| 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 | C | 58.7 | Low | 74.7 | Confident | 145 Ų | 145 | 101.2 Ų | 101.2 | 98% | 0.98 | 61% | 0.613 | S | S | * | * | 0 | -52.5 | 0 | -59.5 | 0 | 0 | 0 | 0 | 112.9 | D3 | C1-D3 VanDerWaalsContact C-N 3.35Å; C1-D3 PolarHBondContact O-N 3.11Å | |||
| 2 | A | 58.9 | Low | 76 | Confident | 76 Ų | 76 | 103.7 Ų | 103.7 | 63% | 0.628 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -55.1 | -44.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q4 A5 L6 | A2-Q4 PolarHBondContact O-N 3.14Å; A2-A5 WeakPolarHBondContact O-CB 3.31Å; A2-A5 PolarHBondContact O-N 3.34Å; A2-A5 VanDerWaalsContact O-N 3.1Å; A2-L6 PolarHBondContact O-N 3.44Å; A2-L6 VanDerWaalsContact O-N 3.11Å |
| 3 | D | 64.1 | Low | 77.1 | Confident | 122 Ų | 122 | 100.4 Ų | 100.4 | 65% | 0.652 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66.8 | -35.7 | -171 | -43.1 | -78.4 | 0 | 0 | 0 | 113 | C1 A5 L6 L7 | C1-D3 VanDerWaalsContact C-N 3.35Å; C1-D3 PolarHBondContact O-N 3.11Å; D3-A5 VanDerWaalsContact C-N 3.34Å; D3-A5 PolarHBondContact O-N 3.34Å; D3-L6 PolarHBondContact O-N 3.19Å; D3-L7 WeakPolarHBondContact O-CB 3.46Å; D3-L7 PolarHBondContact O-N 2.94Å |
| 4 | Q | 69.4 | Low | 78.3 | Confident | 145 Ų | 145 | 98.6 Ų | 98.6 | 68% | 0.678 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.9 | -36.1 | 174.3 | -75.4 | 178.3 | -66.4 | 0 | 0 | 112 | A2 L8 | A2-Q4 PolarHBondContact O-N 3.14Å; Q4-L8 WeakPolarHBondContact O-CB 3.27Å; Q4-L8 VanDerWaalsContact O-CG 3.27Å; Q4-L8 WeakPolarHBondContact O-CG 3.41Å; Q4-L8 PolarHBondContact O-N 3.16Å |
| 5 | A | 73.8 | Confident | 79.2 | Confident | 64 Ų | 64 | 94.3 Ų | 94.3 | 53% | 0.529 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.8 | -40.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | A2 D3 A9 | A2-A5 WeakPolarHBondContact O-CB 3.31Å; A2-A5 PolarHBondContact O-N 3.34Å; A2-A5 VanDerWaalsContact O-N 3.1Å; D3-A5 VanDerWaalsContact C-N 3.34Å; D3-A5 PolarHBondContact O-N 3.34Å; A5-A9 WeakPolarHBondContact O-CB 3.16Å; A5-A9 PolarHBondContact O-N 3.13Å |
| 6 | L | 77.8 | Confident | 80.2 | Confident | 119 Ų | 119 | 95.9 Ų | 95.9 | 62% | 0.623 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.3 | -45.4 | 174.9 | -174.6 | 66.4 | 0 | 0 | 0 | 111.7 | A2 D3 A9 V10 | A2-L6 PolarHBondContact O-N 3.44Å; A2-L6 VanDerWaalsContact O-N 3.11Å; D3-L6 PolarHBondContact O-N 3.19Å; L6-A9 PolarHBondContact O-N 3.07Å; L6-V10 WeakPolarHBondContact O-CG2 3.27Å; L6-V10 PolarHBondContact O-N 3.2Å |
| 7 | L | 79.4 | Confident | 81 | Confident | 120 Ų | 120 | 97.4 Ų | 97.4 | 63% | 0.628 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66 | -40.2 | -178.3 | -145.1 | 157.7 | 0 | 0 | 0 | 111.4 | D3 V10 C11 | D3-L7 WeakPolarHBondContact O-CB 3.46Å; D3-L7 PolarHBondContact O-N 2.94Å; L7-V10 PolarHBondContact O-N 3.49Å; L7-C11 PolarHBondContact O-N 3.38Å; L7-C11 PolarHBondContact O-SG 3.5Å; L7-C11 VanDerWaalsContact O-SG 3.38Å |
| 8 | L | 82.8 | Confident | 81.7 | Confident | 115 Ų | 115 | 97.9 Ų | 97.9 | 60% | 0.602 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.9 | -41.6 | 171.5 | -72.4 | 170.3 | 0 | 0 | 0 | 112.4 | Q4 V10 C11 L12 | Q4-L8 WeakPolarHBondContact O-CB 3.27Å; Q4-L8 VanDerWaalsContact O-CG 3.27Å; Q4-L8 WeakPolarHBondContact O-CG 3.41Å; Q4-L8 PolarHBondContact O-N 3.16Å; L8-V10 VanDerWaalsContact C-N 3.34Å; L8-V10 PolarHBondContact O-N 2.99Å; L8-C11 PolarHBondContact O-N 3.17Å; L8-L12 WeakPolarHBondContact O-CB 3.5Å; L8-L12 VanDerWaalsContact O-CG 3.31Å; L8-L12 WeakPolarHBondContact O-CG 3.45Å; L8-L12 PolarHBondContact O-N 2.95Å |
| 9 | A | 83.1 | Confident | 82.4 | Confident | 54 Ų | 54 | 98.1 Ų | 98.1 | 45% | 0.446 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.5 | -37.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | A5 L6 S13 | A5-A9 WeakPolarHBondContact O-CB 3.16Å; A5-A9 PolarHBondContact O-N 3.13Å; L6-A9 PolarHBondContact O-N 3.07Å; A9-S13 PolarHBondContact O-N 2.85Å; A9-S13 PolarHBondContact O-OG 3.19Å |
| 10 | V | 87 | Confident | 83.1 | Confident | 76 Ų | 76 | 96.7 Ų | 96.7 | 46% | 0.461 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.8 | -43.4 | 174.2 | 173.9 | 0 | 0 | 0 | 0 | 111.4 | L6 L7 L8 L12 S13 V14 | L6-V10 WeakPolarHBondContact O-CG2 3.27Å; L6-V10 PolarHBondContact O-N 3.2Å; L7-V10 PolarHBondContact O-N 3.49Å; L8-V10 VanDerWaalsContact C-N 3.34Å; L8-V10 PolarHBondContact O-N 2.99Å; V10-L12 VanDerWaalsContact C-N 3.31Å; V10-L12 PolarHBondContact O-N 3.1Å; V10-S13 PolarHBondContact O-N 2.78Å; V10-S13 PolarHBondContact O-OG 3.12Å; V10-S13 VanDerWaalsContact O-OG 3.07Å; V10-V14 HydrophobicContact CG1-CG2 4.4Å; V10-V14 WeakPolarHBondContact O-CG2 3.07Å; V10-V14 PolarHBondContact O-N 2.72Å |
| 11 | C | 86.5 | Confident | 83.6 | Confident | 77 Ų | 77 | 96.8 Ų | 96.8 | 52% | 0.52 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.2 | -39.2 | 175.3 | -71.6 | 0 | 0 | 0 | 0 | 112.4 | L7 L8 G15 | L7-C11 PolarHBondContact O-N 3.38Å; L7-C11 PolarHBondContact O-SG 3.5Å; L7-C11 VanDerWaalsContact O-SG 3.38Å; L8-C11 PolarHBondContact O-N 3.17Å; C11-G15 PolarHBondContact O-N 3.12Å |
| 12 | L | 91.1 | Very high | 85.3 | Confident | 131 Ų | 131 | 95 Ų | 95 | 69% | 0.686 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -67.3 | -41.6 | 176.4 | -73.1 | 168.3 | 0 | 0 | 0 | 112.6 | L8 V10 G15 L16 | L8-L12 WeakPolarHBondContact O-CB 3.5Å; L8-L12 VanDerWaalsContact O-CG 3.31Å; L8-L12 WeakPolarHBondContact O-CG 3.45Å; L8-L12 PolarHBondContact O-N 2.95Å; V10-L12 VanDerWaalsContact C-N 3.31Å; V10-L12 PolarHBondContact O-N 3.1Å; L12-G15 PolarHBondContact O-N 2.98Å; L12-L16 WeakPolarHBondContact O-CB 3.49Å; L12-L16 PolarHBondContact O-N 2.9Å |
| 13 | S | 90.2 | Very high | 87 | Confident | 61 Ų | 61 | 96.1 Ų | 96.1 | 43% | 0.427 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -70.1 | -39.1 | 179.7 | 67.1 | 0 | 0 | 0 | 0 | 112.7 | A9 V10 L16 L17 | A9-S13 PolarHBondContact O-N 2.85Å; A9-S13 PolarHBondContact O-OG 3.19Å; V10-S13 PolarHBondContact O-N 2.78Å; V10-S13 PolarHBondContact O-OG 3.12Å; V10-S13 VanDerWaalsContact O-OG 3.07Å; S13-L16 PolarHBondContact O-N 2.88Å; S13-L17 PolarHBondContact O-N 2.71Å |
| 14 | V | 92.9 | Very high | 88.5 | Confident | 75 Ų | 75 | 95 Ų | 95 | 46% | 0.455 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.5 | -42 | 172.8 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | V10 L16 L17 L18 | V10-V14 HydrophobicContact CG1-CG2 4.4Å; V10-V14 WeakPolarHBondContact O-CG2 3.07Å; V10-V14 PolarHBondContact O-N 2.72Å; V14-L16 PolarHBondContact O-N 3.31Å; V14-L17 PolarHBondContact O-N 2.69Å; V14-L18 HydrophobicContact CG1-CD1 4.19Å; V14-L18 WeakPolarHBondContact O-CG 3.35Å; V14-L18 PolarHBondContact O-N 2.82Å |
| 15 | G | 92.9 | Very high | 89.6 | Confident | 34 Ų | 34 | 92.6 Ų | 92.6 | 35% | 0.351 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | C11 L12 L18 L19 | C11-G15 PolarHBondContact O-N 3.12Å; L12-G15 PolarHBondContact O-N 2.98Å; G15-L18 PolarHBondContact O-N 2.79Å; G15-L19 WeakPolarHBondContact O-CB 3.43Å; G15-L19 PolarHBondContact O-N 2.98Å |
| 16 | L | 94.7 | Very high | 90.5 | Very high | 120 Ų | 120 | 93 Ų | 93 | 63% | 0.628 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.4 | -43.1 | 176 | -165.1 | 76 | 0 | 0 | 0 | 111.7 | L12 S13 V14 L19 V20 | L12-L16 WeakPolarHBondContact O-CB 3.49Å; L12-L16 PolarHBondContact O-N 2.9Å; S13-L16 PolarHBondContact O-N 2.88Å; V14-L16 PolarHBondContact O-N 3.31Å; L16-L19 PolarHBondContact O-N 3.07Å; L16-V20 WeakPolarHBondContact O-CG2 3.23Å; L16-V20 PolarHBondContact O-N 3.44Å |
| 17 | L | 94.3 | Very high | 91.2 | Very high | 121 Ų | 121 | 92.3 Ų | 92.3 | 63% | 0.634 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.6 | -45.9 | 176.2 | -99.9 | 163.1 | 0 | 0 | 0 | 112.4 | S13 V14 L19 V20 L21 | S13-L17 PolarHBondContact O-N 2.71Å; V14-L17 PolarHBondContact O-N 2.69Å; L17-L19 PolarHBondContact O-N 3.39Å; L17-V20 PolarHBondContact O-N 2.87Å; L17-L21 WeakPolarHBondContact O-CB 3.44Å; L17-L21 PolarHBondContact O-N 3.34Å |
