; N430-A463 WeakPolarHBondContact OD1-CB 3.31Å |
| 431 | F | 91.9 | Very high | 85.3 | Confident | 16 Ų | 16 | 18.7 Ų | 18.7 | 7% | 0.07 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60 | -47.4 | 174.6 | 176.2 | -88.9 | 0 | 0 | 0 | 111.5 | Y360 V363 L376 A380 F403 S427 V428 A434 A435 | Y360-F431 HydrophobicContact CD2-CB 3.95Å; Y360-F431 AromaticContact CD2-CD1 3.43Å; Y360-F431 HydrophobicContact CD2-CD1 3.43Å; Y360-F431 VanDerWaalsContact CD2-CD1 3.43Å; Y360-F431 HydrophobicContact CD2-CE1 4.05Å; Y360-F431 AromaticContact CD2-CG 3.74Å; Y360-F431 HydrophobicContact CD2-CG 3.74Å; Y360-F431 HydrophobicContact CE2-CB 3.81Å; Y360-F431 AromaticContact CE2-CD1 3.91Å; Y360-F431 HydrophobicContact CE2-CD1 3.91Å; Y360-F431 HydrophobicContact CE2-CD2 4.25Å; Y360-F431 AromaticContact CE2-CG 3.72Å; Y360-F431 HydrophobicContact CE2-CG 3.72Å; V363-F431 HydrophobicContact CB-CE1 4.29Å; V363-F431 HydrophobicContact CB-CZ 4.32Å; V363-F431 HydrophobicContact CG1-CE1 4.05Å; V363-F431 HydrophobicContact CG1-CZ 3.64Å; L376-F431 HydrophobicContact CD1-CE2 4.13Å; L376-F431 HydrophobicContact CD1-CZ 4.1Å; L376-F431 HydrophobicContact CG-CE2 4.2Å; L376-F431 HydrophobicContact CG-CZ 4.47Å; A380-F431 HydrophobicContact CB-CD2 3.7Å; A380-F431 HydrophobicContact CB-CE2 3.84Å; F403-F431 HydrophobicContact CE1-CZ 4.41Å; S427-F431 WeakPolarHBondContact O-CB 3.48Å; S427-F431 PolarHBondContact O-N 2.84Å; S427-F431 VanDerWaalsContact O-N 3.13Å; V428-F431 PolarHBondContact O-N 3.23Å; F431-A434 WeakPolarHBondContact O-CB 3.4Å; F431-A434 PolarHBondContact O-N 2.85Å; F431-A435 HydrophobicContact CD1-CB 4.24Å; F431-A435 HydrophobicContact CE1-CB 3.88Å; F431-A435 HydrophobicContact CZ-CB 4.2Å; F431-A435 WeakPolarHBondContact O-CB 3.46Å; F431-A435 PolarHBondContact O-N 3.2Å |
| 432 | L | 92.8 | Very high | 86.4 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -67.7 | -38.9 | -176.7 | -70.2 | 170.5 | 0 | 0 | 0 | 112.3 | L356 I359 V428 L429 A434 A435 L436 I440 | L356-L432 HydrophobicContact CB-CD1 3.62Å; L356-L432 HydrophobicContact CD1-CD1 4.47Å; L356-L432 HydrophobicContact CD2-CD1 3.84Å; L356-L432 HydrophobicContact CG-CD1 4.16Å; I359-L432 HydrophobicContact CB-CD2 4.49Å; I359-L432 HydrophobicContact CG2-CD2 3.98Å; V428-L432 HydrophobicContact CG1-CD1 3.6Å; V428-L432 HydrophobicContact CG1-CG 4.24Å; V428-L432 WeakPolarHBondContact O-CB 3.32Å; V428-L432 VanDerWaalsContact O-CG 3.27Å; V428-L432 WeakPolarHBondContact O-CG 3.37Å; V428-L432 PolarHBondContact O-N 2.82Å; L429-L432 PolarHBondContact O-N 3.34Å; L432-A434 VanDerWaalsContact C-N 3.26Å; L432-A434 PolarHBondContact O-N 2.77Å; L432-A435 PolarHBondContact O-N 3.26Å; L432-L436 HydrophobicContact CB-CD1 4.39Å; L432-L436 HydrophobicContact CD2-CD1 4.27Å; L432-L436 VanDerWaalsContact O-CB 3.28Å; L432-L436 WeakPolarHBondContact O-CB 3.26Å; L432-L436 WeakPolarHBondContact O-CG 3.18Å; L432-L436 PolarHBondContact O-N 2.82Å; L432-I440 HydrophobicContact CB-CD1 3.57Å |
| 433 | R | 92.3 | Very high | 87.6 | Confident | 11 Ų | 11 | 15.9 Ų | 15.9 | 4% | 0.042 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -56.3 | -43.7 | 172.3 | -76.3 | 173.1 | 173.5 | 163.3 | -5 | 111.1 | V387 L429 G437 I440 A461 T462 | V387-R433 HydrophobicContact CG1-CB 4.31Å; L429-R433 HydrophobicContact CD1-CG 4.49Å; L429-R433 WeakPolarHBondContact O-CB 3.46Å; L429-R433 WeakPolarHBondContact O-CG 3.4Å; L429-R433 PolarHBondContact O-N 2.86Å; R433-G437 PolarHBondContact O-N 2.82Å; R433-I440 HydrophobicContact CG-CB 3.99Å; R433-I440 HydrophobicContact CG-CD1 4.07Å; R433-I440 HydrophobicContact CG-CG1 4Å; R433-I440 PolarHBondContact NE-O 3.31Å; R433-I440 PolarHBondContact NH2-O 3.12Å; R433-A461 PolarHBondContact NH1-O 3.46Å; R433-T462 PolarHBondContact NH1-O 2.84Å |
| 434 | A | 92.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -67.7 | -54.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | K383 N430 F431 L432 G437 | K383-A434 HydrophobicContact CB-CB 3.79Å; K383-A434 WeakPolarHBondContact CD-O 3.42Å; K383-A434 WeakPolarHBondContact CE-O 3.11Å; K383-A434 PolarHBondContact NZ-O 2.85Å; N430-A434 PolarHBondContact O-N 3.04Å; F431-A434 WeakPolarHBondContact O-CB 3.4Å; F431-A434 PolarHBondContact O-N 2.85Å; L432-A434 VanDerWaalsContact C-N 3.26Å; L432-A434 PolarHBondContact O-N 2.77Å; A434-G437 PolarHBondContact O-N 3.11Å |
| 435 | A | 93.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -66.2 | -44.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F403 Q407 F431 L432 G437 | F403-A435 VanDerWaalsContact CB-O 3.23Å; F403-A435 WeakPolarHBondContact CB-O 3.46Å; F403-A435 HydrophobicContact CD1-CB 3.46Å; F403-A435 VanDerWaalsContact CD1-CB 3.46Å; F403-A435 HydrophobicContact CE1-CB 3.52Å; F403-A435 HydrophobicContact CG-CB 4.18Å; F403-A435 HydrophobicContact CZ-CB 4.28Å; Q407-A435 PolarHBondContact NE2-O 3.09Å; F431-A435 HydrophobicContact CD1-CB 4.24Å; F431-A435 HydrophobicContact CE1-CB 3.88Å; F431-A435 HydrophobicContact CZ-CB 4.2Å; F431-A435 WeakPolarHBondContact O-CB 3.46Å; F431-A435 PolarHBondContact O-N 3.2Å; L432-A435 PolarHBondContact O-N 3.26Å; A435-G437 VanDerWaalsContact C-N 3.34Å |
| 436 | L | 92.8 | Very high | 90.4 | Very high | 5 Ų | 5 | 15 Ų | 15 | 3% | 0.026 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -79.9 | -19.7 | -176.5 | -62.4 | 177.8 | 0 | 0 | 0 | 112.9 | K394 V406 L410 M417 L432 C438 I440 | K394-L436 WeakPolarHBondContact CE-O 3.26Å; V406-L436 HydrophobicContact CG1-CD2 3.68Å; L410-L436 HydrophobicContact CD1-CD1 3.92Å; L410-L436 HydrophobicContact CD1-CD2 3.67Å; L410-L436 HydrophobicContact CD1-CG 4.44Å; M417-L436 HydrophobicContact CE-CD1 4.22Å; M417-L436 HydrophobicContact SD-CD1 3.5Å; M417-L436 WeakPolarHBondContact SD-CD1 3.42Å; L432-L436 HydrophobicContact CB-CD1 4.39Å; L432-L436 HydrophobicContact CD2-CD1 4.27Å; L432-L436 VanDerWaalsContact O-CB 3.28Å; L432-L436 WeakPolarHBondContact O-CB 3.26Å; L432-L436 WeakPolarHBondContact O-CG 3.18Å; L432-L436 PolarHBondContact O-N 2.82Å; L436-C438 PolarHBondContact O-N 3.37Å; L436-I440 HydrophobicContact CD1-CD1 4.3Å |
| 437 | G | 89.1 | Confident | 90.9 | Very high | 7 Ų | 7 | 13 Ų | 13 | 7% | 0.072 | 8% | 0.079 | C | C | . | . | trans | 60.1 | 35.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R393 K394 R433 A434 A435 | R393-G437 VanDerWaalsContact O-CA 3.23Å; R393-G437 WeakPolarHBondContact O-CA 3.44Å; K394-G437 WeakPolarHBondContact CG-O 3.14Å; R433-G437 PolarHBondContact O-N 2.82Å; A434-G437 PolarHBondContact O-N 3.11Å; A435-G437 VanDerWaalsContact C-N 3.34Å | ||
| 438 | C | 90.3 | Very high | 91.6 | Very high | 3 Ų | 3 | 11.5 Ų | 11.5 | 2% | 0.02 | 7% | 0.067 | C | C | . | . | S | Bend | trans | -135.3 | 161.1 | 180 | 72.9 | 0 | 0 | 0 | 0 | 110 | V414 R415 L436 | V414-C438 VanDerWaalsContact O-CB 3.26Å; V414-C438 WeakPolarHBondContact O-CB 3.26Å; R415-C438 WeakPolarHBondContact O-CB 3.35Å; L436-C438 PolarHBondContact O-N 3.37Å |
| 439 | Q | 89.1 | Confident | 92.1 | Very high | 19 Ų | 19 | 11.2 Ų | 11.2 | 9% | 0.089 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 126.3 | 175.6 | -65.6 | -147.6 | 23.5 | 0 | 0 | 110.5 | V38 L294 V392 R415 M417 F441 | V38-Q439 VanDerWaalsContact CG1-NE2 3.28Å; L294-Q439 HydrophobicContact CD1-CB 3.86Å; L294-Q439 HydrophobicContact CD1-CG 3.83Å; V392-Q439 HydrophobicContact CG1-CG 4.26Å; V392-Q439 HydrophobicContact CG2-CG 4.23Å; R415-Q439 PolarHBondContact O-N 3.33Å; M417-Q439 PolarHBondContact N-O 3Å; Q439-F441 HydrophobicContact CB-CD2 4.25Å; Q439-F441 HydrophobicContact CB-CE2 3.52Å; Q439-F441 HydrophobicContact CB-CZ 3.73Å; Q439-F441 HydrophobicContact CG-CZ 4.39Å |
| 440 | I | 92.6 | Very high | 92.5 | Very high | 3 Ų | 3 | 11.2 Ų | 11.2 | 2% | 0.015 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 111.6 | 174.8 | -47.2 | -178.1 | 0 | 0 | 0 | 107.5 | M417 T419 L429 L432 R433 L436 | M417-I440 HydrophobicContact CB-CB 4.44Å; M417-I440 HydrophobicContact CB-CG1 4.17Å; M417-I440 HydrophobicContact CB-CG2 4.19Å; M417-I440 WeakPolarHBondContact O-CA 3.42Å; M417-I440 HydrophobicContact SD-CD1 4.37Å; M417-I440 HydrophobicContact SD-CG1 4.32Å; T419-I440 HydrophobicContact CG2-CG2 4.36Å; L429-I440 HydrophobicContact CD1-CB 3.87Å; L429-I440 HydrophobicContact CD1-CD1 4.39Å; L429-I440 HydrophobicContact CD1-CG2 3.5Å; L432-I440 HydrophobicContact CB-CD1 3.57Å; R433-I440 HydrophobicContact CG-CB 3.99Å; R433-I440 HydrophobicContact CG-CD1 4.07Å; R433-I440 HydrophobicContact CG-CG1 4Å; R433-I440 PolarHBondContact NE-O 3.31Å; R433-I440 PolarHBondContact NH2-O 3.12Å; L436-I440 HydrophobicContact CD1-CD1 4.3Å |
| 441 | F | 92.2 | Very high | 92.7 | Very high | 3 Ų | 3 | 10.5 Ų | 10.5 | 1% | 0.013 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 135.5 | 178.9 | -58.3 | -83.7 | 0 | 0 | 0 | 110.5 | F290 L294 M416 M417 T419 Q439 F455 T456 P458 | F290-F441 HydrophobicContact CD1-CD1 4.45Å; F290-F441 HydrophobicContact CD1-CD2 4.36Å; F290-F441 AromaticContact CD1-CE1 3.99Å; F290-F441 HydrophobicContact CD1-CE1 3.99Å; F290-F441 AromaticContact CD1-CE2 3.91Å; F290-F441 HydrophobicContact CD1-CE2 3.91Å; F290-F441 AromaticContact CD1-CZ 3.69Å; F290-F441 HydrophobicContact CD1-CZ 3.69Å; F290-F441 HydrophobicContact CE1-CB 4.38Å; F290-F441 AromaticContact CE1-CD1 3.74Å; F290-F441 HydrophobicContact CE1-CD1 3.74Å; F290-F441 AromaticContact CE1-CD2 3.47Å; F290-F441 HydrophobicContact CE1-CD2 3.47Å; F290-F441 VanDerWaalsContact CE1-CD2 3.47Å; F290-F441 AromaticContact CE1-CE1 3.71Å; F290-F441 HydrophobicContact CE1-CE1 3.71Å; F290-F441 AromaticContact CE1-CE2 3.47Å; F290-F441 HydrophobicContact CE1-CE2 3.47Å; F290-F441 VanDerWaalsContact CE1-CE2 3.47Å; F290-F441 AromaticContact CE1-CG 3.6Å; F290-F441 HydrophobicContact CE1-CG 3.6Å; F290-F441 AromaticContact CE1-CZ 3.58Å; F290-F441 HydrophobicContact CE1-CZ 3.58Å; F290-F441 HydrophobicContact CZ-CD2 4.03Å; F290-F441 HydrophobicContact CZ-CE2 4.31Å; F290-F441 HydrophobicContact CZ-CG 4.25Å; L294-F441 HydrophobicContact CD1-CE2 4.1Å; L294-F441 HydrophobicContact CD1-CZ 4.19Å; M416-F441 HydrophobicContact CE-CE2 4.05Å; M416-F441 HydrophobicContact CG-CD2 4.12Å; M416-F441 HydrophobicContact CG-CE2 3.98Å; M417-F441 PolarHBondContact O-N 2.93Å; T419-F441 PolarHBondContact N-O 2.85Å; Q439-F441 HydrophobicContact CB-CD2 4.25Å; Q439-F441 HydrophobicContact CB-CE2 3.52Å; Q439-F441 HydrophobicContact CB-CZ 3.73Å; Q439-F441 HydrophobicContact CG-CZ 4.39Å; F441-F455 HydrophobicContact CB-CD1 4.05Å; F441-F455 HydrophobicContact CB-CE1 3.22Å; F441-F455 HydrophobicContact CB-CZ 3.81Å; F441-F455 HydrophobicContact CD1-CD1 4.44Å; F441-F455 HydrophobicContact CD1-CE1 4.08Å; F441-F455 HydrophobicContact CD2-CE1 4.48Å; F441-F455 HydrophobicContact CG-CD1 4.48Å; F441-F455 AromaticContact CG-CE1 3.72Å; F441-F455 HydrophobicContact CG-CE1 3.72Å; F441-T456 VanDerWaalsContact CD1-O 3.32Å; F441-T456 WeakPolarHBondContact CD1-O 3.39Å; F441-P458 HydrophobicContact CE1-CB 4.23Å; F441-P458 HydrophobicContact CE1-CG 3.93Å; F441-P458 HydrophobicContact CZ-CB 4.45Å; F441-P458 HydrophobicContact CZ-CG 4.21Å |
| 442 | E | 91.3 | Very high | 92.8 | Very high | 10 Ų | 10 | 10.2 Ų | 10.2 | 5% | 0.047 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 132.8 | 172.9 | -168.8 | 169 | -177.8 | 0 | 0 | 108.2 | T419 T456 V466 | T419-E442 HydrophobicContact CG2-CB 4.46Å; T419-E442 HydrophobicContact CG2-CG 4.48Å; T419-E442 WeakPolarHBondContact O-CA 3.31Å; E442-T456 PolarHBondContact O-N 3.49Å; E442-T456 PolarHBondContact O-OG1 2.92Å; E442-V466 HydrophobicContact CG-CG1 4.31Å |
| 443 | G | 91.6 | Very high | 92.9 | Very high | 12 Ų | 12 | 10.2 Ų | 10.2 | 12% | 0.124 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 144.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | T419 G420 T454 | T419-G443 PolarHBondContact O-N 3.04Å; G420-G443 WeakPolarHBondContact CA-O 3.27Å; G443-T454 VanDerWaalsContact CA-O 3.27Å; G443-T454 WeakPolarHBondContact CA-O 3.46Å |
| 444 | Y | 94.3 | Very high | 93.1 | Very high | 24 Ų | 24 | 9.7 Ų | 9.7 | 9% | 0.094 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 140.5 | 172.5 | 161.7 | -94.8 | 0 | 0 | 0 | 110.7 | C453 T454 V466 V494 T524 D526 I538 | Y444-C453 PolarHBondContact O-N 3.47Å; Y444-T454 WeakPolarHBondContact CB-OG1 3.45Å; Y444-T454 PolarHBondContact N-O 3.38Å; Y444-T454 PolarHBondContact O-N 2.81Å; Y444-V466 HydrophobicContact CG-CG2 4.31Å; Y444-V494 HydrophobicContact CE1-CG1 4.19Å; Y444-T524 VanDerWaalsContact OH-CB 3.31Å; Y444-T524 WeakPolarHBondContact OH-CB 3.31Å; Y444-T524 PolarHBondContact OH-OG1 3.47Å; Y444-D526 HydrophobicContact CE2-CB 4.36Å; Y444-D526 VanDerWaalsContact CE2-OD2 3.23Å; Y444-D526 WeakPolarHBondContact CE2-OD2 3.2Å; Y444-D526 WeakPolarHBondContact OH-CB 3.47Å; Y444-D526 PolarHBondContact OH-OD2 3.18Å; Y444-I538 HydrophobicContact CD1-CD1 4.03Å; Y444-I538 HydrophobicContact CD2-CD1 3.93Å; Y444-I538 HydrophobicContact CD2-CG1 3.73Å; Y444-I538 HydrophobicContact CE1-CD1 4.02Å; Y444-I538 HydrophobicContact CE2-CD1 3.92Å; Y444-I538 HydrophobicContact CE2-CG1 4.07Å; Y444-I538 HydrophobicContact CG-CD1 3.98Å; Y444-I538 HydrophobicContact CG-CG1 3.98Å |
| 445 | G | 92.6 | Very high | 93.2 | Very high | 24 Ų | 24 | 10.1 Ų | 10.1 | 25% | 0.247 | 6% | 0.064 | C | C | . | . | trans | 173.5 | -172 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | A451 | G445-A451 CarbonylContact C-O 3.56Å; G445-A451 WeakPolarHBondContact CA-O 3.49Å | ||
| 446 | Q | 92.6 | Very high | 93.2 | Very high | 35 Ų | 35 | 10.2 Ų | 10.2 | 16% | 0.164 | 6% | 0.064 | C | C | . | . | trans | -147.7 | 169.3 | -175.6 | 56.6 | 178.9 | -9.8 | 0 | 0 | 110 | E448 C449 A450 A451 | Q446-E448 HydrophobicContact CG-CB 4.21Å; Q446-E448 PolarHBondContact O-N 3.37Å; Q446-C449 PolarHBondContact N-SG 3.26Å; Q446-C449 CarbonylContact O-C 3.47Å; Q446-C449 PolarHBondContact O-N 3.32Å; Q446-C449 PolarHBondContact O-SG 3.08Å; Q446-A450 CarbonylContact O-C 3.52Å; Q446-A451 PolarHBondContact N-O 3.16Å | ||
| 447 | T | 92.8 | Very high | 93.2 | Very high | 18 Ų | 18 | 10 Ų | 10 | 11% | 0.11 | 6% | 0.063 | C | C | . | . | G | 310 helix | trans | -56.5 | -37.5 | 179.7 | -56 | 0 | 0 | 0 | 0 | 112 | C260 T262 A272 L274 M311 C449 A450 | C260-T447 HydrophobicContact CB-CG2 3.49Å; C260-T447 VanDerWaalsContact CB-CG2 3.49Å; T262-T447 HydrophobicContact CG2-CG2 3.87Å; T262-T447 WeakPolarHBondContact CG2-OG1 3.21Å; A272-T447 HydrophobicContact CB-CG2 3.7Å; L274-T447 HydrophobicContact CD1-CG2 4.47Å; M311-T447 HydrophobicContact CG-CG2 3.93Å; T447-C449 PolarHBondContact O-N 2.89Å; T447-C449 VanDerWaalsContact O-N 3.17Å; T447-A450 WeakPolarHBondContact O-CA 3.38Å; T447-A450 PolarHBondContact O-N 3.1Å |
| 448 | E | 96.4 | Very high | 93.3 | Very high | 15 Ų | 15 | 9.7 Ų | 9.7 | 7% | 0.07 | 6% | 0.06 | C | C | . | . | G | 310 helix | trans | -65.5 | -14.2 | -179.7 | -67 | 86.3 | 163.9 | 0 | 0 | 113.5 | Q446 F502 Y505 L522 | Q446-E448 HydrophobicContact CG-CB 4.21Å; Q446-E448 PolarHBondContact O-N 3.37Å; E448-F502 HydrophobicContact CB-CD1 4.03Å; E448-F502 HydrophobicContact CB-CD2 4.02Å; E448-F502 HydrophobicContact CB-CE1 3.98Å; E448-F502 HydrophobicContact CB-CE2 3.98Å; E448-F502 HydrophobicContact CB-CG 4.06Å; E448-F502 HydrophobicContact CB-CZ 3.97Å; E448-F502 HydrophobicContact CG-CD2 3.8Å; E448-F502 HydrophobicContact CG-CE1 4.18Å; E448-F502 HydrophobicContact CG-CE2 3.41Å; E448-F502 VanDerWaalsContact CG-CE2 3.41Å; E448-F502 HydrophobicContact CG-CG 4.36Å; E448-F502 HydrophobicContact CG-CZ 3.63Å; E448-F502 WeakPolarHBondContact O-CB 3.45Å; E448-F502 VanDerWaalsContact O-CD1 3.3Å; E448-F502 WeakPolarHBondContact O-CD1 3.49Å; E448-F502 WeakPolarHBondContact O-CG 3.24Å; E448-F502 PolarHBondContact O-N 3.38Å; E448-Y505 HydrophobicContact CG-CE1 4.04Å; E448-Y505 WeakPolarHBondContact OE1-CE1 3.43Å; E448-Y505 PolarHBondContact OE1-OH 3.32Å; E448-L522 HydrophobicContact CB-CD1 3.82Å; E448-L522 HydrophobicContact CB-CD2 3.7Å; E448-L522 HydrophobicContact CB-CG 4.41Å; E448-L522 HydrophobicContact CG-CD1 4.44Å |
| 449 | C | 95.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 7% | 0.066 | C | C | . | . | G | 310 helix | trans | -118 | 38.5 | 169.6 | 67.8 | 0 | 0 | 0 | 0 | 112.1 | Q446 T447 A451 I496 N500 L522 | Q446-C449 PolarHBondContact N-SG 3.26Å; Q446-C449 CarbonylContact O-C 3.47Å; Q446-C449 PolarHBondContact O-N 3.32Å; Q446-C449 PolarHBondContact O-SG 3.08Å; T447-C449 PolarHBondContact O-N 2.89Å; T447-C449 VanDerWaalsContact O-N 3.17Å; C449-A451 VanDerWaalsContact C-N 3.34Å; C449-A451 PolarHBondContact O-N 3.31Å; C449-I496 HydrophobicContact CB-CD1 4.42Å; C449-N500 CarbonylContact C-O 3.58Å; C449-N500 WeakPolarHBondContact CA-O 3.22Å; C449-N500 PolarHBondContact O-ND2 2.95Å; C449-L522 HydrophobicContact CB-CD2 3.96Å |
| 450 | A | 96.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 7% | 0.065 | C | C | . | . | S | Bend | trans | 64.7 | -78.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L274 D282 M311 I315 Q446 T447 N500 | L274-A450 HydrophobicContact CD2-CB 4.2Å; D282-A450 HydrophobicContact CB-CB 3.96Å; M311-A450 WeakPolarHBondContact CB-O 3.45Å; M311-A450 HydrophobicContact CE-CB 4.4Å; M311-A450 WeakPolarHBondContact CG-O 3.42Å; I315-A450 HydrophobicContact CD1-CB 4.46Å; Q446-A450 CarbonylContact O-C 3.52Å; T447-A450 WeakPolarHBondContact O-CA 3.38Å; T447-A450 PolarHBondContact O-N 3.1Å; A450-N500 HydrophobicContact CB-CB 4.28Å; A450-N500 PolarHBondContact N-O 2.89Å |
| 451 | A | 94.3 | Very high | 93 | Very high | 15 Ų | 15 | 10.2 Ų | 10.2 | 12% | 0.124 | 7% | 0.068 | C | C | . | . | S | Bend | trans | -148.1 | -54 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D282 M311 I315 G445 Q446 C449 | D282-A451 PolarHBondContact OD1-N 3.47Å; D282-A451 VanDerWaalsContact OD1-N 3.11Å; M311-A451 HydrophobicContact CB-CB 4.03Å; I315-A451 HydrophobicContact CB-CB 4.15Å; I315-A451 HydrophobicContact CG1-CB 3.57Å; G445-A451 CarbonylContact C-O 3.56Å; G445-A451 WeakPolarHBondContact CA-O 3.49Å; Q446-A451 PolarHBondContact N-O 3.16Å; C449-A451 VanDerWaalsContact C-N 3.34Å; C449-A451 PolarHBondContact O-N 3.31Å |
| 452 | A | 94.1 | Very high | 92.9 | Very high | 11 Ų | 11 | 13.7 Ų | 13.7 | 9% | 0.091 | 9% | 0.09 | C | C | . | . | trans | -104.1 | 146.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | D282 V286 F455 L470 N500 | D282-A452 PolarHBondContact OD1-N 3.02Å; V286-A452 HydrophobicContact CG2-CB 4.32Å; A452-F455 HydrophobicContact CB-CD2 4.32Å; A452-L470 HydrophobicContact CB-CD1 3.59Å; A452-N500 PolarHBondContact O-ND2 2.89Å | ||
| 453 | C | 95.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -128.6 | -38.2 | 172.1 | 171.9 | 0 | 0 | 0 | 0 | 110.7 | Y444 P469 L470 V475 I496 | Y444-C453 PolarHBondContact O-N 3.47Å; C453-P469 CarbonylContact O-C 3.57Å; C453-P469 WeakPolarHBondContact O-CA 3.3Å; C453-L470 PolarHBondContact O-N 3.23Å; C453-V475 VanDerWaalsContact SG-CG2 3.59Å; C453-I496 HydrophobicContact CB-CD1 3.68Å; C453-I496 HydrophobicContact CB-CG1 4.43Å; C453-I496 HydrophobicContact CB-CG2 4.46Å; C453-I496 WeakPolarHBondContact SG-CD1 3.43Å; C453-I496 WeakPolarHBondContact SG-CG1 3.42Å; C453-I496 WeakPolarHBondContact SG-CG2 3.19Å |
| 454 | T | 96.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 151.8 | 172.8 | 62 | 0 | 0 | 0 | 0 | 110.8 | G443 Y444 V466 V468 V475 L536 | G443-T454 VanDerWaalsContact CA-O 3.27Å; G443-T454 WeakPolarHBondContact CA-O 3.46Å; Y444-T454 WeakPolarHBondContact CB-OG1 3.45Å; Y444-T454 PolarHBondContact N-O 3.38Å; Y444-T454 PolarHBondContact O-N 2.81Å; T454-V466 CarbonylContact C-O 3.43Å; T454-V466 VanDerWaalsContact C-O 3.31Å; T454-V466 WeakPolarHBondContact OG1-CG2 3.42Å; T454-V466 PolarHBondContact OG1-O 2.84Å; T454-V468 CarbonylContact C-O 3.57Å; T454-V468 WeakPolarHBondContact CA-O 3.38Å; T454-V468 WeakPolarHBondContact CB-O 3.19Å; T454-V475 HydrophobicContact CG2-CG2 4.36Å; T454-L536 HydrophobicContact CG2-CB 4.47Å; T454-L536 HydrophobicContact CG2-CD2 3.86Å |
| 455 | F | 94.3 | Very high | 92.3 | Very high | 8 Ų | 8 | 13.9 Ų | 13.9 | 4% | 0.035 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 138.8 | -174.9 | -140.5 | -90.9 | 0 | 0 | 0 | 111.5 | T289 F290 V418 F441 A452 V466 G467 V468 L470 | T289-F455 HydrophobicContact CG2-CB 4.45Å; T289-F455 HydrophobicContact CG2-CD1 4.31Å; F290-F455 HydrophobicContact CE1-CD1 4.05Å; F290-F455 AromaticContact CE1-CE1 3.37Å; F290-F455 HydrophobicContact CE1-CE1 3.37Å; F290-F455 HydrophobicContact CE1-CZ 4.18Å; F290-F455 HydrophobicContact CE2-CE1 4.29Å; F290-F455 HydrophobicContact CE2-CZ 4.4Å; F290-F455 HydrophobicContact CZ-CD1 4.1Å; F290-F455 AromaticContact CZ-CE1 3.16Å; F290-F455 HydrophobicContact CZ-CE1 3.16Å; F290-F455 AromaticContact CZ-CZ 3.5Å; F290-F455 HydrophobicContact CZ-CZ 3.5Å; F290-F455 VanDerWaalsContact CZ-CZ 3.5Å; V418-F455 HydrophobicContact CB-CZ 4.3Å; V418-F455 HydrophobicContact CG1-CE2 3.75Å; V418-F455 HydrophobicContact CG1-CZ 3.44Å; V418-F455 VanDerWaalsContact CG1-CZ 3.44Å; V418-F455 HydrophobicContact CG2-CZ 3.94Å; F441-F455 HydrophobicContact CB-CD1 4.05Å; F441-F455 HydrophobicContact CB-CE1 3.22Å; F441-F455 HydrophobicContact CB-CZ 3.81Å; F441-F455 HydrophobicContact CD1-CD1 4.44Å; F441-F455 HydrophobicContact CD1-CE1 4.08Å; F441-F455 HydrophobicContact CD2-CE1 4.48Å; F441-F455 HydrophobicContact CG-CD1 4.48Å; F441-F455 AromaticContact CG-CE1 3.72Å; F441-F455 HydrophobicContact CG-CE1 3.72Å; A452-F455 HydrophobicContact CB-CD2 4.32Å; F455-V466 CarbonylContact C-O 3.59Å; F455-V466 WeakPolarHBondContact CA-O 3.29Å; F455-V466 PolarHBondContact N-O 3.35Å; F455-V466 VanDerWaalsContact N-O 3.12Å; F455-G467 WeakPolarHBondContact O-CA 3.42Å; F455-V468 PolarHBondContact N-O 2.58Å; F455-V468 PolarHBondContact O-N 3.4Å; F455-L470 HydrophobicContact CB-CD2 3.74Å; F455-L470 HydrophobicContact CB-CG 4.42Å; F455-L470 HydrophobicContact CG-CD2 4.41Å |
| 456 | T | 94.1 | Very high | 92.4 | Very high | 2 Ų | 2 | 13.3 Ų | 13.3 | 1% | 0.012 | 9% | 0.09 | C | C | . | . | P | Polyproline II helix | trans | -67.2 | 136.8 | 174.2 | -62.5 | 0 | 0 | 0 | 0 | 110.9 | F441 E442 D460 | F441-T456 VanDerWaalsContact CD1-O 3.32Å; F441-T456 WeakPolarHBondContact CD1-O 3.39Å; E442-T456 PolarHBondContact O-N 3.49Å; E442-T456 PolarHBondContact O-OG1 2.92Å; T456-D460 HydrophobicContact CG2-CB 3.85Å |
| 457 | L | 92.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 11.7 Ų | 11.7 | 1% | 0.005 | 8% | 0.082 | C | C | . | . | P | Polyproline II helix | trans | -77.3 | 149.8 | -178.9 | -65.7 | -172.2 | 0 | 0 | 0 | 112.2 | P41 A42 L44 Q47 M60 T289 G459 D460 V468 | P41-L457 HydrophobicContact CG-CD1 4.43Å; P41-L457 HydrophobicContact CG-CD2 4.13Å; A42-L457 HydrophobicContact CB-CD1 3.93Å; L44-L457 HydrophobicContact CD2-CB 4.46Å; Q47-L457 HydrophobicContact CB-CD1 4.14Å; Q47-L457 HydrophobicContact CG-CD1 4.16Å; M60-L457 HydrophobicContact CE-CD2 3.79Å; M60-L457 HydrophobicContact SD-CD2 4.02Å; T289-L457 HydrophobicContact CG2-CD2 3.84Å; L457-G459 PolarHBondContact O-N 3.06Å; L457-D460 VanDerWaalsContact O-CB 3.3Å; L457-D460 WeakPolarHBondContact O-CB 3.09Å; L457-D460 PolarHBondContact O-N 3.24Å; L457-D460 VanDerWaalsContact O-N 3.14Å; L457-V468 HydrophobicContact CD1-CG2 4.36Å; L457-V468 HydrophobicContact CD2-CG2 3.7Å; L457-V468 HydrophobicContact CG-CG2 3.96Å |
| 458 | P | 90.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 140.8 | 169.1 | -24.4 | 32.6 | 0 | 0 | 0 | 112.5 | V38 S40 T289 F290 A293 F441 D460 | V38-P458 HydrophobicContact CG1-CB 4.07Å; S40-P458 WeakPolarHBondContact CA-O 3.35Å; S40-P458 WeakPolarHBondContact CB-O 3.48Å; S40-P458 PolarHBondContact OG-O 3.24Å; T289-P458 VanDerWaalsContact O-CD 3.29Å; T289-P458 WeakPolarHBondContact O-CD 3.38Å; T289-P458 VanDerWaalsContact O-CG 3.31Å; T289-P458 WeakPolarHBondContact O-CG 3.37Å; F290-P458 HydrophobicContact CD1-CG 4.48Å; A293-P458 HydrophobicContact CB-CB 3.41Å; A293-P458 VanDerWaalsContact CB-CB 3.41Å; A293-P458 HydrophobicContact CB-CG 3.84Å; F441-P458 HydrophobicContact CE1-CB 4.23Å; F441-P458 HydrophobicContact CE1-CG 3.93Å; F441-P458 HydrophobicContact CZ-CB 4.45Å; F441-P458 HydrophobicContact CZ-CG 4.21Å; P458-D460 PolarHBondContact O-N 2.93Å |