| 18 | L | 93.6 | Very high | 91.7 | Very high | 107 Ų | 107 | 89.6 Ų | 89.6 | 56% | 0.56 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.2 | -41.9 | 176.4 | -74.9 | 166.6 | 0 | 0 | 0 | 111.9 | V14 G15 L21 L22 | V14-L18 HydrophobicContact CG1-CD1 4.19Å; V14-L18 WeakPolarHBondContact O-CG 3.35Å; V14-L18 PolarHBondContact O-N 2.82Å; G15-L18 PolarHBondContact O-N 2.79Å; L18-L21 PolarHBondContact O-N 2.97Å; L18-L22 WeakPolarHBondContact O-CG 3.46Å; L18-L22 PolarHBondContact O-N 3.11Å |
| 19 | L | 95 | Very high | 91.7 | Very high | 101 Ų | 101 | 88.1 Ų | 88.1 | 53% | 0.529 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.1 | -43.2 | 179.2 | -159.3 | 159.7 | 0 | 0 | 0 | 111.4 | G15 L16 L17 L21 L22 L23 | G15-L19 WeakPolarHBondContact O-CB 3.43Å; G15-L19 PolarHBondContact O-N 2.98Å; L16-L19 PolarHBondContact O-N 3.07Å; L17-L19 PolarHBondContact O-N 3.39Å; L19-L21 VanDerWaalsContact C-N 3.34Å; L19-L21 PolarHBondContact O-N 2.8Å; L19-L22 PolarHBondContact O-N 3.25Å; L19-L23 HydrophobicContact CD2-CD1 3.69Å; L19-L23 HydrophobicContact CD2-CG 4.15Å; L19-L23 WeakPolarHBondContact O-CG 3.38Å; L19-L23 PolarHBondContact O-N 3.17Å |
| 20 | V | 95.2 | Very high | 91.9 | Very high | 70 Ų | 70 | 90.6 Ų | 90.6 | 42% | 0.424 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.9 | -41.8 | 172.8 | 169.9 | 0 | 0 | 0 | 0 | 111.5 | L16 L17 L22 L23 I24 | L16-V20 WeakPolarHBondContact O-CG2 3.23Å; L16-V20 PolarHBondContact O-N 3.44Å; L17-V20 PolarHBondContact O-N 2.87Å; V20-L22 PolarHBondContact O-N 3.13Å; V20-L23 PolarHBondContact O-N 2.88Å; V20-I24 HydrophobicContact CG1-CD1 3.93Å; V20-I24 WeakPolarHBondContact O-CG1 3.41Å; V20-I24 PolarHBondContact O-N 2.66Å |
| 21 | L | 94.3 | Very high | 91.6 | Very high | 99 Ų | 99 | 95.9 Ų | 95.9 | 52% | 0.518 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.8 | -36.6 | 179.7 | -161.2 | 149 | 0 | 0 | 0 | 112 | L17 L18 L19 I24 L25 | L17-L21 WeakPolarHBondContact O-CB 3.44Å; L17-L21 PolarHBondContact O-N 3.34Å; L18-L21 PolarHBondContact O-N 2.97Å; L19-L21 VanDerWaalsContact C-N 3.34Å; L19-L21 PolarHBondContact O-N 2.8Å; L21-I24 PolarHBondContact O-N 2.77Å; L21-L25 HydrophobicContact CD2-CD1 3.7Å; L21-L25 HydrophobicContact CD2-CG 4.18Å; L21-L25 WeakPolarHBondContact O-CG 3.44Å; L21-L25 PolarHBondContact O-N 2.64Å |
| 22 | L | 94.4 | Very high | 91.2 | Very high | 109 Ų | 109 | 101.6 Ų | 101.6 | 57% | 0.571 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.4 | -37.3 | 171 | -71.2 | 169.3 | 0 | 0 | 0 | 112.8 | L18 L19 V20 L25 T26 | L18-L22 WeakPolarHBondContact O-CG 3.46Å; L18-L22 PolarHBondContact O-N 3.11Å; L19-L22 PolarHBondContact O-N 3.25Å; V20-L22 PolarHBondContact O-N 3.13Å; L22-L25 PolarHBondContact O-N 2.85Å; L22-T26 WeakPolarHBondContact O-CB 3.41Å; L22-T26 WeakPolarHBondContact O-CG2 3.36Å; L22-T26 PolarHBondContact O-N 3.19Å; L22-T26 PolarHBondContact O-OG1 3.16Å |
| 23 | L | 95.2 | Very high | 90.6 | Very high | 99 Ų | 99 | 102.2 Ų | 102.2 | 52% | 0.518 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.9 | -38.5 | 173.1 | -72.4 | 172.7 | 0 | 0 | 0 | 111.8 | L19 V20 T26 M27 | L19-L23 HydrophobicContact CD2-CD1 3.69Å; L19-L23 HydrophobicContact CD2-CG 4.15Å; L19-L23 WeakPolarHBondContact O-CG 3.38Å; L19-L23 PolarHBondContact O-N 3.17Å; V20-L23 PolarHBondContact O-N 2.88Å; L23-T26 WeakPolarHBondContact CA-OG1 3.39Å; L23-T26 PolarHBondContact O-OG1 3.21Å; L23-T26 VanDerWaalsContact O-OG1 3.08Å; L23-M27 VanDerWaalsContact O-CB 3.32Å; L23-M27 WeakPolarHBondContact O-CB 3.37Å; L23-M27 VanDerWaalsContact O-CG 3.28Å; L23-M27 WeakPolarHBondContact O-CG 3.42Å; L23-M27 PolarHBondContact O-N 2.8Å |
| 24 | I | 94.3 | Very high | 89.9 | Confident | 98 Ų | 98 | 107.3 Ų | 107.3 | 50% | 0.503 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65 | -48 | 173.9 | -68.2 | 165.7 | 0 | 0 | 0 | 110.5 | V20 L21 T26 M27 C28 | V20-I24 HydrophobicContact CG1-CD1 3.93Å; V20-I24 WeakPolarHBondContact O-CG1 3.41Å; V20-I24 PolarHBondContact O-N 2.66Å; L21-I24 PolarHBondContact O-N 2.77Å; I24-T26 PolarHBondContact O-N 2.85Å; I24-M27 PolarHBondContact O-N 3.25Å; I24-C28 WeakPolarHBondContact O-CB 3.4Å; I24-C28 PolarHBondContact O-N 3.02Å; I24-C28 PolarHBondContact O-SG 3.04Å |
| 25 | L | 93.8 | Very high | 88.6 | Confident | 94 Ų | 94 | 109.8 Ų | 109.8 | 49% | 0.492 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.4 | -45.2 | 178.1 | -75.8 | 172.8 | 0 | 0 | 0 | 112.4 | L21 L22 C28 C29 | L21-L25 HydrophobicContact CD2-CD1 3.7Å; L21-L25 HydrophobicContact CD2-CG 4.18Å; L21-L25 WeakPolarHBondContact O-CG 3.44Å; L21-L25 PolarHBondContact O-N 2.64Å; L22-L25 PolarHBondContact O-N 2.85Å; L25-C28 PolarHBondContact O-N 3.44Å; L25-C29 WeakPolarHBondContact O-CB 3.22Å; L25-C29 PolarHBondContact O-N 2.88Å; L25-C29 PolarHBondContact O-SG 2.9Å; L25-C29 VanDerWaalsContact O-SG 3.38Å |
| 26 | T | 91.8 | Very high | 87.2 | Confident | 74 Ų | 74 | 115.5 Ų | 115.5 | 45% | 0.454 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.3 | -41 | 177.4 | 49.6 | 0 | 0 | 0 | 0 | 111.8 | L22 L23 I24 C28 C29 L30 | L22-T26 WeakPolarHBondContact O-CB 3.41Å; L22-T26 WeakPolarHBondContact O-CG2 3.36Å; L22-T26 PolarHBondContact O-N 3.19Å; L22-T26 PolarHBondContact O-OG1 3.16Å; L23-T26 WeakPolarHBondContact CA-OG1 3.39Å; L23-T26 PolarHBondContact O-OG1 3.21Å; L23-T26 VanDerWaalsContact O-OG1 3.08Å; I24-T26 PolarHBondContact O-N 2.85Å; T26-C28 PolarHBondContact O-N 3.01Å; T26-C29 PolarHBondContact O-N 2.92Å; T26-L30 WeakPolarHBondContact O-CB 3.31Å; T26-L30 WeakPolarHBondContact O-CG 3.28Å; T26-L30 PolarHBondContact O-N 3.11Å |
| 27 | M | 92.9 | Very high | 85.5 | Confident | 103 Ų | 103 | 115.4 Ų | 115.4 | 51% | 0.507 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.1 | -36.5 | 173.2 | -74.8 | -66.2 | -78.9 | 0 | 0 | 113.1 | L23 I24 L30 R31 | L23-M27 VanDerWaalsContact O-CB 3.32Å; L23-M27 WeakPolarHBondContact O-CB 3.37Å; L23-M27 VanDerWaalsContact O-CG 3.28Å; L23-M27 WeakPolarHBondContact O-CG 3.42Å; L23-M27 PolarHBondContact O-N 2.8Å; I24-M27 PolarHBondContact O-N 3.25Å; M27-L30 PolarHBondContact O-N 2.8Å; M27-L30 HydrophobicContact SD-CD1 4.33Å; M27-R31 WeakPolarHBondContact O-CB 3.47Å; M27-R31 VanDerWaalsContact O-CG 3.3Å; M27-R31 WeakPolarHBondContact O-CG 3.5Å; M27-R31 PolarHBondContact O-N 2.82Å |
| 28 | C | 90.3 | Very high | 83.3 | Confident | 64 Ų | 64 | 111.4 Ų | 111.4 | 43% | 0.432 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.1 | -40.6 | 171.6 | -79.1 | 0 | 0 | 0 | 0 | 112.2 | I24 L25 T26 R31 R32 | I24-C28 WeakPolarHBondContact O-CB 3.4Å; I24-C28 PolarHBondContact O-N 3.02Å; I24-C28 PolarHBondContact O-SG 3.04Å; L25-C28 PolarHBondContact O-N 3.44Å; T26-C28 PolarHBondContact O-N 3.01Å; C28-R31 PolarHBondContact O-N 2.96Å; C28-R32 WeakPolarHBondContact O-CB 3.44Å; C28-R32 WeakPolarHBondContact O-CG 3.36Å; C28-R32 PolarHBondContact O-N 3.05Å |
| 29 | C | 83.4 | Confident | 81.1 | Confident | 84 Ų | 84 | 113.3 Ų | 113.3 | 57% | 0.568 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.5 | -42.1 | 174.2 | -74.5 | 0 | 0 | 0 | 0 | 112.3 | L25 T26 R32 K33 | L25-C29 WeakPolarHBondContact O-CB 3.22Å; L25-C29 PolarHBondContact O-N 2.88Å; L25-C29 PolarHBondContact O-SG 2.9Å; L25-C29 VanDerWaalsContact O-SG 3.38Å; T26-C29 PolarHBondContact O-N 2.92Å; C29-R32 PolarHBondContact O-N 2.85Å; C29-K33 WeakPolarHBondContact O-CB 3.4Å; C29-K33 PolarHBondContact O-N 3.08Å |
| 30 | L | 86.1 | Confident | 78.5 | Confident | 105 Ų | 105 | 116.8 Ų | 116.8 | 55% | 0.55 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.1 | -40.8 | 175.1 | -71.1 | 172.3 | 0 | 0 | 0 | 112 | T26 M27 K33 K34 | T26-L30 WeakPolarHBondContact O-CB 3.31Å; T26-L30 WeakPolarHBondContact O-CG 3.28Å; T26-L30 PolarHBondContact O-N 3.11Å; M27-L30 PolarHBondContact O-N 2.8Å; M27-L30 HydrophobicContact SD-CD1 4.33Å; L30-K33 PolarHBondContact O-N 3.16Å; L30-K34 WeakPolarHBondContact O-CB 3.45Å; L30-K34 PolarHBondContact O-N 2.71Å |
| 31 | R | 81.4 | Confident | 75.7 | Confident | 188 Ų | 188 | 119.5 Ų | 119.5 | 71% | 0.709 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61.8 | -45 | 171.8 | -76.6 | 178.3 | 176.8 | -165.4 | -0.3 | 111.6 | M27 C28 K33 K34 N35 | M27-R31 WeakPolarHBondContact O-CB 3.47Å; M27-R31 VanDerWaalsContact O-CG 3.3Å; M27-R31 WeakPolarHBondContact O-CG 3.5Å; M27-R31 PolarHBondContact O-N 2.82Å; C28-R31 PolarHBondContact O-N 2.96Å; R31-K33 PolarHBondContact O-N 3.46Å; R31-K34 PolarHBondContact O-N 3.05Å; R31-N35 WeakPolarHBondContact O-CB 3.38Å; R31-N35 PolarHBondContact O-N 3.15Å |
| 32 | R | 77.4 | Confident | 73.1 | Confident | 197 Ų | 197 | 123.1 Ų | 123.1 | 74% | 0.743 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -60.1 | -41.4 | 173.5 | -80.8 | -177.6 | 168.7 | -168.7 | -3.1 | 112.1 | C28 C29 K36 | C28-R32 WeakPolarHBondContact O-CB 3.44Å; C28-R32 WeakPolarHBondContact O-CG 3.36Å; C28-R32 PolarHBondContact O-N 3.05Å; C29-R32 PolarHBondContact O-N 2.85Å; R32-K36 WeakPolarHBondContact O-CG 3.21Å; R32-K36 PolarHBondContact O-N 3.34Å; R32-K36 VanDerWaalsContact O-N 3.11Å |
| 33 | K | 78.9 | Confident | 70.7 | Confident | 144 Ų | 144 | 124.7 Ų | 124.7 | 63% | 0.626 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -65.6 | -46.7 | 176.4 | -169.9 | 177 | -179.5 | -178.8 | 0 | 111.8 | C29 L30 R31 N35 K36 Q37 | C29-K33 WeakPolarHBondContact O-CB 3.4Å; C29-K33 PolarHBondContact O-N 3.08Å; L30-K33 PolarHBondContact O-N 3.16Å; R31-K33 PolarHBondContact O-N 3.46Å; K33-N35 PolarHBondContact O-N 3.05Å; K33-K36 PolarHBondContact O-N 3.33Å; K33-Q37 PolarHBondContact O-N 3.2Å |
| 34 | K | 74.3 | Confident | 67.8 | Low | 168 Ų | 168 | 126.2 Ų | 126.2 | 73% | 0.73 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -64.6 | -37.9 | 178.3 | -169 | 172 | -178.2 | 177.5 | 0 | 112.2 | L30 R31 Q37 G38 | L30-K34 WeakPolarHBondContact O-CB 3.45Å; L30-K34 PolarHBondContact O-N 2.71Å; R31-K34 PolarHBondContact O-N 3.05Å; K34-Q37 PolarHBondContact O-N 2.57Å; K34-G38 PolarHBondContact O-N 2.82Å |
| 35 | N | 65.6 | Low | 65.2 | Low | 126 Ų | 126 | 127.1 Ų | 127.1 | 67% | 0.674 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -65.6 | -42.7 | 176 | -159.6 | 31.7 | 0 | 0 | 0 | 111.9 | R31 K33 Q37 G38 | R31-N35 WeakPolarHBondContact O-CB 3.38Å; R31-N35 PolarHBondContact O-N 3.15Å; K33-N35 PolarHBondContact O-N 3.05Å; N35-Q37 VanDerWaalsContact C-N 3.28Å; N35-Q37 PolarHBondContact O-N 3.32Å; N35-G38 PolarHBondContact O-N 2.8Å |
| 36 | K | 64.7 | Low | 62.4 | Low | 155 Ų | 155 | 126.9 Ų | 126.9 | 67% | 0.674 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -59.8 | -36.9 | 170.9 | -75.7 | -173.2 | 174.9 | -167.9 | 0 | 112.5 | R32 K33 Y40 | R32-K36 WeakPolarHBondContact O-CG 3.21Å; R32-K36 PolarHBondContact O-N 3.34Å; R32-K36 VanDerWaalsContact O-N 3.11Å; K33-K36 PolarHBondContact O-N 3.33Å; K36-Y40 WeakPolarHBondContact O-CD2 3.4Å |
| 37 | Q | 58.2 | Low | 59.5 | Low | 117 Ų | 117 | 129.9 Ų | 129.9 | 55% | 0.547 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -73.9 | -32 | -179.8 | -166.1 | 166.8 | -5.2 | 0 | 0 | 112.8 | K33 K34 N35 Q39 Y40 Q41 | K33-Q37 PolarHBondContact O-N 3.2Å; K34-Q37 PolarHBondContact O-N 2.57Å; N35-Q37 VanDerWaalsContact C-N 3.28Å; N35-Q37 PolarHBondContact O-N 3.32Å; Q37-Q39 VanDerWaalsContact C-N 3.34Å; Q37-Q39 PolarHBondContact O-N 2.71Å; Q37-Y40 PolarHBondContact O-N 3.33Å; Q37-Y40 VanDerWaalsContact O-N 3.12Å; Q37-Q41 PolarHBondContact O-N 3.36Å |
| 38 | G | 49.6 | Very low | 56.7 | Low | 38 Ų | 38 | 130 Ų | 130 | 39% | 0.392 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -56.7 | -44.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113 | K34 N35 Y40 Q41 | K34-G38 PolarHBondContact O-N 2.82Å; N35-G38 PolarHBondContact O-N 2.8Å; G38-Y40 PolarHBondContact O-N 2.91Å; G38-Y40 VanDerWaalsContact O-N 3.12Å; G38-Q41 PolarHBondContact O-N 3.05Å |
| 39 | Q | 46.2 | Very low | 54.1 | Low | 146 Ų | 146 | 132.8 Ų | 132.8 | 68% | 0.682 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -62.1 | -17.2 | 177 | -76.2 | -172.1 | -50.5 | 0 | 0 | 114.9 | Q37 | Q37-Q39 VanDerWaalsContact C-N 3.34Å; Q37-Q39 PolarHBondContact O-N 2.71Å |
| 40 | Y | 40.5 | Very low | 51.6 | Low | 175 Ų | 175 | 135 Ų | 135 | 69% | 0.686 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -93.3 | -21.3 | 173.4 | -81 | -92.9 | 0 | 0 | 0 | 113.1 | K36 Q37 G38 | K36-Y40 WeakPolarHBondContact O-CD2 3.4Å; Q37-Y40 PolarHBondContact O-N 3.33Å; Q37-Y40 VanDerWaalsContact O-N 3.12Å; G38-Y40 PolarHBondContact O-N 2.91Å; G38-Y40 VanDerWaalsContact O-N 3.12Å |
| 41 | Q | 37 | Very low | 49.1 | Very low | 127 Ų | 127 | 134.8 Ų | 134.8 | 59% | 0.593 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -78.6 | -33.5 | -174.8 | -155.8 | 74.3 | 28.9 | 0 | 0 | 112.5 | Q37 G38 L43 | Q37-Q41 PolarHBondContact O-N 3.36Å; G38-Q41 PolarHBondContact O-N 3.05Å; Q41-L43 PolarHBondContact O-N 2.94Å |
| 42 | E | 38.5 | Very low | 46.8 | Very low | 174 Ų | 174 | 130.5 Ų | 130.5 | 81% | 0.813 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -17.3 | 177.3 | -67.5 | -172.5 | 135.6 | 0 | 0 | 113.5 | I44 | E42-I44 VanDerWaalsContact C-N 3.3Å; E42-I44 PolarHBondContact O-N 2.93Å |
| 43 | L | 44.1 | Very low | 44.5 | Very low | 143 Ų | 143 | 129 Ų | 129 | 75% | 0.749 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | 1.3 | -177.3 | -83.5 | 161.2 | 0 | 0 | 0 | 115 | Q41 | Q41-L43 PolarHBondContact O-N 2.94Š|
| 44 | I | 35.6 | Very low | 42.3 | Very low | 131 Ų | 131 | 127.5 Ų | 127.5 | 67% | 0.672 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -117.1 | -17.8 | -172.3 | -60.6 | -179.5 | 0 | 0 | 0 | 113.1 | E42 A46 | E42-I44 VanDerWaalsContact C-N 3.3Å; E42-I44 PolarHBondContact O-N 2.93Å; I44-A46 PolarHBondContact O-N 2.8Å |
| 45 | S | 38.3 | Very low | 40.2 | Very low | 116 Ų | 116 | 124 Ų | 124 | 81% | 0.811 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -99.5 | 50.9 | -169 | -170.5 | 0 | 0 | 0 | 0 | 115.3 | ||
| 46 | A | 34.9 | Very low | 38.6 | Very low | 90 Ų | 90 | 123.8 Ų | 123.8 | 74% | 0.744 | 72% | 0.719 | S | S | * | * | trans | -154.2 | 82 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113 | I44 | I44-A46 PolarHBondContact O-N 2.8Š| ||
| 47 | V | 32.7 | Very low | 37 | Very low | 136 Ų | 136 | 122.9 Ų | 122.9 | 82% | 0.824 | 73% | 0.726 | S | S | * | * | trans | -113.7 | 104.5 | 167.7 | 179.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 48 | P | 33.9 | Very low | 35.6 | Very low | 107 Ų | 107 | 124.6 Ų | 124.6 | 70% | 0.695 | 74% | 0.738 | S | S | * | * | trans | -72.1 | 135.8 | 166.3 | -11.2 | 27.6 | 0 | 0 | 0 | 109.8 | ||||
| 49 | S | 34.5 | Very low | 34.8 | Very low | 121 Ų | 121 | 127.9 Ų | 127.9 | 85% | 0.846 | 75% | 0.752 | S | S | * | * | trans | -72.9 | 136.6 | 168.6 | 42 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 50 | V | 32.3 | Very low | 34.1 | Very low | 130 Ų | 130 | 127.7 Ų | 127.7 | 79% | 0.788 | 76% | 0.761 | S | S | * | * | trans | -119.4 | 132.4 | 176.6 | -178.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 51 | P | 32.6 | Very low | 33.5 | Very low | 102 Ų | 102 | 124.5 Ų | 124.5 | 66% | 0.662 | 76% | 0.764 | S | S | * | * | trans | -66.6 | 151.3 | -179.8 | -20.9 | 33.5 | 0 | 0 | 0 | 113.5 | ||||
| 52 | A | 34 | Very low | 33.1 | Very low | 97 Ų | 97 | 127.7 Ų | 127.7 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | trans | -82.4 | 118.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 53 | H | 29.2 | Very low | 32.5 | Very low | 165 Ų | 165 | 122.8 Ų | 122.8 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | trans | -136.3 | 121.2 | 170 | -75.9 | -64.4 | 0 | 0 | 0 | 112.8 | ||||
| 54 | S | 30.8 | Very low | 31.6 | Very low | 113 Ų | 113 | 126.6 Ų | 126.6 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | 38.6 | 105.9 | 141.9 | -47.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 55 | A | 30.4 | Very low | 31.3 | Very low | 94 Ų | 94 | 125.5 Ų | 125.5 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 138.4 | 161.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 56 | P | 32.9 | Very low | 30.8 | Very low | 122 Ų | 122 | 124.6 Ų | 124.6 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 129.6 | 171.2 | 31 | -32.6 | 0 | 0 | 0 | 110.9 | ||