| 459 | G | 87.1 | Confident | 92.7 | Very high | 14 Ų | 14 | 10.2 Ų | 10.2 | 14% | 0.144 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | -7.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | L457 A461 | L457-G459 PolarHBondContact O-N 3.06Å; G459-A461 PolarHBondContact O-N 3.16Å |
| 460 | D | 90.5 | Very high | 92.7 | Very high | 12 Ų | 12 | 10.2 Ų | 10.2 | 6% | 0.064 | 7% | 0.074 | C | C | . | . | trans | -77.3 | 105.4 | 171.9 | -165.6 | -14.2 | 0 | 0 | 0 | 110.5 | L44 Q47 T456 L457 P458 T462 H465 | L44-D460 HydrophobicContact CD2-CB 3.76Å; Q47-D460 PolarHBondContact NE2-OD2 2.9Å; T456-D460 HydrophobicContact CG2-CB 3.85Å; L457-D460 VanDerWaalsContact O-CB 3.3Å; L457-D460 WeakPolarHBondContact O-CB 3.09Å; L457-D460 PolarHBondContact O-N 3.24Å; L457-D460 VanDerWaalsContact O-N 3.14Å; P458-D460 PolarHBondContact O-N 2.93Å; D460-T462 VanDerWaalsContact C-N 3.31Å; D460-T462 WeakPolarHBondContact OD1-CB 3.49Å; D460-T462 PolarHBondContact OD1-N 2.75Å; D460-T462 PolarHBondContact OD1-OG1 3.48Å; D460-H465 IonicContact OD2-CE1 3.29Å; D460-H465 PolarHBondContact OD2-CE1 3.36Å; D460-H465 IonicContact OD2-NE2 3.9Å | ||
| 461 | A | 88.5 | Confident | 92.6 | Very high | 11 Ų | 11 | 10.2 Ų | 10.2 | 9% | 0.091 | 7% | 0.074 | C | C | . | . | trans | -82.4 | -10.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y384 V387 K388 R433 G459 | Y384-A461 PolarHBondContact OH-O 2.84Å; V387-A461 HydrophobicContact CG1-CB 4.02Å; K388-A461 HydrophobicContact CG-CB 4.29Å; R433-A461 PolarHBondContact NH1-O 3.46Å; G459-A461 PolarHBondContact O-N 3.16Å | ||
| 462 | T | 89.3 | Confident | 92.7 | Very high | 76 Ų | 76 | 9.5 Ų | 9.5 | 47% | 0.466 | 7% | 0.068 | S | C | . | . | trans | -72.1 | 156.1 | -177.8 | 69.7 | 0 | 0 | 0 | 0 | 111.1 | R433 D460 H465 | R433-T462 PolarHBondContact NH1-O 2.84Å; D460-T462 VanDerWaalsContact C-N 3.31Å; D460-T462 WeakPolarHBondContact OD1-CB 3.49Å; D460-T462 PolarHBondContact OD1-N 2.75Å; D460-T462 PolarHBondContact OD1-OG1 3.48Å; T462-H465 PolarHBondContact O-NE2 2.82Å; T462-H465 PolarHBondContact OG1-NE2 3.09Å | ||
| 463 | A | 88.4 | Confident | 92.8 | Very high | 27 Ų | 27 | 9 Ų | 9 | 22% | 0.223 | 6% | 0.064 | C | C | . | . | trans | -138.6 | 163.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | P426 L429 N430 | P426-A463 HydrophobicContact CB-CB 3.85Å; P426-A463 HydrophobicContact CG-CB 4.44Å; L429-A463 HydrophobicContact CD2-CB 3.99Å; N430-A463 WeakPolarHBondContact OD1-CB 3.31Å | ||
| 464 | G | 84.6 | Confident | 92.9 | Very high | 19 Ų | 19 | 10.4 Ų | 10.4 | 20% | 0.196 | 7% | 0.07 | C | C | . | . | S | Bend | trans | 81.9 | 25.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | K537 | G464-K537 VanDerWaalsContact O-CD 3.26Å; G464-K537 WeakPolarHBondContact O-CD 3.22Å; G464-K537 WeakPolarHBondContact O-CE 3.37Å; G464-K537 VanDerWaalsContact O-CG 3.29Å; G464-K537 WeakPolarHBondContact O-CG 3.46Å |
| 465 | H | 92.9 | Very high | 93 | Very high | 4 Ų | 4 | 10.4 Ų | 10.4 | 2% | 0.019 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -145.7 | 161.1 | 172.1 | 67.3 | 83.7 | 0 | 0 | 0 | 108.9 | D460 T462 G467 L531 V535 L536 K537 | D460-H465 IonicContact OD2-CE1 3.29Å; D460-H465 PolarHBondContact OD2-CE1 3.36Å; D460-H465 IonicContact OD2-NE2 3.9Å; T462-H465 PolarHBondContact O-NE2 2.82Å; T462-H465 PolarHBondContact OG1-NE2 3.09Å; H465-G467 PolarHBondContact ND1-N 2.82Å; H465-G467 VanDerWaalsContact ND1-N 3.17Å; H465-L531 HydrophobicContact CB-CD1 4.13Å; H465-V535 HydrophobicContact CB-CB 4.35Å; H465-V535 HydrophobicContact CB-CG2 3.74Å; H465-L536 WeakPolarHBondContact CB-O 3.22Å; H465-K537 HydrophobicContact CB-CB 4.45Å |
| 466 | V | 93.3 | Very high | 93.1 | Very high | 12 Ų | 12 | 11.5 Ų | 11.5 | 7% | 0.073 | 8% | 0.075 | C | C | . | . | trans | -105.2 | 8.5 | -178 | -63.2 | 0 | 0 | 0 | 0 | 112.7 | E442 Y444 T454 F455 L536 I538 | E442-V466 HydrophobicContact CG-CG1 4.31Å; Y444-V466 HydrophobicContact CG-CG2 4.31Å; T454-V466 CarbonylContact C-O 3.43Å; T454-V466 VanDerWaalsContact C-O 3.31Å; T454-V466 WeakPolarHBondContact OG1-CG2 3.42Å; T454-V466 PolarHBondContact OG1-O 2.84Å; F455-V466 CarbonylContact C-O 3.59Å; F455-V466 WeakPolarHBondContact CA-O 3.29Å; F455-V466 PolarHBondContact N-O 3.35Å; F455-V466 VanDerWaalsContact N-O 3.12Å; V466-L536 HydrophobicContact CG2-CB 4.06Å; V466-L536 HydrophobicContact CG2-CD2 4.21Å; V466-L536 HydrophobicContact CG2-CG 4.16Å; V466-L536 VanDerWaalsContact CG2-O 3.24Å; V466-L536 WeakPolarHBondContact CG2-O 3.27Å; V466-L536 PolarHBondContact N-O 3.37Å; V466-I538 HydrophobicContact CG1-CG1 4.2Å; V466-I538 HydrophobicContact CG2-CD1 4.29Å; V466-I538 HydrophobicContact CG2-CG1 3.99Å | ||
| 467 | G | 95.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 8% | 0.078 | C | C | . | . | B | Isolated β-bridge | trans | 88.7 | -142.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F455 H465 V535 L536 | F455-G467 WeakPolarHBondContact O-CA 3.42Å; H465-G467 PolarHBondContact ND1-N 2.82Å; H465-G467 VanDerWaalsContact ND1-N 3.17Å; G467-V535 CarbonylContact O-C 2.82Å; G467-V535 WeakPolarHBondContact O-CA 3.48Å; G467-L536 PolarHBondContact O-N 2.91Å |
| 468 | V | 95.9 | Very high | 93.4 | Very high | 2 Ų | 2 | 14.2 Ų | 14.2 | 1% | 0.012 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 157.8 | -172.1 | -61 | 0 | 0 | 0 | 0 | 112.1 | Q47 T48 T454 F455 L457 L470 V535 | Q47-V468 HydrophobicContact CB-CG1 3.36Å; Q47-V468 HydrophobicContact CG-CG1 4.46Å; T48-V468 HydrophobicContact CG2-CB 3.66Å; T48-V468 HydrophobicContact CG2-CG1 3.52Å; T454-V468 CarbonylContact C-O 3.57Å; T454-V468 WeakPolarHBondContact CA-O 3.38Å; T454-V468 WeakPolarHBondContact CB-O 3.19Å; F455-V468 PolarHBondContact N-O 2.58Å; F455-V468 PolarHBondContact O-N 3.4Å; L457-V468 HydrophobicContact CD1-CG2 4.36Å; L457-V468 HydrophobicContact CD2-CG2 3.7Å; L457-V468 HydrophobicContact CG-CG2 3.96Å; V468-L470 PolarHBondContact O-N 2.81Å; V468-V535 HydrophobicContact CG1-CG1 4.03Å |
| 469 | P | 97 | Very high | 93.6 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -48.9 | 133.3 | 171.7 | -28.1 | 37.3 | 0 | 0 | 0 | 111.6 | T48 T58 C453 N473 V475 W530 | T48-P469 HydrophobicContact CG2-CG 4.49Å; T58-P469 WeakPolarHBondContact CB-O 3.16Å; T58-P469 WeakPolarHBondContact CG2-O 3.49Å; C453-P469 CarbonylContact O-C 3.57Å; C453-P469 WeakPolarHBondContact O-CA 3.3Å; P469-N473 HydrophobicContact CB-CB 4.39Å; P469-V475 HydrophobicContact CB-CG2 3.91Å; P469-V475 HydrophobicContact CG-CB 3.88Å; P469-V475 HydrophobicContact CG-CG2 3.7Å; P469-W530 HydrophobicContact CG-CH2 4.09Å |
| 470 | L | 96.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.102 | C | C | . | . | trans | -60.7 | 153.1 | 171.3 | -78.1 | -179.4 | 0 | 0 | 0 | 110.1 | D282 A285 V286 T289 A452 C453 F455 V468 C472 N473 | D282-L470 WeakPolarHBondContact OD2-CD1 3.38Å; A285-L470 HydrophobicContact CB-CB 3.94Å; A285-L470 HydrophobicContact CB-CD1 4.41Å; A285-L470 HydrophobicContact CB-CD2 4.49Å; V286-L470 HydrophobicContact CG2-CD1 3.9Å; V286-L470 HydrophobicContact CG2-CD2 4.26Å; T289-L470 WeakPolarHBondContact OG1-CD2 3.4Å; A452-L470 HydrophobicContact CB-CD1 3.59Å; C453-L470 PolarHBondContact O-N 3.23Å; F455-L470 HydrophobicContact CB-CD2 3.74Å; F455-L470 HydrophobicContact CB-CG 4.42Å; F455-L470 HydrophobicContact CG-CD2 4.41Å; V468-L470 PolarHBondContact O-N 2.81Å; L470-C472 PolarHBondContact O-N 3.14Å; L470-N473 PolarHBondContact O-N 2.87Å | ||
| 471 | P | 95.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -17.3 | 175.7 | -31.1 | 34.6 | 0 | 0 | 0 | 116.3 | T58 M60 L61 L67 M68 A285 R288 | T58-P471 HydrophobicContact CG2-CG 4.12Å; M60-P471 HydrophobicContact CE-CG 3.93Å; L61-P471 HydrophobicContact CD1-CB 4.26Å; L61-P471 WeakPolarHBondContact CD1-O 3.3Å; L61-P471 HydrophobicContact CD2-CB 4.23Å; L61-P471 HydrophobicContact CG-CB 4.36Å; L67-P471 WeakPolarHBondContact CA-O 3.48Å; M68-P471 HydrophobicContact CB-CB 3.96Å; M68-P471 PolarHBondContact N-O 2.97Å; M68-P471 HydrophobicContact SD-CB 4.22Å; A285-P471 HydrophobicContact CB-CB 4.16Å; A285-P471 HydrophobicContact CB-CG 4.37Å; R288-P471 HydrophobicContact CB-CG 4.15Å; R288-P471 HydrophobicContact CG-CB 4.4Å; R288-P471 HydrophobicContact CG-CG 3.81Å |
| 472 | C | 96.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 4.6 | 173.9 | 61 | 0 | 0 | 0 | 0 | 113.9 | M68 A281 A285 L470 G498 T499 | M68-C472 WeakPolarHBondContact O-CB 3.23Å; A281-C472 HydrophobicContact CB-CB 4.29Å; A285-C472 HydrophobicContact CB-CB 3.83Å; A285-C472 WeakPolarHBondContact CB-SG 3.46Å; L470-C472 PolarHBondContact O-N 3.14Å; C472-G498 WeakPolarHBondContact O-CA 3.49Å; C472-T499 PolarHBondContact O-N 2.63Å |
| 473 | N | 96.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 143.8 | -172.2 | -70.8 | 120.4 | 0 | 0 | 0 | 115.5 | P469 L470 I496 K497 N500 | P469-N473 HydrophobicContact CB-CB 4.39Å; L470-N473 PolarHBondContact O-N 2.87Å; N473-I496 HydrophobicContact CB-CG2 4.49Å; N473-I496 WeakPolarHBondContact ND2-CG2 3.33Å; N473-K497 CarbonylContact C-O 3.06Å; N473-K497 WeakPolarHBondContact CA-O 3.44Å; N473-N500 PolarHBondContact ND2-OD1 3.31Å; N473-N500 PolarHBondContact OD1-ND2 3.02Å; N473-N500 PolarHBondContact OD1-OD1 2.79Å |
| 474 | F | 96.7 | Very high | 91.8 | Very high | 31 Ų | 31 | 28.1 Ų | 28.1 | 14% | 0.136 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 144.1 | 150.4 | -61.2 | -65.1 | 0 | 0 | 0 | 109.6 | V51 R56 K57 N65 L67 K497 W521 | V51-F474 HydrophobicContact CG1-CD1 4.48Å; V51-F474 HydrophobicContact CG1-CE1 4.12Å; V51-F474 HydrophobicContact CG2-CD1 3.99Å; V51-F474 HydrophobicContact CG2-CE1 3.95Å; R56-F474 WeakPolarHBondContact O-CA 3.17Å; K57-F474 HydrophobicContact CB-CD1 3.85Å; K57-F474 HydrophobicContact CB-CE1 3.9Å; K57-F474 HydrophobicContact CD-CE1 4.06Å; K57-F474 HydrophobicContact CG-CE1 4.43Å; N65-F474 HydrophobicContact CB-CZ 4.47Å; N65-F474 WeakPolarHBondContact O-CZ 3.43Å; L67-F474 HydrophobicContact CD1-CD2 3.68Å; L67-F474 HydrophobicContact CD1-CE2 3.62Å; L67-F474 HydrophobicContact CD1-CZ 4.49Å; L67-F474 HydrophobicContact CD2-CD1 4.31Å; L67-F474 HydrophobicContact CD2-CD2 3.92Å; L67-F474 HydrophobicContact CD2-CE1 4.05Å; L67-F474 HydrophobicContact CD2-CE2 3.64Å; L67-F474 HydrophobicContact CD2-CG 4.25Å; L67-F474 HydrophobicContact CD2-CZ 3.69Å; L67-F474 HydrophobicContact CG-CD2 4.05Å; L67-F474 HydrophobicContact CG-CE2 3.56Å; L67-F474 HydrophobicContact CG-CZ 3.98Å; F474-K497 PolarHBondContact N-O 3.17Å; F474-K497 PolarHBondContact O-N 3.35Å; F474-W521 HydrophobicContact CB-CH2 3.81Å; F474-W521 HydrophobicContact CB-CZ3 4.2Å |
| 475 | V | 97.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 130.9 | 174.7 | -179.5 | 0 | 0 | 0 | 0 | 109.6 | A55 R56 C453 T454 P469 V494 C495 W530 | A55-V475 CarbonylContact C-O 3.31Å; A55-V475 WeakPolarHBondContact CA-O 3.36Å; R56-V475 PolarHBondContact N-O 3.23Å; R56-V475 PolarHBondContact O-N 3.07Å; C453-V475 VanDerWaalsContact SG-CG2 3.59Å; T454-V475 HydrophobicContact CG2-CG2 4.36Å; P469-V475 HydrophobicContact CB-CG2 3.91Å; P469-V475 HydrophobicContact CG-CB 3.88Å; P469-V475 HydrophobicContact CG-CG2 3.7Å; V475-V494 HydrophobicContact CG1-CG1 3.72Å; V475-C495 WeakPolarHBondContact CA-O 3.21Å; V475-W530 HydrophobicContact CB-CH2 4.19Å; V475-W530 HydrophobicContact CB-CZ2 4.13Å; V475-W530 HydrophobicContact CG1-CH2 4.11Å; V475-W530 HydrophobicContact CG1-CZ2 3.84Å |
| 476 | K | 96.7 | Very high | 91.7 | Very high | 30 Ų | 30 | 32.3 Ų | 32.3 | 13% | 0.13 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 163.5 | 171 | 72.1 | -178.2 | -178.5 | -175 | 0 | 110 | A55 V478 C495 W521 | A55-K476 HydrophobicContact CB-CB 4.07Å; K476-V478 HydrophobicContact CD-CG2 4.22Å; K476-V478 HydrophobicContact CG-CG2 4.22Å; K476-C495 HydrophobicContact CD-CB 4.43Å; K476-C495 HydrophobicContact CG-CB 3.7Å; K476-C495 PolarHBondContact N-O 3.23Å; K476-C495 PolarHBondContact O-N 2.93Å; K476-W521 HydrophobicContact CB-CH2 4.18Å; K476-W521 HydrophobicContact CB-CZ3 4.17Å; K476-W521 HydrophobicContact CD-CD2 3.87Å; K476-W521 HydrophobicContact CD-CE3 4Å; K476-W521 HydrophobicContact CD-CH2 3.96Å; K476-W521 HydrophobicContact CD-CZ2 3.81Å; K476-W521 HydrophobicContact CD-CZ3 4.04Å; K476-W521 VanDerWaalsContact CE-CD2 3.43Å; K476-W521 HydrophobicContact CG-CD2 4.29Å; K476-W521 HydrophobicContact CG-CE3 3.89Å; K476-W521 HydrophobicContact CG-CH2 4.01Å; K476-W521 HydrophobicContact CG-CZ2 4.38Å; K476-W521 HydrophobicContact CG-CZ3 3.75Å |
| 477 | L | 97.6 | Very high | 91.7 | Very high | 15 Ų | 15 | 33.6 Ų | 33.6 | 8% | 0.079 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 137.7 | 167.3 | -58.7 | 179.8 | 0 | 0 | 0 | 108.5 | A487 G490 E493 V494 W530 L536 | L477-A487 HydrophobicContact CB-CB 4.33Å; L477-A487 WeakPolarHBondContact O-CB 3.36Å; L477-G490 VanDerWaalsContact CD1-C 3.43Å; L477-G490 WeakPolarHBondContact CD1-O 3.3Å; L477-E493 CarbonylContact C-O 3.48Å; L477-E493 VanDerWaalsContact CA-O 3.3Å; L477-E493 WeakPolarHBondContact CA-O 3.12Å; L477-V494 HydrophobicContact CD2-CB 4.5Å; L477-V494 HydrophobicContact CD2-CG2 3.93Å; L477-W530 HydrophobicContact CD1-CG 4.14Å; L477-L536 HydrophobicContact CD2-CD1 4.24Å |
| 478 | V | 96.4 | Very high | 91.6 | Very high | 45 Ų | 45 | 38.6 Ų | 38.6 | 27% | 0.273 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 143.6 | 177.1 | 177.5 | 0 | 0 | 0 | 0 | 109 | K476 G492 E493 C495 | K476-V478 HydrophobicContact CD-CG2 4.22Å; K476-V478 HydrophobicContact CG-CG2 4.22Å; V478-G492 CarbonylContact O-C 3.6Å; V478-G492 VanDerWaalsContact O-CA 3.22Å; V478-G492 WeakPolarHBondContact O-CA 3.33Å; V478-E493 PolarHBondContact N-O 3.07Å; V478-E493 PolarHBondContact O-N 3.23Å; V478-C495 HydrophobicContact CG2-CB 4.21Å; V478-C495 VanDerWaalsContact CG2-SG 3.51Å |
| 479 | D | 94.4 | Very high | 91.4 | Very high | 72 Ų | 72 | 43.5 Ų | 43.5 | 39% | 0.385 | 23% | 0.231 | S | C | . | . | trans | -57.9 | 141.8 | -179.7 | -63.4 | -12 | 0 | 0 | 0 | 111.4 | E481 F486 A487 | D479-E481 HydrophobicContact CB-CG 4.48Å; D479-F486 WeakPolarHBondContact OD1-CA 3.26Å; D479-A487 VanDerWaalsContact OD1-CB 3.3Å; D479-A487 WeakPolarHBondContact OD1-CB 3.24Å; D479-A487 PolarHBondContact OD1-N 2.81Å | ||
| 480 | V | 89 | Confident | 91.2 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | B | Isolated β-bridge | trans | -126.6 | 76.8 | 170.2 | -171.1 | 0 | 0 | 0 | 0 | 106.2 | E482 M483 N484 Y485 E493 I527 K542 | V480-E482 VanDerWaalsContact CG1-CD 3.49Å; V480-E482 HydrophobicContact CG1-CG 3.89Å; V480-E482 PolarHBondContact O-N 3.18Å; V480-M483 HydrophobicContact CB-CB 4.47Å; V480-M483 HydrophobicContact CG1-CB 3.93Å; V480-M483 HydrophobicContact CG1-CE 4.48Å; V480-M483 HydrophobicContact CG1-CG 4.03Å; V480-M483 HydrophobicContact CG1-SD 3.69Å; V480-M483 CarbonylContact O-C 2.87Å; V480-M483 PolarHBondContact O-N 3.36Å; V480-N484 PolarHBondContact O-N 2.98Å; V480-Y485 PolarHBondContact N-O 2.85Å; V480-Y485 PolarHBondContact O-N 3.05Å; V480-E493 HydrophobicContact CG2-CB 3.66Å; V480-I527 HydrophobicContact CB-CD1 4.41Å; V480-I527 HydrophobicContact CG2-CD1 3.75Å; V480-K542 HydrophobicContact CG1-CD 4.36Å |
| 481 | E | 85.6 | Confident | 91.2 | Very high | 138 Ų | 138 | 46.2 Ų | 46.2 | 65% | 0.645 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -55.4 | -39.8 | -172.4 | -63.9 | -175.5 | -176.8 | 0 | 0 | 111.6 | D479 M483 N484 F486 | D479-E481 HydrophobicContact CB-CG 4.48Å; E481-M483 PolarHBondContact O-N 3.31Å; E481-N484 PolarHBondContact O-N 3.18Å; E481-F486 HydrophobicContact CG-CE1 4.25Å |
| 482 | E | 76.8 | Confident | 91.2 | Very high | 97 Ų | 97 | 46.2 Ų | 46.2 | 45% | 0.453 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -59.3 | -22.2 | 178.4 | 61.9 | -90.9 | -148.5 | 0 | 0 | 113.5 | V480 K542 Y553 | V480-E482 VanDerWaalsContact CG1-CD 3.49Å; V480-E482 HydrophobicContact CG1-CG 3.89Å; V480-E482 PolarHBondContact O-N 3.18Å; E482-K542 WeakPolarHBondContact OE1-CE 3.3Å; E482-K542 IonicContact OE1-NZ 3.81Å; E482-K542 PolarHBondContact OE1-NZ 3.29Å; E482-Y553 WeakPolarHBondContact O-CE2 3.34Å; E482-Y553 PolarHBondContact O-OH 3.18Å |
| 483 | M | 72.6 | Confident | 91.2 | Very high | 17 Ų | 17 | 47 Ų | 47 | 8% | 0.084 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -113 | 6.4 | -179.8 | -69.6 | 166.6 | 45.7 | 0 | 0 | 113 | V480 E481 Y485 I527 K542 I545 Y553 | V480-M483 HydrophobicContact CB-CB 4.47Å; V480-M483 HydrophobicContact CG1-CB 3.93Å; V480-M483 HydrophobicContact CG1-CE 4.48Å; V480-M483 HydrophobicContact CG1-CG 4.03Å; V480-M483 HydrophobicContact CG1-SD 3.69Å; V480-M483 CarbonylContact O-C 2.87Å; V480-M483 PolarHBondContact O-N 3.36Å; E481-M483 PolarHBondContact O-N 3.31Å; M483-Y485 HydrophobicContact CB-CD2 3.6Å; M483-Y485 HydrophobicContact CB-CE2 3.94Å; M483-Y485 HydrophobicContact CE-CD2 3.67Å; M483-Y485 HydrophobicContact CE-CE2 3.43Å; M483-Y485 VanDerWaalsContact CE-CE2 3.43Å; M483-Y485 PolarHBondContact O-N 2.81Å; M483-I527 HydrophobicContact CE-CD1 3.92Å; M483-I527 HydrophobicContact CE-CG1 3.63Å; M483-K542 HydrophobicContact SD-CB 4.46Å; M483-K542 HydrophobicContact SD-CG 4.13Å; M483-I545 HydrophobicContact CE-CD1 3.03Å; M483-I545 HydrophobicContact SD-CD1 3.8Å; M483-Y553 HydrophobicContact CG-CD1 4.44Å; M483-Y553 HydrophobicContact CG-CE1 4.43Å |
| 484 | N | 80.6 | Confident | 91.2 | Very high | 108 Ų | 108 | 47 Ų | 47 | 58% | 0.578 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 30 | -176.5 | -56.7 | -66.5 | 0 | 0 | 0 | 114.7 | V480 E481 F486 | V480-N484 PolarHBondContact O-N 2.98Å; E481-N484 PolarHBondContact O-N 3.18Å; N484-F486 HydrophobicContact CB-CE2 4.29Å |
| 485 | Y | 86.8 | Confident | 91.3 | Very high | 46 Ų | 46 | 45.5 Ų | 45.5 | 18% | 0.18 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -98.2 | 125 | 170.9 | -66.6 | -67.8 | 0 | 0 | 0 | 109.9 | V480 M483 E491 I527 I539 D540 | V480-Y485 PolarHBondContact N-O 2.85Å; V480-Y485 PolarHBondContact O-N 3.05Å; M483-Y485 HydrophobicContact CB-CD2 3.6Å; M483-Y485 HydrophobicContact CB-CE2 3.94Å; M483-Y485 HydrophobicContact CE-CD2 3.67Å; M483-Y485 HydrophobicContact CE-CE2 3.43Å; M483-Y485 VanDerWaalsContact CE-CE2 3.43Å; M483-Y485 PolarHBondContact O-N 2.81Å; Y485-E491 HydrophobicContact CD1-CB 3.95Å; Y485-E491 WeakPolarHBondContact CD1-OE2 3.45Å; Y485-I527 HydrophobicContact CD1-CG2 4.05Å; Y485-I527 HydrophobicContact CD2-CG1 4.29Å; Y485-I527 HydrophobicContact CD2-CG2 3.81Å; Y485-I527 HydrophobicContact CE1-CG2 4.19Å; Y485-I527 HydrophobicContact CE2-CG1 4.29Å; Y485-I527 HydrophobicContact CE2-CG2 3.96Å; Y485-I527 HydrophobicContact CG-CG2 3.85Å; Y485-I539 HydrophobicContact CD1-CD1 4.2Å; Y485-I539 HydrophobicContact CE1-CD1 3.61Å; Y485-D540 PolarHBondContact OH-OD2 2.9Å |
| 486 | F | 89 | Confident | 91.3 | Very high | 66 Ų | 66 | 45.5 Ų | 45.5 | 29% | 0.289 | 25% | 0.246 | S | C | . | . | trans | -126.7 | 129.7 | -176.3 | -59.4 | -81.7 | 0 | 0 | 0 | 111 | D479 E481 N484 S488 N489 E491 | D479-F486 WeakPolarHBondContact OD1-CA 3.26Å; E481-F486 HydrophobicContact CG-CE1 4.25Å; N484-F486 HydrophobicContact CB-CE2 4.29Å; F486-S488 PolarHBondContact O-N 3.13Å; F486-S488 VanDerWaalsContact O-N 3.16Å; F486-N489 WeakPolarHBondContact O-CA 3.33Å; F486-N489 WeakPolarHBondContact O-CB 3.5Å; F486-N489 PolarHBondContact O-N 2.91Å; F486-E491 CarbonylContact C-O 3.59Å; F486-E491 PolarHBondContact N-O 3.45Å; F486-E491 PolarHBondContact O-N 2.82Å | ||
| 487 | A | 94 | Very high | 91.3 | Very high | 39 Ų | 39 | 48 Ų | 48 | 32% | 0.322 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -60.3 | -28 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L477 D479 N489 G490 E491 | L477-A487 HydrophobicContact CB-CB 4.33Å; L477-A487 WeakPolarHBondContact O-CB 3.36Å; D479-A487 VanDerWaalsContact OD1-CB 3.3Å; D479-A487 WeakPolarHBondContact OD1-CB 3.24Å; D479-A487 PolarHBondContact OD1-N 2.81Å; A487-N489 PolarHBondContact O-N 3.45Å; A487-G490 WeakPolarHBondContact O-CA 3.28Å; A487-G490 PolarHBondContact O-N 3.39Å; A487-E491 VanDerWaalsContact CA-O 3.24Å; A487-E491 WeakPolarHBondContact CA-O 3.47Å; A487-E491 PolarHBondContact N-O 3.29Å |
| 488 | S | 93 | Very high | 91.3 | Very high | 105 Ų | 105 | 48 Ų | 48 | 73% | 0.734 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -59.1 | -29 | 171.1 | 62.1 | 0 | 0 | 0 | 0 | 113.4 | F486 G490 | F486-S488 PolarHBondContact O-N 3.13Å; F486-S488 VanDerWaalsContact O-N 3.16Å; S488-G490 VanDerWaalsContact C-N 3.3Å |
| 489 | N | 91.6 | Very high | 91.3 | Very high | 105 Ų | 105 | 47.2 Ų | 47.2 | 56% | 0.561 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -90.6 | 4.5 | 175.6 | -59.7 | -19.5 | 0 | 0 | 0 | 112.2 | F486 A487 E491 | F486-N489 WeakPolarHBondContact O-CA 3.33Å; F486-N489 WeakPolarHBondContact O-CB 3.5Å; F486-N489 PolarHBondContact O-N 2.91Å; A487-N489 PolarHBondContact O-N 3.45Å; N489-E491 VanDerWaalsContact C-N 3.31Å |
| 490 | G | 93.6 | Very high | 91.4 | Very high | 19 Ų | 19 | 43.8 Ų | 43.8 | 20% | 0.196 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 23.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L477 A487 S488 K529 W530 | L477-G490 VanDerWaalsContact CD1-C 3.43Å; L477-G490 WeakPolarHBondContact CD1-O 3.3Å; A487-G490 WeakPolarHBondContact O-CA 3.28Å; A487-G490 PolarHBondContact O-N 3.39Å; S488-G490 VanDerWaalsContact C-N 3.3Å; G490-K529 CarbonylContact O-C 3.17Å; G490-K529 VanDerWaalsContact O-CA 3.25Å; G490-K529 WeakPolarHBondContact O-CA 3.25Å; G490-W530 PolarHBondContact O-N 3.48Å |
| 491 | E | 94.6 | Very high | 91.8 | Very high | 38 Ų | 38 | 44.6 Ų | 44.6 | 18% | 0.178 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 147.4 | -179.4 | -65.2 | 176.1 | 177.2 | 0 | 0 | 110.4 | Y485 F486 A487 N489 G528 K529 I539 | Y485-E491 HydrophobicContact CD1-CB 3.95Å; Y485-E491 WeakPolarHBondContact CD1-OE2 3.45Å; F486-E491 CarbonylContact C-O 3.59Å; F486-E491 PolarHBondContact N-O 3.45Å; F486-E491 PolarHBondContact O-N 2.82Å; A487-E491 VanDerWaalsContact CA-O 3.24Å; A487-E491 WeakPolarHBondContact CA-O 3.47Å; A487-E491 PolarHBondContact N-O 3.29Å; N489-E491 VanDerWaalsContact C-N 3.31Å; E491-G528 VanDerWaalsContact CA-O 3.32Å; E491-G528 WeakPolarHBondContact CA-O 3.33Å; E491-K529 HydrophobicContact CG-CB 4.04Å; E491-K529 HydrophobicContact CG-CD 3.9Å; E491-K529 HydrophobicContact CG-CG 3.77Å; E491-K529 VanDerWaalsContact OE1-CD 3.3Å; E491-K529 WeakPolarHBondContact OE1-CD 3.46Å; E491-K529 VanDerWaalsContact OE1-CE 3.23Å; E491-K529 WeakPolarHBondContact OE1-CE 3.44Å; E491-K529 IonicContact OE1-NZ 2.78Å; E491-K529 PolarHBondContact OE1-NZ 3.03Å; E491-I539 HydrophobicContact CG-CD1 4.42Å |
| 492 | G | 95.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 159.4 | -177.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | V478 V494 I527 G528 | V478-G492 CarbonylContact O-C 3.6Å; V478-G492 VanDerWaalsContact O-CA 3.22Å; V478-G492 WeakPolarHBondContact O-CA 3.33Å; G492-V494 PolarHBondContact O-N 3.34Å; G492-I527 CarbonylContact O-C 3.47Å; G492-I527 WeakPolarHBondContact O-CA 3.48Å; G492-I527 WeakPolarHBondContact O-CG2 3.42Å; G492-G528 PolarHBondContact N-O 2.93Å; G492-G528 PolarHBondContact O-N 3.33Å |
| 493 | E | 96.4 | Very high | 93.4 | Very high | 16 Ų | 16 | 39 Ų | 39 | 8% | 0.075 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 127.4 | 172.1 | 176.5 | 173.9 | -141 | 0 | 0 | 110 | L477 V478 V480 C495 H523 G525 D526 I527 | L477-E493 CarbonylContact C-O 3.48Å; L477-E493 VanDerWaalsContact CA-O 3.3Å; L477-E493 WeakPolarHBondContact CA-O 3.12Å; V478-E493 PolarHBondContact N-O 3.07Å; V478-E493 PolarHBondContact O-N 3.23Å; V480-E493 HydrophobicContact CG2-CB 3.66Å; E493-C495 PolarHBondContact O-N 3.49Å; E493-H523 IonicContact OE1-ND1 2.73Å; E493-H523 IonicContact OE2-CE1 3.79Å; E493-H523 IonicContact OE2-CG 3.36Å; E493-H523 IonicContact OE2-ND1 2.8Å; E493-H523 PolarHBondContact OE2-ND1 2.97Å; E493-G525 VanDerWaalsContact OE1-CA 3.32Å; E493-G525 WeakPolarHBondContact OE1-CA 3.38Å; E493-G525 PolarHBondContact OE1-N 3.23Å; E493-D526 WeakPolarHBondContact CA-O 3.26Å; E493-I527 HydrophobicContact CB-CD1 4.41Å |
| 494 | V | 97.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 121.9 | 173.2 | -176.3 | 0 | 0 | 0 | 0 | 108.4 | Y444 V475 L477 G492 I496 T524 D526 L536 I538 | Y444-V494 HydrophobicContact CE1-CG1 4.19Å; V475-V494 HydrophobicContact CG1-CG1 3.72Å; L477-V494 HydrophobicContact CD2-CB 4.5Å; L477-V494 HydrophobicContact CD2-CG2 3.93Å; G492-V494 PolarHBondContact O-N 3.34Å; V494-I496 HydrophobicContact CG1-CG1 4.25Å; V494-T524 HydrophobicContact CB-CG2 4.34Å; V494-T524 HydrophobicContact CG1-CG2 4.31Å; V494-T524 VanDerWaalsContact O-CG2 3.22Å; V494-T524 WeakPolarHBondContact O-CG2 3.45Å; V494-T524 PolarHBondContact O-N 3.26Å; V494-T524 PolarHBondContact O-OG1 3.01Å; V494-D526 PolarHBondContact N-O 2.65Å; V494-L536 HydrophobicContact CG1-CD2 4.14Å; V494-L536 HydrophobicContact CG2-CD1 4.44Å; V494-L536 HydrophobicContact CG2-CD2 4.2Å; V494-I538 HydrophobicContact CG2-CD1 4.09Å |
| 495 | C | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 131.2 | 174.5 | -71.2 | 0 | 0 | 0 | 0 | 109.7 | V475 K476 V478 E493 W521 L522 H523 | V475-C495 WeakPolarHBondContact CA-O 3.21Å; K476-C495 HydrophobicContact CD-CB 4.43Å; K476-C495 HydrophobicContact CG-CB 3.7Å; K476-C495 PolarHBondContact N-O 3.23Å; K476-C495 PolarHBondContact O-N 2.93Å; V478-C495 HydrophobicContact CG2-CB 4.21Å; V478-C495 VanDerWaalsContact CG2-SG 3.51Å; E493-C495 PolarHBondContact O-N 3.49Å; C495-W521 HydrophobicContact CB-CB 4.37Å; C495-W521 HydrophobicContact CB-CE3 3.98Å; C495-W521 WeakPolarHBondContact O-CZ3 3.25Å; C495-L522 CarbonylContact C-O 3.52Å; C495-L522 VanDerWaalsContact CA-O 3.29Å; C495-L522 WeakPolarHBondContact CA-O 3.5Å; C495-H523 PolarHBondContact SG-ND1 3.42Å |
| 496 | I | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 132.6 | -172.2 | -54.9 | 168.1 | 0 | 0 | 0 | 109.8 | C449 C453 N473 V494 V501 W521 L522 T524 | C449-I496 HydrophobicContact CB-CD1 4.42Å; C453-I496 HydrophobicContact CB-CD1 3.68Å; C453-I496 HydrophobicContact CB-CG1 4.43Å; C453-I496 HydrophobicContact CB-CG2 4.46Å; C453-I496 WeakPolarHBondContact SG-CD1 3.43Å; C453-I496 WeakPolarHBondContact SG-CG1 3.42Å; C453-I496 WeakPolarHBondContact SG-CG2 3.19Å; N473-I496 HydrophobicContact CB-CG2 4.49Å; N473-I496 WeakPolarHBondContact ND2-CG2 3.33Å; V494-I496 HydrophobicContact CG1-CG1 4.25Å; I496-V501 HydrophobicContact CG2-CG2 4.07Å; I496-W521 WeakPolarHBondContact O-CA 3.42Å; I496-L522 HydrophobicContact CB-CB 4.34Å; I496-L522 HydrophobicContact CD1-CD2 4.5Å; I496-L522 PolarHBondContact N-O 3.14Å; I496-L522 WeakPolarHBondContact O-CB 3.43Å; I496-L522 PolarHBondContact O-N 3.07Å; I496-T524 HydrophobicContact CD1-CG2 3.42Å; I496-T524 VanDerWaalsContact CD1-CG2 3.42Å; I496-T524 HydrophobicContact CG1-CG2 3.79Å |
| 497 | K | 97.1 | Very high | 96.2 | Very high | 81 Ų | 81 | 35.5 Ų | 35.5 | 35% | 0.352 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 129.9 | 168.9 | -179.8 | 168.5 | -178.8 | 170.2 | 0 | 109 | N473 F474 D519 W521 | N473-K497 CarbonylContact C-O 3.06Å; N473-K497 WeakPolarHBondContact CA-O 3.44Å; F474-K497 PolarHBondContact N-O 3.17Å; F474-K497 PolarHBondContact O-N 3.35Å; K497-D519 WeakPolarHBondContact CE-O 3.41Å; K497-D519 PolarHBondContact NZ-O 3.43Å; K497-W521 HydrophobicContact CB-CD2 3.72Å; K497-W521 HydrophobicContact CB-CE3 3.49Å; K497-W521 VanDerWaalsContact CB-CE3 3.49Å; K497-W521 HydrophobicContact CB-CG 4.43Å; K497-W521 HydrophobicContact CB-CH2 3.94Å; K497-W521 HydrophobicContact CB-CZ2 4.17Å; K497-W521 HydrophobicContact CB-CZ3 3.6Å; K497-W521 HydrophobicContact CD-CD2 4.3Å; K497-W521 HydrophobicContact CD-CZ2 4.19Å |
| 498 | G | 96.3 | Very high | 96.3 | Very high | 17 Ų | 17 | 35.8 Ų | 35.8 | 18% | 0.175 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178 | 169.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | C472 N500 V501 | C472-G498 WeakPolarHBondContact O-CA 3.49Å; G498-N500 PolarHBondContact O-N 3.31Å; G498-V501 WeakPolarHBondContact O-CB 3.38Å; G498-V501 PolarHBondContact O-N 3.21Å; G498-V501 VanDerWaalsContact O-N 3.13Å |
| 499 | T | 96.3 | Very high | 96.4 | Very high | 28 Ų | 28 | 35.6 Ų | 35.6 | 17% | 0.172 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -21.2 | -179.5 | -40.3 | 0 | 0 | 0 | 0 | 112.1 | S69 E277 N278 A281 C472 | S69-T499 VanDerWaalsContact OG-CG2 3.23Å; S69-T499 WeakPolarHBondContact OG-CG2 3.34Å; S69-T499 PolarHBondContact OG-OG1 3.09Å; E277-T499 HydrophobicContact CG-CG2 3.59Å; N278-T499 WeakPolarHBondContact CA-O 3.16Å; N278-T499 PolarHBondContact ND2-O 2.96Å; A281-T499 HydrophobicContact CB-CG2 4.04Å; C472-T499 PolarHBondContact O-N 2.63Å |
| 500 | N | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | -5.1 | 175.2 | 63.9 | -19.7 | 0 | 0 | 0 | 114.4 | N278 D282 C449 A450 A452 N473 G498 | N278-N500 WeakPolarHBondContact O-CB 3.27Å; D282-N500 HydrophobicContact CB-CB 3.91Å; C449-N500 CarbonylContact C-O 3.58Å; C449-N500 WeakPolarHBondContact CA-O 3.22Å; C449-N500 PolarHBondContact O-ND2 2.95Å; A450-N500 HydrophobicContact CB-CB 4.28Å; A450-N500 PolarHBondContact N-O 2.89Å; A452-N500 PolarHBondContact O-ND2 2.89Å; N473-N500 PolarHBondContact ND2-OD1 3.31Å; N473-N500 PolarHBondContact OD1-ND2 3.02Å; N473-N500 PolarHBondContact OD1-OD1 2.79Å; G498-N500 PolarHBondContact O-N 3.31Å |
| 501 | V | 98.1 | Very high | 96.4 | Very high | 16 Ų | 16 | 40.1 Ų | 40.1 | 10% | 0.097 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -72.2 | 131.2 | 179 | 176.7 | 0 | 0 | 0 | 0 | 110 | N278 I496 G498 L516 L522 | N278-V501 PolarHBondContact ND2-O 3.07Å; I496-V501 HydrophobicContact CG2-CG2 4.07Å; G498-V501 WeakPolarHBondContact O-CB 3.38Å; G498-V501 PolarHBondContact O-N 3.21Å; G498-V501 VanDerWaalsContact O-N 3.13Å; V501-L516 HydrophobicContact CG1-CD2 3.6Å; V501-L522 HydrophobicContact CG1-CB 3.99Å; V501-L522 HydrophobicContact CG1-CD2 4.37Å; V501-L522 HydrophobicContact CG2-CB 4.46Å |
| 502 | F | 98.1 | Very high | 96.4 | Very high | 6 Ų | 6 | 39.7 Ų | 39.7 | 3% | 0.026 | 20% | 0.199 | C | C | . | . | trans | -57.2 | 163.1 | -179.1 | 77 | -26.1 | 0 | 0 | 0 | 113.7 | A272 M273 L274 E448 G504 Y505 A515 L516 L522 | A272-F502 HydrophobicContact CB-CD2 3.76Å; A272-F502 HydrophobicContact CB-CE2 4.34Å; M273-F502 WeakPolarHBondContact O-CB 3.23Å; L274-F502 HydrophobicContact CD2-CB 3.7Å; L274-F502 HydrophobicContact CG-CB 4.4Å; E448-F502 HydrophobicContact CB-CD1 4.03Å; E448-F502 HydrophobicContact CB-CD2 4.02Å; E448-F502 HydrophobicContact CB-CE1 3.98Å; E448-F502 HydrophobicContact CB-CE2 3.98Å; E448-F502 HydrophobicContact CB-CG 4.06Å; E448-F502 HydrophobicContact CB-CZ 3.97Å; E448-F502 HydrophobicContact CG-CD2 3.8Å; E448-F502 HydrophobicContact CG-CE1 4.18Å; E448-F502 HydrophobicContact CG-CE2 3.41Å; E448-F502 VanDerWaalsContact CG-CE2 3.41Å; E448-F502 HydrophobicContact CG-CG 4.36Å; E448-F502 HydrophobicContact CG-CZ 3.63Å; E448-F502 WeakPolarHBondContact O-CB 3.45Å; E448-F502 VanDerWaalsContact O-CD1 3.3Å; E448-F502 WeakPolarHBondContact O-CD1 3.49Å; E448-F502 WeakPolarHBondContact O-CG 3.24Å; E448-F502 PolarHBondContact O-N 3.38Å; F502-G504 VanDerWaalsContact C-N 3.26Å; F502-G504 WeakPolarHBondContact CD2-O 3.26Å; F502-G504 PolarHBondContact O-N 2.87Å; F502-Y505 AromaticContact CE2-CD1 3.77Å; F502-Y505 HydrophobicContact CE2-CD1 3.77Å; F502-Y505 HydrophobicContact CE2-CD2 4.19Å; F502-Y505 AromaticContact CE2-CE1 3.65Å; F502-Y505 HydrophobicContact CE2-CE1 3.65Å; F502-Y505 HydrophobicContact CE2-CE2 4.09Å; F502-Y505 HydrophobicContact CE2-CG 4.07Å; F502-Y505 AromaticContact CE2-CZ 3.83Å; F502-Y505 HydrophobicContact CZ-CD2 4.41Å; F502-Y505 HydrophobicContact CZ-CE1 4.4Å; F502-Y505 HydrophobicContact CZ-CE2 4.12Å; F502-A515 HydrophobicContact CZ-CB 4.2Å; F502-L516 HydrophobicContact CD1-CD1 3.87Å; F502-L516 HydrophobicContact CD1-CD2 4.26Å; F502-L516 HydrophobicContact CD1-CG 4.26Å; F502-L516 HydrophobicContact CE1-CD1 3.43Å; F502-L516 VanDerWaalsContact CE1-CD1 3.43Å; F502-L516 HydrophobicContact CE1-CD2 3.76Å; F502-L516 HydrophobicContact CE1-CG 3.47Å; F502-L516 VanDerWaalsContact CE1-CG 3.47Å; F502-L516 HydrophobicContact CZ-CD1 4.22Å; F502-L516 HydrophobicContact CZ-CG 4.24Å; F502-L522 HydrophobicContact CE1-CD1 3.83Å; F502-L522 HydrophobicContact CZ-CD1 4.32Å | ||
| 503 | K | 97.4 | Very high | 96.4 | Very high | 113 Ų | 113 | 43.1 Ų | 43.1 | 49% | 0.491 | 23% | 0.227 | S | C | . | . | trans | -74.2 | -16.3 | 175 | -79.4 | -175.6 | 165.7 | 170.4 | 0 | 113.9 | E254 L256 M273 T275 | E254-K503 PolarHBondContact O-NZ 3.15Å; L256-K503 HydrophobicContact CD2-CD 3.98Å; M273-K503 HydrophobicContact CB-CB 4.29Å; M273-K503 HydrophobicContact CE-CB 4.46Å; M273-K503 PolarHBondContact O-N 2.97Å; T275-K503 HydrophobicContact CG2-CD 3.63Å; T275-K503 HydrophobicContact CG2-CG 3.96Å | ||
| 504 | G | 97.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | 128.1 | -171 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | M273 F502 | M273-G504 WeakPolarHBondContact CB-O 3.38Å; M273-G504 PolarHBondContact N-O 3.02Å; F502-G504 VanDerWaalsContact C-N 3.26Å; F502-G504 WeakPolarHBondContact CD2-O 3.26Å; F502-G504 PolarHBondContact O-N 2.87Å | ||
| 505 | Y | 97.4 | Very high | 96 | Very high | 12 Ų | 12 | 48 Ų | 48 | 5% | 0.047 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -95.5 | 137.5 | 179.4 | -62.3 | -66.2 | 0 | 0 | 0 | 112.2 | K270 G271 A272 E448 F502 K507 D508 K511 T512 A515 | K270-Y505 HydrophobicContact CB-CD1 3.58Å; K270-Y505 HydrophobicContact CB-CE1 3.73Å; K270-Y505 HydrophobicContact CB-CG 4.13Å; K270-Y505 HydrophobicContact CD-CD2 4.45Å; K270-Y505 HydrophobicContact CD-CE1 4.37Å; K270-Y505 HydrophobicContact CD-CE2 4.24Å; K270-Y505 PolarHBondContact NZ-OH 3.34Å; K270-Y505 VanDerWaalsContact NZ-OH 3.11Å; G271-Y505 CarbonylContact O-C 3.54Å; G271-Y505 VanDerWaalsContact O-CA 3.32Å; G271-Y505 WeakPolarHBondContact O-CA 3.43Å; A272-Y505 HydrophobicContact CB-CD1 4.44Å; A272-Y505 HydrophobicContact CB-CE1 4.42Å; E448-Y505 HydrophobicContact CG-CE1 4.04Å; E448-Y505 WeakPolarHBondContact OE1-CE1 3.43Å; E448-Y505 PolarHBondContact OE1-OH 3.32Å; F502-Y505 AromaticContact CE2-CD1 3.77Å; F502-Y505 HydrophobicContact CE2-CD1 3.77Å; F502-Y505 HydrophobicContact CE2-CD2 4.19Å; F502-Y505 AromaticContact CE2-CE1 3.65Å; F502-Y505 HydrophobicContact CE2-CE1 3.65Å; F502-Y505 HydrophobicContact CE2-CE2 4.09Å; F502-Y505 HydrophobicContact CE2-CG 4.07Å; F502-Y505 AromaticContact CE2-CZ 3.83Å; F502-Y505 HydrophobicContact CZ-CD2 4.41Å; F502-Y505 HydrophobicContact CZ-CE1 4.4Å; F502-Y505 HydrophobicContact CZ-CE2 4.12Å; Y505-K507 PolarHBondContact O-N 3.37Å; Y505-D508 PolarHBondContact O-N 2.95Å; Y505-K511 HydrophobicContact CD2-CB 3.75Å; Y505-K511 WeakPolarHBondContact CD2-O 3.31Å; Y505-K511 HydrophobicContact CE2-CB 4.12Å; Y505-K511 WeakPolarHBondContact CE2-O 3.35Å; Y505-T512 PolarHBondContact N-OG1 3.42Å; Y505-A515 HydrophobicContact CE2-CB 3.88Å |
| 506 | L | 97.4 | Very high | 96 | Very high | 14 Ų | 14 | 49.5 Ų | 49.5 | 7% | 0.073 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 115.7 | -176.3 | -176.5 | 69.5 | 0 | 0 | 0 | 111.3 | F135 Q178 A179 V259 F261 G271 M273 D508 | F135-L506 HydrophobicContact CZ-CD1 4.08Å; Q178-L506 PolarHBondContact NE2-O 3.02Å; A179-L506 HydrophobicContact CB-CD2 3.78Å; V259-L506 HydrophobicContact CG1-CB 4.11Å; V259-L506 HydrophobicContact CG1-CD2 4.13Å; F261-L506 HydrophobicContact CZ-CD2 4.24Å; G271-L506 PolarHBondContact O-N 2.81Å; M273-L506 HydrophobicContact CG-CB 3.96Å; M273-L506 HydrophobicContact CG-CD1 4.28Å; M273-L506 HydrophobicContact SD-CB 4.17Å; M273-L506 HydrophobicContact SD-CD1 3.71Å; L506-D508 PolarHBondContact O-N 2.68Å |
| 507 | K | 96.1 | Very high | 95.9 | Very high | 137 Ų | 137 | 51.4 Ų | 51.4 | 60% | 0.596 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 35.8 | -179 | -57.7 | 174 | -176.4 | 169.7 | 0 | 113 | Q178 Y505 | Q178-K507 WeakPolarHBondContact O-CD 3.26Å; Q178-K507 WeakPolarHBondContact O-CE 3.13Å; Q178-K507 PolarHBondContact O-NZ 2.97Å; Y505-K507 PolarHBondContact O-N 3.37Å |
| 508 | D | 94.9 | Very high | 95.8 | Very high | 44 Ų | 44 | 56.9 Ų | 56.9 | 24% | 0.235 | 29% | 0.294 | C | S | . | . | trans | -140.5 | 76.2 | 178.3 | -168.8 | -16.4 | 0 | 0 | 0 | 110.7 | Y505 L506 E510 K511 T512 | Y505-D508 PolarHBondContact O-N 2.95Å; L506-D508 PolarHBondContact O-N 2.68Å; D508-E510 VanDerWaalsContact C-N 3.3Å; D508-E510 PolarHBondContact O-N 3.47Å; D508-K511 VanDerWaalsContact CG-CB 3.47Å; D508-K511 VanDerWaalsContact CG-CG 3.49Å; D508-K511 WeakPolarHBondContact OD1-CB 3.4Å; D508-K511 VanDerWaalsContact OD1-CG 3.32Å; D508-K511 WeakPolarHBondContact OD1-CG 3.4Å; D508-K511 PolarHBondContact OD1-N 2.87Å; D508-K511 WeakPolarHBondContact OD2-CB 3.32Å; D508-K511 WeakPolarHBondContact OD2-CG 3.14Å; D508-T512 WeakPolarHBondContact O-CB 3.47Å; D508-T512 PolarHBondContact O-N 3.02Å; D508-T512 PolarHBondContact O-OG1 2.89Å | ||
| 509 | P | 95.6 | Very high | 95.7 | Very high | 102 Ų | 102 | 60.4 Ų | 60.4 | 66% | 0.662 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -67.4 | -29.4 | -177.4 | 27.3 | -34.2 | 0 | 0 | 0 | 112.8 | T512 A513 | P509-T512 WeakPolarHBondContact O-CB 3.29Å; P509-T512 PolarHBondContact O-N 3.37Å; P509-A513 WeakPolarHBondContact O-CB 3.38Å; P509-A513 PolarHBondContact O-N 2.96Å |
| 510 | E | 93.6 | Very high | 95.6 | Very high | 147 Ų | 147 | 60.6 Ų | 60.6 | 69% | 0.687 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -67.3 | -53.2 | 178.8 | -66.4 | -178.5 | -179.3 | 0 | 0 | 110.8 | D508 T512 A513 E514 | D508-E510 VanDerWaalsContact C-N 3.3Å; D508-E510 PolarHBondContact O-N 3.47Å; E510-T512 PolarHBondContact O-N 3.31Å; E510-A513 PolarHBondContact O-N 3.45Å; E510-E514 PolarHBondContact O-N 2.77Å |
| 511 | K | 91.1 | Very high | 95.5 | Very high | 72 Ų | 72 | 61.7 Ų | 61.7 | 31% | 0.313 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66 | -26 | 175.8 | -62.4 | -53.7 | -176.2 | -165.1 | 0 | 112.6 | K270 Y505 D508 E514 A515 | K270-K511 HydrophobicContact CD-CB 4.1Å; K270-K511 HydrophobicContact CD-CG 4.05Å; Y505-K511 HydrophobicContact CD2-CB 3.75Å; Y505-K511 WeakPolarHBondContact CD2-O 3.31Å; Y505-K511 HydrophobicContact CE2-CB 4.12Å; Y505-K511 WeakPolarHBondContact CE2-O 3.35Å; D508-K511 VanDerWaalsContact CG-CB 3.47Å; D508-K511 VanDerWaalsContact CG-CG 3.49Å; D508-K511 WeakPolarHBondContact OD1-CB 3.4Å; D508-K511 VanDerWaalsContact OD1-CG 3.32Å; D508-K511 WeakPolarHBondContact OD1-CG 3.4Å; D508-K511 PolarHBondContact OD1-N 2.87Å; D508-K511 WeakPolarHBondContact OD2-CB 3.32Å; D508-K511 WeakPolarHBondContact OD2-CG 3.14Å; K511-E514 WeakPolarHBondContact CD-OE2 3.32Å; K511-E514 IonicContact NZ-OE1 2.76Å; K511-E514 PolarHBondContact NZ-OE1 3.23Å; K511-E514 IonicContact NZ-OE2 3.5Å; K511-E514 PolarHBondContact NZ-OE2 2.96Å; K511-A515 WeakPolarHBondContact O-CB 3.4Å; K511-A515 PolarHBondContact O-N 3.46Å |
| 512 | T | 95.4 | Very high | 95.5 | Very high | 28 Ų | 28 | 61 Ų | 61 | 17% | 0.172 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.9 | -48.4 | 172.8 | -61.1 | 0 | 0 | 0 | 0 | 110.8 | Y505 D508 P509 E510 E514 A515 L516 | Y505-T512 PolarHBondContact N-OG1 3.42Å; D508-T512 WeakPolarHBondContact O-CB 3.47Å; D508-T512 PolarHBondContact O-N 3.02Å; D508-T512 PolarHBondContact O-OG1 2.89Å; P509-T512 WeakPolarHBondContact O-CB 3.29Å; P509-T512 PolarHBondContact O-N 3.37Å; E510-T512 PolarHBondContact O-N 3.31Å; T512-E514 VanDerWaalsContact C-N 3.31Å; T512-E514 PolarHBondContact O-N 3.36Å; T512-A515 PolarHBondContact O-N 2.97Å; T512-A515 VanDerWaalsContact O-N 3.16Å; T512-L516 HydrophobicContact CG2-CD1 4.3Å; T512-L516 PolarHBondContact O-N 2.97Å |
| 513 | A | 95.5 | Very high | 95.5 | Very high | 72 Ų | 72 | 63.2 Ų | 63.2 | 60% | 0.595 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -68.3 | -27.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | P509 E510 A515 | P509-A513 WeakPolarHBondContact O-CB 3.38Å; P509-A513 PolarHBondContact O-N 2.96Å; E510-A513 PolarHBondContact O-N 3.45Å; A513-A515 VanDerWaalsContact C-N 3.34Å |
| 514 | E | 92 | Very high | 95.3 | Very high | 109 Ų | 109 | 58.3 Ų | 58.3 | 51% | 0.509 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.7 | -34.6 | 170.6 | -74.5 | 178 | -161.5 | 0 | 0 | 112.5 | E510 K511 T512 | E510-E514 PolarHBondContact O-N 2.77Å; K511-E514 WeakPolarHBondContact CD-OE2 3.32Å; K511-E514 IonicContact NZ-OE1 2.76Å; K511-E514 PolarHBondContact NZ-OE1 3.23Å; K511-E514 IonicContact NZ-OE2 3.5Å; K511-E514 PolarHBondContact NZ-OE2 2.96Å; T512-E514 VanDerWaalsContact C-N 3.31Å; T512-E514 PolarHBondContact O-N 3.36Å |
| 515 | A | 93.9 | Very high | 95 | Very high | 11 Ų | 11 | 58.9 Ų | 58.9 | 9% | 0.091 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -94.3 | -32.8 | -175 | 0 | 0 | 0 | 0 | 0 | 113.4 | F502 Y505 K511 T512 A513 L522 H523 | F502-A515 HydrophobicContact CZ-CB 4.2Å; Y505-A515 HydrophobicContact CE2-CB 3.88Å; K511-A515 WeakPolarHBondContact O-CB 3.4Å; K511-A515 PolarHBondContact O-N 3.46Å; T512-A515 PolarHBondContact O-N 2.97Å; T512-A515 VanDerWaalsContact O-N 3.16Å; A513-A515 VanDerWaalsContact C-N 3.34Å; A515-L522 HydrophobicContact CB-CD1 4.33Å; A515-L522 CarbonylContact O-C 3.58Å; A515-L522 WeakPolarHBondContact O-CA 3.43Å; A515-H523 PolarHBondContact O-N 3.11Å |
| 516 | L | 96.6 | Very high | 94.7 | Very high | 30 Ų | 30 | 59.2 Ų | 59.2 | 16% | 0.157 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | -114.7 | 117 | 179.3 | -70.8 | 172.5 | 0 | 0 | 0 | 110.3 | V501 F502 T512 W521 L522 | V501-L516 HydrophobicContact CG1-CD2 3.6Å; F502-L516 HydrophobicContact CD1-CD1 3.87Å; F502-L516 HydrophobicContact CD1-CD2 4.26Å; F502-L516 HydrophobicContact CD1-CG 4.26Å; F502-L516 HydrophobicContact CE1-CD1 3.43Å; F502-L516 VanDerWaalsContact CE1-CD1 3.43Å; F502-L516 HydrophobicContact CE1-CD2 3.76Å; F502-L516 HydrophobicContact CE1-CG 3.47Å; F502-L516 VanDerWaalsContact CE1-CG 3.47Å; F502-L516 HydrophobicContact CZ-CD1 4.22Å; F502-L516 HydrophobicContact CZ-CG 4.24Å; T512-L516 HydrophobicContact CG2-CD1 4.3Å; T512-L516 PolarHBondContact O-N 2.97Å; L516-W521 WeakPolarHBondContact CA-O 3.14Å; L516-L522 HydrophobicContact CD2-CB 3.92Å; L516-L522 HydrophobicContact CD2-CD1 4.34Å |
| 517 | D | 95.8 | Very high | 94.4 | Very high | 41 Ų | 41 | 58.6 Ų | 58.6 | 22% | 0.219 | 31% | 0.311 | C | S | . | . | trans | -73.3 | 168.4 | 173.4 | 80.1 | 11.5 | 0 | 0 | 0 | 112.2 | D519 G520 W521 H523 | D517-D519 PolarHBondContact O-N 3.33Å; D517-D519 VanDerWaalsContact O-N 3.13Å; D517-D519 VanDerWaalsContact OD1-C 3.27Å; D517-D519 VanDerWaalsContact OD1-CA 3.31Å; D517-D519 WeakPolarHBondContact OD1-CA 2.73Å; D517-D519 WeakPolarHBondContact OD1-CB 2.96Å; D517-D519 PolarHBondContact OD1-N 2.99Å; D517-G520 PolarHBondContact O-N 2.93Å; D517-G520 PolarHBondContact OD1-N 3.33Å; D517-W521 PolarHBondContact N-O 3.26Å; D517-W521 PolarHBondContact OD1-N 3.45Å; D517-W521 WeakPolarHBondContact OD2-CB 3.39Å; D517-H523 IonicContact OD2-NE2 3.8Å | ||
| 518 | K | 94.9 | Very high | 94.4 | Very high | 196 Ų | 196 | 52 Ų | 52 | 85% | 0.852 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -20.5 | 178.5 | 63.8 | 179.8 | -179.2 | 178.6 | 0 | 114.3 | ||
| 519 | D | 93.9 | Very high | 94.4 | Very high | 90 Ų | 90 | 53.5 Ų | 53.5 | 48% | 0.481 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 1.9 | -179.6 | -64.8 | -47.4 | 0 | 0 | 0 | 111.4 | K497 D517 | K497-D519 WeakPolarHBondContact CE-O 3.41Å; K497-D519 PolarHBondContact NZ-O 3.43Å; D517-D519 PolarHBondContact O-N 3.33Å; D517-D519 VanDerWaalsContact O-N 3.13Å; D517-D519 VanDerWaalsContact OD1-C 3.27Å; D517-D519 VanDerWaalsContact OD1-CA 3.31Å; D517-D519 WeakPolarHBondContact OD1-CA 2.73Å; D517-D519 WeakPolarHBondContact OD1-CB 2.96Å; D517-D519 PolarHBondContact OD1-N 2.99Å |
| 520 | G | 94.2 | Very high | 94.4 | Very high | 33 Ų | 33 | 50.3 Ų | 50.3 | 34% | 0.34 | 26% | 0.262 | S | S | . | . | S | Bend | trans | 80.6 | 22.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | D517 | D517-G520 PolarHBondContact O-N 2.93Å; D517-G520 PolarHBondContact OD1-N 3.33Å |
| 521 | W | 97.3 | Very high | 94.5 | Very high | 23 Ų | 23 | 45.7 Ų | 45.7 | 9% | 0.087 | 24% | 0.242 | C | C | . | . | trans | -87.2 | 127.4 | 170.3 | -63.3 | 91.8 | 0 | 0 | 0 | 110.9 | A55 F474 K476 C495 I496 K497 L516 D517 | A55-W521 HydrophobicContact CB-CH2 3.68Å; A55-W521 HydrophobicContact CB-CZ2 4.22Å; F474-W521 HydrophobicContact CB-CH2 3.81Å; F474-W521 HydrophobicContact CB-CZ3 4.2Å; K476-W521 HydrophobicContact CB-CH2 4.18Å; K476-W521 HydrophobicContact CB-CZ3 4.17Å; K476-W521 HydrophobicContact CD-CD2 3.87Å; K476-W521 HydrophobicContact CD-CE3 4Å; K476-W521 HydrophobicContact CD-CH2 3.96Å; K476-W521 HydrophobicContact CD-CZ2 3.81Å; K476-W521 HydrophobicContact CD-CZ3 4.04Å; K476-W521 VanDerWaalsContact CE-CD2 3.43Å; K476-W521 HydrophobicContact CG-CD2 4.29Å; K476-W521 HydrophobicContact CG-CE3 3.89Å; K476-W521 HydrophobicContact CG-CH2 4.01Å; K476-W521 HydrophobicContact CG-CZ2 4.38Å; K476-W521 HydrophobicContact CG-CZ3 3.75Å; C495-W521 HydrophobicContact CB-CB 4.37Å; C495-W521 HydrophobicContact CB-CE3 3.98Å; C495-W521 WeakPolarHBondContact O-CZ3 3.25Å; I496-W521 WeakPolarHBondContact O-CA 3.42Å; K497-W521 HydrophobicContact CB-CD2 3.72Å; K497-W521 HydrophobicContact CB-CE3 3.49Å; K497-W521 VanDerWaalsContact CB-CE3 3.49Å; K497-W521 HydrophobicContact CB-CG 4.43Å; K497-W521 HydrophobicContact CB-CH2 3.94Å; K497-W521 HydrophobicContact CB-CZ2 4.17Å; K497-W521 HydrophobicContact CB-CZ3 3.6Å; K497-W521 HydrophobicContact CD-CD2 4.3Å; K497-W521 HydrophobicContact CD-CZ2 4.19Å; L516-W521 WeakPolarHBondContact CA-O 3.14Å; D517-W521 PolarHBondContact N-O 3.26Å; D517-W521 PolarHBondContact OD1-N 3.45Å; D517-W521 WeakPolarHBondContact OD2-CB 3.39Å | ||
| 522 | L | 97.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 114.3 | 167.4 | 172.5 | 63.1 | 0 | 0 | 0 | 109.7 | E448 C449 C495 I496 V501 F502 A515 L516 T524 | E448-L522 HydrophobicContact CB-CD1 3.82Å; E448-L522 HydrophobicContact CB-CD2 3.7Å; E448-L522 HydrophobicContact CB-CG 4.41Å; E448-L522 HydrophobicContact CG-CD1 4.44Å; C449-L522 HydrophobicContact CB-CD2 3.96Å; C495-L522 CarbonylContact C-O 3.52Å; C495-L522 VanDerWaalsContact CA-O 3.29Å; C495-L522 WeakPolarHBondContact CA-O 3.5Å; I496-L522 HydrophobicContact CB-CB 4.34Å; I496-L522 HydrophobicContact CD1-CD2 4.5Å; I496-L522 PolarHBondContact N-O 3.14Å; I496-L522 WeakPolarHBondContact O-CB 3.43Å; I496-L522 PolarHBondContact O-N 3.07Å; V501-L522 HydrophobicContact CG1-CB 3.99Å; V501-L522 HydrophobicContact CG1-CD2 4.37Å; V501-L522 HydrophobicContact CG2-CB 4.46Å; F502-L522 HydrophobicContact CE1-CD1 3.83Å; F502-L522 HydrophobicContact CZ-CD1 4.32Å; A515-L522 HydrophobicContact CB-CD1 4.33Å; A515-L522 CarbonylContact O-C 3.58Å; A515-L522 WeakPolarHBondContact O-CA 3.43Å; L516-L522 HydrophobicContact CD2-CB 3.92Å; L516-L522 HydrophobicContact CD2-CD1 4.34Å; L522-T524 PolarHBondContact O-N 3.23Å |
| 523 | H | 96.7 | Very high | 94.3 | Very high | 52 Ų | 52 | 48.8 Ų | 48.8 | 24% | 0.241 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 112.1 | 169.5 | -73.7 | -95.8 | 0 | 0 | 0 | 109.4 | E493 C495 A515 D517 | E493-H523 IonicContact OE1-ND1 2.73Å; E493-H523 IonicContact OE2-CE1 3.79Å; E493-H523 IonicContact OE2-CG 3.36Å; E493-H523 IonicContact OE2-ND1 2.8Å; E493-H523 PolarHBondContact OE2-ND1 2.97Å; C495-H523 PolarHBondContact SG-ND1 3.42Å; A515-H523 PolarHBondContact O-N 3.11Å; D517-H523 IonicContact OD2-NE2 3.8Å |