| 57 | V | 30.2 | Very low | 30.4 | Very low | 136 Ų | 136 | 131.8 Ų | 131.8 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 134 | 170.5 | 176.5 | 0 | 0 | 0 | 0 | 109.2 | P59 | V57-P59 VanDerWaalsContact O-CD 3.31Å; V57-P59 WeakPolarHBondContact O-CD 3.14Å |
| 58 | I | 30.5 | Very low | 30.5 | Very low | 154 Ų | 154 | 134.4 Ų | 134.4 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | -85.9 | 114.8 | 173.2 | -59.2 | 173 | 0 | 0 | 0 | 108.6 | ||||
| 59 | P | 32.2 | Very low | 30.4 | Very low | 107 Ų | 107 | 132.6 Ų | 132.6 | 70% | 0.695 | 80% | 0.8 | S | S | * | * | trans | -79.3 | 129.1 | 170.8 | 31.9 | -32.1 | 0 | 0 | 0 | 110.3 | V57 | V57-P59 VanDerWaalsContact O-CD 3.31Å; V57-P59 WeakPolarHBondContact O-CD 3.14Å | ||
| 60 | V | 30.3 | Very low | 30.3 | Very low | 141 Ų | 141 | 135.9 Ų | 135.9 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | trans | -83.2 | 122.7 | 166 | 177.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 61 | S | 29.6 | Very low | 30.3 | Very low | 109 Ų | 109 | 137.2 Ų | 137.2 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | trans | -112.7 | 132.8 | 174.3 | 47.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 62 | Q | 27.4 | Very low | 30.4 | Very low | 193 Ų | 193 | 138.5 Ų | 138.5 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | trans | -83.4 | 144.6 | 175.8 | -67 | 171.4 | -40.9 | 0 | 0 | 109.9 | ||||
| 63 | G | 26 | Very low | 30.5 | Very low | 72 Ų | 72 | 142.2 Ų | 142.2 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | trans | -76.4 | -173.2 | -161.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 64 | F | 24.8 | Very low | 30.9 | Very low | 222 Ų | 222 | 139.9 Ų | 139.9 | 97% | 0.974 | 81% | 0.812 | S | S | * | * | trans | -151 | 177.3 | 135.7 | -136.7 | -102.9 | 0 | 0 | 0 | 111.9 | ||||
| 65 | C | 29.2 | Very low | 30.9 | Very low | 109 Ų | 109 | 141.3 Ų | 141.3 | 74% | 0.736 | 81% | 0.81 | S | S | * | * | trans | -92.2 | 149.5 | -159.4 | -172.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 66 | A | 28 | Very low | 30.9 | Very low | 97 Ų | 97 | 142.2 Ų | 142.2 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | trans | -147.2 | 98.7 | 160.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 67 | R | 27.9 | Very low | 31.1 | Very low | 241 Ų | 241 | 142.4 Ų | 142.4 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | trans | 27.5 | 116.3 | 157.5 | -67.9 | 179.9 | 173.6 | 163 | -1.7 | 120.3 | ||||
| 68 | H | 33.4 | Very low | 31.2 | Very low | 190 Ų | 190 | 147.4 Ų | 147.4 | 88% | 0.88 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 155.8 | 150.1 | -89.5 | -109 | 0 | 0 | 0 | 111.8 | ||
| 69 | G | 31.8 | Very low | 31.2 | Very low | 69 Ų | 69 | 146.3 Ų | 146.3 | 71% | 0.711 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 146.6 | 155.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 70 | E | 32.6 | Very low | 31.3 | Very low | 191 Ų | 191 | 147.2 Ų | 147.2 | 89% | 0.893 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 151.8 | -173.3 | -61.3 | 178.7 | 147.2 | 0 | 0 | 112.8 | ||
| 71 | I | 31.9 | Very low | 31.2 | Very low | 158 Ų | 158 | 146.3 Ų | 146.3 | 81% | 0.81 | 82% | 0.818 | S | S | * | * | trans | -120.5 | 123 | 164.8 | -59.7 | 175.8 | 0 | 0 | 0 | 106.7 | ||||
| 72 | P | 35.9 | Very low | 31.1 | Very low | 128 Ų | 128 | 150.4 Ų | 150.4 | 83% | 0.831 | 83% | 0.825 | S | S | * | * | trans | -76.4 | 138.2 | -176.2 | 30.6 | -34.5 | 0 | 0 | 0 | 111.6 | ||||
| 73 | F | 35.6 | Very low | 31.2 | Very low | 175 Ų | 175 | 148.4 Ų | 148.4 | 77% | 0.768 | 82% | 0.821 | S | S | * | * | trans | -127 | 140.2 | 163.8 | 69.1 | -86.3 | 0 | 0 | 0 | 109.6 | L75 | F73-L75 HydrophobicContact CD2-CD2 4.37Å; F73-L75 HydrophobicContact CD2-CG 4.47Å; F73-L75 HydrophobicContact CE2-CD2 4.18Å; F73-L75 HydrophobicContact CE2-CG 4.25Å | ||
| 74 | S | 38.2 | Very low | 31.3 | Very low | 117 Ų | 117 | 151 Ų | 151 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | -107.1 | 144.4 | 175.9 | 49 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 75 | L | 29.8 | Very low | 31.5 | Very low | 142 Ų | 142 | 144.3 Ų | 144.3 | 74% | 0.743 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -99.9 | 140.5 | -179.4 | -69.8 | 171 | 0 | 0 | 0 | 111 | F73 | F73-L75 HydrophobicContact CD2-CD2 4.37Å; F73-L75 HydrophobicContact CD2-CG 4.47Å; F73-L75 HydrophobicContact CE2-CD2 4.18Å; F73-L75 HydrophobicContact CE2-CG 4.25Å |
| 76 | P | 31.4 | Very low | 31.4 | Very low | 114 Ų | 114 | 145.1 Ų | 145.1 | 74% | 0.74 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 152.8 | 170.3 | -19.7 | 32.5 | 0 | 0 | 0 | 112.3 | ||
| 77 | P | 36.5 | Very low | 31.5 | Very low | 126 Ų | 126 | 147.2 Ų | 147.2 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 147.8 | 177.2 | 28.9 | -34.9 | 0 | 0 | 0 | 112.2 | ||
| 78 | R | 32.3 | Very low | 31.5 | Very low | 241 Ų | 241 | 145 Ų | 145 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 133.1 | 175.8 | -74.4 | 179.8 | 170.4 | 176.9 | -3.8 | 111.4 | ||
| 79 | C | 29.9 | Very low | 31.3 | Very low | 131 Ų | 131 | 142.4 Ų | 142.4 | 89% | 0.885 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 137.9 | 159.9 | -62.3 | 0 | 0 | 0 | 0 | 110.3 | ||
| 80 | V | 34 | Very low | 31.2 | Very low | 126 Ų | 126 | 143.8 Ų | 143.8 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 130.4 | 174.3 | 178 | 0 | 0 | 0 | 0 | 108.9 | Q82 | V80-Q82 PolarHBondContact O-N 2.85Š|
| 81 | P | 29.2 | Very low | 31.1 | Very low | 121 Ų | 121 | 143 Ų | 143 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | trans | -76.8 | 112.8 | 173.1 | 30.3 | -32 | 0 | 0 | 0 | 110.4 | ||||
| 82 | Q | 28.3 | Very low | 30.9 | Very low | 195 Ų | 195 | 140.6 Ų | 140.6 | 91% | 0.911 | 79% | 0.789 | S | S | * | * | trans | -81.5 | 152.5 | 157.8 | -86.7 | -175.2 | -18.2 | 0 | 0 | 110 | V80 | V80-Q82 PolarHBondContact O-N 2.85Š| ||
| 83 | N | 28.9 | Very low | 30.5 | Very low | 151 Ų | 151 | 142.8 Ų | 142.8 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | trans | -136.2 | 161.1 | -168.9 | -162.7 | 8.2 | 0 | 0 | 0 | 111.1 | ||||
| 84 | T | 28.3 | Very low | 30.2 | Very low | 126 Ų | 126 | 141.8 Ų | 141.8 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | 73.8 | 121 | 173.8 | -6.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 85 | A | 27.7 | Very low | 29.8 | Very low | 83 Ų | 83 | 146.1 Ų | 146.1 | 69% | 0.686 | 79% | 0.79 | S | S | * | * | 149.1 | 118.1 | 104 | 0 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 86 | V | 27.5 | Very low | 29.7 | Very low | 125 Ų | 125 | 148 Ų | 148 | 76% | 0.758 | 80% | 0.796 | S | S | * | * | 84.8 | 116.3 | 121.6 | 170.2 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 87 | L | 31 | Very low | 29.6 | Very low | 141 Ų | 141 | 152.7 Ų | 152.7 | 74% | 0.738 | 80% | 0.804 | S | S | * | * | trans | 74.2 | 147.3 | 160.8 | -56.1 | 166.5 | 0 | 0 | 0 | 117.4 | ||||
| 88 | R | 28.4 | Very low | 29.2 | Very low | 195 Ų | 195 | 155.5 Ų | 155.5 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | cis | -158.1 | 148.5 | -1.9 | -124.4 | -172.9 | -177.8 | 142.5 | 5 | 113.6 | ||||
| 89 | D | 28.3 | Very low | 29 | Very low | 135 Ų | 135 | 147.7 Ų | 147.7 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | trans | 46 | 152.2 | 141.8 | -52.1 | -17.1 | 0 | 0 | 0 | 124.9 | ||||
| 90 | A | 30 | Very low | 28.8 | Very low | 98 Ų | 98 | 144.9 Ų | 144.9 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | 75.7 | 143.7 | 158.3 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 91 | E | 29.5 | Very low | 28.5 | Very low | 174 Ų | 174 | 146 Ų | 146 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | cis | -168.3 | 130.4 | -30 | -153.5 | 169 | -153.3 | 0 | 0 | 111.3 | ||||