| 524 | T | 94.1 | Very high | 94.2 | Very high | 10 Ų | 10 | 45.4 Ų | 45.4 | 6% | 0.061 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | -20.6 | -173.1 | 72.4 | 0 | 0 | 0 | 0 | 113.1 | Y444 V494 I496 L522 D526 | Y444-T524 VanDerWaalsContact OH-CB 3.31Å; Y444-T524 WeakPolarHBondContact OH-CB 3.31Å; Y444-T524 PolarHBondContact OH-OG1 3.47Å; V494-T524 HydrophobicContact CB-CG2 4.34Å; V494-T524 HydrophobicContact CG1-CG2 4.31Å; V494-T524 VanDerWaalsContact O-CG2 3.22Å; V494-T524 WeakPolarHBondContact O-CG2 3.45Å; V494-T524 PolarHBondContact O-N 3.26Å; V494-T524 PolarHBondContact O-OG1 3.01Å; I496-T524 HydrophobicContact CD1-CG2 3.42Å; I496-T524 VanDerWaalsContact CD1-CG2 3.42Å; I496-T524 HydrophobicContact CG1-CG2 3.79Å; L522-T524 PolarHBondContact O-N 3.23Å; T524-D526 PolarHBondContact O-N 3.37Å; T524-D526 PolarHBondContact OG1-N 2.9Å |
| 525 | G | 91.1 | Very high | 94.3 | Very high | 12 Ų | 12 | 40.2 Ų | 40.2 | 12% | 0.124 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 68.7 | 6 | -167.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | E493 R541 K542 | E493-G525 VanDerWaalsContact OE1-CA 3.32Å; E493-G525 WeakPolarHBondContact OE1-CA 3.38Å; E493-G525 PolarHBondContact OE1-N 3.23Å; G525-R541 CarbonylContact O-C 3.52Å; G525-K542 VanDerWaalsContact O-CB 3.25Å; G525-K542 WeakPolarHBondContact O-CB 3.4Å; G525-K542 PolarHBondContact O-N 3.26Å |
| 526 | D | 91.1 | Very high | 94.5 | Very high | 20 Ų | 20 | 39.7 Ų | 39.7 | 11% | 0.107 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 143.6 | 173.8 | -58.7 | -46 | 0 | 0 | 0 | 110.3 | Y444 E493 V494 T524 I538 R541 | Y444-D526 HydrophobicContact CE2-CB 4.36Å; Y444-D526 VanDerWaalsContact CE2-OD2 3.23Å; Y444-D526 WeakPolarHBondContact CE2-OD2 3.2Å; Y444-D526 WeakPolarHBondContact OH-CB 3.47Å; Y444-D526 PolarHBondContact OH-OD2 3.18Å; E493-D526 WeakPolarHBondContact CA-O 3.26Å; V494-D526 PolarHBondContact N-O 2.65Å; T524-D526 PolarHBondContact O-N 3.37Å; T524-D526 PolarHBondContact OG1-N 2.9Å; D526-I538 HydrophobicContact CB-CG2 4.5Å; D526-R541 VanDerWaalsContact OD1-CD 3.31Å; D526-R541 WeakPolarHBondContact OD1-CD 3.5Å; D526-R541 VanDerWaalsContact OD1-CG 3.28Å; D526-R541 WeakPolarHBondContact OD1-CG 3.34Å; D526-R541 IonicContact OD1-NE 3.19Å; D526-R541 PolarHBondContact OD1-NE 3.31Å |
| 527 | I | 91.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 126.6 | 179.1 | -50.4 | -56.6 | 0 | 0 | 0 | 109.5 | V480 M483 Y485 G492 E493 I539 D540 | V480-I527 HydrophobicContact CB-CD1 4.41Å; V480-I527 HydrophobicContact CG2-CD1 3.75Å; M483-I527 HydrophobicContact CE-CD1 3.92Å; M483-I527 HydrophobicContact CE-CG1 3.63Å; Y485-I527 HydrophobicContact CD1-CG2 4.05Å; Y485-I527 HydrophobicContact CD2-CG1 4.29Å; Y485-I527 HydrophobicContact CD2-CG2 3.81Å; Y485-I527 HydrophobicContact CE1-CG2 4.19Å; Y485-I527 HydrophobicContact CE2-CG1 4.29Å; Y485-I527 HydrophobicContact CE2-CG2 3.96Å; Y485-I527 HydrophobicContact CG-CG2 3.85Å; G492-I527 CarbonylContact O-C 3.47Å; G492-I527 WeakPolarHBondContact O-CA 3.48Å; G492-I527 WeakPolarHBondContact O-CG2 3.42Å; E493-I527 HydrophobicContact CB-CD1 4.41Å; I527-I539 HydrophobicContact CB-CG1 4.14Å; I527-I539 HydrophobicContact CG2-CD1 3.82Å; I527-I539 HydrophobicContact CG2-CG1 3.71Å; I527-I539 WeakPolarHBondContact O-CG1 3.5Å; I527-I539 PolarHBondContact O-N 3.46Å; I527-D540 HydrophobicContact CB-CB 3.68Å; I527-D540 HydrophobicContact CG1-CB 3.79Å; I527-D540 HydrophobicContact CG2-CB 4.4Å; I527-D540 PolarHBondContact N-O 3.03Å; I527-D540 PolarHBondContact O-N 3.05Å |
| 528 | G | 94.9 | Very high | 94 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 160 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E491 G492 K537 | E491-G528 VanDerWaalsContact CA-O 3.32Å; E491-G528 WeakPolarHBondContact CA-O 3.33Å; G492-G528 PolarHBondContact N-O 2.93Å; G492-G528 PolarHBondContact O-N 3.33Å; G528-K537 CarbonylContact C-O 3.5Å; G528-K537 VanDerWaalsContact CA-O 3.28Å; G528-K537 WeakPolarHBondContact CA-O 3.49Å |
| 529 | K | 95.1 | Very high | 93.5 | Very high | 74 Ų | 74 | 35.6 Ų | 35.6 | 32% | 0.322 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 130.3 | 170.3 | -179.1 | 170.8 | -171.1 | 153.1 | 0 | 110.5 | G490 E491 K537 I539 | G490-K529 CarbonylContact O-C 3.17Å; G490-K529 VanDerWaalsContact O-CA 3.25Å; G490-K529 WeakPolarHBondContact O-CA 3.25Å; E491-K529 HydrophobicContact CG-CB 4.04Å; E491-K529 HydrophobicContact CG-CD 3.9Å; E491-K529 HydrophobicContact CG-CG 3.77Å; E491-K529 VanDerWaalsContact OE1-CD 3.3Å; E491-K529 WeakPolarHBondContact OE1-CD 3.46Å; E491-K529 VanDerWaalsContact OE1-CE 3.23Å; E491-K529 WeakPolarHBondContact OE1-CE 3.44Å; E491-K529 IonicContact OE1-NZ 2.78Å; E491-K529 PolarHBondContact OE1-NZ 3.03Å; K529-K537 PolarHBondContact N-O 3.34Å; K529-K537 PolarHBondContact O-N 2.95Å; K529-I539 HydrophobicContact CB-CD1 4.18Å; K529-I539 HydrophobicContact CB-CG2 4.04Å |
| 530 | W | 96.4 | Very high | 92.5 | Very high | 35 Ų | 35 | 32.2 Ų | 32.2 | 13% | 0.133 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 126.8 | 168.3 | -67.8 | 118.6 | 0 | 0 | 0 | 110.2 | R56 P469 V475 L477 G490 G534 L536 | R56-W530 HydrophobicContact CB-CH2 4.19Å; R56-W530 HydrophobicContact CB-CZ2 4.05Å; R56-W530 VanDerWaalsContact CD-CD2 3.46Å; R56-W530 HydrophobicContact CG-CZ2 4.05Å; P469-W530 HydrophobicContact CG-CH2 4.09Å; V475-W530 HydrophobicContact CB-CH2 4.19Å; V475-W530 HydrophobicContact CB-CZ2 4.13Å; V475-W530 HydrophobicContact CG1-CH2 4.11Å; V475-W530 HydrophobicContact CG1-CZ2 3.84Å; L477-W530 HydrophobicContact CD1-CG 4.14Å; G490-W530 PolarHBondContact O-N 3.48Å; W530-G534 WeakPolarHBondContact CZ3-O 3.31Å; W530-L536 HydrophobicContact CD2-CD1 4.21Å; W530-L536 HydrophobicContact CE3-CB 4.1Å; W530-L536 HydrophobicContact CE3-CD1 4.16Å; W530-L536 HydrophobicContact CH2-CB 4.1Å; W530-L536 HydrophobicContact CH2-CD1 4.18Å; W530-L536 HydrophobicContact CZ2-CD1 4.23Å; W530-L536 HydrophobicContact CZ3-CB 3.64Å; W530-L536 HydrophobicContact CZ3-CD1 4.16Å; W530-L536 HydrophobicContact CZ3-CG 4.46Å |
| 531 | L | 95 | Very high | 91.7 | Very high | 51 Ų | 51 | 34 Ų | 34 | 27% | 0.267 | 18% | 0.175 | S | C | . | . | trans | -86.6 | 161.3 | 171 | -59.1 | -172.8 | 0 | 0 | 0 | 110.7 | H465 S533 G534 V535 K537 | H465-L531 HydrophobicContact CB-CD1 4.13Å; L531-S533 PolarHBondContact O-N 3.33Å; L531-S533 VanDerWaalsContact O-N 3.11Å; L531-G534 WeakPolarHBondContact O-CA 3.44Å; L531-G534 PolarHBondContact O-N 3.36Å; L531-V535 HydrophobicContact CB-CG2 3.87Å; L531-V535 HydrophobicContact CD1-CG2 3.78Å; L531-V535 HydrophobicContact CG-CG2 4.11Å; L531-V535 PolarHBondContact N-O 2.85Å; L531-K537 HydrophobicContact CD1-CB 4.43Å; L531-K537 HydrophobicContact CD2-CB 4.45Å; L531-K537 HydrophobicContact CG-CB 4.32Å | ||
| 532 | P | 92.6 | Very high | 90.5 | Very high | 136 Ų | 136 | 36.6 Ų | 36.6 | 88% | 0.883 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -31.9 | -178.3 | -29 | 36.4 | 0 | 0 | 0 | 114.9 | G534 | P532-G534 PolarHBondContact O-N 3.37Š|
| 533 | S | 90.5 | Very high | 89.1 | Confident | 29 Ų | 29 | 43.1 Ų | 43.1 | 20% | 0.203 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -4.8 | 175.8 | 54 | 0 | 0 | 0 | 0 | 114.3 | L44 N45 Q47 L531 V535 | L44-S533 WeakPolarHBondContact O-CB 3.44Å; N45-S533 WeakPolarHBondContact O-CA 3.34Å; Q47-S533 PolarHBondContact N-O 3.44Å; L531-S533 PolarHBondContact O-N 3.33Å; L531-S533 VanDerWaalsContact O-N 3.11Å; S533-V535 WeakPolarHBondContact OG-CG2 3.38Å |
| 534 | G | 92.6 | Very high | 87.5 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | S | Bend | trans | 84.7 | 8.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | T48 W530 L531 P532 | T48-G534 WeakPolarHBondContact CB-O 3.16Å; T48-G534 WeakPolarHBondContact CG2-O 3.15Å; T48-G534 WeakPolarHBondContact OG1-CA 3.46Å; T48-G534 PolarHBondContact OG1-O 3.44Å; W530-G534 WeakPolarHBondContact CZ3-O 3.31Å; L531-G534 WeakPolarHBondContact O-CA 3.44Å; L531-G534 PolarHBondContact O-N 3.36Å; P532-G534 PolarHBondContact O-N 3.37Å |
| 535 | V | 95.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -83.6 | 150.4 | 173.2 | -56.9 | 0 | 0 | 0 | 0 | 111.4 | Q47 H465 G467 V468 L531 S533 | Q47-V535 HydrophobicContact CB-CG1 4.37Å; Q47-V535 VanDerWaalsContact CD-CG1 3.48Å; Q47-V535 HydrophobicContact CG-CG1 4.31Å; H465-V535 HydrophobicContact CB-CB 4.35Å; H465-V535 HydrophobicContact CB-CG2 3.74Å; G467-V535 CarbonylContact O-C 2.82Å; G467-V535 WeakPolarHBondContact O-CA 3.48Å; V468-V535 HydrophobicContact CG1-CG1 4.03Å; L531-V535 HydrophobicContact CB-CG2 3.87Å; L531-V535 HydrophobicContact CD1-CG2 3.78Å; L531-V535 HydrophobicContact CG-CG2 4.11Å; L531-V535 PolarHBondContact N-O 2.85Å; S533-V535 WeakPolarHBondContact OG-CG2 3.38Å | ||
| 536 | L | 96.9 | Very high | 85.1 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 135.7 | 176.8 | -172.9 | 66.2 | 0 | 0 | 0 | 110.2 | T454 H465 V466 G467 L477 V494 W530 I538 | T454-L536 HydrophobicContact CG2-CB 4.47Å; T454-L536 HydrophobicContact CG2-CD2 3.86Å; H465-L536 WeakPolarHBondContact CB-O 3.22Å; V466-L536 HydrophobicContact CG2-CB 4.06Å; V466-L536 HydrophobicContact CG2-CD2 4.21Å; V466-L536 HydrophobicContact CG2-CG 4.16Å; V466-L536 VanDerWaalsContact CG2-O 3.24Å; V466-L536 WeakPolarHBondContact CG2-O 3.27Å; V466-L536 PolarHBondContact N-O 3.37Å; G467-L536 PolarHBondContact O-N 2.91Å; L477-L536 HydrophobicContact CD2-CD1 4.24Å; V494-L536 HydrophobicContact CG1-CD2 4.14Å; V494-L536 HydrophobicContact CG2-CD1 4.44Å; V494-L536 HydrophobicContact CG2-CD2 4.2Å; W530-L536 HydrophobicContact CD2-CD1 4.21Å; W530-L536 HydrophobicContact CE3-CB 4.1Å; W530-L536 HydrophobicContact CE3-CD1 4.16Å; W530-L536 HydrophobicContact CH2-CB 4.1Å; W530-L536 HydrophobicContact CH2-CD1 4.18Å; W530-L536 HydrophobicContact CZ2-CD1 4.23Å; W530-L536 HydrophobicContact CZ3-CB 3.64Å; W530-L536 HydrophobicContact CZ3-CD1 4.16Å; W530-L536 HydrophobicContact CZ3-CG 4.46Å; L536-I538 HydrophobicContact CD2-CD1 4.02Å; L536-I538 HydrophobicContact CG-CD1 4.33Å |
| 537 | K | 94 | Very high | 84 | Confident | 86 Ų | 86 | 46.8 Ų | 46.8 | 37% | 0.374 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 127.7 | 167.3 | 176.5 | 176.9 | -175.8 | 177.6 | 0 | 109.2 | G464 H465 G528 K529 L531 I539 | G464-K537 VanDerWaalsContact O-CD 3.26Å; G464-K537 WeakPolarHBondContact O-CD 3.22Å; G464-K537 WeakPolarHBondContact O-CE 3.37Å; G464-K537 VanDerWaalsContact O-CG 3.29Å; G464-K537 WeakPolarHBondContact O-CG 3.46Å; H465-K537 HydrophobicContact CB-CB 4.45Å; G528-K537 CarbonylContact C-O 3.5Å; G528-K537 VanDerWaalsContact CA-O 3.28Å; G528-K537 WeakPolarHBondContact CA-O 3.49Å; K529-K537 PolarHBondContact N-O 3.34Å; K529-K537 PolarHBondContact O-N 2.95Å; L531-K537 HydrophobicContact CD1-CB 4.43Å; L531-K537 HydrophobicContact CD2-CB 4.45Å; L531-K537 HydrophobicContact CG-CB 4.32Å; K537-I539 HydrophobicContact CD-CG2 4.04Å; K537-I539 HydrophobicContact CG-CG2 3.89Å |
| 538 | I | 88.8 | Confident | 83 | Confident | 50 Ų | 50 | 47 Ų | 47 | 26% | 0.256 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 127.7 | 169.1 | -52.9 | -55.1 | 0 | 0 | 0 | 108.1 | Y444 V466 V494 D526 L536 | Y444-I538 HydrophobicContact CD1-CD1 4.03Å; Y444-I538 HydrophobicContact CD2-CD1 3.93Å; Y444-I538 HydrophobicContact CD2-CG1 3.73Å; Y444-I538 HydrophobicContact CE1-CD1 4.02Å; Y444-I538 HydrophobicContact CE2-CD1 3.92Å; Y444-I538 HydrophobicContact CE2-CG1 4.07Å; Y444-I538 HydrophobicContact CG-CD1 3.98Å; Y444-I538 HydrophobicContact CG-CG1 3.98Å; V466-I538 HydrophobicContact CG1-CG1 4.2Å; V466-I538 HydrophobicContact CG2-CD1 4.29Å; V466-I538 HydrophobicContact CG2-CG1 3.99Å; V494-I538 HydrophobicContact CG2-CD1 4.09Å; D526-I538 HydrophobicContact CB-CG2 4.5Å; L536-I538 HydrophobicContact CD2-CD1 4.02Å; L536-I538 HydrophobicContact CG-CD1 4.33Å |
| 539 | I | 83.8 | Confident | 81.7 | Confident | 45 Ų | 45 | 49.6 Ų | 49.6 | 23% | 0.231 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | -24 | -175.3 | 58.1 | 167.3 | 0 | 0 | 0 | 112.9 | Y485 E491 I527 K529 K537 | Y485-I539 HydrophobicContact CD1-CD1 4.2Å; Y485-I539 HydrophobicContact CE1-CD1 3.61Å; E491-I539 HydrophobicContact CG-CD1 4.42Å; I527-I539 HydrophobicContact CB-CG1 4.14Å; I527-I539 HydrophobicContact CG2-CD1 3.82Å; I527-I539 HydrophobicContact CG2-CG1 3.71Å; I527-I539 WeakPolarHBondContact O-CG1 3.5Å; I527-I539 PolarHBondContact O-N 3.46Å; K529-I539 HydrophobicContact CB-CD1 4.18Å; K529-I539 HydrophobicContact CB-CG2 4.04Å; K537-I539 HydrophobicContact CD-CG2 4.04Å; K537-I539 HydrophobicContact CG-CG2 3.89Å |
| 540 | D | 73.8 | Confident | 80 | Confident | 18 Ų | 18 | 51.2 Ų | 51.2 | 10% | 0.096 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 178.8 | -176 | -141.5 | -25.7 | 0 | 0 | 0 | 113.2 | Y485 I527 I545 A555 | Y485-D540 PolarHBondContact OH-OD2 2.9Å; I527-D540 HydrophobicContact CB-CB 3.68Å; I527-D540 HydrophobicContact CG1-CB 3.79Å; I527-D540 HydrophobicContact CG2-CB 4.4Å; I527-D540 PolarHBondContact N-O 3.03Å; I527-D540 PolarHBondContact O-N 3.05Å; D540-I545 HydrophobicContact CB-CD1 4.19Å; D540-I545 WeakPolarHBondContact OD1-CD1 3.33Å; D540-I545 WeakPolarHBondContact OD1-CG1 3.45Å; D540-I545 WeakPolarHBondContact OD2-CD1 3.45Å; D540-A555 WeakPolarHBondContact OD1-CB 3.18Å |
| 541 | R | 76.4 | Confident | 77.6 | Confident | 72 Ų | 72 | 50.9 Ų | 50.9 | 27% | 0.272 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 119.9 | 174 | -172.7 | 168.8 | -163 | -153.1 | 0.7 | 112.1 | G525 D526 K543 N544 I545 | G525-R541 CarbonylContact O-C 3.52Å; D526-R541 VanDerWaalsContact OD1-CD 3.31Å; D526-R541 WeakPolarHBondContact OD1-CD 3.5Å; D526-R541 VanDerWaalsContact OD1-CG 3.28Å; D526-R541 WeakPolarHBondContact OD1-CG 3.34Å; D526-R541 IonicContact OD1-NE 3.19Å; D526-R541 PolarHBondContact OD1-NE 3.31Å; R541-K543 PolarHBondContact O-N 3.35Å; R541-N544 HydrophobicContact CB-CB 4.26Å; R541-N544 HydrophobicContact CG-CB 4.43Å; R541-N544 PolarHBondContact NH1-ND2 2.98Å; R541-N544 PolarHBondContact O-N 3.25Å; R541-I545 WeakPolarHBondContact O-CD1 3.31Å; R541-I545 WeakPolarHBondContact O-CG1 3.32Å |
| 542 | K | 72.4 | Confident | 76.1 | Confident | 77 Ų | 77 | 52.3 Ų | 52.3 | 34% | 0.335 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | -37.5 | -173.4 | -171.4 | 172 | -177.3 | 161 | 0 | 114 | V480 E482 M483 G525 | V480-K542 HydrophobicContact CG1-CD 4.36Å; E482-K542 WeakPolarHBondContact OE1-CE 3.3Å; E482-K542 IonicContact OE1-NZ 3.81Å; E482-K542 PolarHBondContact OE1-NZ 3.29Å; M483-K542 HydrophobicContact SD-CB 4.46Å; M483-K542 HydrophobicContact SD-CG 4.13Å; G525-K542 VanDerWaalsContact O-CB 3.25Å; G525-K542 WeakPolarHBondContact O-CB 3.4Å; G525-K542 PolarHBondContact O-N 3.26Å |
| 543 | K | 67.9 | Low | 74.8 | Confident | 137 Ų | 137 | 49.5 Ų | 49.5 | 60% | 0.596 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92 | -10.9 | -176.4 | -67.3 | -175.7 | 178.4 | 178.4 | 0 | 115.4 | R541 | R541-K543 PolarHBondContact O-N 3.35Š|
| 544 | N | 63.9 | Low | 74 | Confident | 22 Ų | 22 | 48.1 Ų | 48.1 | 12% | 0.118 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -108.1 | 8.9 | -174.5 | -74.8 | -2.2 | 0 | 0 | 0 | 113.3 | R541 P556 E557 | R541-N544 HydrophobicContact CB-CB 4.26Å; R541-N544 HydrophobicContact CG-CB 4.43Å; R541-N544 PolarHBondContact NH1-ND2 2.98Å; R541-N544 PolarHBondContact O-N 3.25Å; N544-P556 WeakPolarHBondContact O-CD 3.38Å; N544-P556 VanDerWaalsContact O-CG 3.3Å; N544-P556 WeakPolarHBondContact O-CG 3.23Å; N544-E557 PolarHBondContact ND2-OE1 3.46Å |
| 545 | I | 64 | Low | 73.2 | Confident | 27 Ų | 27 | 48.5 Ų | 48.5 | 14% | 0.138 | 24% | 0.237 | C | C | . | . | trans | -97.9 | 143.1 | 180 | -63.3 | 159.4 | 0 | 0 | 0 | 109.1 | M483 D540 R541 Y553 I554 | M483-I545 HydrophobicContact CE-CD1 3.03Å; M483-I545 HydrophobicContact SD-CD1 3.8Å; D540-I545 HydrophobicContact CB-CD1 4.19Å; D540-I545 WeakPolarHBondContact OD1-CD1 3.33Å; D540-I545 WeakPolarHBondContact OD1-CG1 3.45Å; D540-I545 WeakPolarHBondContact OD2-CD1 3.45Å; R541-I545 WeakPolarHBondContact O-CD1 3.31Å; R541-I545 WeakPolarHBondContact O-CG1 3.32Å; I545-Y553 HydrophobicContact CG2-CD1 3.68Å; I545-Y553 HydrophobicContact CG2-CG 4.22Å; I545-I554 WeakPolarHBondContact CA-O 3.37Å; I545-I554 WeakPolarHBondContact CG2-O 3.48Å | ||
| 546 | F | 70 | Confident | 72.6 | Confident | 37 Ų | 37 | 48.6 Ų | 48.6 | 16% | 0.162 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 154.8 | 166 | 51.2 | -99.1 | 0 | 0 | 0 | 109.2 | L548 I554 P556 L583 | F546-L548 HydrophobicContact CD2-CD2 4.4Å; F546-L548 HydrophobicContact CE2-CD2 4.24Å; F546-I554 HydrophobicContact CD2-CB 3.96Å; F546-I554 HydrophobicContact CD2-CG1 4.35Å; F546-I554 HydrophobicContact CE2-CB 3.41Å; F546-I554 VanDerWaalsContact CE2-CB 3.41Å; F546-I554 HydrophobicContact CE2-CG1 3.85Å; F546-I554 HydrophobicContact CE2-CG2 3.59Å; F546-I554 HydrophobicContact CZ-CB 3.89Å; F546-I554 HydrophobicContact CZ-CG2 3.58Å; F546-I554 PolarHBondContact N-O 3.19Å; F546-I554 PolarHBondContact O-N 3.23Å; F546-P556 HydrophobicContact CD1-CG 4.48Å; F546-P556 HydrophobicContact CE1-CB 3.81Å; F546-P556 HydrophobicContact CE1-CG 3.78Å; F546-P556 HydrophobicContact CZ-CB 4.14Å; F546-L583 HydrophobicContact CE2-CD2 3.49Å; F546-L583 VanDerWaalsContact CE2-CD2 3.49Å; F546-L583 HydrophobicContact CZ-CD2 3.77Å |
| 547 | K | 68.1 | Low | 71.7 | Confident | 86 Ų | 86 | 51.4 Ų | 51.4 | 37% | 0.374 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 138.8 | 176.7 | -169.5 | 173.1 | -178.1 | 168.2 | 0 | 108.5 | G551 E552 Y553 S578 | K547-G551 WeakPolarHBondContact CE-O 3.45Å; K547-E552 CarbonylContact C-O 3.58Å; K547-E552 WeakPolarHBondContact CA-O 3.46Å; K547-Y553 HydrophobicContact CB-CD1 4.25Å; K547-Y553 HydrophobicContact CB-CE1 4.12Å; K547-Y553 HydrophobicContact CD-CE1 4.16Å; K547-Y553 HydrophobicContact CD-CE2 4.36Å; K547-Y553 HydrophobicContact CG-CE1 4.32Å; K547-S578 WeakPolarHBondContact O-CA 3.48Å; K547-S578 WeakPolarHBondContact O-CB 3.45Å; K547-S578 PolarHBondContact O-N 3.05Å; K547-S578 PolarHBondContact O-OG 2.74Å |
| 548 | L | 70.8 | Confident | 70.9 | Confident | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.016 | 25% | 0.252 | C | S | . | . | trans | -87.7 | 166.6 | 168.9 | -64.8 | 179.8 | 0 | 0 | 0 | 111 | F546 Q550 G551 E552 I554 L583 | F546-L548 HydrophobicContact CD2-CD2 4.4Å; F546-L548 HydrophobicContact CE2-CD2 4.24Å; L548-Q550 PolarHBondContact O-N 3.19Å; L548-Q550 VanDerWaalsContact O-N 3.08Å; L548-G551 PolarHBondContact O-N 2.83Å; L548-E552 PolarHBondContact N-O 2.92Å; L548-I554 HydrophobicContact CD1-CD1 3.8Å; L548-I554 HydrophobicContact CD1-CG1 3.73Å; L548-I554 HydrophobicContact CD2-CG1 4.41Å; L548-I554 HydrophobicContact CG-CD1 4.3Å; L548-I554 HydrophobicContact CG-CG1 3.69Å; L548-L583 HydrophobicContact CD1-CD2 4.27Å; L548-L583 HydrophobicContact CD1-CG 4.48Å; L548-L583 HydrophobicContact CD2-CD2 3.89Å | ||
| 549 | A | 67.2 | Low | 70.7 | Confident | 55 Ų | 55 | 49.4 Ų | 49.4 | 46% | 0.455 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -23.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | G551 S578 Q580 | A549-G551 PolarHBondContact O-N 3.45Å; A549-S578 VanDerWaalsContact CA-O 3.24Å; A549-S578 WeakPolarHBondContact CA-O 3.32Å; A549-S578 PolarHBondContact N-O 3.42Å; A549-Q580 PolarHBondContact N-O 2.61Å |
| 550 | Q | 58.8 | Low | 71 | Confident | 108 Ų | 108 | 48.1 Ų | 48.1 | 51% | 0.505 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -4.1 | 177.6 | -59.2 | 65.9 | 46 | 0 | 0 | 112.4 | L548 S581 | L548-Q550 PolarHBondContact O-N 3.19Å; L548-Q550 VanDerWaalsContact O-N 3.08Å; Q550-S581 VanDerWaalsContact OE1-CA 3.22Å; Q550-S581 PolarHBondContact OE1-O 2.82Å |
| 551 | G | 47.4 | Very low | 71.2 | Confident | 29 Ų | 29 | 50.3 Ų | 50.3 | 30% | 0.299 | 25% | 0.245 | S | C | . | . | S | Bend | trans | 92.4 | -1.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | K547 L548 A549 | K547-G551 WeakPolarHBondContact CE-O 3.45Å; L548-G551 PolarHBondContact O-N 2.83Å; A549-G551 PolarHBondContact O-N 3.45Å |
| 552 | E | 63 | Low | 71.5 | Confident | 81 Ų | 81 | 47.9 Ų | 47.9 | 38% | 0.379 | 24% | 0.238 | S | C | . | . | trans | -72.4 | 135.7 | 176.3 | -65.1 | -66.1 | 164.1 | 0 | 0 | 111.3 | K547 L548 F636 | K547-E552 CarbonylContact C-O 3.58Å; K547-E552 WeakPolarHBondContact CA-O 3.46Å; L548-E552 PolarHBondContact N-O 2.92Å; E552-F636 HydrophobicContact CB-CD2 4.09Å; E552-F636 HydrophobicContact CB-CE2 4.01Å; E552-F636 HydrophobicContact CB-CG 4.43Å; E552-F636 HydrophobicContact CB-CZ 4.26Å; E552-F636 HydrophobicContact CG-CD1 4.08Å; E552-F636 HydrophobicContact CG-CD2 4.28Å; E552-F636 HydrophobicContact CG-CE1 3.96Å; E552-F636 HydrophobicContact CG-CE2 4.19Å; E552-F636 HydrophobicContact CG-CG 4.19Å; E552-F636 HydrophobicContact CG-CZ 3.99Å; E552-F636 VanDerWaalsContact OE2-CZ 3.22Å; E552-F636 WeakPolarHBondContact OE2-CZ 3.46Å | ||
| 553 | Y | 64.6 | Low | 72.4 | Confident | 77 Ų | 77 | 44.2 Ų | 44.2 | 30% | 0.302 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 135.7 | 174.6 | -72.1 | -88.4 | 0 | 0 | 0 | 110.3 | E482 M483 I545 K547 | E482-Y553 WeakPolarHBondContact O-CE2 3.34Å; E482-Y553 PolarHBondContact O-OH 3.18Å; M483-Y553 HydrophobicContact CG-CD1 4.44Å; M483-Y553 HydrophobicContact CG-CE1 4.43Å; I545-Y553 HydrophobicContact CG2-CD1 3.68Å; I545-Y553 HydrophobicContact CG2-CG 4.22Å; K547-Y553 HydrophobicContact CB-CD1 4.25Å; K547-Y553 HydrophobicContact CB-CE1 4.12Å; K547-Y553 HydrophobicContact CD-CE1 4.16Å; K547-Y553 HydrophobicContact CD-CE2 4.36Å; K547-Y553 HydrophobicContact CG-CE1 4.32Å |
| 554 | I | 73.6 | Confident | 73.4 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 123.4 | -175.1 | -57 | -63.9 | 0 | 0 | 0 | 110.1 | I545 F546 L548 P556 I559 L583 F636 E637 | I545-I554 WeakPolarHBondContact CA-O 3.37Å; I545-I554 WeakPolarHBondContact CG2-O 3.48Å; F546-I554 HydrophobicContact CD2-CB 3.96Å; F546-I554 HydrophobicContact CD2-CG1 4.35Å; F546-I554 HydrophobicContact CE2-CB 3.41Å; F546-I554 VanDerWaalsContact CE2-CB 3.41Å; F546-I554 HydrophobicContact CE2-CG1 3.85Å; F546-I554 HydrophobicContact CE2-CG2 3.59Å; F546-I554 HydrophobicContact CZ-CB 3.89Å; F546-I554 HydrophobicContact CZ-CG2 3.58Å; F546-I554 PolarHBondContact N-O 3.19Å; F546-I554 PolarHBondContact O-N 3.23Å; L548-I554 HydrophobicContact CD1-CD1 3.8Å; L548-I554 HydrophobicContact CD1-CG1 3.73Å; L548-I554 HydrophobicContact CD2-CG1 4.41Å; L548-I554 HydrophobicContact CG-CD1 4.3Å; L548-I554 HydrophobicContact CG-CG1 3.69Å; I554-P556 WeakPolarHBondContact O-CD 3.36Å; I554-I559 HydrophobicContact CG2-CD1 3.6Å; I554-L583 HydrophobicContact CD1-CD1 4.39Å; I554-L583 HydrophobicContact CG1-CD2 4.16Å; I554-L583 HydrophobicContact CG2-CD1 3.86Å; I554-L583 HydrophobicContact CG2-CD2 3.97Å; I554-F636 HydrophobicContact CD1-CD2 3.57Å; I554-F636 HydrophobicContact CD1-CE2 3.93Å; I554-E637 HydrophobicContact CD1-CG 4.34Å |
| 555 | A | 76 | Confident | 74.2 | Confident | 9 Ų | 9 | 44.2 Ų | 44.2 | 7% | 0.074 | 22% | 0.222 | C | C | . | . | trans | -91.2 | 93.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | D540 E557 K558 | D540-A555 WeakPolarHBondContact OD1-CB 3.18Å; A555-E557 VanDerWaalsContact C-N 3.28Å; A555-E557 PolarHBondContact O-N 2.92Å; A555-K558 HydrophobicContact CB-CB 4.07Å; A555-K558 WeakPolarHBondContact O-CB 3.47Å; A555-K558 PolarHBondContact O-N 3Å | ||