| 92 | S | 27.7 | Very low | 28.5 | Very low | 109 Ų | 109 | 148.3 Ų | 148.3 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | 61.5 | 166.5 | 161.9 | 79 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 93 | Q | 29.1 | Very low | 28.6 | Very low | 173 Ų | 173 | 144.4 Ų | 144.4 | 81% | 0.808 | 78% | 0.775 | S | S | * | * | cis | -147.9 | 177.7 | -4.2 | -145.1 | 171.5 | 17.7 | 0 | 0 | 111.7 | ||||
| 94 | E | 28.7 | Very low | 28.5 | Very low | 155 Ų | 155 | 141.9 Ų | 141.9 | 72% | 0.724 | 76% | 0.761 | S | S | * | * | trans | -85.9 | 162.9 | -167.6 | -40.3 | 116.2 | 146.5 | 0 | 0 | 115.6 | ||||
| 95 | K | 29.6 | Very low | 28.6 | Very low | 207 Ų | 207 | 139.8 Ų | 139.8 | 90% | 0.9 | 76% | 0.757 | S | S | * | * | -166.1 | 144.2 | 110.9 | -109.1 | 165.8 | -174 | 166.7 | 0 | 115.5 | |||||
| 96 | E | 28.1 | Very low | 28.7 | Very low | 183 Ų | 183 | 143.8 Ų | 143.8 | 86% | 0.855 | 76% | 0.761 | S | S | * | * | trans | -88.7 | 162.6 | 177.4 | -53.8 | 169.6 | 118.9 | 0 | 0 | 112.7 | ||||
| 97 | K | 29 | Very low | 28.8 | Very low | 212 Ų | 212 | 146 Ų | 146 | 92% | 0.922 | 76% | 0.756 | S | S | * | * | -154.1 | 122.6 | 128.6 | -119.6 | -179.6 | -178 | -175.1 | 0 | 111.6 | |||||
| 98 | E | 27.5 | Very low | 28.8 | Very low | 184 Ų | 184 | 146.5 Ų | 146.5 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | trans | -89.9 | 156.8 | 179.2 | -169.6 | 176.2 | -160.8 | 0 | 0 | 112.1 | ||||
| 99 | G | 28.1 | Very low | 29.2 | Very low | 77 Ų | 77 | 144.4 Ų | 144.4 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | trans | -173.7 | 69 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 100 | A | 26.8 | Very low | 29.5 | Very low | 72 Ų | 72 | 146.2 Ų | 146.2 | 60% | 0.595 | 77% | 0.77 | S | S | * | * | trans | -74.4 | 167.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 101 | L | 27.6 | Very low | 29.8 | Very low | 151 Ų | 151 | 146.2 Ų | 146.2 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | cis | -122.8 | 157.2 | 21.6 | -85.4 | 68.9 | 0 | 0 | 0 | 111.9 | ||||
| 102 | K | 28.7 | Very low | 30.3 | Very low | 168 Ų | 168 | 147.4 Ų | 147.4 | 73% | 0.73 | 78% | 0.775 | S | S | * | * | cis | 92 | 158 | 23.4 | -164.5 | -174.2 | -176.6 | 178.2 | 0 | 114.6 | ||||
| 103 | V | 29.4 | Very low | 30.7 | Very low | 114 Ų | 114 | 154.4 Ų | 154.4 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | trans | 79 | 114.2 | 174.9 | -173.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 104 | D | 28 | Very low | 30.8 | Very low | 97 Ų | 97 | 150 Ų | 150 | 52% | 0.519 | 79% | 0.786 | S | S | . | * | cis | -153.5 | -173.6 | -15.3 | -129.7 | 72.6 | 0 | 0 | 0 | 104.5 | R107 | D104-R107 IonicContact OD1-NH1 3.89Å; D104-R107 PolarHBondContact OD1-NH1 2.82Å; D104-R107 IonicContact OD2-CZ 3.69Å; D104-R107 IonicContact OD2-NH1 3.93Å; D104-R107 PolarHBondContact OD2-NH1 3.04Å | ||
| 105 | A | 30.4 | Very low | 31 | Very low | 82 Ų | 82 | 147.8 Ų | 147.8 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | cis | -143.2 | 150 | 11.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 106 | Q | 29.9 | Very low | 31.5 | Very low | 167 Ų | 167 | 146.2 Ų | 146.2 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | trans | -154.6 | 78.9 | 161.1 | 178.5 | 61.9 | 2.9 | 0 | 0 | 107.5 | ||||
| 107 | R | 29 | Very low | 32 | Very low | 171 Ų | 171 | 142.8 Ų | 142.8 | 65% | 0.645 | 78% | 0.784 | S | S | * | * | trans | -140 | 134.1 | 169.4 | -61.3 | 176.3 | 171.4 | 108.5 | -12.9 | 104 | D104 | D104-R107 IonicContact OD1-NH1 3.89Å; D104-R107 PolarHBondContact OD1-NH1 2.82Å; D104-R107 IonicContact OD2-CZ 3.69Å; D104-R107 IonicContact OD2-NH1 3.93Å; D104-R107 PolarHBondContact OD2-NH1 3.04Å | ||
| 108 | D | 30.9 | Very low | 32.9 | Very low | 152 Ų | 152 | 140.1 Ų | 140.1 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | cis | -130.9 | 127.4 | 32.2 | -59.2 | -58.8 | 0 | 0 | 0 | 114.2 | ||||
| 109 | I | 36.4 | Very low | 33.8 | Very low | 152 Ų | 152 | 135 Ų | 135 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | trans | -138 | 68.9 | 160.8 | -50.3 | -180 | 0 | 0 | 0 | 108.7 | ||||
| 110 | L | 35.7 | Very low | 34.1 | Very low | 172 Ų | 172 | 136.3 Ų | 136.3 | 90% | 0.901 | 78% | 0.779 | S | S | * | * | trans | -154.3 | 49.5 | 175.3 | -126.3 | 168.9 | 0 | 0 | 0 | 113.6 | ||||
| 111 | A | 35.6 | Very low | 34.9 | Very low | 99 Ų | 99 | 143.2 Ų | 143.2 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -133.2 | 48.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 112 | H | 39.6 | Very low | 35.5 | Very low | 198 Ų | 198 | 144.8 Ų | 144.8 | 92% | 0.917 | 79% | 0.786 | S | S | * | * | trans | -107.1 | 99.1 | 168.2 | -82.2 | -35.4 | 0 | 0 | 0 | 111.7 | ||||
| 113 | R | 36.6 | Very low | 36.4 | Very low | 257 Ų | 257 | 142.8 Ų | 142.8 | 97% | 0.97 | 79% | 0.791 | S | S | * | * | trans | -157.8 | 132.1 | 158 | -128.9 | -179.4 | -174.7 | -161.3 | 1 | 111.8 | ||||
| 114 | G | 30.1 | Very low | 37.3 | Very low | 79 Ų | 79 | 144 Ų | 144 | 81% | 0.814 | 80% | 0.798 | S | S | * | * | trans | 103.6 | 69.2 | 160.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 115 | S | 34.2 | Very low | 38.2 | Very low | 109 Ų | 109 | 142.5 Ų | 142.5 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | -178.1 | 135.7 | 111.6 | -167.5 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 116 | L | 40.2 | Very low | 39.4 | Very low | 175 Ų | 175 | 143.8 Ų | 143.8 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | trans | -110.8 | 88.1 | 173.1 | -74.8 | 170.6 | 0 | 0 | 0 | 109.2 | ||||
| 117 | S | 39.3 | Very low | 40.2 | Very low | 110 Ų | 110 | 140.7 Ų | 140.7 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | -86 | 123.6 | 163.2 | 42.8 | 0 | 0 | 0 | 0 | 109.7 | G119 | S117-G119 PolarHBondContact O-N 2.98Š| ||
| 118 | V | 47.2 | Very low | 41.3 | Very low | 156 Ų | 156 | 138.1 Ų | 138.1 | 95% | 0.945 | 80% | 0.8 | S | S | * | * | trans | -71.6 | 122.7 | 176.8 | 177.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 119 | G | 45.6 | Very low | 42.3 | Very low | 76 Ų | 76 | 136.1 Ų | 136.1 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | trans | 167.3 | 7.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | S117 | S117-G119 PolarHBondContact O-N 2.98Š| ||
| 120 | S | 35.8 | Very low | 43.1 | Very low | 105 Ų | 105 | 131.9 Ų | 131.9 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | trans | -156.6 | 123.4 | 166.2 | -167.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 121 | W | 43.5 | Very low | 43.5 | Very low | 218 Ų | 218 | 130.2 Ų | 130.2 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | trans | -98 | 147.4 | 160.7 | -82.5 | -8.3 | 0 | 0 | 0 | 108.8 | ||||
| 122 | Y | 40 | Very low | 44.1 | Very low | 183 Ų | 183 | 134 Ų | 134 | 72% | 0.718 | 77% | 0.773 | S | S | * | * | S | Bend | trans | 67.4 | 97.2 | -178.5 | -34.2 | -65.7 | 0 | 0 | 0 | 114.1 | V124 | Y122-V124 PolarHBondContact O-N 3.44Å; Y122-V124 VanDerWaalsContact O-N 3.11Å |
| 123 | P | 46.3 | Very low | 44 | Very low | 127 Ų | 127 | 128.6 Ų | 128.6 | 83% | 0.825 | 76% | 0.757 | S | S | * | * | trans | -65.2 | 112.4 | 160.7 | 28.3 | -31.6 | 0 | 0 | 0 | 108.5 | G125 | P123-G125 PolarHBondContact O-N 2.78Š| ||
| 124 | V | 50.1 | Low | 44.3 | Very low | 140 Ų | 140 | 125 Ų | 125 | 85% | 0.848 | 75% | 0.753 | S | S | * | * | trans | -56.9 | 130.1 | 164.7 | 175.3 | 0 | 0 | 0 | 0 | 107.5 | Y122 S126 | Y122-V124 PolarHBondContact O-N 3.44Å; Y122-V124 VanDerWaalsContact O-N 3.11Å; V124-S126 PolarHBondContact O-N 2.81Å | ||
| 125 | G | 46.1 | Very low | 44.6 | Very low | 64 Ų | 64 | 126.1 Ų | 126.1 | 66% | 0.66 | 75% | 0.745 | S | S | * | * | trans | -52.1 | 120.7 | -166.5 | 0 | 0 | 0 | 0 | 0 | 113 | P123 V127 | P123-G125 PolarHBondContact O-N 2.78Å; G125-V127 PolarHBondContact O-N 2.87Å; G125-V127 VanDerWaalsContact O-N 3.14Å | ||
| 126 | S | 55.8 | Low | 44.8 | Very low | 109 Ų | 109 | 126 Ų | 126 | 76% | 0.762 | 74% | 0.742 | S | S | * | * | trans | -61.9 | 115.3 | 177.8 | 53.7 | 0 | 0 | 0 | 0 | 110.1 | V124 L128 | V124-S126 PolarHBondContact O-N 2.81Å; S126-L128 PolarHBondContact O-N 2.76Å; S126-L128 VanDerWaalsContact O-N 3.07Å | ||