| 556 | P | 83.8 | Confident | 75.3 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.013 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66 | -32.5 | -172.1 | 30.7 | -39.1 | 0 | 0 | 0 | 112 | N544 F546 I554 K558 I559 E560 V574 R664 | N544-P556 WeakPolarHBondContact O-CD 3.38Å; N544-P556 VanDerWaalsContact O-CG 3.3Å; N544-P556 WeakPolarHBondContact O-CG 3.23Å; F546-P556 HydrophobicContact CD1-CG 4.48Å; F546-P556 HydrophobicContact CE1-CB 3.81Å; F546-P556 HydrophobicContact CE1-CG 3.78Å; F546-P556 HydrophobicContact CZ-CB 4.14Å; I554-P556 WeakPolarHBondContact O-CD 3.36Å; P556-K558 VanDerWaalsContact C-N 3.3Å; P556-K558 PolarHBondContact O-N 2.98Å; P556-I559 WeakPolarHBondContact O-CB 3.26Å; P556-I559 PolarHBondContact O-N 3.38Å; P556-I559 VanDerWaalsContact O-N 3.08Å; P556-E560 VanDerWaalsContact O-CG 3.24Å; P556-E560 WeakPolarHBondContact O-CG 3.43Å; P556-E560 PolarHBondContact O-N 3.38Å; P556-V574 HydrophobicContact CB-CB 4.04Å; P556-V574 HydrophobicContact CB-CG1 4.08Å; P556-R664 VanDerWaalsContact CB-NH2 3.28Å |
| 557 | E | 77.4 | Confident | 76.1 | Confident | 59 Ų | 59 | 45.4 Ų | 45.4 | 28% | 0.276 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.8 | -36.1 | 177.2 | -67.6 | -176.8 | -160.3 | 0 | 0 | 112.4 | N544 A555 I559 E560 N561 | N544-E557 PolarHBondContact ND2-OE1 3.46Å; A555-E557 VanDerWaalsContact C-N 3.28Å; A555-E557 PolarHBondContact O-N 2.92Å; E557-I559 VanDerWaalsContact C-N 3.28Å; E557-I559 PolarHBondContact O-N 3.32Å; E557-E560 WeakPolarHBondContact CA-OE2 3.1Å; E557-E560 PolarHBondContact O-N 3.49Å; E557-N561 WeakPolarHBondContact O-CB 3.42Å; E557-N561 VanDerWaalsContact O-CG 3.29Å; E557-N561 PolarHBondContact O-N 3.13Å; E557-N561 PolarHBondContact O-ND2 2.87Å |
| 558 | K | 76.8 | Confident | 77.2 | Confident | 93 Ų | 93 | 41.3 Ų | 41.3 | 40% | 0.404 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59.1 | -44.5 | 174.4 | 176.1 | -168.8 | 167.7 | -162.8 | 0 | 110.5 | A555 P556 V562 E637 | A555-K558 HydrophobicContact CB-CB 4.07Å; A555-K558 WeakPolarHBondContact O-CB 3.47Å; A555-K558 PolarHBondContact O-N 3Å; P556-K558 VanDerWaalsContact C-N 3.3Å; P556-K558 PolarHBondContact O-N 2.98Å; K558-V562 WeakPolarHBondContact O-CG2 3.42Å; K558-V562 PolarHBondContact O-N 2.91Å; K558-E637 VanDerWaalsContact NZ-CD 3.34Å; K558-E637 IonicContact NZ-OE1 3.41Å; K558-E637 PolarHBondContact NZ-OE1 2.71Å; K558-E637 IonicContact NZ-OE2 3.23Å; K558-E637 PolarHBondContact NZ-OE2 3.23Å |
| 559 | I | 86.2 | Confident | 78.3 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.9 | -44.7 | -177.1 | -60.1 | 169.3 | 0 | 0 | 0 | 110.1 | I554 P556 E557 N561 V562 Y563 V574 L583 L633 E637 | I554-I559 HydrophobicContact CG2-CD1 3.6Å; P556-I559 WeakPolarHBondContact O-CB 3.26Å; P556-I559 PolarHBondContact O-N 3.38Å; P556-I559 VanDerWaalsContact O-N 3.08Å; E557-I559 VanDerWaalsContact C-N 3.28Å; E557-I559 PolarHBondContact O-N 3.32Å; I559-N561 PolarHBondContact O-N 2.92Å; I559-V562 WeakPolarHBondContact O-CB 3.39Å; I559-V562 PolarHBondContact O-N 3.45Å; I559-V562 VanDerWaalsContact O-N 3.08Å; I559-Y563 HydrophobicContact CG2-CD2 3.58Å; I559-Y563 HydrophobicContact CG2-CE2 3.14Å; I559-Y563 HydrophobicContact CG2-CG 4.47Å; I559-Y563 PolarHBondContact O-N 2.8Å; I559-V574 HydrophobicContact CB-CG2 4.29Å; I559-V574 HydrophobicContact CD1-CG1 4.46Å; I559-V574 HydrophobicContact CG2-CG1 4.47Å; I559-V574 HydrophobicContact CG2-CG2 3.84Å; I559-L583 HydrophobicContact CD1-CD1 3.44Å; I559-L583 VanDerWaalsContact CD1-CD1 3.44Å; I559-L633 HydrophobicContact CG1-CD1 4.46Å; I559-L633 HydrophobicContact CG1-CD2 4.3Å; I559-L633 HydrophobicContact CG2-CD1 4.06Å; I559-E637 HydrophobicContact CD1-CB 3.88Å; I559-E637 HydrophobicContact CD1-CG 4.33Å; I559-E637 WeakPolarHBondContact CD1-O 3.36Å; I559-E637 HydrophobicContact CG1-CB 4.17Å |
| 560 | E | 88.5 | Confident | 79.3 | Confident | 19 Ų | 19 | 40.1 Ų | 40.1 | 9% | 0.089 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.8 | -44.2 | 178 | -71.9 | 169.2 | 163.1 | 0 | 0 | 112.5 | P556 E557 V562 Y563 V564 V572 F573 V574 R664 | P556-E560 VanDerWaalsContact O-CG 3.24Å; P556-E560 WeakPolarHBondContact O-CG 3.43Å; P556-E560 PolarHBondContact O-N 3.38Å; E557-E560 WeakPolarHBondContact CA-OE2 3.1Å; E557-E560 PolarHBondContact O-N 3.49Å; E560-V562 PolarHBondContact O-N 3.22Å; E560-Y563 PolarHBondContact O-N 3.3Å; E560-Y563 VanDerWaalsContact O-N 3.16Å; E560-V564 PolarHBondContact O-N 3.27Å; E560-V572 HydrophobicContact CB-CG1 3.76Å; E560-V572 HydrophobicContact CG-CG1 3.94Å; E560-V572 HydrophobicContact CG-CG2 4.47Å; E560-V572 WeakPolarHBondContact O-CG1 3.44Å; E560-F573 VanDerWaalsContact OE1-CA 3.24Å; E560-F573 WeakPolarHBondContact OE1-CA 3.31Å; E560-V574 HydrophobicContact CG-CB 3.91Å; E560-V574 HydrophobicContact CG-CG2 3.55Å; E560-V574 PolarHBondContact OE1-N 3.39Å; E560-R664 IonicContact OE1-CZ 3.78Å; E560-R664 IonicContact OE1-NH1 3.14Å; E560-R664 IonicContact OE1-NH2 2.55Å; E560-R664 PolarHBondContact OE1-NH2 3.24Å; E560-R664 IonicContact OE2-NH2 3.54Å; E560-R664 PolarHBondContact OE2-NH2 2.67Å |
| 561 | N | 78.1 | Confident | 80.9 | Confident | 64 Ų | 64 | 36 Ų | 36 | 34% | 0.342 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -64.4 | -24.5 | 177.5 | -75.6 | -50.8 | 0 | 0 | 0 | 113.3 | P423 E557 I559 | P423-N561 WeakPolarHBondContact CG-ND2 3.45Å; E557-N561 WeakPolarHBondContact O-CB 3.42Å; E557-N561 VanDerWaalsContact O-CG 3.29Å; E557-N561 PolarHBondContact O-N 3.13Å; E557-N561 PolarHBondContact O-ND2 2.87Å; I559-N561 PolarHBondContact O-N 2.92Å |
| 562 | V | 82.4 | Confident | 83.2 | Confident | 20 Ų | 20 | 35.2 Ų | 35.2 | 12% | 0.121 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -77.9 | -47.9 | 171.6 | 173 | 0 | 0 | 0 | 0 | 110.2 | K558 I559 E560 V564 R565 A631 L633 | K558-V562 WeakPolarHBondContact O-CG2 3.42Å; K558-V562 PolarHBondContact O-N 2.91Å; I559-V562 WeakPolarHBondContact O-CB 3.39Å; I559-V562 PolarHBondContact O-N 3.45Å; I559-V562 VanDerWaalsContact O-N 3.08Å; E560-V562 PolarHBondContact O-N 3.22Å; V562-V564 PolarHBondContact O-N 3.41Å; V562-R565 VanDerWaalsContact O-CB 3.31Å; V562-R565 WeakPolarHBondContact O-CB 3.47Å; V562-R565 PolarHBondContact O-N 3.11Å; V562-A631 HydrophobicContact CB-CB 4.37Å; V562-A631 HydrophobicContact CG1-CB 3.55Å; V562-A631 HydrophobicContact CG2-CB 3.82Å; V562-L633 HydrophobicContact CB-CD1 4.2Å; V562-L633 HydrophobicContact CG1-CD1 4.08Å; V562-L633 HydrophobicContact CG1-CG 4.47Å; V562-L633 HydrophobicContact CG2-CD1 4.48Å; V562-L633 HydrophobicContact CG2-CD2 4.3Å; V562-L633 HydrophobicContact CG2-CG 4.44Å |
| 563 | Y | 92.1 | Very high | 84.7 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -71.2 | -28.7 | -174.4 | -69.6 | -24.6 | 0 | 0 | 0 | 114.9 | I559 E560 R565 C566 V572 V574 M624 L633 Q638 V639 | I559-Y563 HydrophobicContact CG2-CD2 3.58Å; I559-Y563 HydrophobicContact CG2-CE2 3.14Å; I559-Y563 HydrophobicContact CG2-CG 4.47Å; I559-Y563 PolarHBondContact O-N 2.8Å; E560-Y563 PolarHBondContact O-N 3.3Å; E560-Y563 VanDerWaalsContact O-N 3.16Å; Y563-R565 PolarHBondContact O-N 3.09Å; Y563-C566 WeakPolarHBondContact O-CB 3.44Å; Y563-C566 PolarHBondContact O-N 3.4Å; Y563-V572 HydrophobicContact CD2-CG2 4.4Å; Y563-V574 HydrophobicContact CD2-CG2 4.27Å; Y563-V574 HydrophobicContact CE2-CG2 4.46Å; Y563-M624 HydrophobicContact CD1-CB 3.86Å; Y563-M624 HydrophobicContact CD1-CE 4.07Å; Y563-M624 HydrophobicContact CD1-CG 4.22Å; Y563-M624 HydrophobicContact CD2-CE 3.36Å; Y563-M624 HydrophobicContact CE1-CB 4.03Å; Y563-M624 HydrophobicContact CE1-CE 4.5Å; Y563-M624 VanDerWaalsContact CE1-O 3.26Å; Y563-M624 WeakPolarHBondContact CE1-O 3.31Å; Y563-M624 HydrophobicContact CE2-CE 3.84Å; Y563-M624 HydrophobicContact CG-CB 4.4Å; Y563-M624 HydrophobicContact CG-CE 3.48Å; Y563-M624 VanDerWaalsContact CG-CE 3.48Å; Y563-M624 HydrophobicContact CG-CG 4.37Å; Y563-L633 HydrophobicContact CE1-CD1 4.01Å; Y563-Q638 VanDerWaalsContact OH-CA 3.31Å; Y563-Q638 WeakPolarHBondContact OH-CA 3.46Å; Y563-Q638 PolarHBondContact OH-OE1 3.18Å; Y563-V639 HydrophobicContact CD2-CG2 4.29Å; Y563-V639 HydrophobicContact CE2-CB 4.17Å; Y563-V639 HydrophobicContact CE2-CG1 3.8Å; Y563-V639 HydrophobicContact CE2-CG2 3.45Å; Y563-V639 VanDerWaalsContact CE2-CG2 3.45Å; Y563-V639 PolarHBondContact OH-N 3.39Å; Y563-V639 VanDerWaalsContact OH-N 3.08Å |
| 564 | V | 88 | Confident | 86.2 | Confident | 49 Ų | 49 | 27.8 Ų | 27.8 | 30% | 0.297 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -11.6 | 174.1 | 79.3 | 0 | 0 | 0 | 0 | 113 | E560 V562 C566 A570 V572 | E560-V564 PolarHBondContact O-N 3.27Å; V562-V564 PolarHBondContact O-N 3.41Å; V564-C566 VanDerWaalsContact C-N 3.28Å; V564-A570 WeakPolarHBondContact CG2-O 3.48Å; V564-V572 HydrophobicContact CB-CG1 4.46Å |
| 565 | R | 81.8 | Confident | 87.1 | Confident | 111 Ų | 111 | 28.5 Ų | 28.5 | 42% | 0.419 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -9.9 | 172.5 | -58.7 | 172.3 | 57.8 | -160.1 | -5.1 | 113.1 | V562 Y563 S567 | V562-R565 VanDerWaalsContact O-CB 3.31Å; V562-R565 WeakPolarHBondContact O-CB 3.47Å; V562-R565 PolarHBondContact O-N 3.11Å; Y563-R565 PolarHBondContact O-N 3.09Å; R565-S567 PolarHBondContact O-N 2.85Å |
| 566 | C | 87.1 | Confident | 87.6 | Confident | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.014 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -68.1 | 119 | 174.4 | -171.6 | 0 | 0 | 0 | 0 | 108.2 | Y563 V564 P568 V569 M624 L627 | Y563-C566 WeakPolarHBondContact O-CB 3.44Å; Y563-C566 PolarHBondContact O-N 3.4Å; V564-C566 VanDerWaalsContact C-N 3.28Å; C566-P568 VanDerWaalsContact C-CD 3.48Å; C566-P568 VanDerWaalsContact C-N 3.34Å; C566-P568 VanDerWaalsContact O-N 3.15Å; C566-V569 HydrophobicContact CB-CB 4.05Å; C566-V569 HydrophobicContact CB-CG2 3.69Å; C566-V569 WeakPolarHBondContact O-CA 3.31Å; C566-V569 WeakPolarHBondContact O-CB 3.47Å; C566-V569 PolarHBondContact O-N 2.81Å; C566-M624 HydrophobicContact CB-CG 3.99Å; C566-L627 VanDerWaalsContact CA-CD1 3.44Å; C566-L627 HydrophobicContact CB-CD1 3.74Å |
| 567 | S | 86.8 | Confident | 87.1 | Confident | 86 Ų | 86 | 30.6 Ų | 30.6 | 60% | 0.601 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.8 | -41.5 | -170.6 | -171.2 | 0 | 0 | 0 | 0 | 115.6 | R565 V569 V593 | R565-S567 PolarHBondContact O-N 2.85Å; S567-V569 VanDerWaalsContact C-N 3.26Å; S567-V569 PolarHBondContact O-N 3.1Å; S567-V593 WeakPolarHBondContact O-CG1 3.33Å; S567-V593 WeakPolarHBondContact OG-CG1 3.43Å |
| 568 | P | 91 | Very high | 86.8 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -1 | 176.8 | 30.5 | -36.9 | 0 | 0 | 0 | 114.5 | C566 P589 D590 L594 F597 I620 | C566-P568 VanDerWaalsContact C-CD 3.48Å; C566-P568 VanDerWaalsContact C-N 3.34Å; C566-P568 VanDerWaalsContact O-N 3.15Å; P568-P589 CarbonylContact O-C 3.46Å; P568-P589 WeakPolarHBondContact O-CA 3.46Å; P568-P589 WeakPolarHBondContact O-CB 3.35Å; P568-D590 PolarHBondContact O-N 2.75Å; P568-L594 HydrophobicContact CB-CD1 3.91Å; P568-F597 HydrophobicContact CB-CB 4.29Å; P568-F597 HydrophobicContact CB-CD1 4.08Å; P568-F597 HydrophobicContact CB-CD2 4.39Å; P568-F597 HydrophobicContact CB-CG 4Å; P568-F597 HydrophobicContact CG-CD1 4.22Å; P568-F597 HydrophobicContact CG-CD2 4.14Å; P568-F597 HydrophobicContact CG-CE1 4.22Å; P568-F597 HydrophobicContact CG-CE2 4.13Å; P568-F597 HydrophobicContact CG-CG 4.18Å; P568-F597 HydrophobicContact CG-CZ 4.17Å; P568-I620 HydrophobicContact CB-CD1 4.36Å; P568-I620 HydrophobicContact CB-CG1 4.28Å; P568-I620 HydrophobicContact CG-CD1 4.41Å; P568-I620 HydrophobicContact CG-CG1 3.84Å |
| 569 | V | 93.4 | Very high | 86.5 | Confident | 7 Ų | 7 | 33.5 Ų | 33.5 | 4% | 0.042 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 118.6 | -172.7 | 179.3 | 0 | 0 | 0 | 0 | 111 | C566 S567 V572 V587 I620 M624 | C566-V569 HydrophobicContact CB-CB 4.05Å; C566-V569 HydrophobicContact CB-CG2 3.69Å; C566-V569 WeakPolarHBondContact O-CA 3.31Å; C566-V569 WeakPolarHBondContact O-CB 3.47Å; C566-V569 PolarHBondContact O-N 2.81Å; S567-V569 VanDerWaalsContact C-N 3.26Å; S567-V569 PolarHBondContact O-N 3.1Å; V569-V572 HydrophobicContact CG1-CB 4.38Å; V569-V587 HydrophobicContact CB-CG1 4.32Å; V569-V587 HydrophobicContact CG1-CG1 3.86Å; V569-V587 HydrophobicContact CG2-CG1 3.77Å; V569-I620 HydrophobicContact CG2-CG2 3.89Å; V569-M624 HydrophobicContact CG2-CG 4.46Å; V569-M624 HydrophobicContact CG2-SD 4.29Å |
| 570 | A | 88.6 | Confident | 86.2 | Confident | 27 Ų | 27 | 35.2 Ų | 35.2 | 22% | 0.223 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | -41.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V564 V588 D590 L648 | V564-A570 WeakPolarHBondContact CG2-O 3.48Å; A570-V588 PolarHBondContact N-O 2.91Å; A570-D590 HydrophobicContact CB-CB 3.97Å; A570-L648 HydrophobicContact CB-CD2 4.08Å |
| 571 | Q | 92.9 | Very high | 85.8 | Confident | 21 Ų | 21 | 37.3 Ų | 37.3 | 10% | 0.098 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 153.1 | 179.2 | -57.8 | 173.9 | -71.6 | 0 | 0 | 110.3 | V588 L648 F649 | Q571-V588 HydrophobicContact CB-CB 4.05Å; Q571-V588 HydrophobicContact CB-CG2 4.25Å; Q571-V588 PolarHBondContact N-O 3.1Å; Q571-V588 VanDerWaalsContact N-O 3.09Å; Q571-V588 PolarHBondContact O-N 3.27Å; Q571-L648 HydrophobicContact CG-CD2 4.32Å; Q571-F649 HydrophobicContact CB-CD2 4.06Å; Q571-F649 HydrophobicContact CB-CE2 4.27Å; Q571-F649 PolarHBondContact NE2-O 3.02Å; Q571-F649 PolarHBondContact OE1-O 2.88Å |
| 572 | V | 95.4 | Very high | 86.3 | Confident | 13 Ų | 13 | 34.8 Ų | 34.8 | 8% | 0.079 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 135.9 | 179 | 55.3 | 0 | 0 | 0 | 0 | 109.7 | E560 Y563 V564 V569 V574 A585 I586 V587 M624 | E560-V572 HydrophobicContact CB-CG1 3.76Å; E560-V572 HydrophobicContact CG-CG1 3.94Å; E560-V572 HydrophobicContact CG-CG2 4.47Å; E560-V572 WeakPolarHBondContact O-CG1 3.44Å; Y563-V572 HydrophobicContact CD2-CG2 4.4Å; V564-V572 HydrophobicContact CB-CG1 4.46Å; V569-V572 HydrophobicContact CG1-CB 4.38Å; V572-V574 HydrophobicContact CG2-CG2 4.08Å; V572-A585 HydrophobicContact CG2-CB 4.07Å; V572-I586 CarbonylContact C-O 3.57Å; V572-I586 WeakPolarHBondContact CA-O 3.26Å; V572-V587 HydrophobicContact CG2-CG2 4.15Å; V572-M624 HydrophobicContact CG2-CE 4.46Å |
| 573 | F | 95.1 | Very high | 86.8 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.009 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 102.7 | 171.6 | 172 | -112.3 | 0 | 0 | 0 | 108.8 | E560 H575 A585 I586 F649 R664 L667 K668 I675 | E560-F573 VanDerWaalsContact OE1-CA 3.24Å; E560-F573 WeakPolarHBondContact OE1-CA 3.31Å; F573-H575 HydrophobicContact CE1-CB 4.19Å; F573-A585 CarbonylContact O-C 3.56Å; F573-A585 WeakPolarHBondContact O-CA 3.46Å; F573-A585 WeakPolarHBondContact O-CB 3.2Å; F573-I586 HydrophobicContact CB-CB 4.29Å; F573-I586 HydrophobicContact CD1-CB 4.4Å; F573-I586 HydrophobicContact CD1-CG1 3.97Å; F573-I586 PolarHBondContact N-O 3.47Å; F573-I586 PolarHBondContact O-N 3.01Å; F573-F649 HydrophobicContact CB-CE2 3.92Å; F573-F649 HydrophobicContact CB-CZ 4.26Å; F573-R664 HydrophobicContact CE2-CB 4.01Å; F573-R664 HydrophobicContact CE2-CG 4.04Å; F573-L667 HydrophobicContact CB-CD1 4.39Å; F573-L667 HydrophobicContact CD1-CB 4.09Å; F573-L667 HydrophobicContact CD2-CB 3.97Å; F573-L667 HydrophobicContact CD2-CD1 3.67Å; F573-L667 HydrophobicContact CD2-CG 4.42Å; F573-L667 HydrophobicContact CE1-CB 3.9Å; F573-L667 HydrophobicContact CE2-CB 3.74Å; F573-L667 HydrophobicContact CE2-CD1 4.06Å; F573-L667 HydrophobicContact CG-CB 4.13Å; F573-L667 HydrophobicContact CG-CD1 4.08Å; F573-L667 HydrophobicContact CZ-CB 3.72Å; F573-K668 HydrophobicContact CZ-CB 4.28Å; F573-I675 HydrophobicContact CE1-CD1 4.19Å |
| 574 | V | 94.8 | Very high | 87 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 133.9 | 174.9 | 175.7 | 0 | 0 | 0 | 0 | 109.2 | P556 I559 E560 Y563 V572 L583 A585 V639 R664 | P556-V574 HydrophobicContact CB-CB 4.04Å; P556-V574 HydrophobicContact CB-CG1 4.08Å; I559-V574 HydrophobicContact CB-CG2 4.29Å; I559-V574 HydrophobicContact CD1-CG1 4.46Å; I559-V574 HydrophobicContact CG2-CG1 4.47Å; I559-V574 HydrophobicContact CG2-CG2 3.84Å; E560-V574 HydrophobicContact CG-CB 3.91Å; E560-V574 HydrophobicContact CG-CG2 3.55Å; E560-V574 PolarHBondContact OE1-N 3.39Å; Y563-V574 HydrophobicContact CD2-CG2 4.27Å; Y563-V574 HydrophobicContact CE2-CG2 4.46Å; V572-V574 HydrophobicContact CG2-CG2 4.08Å; V574-L583 HydrophobicContact CG1-CB 4.43Å; V574-L583 HydrophobicContact CG1-CD1 4.16Å; V574-A585 HydrophobicContact CG2-CB 4.24Å; V574-V639 HydrophobicContact CG1-CG1 4.21Å; V574-V639 HydrophobicContact CG2-CG1 4.16Å; V574-R664 PolarHBondContact O-NH1 3.36Å |
| 575 | H | 92.7 | Very high | 87.4 | Confident | 15 Ų | 15 | 31.6 Ų | 31.6 | 7% | 0.069 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 146.4 | 177.7 | -178.4 | 68.8 | 0 | 0 | 0 | 110.7 | F573 V584 I675 Y679 | F573-H575 HydrophobicContact CE1-CB 4.19Å; H575-V584 HydrophobicContact CB-CG2 4.25Å; H575-V584 PolarHBondContact N-O 3.49Å; H575-V584 PolarHBondContact O-N 2.99Å; H575-V584 VanDerWaalsContact O-O 3.09Å; H575-I675 HydrophobicContact CB-CD1 4.37Å; H575-I675 WeakPolarHBondContact CD2-CG2 3.46Å; H575-Y679 AromaticContact CD2-CE2 3.87Å |
| 576 | G | 85.8 | Confident | 88.2 | Confident | 5 Ų | 5 | 26.3 Ų | 26.3 | 5% | 0.052 | 16% | 0.161 | C | C | . | . | trans | -145.6 | 153.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y679 | G576-Y679 WeakPolarHBondContact CA-OH 3.49Š| ||
| 577 | D | 75.2 | Confident | 88.7 | Confident | 49 Ų | 49 | 26.2 Ų | 26.2 | 26% | 0.262 | 16% | 0.161 | S | C | . | . | trans | -126.9 | 145.7 | 178.3 | -169.7 | -73.1 | 0 | 0 | 0 | 109.8 | L579 Q580 Y679 | D577-L579 PolarHBondContact O-N 3.21Å; D577-L579 WeakPolarHBondContact OD1-CB 3.06Å; D577-L579 PolarHBondContact OD1-N 3.37Å; D577-Q580 HydrophobicContact CB-CB 4.24Å; D577-Q580 HydrophobicContact CB-CG 3.85Å; D577-Q580 PolarHBondContact O-N 3.06Å; D577-Y679 HydrophobicContact CB-CE2 4.47Å; D577-Y679 PolarHBondContact N-OH 3.32Å | ||
| 578 | S | 70.4 | Confident | 89.1 | Confident | 66 Ų | 66 | 22.1 Ų | 22.1 | 46% | 0.462 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -13.2 | -179.6 | -61.9 | 0 | 0 | 0 | 0 | 114.8 | K547 A549 | K547-S578 WeakPolarHBondContact O-CA 3.48Å; K547-S578 WeakPolarHBondContact O-CB 3.45Å; K547-S578 PolarHBondContact O-N 3.05Å; K547-S578 PolarHBondContact O-OG 2.74Å; A549-S578 VanDerWaalsContact CA-O 3.24Å; A549-S578 WeakPolarHBondContact CA-O 3.32Å; A549-S578 PolarHBondContact N-O 3.42Å |
| 579 | L | 71.2 | Confident | 89.3 | Confident | 147 Ų | 147 | 22.3 Ų | 22.3 | 77% | 0.77 | 13% | 0.133 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -7.7 | 171.2 | -57.3 | 178.2 | 0 | 0 | 0 | 112.9 | D577 | D577-L579 PolarHBondContact O-N 3.21Å; D577-L579 WeakPolarHBondContact OD1-CB 3.06Å; D577-L579 PolarHBondContact OD1-N 3.37Å |
| 580 | Q | 79.4 | Confident | 89.1 | Confident | 36 Ų | 36 | 24.4 Ų | 24.4 | 17% | 0.168 | 14% | 0.144 | C | C | . | . | trans | -109.4 | 147.5 | -173.5 | -60.6 | -67.6 | -12.7 | 0 | 0 | 111.7 | A549 D577 Y679 | A549-Q580 PolarHBondContact N-O 2.61Å; D577-Q580 HydrophobicContact CB-CB 4.24Å; D577-Q580 HydrophobicContact CB-CG 3.85Å; D577-Q580 PolarHBondContact O-N 3.06Å; Q580-Y679 HydrophobicContact CB-CD1 3.93Å; Q580-Y679 HydrophobicContact CB-CE1 3.49Å; Q580-Y679 VanDerWaalsContact CB-CE1 3.49Å; Q580-Y679 HydrophobicContact CG-CD1 3.58Å; Q580-Y679 HydrophobicContact CG-CD2 4.16Å; Q580-Y679 HydrophobicContact CG-CE1 3.5Å; Q580-Y679 VanDerWaalsContact CG-CE1 3.5Å; Q580-Y679 HydrophobicContact CG-CE2 4.05Å; Q580-Y679 HydrophobicContact CG-CG 3.93Å | ||
| 581 | S | 79.9 | Confident | 89.1 | Confident | 63 Ų | 63 | 26.3 Ų | 26.3 | 44% | 0.441 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -90.9 | -2.4 | -178.9 | 66.7 | 0 | 0 | 0 | 0 | 115.3 | Q550 | Q550-S581 VanDerWaalsContact OE1-CA 3.22Å; Q550-S581 PolarHBondContact OE1-O 2.82Å |
| 582 | S | 87.3 | Confident | 88.7 | Confident | 12 Ų | 12 | 32.5 Ų | 32.5 | 8% | 0.084 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -144.6 | 154.1 | -159.5 | -66 | 0 | 0 | 0 | 0 | 109.2 | Y679 | S582-Y679 WeakPolarHBondContact O-CE1 3.37Š|
| 583 | L | 92.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 147.9 | 173 | -60.1 | 177.7 | 0 | 0 | 0 | 111.1 | F546 L548 I554 I559 V574 F636 V639 K640 | F546-L583 HydrophobicContact CE2-CD2 3.49Å; F546-L583 VanDerWaalsContact CE2-CD2 3.49Å; F546-L583 HydrophobicContact CZ-CD2 3.77Å; L548-L583 HydrophobicContact CD1-CD2 4.27Å; L548-L583 HydrophobicContact CD1-CG 4.48Å; L548-L583 HydrophobicContact CD2-CD2 3.89Å; I554-L583 HydrophobicContact CD1-CD1 4.39Å; I554-L583 HydrophobicContact CG1-CD2 4.16Å; I554-L583 HydrophobicContact CG2-CD1 3.86Å; I554-L583 HydrophobicContact CG2-CD2 3.97Å; I559-L583 HydrophobicContact CD1-CD1 3.44Å; I559-L583 VanDerWaalsContact CD1-CD1 3.44Å; V574-L583 HydrophobicContact CG1-CB 4.43Å; V574-L583 HydrophobicContact CG1-CD1 4.16Å; L583-F636 WeakPolarHBondContact CD1-O 3.48Å; L583-V639 HydrophobicContact CB-CB 4.48Å; L583-V639 HydrophobicContact CB-CG1 3.81Å; L583-V639 CarbonylContact O-C 3.52Å; L583-V639 WeakPolarHBondContact O-CA 3.3Å; L583-K640 PolarHBondContact O-N 2.84Å |
| 584 | V | 96.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 160.1 | 170.7 | -62.5 | 0 | 0 | 0 | 0 | 109.3 | H575 D641 I675 L678 Y679 I682 | H575-V584 HydrophobicContact CB-CG2 4.25Å; H575-V584 PolarHBondContact N-O 3.49Å; H575-V584 PolarHBondContact O-N 2.99Å; H575-V584 VanDerWaalsContact O-O 3.09Å; V584-D641 WeakPolarHBondContact CA-O 3.33Å; V584-I675 HydrophobicContact CG2-CG2 4.24Å; V584-L678 HydrophobicContact CB-CB 3.99Å; V584-L678 HydrophobicContact CB-CD1 3.94Å; V584-L678 HydrophobicContact CG1-CB 3.7Å; V584-L678 HydrophobicContact CG2-CB 4.5Å; V584-L678 HydrophobicContact CG2-CD1 4.4Å; V584-Y679 HydrophobicContact CG1-CD1 3.9Å; V584-Y679 HydrophobicContact CG1-CE1 3.74Å; V584-Y679 HydrophobicContact CG1-CG 4.41Å; V584-Y679 HydrophobicContact CG2-CD2 4.45Å; V584-Y679 HydrophobicContact CG2-CE1 4.13Å; V584-Y679 HydrophobicContact CG2-CE2 3.87Å; V584-I682 HydrophobicContact CG1-CD1 3.44Å; V584-I682 VanDerWaalsContact CG1-CD1 3.44Å |
| 585 | A | 97.3 | Very high | 87.7 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.008 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 153.1 | 176 | 0 | 0 | 0 | 0 | 0 | 114.5 | V572 F573 V574 V639 D641 V642 H643 | V572-A585 HydrophobicContact CG2-CB 4.07Å; F573-A585 CarbonylContact O-C 3.56Å; F573-A585 WeakPolarHBondContact O-CA 3.46Å; F573-A585 WeakPolarHBondContact O-CB 3.2Å; V574-A585 HydrophobicContact CG2-CB 4.24Å; A585-V639 HydrophobicContact CB-CB 4.47Å; A585-V639 HydrophobicContact CB-CG1 3.88Å; A585-D641 PolarHBondContact N-O 3.29Å; A585-D641 VanDerWaalsContact N-O 3.14Å; A585-V642 HydrophobicContact CB-CG1 4.14Å; A585-V642 CarbonylContact O-C 2.93Å; A585-V642 WeakPolarHBondContact O-CA 3.38Å; A585-V642 WeakPolarHBondContact O-CB 3.45Å; A585-H643 PolarHBondContact O-N 3.38Å |
| 586 | I | 97.9 | Very high | 87.4 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 124.1 | 163.5 | -47.8 | -58.4 | 0 | 0 | 0 | 107.2 | V572 F573 H643 H645 F649 F671 Q674 I675 L678 | V572-I586 CarbonylContact C-O 3.57Å; V572-I586 WeakPolarHBondContact CA-O 3.26Å; F573-I586 HydrophobicContact CB-CB 4.29Å; F573-I586 HydrophobicContact CD1-CB 4.4Å; F573-I586 HydrophobicContact CD1-CG1 3.97Å; F573-I586 PolarHBondContact N-O 3.47Å; F573-I586 PolarHBondContact O-N 3.01Å; I586-H643 HydrophobicContact CD1-CB 3.76Å; I586-H645 HydrophobicContact CG2-CB 3.88Å; I586-F649 HydrophobicContact CB-CZ 4.4Å; I586-F649 HydrophobicContact CG2-CE1 4.49Å; I586-F649 HydrophobicContact CG2-CZ 4Å; I586-F671 HydrophobicContact CB-CD2 4.5Å; I586-F671 HydrophobicContact CD1-CB 3.9Å; I586-F671 HydrophobicContact CD1-CD1 4.26Å; I586-F671 HydrophobicContact CD1-CG 4.08Å; I586-F671 HydrophobicContact CG1-CB 3.85Å; I586-F671 HydrophobicContact CG1-CD1 4.31Å; I586-F671 HydrophobicContact CG1-CD2 4.01Å; I586-F671 HydrophobicContact CG1-CG 3.8Å; I586-F671 HydrophobicContact CG2-CD1 4.16Å; I586-F671 HydrophobicContact CG2-CD2 4.22Å; I586-F671 HydrophobicContact CG2-CE1 4.05Å; I586-F671 HydrophobicContact CG2-CE2 4.11Å; I586-F671 HydrophobicContact CG2-CG 4.26Å; I586-F671 HydrophobicContact CG2-CZ 4.04Å; I586-Q674 HydrophobicContact CD1-CB 4.23Å; I586-I675 HydrophobicContact CD1-CG1 4.36Å; I586-L678 HydrophobicContact CD1-CD1 4.39Å |