| 127 | V | 46.9 | Very low | 45.1 | Very low | 103 Ų | 103 | 126.3 Ų | 126.3 | 62% | 0.624 | 74% | 0.743 | S | S | * | * | trans | -60 | 114.5 | 175.4 | 177.9 | 0 | 0 | 0 | 0 | 108.5 | G125 T129 Y132 | G125-V127 PolarHBondContact O-N 2.87Å; G125-V127 VanDerWaalsContact O-N 3.14Å; V127-T129 PolarHBondContact O-N 3.04Å; V127-Y132 HydrophobicContact CG1-CD2 3.6Å; V127-Y132 HydrophobicContact CG1-CE2 3.8Å | ||
| 128 | L | 50.6 | Low | 45 | Very low | 116 Ų | 116 | 126.1 Ų | 126.1 | 61% | 0.607 | 74% | 0.741 | S | S | * | * | trans | -67.5 | 97.4 | 171.9 | -76.4 | 168.5 | 0 | 0 | 0 | 108.4 | S126 G130 L131 | S126-L128 PolarHBondContact O-N 2.76Å; S126-L128 VanDerWaalsContact O-N 3.07Å; L128-G130 PolarHBondContact O-N 3.41Å; L128-G130 VanDerWaalsContact O-N 3.1Å; L128-L131 HydrophobicContact CB-CB 4.43Å; L128-L131 HydrophobicContact CB-CD1 3.98Å; L128-L131 HydrophobicContact CB-CG 3.94Å; L128-L131 HydrophobicContact CD1-CD1 3.91Å; L128-L131 HydrophobicContact CD1-CG 4.42Å; L128-L131 WeakPolarHBondContact O-CB 3.1Å; L128-L131 PolarHBondContact O-N 3.06Å | ||
| 129 | T | 53.7 | Low | 44.6 | Very low | 111 Ų | 111 | 126 Ų | 126 | 68% | 0.681 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -58.1 | -22.1 | 177.1 | 28.8 | 0 | 0 | 0 | 0 | 113.1 | V127 L131 Y132 S133 | V127-T129 PolarHBondContact O-N 3.04Å; T129-L131 VanDerWaalsContact C-N 3.29Å; T129-L131 PolarHBondContact O-N 3.15Å; T129-Y132 CarbonylContact O-C 3.25Å; T129-Y132 PolarHBondContact O-N 3.42Å; T129-S133 PolarHBondContact O-N 3.49Å; T129-S133 PolarHBondContact O-OG 2.85Å |
| 130 | G | 51.7 | Low | 44.7 | Very low | 63 Ų | 63 | 127.9 Ų | 127.9 | 65% | 0.649 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -64.4 | -27 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L128 | L128-G130 PolarHBondContact O-N 3.41Å; L128-G130 VanDerWaalsContact O-N 3.1Å |
| 131 | L | 44.4 | Very low | 45.1 | Very low | 136 Ų | 136 | 128.2 Ų | 128.2 | 71% | 0.712 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -84.5 | -11.4 | 174.5 | -60.2 | -179.8 | 0 | 0 | 0 | 113.2 | L128 T129 | L128-L131 HydrophobicContact CB-CB 4.43Å; L128-L131 HydrophobicContact CB-CD1 3.98Å; L128-L131 HydrophobicContact CB-CG 3.94Å; L128-L131 HydrophobicContact CD1-CD1 3.91Å; L128-L131 HydrophobicContact CD1-CG 4.42Å; L128-L131 WeakPolarHBondContact O-CB 3.1Å; L128-L131 PolarHBondContact O-N 3.06Å; T129-L131 VanDerWaalsContact C-N 3.29Å; T129-L131 PolarHBondContact O-N 3.15Å |
| 132 | Y | 48.5 | Very low | 45 | Very low | 180 Ų | 180 | 121 Ų | 121 | 71% | 0.706 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -118.8 | 17.3 | 178 | -69.3 | -83.2 | 0 | 0 | 0 | 112.5 | V127 T129 M134 | V127-Y132 HydrophobicContact CG1-CD2 3.6Å; V127-Y132 HydrophobicContact CG1-CE2 3.8Å; T129-Y132 CarbonylContact O-C 3.25Å; T129-Y132 PolarHBondContact O-N 3.42Å; Y132-M134 PolarHBondContact O-N 2.86Å; Y132-M134 VanDerWaalsContact O-N 3.16Å |
| 133 | S | 38.6 | Very low | 45.4 | Very low | 84 Ų | 84 | 114 Ų | 114 | 59% | 0.587 | 69% | 0.688 | S | S | * | * | trans | -72.2 | 106.7 | 173.8 | -68.7 | 0 | 0 | 0 | 0 | 108.9 | T129 T135 | T129-S133 PolarHBondContact O-N 3.49Å; T129-S133 PolarHBondContact O-OG 2.85Å; S133-T135 PolarHBondContact O-N 3.4Å | ||
| 134 | M | 41.9 | Very low | 45.6 | Very low | 180 Ų | 180 | 112.2 Ų | 112.2 | 89% | 0.887 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 120.7 | 168.5 | -74.5 | -167.4 | 75 | 0 | 0 | 109 | Y132 | Y132-M134 PolarHBondContact O-N 2.86Å; Y132-M134 VanDerWaalsContact O-N 3.16Å |
| 135 | T | 36.4 | Very low | 45.2 | Very low | 103 Ų | 103 | 114.5 Ų | 114.5 | 63% | 0.632 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 131.3 | 171.1 | -46.5 | 0 | 0 | 0 | 0 | 109.3 | S133 L137 | S133-T135 PolarHBondContact O-N 3.4Å; T135-L137 PolarHBondContact O-N 2.81Å |
| 136 | P | 38.2 | Very low | 45.3 | Very low | 108 Ų | 108 | 115.3 Ų | 115.3 | 70% | 0.701 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 133.7 | 174.5 | -27.2 | 35.6 | 0 | 0 | 0 | 111 | S138 | P136-S138 PolarHBondContact O-N 3.41Š|
| 137 | L | 47.5 | Very low | 45.8 | Very low | 181 Ų | 181 | 114.9 Ų | 114.9 | 95% | 0.948 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | 69 | -172.7 | -159.1 | 161 | 0 | 0 | 0 | 110.4 | T135 | T135-L137 PolarHBondContact O-N 2.81Š|
| 138 | S | 37.3 | Very low | 47.2 | Very low | 105 Ų | 105 | 111.7 Ų | 111.7 | 73% | 0.734 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -155.9 | 2.2 | -174.3 | -148.3 | 0 | 0 | 0 | 0 | 116 | P136 V140 | P136-S138 PolarHBondContact O-N 3.41Å; S138-V140 PolarHBondContact O-N 2.86Å |
| 139 | E | 37 | Very low | 49 | Very low | 153 Ų | 153 | 106.8 Ų | 106.8 | 72% | 0.715 | 64% | 0.637 | S | S | * | * | trans | -80.5 | 113.4 | 162.5 | -72.7 | -162.7 | 134.2 | 0 | 0 | 109.6 | V141 | E139-V141 HydrophobicContact CB-CG2 4.2Å; E139-V141 PolarHBondContact O-N 2.87Å | ||
| 140 | V | 49.3 | Very low | 50.8 | Low | 116 Ų | 116 | 105.7 Ų | 105.7 | 70% | 0.703 | 62% | 0.621 | S | S | * | * | trans | -78.4 | 69.3 | 175.3 | -172.5 | 0 | 0 | 0 | 0 | 109.1 | S138 A142 | S138-V140 PolarHBondContact O-N 2.86Å; V140-A142 PolarHBondContact O-N 2.79Å; V140-A142 VanDerWaalsContact O-N 3.11Å | ||
| 141 | V | 43.3 | Very low | 52.9 | Low | 113 Ų | 113 | 102.7 Ų | 102.7 | 69% | 0.685 | 59% | 0.59 | S | S | * | * | trans | -66.8 | 106.8 | 168.5 | -177.6 | 0 | 0 | 0 | 0 | 107.2 | E139 | E139-V141 HydrophobicContact CB-CG2 4.2Å; E139-V141 PolarHBondContact O-N 2.87Å | ||
| 142 | A | 41.9 | Very low | 55.2 | Low | 66 Ų | 66 | 96.5 Ų | 96.5 | 55% | 0.545 | 56% | 0.558 | S | S | . | * | P | Polyproline II helix | trans | -58.6 | 132.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109 | V140 | V140-A142 PolarHBondContact O-N 2.79Å; V140-A142 VanDerWaalsContact O-N 3.11Å |
| 143 | P | 48 | Very low | 57.4 | Low | 37 Ų | 37 | 88 Ų | 88 | 24% | 0.24 | 52% | 0.524 | C | S | . | . | P | Polyproline II helix | trans | -52.8 | 140 | 178 | -27.4 | 34.3 | 0 | 0 | 0 | 111.2 | L145 M147 N173 | P143-L145 PolarHBondContact O-N 3.05Å; P143-M147 HydrophobicContact CB-CB 4.14Å; P143-N173 HydrophobicContact CB-CB 4.29Å; P143-N173 HydrophobicContact CG-CB 4.03Å; P143-N173 WeakPolarHBondContact CG-OD1 3.45Å |
| 144 | P | 49.7 | Very low | 60.1 | Low | 88 Ų | 88 | 84.7 Ų | 84.7 | 57% | 0.571 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 138.4 | -176.6 | 21 | -31.2 | 0 | 0 | 0 | 111.1 | G146 M147 | P144-G146 PolarHBondContact O-N 3.28Å; P144-M147 HydrophobicContact CG-CE 4.31Å; P144-M147 HydrophobicContact CG-CG 3.87Å; P144-M147 WeakPolarHBondContact O-CG 3.45Å; P144-M147 PolarHBondContact O-N 2.91Å |
| 145 | L | 42.4 | Very low | 62.5 | Low | 189 Ų | 189 | 76.3 Ų | 76.3 | 99% | 0.99 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.4 | 111.6 | -174.9 | -79.1 | 143.5 | 0 | 0 | 0 | 111.3 | P143 | P143-L145 PolarHBondContact O-N 3.05Š|
| 146 | G | 49.2 | Very low | 65.1 | Low | 80 Ų | 80 | 74.4 Ų | 74.4 | 83% | 0.825 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 120.7 | -13.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | P144 A148 | P144-G146 PolarHBondContact O-N 3.28Å; G146-A148 PolarHBondContact O-N 2.89Å |
| 147 | M | 66.1 | Low | 67.7 | Low | 100 Ų | 100 | 70 Ų | 70 | 49% | 0.493 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -73.4 | 116.5 | 175.3 | -67.7 | -63.4 | 166.3 | 0 | 0 | 111.8 | P143 P144 | P143-M147 HydrophobicContact CB-CB 4.14Å; P144-M147 HydrophobicContact CG-CE 4.31Å; P144-M147 HydrophobicContact CG-CG 3.87Å; P144-M147 WeakPolarHBondContact O-CG 3.45Å; P144-M147 PolarHBondContact O-N 2.91Å |
| 148 | A | 76.4 | Confident | 69.7 | Low | 37 Ų | 37 | 66.1 Ų | 66.1 | 31% | 0.306 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 152.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | G146 R150 N173 D265 | G146-A148 PolarHBondContact O-N 2.89Å; A148-R150 WeakPolarHBondContact O-CG 3.47Å; A148-N173 WeakPolarHBondContact O-CB 3.48Å; A148-N173 PolarHBondContact O-ND2 2.9Å; A148-D265 HydrophobicContact CB-CB 4.16Å |