| 587 | V | 97.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 124.3 | -177.7 | 170.1 | 0 | 0 | 0 | 0 | 108.4 | V569 V572 I620 M624 V642 H643 L644 H645 | V569-V587 HydrophobicContact CB-CG1 4.32Å; V569-V587 HydrophobicContact CG1-CG1 3.86Å; V569-V587 HydrophobicContact CG2-CG1 3.77Å; V572-V587 HydrophobicContact CG2-CG2 4.15Å; V587-I620 HydrophobicContact CG1-CG2 4.42Å; V587-M624 HydrophobicContact CG2-CE 3.99Å; V587-M624 HydrophobicContact CG2-SD 3.98Å; V587-V642 HydrophobicContact CG2-CB 4.01Å; V587-V642 HydrophobicContact CG2-CG1 4.02Å; V587-V642 HydrophobicContact CG2-CG2 4.37Å; V587-H643 PolarHBondContact N-O 2.88Å; V587-L644 HydrophobicContact CB-CD2 3.95Å; V587-L644 HydrophobicContact CG1-CD2 3.93Å; V587-L644 CarbonylContact O-C 3.53Å; V587-L644 WeakPolarHBondContact O-CA 3.28Å; V587-H645 PolarHBondContact O-N 2.96Å |
| 588 | V | 96.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 116.8 | 169.3 | -175.2 | 0 | 0 | 0 | 0 | 108.5 | A570 Q571 H645 E647 L648 F649 | A570-V588 PolarHBondContact N-O 2.91Å; Q571-V588 HydrophobicContact CB-CB 4.05Å; Q571-V588 HydrophobicContact CB-CG2 4.25Å; Q571-V588 PolarHBondContact N-O 3.1Å; Q571-V588 VanDerWaalsContact N-O 3.09Å; Q571-V588 PolarHBondContact O-N 3.27Å; V588-H645 WeakPolarHBondContact CA-O 3.4Å; V588-H645 WeakPolarHBondContact CG1-O 3.39Å; V588-H645 HydrophobicContact CG2-CB 4.36Å; V588-E647 WeakPolarHBondContact CG1-O 3.31Å; V588-E647 WeakPolarHBondContact CG2-O 3.22Å; V588-L648 HydrophobicContact CG1-CD2 3.82Å; V588-L648 HydrophobicContact CG1-CG 4.37Å; V588-F649 HydrophobicContact CG2-CD1 4.05Å; V588-F649 HydrophobicContact CG2-CD2 4.47Å; V588-F649 HydrophobicContact CG2-CE1 3.6Å; V588-F649 HydrophobicContact CG2-CE2 4.08Å; V588-F649 HydrophobicContact CG2-CG 4.46Å; V588-F649 HydrophobicContact CG2-CZ 3.62Å |
| 589 | P | 94.2 | Very high | 89 | Confident | 4 Ų | 4 | 41.3 Ų | 41.3 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 155.5 | 178.3 | -17.9 | 32.5 | 0 | 0 | 0 | 113.1 | P568 A591 L594 I607 H645 | P568-P589 CarbonylContact O-C 3.46Å; P568-P589 WeakPolarHBondContact O-CA 3.46Å; P568-P589 WeakPolarHBondContact O-CB 3.35Å; P589-A591 PolarHBondContact O-N 3.21Å; P589-L594 HydrophobicContact CB-CB 4.04Å; P589-L594 HydrophobicContact CB-CD1 4.04Å; P589-L594 HydrophobicContact CB-CD2 3.64Å; P589-L594 HydrophobicContact CB-CG 4.09Å; P589-L594 HydrophobicContact CG-CD2 3.93Å; P589-I607 HydrophobicContact CB-CD1 4.24Å; P589-H645 WeakPolarHBondContact CD-O 3.21Å |
| 590 | D | 89.6 | Confident | 89.8 | Confident | 51 Ų | 51 | 38.7 Ų | 38.7 | 27% | 0.273 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -76 | 119.3 | 171.1 | -172.7 | -55 | 0 | 0 | 0 | 110.1 | P568 A570 D592 V593 L594 | P568-D590 PolarHBondContact O-N 2.75Å; A570-D590 HydrophobicContact CB-CB 3.97Å; D590-D592 VanDerWaalsContact C-N 3.26Å; D590-D592 PolarHBondContact O-N 3.12Å; D590-D592 WeakPolarHBondContact OD1-CA 3.39Å; D590-D592 WeakPolarHBondContact OD1-CB 3.32Å; D590-D592 PolarHBondContact OD1-N 3.17Å; D590-V593 HydrophobicContact CB-CB 4.04Å; D590-V593 HydrophobicContact CB-CG2 4.16Å; D590-V593 PolarHBondContact O-N 2.85Å; D590-V593 PolarHBondContact OD1-N 2.8Å; D590-V593 VanDerWaalsContact OD1-N 3.17Å; D590-L594 VanDerWaalsContact O-CB 3.25Å; D590-L594 WeakPolarHBondContact O-CB 3.38Å; D590-L594 PolarHBondContact O-N 3.06Å |
| 591 | A | 87.3 | Confident | 90.2 | Very high | 66 Ų | 66 | 40.7 Ų | 40.7 | 55% | 0.545 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -26.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | P589 P595 | P589-A591 PolarHBondContact O-N 3.21Å; A591-P595 VanDerWaalsContact O-CD 3.31Å; A591-P595 WeakPolarHBondContact O-CD 3.34Å |
| 592 | D | 84.7 | Confident | 90.7 | Very high | 152 Ų | 152 | 41 Ų | 41 | 81% | 0.813 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -26.9 | 178 | -66 | -36.8 | 0 | 0 | 0 | 111.2 | D590 | D590-D592 VanDerWaalsContact C-N 3.26Å; D590-D592 PolarHBondContact O-N 3.12Å; D590-D592 WeakPolarHBondContact OD1-CA 3.39Å; D590-D592 WeakPolarHBondContact OD1-CB 3.32Å; D590-D592 PolarHBondContact OD1-N 3.17Å |
| 593 | V | 87.9 | Confident | 90.8 | Very high | 49 Ų | 49 | 42.4 Ų | 42.4 | 30% | 0.297 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -38.5 | -173.7 | -175.9 | 0 | 0 | 0 | 0 | 113.4 | S567 D590 G596 F597 | S567-V593 WeakPolarHBondContact O-CG1 3.33Å; S567-V593 WeakPolarHBondContact OG-CG1 3.43Å; D590-V593 HydrophobicContact CB-CB 4.04Å; D590-V593 HydrophobicContact CB-CG2 4.16Å; D590-V593 PolarHBondContact O-N 2.85Å; D590-V593 PolarHBondContact OD1-N 2.8Å; D590-V593 VanDerWaalsContact OD1-N 3.17Å; V593-G596 PolarHBondContact O-N 3.33Å; V593-G596 VanDerWaalsContact O-N 3.12Å; V593-F597 PolarHBondContact O-N 2.82Å |
| 594 | L | 89.8 | Confident | 90.6 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -56.4 | -43.4 | -173.7 | -173.1 | 72 | 0 | 0 | 0 | 113.3 | P568 P589 D590 G596 F597 A598 I607 L610 V616 I620 | P568-L594 HydrophobicContact CB-CD1 3.91Å; P589-L594 HydrophobicContact CB-CB 4.04Å; P589-L594 HydrophobicContact CB-CD1 4.04Å; P589-L594 HydrophobicContact CB-CD2 3.64Å; P589-L594 HydrophobicContact CB-CG 4.09Å; P589-L594 HydrophobicContact CG-CD2 3.93Å; D590-L594 VanDerWaalsContact O-CB 3.25Å; D590-L594 WeakPolarHBondContact O-CB 3.38Å; D590-L594 PolarHBondContact O-N 3.06Å; L594-G596 VanDerWaalsContact C-N 3.28Å; L594-G596 PolarHBondContact O-N 3.15Å; L594-F597 HydrophobicContact CD1-CD1 4.26Å; L594-F597 WeakPolarHBondContact O-CB 3.44Å; L594-F597 PolarHBondContact O-N 3.32Å; L594-F597 VanDerWaalsContact O-N 3.15Å; L594-A598 WeakPolarHBondContact O-CB 3.38Å; L594-A598 PolarHBondContact O-N 3.18Å; L594-I607 HydrophobicContact CB-CD1 4.14Å; L594-I607 HydrophobicContact CD2-CD1 3.49Å; L594-I607 VanDerWaalsContact CD2-CD1 3.49Å; L594-I607 HydrophobicContact CG-CD1 4.41Å; L594-L610 HydrophobicContact CD2-CB 3.69Å; L594-L610 HydrophobicContact CD2-CD1 4Å; L594-L610 HydrophobicContact CG-CD1 4.12Å; L594-V616 HydrophobicContact CD1-CG1 3.96Å; L594-I620 HydrophobicContact CD1-CD1 3.94Å |
| 595 | P | 87.7 | Confident | 90.2 | Very high | 59 Ų | 59 | 51.4 Ų | 51.4 | 38% | 0.383 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.3 | -38.1 | 179.2 | -25.1 | 35.7 | 0 | 0 | 0 | 112.8 | A591 K599 | A591-P595 VanDerWaalsContact O-CD 3.31Å; A591-P595 WeakPolarHBondContact O-CD 3.34Å; P595-K599 WeakPolarHBondContact O-CB 3.45Å; P595-K599 PolarHBondContact O-N 3.14Å |
| 596 | G | 86.6 | Confident | 89.8 | Confident | 51 Ų | 51 | 53.8 Ų | 53.8 | 53% | 0.526 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67.8 | -41.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V593 L594 K599 S600 | V593-G596 PolarHBondContact O-N 3.33Å; V593-G596 VanDerWaalsContact O-N 3.12Å; L594-G596 VanDerWaalsContact C-N 3.28Å; L594-G596 PolarHBondContact O-N 3.15Å; G596-K599 PolarHBondContact O-N 2.92Å; G596-S600 PolarHBondContact O-N 3.36Å |
| 597 | F | 87.5 | Confident | 89.3 | Confident | 34 Ų | 34 | 55.3 Ų | 55.3 | 15% | 0.149 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.4 | -49.6 | 174.7 | -179.7 | -96.9 | 0 | 0 | 0 | 111.8 | P568 V593 L594 K599 S600 L601 A619 I620 D623 | P568-F597 HydrophobicContact CB-CB 4.29Å; P568-F597 HydrophobicContact CB-CD1 4.08Å; P568-F597 HydrophobicContact CB-CD2 4.39Å; P568-F597 HydrophobicContact CB-CG 4Å; P568-F597 HydrophobicContact CG-CD1 4.22Å; P568-F597 HydrophobicContact CG-CD2 4.14Å; P568-F597 HydrophobicContact CG-CE1 4.22Å; P568-F597 HydrophobicContact CG-CE2 4.13Å; P568-F597 HydrophobicContact CG-CG 4.18Å; P568-F597 HydrophobicContact CG-CZ 4.17Å; V593-F597 PolarHBondContact O-N 2.82Å; L594-F597 HydrophobicContact CD1-CD1 4.26Å; L594-F597 WeakPolarHBondContact O-CB 3.44Å; L594-F597 PolarHBondContact O-N 3.32Å; L594-F597 VanDerWaalsContact O-N 3.15Å; F597-K599 VanDerWaalsContact C-N 3.32Å; F597-K599 PolarHBondContact O-N 2.84Å; F597-S600 WeakPolarHBondContact O-CB 3.33Å; F597-S600 PolarHBondContact O-N 3.48Å; F597-S600 VanDerWaalsContact O-N 3.1Å; F597-S600 PolarHBondContact O-OG 3.46Å; F597-L601 HydrophobicContact CD1-CD1 4.33Å; F597-L601 HydrophobicContact CE1-CD1 3.89Å; F597-L601 HydrophobicContact CZ-CD1 4.45Å; F597-A619 HydrophobicContact CE1-CB 3.86Å; F597-A619 HydrophobicContact CZ-CB 3.82Å; F597-I620 HydrophobicContact CE1-CG1 3.95Å; F597-I620 HydrophobicContact CZ-CG1 4.48Å; F597-D623 WeakPolarHBondContact CE2-OD2 3.16Å |
| 598 | A | 89.1 | Confident | 89 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.5 | -39 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L594 S600 L601 G602 I603 L610 V616 | L594-A598 WeakPolarHBondContact O-CB 3.38Å; L594-A598 PolarHBondContact O-N 3.18Å; A598-S600 PolarHBondContact O-N 3.17Å; A598-L601 CarbonylContact O-C 3.06Å; A598-L601 WeakPolarHBondContact O-CA 3.43Å; A598-L601 WeakPolarHBondContact O-CB 3.29Å; A598-L601 PolarHBondContact O-N 3.49Å; A598-G602 PolarHBondContact O-N 3.41Å; A598-I603 CarbonylContact C-O 3.5Å; A598-I603 HydrophobicContact CB-CB 4.39Å; A598-I603 PolarHBondContact O-N 3.27Å; A598-I603 VanDerWaalsContact O-O 3.1Å; A598-L610 HydrophobicContact CB-CD1 3.86Å; A598-L610 HydrophobicContact CB-CD2 3.61Å; A598-L610 HydrophobicContact CB-CG 4.34Å; A598-V616 HydrophobicContact CB-CG2 4.22Å |
| 599 | K | 88.6 | Confident | 88.7 | Confident | 141 Ų | 141 | 65.7 Ų | 65.7 | 61% | 0.613 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -60.5 | -34.7 | 175.6 | -172.6 | 178.7 | -177.9 | 178.6 | 0 | 112.3 | P595 G596 F597 L601 G602 I603 | P595-K599 WeakPolarHBondContact O-CB 3.45Å; P595-K599 PolarHBondContact O-N 3.14Å; G596-K599 PolarHBondContact O-N 2.92Å; F597-K599 VanDerWaalsContact C-N 3.32Å; F597-K599 PolarHBondContact O-N 2.84Å; K599-L601 PolarHBondContact O-N 2.77Å; K599-G602 PolarHBondContact O-N 2.83Å; K599-I603 WeakPolarHBondContact CA-O 3.3Å; K599-I603 PolarHBondContact N-O 3.29Å |
| 600 | S | 87.6 | Confident | 88.6 | Confident | 92 Ų | 92 | 65.6 Ų | 65.6 | 64% | 0.643 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -65 | -21.2 | 175 | 81 | 0 | 0 | 0 | 0 | 113.3 | G596 F597 A598 | G596-S600 PolarHBondContact O-N 3.36Å; F597-S600 WeakPolarHBondContact O-CB 3.33Å; F597-S600 PolarHBondContact O-N 3.48Å; F597-S600 VanDerWaalsContact O-N 3.1Å; F597-S600 PolarHBondContact O-OG 3.46Å; A598-S600 PolarHBondContact O-N 3.17Å |
| 601 | L | 87.3 | Confident | 88.8 | Confident | 78 Ų | 78 | 63.9 Ų | 63.9 | 41% | 0.408 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 2.8 | 174.1 | -55.4 | 172.4 | 0 | 0 | 0 | 112.8 | F597 A598 K599 I603 A619 | F597-L601 HydrophobicContact CD1-CD1 4.33Å; F597-L601 HydrophobicContact CE1-CD1 3.89Å; F597-L601 HydrophobicContact CZ-CD1 4.45Å; A598-L601 CarbonylContact O-C 3.06Å; A598-L601 WeakPolarHBondContact O-CA 3.43Å; A598-L601 WeakPolarHBondContact O-CB 3.29Å; A598-L601 PolarHBondContact O-N 3.49Å; K599-L601 PolarHBondContact O-N 2.77Å; L601-I603 HydrophobicContact CB-CD1 4.31Å; L601-I603 HydrophobicContact CB-CG1 4.45Å; L601-A619 HydrophobicContact CD1-CB 3.51Å; L601-A619 HydrophobicContact CD2-CB 4.38Å |
| 602 | G | 89.8 | Confident | 89.1 | Confident | 70 Ų | 70 | 69 Ų | 69 | 72% | 0.722 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | 13.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | A598 K599 | A598-G602 PolarHBondContact O-N 3.41Å; K599-G602 PolarHBondContact O-N 2.83Å |
| 603 | I | 89.9 | Confident | 89.5 | Confident | 41 Ų | 41 | 62.7 Ų | 62.7 | 21% | 0.21 | 36% | 0.36 | C | S | . | . | trans | -110.2 | 137.5 | -175.6 | -55.2 | 170.9 | 0 | 0 | 0 | 109.4 | A598 K599 L601 L610 E615 V616 | A598-I603 CarbonylContact C-O 3.5Å; A598-I603 HydrophobicContact CB-CB 4.39Å; A598-I603 PolarHBondContact O-N 3.27Å; A598-I603 VanDerWaalsContact O-O 3.1Å; K599-I603 WeakPolarHBondContact CA-O 3.3Å; K599-I603 PolarHBondContact N-O 3.29Å; L601-I603 HydrophobicContact CB-CD1 4.31Å; L601-I603 HydrophobicContact CB-CG1 4.45Å; I603-L610 HydrophobicContact CG2-CD2 3.69Å; I603-E615 HydrophobicContact CD1-CB 3.55Å; I603-E615 HydrophobicContact CD1-CG 4.28Å; I603-V616 HydrophobicContact CD1-CG2 3.88Å; I603-V616 HydrophobicContact CG2-CG2 4.32Å | ||
| 604 | Q | 88.8 | Confident | 89.7 | Confident | 158 Ų | 158 | 64 Ų | 64 | 74% | 0.738 | 37% | 0.369 | S | S | * | . | trans | -134 | 148.9 | 175.9 | -63.3 | -176.8 | 18.8 | 0 | 0 | 109.4 | ||||
| 605 | G | 87.6 | Confident | 89.9 | Confident | 32 Ų | 32 | 69.6 Ų | 69.6 | 33% | 0.33 | 40% | 0.395 | S | S | . | . | trans | 166.9 | 175.6 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | E609 | G605-E609 WeakPolarHBondContact CA-OE2 3.26Š| ||
| 606 | S | 89.3 | Confident | 90.2 | Very high | 50 Ų | 50 | 66.8 Ų | 66.8 | 35% | 0.35 | 38% | 0.376 | S | S | . | . | trans | -67.1 | 166.1 | 168.8 | 87.6 | 0 | 0 | 0 | 0 | 111.2 | E608 E609 L610 | S606-E608 VanDerWaalsContact CB-OE2 3.31Å; S606-E608 WeakPolarHBondContact CB-OE2 3.36Å; S606-E608 PolarHBondContact O-N 2.86Å; S606-E608 PolarHBondContact OG-N 3.46Å; S606-E608 PolarHBondContact OG-OE2 3.49Å; S606-E609 PolarHBondContact N-OE2 3.29Å; S606-E609 PolarHBondContact O-N 2.57Å; S606-E609 VanDerWaalsContact O-N 3.14Å; S606-E609 PolarHBondContact OG-N 2.93Å; S606-L610 WeakPolarHBondContact O-CB 3.05Å; S606-L610 VanDerWaalsContact O-CG 3.28Å; S606-L610 WeakPolarHBondContact O-CG 3.48Å; S606-L610 PolarHBondContact O-N 2.79Å | ||
| 607 | I | 87.6 | Confident | 90.6 | Very high | 33 Ų | 33 | 66.5 Ų | 66.5 | 17% | 0.169 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57.1 | -39 | 177.7 | -170.5 | 74.7 | 0 | 0 | 0 | 111.5 | P589 L594 L610 C611 P646 | P589-I607 HydrophobicContact CB-CD1 4.24Å; L594-I607 HydrophobicContact CB-CD1 4.14Å; L594-I607 HydrophobicContact CD2-CD1 3.49Å; L594-I607 VanDerWaalsContact CD2-CD1 3.49Å; L594-I607 HydrophobicContact CG-CD1 4.41Å; I607-L610 PolarHBondContact O-N 3.42Å; I607-C611 WeakPolarHBondContact O-CB 3.48Å; I607-C611 PolarHBondContact O-N 2.98Å; I607-C611 PolarHBondContact O-SG 2.9Å; I607-P646 HydrophobicContact CG1-CB 4.26Å; I607-P646 HydrophobicContact CG2-CB 4.26Å |
| 608 | E | 91.6 | Very high | 90.9 | Very high | 98 Ų | 98 | 71.3 Ų | 71.3 | 46% | 0.458 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -68.3 | -36.1 | 178.9 | -56.9 | 78.4 | -170.2 | 0 | 0 | 112.4 | S606 K612 P646 | S606-E608 VanDerWaalsContact CB-OE2 3.31Å; S606-E608 WeakPolarHBondContact CB-OE2 3.36Å; S606-E608 PolarHBondContact O-N 2.86Å; S606-E608 PolarHBondContact OG-N 3.46Å; S606-E608 PolarHBondContact OG-OE2 3.49Å; E608-K612 WeakPolarHBondContact O-CG 3.43Å; E608-P646 HydrophobicContact CG-CB 4.16Å; E608-P646 HydrophobicContact CG-CG 4.29Å |
| 609 | E | 91.3 | Very high | 91.2 | Very high | 120 Ų | 120 | 72.2 Ų | 72.2 | 56% | 0.561 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -71.5 | -44.5 | 176 | -67.3 | 173.4 | 154 | 0 | 0 | 110.9 | G605 S606 C611 K612 S613 | G605-E609 WeakPolarHBondContact CA-OE2 3.26Å; S606-E609 PolarHBondContact N-OE2 3.29Å; S606-E609 PolarHBondContact O-N 2.57Å; S606-E609 VanDerWaalsContact O-N 3.14Å; S606-E609 PolarHBondContact OG-N 2.93Å; E609-C611 VanDerWaalsContact C-N 3.32Å; E609-C611 PolarHBondContact O-N 2.78Å; E609-K612 WeakPolarHBondContact O-CB 3.37Å; E609-K612 PolarHBondContact O-N 2.76Å; E609-S613 PolarHBondContact O-N 2.69Å |
| 610 | L | 91.8 | Very high | 91.5 | Very high | 2 Ų | 2 | 65.5 Ų | 65.5 | 1% | 0.01 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.2 | -36.3 | 178.5 | -66.6 | 178.5 | 0 | 0 | 0 | 112 | L594 A598 I603 S606 I607 K612 S613 V616 | L594-L610 HydrophobicContact CD2-CB 3.69Å; L594-L610 HydrophobicContact CD2-CD1 4Å; L594-L610 HydrophobicContact CG-CD1 4.12Å; A598-L610 HydrophobicContact CB-CD1 3.86Å; A598-L610 HydrophobicContact CB-CD2 3.61Å; A598-L610 HydrophobicContact CB-CG 4.34Å; I603-L610 HydrophobicContact CG2-CD2 3.69Å; S606-L610 WeakPolarHBondContact O-CB 3.05Å; S606-L610 VanDerWaalsContact O-CG 3.28Å; S606-L610 WeakPolarHBondContact O-CG 3.48Å; S606-L610 PolarHBondContact O-N 2.79Å; I607-L610 PolarHBondContact O-N 3.42Å; L610-K612 PolarHBondContact O-N 3.01Å; L610-S613 PolarHBondContact O-N 3.47Å; L610-S613 VanDerWaalsContact O-N 3.14Å; L610-V616 HydrophobicContact CD2-CG2 4.38Å |
| 611 | C | 93.4 | Very high | 91.9 | Very high | 16 Ų | 16 | 62.2 Ų | 62.2 | 11% | 0.108 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -21.3 | 174.1 | -71.7 | 0 | 0 | 0 | 0 | 113.4 | I607 E609 L644 | I607-C611 WeakPolarHBondContact O-CB 3.48Å; I607-C611 PolarHBondContact O-N 2.98Å; I607-C611 PolarHBondContact O-SG 2.9Å; E609-C611 VanDerWaalsContact C-N 3.32Å; E609-C611 PolarHBondContact O-N 2.78Å; C611-L644 HydrophobicContact CB-CB 3.81Å |
| 612 | K | 92.7 | Very high | 92.3 | Very high | 174 Ų | 174 | 62.8 Ų | 62.8 | 76% | 0.757 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -10.5 | 177.1 | -65.8 | 170.2 | -174.5 | 173.6 | 0 | 113.2 | E608 E609 L610 | E608-K612 WeakPolarHBondContact O-CG 3.43Å; E609-K612 WeakPolarHBondContact O-CB 3.37Å; E609-K612 PolarHBondContact O-N 2.76Å; L610-K612 PolarHBondContact O-N 3.01Å |
| 613 | S | 93.8 | Very high | 92.4 | Very high | 18 Ų | 18 | 62.4 Ų | 62.4 | 13% | 0.126 | 32% | 0.323 | C | S | . | . | trans | -76 | 126.9 | -179.3 | 167.1 | 0 | 0 | 0 | 0 | 111.7 | E609 L610 E615 V616 K617 | E609-S613 PolarHBondContact O-N 2.69Å; L610-S613 PolarHBondContact O-N 3.47Å; L610-S613 VanDerWaalsContact O-N 3.14Å; S613-E615 VanDerWaalsContact C-N 3.32Å; S613-E615 PolarHBondContact OG-N 2.83Å; S613-E615 PolarHBondContact OG-OE2 3.43Å; S613-V616 PolarHBondContact OG-N 2.86Å; S613-K617 WeakPolarHBondContact O-CB 3.47Å; S613-K617 PolarHBondContact O-N 3.38Å; S613-K617 VanDerWaalsContact O-N 3.07Å | ||
| 614 | T | 92.4 | Very high | 92.7 | Very high | 78 Ų | 78 | 60.4 Ų | 60.4 | 48% | 0.479 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.6 | -34.3 | 176.5 | -54.4 | 0 | 0 | 0 | 0 | 111.3 | K618 | T614-K618 HydrophobicContact CG2-CD 4.31Å; T614-K618 WeakPolarHBondContact O-CB 3.25Å; T614-K618 VanDerWaalsContact O-CG 3.31Å; T614-K618 WeakPolarHBondContact O-CG 3.48Å; T614-K618 PolarHBondContact O-N 3.23Å |
| 615 | E | 93.3 | Very high | 93 | Very high | 117 Ų | 117 | 54.3 Ų | 54.3 | 55% | 0.547 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -67.1 | -46.7 | 178.2 | -62.1 | 74.7 | -163.5 | 0 | 0 | 111.2 | I603 S613 K618 A619 | I603-E615 HydrophobicContact CD1-CB 3.55Å; I603-E615 HydrophobicContact CD1-CG 4.28Å; S613-E615 VanDerWaalsContact C-N 3.32Å; S613-E615 PolarHBondContact OG-N 2.83Å; S613-E615 PolarHBondContact OG-OE2 3.43Å; E615-K618 PolarHBondContact O-N 3.48Å; E615-A619 WeakPolarHBondContact O-CB 3.47Å; E615-A619 PolarHBondContact O-N 3.43Å |
| 616 | V | 93.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.7 | -47 | 175.7 | 174.8 | 0 | 0 | 0 | 0 | 110.2 | L594 A598 I603 L610 S613 K618 A619 I620 L644 | L594-V616 HydrophobicContact CD1-CG1 3.96Å; A598-V616 HydrophobicContact CB-CG2 4.22Å; I603-V616 HydrophobicContact CD1-CG2 3.88Å; I603-V616 HydrophobicContact CG2-CG2 4.32Å; L610-V616 HydrophobicContact CD2-CG2 4.38Å; S613-V616 PolarHBondContact OG-N 2.86Å; V616-K618 PolarHBondContact O-N 2.91Å; V616-A619 PolarHBondContact O-N 3.22Å; V616-I620 HydrophobicContact CG1-CD1 3.9Å; V616-I620 HydrophobicContact CG1-CG1 4.5Å; V616-I620 WeakPolarHBondContact O-CG1 3.43Å; V616-I620 PolarHBondContact O-N 2.64Å; V616-L644 HydrophobicContact CG1-CD1 4.13Å |
| 617 | K | 95.4 | Very high | 93.1 | Very high | 45 Ų | 45 | 57.7 Ų | 57.7 | 20% | 0.196 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -54.6 | -49.7 | 174.8 | 173 | 177.8 | 161.8 | 168.1 | 0 | 111.9 | S613 A619 I620 I621 D641 V642 L644 | S613-K617 WeakPolarHBondContact O-CB 3.47Å; S613-K617 PolarHBondContact O-N 3.38Å; S613-K617 VanDerWaalsContact O-N 3.07Å; K617-A619 PolarHBondContact O-N 2.95Å; K617-I620 PolarHBondContact O-N 3.27Å; K617-I621 HydrophobicContact CG-CD1 3.91Å; K617-I621 VanDerWaalsContact O-CG1 3.31Å; K617-I621 WeakPolarHBondContact O-CG1 3.31Å; K617-I621 PolarHBondContact O-N 2.99Å; K617-D641 WeakPolarHBondContact CE-OD1 3.32Å; K617-D641 IonicContact NZ-OD1 2.99Å; K617-D641 PolarHBondContact NZ-OD1 2.77Å; K617-D641 IonicContact NZ-OD2 3.02Å; K617-D641 PolarHBondContact NZ-OD2 3.49Å; K617-V642 WeakPolarHBondContact CD-O 3.32Å; K617-V642 WeakPolarHBondContact CE-O 3.36Å; K617-V642 HydrophobicContact CG-CG2 4.08Å; K617-V642 PolarHBondContact NZ-O 3.04Å; K617-L644 HydrophobicContact CB-CD1 4.06Å; K617-L644 HydrophobicContact CB-CG 4.38Å |
| 618 | K | 94.8 | Very high | 93 | Very high | 134 Ų | 134 | 56.1 Ų | 56.1 | 58% | 0.583 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -62.6 | -40.2 | 179.1 | -78.6 | 176.4 | 179.1 | 176.8 | 0 | 112.8 | T614 E615 V616 I621 T622 | T614-K618 HydrophobicContact CG2-CD 4.31Å; T614-K618 WeakPolarHBondContact O-CB 3.25Å; T614-K618 VanDerWaalsContact O-CG 3.31Å; T614-K618 WeakPolarHBondContact O-CG 3.48Å; T614-K618 PolarHBondContact O-N 3.23Å; E615-K618 PolarHBondContact O-N 3.48Å; V616-K618 PolarHBondContact O-N 2.91Å; K618-I621 PolarHBondContact O-N 3.08Å; K618-T622 WeakPolarHBondContact O-CB 3.28Å; K618-T622 PolarHBondContact O-N 2.78Å; K618-T622 PolarHBondContact O-OG1 3.39Å |
| 619 | A | 94.3 | Very high | 92.7 | Very high | 19 Ų | 19 | 60.1 Ų | 60.1 | 16% | 0.157 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.2 | -44.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | F597 L601 E615 V616 K617 T622 D623 | F597-A619 HydrophobicContact CE1-CB 3.86Å; F597-A619 HydrophobicContact CZ-CB 3.82Å; L601-A619 HydrophobicContact CD1-CB 3.51Å; L601-A619 HydrophobicContact CD2-CB 4.38Å; E615-A619 WeakPolarHBondContact O-CB 3.47Å; E615-A619 PolarHBondContact O-N 3.43Å; V616-A619 PolarHBondContact O-N 3.22Å; K617-A619 PolarHBondContact O-N 2.95Å; A619-T622 WeakPolarHBondContact O-CB 3.49Å; A619-T622 PolarHBondContact O-N 3.19Å; A619-D623 PolarHBondContact O-N 3.34Å |
| 620 | I | 95.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.5 | -46.6 | 175.9 | -68.1 | 173.8 | 0 | 0 | 0 | 111.2 | P568 V569 V587 L594 F597 V616 K617 T622 D623 M624 L644 | P568-I620 HydrophobicContact CB-CD1 4.36Å; P568-I620 HydrophobicContact CB-CG1 4.28Å; P568-I620 HydrophobicContact CG-CD1 4.41Å; P568-I620 HydrophobicContact CG-CG1 3.84Å; V569-I620 HydrophobicContact CG2-CG2 3.89Å; V587-I620 HydrophobicContact CG1-CG2 4.42Å; L594-I620 HydrophobicContact CD1-CD1 3.94Å; F597-I620 HydrophobicContact CE1-CG1 3.95Å; F597-I620 HydrophobicContact CZ-CG1 4.48Å; V616-I620 HydrophobicContact CG1-CD1 3.9Å; V616-I620 HydrophobicContact CG1-CG1 4.5Å; V616-I620 WeakPolarHBondContact O-CG1 3.43Å; V616-I620 PolarHBondContact O-N 2.64Å; K617-I620 PolarHBondContact O-N 3.27Å; I620-T622 VanDerWaalsContact C-N 3.27Å; I620-T622 PolarHBondContact O-N 3.38Å; I620-D623 PolarHBondContact O-N 3.25Å; I620-M624 HydrophobicContact CG2-CG 4.29Å; I620-M624 HydrophobicContact CG2-SD 3.69Å; I620-M624 WeakPolarHBondContact O-CB 3.41Å; I620-M624 VanDerWaalsContact O-CG 3.32Å; I620-M624 WeakPolarHBondContact O-CG 3.39Å; I620-M624 PolarHBondContact O-N 3.46Å; I620-L644 HydrophobicContact CD1-CD1 4Å; I620-L644 HydrophobicContact CD1-CD2 3.89Å |
| 621 | I | 96 | Very high | 91.2 | Very high | 24 Ų | 24 | 62.7 Ų | 62.7 | 12% | 0.123 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.2 | -40.8 | 176.6 | -67.5 | 167.4 | 0 | 0 | 0 | 110.9 | K617 K618 M624 T625 D641 V642 | K617-I621 HydrophobicContact CG-CD1 3.91Å; K617-I621 VanDerWaalsContact O-CG1 3.31Å; K617-I621 WeakPolarHBondContact O-CG1 3.31Å; K617-I621 PolarHBondContact O-N 2.99Å; K618-I621 PolarHBondContact O-N 3.08Å; I621-M624 PolarHBondContact O-N 3.4Å; I621-T625 VanDerWaalsContact O-CB 3.29Å; I621-T625 WeakPolarHBondContact O-CB 3.36Å; I621-T625 PolarHBondContact O-N 3.25Å; I621-T625 PolarHBondContact O-OG1 3.25Å; I621-D641 WeakPolarHBondContact CD1-OD1 3.3Å; I621-V642 HydrophobicContact CD1-CG2 3.95Å; I621-V642 HydrophobicContact CG1-CB 4.42Å; I621-V642 HydrophobicContact CG1-CG1 4.06Å; I621-V642 HydrophobicContact CG1-CG2 3.64Å |
| 622 | T | 95.4 | Very high | 90.2 | Very high | 89 Ų | 89 | 64.4 Ų | 64.4 | 55% | 0.546 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63 | -47.3 | 179.7 | -59.4 | 0 | 0 | 0 | 0 | 111.1 | K618 A619 I620 T625 K626 | K618-T622 WeakPolarHBondContact O-CB 3.28Å; K618-T622 PolarHBondContact O-N 2.78Å; K618-T622 PolarHBondContact O-OG1 3.39Å; A619-T622 WeakPolarHBondContact O-CB 3.49Å; A619-T622 PolarHBondContact O-N 3.19Å; I620-T622 VanDerWaalsContact C-N 3.27Å; I620-T622 PolarHBondContact O-N 3.38Å; T622-T625 PolarHBondContact O-N 2.62Å; T622-K626 WeakPolarHBondContact O-CB 3.47Å; T622-K626 PolarHBondContact O-N 3.3Å |
| 623 | D | 92.8 | Very high | 89.5 | Confident | 62 Ų | 62 | 56.7 Ų | 56.7 | 33% | 0.332 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.3 | -42.2 | 177.8 | -83.1 | -2.9 | 0 | 0 | 0 | 112.1 | F597 A619 I620 T625 K626 L627 | F597-D623 WeakPolarHBondContact CE2-OD2 3.16Å; A619-D623 PolarHBondContact O-N 3.34Å; I620-D623 PolarHBondContact O-N 3.25Å; D623-T625 PolarHBondContact O-N 3.1Å; D623-K626 PolarHBondContact O-N 3.38Å; D623-L627 WeakPolarHBondContact O-CB 3.21Å; D623-L627 WeakPolarHBondContact O-CG 3.23Å; D623-L627 PolarHBondContact O-N 3.47Å |
| 624 | M | 95.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59 | -46.6 | 173.3 | -75.8 | 171.9 | 65.3 | 0 | 0 | 111.4 | Y563 C566 V569 V572 V587 I620 I621 K626 L627 G628 V639 V642 | Y563-M624 HydrophobicContact CD1-CB 3.86Å; Y563-M624 HydrophobicContact CD1-CE 4.07Å; Y563-M624 HydrophobicContact CD1-CG 4.22Å; Y563-M624 HydrophobicContact CD2-CE 3.36Å; Y563-M624 HydrophobicContact CE1-CB 4.03Å; Y563-M624 HydrophobicContact CE1-CE 4.5Å; Y563-M624 VanDerWaalsContact CE1-O 3.26Å; Y563-M624 WeakPolarHBondContact CE1-O 3.31Å; Y563-M624 HydrophobicContact CE2-CE 3.84Å; Y563-M624 HydrophobicContact CG-CB 4.4Å; Y563-M624 HydrophobicContact CG-CE 3.48Å; Y563-M624 VanDerWaalsContact CG-CE 3.48Å; Y563-M624 HydrophobicContact CG-CG 4.37Å; C566-M624 HydrophobicContact CB-CG 3.99Å; V569-M624 HydrophobicContact CG2-CG 4.46Å; V569-M624 HydrophobicContact CG2-SD 4.29Å; V572-M624 HydrophobicContact CG2-CE 4.46Å; V587-M624 HydrophobicContact CG2-CE 3.99Å; V587-M624 HydrophobicContact CG2-SD 3.98Å; I620-M624 HydrophobicContact CG2-CG 4.29Å; I620-M624 HydrophobicContact CG2-SD 3.69Å; I620-M624 WeakPolarHBondContact O-CB 3.41Å; I620-M624 VanDerWaalsContact O-CG 3.32Å; I620-M624 WeakPolarHBondContact O-CG 3.39Å; I620-M624 PolarHBondContact O-N 3.46Å; I621-M624 PolarHBondContact O-N 3.4Å; M624-K626 VanDerWaalsContact C-N 3.35Å; M624-K626 PolarHBondContact O-N 3.19Å; M624-L627 PolarHBondContact O-N 3.01Å; M624-G628 PolarHBondContact O-N 3.02Å; M624-V639 HydrophobicContact CE-CG2 3.78Å; M624-V642 HydrophobicContact CE-CG1 4.26Å |
| 625 | T | 94.6 | Very high | 88.3 | Confident | 30 Ų | 30 | 62.5 Ų | 62.5 | 18% | 0.184 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.7 | -43.2 | -179.9 | -60.2 | 0 | 0 | 0 | 0 | 111.2 | I621 T622 D623 G628 R629 Q638 | I621-T625 VanDerWaalsContact O-CB 3.29Å; I621-T625 WeakPolarHBondContact O-CB 3.36Å; I621-T625 PolarHBondContact O-N 3.25Å; I621-T625 PolarHBondContact O-OG1 3.25Å; T622-T625 PolarHBondContact O-N 2.62Å; D623-T625 PolarHBondContact O-N 3.1Å; T625-G628 PolarHBondContact O-N 3.3Å; T625-R629 WeakPolarHBondContact O-CG 3.19Å; T625-R629 PolarHBondContact O-N 2.93Å; T625-Q638 PolarHBondContact O-NE2 3.35Å |
| 626 | K | 92.1 | Very high | 87.6 | Confident | 121 Ų | 121 | 58.9 Ų | 58.9 | 53% | 0.526 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.5 | -52 | 175.9 | -180 | -176.6 | 171.8 | -173.2 | 0 | 110.9 | T622 D623 M624 G628 R629 E630 | T622-K626 WeakPolarHBondContact O-CB 3.47Å; T622-K626 PolarHBondContact O-N 3.3Å; D623-K626 PolarHBondContact O-N 3.38Å; M624-K626 VanDerWaalsContact C-N 3.35Å; M624-K626 PolarHBondContact O-N 3.19Å; K626-G628 VanDerWaalsContact C-N 3.29Å; K626-G628 PolarHBondContact O-N 3.27Å; K626-R629 PolarHBondContact O-N 3.17Å; K626-R629 VanDerWaalsContact O-N 3.16Å; K626-E630 WeakPolarHBondContact CE-OE1 3.23Å; K626-E630 WeakPolarHBondContact O-CG 3.33Å; K626-E630 PolarHBondContact O-N 3.33Å |
| 627 | L | 87.2 | Confident | 87.2 | Confident | 32 Ų | 32 | 59.4 Ų | 59.4 | 17% | 0.168 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.5 | -40 | 176.9 | -78.2 | 170.1 | 0 | 0 | 0 | 112.3 | C566 D623 M624 R629 E630 A631 | C566-L627 VanDerWaalsContact CA-CD1 3.44Å; C566-L627 HydrophobicContact CB-CD1 3.74Å; D623-L627 WeakPolarHBondContact O-CB 3.21Å; D623-L627 WeakPolarHBondContact O-CG 3.23Å; D623-L627 PolarHBondContact O-N 3.47Å; M624-L627 PolarHBondContact O-N 3.01Å; L627-R629 PolarHBondContact O-N 3Å; L627-E630 PolarHBondContact O-N 3.39Å; L627-A631 VanDerWaalsContact O-CB 3.26Å; L627-A631 WeakPolarHBondContact O-CB 3.39Å; L627-A631 PolarHBondContact O-N 2.91Å |
| 628 | G | 85.2 | Confident | 87 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.6 | -46.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | M624 T625 K626 A631 G632 L633 Q638 | M624-G628 PolarHBondContact O-N 3.02Å; T625-G628 PolarHBondContact O-N 3.3Å; K626-G628 VanDerWaalsContact C-N 3.29Å; K626-G628 PolarHBondContact O-N 3.27Å; G628-A631 CarbonylContact O-C 3.48Å; G628-A631 PolarHBondContact O-N 3.41Å; G628-G632 PolarHBondContact O-N 2.78Å; G628-L633 VanDerWaalsContact O-CB 3.29Å; G628-L633 WeakPolarHBondContact O-CB 3.28Å; G628-L633 PolarHBondContact O-N 2.8Å; G628-Q638 VanDerWaalsContact C-NE2 3.29Å |
| 629 | R | 86.4 | Confident | 87.1 | Confident | 182 Ų | 182 | 51.7 Ų | 51.7 | 69% | 0.687 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -65.7 | -44.3 | 178.5 | -70 | 178.3 | -172.8 | 178.9 | 2.5 | 111.7 | T625 K626 L627 A631 G632 Q638 | T625-R629 WeakPolarHBondContact O-CG 3.19Å; T625-R629 PolarHBondContact O-N 2.93Å; K626-R629 PolarHBondContact O-N 3.17Å; K626-R629 VanDerWaalsContact O-N 3.16Å; L627-R629 PolarHBondContact O-N 3Å; R629-A631 PolarHBondContact O-N 3.39Å; R629-G632 PolarHBondContact O-N 2.76Å; R629-Q638 VanDerWaalsContact N-NE2 3.17Å |
| 630 | E | 81.8 | Confident | 87.1 | Confident | 130 Ų | 130 | 56.7 Ų | 56.7 | 61% | 0.607 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -62.4 | -32.7 | 177 | -70.7 | 173.8 | -176.9 | 0 | 0 | 112.2 | K626 L627 G632 | K626-E630 WeakPolarHBondContact CE-OE1 3.23Å; K626-E630 WeakPolarHBondContact O-CG 3.33Å; K626-E630 PolarHBondContact O-N 3.33Å; L627-E630 PolarHBondContact O-N 3.39Å; E630-G632 VanDerWaalsContact C-N 3.29Å |
| 631 | A | 70 | Confident | 87.1 | Confident | 45 Ų | 45 | 57.8 Ų | 57.8 | 37% | 0.372 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -0.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114 | V562 L627 G628 R629 | V562-A631 HydrophobicContact CB-CB 4.37Å; V562-A631 HydrophobicContact CG1-CB 3.55Å; V562-A631 HydrophobicContact CG2-CB 3.82Å; L627-A631 VanDerWaalsContact O-CB 3.26Å; L627-A631 WeakPolarHBondContact O-CB 3.39Å; L627-A631 PolarHBondContact O-N 2.91Å; G628-A631 CarbonylContact O-C 3.48Å; G628-A631 PolarHBondContact O-N 3.41Å; R629-A631 PolarHBondContact O-N 3.39Å |
| 632 | G | 71.1 | Confident | 87.2 | Confident | 53 Ų | 53 | 56.6 Ų | 56.6 | 55% | 0.546 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 21.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | G628 R629 E630 K634 | G628-G632 PolarHBondContact O-N 2.78Å; R629-G632 PolarHBondContact O-N 2.76Å; E630-G632 VanDerWaalsContact C-N 3.29Å; G632-K634 PolarHBondContact O-N 3.42Å |
| 633 | L | 78.1 | Confident | 87.3 | Confident | 12 Ų | 12 | 55.2 Ų | 55.2 | 6% | 0.063 | 28% | 0.283 | C | S | . | . | trans | -66 | 130.9 | 170.5 | -62.9 | -173.8 | 0 | 0 | 0 | 110.3 | I559 V562 Y563 G628 E637 | I559-L633 HydrophobicContact CG1-CD1 4.46Å; I559-L633 HydrophobicContact CG1-CD2 4.3Å; I559-L633 HydrophobicContact CG2-CD1 4.06Å; V562-L633 HydrophobicContact CB-CD1 4.2Å; V562-L633 HydrophobicContact CG1-CD1 4.08Å; V562-L633 HydrophobicContact CG1-CG 4.47Å; V562-L633 HydrophobicContact CG2-CD1 4.48Å; V562-L633 HydrophobicContact CG2-CD2 4.3Å; V562-L633 HydrophobicContact CG2-CG 4.44Å; Y563-L633 HydrophobicContact CE1-CD1 4.01Å; G628-L633 VanDerWaalsContact O-CB 3.29Å; G628-L633 WeakPolarHBondContact O-CB 3.28Å; G628-L633 PolarHBondContact O-N 2.8Å; L633-E637 WeakPolarHBondContact CA-OE2 3.44Å; L633-E637 HydrophobicContact CB-CB 4.1Å; L633-E637 HydrophobicContact CD2-CB 4.41Å | ||
| 634 | K | 77.3 | Confident | 87.5 | Confident | 119 Ų | 119 | 52.5 Ų | 52.5 | 52% | 0.517 | 27% | 0.268 | S | S | . | . | trans | -67.6 | 162.4 | 176.8 | -62.8 | 176.3 | 179 | 178.6 | 0 | 110.7 | G632 F636 E637 Q638 | G632-K634 PolarHBondContact O-N 3.42Å; K634-F636 HydrophobicContact CB-CD1 4.02Å; K634-F636 HydrophobicContact CB-CD2 4.49Å; K634-F636 HydrophobicContact CB-CE1 3.82Å; K634-F636 HydrophobicContact CB-CE2 4.31Å; K634-F636 HydrophobicContact CB-CG 4.4Å; K634-F636 HydrophobicContact CB-CZ 4Å; K634-F636 HydrophobicContact CD-CD1 4.41Å; K634-F636 HydrophobicContact CD-CE1 3.41Å; K634-F636 VanDerWaalsContact CD-CE1 3.41Å; K634-F636 HydrophobicContact CD-CE2 4.02Å; K634-F636 HydrophobicContact CD-CZ 3.19Å; K634-F636 HydrophobicContact CG-CE1 4.26Å; K634-F636 HydrophobicContact CG-CZ 4.25Å; K634-F636 PolarHBondContact O-N 3.49Å; K634-E637 HydrophobicContact CB-CG 4.17Å; K634-E637 PolarHBondContact N-OE2 3.2Å; K634-E637 WeakPolarHBondContact O-CB 3.35Å; K634-E637 PolarHBondContact O-N 3.14Å; K634-Q638 WeakPolarHBondContact O-CG 3.35Å; K634-Q638 PolarHBondContact O-N 3.37Å | ||
| 635 | S | 83.5 | Confident | 87.5 | Confident | 98 Ų | 98 | 54.1 Ų | 54.1 | 69% | 0.685 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -56.2 | -35.4 | -179 | 52.6 | 0 | 0 | 0 | 0 | 113.8 | ||
| 636 | F | 79.4 | Confident | 87.4 | Confident | 42 Ų | 42 | 55 Ų | 55 | 18% | 0.184 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -81.5 | -14.7 | 177.2 | 60.9 | -107.1 | 0 | 0 | 0 | 113.9 | E552 I554 L583 K634 Q638 | E552-F636 HydrophobicContact CB-CD2 4.09Å; E552-F636 HydrophobicContact CB-CE2 4.01Å; E552-F636 HydrophobicContact CB-CG 4.43Å; E552-F636 HydrophobicContact CB-CZ 4.26Å; E552-F636 HydrophobicContact CG-CD1 4.08Å; E552-F636 HydrophobicContact CG-CD2 4.28Å; E552-F636 HydrophobicContact CG-CE1 3.96Å; E552-F636 HydrophobicContact CG-CE2 4.19Å; E552-F636 HydrophobicContact CG-CG 4.19Å; E552-F636 HydrophobicContact CG-CZ 3.99Å; E552-F636 VanDerWaalsContact OE2-CZ 3.22Å; E552-F636 WeakPolarHBondContact OE2-CZ 3.46Å; I554-F636 HydrophobicContact CD1-CD2 3.57Å; I554-F636 HydrophobicContact CD1-CE2 3.93Å; L583-F636 WeakPolarHBondContact CD1-O 3.48Å; K634-F636 HydrophobicContact CB-CD1 4.02Å; K634-F636 HydrophobicContact CB-CD2 4.49Å; K634-F636 HydrophobicContact CB-CE1 3.82Å; K634-F636 HydrophobicContact CB-CE2 4.31Å; K634-F636 HydrophobicContact CB-CG 4.4Å; K634-F636 HydrophobicContact CB-CZ 4Å; K634-F636 HydrophobicContact CD-CD1 4.41Å; K634-F636 HydrophobicContact CD-CE1 3.41Å; K634-F636 VanDerWaalsContact CD-CE1 3.41Å; K634-F636 HydrophobicContact CD-CE2 4.02Å; K634-F636 HydrophobicContact CD-CZ 3.19Å; K634-F636 HydrophobicContact CG-CE1 4.26Å; K634-F636 HydrophobicContact CG-CZ 4.25Å; K634-F636 PolarHBondContact O-N 3.49Å; F636-Q638 VanDerWaalsContact C-N 3.27Å |
| 637 | E | 84.8 | Confident | 87.5 | Confident | 11 Ų | 11 | 54.5 Ų | 54.5 | 5% | 0.051 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -85.6 | -2.9 | 172.3 | -64 | -178.9 | 124 | 0 | 0 | 111.7 | I554 K558 I559 L633 K634 | I554-E637 HydrophobicContact CD1-CG 4.34Å; K558-E637 VanDerWaalsContact NZ-CD 3.34Å; K558-E637 IonicContact NZ-OE1 3.41Å; K558-E637 PolarHBondContact NZ-OE1 2.71Å; K558-E637 IonicContact NZ-OE2 3.23Å; K558-E637 PolarHBondContact NZ-OE2 3.23Å; I559-E637 HydrophobicContact CD1-CB 3.88Å; I559-E637 HydrophobicContact CD1-CG 4.33Å; I559-E637 WeakPolarHBondContact CD1-O 3.36Å; I559-E637 HydrophobicContact CG1-CB 4.17Å; L633-E637 WeakPolarHBondContact CA-OE2 3.44Å; L633-E637 HydrophobicContact CB-CB 4.1Å; L633-E637 HydrophobicContact CD2-CB 4.41Å; K634-E637 HydrophobicContact CB-CG 4.17Å; K634-E637 PolarHBondContact N-OE2 3.2Å; K634-E637 WeakPolarHBondContact O-CB 3.35Å; K634-E637 PolarHBondContact O-N 3.14Å |
| 638 | Q | 92.3 | Very high | 87.7 | Confident | 14 Ų | 14 | 56.7 Ų | 56.7 | 7% | 0.065 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -88.5 | 124.5 | 179.4 | -63.8 | -80 | 8.9 | 0 | 0 | 110.7 | Y563 T625 G628 R629 K634 F636 K640 | Y563-Q638 VanDerWaalsContact OH-CA 3.31Å; Y563-Q638 WeakPolarHBondContact OH-CA 3.46Å; Y563-Q638 PolarHBondContact OH-OE1 3.18Å; T625-Q638 PolarHBondContact O-NE2 3.35Å; G628-Q638 VanDerWaalsContact C-NE2 3.29Å; R629-Q638 VanDerWaalsContact N-NE2 3.17Å; K634-Q638 WeakPolarHBondContact O-CG 3.35Å; K634-Q638 PolarHBondContact O-N 3.37Å; F636-Q638 VanDerWaalsContact C-N 3.27Å; Q638-K640 PolarHBondContact O-N 3.35Å |
| 639 | V | 95.6 | Very high | 88 | Confident | 3 Ų | 3 | 56.9 Ų | 56.9 | 2% | 0.018 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 130.4 | 173 | -68.9 | 0 | 0 | 0 | 0 | 110.3 | Y563 V574 L583 A585 M624 V642 | Y563-V639 HydrophobicContact CD2-CG2 4.29Å; Y563-V639 HydrophobicContact CE2-CB 4.17Å; Y563-V639 HydrophobicContact CE2-CG1 3.8Å; Y563-V639 HydrophobicContact CE2-CG2 3.45Å; Y563-V639 VanDerWaalsContact CE2-CG2 3.45Å; Y563-V639 PolarHBondContact OH-N 3.39Å; Y563-V639 VanDerWaalsContact OH-N 3.08Å; V574-V639 HydrophobicContact CG1-CG1 4.21Å; V574-V639 HydrophobicContact CG2-CG1 4.16Å; L583-V639 HydrophobicContact CB-CB 4.48Å; L583-V639 HydrophobicContact CB-CG1 3.81Å; L583-V639 CarbonylContact O-C 3.52Å; L583-V639 WeakPolarHBondContact O-CA 3.3Å; A585-V639 HydrophobicContact CB-CB 4.47Å; A585-V639 HydrophobicContact CB-CG1 3.88Å; M624-V639 HydrophobicContact CE-CG2 3.78Å; V639-V642 HydrophobicContact CG2-CG1 4.08Å |
| 640 | K | 94.4 | Very high | 87.9 | Confident | 124 Ų | 124 | 50.1 Ų | 50.1 | 54% | 0.539 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | -35.3 | -178.6 | -70.8 | -61.7 | -174.1 | 171.7 | 0 | 112.2 | L583 Q638 I682 | L583-K640 PolarHBondContact O-N 2.84Å; Q638-K640 PolarHBondContact O-N 3.35Å; K640-I682 HydrophobicContact CB-CD1 3.74Å; K640-I682 HydrophobicContact CB-CG1 4.18Å; K640-I682 HydrophobicContact CB-CG2 4.46Å |
| 641 | D | 95.9 | Very high | 87.2 | Confident | 22 Ų | 22 | 45.4 Ų | 45.4 | 12% | 0.118 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 158.9 | 177 | -157.8 | 17.3 | 0 | 0 | 0 | 112.3 | V584 A585 K617 I621 L678 I682 | V584-D641 WeakPolarHBondContact CA-O 3.33Å; A585-D641 PolarHBondContact N-O 3.29Å; A585-D641 VanDerWaalsContact N-O 3.14Å; K617-D641 WeakPolarHBondContact CE-OD1 3.32Å; K617-D641 IonicContact NZ-OD1 2.99Å; K617-D641 PolarHBondContact NZ-OD1 2.77Å; K617-D641 IonicContact NZ-OD2 3.02Å; K617-D641 PolarHBondContact NZ-OD2 3.49Å; I621-D641 WeakPolarHBondContact CD1-OD1 3.3Å; D641-L678 HydrophobicContact CB-CD2 4.02Å; D641-L678 VanDerWaalsContact OD2-CD2 3.23Å; D641-L678 WeakPolarHBondContact OD2-CD2 3.45Å; D641-I682 HydrophobicContact CB-CD1 3.84Å; D641-I682 HydrophobicContact CB-CG1 4.02Å |
| 642 | V | 97 | Very high | 87.3 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 151.7 | -179.3 | -50 | 0 | 0 | 0 | 0 | 113.4 | A585 V587 K617 I621 M624 V639 L644 L678 | A585-V642 HydrophobicContact CB-CG1 4.14Å; A585-V642 CarbonylContact O-C 2.93Å; A585-V642 WeakPolarHBondContact O-CA 3.38Å; A585-V642 WeakPolarHBondContact O-CB 3.45Å; V587-V642 HydrophobicContact CG2-CB 4.01Å; V587-V642 HydrophobicContact CG2-CG1 4.02Å; V587-V642 HydrophobicContact CG2-CG2 4.37Å; K617-V642 WeakPolarHBondContact CD-O 3.32Å; K617-V642 WeakPolarHBondContact CE-O 3.36Å; K617-V642 HydrophobicContact CG-CG2 4.08Å; K617-V642 PolarHBondContact NZ-O 3.04Å; I621-V642 HydrophobicContact CD1-CG2 3.95Å; I621-V642 HydrophobicContact CG1-CB 4.42Å; I621-V642 HydrophobicContact CG1-CG1 4.06Å; I621-V642 HydrophobicContact CG1-CG2 3.64Å; M624-V642 HydrophobicContact CE-CG1 4.26Å; V639-V642 HydrophobicContact CG2-CG1 4.08Å; V642-L644 HydrophobicContact CG2-CD2 4.09Å; V642-L678 WeakPolarHBondContact O-CD2 3.47Å |
| 643 | H | 97.4 | Very high | 87.9 | Confident | 59 Ų | 59 | 51.2 Ų | 51.2 | 27% | 0.273 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 126.1 | 164.2 | 176.9 | 72.7 | 0 | 0 | 0 | 109.4 | A585 I586 V587 Q674 L678 | A585-H643 PolarHBondContact O-N 3.38Å; I586-H643 HydrophobicContact CD1-CB 3.76Å; V587-H643 PolarHBondContact N-O 2.88Å; H643-Q674 HydrophobicContact CB-CB 4.36Å; H643-L678 HydrophobicContact CB-CD1 4.02Å |
| 644 | L | 97.2 | Very high | 87.8 | Confident | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.026 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 121.3 | 174.4 | -57.5 | -176.4 | 0 | 0 | 0 | 109.6 | V587 C611 V616 K617 I620 V642 | V587-L644 HydrophobicContact CB-CD2 3.95Å; V587-L644 HydrophobicContact CG1-CD2 3.93Å; V587-L644 CarbonylContact O-C 3.53Å; V587-L644 WeakPolarHBondContact O-CA 3.28Å; C611-L644 HydrophobicContact CB-CB 3.81Å; V616-L644 HydrophobicContact CG1-CD1 4.13Å; K617-L644 HydrophobicContact CB-CD1 4.06Å; K617-L644 HydrophobicContact CB-CG 4.38Å; I620-L644 HydrophobicContact CD1-CD1 4Å; I620-L644 HydrophobicContact CD1-CD2 3.89Å; V642-L644 HydrophobicContact CG2-CD2 4.09Å |
| 645 | H | 96.4 | Very high | 88.1 | Confident | 34 Ų | 34 | 46.7 Ų | 46.7 | 16% | 0.157 | 25% | 0.246 | C | C | . | . | trans | -113.5 | 127.4 | -179 | -173.9 | 62.6 | 0 | 0 | 0 | 110.2 | I586 V587 V588 P589 E647 F671 | I586-H645 HydrophobicContact CG2-CB 3.88Å; V587-H645 PolarHBondContact O-N 2.96Å; V588-H645 WeakPolarHBondContact CA-O 3.4Å; V588-H645 WeakPolarHBondContact CG1-O 3.39Å; V588-H645 HydrophobicContact CG2-CB 4.36Å; P589-H645 WeakPolarHBondContact CD-O 3.21Å; H645-E647 PolarHBondContact CD2-O 2.93Å; H645-F671 HydrophobicContact CB-CE1 4.42Å; H645-F671 AromaticContact CD2-CZ 3.62Å; H645-F671 AromaticContact CE1-CE1 3.84Å; H645-F671 AromaticContact CE1-CZ 3.94Å; H645-F671 AromaticContact CG-CE1 3.82Å; H645-F671 AromaticContact CG-CZ 3.83Å; H645-F671 AromaticContact ND1-CE1 3.67Å; H645-F671 AromaticContact NE2-CZ 3.69Å | ||
| 646 | P | 93.3 | Very high | 87.6 | Confident | 50 Ų | 50 | 42.3 Ų | 42.3 | 33% | 0.325 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -78.7 | -19.6 | -172.7 | 29.8 | -35.7 | 0 | 0 | 0 | 114.3 | I607 E608 | I607-P646 HydrophobicContact CG1-CB 4.26Å; I607-P646 HydrophobicContact CG2-CB 4.26Å; E608-P646 HydrophobicContact CG-CB 4.16Å; E608-P646 HydrophobicContact CG-CG 4.29Å |
| 647 | E | 92.7 | Very high | 86.9 | Confident | 109 Ų | 109 | 41.3 Ų | 41.3 | 51% | 0.509 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -95.4 | 138.6 | -176.7 | -162.2 | -173.2 | 145.1 | 0 | 0 | 111.5 | V588 H645 N653 | V588-E647 WeakPolarHBondContact CG1-O 3.31Å; V588-E647 WeakPolarHBondContact CG2-O 3.22Å; H645-E647 PolarHBondContact CD2-O 2.93Å; E647-N653 PolarHBondContact OE1-ND2 3.39Å |
| 648 | L | 92 | Very high | 85.1 | Confident | 79 Ų | 79 | 41.6 Ų | 41.6 | 41% | 0.414 | 22% | 0.215 | S | C | . | . | P | Polyproline II helix | trans | -68 | 142.4 | 174.9 | -70.8 | 167.4 | 0 | 0 | 0 | 111.2 | A570 Q571 V588 T650 N653 | A570-L648 HydrophobicContact CB-CD2 4.08Å; Q571-L648 HydrophobicContact CG-CD2 4.32Å; V588-L648 HydrophobicContact CG1-CD2 3.82Å; V588-L648 HydrophobicContact CG1-CG 4.37Å; L648-T650 HydrophobicContact CB-CG2 4.03Å; L648-T650 PolarHBondContact O-N 3.36Å; L648-N653 PolarHBondContact O-ND2 3.39Å |
| 649 | F | 92.2 | Very high | 83.3 | Confident | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.018 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -69.1 | 121.1 | 161.6 | -47.3 | -31.2 | 0 | 0 | 0 | 107.2 | Q571 F573 I586 V588 L655 L656 L667 F671 | Q571-F649 HydrophobicContact CB-CD2 4.06Å; Q571-F649 HydrophobicContact CB-CE2 4.27Å; Q571-F649 PolarHBondContact NE2-O 3.02Å; Q571-F649 PolarHBondContact OE1-O 2.88Å; F573-F649 HydrophobicContact CB-CE2 3.92Å; F573-F649 HydrophobicContact CB-CZ 4.26Å; I586-F649 HydrophobicContact CB-CZ 4.4Å; I586-F649 HydrophobicContact CG2-CE1 4.49Å; I586-F649 HydrophobicContact CG2-CZ 4Å; V588-F649 HydrophobicContact CG2-CD1 4.05Å; V588-F649 HydrophobicContact CG2-CD2 4.47Å; V588-F649 HydrophobicContact CG2-CE1 3.6Å; V588-F649 HydrophobicContact CG2-CE2 4.08Å; V588-F649 HydrophobicContact CG2-CG 4.46Å; V588-F649 HydrophobicContact CG2-CZ 3.62Å; F649-L655 HydrophobicContact CB-CB 3.96Å; F649-L655 HydrophobicContact CB-CD1 4.47Å; F649-L655 HydrophobicContact CD1-CD1 3.73Å; F649-L655 HydrophobicContact CE1-CD1 4.48Å; F649-L655 HydrophobicContact CG-CB 4.47Å; F649-L655 HydrophobicContact CG-CD1 4.44Å; F649-L656 HydrophobicContact CB-CD2 3.85Å; F649-L656 HydrophobicContact CB-CG 3.93Å; F649-L656 WeakPolarHBondContact O-CD1 3.47Å; F649-L656 WeakPolarHBondContact O-CG 3.2Å; F649-L667 HydrophobicContact CD1-CD2 3.79Å; F649-L667 HydrophobicContact CD2-CD1 4.48Å; F649-L667 HydrophobicContact CD2-CD2 4.07Å; F649-L667 HydrophobicContact CE1-CD2 3.75Å; F649-L667 HydrophobicContact CE2-CD2 4.02Å; F649-L667 HydrophobicContact CG-CD2 3.96Å; F649-L667 HydrophobicContact CZ-CD2 3.86Å; F649-F671 HydrophobicContact CD1-CE2 4.42Å; F649-F671 AromaticContact CE1-CE2 3.56Å; F649-F671 HydrophobicContact CE1-CE2 3.56Å; F649-F671 AromaticContact CE1-CZ 3.81Å; F649-F671 HydrophobicContact CE1-CZ 3.81Å; F649-F671 HydrophobicContact CZ-CE2 4.07Å |
| 650 | T | 83.4 | Confident | 81.6 | Confident | 39 Ų | 39 | 46.3 Ų | 46.3 | 24% | 0.239 | 24% | 0.242 | C | C | . | . | trans | -125.6 | 170.7 | -177.5 | 65.9 | 0 | 0 | 0 | 0 | 110 | L648 E652 N653 L655 L656 | L648-T650 HydrophobicContact CB-CG2 4.03Å; L648-T650 PolarHBondContact O-N 3.36Å; T650-E652 VanDerWaalsContact C-N 3.34Å; T650-E652 VanDerWaalsContact CB-OE2 3.3Å; T650-E652 WeakPolarHBondContact CB-OE2 3.37Å; T650-N653 WeakPolarHBondContact CA-OD1 3.32Å; T650-N653 PolarHBondContact N-OD1 3.47Å; T650-N653 PolarHBondContact O-OD1 3.38Å; T650-N653 PolarHBondContact OG1-N 2.87Å; T650-N653 PolarHBondContact OG1-ND2 2.99Å; T650-N653 PolarHBondContact OG1-OD1 2.93Å; T650-L655 PolarHBondContact O-N 3.49Å; T650-L656 PolarHBondContact O-N 3.3Å | ||
| 651 | I | 68.1 | Low | 80.3 | Confident | 31 Ų | 31 | 44.1 Ų | 44.1 | 16% | 0.159 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -39.1 | 172 | -71 | -172 | 0 | 0 | 0 | 109 | T166 G654 L656 T657 L660 | T166-I651 HydrophobicContact CG2-CD1 4.22Å; T166-I651 HydrophobicContact CG2-CG2 3.28Å; I651-G654 WeakPolarHBondContact O-CA 3.03Å; I651-G654 PolarHBondContact O-N 3.42Å; I651-L656 HydrophobicContact CG1-CB 4.08Å; I651-T657 WeakPolarHBondContact CG1-O 3.47Å; I651-L660 HydrophobicContact CD1-CD2 3.54Å; I651-L660 HydrophobicContact CG1-CD2 3.81Å |
| 652 | E | 71.8 | Confident | 79.4 | Confident | 167 Ų | 167 | 44.7 Ų | 44.7 | 78% | 0.78 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -39.2 | -176 | -64.9 | 77.9 | -175.2 | 0 | 0 | 112.3 | T650 G654 | T650-E652 VanDerWaalsContact C-N 3.34Å; T650-E652 VanDerWaalsContact CB-OE2 3.3Å; T650-E652 WeakPolarHBondContact CB-OE2 3.37Å; E652-G654 PolarHBondContact O-N 2.9Å |
| 653 | N | 82.8 | Confident | 78.4 | Confident | 53 Ų | 53 | 46.8 Ų | 46.8 | 28% | 0.283 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 9 | 171.9 | 67.4 | 17.5 | 0 | 0 | 0 | 113.5 | E647 L648 T650 L655 | E647-N653 PolarHBondContact OE1-ND2 3.39Å; L648-N653 PolarHBondContact O-ND2 3.39Å; T650-N653 WeakPolarHBondContact CA-OD1 3.32Å; T650-N653 PolarHBondContact N-OD1 3.47Å; T650-N653 PolarHBondContact O-OD1 3.38Å; T650-N653 PolarHBondContact OG1-N 2.87Å; T650-N653 PolarHBondContact OG1-ND2 2.99Å; T650-N653 PolarHBondContact OG1-OD1 2.93Å; N653-L655 PolarHBondContact O-N 2.98Å; N653-L655 WeakPolarHBondContact OD1-CB 3.47Å; N653-L655 WeakPolarHBondContact OD1-CG 3.28Å; N653-L655 PolarHBondContact OD1-N 3.48Å |