| 149 | T | 88.1 | Confident | 72.2 | Confident | 12 Ų | 12 | 66.9 Ų | 66.9 | 7% | 0.074 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 131.2 | 167 | -47.5 | 0 | 0 | 0 | 0 | 109.3 | L171 S172 N173 L174 L266 | T149-L171 HydrophobicContact CG2-CD1 4.07Å; T149-L171 HydrophobicContact CG2-CD2 3.71Å; T149-L171 HydrophobicContact CG2-CG 3.8Å; T149-S172 CarbonylContact C-O 3.45Å; T149-S172 WeakPolarHBondContact CA-O 3.22Å; T149-N173 PolarHBondContact OG1-O 2.84Å; T149-L174 HydrophobicContact CG2-CD1 4.37Å; T149-L266 HydrophobicContact CG2-CD1 3.59Å; T149-L266 HydrophobicContact CG2-CG 4.19Å; T149-L266 PolarHBondContact O-N 2.84Å |
| 150 | R | 91.5 | Very high | 74.7 | Confident | 88 Ų | 88 | 65.4 Ų | 65.4 | 33% | 0.332 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 138.2 | -176.2 | -57.3 | -170.6 | 147.8 | 142 | 8.8 | 112.2 | A148 L171 S172 W263 R264 D265 | A148-R150 WeakPolarHBondContact O-CG 3.47Å; R150-L171 CarbonylContact O-C 3.41Å; R150-L171 WeakPolarHBondContact O-CA 3.43Å; R150-L171 WeakPolarHBondContact O-CD1 3.46Å; R150-S172 PolarHBondContact N-O 2.81Å; R150-S172 PolarHBondContact O-N 3.31Å; R150-W263 HydrophobicContact CB-CE3 3.75Å; R150-W263 HydrophobicContact CB-CZ3 4.05Å; R150-R264 CarbonylContact C-O 3.54Å; R150-R264 WeakPolarHBondContact CA-O 3.46Å; R150-D265 IonicContact CZ-OD1 2.71Å; R150-D265 IonicContact CZ-OD2 3.68Å; R150-D265 VanDerWaalsContact NE-CG 3.31Å; R150-D265 IonicContact NE-OD1 3.93Å; R150-D265 PolarHBondContact NE-OD1 2.14Å; R150-D265 IonicContact NE-OD2 2.7Å; R150-D265 PolarHBondContact NE-OD2 2.52Å; R150-D265 IonicContact NH2-OD1 3.4Å; R150-D265 PolarHBondContact NH2-OD1 3.42Å; R150-D265 IonicContact NH2-OD2 3.5Å; R150-D265 PolarHBondContact NH2-OD2 3.12Å |
| 151 | L | 94.4 | Very high | 76.7 | Confident | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.005 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 130.3 | 172.3 | -174.3 | 65.4 | 0 | 0 | 0 | 110.7 | F153 L171 V185 L230 M232 V247 W263 R264 L266 | L151-F153 HydrophobicContact CB-CD1 4.46Å; L151-F153 HydrophobicContact CD2-CD1 4.06Å; L151-F153 HydrophobicContact CD2-CE1 4.47Å; L151-F153 HydrophobicContact CG-CD1 3.96Å; L151-L171 HydrophobicContact CB-CD1 4.11Å; L151-L171 HydrophobicContact CD1-CD1 3.83Å; L151-V185 HydrophobicContact CD1-CG2 4.48Å; L151-L230 HydrophobicContact CD2-CB 4.01Å; L151-L230 HydrophobicContact CD2-CD2 4.01Å; L151-M232 HydrophobicContact CD1-SD 4.33Å; L151-V247 HydrophobicContact CB-CG2 4.34Å; L151-V247 HydrophobicContact CD2-CG2 4.27Å; L151-W263 WeakPolarHBondContact O-CA 3.08Å; L151-R264 PolarHBondContact N-O 2.9Å; L151-R264 PolarHBondContact O-N 3.22Å; L151-L266 HydrophobicContact CB-CD2 4.18Å |
| 152 | C | 94.1 | Very high | 79.1 | Confident | 6 Ų | 6 | 59.5 Ų | 59.5 | 4% | 0.041 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 118.3 | 173.6 | -173.1 | 0 | 0 | 0 | 0 | 109.7 | L169 R170 V261 L262 W263 | C152-L169 HydrophobicContact CB-CB 4.3Å; C152-L169 PolarHBondContact O-N 3.17Å; C152-R170 WeakPolarHBondContact CA-O 3.12Å; C152-R170 HydrophobicContact CB-CG 3.81Å; C152-R170 WeakPolarHBondContact CB-O 3.2Å; C152-R170 PolarHBondContact N-O 3.12Å; C152-R170 PolarHBondContact O-N 3.44Å; C152-V261 WeakPolarHBondContact SG-CG1 3.18Å; C152-L262 WeakPolarHBondContact CA-O 3.46Å; C152-W263 HydrophobicContact CB-CD2 3.85Å; C152-W263 HydrophobicContact CB-CE3 3.74Å; C152-W263 HydrophobicContact CB-CH2 3.67Å; C152-W263 HydrophobicContact CB-CZ2 3.71Å; C152-W263 HydrophobicContact CB-CZ3 3.66Å |
| 153 | F | 94.9 | Very high | 81.5 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 164.8 | -178.8 | 67 | -76.6 | 0 | 0 | 0 | 111 | L151 V155 S167 L168 L230 V247 F249 L262 R264 | L151-F153 HydrophobicContact CB-CD1 4.46Å; L151-F153 HydrophobicContact CD2-CD1 4.06Å; L151-F153 HydrophobicContact CD2-CE1 4.47Å; L151-F153 HydrophobicContact CG-CD1 3.96Å; F153-V155 HydrophobicContact CD2-CG2 3.83Å; F153-V155 HydrophobicContact CE2-CG2 3.73Å; F153-S167 CarbonylContact C-O 3.6Å; F153-S167 WeakPolarHBondContact CA-O 3.27Å; F153-S167 WeakPolarHBondContact CB-O 3.5Å; F153-L168 HydrophobicContact CB-CD2 3.88Å; F153-L230 HydrophobicContact CD2-CD2 4.19Å; F153-L230 HydrophobicContact CE2-CD1 4.04Å; F153-L230 HydrophobicContact CE2-CD2 4.44Å; F153-L230 HydrophobicContact CG-CD2 4.35Å; F153-L230 HydrophobicContact CZ-CD1 4.05Å; F153-V247 HydrophobicContact CE1-CG1 4.29Å; F153-V247 HydrophobicContact CZ-CG1 4.18Å; F153-F249 HydrophobicContact CE2-CD2 4.29Å; F153-F249 HydrophobicContact CE2-CG 4.36Å; F153-F249 HydrophobicContact CZ-CD2 4.23Å; F153-L262 HydrophobicContact CE2-CD1 4.35Å; F153-L262 PolarHBondContact N-O 3.28Å; F153-L262 WeakPolarHBondContact O-CA 3.19Å; F153-L262 WeakPolarHBondContact O-CB 3.25Å; F153-L262 PolarHBondContact O-N 2.24Å; F153-R264 HydrophobicContact CE1-CB 4.08Å; F153-R264 HydrophobicContact CE1-CG 3.77Å; F153-R264 HydrophobicContact CZ-CG 4.03Å |
| 154 | S | 93.6 | Very high | 83.6 | Confident | 16 Ų | 16 | 56.9 Ų | 56.9 | 11% | 0.112 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 155.4 | 165.7 | 64.4 | 0 | 0 | 0 | 0 | 111 | V166 S167 R260 | S154-V166 WeakPolarHBondContact O-CA 3.45Å; S154-S167 PolarHBondContact N-O 3.03Å; S154-S167 PolarHBondContact O-N 3.13Å; S154-R260 WeakPolarHBondContact CB-O 3.49Å |
| 155 | V | 93.1 | Very high | 85.7 | Confident | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.018 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 137.3 | 174.8 | -174.9 | 0 | 0 | 0 | 0 | 107.8 | F153 L164 V165 V166 L228 F249 L255 A258 G259 | F153-V155 HydrophobicContact CD2-CG2 3.83Å; F153-V155 HydrophobicContact CE2-CG2 3.73Å; V155-L164 HydrophobicContact CG1-CD1 3.57Å; V155-L164 HydrophobicContact CG1-CD2 4.5Å; V155-L164 HydrophobicContact CG1-CG 4.07Å; V155-V165 WeakPolarHBondContact CA-O 3.48Å; V155-V166 HydrophobicContact CG2-CG1 4.46Å; V155-V166 HydrophobicContact CG2-CG2 4.5Å; V155-L228 HydrophobicContact CG2-CD2 4.05Å; V155-F249 HydrophobicContact CB-CE1 3.93Å; V155-F249 HydrophobicContact CB-CZ 4.21Å; V155-F249 HydrophobicContact CG1-CE1 3.96Å; V155-F249 HydrophobicContact CG2-CD1 4.05Å; V155-F249 HydrophobicContact CG2-CE1 3.76Å; V155-F249 HydrophobicContact CG2-CZ 4.14Å; V155-L255 HydrophobicContact CG1-CD1 4.17Å; V155-A258 VanDerWaalsContact O-CA 3.27Å; V155-A258 WeakPolarHBondContact O-CA 3.16Å; V155-G259 PolarHBondContact O-N 2.82Å |
| 156 | E | 91.6 | Very high | 88.2 | Confident | 63 Ų | 63 | 44 Ų | 44 | 29% | 0.294 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 140 | -178.2 | -170.2 | -154.3 | 137.3 | 0 | 0 | 108.2 | R158 L164 V165 | E156-R158 VanDerWaalsContact OE1-CG 3.23Å; E156-R158 WeakPolarHBondContact OE1-CG 3.46Å; E156-R158 IonicContact OE1-CZ 3.46Å; E156-R158 IonicContact OE1-NE 2.8Å; E156-R158 PolarHBondContact OE1-NE 2.95Å; E156-R158 IonicContact OE1-NH2 3.31Å; E156-R158 PolarHBondContact OE1-NH2 3.07Å; E156-R158 IonicContact OE2-CZ 3.72Å; E156-R158 IonicContact OE2-NE 3.21Å; E156-R158 IonicContact OE2-NH2 2.88Å; E156-R158 PolarHBondContact OE2-NH2 3.45Å; E156-L164 CarbonylContact O-C 3.55Å; E156-L164 WeakPolarHBondContact O-CA 3.43Å; E156-V165 HydrophobicContact CB-CB 4.36Å; E156-V165 PolarHBondContact N-O 2.82Å; E156-V165 PolarHBondContact O-N 2.97Å |