| 654 | G | 77.4 | Confident | 77.9 | Confident | 26 Ų | 26 | 46 Ų | 46 | 27% | 0.268 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | -1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | I651 E652 K663 | I651-G654 WeakPolarHBondContact O-CA 3.03Å; I651-G654 PolarHBondContact O-N 3.42Å; E652-G654 PolarHBondContact O-N 2.9Å; G654-K663 VanDerWaalsContact O-CD 3.23Å; G654-K663 WeakPolarHBondContact O-CD 3.3Å; G654-K663 WeakPolarHBondContact O-CE 3.32Å; G654-K663 PolarHBondContact O-NZ 3.14Å |
| 655 | L | 83.4 | Confident | 76.9 | Confident | 11 Ų | 11 | 48.6 Ų | 48.6 | 6% | 0.058 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -85.2 | -16.5 | -173.7 | -60 | 179.5 | 0 | 0 | 0 | 114.3 | F649 T650 N653 K663 L667 L670 | F649-L655 HydrophobicContact CB-CB 3.96Å; F649-L655 HydrophobicContact CB-CD1 4.47Å; F649-L655 HydrophobicContact CD1-CD1 3.73Å; F649-L655 HydrophobicContact CE1-CD1 4.48Å; F649-L655 HydrophobicContact CG-CB 4.47Å; F649-L655 HydrophobicContact CG-CD1 4.44Å; T650-L655 PolarHBondContact O-N 3.49Å; N653-L655 PolarHBondContact O-N 2.98Å; N653-L655 WeakPolarHBondContact OD1-CB 3.47Å; N653-L655 WeakPolarHBondContact OD1-CG 3.28Å; N653-L655 PolarHBondContact OD1-N 3.48Å; L655-K663 WeakPolarHBondContact O-CB 3.34Å; L655-K663 PolarHBondContact O-N 3.1Å; L655-L667 HydrophobicContact CB-CD2 4.06Å; L655-L667 HydrophobicContact CB-CG 4.41Å; L655-L667 HydrophobicContact CD1-CD2 4.08Å; L655-L667 HydrophobicContact CD2-CD2 4.02Å; L655-L667 HydrophobicContact CD2-CG 4.3Å; L655-L667 HydrophobicContact CG-CD2 4.27Å; L655-L670 HydrophobicContact CD1-CD2 3.72Å; L655-L670 HydrophobicContact CD2-CD2 3.78Å; L655-L670 HydrophobicContact CG-CD2 4.34Å |
| 656 | L | 72.9 | Confident | 76.3 | Confident | 5 Ų | 5 | 50.7 Ų | 50.7 | 3% | 0.026 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -113.3 | 149.7 | 171.4 | -61.8 | -174.5 | 0 | 0 | 0 | 111.8 | F649 T650 I651 L660 K661 K663 | F649-L656 HydrophobicContact CB-CD2 3.85Å; F649-L656 HydrophobicContact CB-CG 3.93Å; F649-L656 WeakPolarHBondContact O-CD1 3.47Å; F649-L656 WeakPolarHBondContact O-CG 3.2Å; T650-L656 PolarHBondContact O-N 3.3Å; I651-L656 HydrophobicContact CG1-CB 4.08Å; L656-L660 HydrophobicContact CD1-CB 4.39Å; L656-L660 HydrophobicContact CD1-CD2 4.23Å; L656-K661 CarbonylContact C-O 3.58Å; L656-K661 VanDerWaalsContact CA-O 3.25Å; L656-K661 WeakPolarHBondContact CA-O 2.94Å; L656-K663 WeakPolarHBondContact O-CE 3.34Å |
| 657 | T | 63.6 | Low | 76.2 | Confident | 22 Ų | 22 | 48.3 Ų | 48.3 | 14% | 0.135 | 26% | 0.261 | C | S | . | . | trans | -70.2 | 160.8 | 167.1 | 70.5 | 0 | 0 | 0 | 0 | 110.7 | I651 T659 L660 K661 K663 | I651-T657 WeakPolarHBondContact CG1-O 3.47Å; T657-T659 PolarHBondContact O-N 3.37Å; T657-T659 PolarHBondContact OG1-N 3.39Å; T657-T659 PolarHBondContact OG1-OG1 3.31Å; T657-L660 WeakPolarHBondContact O-CA 3.12Å; T657-L660 PolarHBondContact O-N 2.83Å; T657-K661 HydrophobicContact CG2-CB 4.2Å; T657-K661 PolarHBondContact N-O 3Å; T657-K661 WeakPolarHBondContact OG1-CB 3.27Å; T657-K661 PolarHBondContact OG1-N 2.8Å; T657-K661 VanDerWaalsContact OG1-N 3.11Å; T657-K663 HydrophobicContact CG2-CG 3.85Å | ||
| 658 | P | 48.3 | Very low | 76 | Confident | 17 Ų | 17 | 46.9 Ų | 46.9 | 11% | 0.11 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -22.3 | -46.6 | 153.6 | -42.8 | 34.9 | 0 | 0 | 0 | 118.5 | Y164 T166 L167 L660 | Y164-P658 HydrophobicContact CD1-CB 3.81Å; Y164-P658 HydrophobicContact CD1-CG 3.6Å; Y164-P658 HydrophobicContact CD2-CB 4.48Å; Y164-P658 VanDerWaalsContact CE1-CA 3.43Å; Y164-P658 HydrophobicContact CE1-CB 3.21Å; Y164-P658 HydrophobicContact CE1-CG 3.53Å; Y164-P658 HydrophobicContact CE2-CB 3.99Å; Y164-P658 HydrophobicContact CG-CB 4.43Å; Y164-P658 HydrophobicContact CG-CG 4.21Å; Y164-P658 VanDerWaalsContact OH-C 3.3Å; Y164-P658 WeakPolarHBondContact OH-CA 3.26Å; Y164-P658 WeakPolarHBondContact OH-CB 3.44Å; Y164-P658 PolarHBondContact OH-O 2.84Å; T166-P658 WeakPolarHBondContact OG1-CA 3.34Å; T166-P658 VanDerWaalsContact OG1-CD 3.22Å; T166-P658 WeakPolarHBondContact OG1-CD 3.34Å; T166-P658 WeakPolarHBondContact OG1-CG 3.47Å; L167-P658 HydrophobicContact CD2-CG 4.11Å; L167-P658 HydrophobicContact CG-CG 4.42Å; P658-L660 VanDerWaalsContact C-N 3.32Å |
| 659 | T | 53.1 | Low | 75.8 | Confident | 47 Ų | 47 | 50.6 Ų | 50.6 | 29% | 0.288 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 18.3 | -174.1 | 62.5 | 0 | 0 | 0 | 0 | 112 | H310 T657 K661 | H310-T659 WeakPolarHBondContact CD2-CG2 3.28Å; H310-T659 WeakPolarHBondContact NE2-CG2 3.32Å; T657-T659 PolarHBondContact O-N 3.37Å; T657-T659 PolarHBondContact OG1-N 3.39Å; T657-T659 PolarHBondContact OG1-OG1 3.31Å; T659-K661 VanDerWaalsContact C-N 3.27Å; T659-K661 PolarHBondContact O-N 3.48Å |
| 660 | L | 60.8 | Low | 76 | Confident | 69 Ų | 69 | 54.8 Ų | 54.8 | 36% | 0.361 | 29% | 0.29 | S | S | . | . | S | Bend | trans | 62.8 | 27.3 | 179.7 | -49.7 | 172.7 | 0 | 0 | 0 | 114.1 | I651 L656 T657 P658 | I651-L660 HydrophobicContact CD1-CD2 3.54Å; I651-L660 HydrophobicContact CG1-CD2 3.81Å; L656-L660 HydrophobicContact CD1-CB 4.39Å; L656-L660 HydrophobicContact CD1-CD2 4.23Å; T657-L660 WeakPolarHBondContact O-CA 3.12Å; T657-L660 PolarHBondContact O-N 2.83Å; P658-L660 VanDerWaalsContact C-N 3.32Å |
| 661 | K | 67.1 | Low | 76.6 | Confident | 77 Ų | 77 | 53.1 Ų | 53.1 | 34% | 0.335 | 28% | 0.279 | S | S | . | . | trans | -90.4 | 146.1 | 173.2 | -63 | -176.1 | 179.4 | -170.8 | 0 | 110.5 | A421 L656 T657 T659 K663 | A421-K661 WeakPolarHBondContact O-CE 3.21Å; A421-K661 PolarHBondContact O-NZ 2.98Å; L656-K661 CarbonylContact C-O 3.58Å; L656-K661 VanDerWaalsContact CA-O 3.25Å; L656-K661 WeakPolarHBondContact CA-O 2.94Å; T657-K661 HydrophobicContact CG2-CB 4.2Å; T657-K661 PolarHBondContact N-O 3Å; T657-K661 WeakPolarHBondContact OG1-CB 3.27Å; T657-K661 PolarHBondContact OG1-N 2.8Å; T657-K661 VanDerWaalsContact OG1-N 3.11Å; T659-K661 VanDerWaalsContact C-N 3.27Å; T659-K661 PolarHBondContact O-N 3.48Å; K661-K663 PolarHBondContact O-N 3.23Å | ||
| 662 | A | 77.6 | Confident | 77.9 | Confident | 34 Ų | 34 | 54.5 Ų | 54.5 | 28% | 0.281 | 29% | 0.285 | S | S | . | . | B | Isolated β-bridge | trans | -62.3 | 125.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | R664 L667 | A662-R664 PolarHBondContact O-N 3.25Å; A662-L667 HydrophobicContact CB-CD1 3.61Å |
| 663 | K | 75.5 | Confident | 79.1 | Confident | 45 Ų | 45 | 50.6 Ų | 50.6 | 20% | 0.196 | 28% | 0.275 | C | S | . | . | trans | -81.5 | 90.1 | 169.8 | -72.2 | -154.1 | -157 | 156 | 0 | 109.5 | G654 L655 L656 T657 K661 A665 E666 L667 | G654-K663 VanDerWaalsContact O-CD 3.23Å; G654-K663 WeakPolarHBondContact O-CD 3.3Å; G654-K663 WeakPolarHBondContact O-CE 3.32Å; G654-K663 PolarHBondContact O-NZ 3.14Å; L655-K663 WeakPolarHBondContact O-CB 3.34Å; L655-K663 PolarHBondContact O-N 3.1Å; L656-K663 WeakPolarHBondContact O-CE 3.34Å; T657-K663 HydrophobicContact CG2-CG 3.85Å; K661-K663 PolarHBondContact O-N 3.23Å; K663-A665 PolarHBondContact O-N 3.46Å; K663-E666 HydrophobicContact CB-CB 4.15Å; K663-E666 HydrophobicContact CB-CG 4.35Å; K663-E666 WeakPolarHBondContact CB-OE2 3.21Å; K663-E666 HydrophobicContact CD-CG 4.39Å; K663-E666 WeakPolarHBondContact CD-OE1 3.46Å; K663-E666 PolarHBondContact O-N 2.79Å; K663-L667 WeakPolarHBondContact O-CB 3.23Å; K663-L667 WeakPolarHBondContact O-CG 3.21Å; K663-L667 PolarHBondContact O-N 2.87Å | ||
| 664 | R | 85.8 | Confident | 79.7 | Confident | 42 Ų | 42 | 51 Ų | 51 | 16% | 0.158 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64 | -35.4 | -165.1 | -64.1 | -167.2 | 144.2 | -71.3 | -10.9 | 114.7 | P556 E560 F573 V574 A662 K668 | P556-R664 VanDerWaalsContact CB-NH2 3.28Å; E560-R664 IonicContact OE1-CZ 3.78Å; E560-R664 IonicContact OE1-NH1 3.14Å; E560-R664 IonicContact OE1-NH2 2.55Å; E560-R664 PolarHBondContact OE1-NH2 3.24Å; E560-R664 IonicContact OE2-NH2 3.54Å; E560-R664 PolarHBondContact OE2-NH2 2.67Å; F573-R664 HydrophobicContact CE2-CB 4.01Å; F573-R664 HydrophobicContact CE2-CG 4.04Å; V574-R664 PolarHBondContact O-NH1 3.36Å; A662-R664 PolarHBondContact O-N 3.25Å; R664-K668 VanDerWaalsContact O-CB 3.27Å; R664-K668 WeakPolarHBondContact O-CB 3.28Å; R664-K668 PolarHBondContact O-N 2.81Å |
| 665 | A | 77.7 | Confident | 80.6 | Confident | 59 Ų | 59 | 49.8 Ų | 49.8 | 49% | 0.488 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -69 | -45.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | K663 K668 E669 | K663-A665 PolarHBondContact O-N 3.46Å; A665-K668 PolarHBondContact O-N 3.48Å; A665-E669 WeakPolarHBondContact O-CB 3.4Å; A665-E669 PolarHBondContact O-N 3.08Å |
| 666 | E | 83.5 | Confident | 81.1 | Confident | 79 Ų | 79 | 53.4 Ų | 53.4 | 37% | 0.369 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.5 | -40.9 | 177.8 | -63.8 | 87.9 | 149.5 | 0 | 0 | 111.5 | K663 E669 L670 | K663-E666 HydrophobicContact CB-CB 4.15Å; K663-E666 HydrophobicContact CB-CG 4.35Å; K663-E666 WeakPolarHBondContact CB-OE2 3.21Å; K663-E666 HydrophobicContact CD-CG 4.39Å; K663-E666 WeakPolarHBondContact CD-OE1 3.46Å; K663-E666 PolarHBondContact O-N 2.79Å; E666-E669 PolarHBondContact O-N 3.09Å; E666-L670 WeakPolarHBondContact O-CB 3.49Å; E666-L670 PolarHBondContact O-N 2.96Å |
| 667 | L | 89.8 | Confident | 82.1 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.2 | -42.5 | 172.4 | -77.9 | 164.1 | 0 | 0 | 0 | 112 | F573 F649 L655 A662 K663 F671 | F573-L667 HydrophobicContact CB-CD1 4.39Å; F573-L667 HydrophobicContact CD1-CB 4.09Å; F573-L667 HydrophobicContact CD2-CB 3.97Å; F573-L667 HydrophobicContact CD2-CD1 3.67Å; F573-L667 HydrophobicContact CD2-CG 4.42Å; F573-L667 HydrophobicContact CE1-CB 3.9Å; F573-L667 HydrophobicContact CE2-CB 3.74Å; F573-L667 HydrophobicContact CE2-CD1 4.06Å; F573-L667 HydrophobicContact CG-CB 4.13Å; F573-L667 HydrophobicContact CG-CD1 4.08Å; F573-L667 HydrophobicContact CZ-CB 3.72Å; F649-L667 HydrophobicContact CD1-CD2 3.79Å; F649-L667 HydrophobicContact CD2-CD1 4.48Å; F649-L667 HydrophobicContact CD2-CD2 4.07Å; F649-L667 HydrophobicContact CE1-CD2 3.75Å; F649-L667 HydrophobicContact CE2-CD2 4.02Å; F649-L667 HydrophobicContact CG-CD2 3.96Å; F649-L667 HydrophobicContact CZ-CD2 3.86Å; L655-L667 HydrophobicContact CB-CD2 4.06Å; L655-L667 HydrophobicContact CB-CG 4.41Å; L655-L667 HydrophobicContact CD1-CD2 4.08Å; L655-L667 HydrophobicContact CD2-CD2 4.02Å; L655-L667 HydrophobicContact CD2-CG 4.3Å; L655-L667 HydrophobicContact CG-CD2 4.27Å; A662-L667 HydrophobicContact CB-CD1 3.61Å; K663-L667 WeakPolarHBondContact O-CB 3.23Å; K663-L667 WeakPolarHBondContact O-CG 3.21Å; K663-L667 PolarHBondContact O-N 2.87Å; L667-F671 HydrophobicContact CD2-CD2 4.04Å; L667-F671 HydrophobicContact CD2-CE2 3.69Å; L667-F671 WeakPolarHBondContact O-CB 3.15Å; L667-F671 VanDerWaalsContact O-CD2 3.26Å; L667-F671 WeakPolarHBondContact O-CD2 3.3Å; L667-F671 PolarHBondContact O-N 2.79Å |
| 668 | K | 90 | Very high | 83.6 | Confident | 78 Ų | 78 | 58.8 Ų | 58.8 | 34% | 0.339 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.7 | -47.2 | 175.9 | -179.1 | -176.4 | 177 | -179 | 0 | 110.6 | F573 R664 A665 F671 Q672 I675 | F573-K668 HydrophobicContact CZ-CB 4.28Å; R664-K668 VanDerWaalsContact O-CB 3.27Å; R664-K668 WeakPolarHBondContact O-CB 3.28Å; R664-K668 PolarHBondContact O-N 2.81Å; A665-K668 PolarHBondContact O-N 3.48Å; K668-F671 CarbonylContact O-C 3.57Å; K668-F671 PolarHBondContact O-N 2.83Å; K668-Q672 WeakPolarHBondContact O-CA 3.45Å; K668-Q672 WeakPolarHBondContact O-CB 3.28Å; K668-Q672 PolarHBondContact O-N 3.4Å; K668-I675 HydrophobicContact CG-CD1 4.47Å |
| 669 | E | 88.3 | Confident | 85.7 | Confident | 157 Ų | 157 | 58.5 Ų | 58.5 | 73% | 0.734 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -61.3 | -48 | -180 | -175 | 177.5 | -179.7 | 0 | 0 | 111.5 | A665 E666 F671 | A665-E669 WeakPolarHBondContact O-CB 3.4Å; A665-E669 PolarHBondContact O-N 3.08Å; E666-E669 PolarHBondContact O-N 3.09Å; E669-F671 PolarHBondContact O-N 3.38Å |
| 670 | L | 94.4 | Very high | 87.4 | Confident | 92 Ų | 92 | 59.1 Ų | 59.1 | 48% | 0.482 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 178.8 | 178.6 | 63.3 | 0 | 0 | 0 | 112.4 | L655 E666 | L655-L670 HydrophobicContact CD1-CD2 3.72Å; L655-L670 HydrophobicContact CD2-CD2 3.78Å; L655-L670 HydrophobicContact CG-CD2 4.34Å; E666-L670 WeakPolarHBondContact O-CB 3.49Å; E666-L670 PolarHBondContact O-N 2.96Å |
| 671 | F | 96.8 | Very high | 88.7 | Confident | 4 Ų | 4 | 60.5 Ų | 60.5 | 2% | 0.018 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -97.8 | 11.1 | -174.4 | -66 | -66.2 | 0 | 0 | 0 | 114.1 | I586 H645 F649 L667 K668 E669 P673 Q674 I675 | I586-F671 HydrophobicContact CB-CD2 4.5Å; I586-F671 HydrophobicContact CD1-CB 3.9Å; I586-F671 HydrophobicContact CD1-CD1 4.26Å; I586-F671 HydrophobicContact CD1-CG 4.08Å; I586-F671 HydrophobicContact CG1-CB 3.85Å; I586-F671 HydrophobicContact CG1-CD1 4.31Å; I586-F671 HydrophobicContact CG1-CD2 4.01Å; I586-F671 HydrophobicContact CG1-CG 3.8Å; I586-F671 HydrophobicContact CG2-CD1 4.16Å; I586-F671 HydrophobicContact CG2-CD2 4.22Å; I586-F671 HydrophobicContact CG2-CE1 4.05Å; I586-F671 HydrophobicContact CG2-CE2 4.11Å; I586-F671 HydrophobicContact CG2-CG 4.26Å; I586-F671 HydrophobicContact CG2-CZ 4.04Å; H645-F671 HydrophobicContact CB-CE1 4.42Å; H645-F671 AromaticContact CD2-CZ 3.62Å; H645-F671 AromaticContact CE1-CE1 3.84Å; H645-F671 AromaticContact CE1-CZ 3.94Å; H645-F671 AromaticContact CG-CE1 3.82Å; H645-F671 AromaticContact CG-CZ 3.83Å; H645-F671 AromaticContact ND1-CE1 3.67Å; H645-F671 AromaticContact NE2-CZ 3.69Å; F649-F671 HydrophobicContact CD1-CE2 4.42Å; F649-F671 AromaticContact CE1-CE2 3.56Å; F649-F671 HydrophobicContact CE1-CE2 3.56Å; F649-F671 AromaticContact CE1-CZ 3.81Å; F649-F671 HydrophobicContact CE1-CZ 3.81Å; F649-F671 HydrophobicContact CZ-CE2 4.07Å; L667-F671 HydrophobicContact CD2-CD2 4.04Å; L667-F671 HydrophobicContact CD2-CE2 3.69Å; L667-F671 WeakPolarHBondContact O-CB 3.15Å; L667-F671 VanDerWaalsContact O-CD2 3.26Å; L667-F671 WeakPolarHBondContact O-CD2 3.3Å; L667-F671 PolarHBondContact O-N 2.79Å; K668-F671 CarbonylContact O-C 3.57Å; K668-F671 PolarHBondContact O-N 2.83Å; E669-F671 PolarHBondContact O-N 3.38Å; F671-P673 VanDerWaalsContact C-CD 3.45Å; F671-P673 VanDerWaalsContact C-N 3.34Å; F671-Q674 PolarHBondContact O-N 3.29Å; F671-Q674 PolarHBondContact O-OE1 3.34Å; F671-I675 HydrophobicContact CB-CD1 4.18Å; F671-I675 HydrophobicContact CB-CG1 4.4Å; F671-I675 WeakPolarHBondContact O-CB 3.38Å; F671-I675 VanDerWaalsContact O-CG1 3.3Å; F671-I675 WeakPolarHBondContact O-CG1 3.28Å; F671-I675 PolarHBondContact O-N 3.49Å |
| 672 | Q | 94.9 | Very high | 89.5 | Confident | 60 Ų | 60 | 59.3 Ų | 59.3 | 28% | 0.28 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -53.1 | -45.4 | -178.1 | -167.6 | 64.6 | 61.5 | 0 | 0 | 112.4 | K668 Q674 I675 D676 | K668-Q672 WeakPolarHBondContact O-CA 3.45Å; K668-Q672 WeakPolarHBondContact O-CB 3.28Å; K668-Q672 PolarHBondContact O-N 3.4Å; Q672-Q674 VanDerWaalsContact C-N 3.31Å; Q672-Q674 PolarHBondContact O-N 3.44Å; Q672-I675 PolarHBondContact O-N 2.9Å; Q672-D676 PolarHBondContact NE2-OD1 2.85Å; Q672-D676 WeakPolarHBondContact O-CB 3.4Å; Q672-D676 PolarHBondContact O-N 2.97Å |
| 673 | P | 97 | Very high | 88.6 | Confident | 86 Ų | 86 | 66.7 Ų | 66.7 | 56% | 0.558 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -61.6 | -37.5 | 178.5 | -22.5 | 34.3 | 0 | 0 | 0 | 113.6 | F671 K677 | F671-P673 VanDerWaalsContact C-CD 3.45Å; F671-P673 VanDerWaalsContact C-N 3.34Å; P673-K677 WeakPolarHBondContact O-CB 3.29Å; P673-K677 PolarHBondContact O-N 3.45Å; P673-K677 VanDerWaalsContact O-N 3.16Å |
| 674 | Q | 96.8 | Very high | 89.3 | Confident | 60 Ų | 60 | 67.8 Ų | 67.8 | 28% | 0.28 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -73.1 | -41.3 | 178.7 | -66.4 | 77.5 | 4 | 0 | 0 | 110.6 | I586 H643 F671 Q672 K677 L678 | I586-Q674 HydrophobicContact CD1-CB 4.23Å; H643-Q674 HydrophobicContact CB-CB 4.36Å; F671-Q674 PolarHBondContact O-N 3.29Å; F671-Q674 PolarHBondContact O-OE1 3.34Å; Q672-Q674 VanDerWaalsContact C-N 3.31Å; Q672-Q674 PolarHBondContact O-N 3.44Å; Q674-K677 PolarHBondContact O-N 3.29Å; Q674-L678 VanDerWaalsContact O-CG 3.24Å; Q674-L678 WeakPolarHBondContact O-CG 3.47Å; Q674-L678 PolarHBondContact O-N 3.42Å |
| 675 | I | 95.8 | Very high | 89.4 | Confident | 1 Ų | 1 | 69.1 Ų | 69.1 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.1 | -47.4 | 176.1 | -71 | 166.8 | 0 | 0 | 0 | 110.4 | F573 H575 V584 I586 K668 F671 Q672 K677 L678 Y679 | F573-I675 HydrophobicContact CE1-CD1 4.19Å; H575-I675 HydrophobicContact CB-CD1 4.37Å; H575-I675 WeakPolarHBondContact CD2-CG2 3.46Å; V584-I675 HydrophobicContact CG2-CG2 4.24Å; I586-I675 HydrophobicContact CD1-CG1 4.36Å; K668-I675 HydrophobicContact CG-CD1 4.47Å; F671-I675 HydrophobicContact CB-CD1 4.18Å; F671-I675 HydrophobicContact CB-CG1 4.4Å; F671-I675 WeakPolarHBondContact O-CB 3.38Å; F671-I675 VanDerWaalsContact O-CG1 3.3Å; F671-I675 WeakPolarHBondContact O-CG1 3.28Å; F671-I675 PolarHBondContact O-N 3.49Å; Q672-I675 PolarHBondContact O-N 2.9Å; I675-K677 VanDerWaalsContact C-N 3.3Å; I675-K677 PolarHBondContact O-N 3.35Å; I675-L678 PolarHBondContact O-N 2.92Å; I675-Y679 HydrophobicContact CG2-CD2 3.85Å; I675-Y679 HydrophobicContact CG2-CE2 3.59Å; I675-Y679 VanDerWaalsContact O-CD2 3.31Å; I675-Y679 WeakPolarHBondContact O-CD2 3.12Å; I675-Y679 PolarHBondContact O-N 3.02Å |
| 676 | D | 93.2 | Very high | 90.1 | Very high | 87 Ų | 87 | 69.7 Ų | 69.7 | 47% | 0.465 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.6 | -42.7 | 178.6 | -66.2 | -17.5 | 0 | 0 | 0 | 111.1 | Q672 Y679 A680 | Q672-D676 PolarHBondContact NE2-OD1 2.85Å; Q672-D676 WeakPolarHBondContact O-CB 3.4Å; Q672-D676 PolarHBondContact O-N 2.97Å; D676-Y679 PolarHBondContact O-N 3.44Å; D676-A680 WeakPolarHBondContact O-CB 3.43Å; D676-A680 PolarHBondContact O-N 3.17Å |
| 677 | K | 94.3 | Very high | 90.5 | Very high | 133 Ų | 133 | 69.1 Ų | 69.1 | 58% | 0.578 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -62.2 | -44.9 | 174.9 | -174.5 | 179.6 | 178.3 | 180 | 0 | 112.3 | P673 Q674 I675 Y679 A680 D681 | P673-K677 WeakPolarHBondContact O-CB 3.29Å; P673-K677 PolarHBondContact O-N 3.45Å; P673-K677 VanDerWaalsContact O-N 3.16Å; Q674-K677 PolarHBondContact O-N 3.29Å; I675-K677 VanDerWaalsContact C-N 3.3Å; I675-K677 PolarHBondContact O-N 3.35Å; K677-Y679 VanDerWaalsContact C-N 3.29Å; K677-Y679 PolarHBondContact O-N 2.96Å; K677-A680 PolarHBondContact O-N 3.36Å; K677-D681 WeakPolarHBondContact O-CB 3.34Å; K677-D681 VanDerWaalsContact O-CG 3.29Å; K677-D681 PolarHBondContact O-N 2.79Å |
| 678 | L | 94.9 | Very high | 90.5 | Very high | 7 Ų | 7 | 73.4 Ų | 73.4 | 4% | 0.037 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.9 | -41.5 | 178.8 | -69.3 | 169.6 | 0 | 0 | 0 | 111.1 | V584 I586 D641 V642 H643 Q674 I675 D681 I682 | V584-L678 HydrophobicContact CB-CB 3.99Å; V584-L678 HydrophobicContact CB-CD1 3.94Å; V584-L678 HydrophobicContact CG1-CB 3.7Å; V584-L678 HydrophobicContact CG2-CB 4.5Å; V584-L678 HydrophobicContact CG2-CD1 4.4Å; I586-L678 HydrophobicContact CD1-CD1 4.39Å; D641-L678 HydrophobicContact CB-CD2 4.02Å; D641-L678 VanDerWaalsContact OD2-CD2 3.23Å; D641-L678 WeakPolarHBondContact OD2-CD2 3.45Å; V642-L678 WeakPolarHBondContact O-CD2 3.47Å; H643-L678 HydrophobicContact CB-CD1 4.02Å; Q674-L678 VanDerWaalsContact O-CG 3.24Å; Q674-L678 WeakPolarHBondContact O-CG 3.47Å; Q674-L678 PolarHBondContact O-N 3.42Å; I675-L678 PolarHBondContact O-N 2.92Å; L678-D681 PolarHBondContact O-N 3.47Å; L678-I682 WeakPolarHBondContact O-CD1 3.31Å; L678-I682 WeakPolarHBondContact O-CG1 3.3Å; L678-I682 PolarHBondContact O-N 3.07Å |
| 679 | Y | 91.8 | Very high | 90.6 | Very high | 11 Ų | 11 | 73.1 Ų | 73.1 | 4% | 0.043 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -67.3 | -40.1 | 175.1 | -74.7 | -57.1 | 0 | 0 | 0 | 113.1 | H575 G576 D577 Q580 S582 V584 I675 D676 K677 D681 I682 Q683 | H575-Y679 AromaticContact CD2-CE2 3.87Å; G576-Y679 WeakPolarHBondContact CA-OH 3.49Å; D577-Y679 HydrophobicContact CB-CE2 4.47Å; D577-Y679 PolarHBondContact N-OH 3.32Å; Q580-Y679 HydrophobicContact CB-CD1 3.93Å; Q580-Y679 HydrophobicContact CB-CE1 3.49Å; Q580-Y679 VanDerWaalsContact CB-CE1 3.49Å; Q580-Y679 HydrophobicContact CG-CD1 3.58Å; Q580-Y679 HydrophobicContact CG-CD2 4.16Å; Q580-Y679 HydrophobicContact CG-CE1 3.5Å; Q580-Y679 VanDerWaalsContact CG-CE1 3.5Å; Q580-Y679 HydrophobicContact CG-CE2 4.05Å; Q580-Y679 HydrophobicContact CG-CG 3.93Å; S582-Y679 WeakPolarHBondContact O-CE1 3.37Å; V584-Y679 HydrophobicContact CG1-CD1 3.9Å; V584-Y679 HydrophobicContact CG1-CE1 3.74Å; V584-Y679 HydrophobicContact CG1-CG 4.41Å; V584-Y679 HydrophobicContact CG2-CD2 4.45Å; V584-Y679 HydrophobicContact CG2-CE1 4.13Å; V584-Y679 HydrophobicContact CG2-CE2 3.87Å; I675-Y679 HydrophobicContact CG2-CD2 3.85Å; I675-Y679 HydrophobicContact CG2-CE2 3.59Å; I675-Y679 VanDerWaalsContact O-CD2 3.31Å; I675-Y679 WeakPolarHBondContact O-CD2 3.12Å; I675-Y679 PolarHBondContact O-N 3.02Å; D676-Y679 PolarHBondContact O-N 3.44Å; K677-Y679 VanDerWaalsContact C-N 3.29Å; K677-Y679 PolarHBondContact O-N 2.96Å; Y679-D681 VanDerWaalsContact C-N 3.28Å; Y679-D681 PolarHBondContact O-N 3.17Å; Y679-I682 PolarHBondContact O-N 3.37Å; Y679-Q683 WeakPolarHBondContact O-CG 3.44Å; Y679-Q683 PolarHBondContact O-N 2.94Å; Y679-Q683 VanDerWaalsContact O-N 3.15Å |
| 680 | A | 90.5 | Very high | 90.7 | Very high | 60 Ų | 60 | 67.1 Ų | 67.1 | 50% | 0.496 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63 | -34.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D676 K677 I682 | D676-A680 WeakPolarHBondContact O-CB 3.43Å; D676-A680 PolarHBondContact O-N 3.17Å; K677-A680 PolarHBondContact O-N 3.36Å; A680-I682 VanDerWaalsContact C-N 3.3Å; A680-I682 PolarHBondContact O-N 2.68Å |
| 681 | D | 87.1 | Confident | 90.4 | Very high | 98 Ų | 98 | 65.2 Ų | 65.2 | 52% | 0.524 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -76.1 | -16.4 | 178.1 | -69 | -16.5 | 0 | 0 | 0 | 112.7 | K677 L678 Y679 | K677-D681 WeakPolarHBondContact O-CB 3.34Å; K677-D681 VanDerWaalsContact O-CG 3.29Å; K677-D681 PolarHBondContact O-N 2.79Å; L678-D681 PolarHBondContact O-N 3.47Å; Y679-D681 VanDerWaalsContact C-N 3.28Å; Y679-D681 PolarHBondContact O-N 3.17Å |
| 682 | I | 83.8 | Confident | 89.9 | Confident | 53 Ų | 53 | 70.3 Ų | 70.3 | 27% | 0.272 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -92.5 | -28 | 178.4 | -67.9 | 161.8 | 0 | 0 | 0 | 112.3 | V584 K640 D641 L678 Y679 A680 | V584-I682 HydrophobicContact CG1-CD1 3.44Å; V584-I682 VanDerWaalsContact CG1-CD1 3.44Å; K640-I682 HydrophobicContact CB-CD1 3.74Å; K640-I682 HydrophobicContact CB-CG1 4.18Å; K640-I682 HydrophobicContact CB-CG2 4.46Å; D641-I682 HydrophobicContact CB-CD1 3.84Å; D641-I682 HydrophobicContact CB-CG1 4.02Å; L678-I682 WeakPolarHBondContact O-CD1 3.31Å; L678-I682 WeakPolarHBondContact O-CG1 3.3Å; L678-I682 PolarHBondContact O-N 3.07Å; Y679-I682 PolarHBondContact O-N 3.37Å; A680-I682 VanDerWaalsContact C-N 3.3Å; A680-I682 PolarHBondContact O-N 2.68Å |
| 683 | Q | 59 | Low | 89.5 | Confident | 188 Ų | 188 | 71.3 Ų | 71.3 | 88% | 0.879 | 38% | 0.376 | S | S | * | . | trans | -74.9 | 0 | 174.9 | -72 | -177.9 | 1.9 | 0 | 0 | 110.9 | Y679 | Y679-Q683 WeakPolarHBondContact O-CG 3.44Å; Y679-Q683 PolarHBondContact O-N 2.94Å; Y679-Q683 VanDerWaalsContact O-N 3.15Å |
Retrieved 683 of 683 residues in 332.2 ms
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