| 157 | Y | 91.3 | Very high | 90.3 | Very high | 15 Ų | 15 | 41.2 Ų | 41.2 | 6% | 0.059 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 124 | 171.4 | -175.5 | -104.7 | 0 | 0 | 0 | 111.2 | H159 E162 Q163 L164 I218 N220 I223 | Y157-H159 AromaticContact CD1-CD2 3.82Å; Y157-H159 AromaticContact CD1-CE1 3.6Å; Y157-H159 AromaticContact CD1-CG 3.78Å; Y157-H159 AromaticContact CD1-ND1 3.66Å; Y157-H159 AromaticContact CD1-NE2 3.72Å; Y157-H159 HydrophobicContact CE1-CB 4.3Å; Y157-H159 AromaticContact CE1-CE1 3.84Å; Y157-H159 AromaticContact CE1-CG 3.8Å; Y157-H159 AromaticContact CE1-ND1 3.49Å; Y157-H159 WeakPolarHBondContact CE1-ND1 3.38Å; Y157-H159 PolarHBondContact O-N 2.93Å; Y157-E162 WeakPolarHBondContact OH-CA 3.41Å; Y157-E162 PolarHBondContact OH-OE1 2.79Å; Y157-Q163 WeakPolarHBondContact CA-O 3.34Å; Y157-Q163 WeakPolarHBondContact CD2-O 3.45Å; Y157-L164 HydrophobicContact CD2-CB 4.23Å; Y157-L164 HydrophobicContact CD2-CD1 4.36Å; Y157-I218 HydrophobicContact CD2-CG1 4.46Å; Y157-I218 HydrophobicContact CE2-CG1 3.96Å; Y157-I218 WeakPolarHBondContact CE2-O 3.15Å; Y157-I218 PolarHBondContact OH-O 3.24Å; Y157-N220 HydrophobicContact CE1-CB 4.12Å; Y157-N220 WeakPolarHBondContact OH-CA 3.34Å; Y157-N220 PolarHBondContact OH-N 3.25Å; Y157-I223 HydrophobicContact CD1-CD1 3.7Å; Y157-I223 HydrophobicContact CD2-CD1 3.89Å; Y157-I223 HydrophobicContact CE1-CD1 3.72Å; Y157-I223 HydrophobicContact CE2-CD1 3.92Å; Y157-I223 HydrophobicContact CG-CD1 3.78Å |
| 158 | R | 91.4 | Very high | 91.7 | Very high | 101 Ų | 101 | 36.6 Ų | 36.6 | 38% | 0.381 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 94.3 | 178.9 | -65.7 | -177.7 | -178.3 | 166.2 | 9.3 | 109.2 | E156 S160 S161 E162 Q163 V165 | E156-R158 VanDerWaalsContact OE1-CG 3.23Å; E156-R158 WeakPolarHBondContact OE1-CG 3.46Å; E156-R158 IonicContact OE1-CZ 3.46Å; E156-R158 IonicContact OE1-NE 2.8Å; E156-R158 PolarHBondContact OE1-NE 2.95Å; E156-R158 IonicContact OE1-NH2 3.31Å; E156-R158 PolarHBondContact OE1-NH2 3.07Å; E156-R158 IonicContact OE2-CZ 3.72Å; E156-R158 IonicContact OE2-NE 3.21Å; E156-R158 IonicContact OE2-NH2 2.88Å; E156-R158 PolarHBondContact OE2-NH2 3.45Å; R158-S160 PolarHBondContact O-N 2.76Å; R158-S160 VanDerWaalsContact O-N 3.17Å; R158-S161 WeakPolarHBondContact CB-OG 3.36Å; R158-S161 PolarHBondContact O-N 3.31Å; R158-S161 VanDerWaalsContact O-N 3.11Å; R158-E162 PolarHBondContact O-N 3.31Å; R158-Q163 HydrophobicContact CB-CB 4.42Å; R158-Q163 PolarHBondContact N-O 2.85Å; R158-Q163 PolarHBondContact O-N 3.45Å; R158-V165 HydrophobicContact CG-CG2 4.49Å |
| 159 | H | 88.8 | Confident | 92.5 | Very high | 120 Ų | 120 | 37.5 Ų | 37.5 | 56% | 0.556 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -30.6 | 178.1 | -65.8 | -89.6 | 0 | 0 | 0 | 113.2 | Y157 S161 N220 | Y157-H159 AromaticContact CD1-CD2 3.82Å; Y157-H159 AromaticContact CD1-CE1 3.6Å; Y157-H159 AromaticContact CD1-CG 3.78Å; Y157-H159 AromaticContact CD1-ND1 3.66Å; Y157-H159 AromaticContact CD1-NE2 3.72Å; Y157-H159 HydrophobicContact CE1-CB 4.3Å; Y157-H159 AromaticContact CE1-CE1 3.84Å; Y157-H159 AromaticContact CE1-CG 3.8Å; Y157-H159 AromaticContact CE1-ND1 3.49Å; Y157-H159 WeakPolarHBondContact CE1-ND1 3.38Å; Y157-H159 PolarHBondContact O-N 2.93Å; H159-S161 VanDerWaalsContact C-N 3.35Å; H159-S161 PolarHBondContact O-N 3.49Å; H159-N220 PolarHBondContact ND1-ND2 3.11Å |
| 160 | S | 90.6 | Very high | 92.8 | Very high | 123 Ų | 123 | 41.9 Ų | 41.9 | 86% | 0.86 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -18.4 | 179.5 | 51.7 | 0 | 0 | 0 | 0 | 114.9 | R158 | R158-S160 PolarHBondContact O-N 2.76Å; R158-S160 VanDerWaalsContact O-N 3.17Å |
| 161 | S | 91.2 | Very high | 92.9 | Very high | 42 Ų | 42 | 37.7 Ų | 37.7 | 29% | 0.294 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -127.5 | 6.5 | -179.6 | 62.8 | 0 | 0 | 0 | 0 | 114.1 | R158 H159 Q163 Q217 | R158-S161 WeakPolarHBondContact CB-OG 3.36Å; R158-S161 PolarHBondContact O-N 3.31Å; R158-S161 VanDerWaalsContact O-N 3.11Å; H159-S161 VanDerWaalsContact C-N 3.35Å; H159-S161 PolarHBondContact O-N 3.49Å; S161-Q163 WeakPolarHBondContact O-CG 3.22Å; S161-Q163 PolarHBondContact O-N 3.26Å; S161-Q163 PolarHBondContact OG-OE1 2.98Å; S161-Q217 PolarHBondContact O-NE2 2.9Å |
| 162 | E | 91.8 | Very high | 92.7 | Very high | 62 Ų | 62 | 38.6 Ų | 38.6 | 29% | 0.29 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | 48.3 | -175.9 | -61.6 | -131.6 | 111.7 | 0 | 0 | 113.9 | Y157 R158 Q217 I218 T219 N220 | Y157-E162 WeakPolarHBondContact OH-CA 3.41Å; Y157-E162 PolarHBondContact OH-OE1 2.79Å; R158-E162 PolarHBondContact O-N 3.31Å; E162-Q217 PolarHBondContact O-NE2 3.22Å; E162-Q217 VanDerWaalsContact O-NE2 3.08Å; E162-I218 CarbonylContact C-O 3.57Å; E162-I218 PolarHBondContact O-N 3.35Å; E162-T219 VanDerWaalsContact CD-CA 3.48Å; E162-T219 VanDerWaalsContact OE1-CA 3.31Å; E162-T219 WeakPolarHBondContact OE1-CA 3.43Å; E162-T219 WeakPolarHBondContact OE1-CG2 3.44Å; E162-T219 VanDerWaalsContact OE2-CA 3.28Å; E162-T219 WeakPolarHBondContact OE2-CA 3.44Å; E162-T219 VanDerWaalsContact OE2-CB 3.22Å; E162-T219 WeakPolarHBondContact OE2-CB 3.48Å; E162-T219 WeakPolarHBondContact OE2-CG2 3.37Å; E162-T219 PolarHBondContact OE2-OG1 3.34Å; E162-N220 PolarHBondContact OE1-N 2.93Å |
| 163 | Q | 92.6 | Very high | 92.4 | Very high | 49 Ų | 49 | 39.8 Ų | 39.8 | 23% | 0.229 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 121.8 | -170.5 | -81.3 | 165.1 | -1.8 | 0 | 0 | 113.1 | Y157 R158 S161 I215 F216 | Y157-Q163 WeakPolarHBondContact CA-O 3.34Å; Y157-Q163 WeakPolarHBondContact CD2-O 3.45Å; R158-Q163 HydrophobicContact CB-CB 4.42Å; R158-Q163 PolarHBondContact N-O 2.85Å; R158-Q163 PolarHBondContact O-N 3.45Å; S161-Q163 WeakPolarHBondContact O-CG 3.22Å; S161-Q163 PolarHBondContact O-N 3.26Å; S161-Q163 PolarHBondContact OG-OE1 2.98Å; Q163-I215 HydrophobicContact CB-CG2 3.75Å; Q163-I215 HydrophobicContact CG-CG2 3.6Å; Q163-F216 WeakPolarHBondContact CA-O 3.46Å |
| 164 | L | 92.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 109.3 | 165.2 | -171.7 | 81 | 0 | 0 | 0 | 109.1 | V155 E156 Y157 V166 L189 I215 F216 I218 L251 L255 | V155-L164 HydrophobicContact CG1-CD1 3.57Å; V155-L164 HydrophobicContact CG1-CD2 4.5Å; V155-L164 HydrophobicContact CG1-CG 4.07Å; E156-L164 CarbonylContact O-C 3.55Å; E156-L164 WeakPolarHBondContact O-CA 3.43Å; Y157-L164 HydrophobicContact CD2-CB 4.23Å; Y157-L164 HydrophobicContact CD2-CD1 4.36Å; L164-V166 HydrophobicContact CD2-CG2 4.34Å; L164-V166 HydrophobicContact CG-CG2 4.47Å; L164-L189 HydrophobicContact CD2-CD2 3.94Å; L164-I215 CarbonylContact O-C 3.39Å; L164-I215 WeakPolarHBondContact O-CA 3.49Å; L164-F216 HydrophobicContact CB-CB 4.35Å; L164-F216 PolarHBondContact N-O 3.13Å; L164-F216 PolarHBondContact O-N 3.21Å; L164-I218 HydrophobicContact CB-CD1 3.82Å; L164-I218 HydrophobicContact CB-CG1 4.03Å; L164-I218 HydrophobicContact CD1-CD1 4.5Å; L164-I218 HydrophobicContact CD2-CD1 4.12Å; L164-I218 HydrophobicContact CG-CD1 4.38Å; L164-L251 HydrophobicContact CD1-CD1 4.29Å; L164-L251 HydrophobicContact CD1-CD2 4.17Å; L164-L251 HydrophobicContact CD2-CD1 3.74Å; L164-L251 HydrophobicContact CD2-CD2 3.92Å; L164-L255 HydrophobicContact CD1-CD1 3.74Å |
| 165 | V | 93.6 | Very high | 91.7 | Very high | 5 Ų | 5 | 42.2 Ų | 42.2 | 3% | 0.03 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 128.3 | 174.6 | -173.2 | 0 | 0 | 0 | 0 | 108.6 | V155 E156 R158 I215 | V155-V165 WeakPolarHBondContact CA-O 3.48Å; E156-V165 HydrophobicContact CB-CB 4.36Å; E156-V165 PolarHBondContact N-O 2.82Å; E156-V165 PolarHBondContact O-N 2.97Å; R158-V165 HydrophobicContact CG-CG2 4.49Å; V165-I215 HydrophobicContact CG1-CG1 4.38Å; V165-I215 HydrophobicContact CG2-CG1 4.25Å; V165-I215 HydrophobicContact CG2-CG2 4.41Å |
| 166 | V | 94.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 117.6 | 174.2 | -175.5 | 0 | 0 | 0 | 0 | 108.4 | S154 V155 L164 L187 C213 L214 F216 L228 L230 | S154-V166 WeakPolarHBondContact O-CA 3.45Å; V155-V166 HydrophobicContact CG2-CG1 4.46Å; V155-V166 HydrophobicContact CG2-CG2 4.5Å; L164-V166 HydrophobicContact CD2-CG2 4.34Å; L164-V166 HydrophobicContact CG-CG2 4.47Å; V166-L187 HydrophobicContact CB-CD2 4.19Å; V166-L187 HydrophobicContact CG1-CD2 3.76Å; V166-C213 WeakPolarHBondContact O-CA 3.22Å; V166-L214 PolarHBondContact N-O 3.46Å; V166-L214 PolarHBondContact O-N 2.87Å; V166-F216 HydrophobicContact CG2-CD2 4.27Å; V166-F216 HydrophobicContact CG2-CE2 4.2Å; V166-L228 HydrophobicContact CB-CD2 4.46Å; V166-L228 HydrophobicContact CG1-CD2 4Å; V166-L228 HydrophobicContact CG2-CD1 4.35Å; V166-L228 HydrophobicContact CG2-CD2 3.57Å; V166-L230 HydrophobicContact CG1-CD2 4.27Å |
| 167 | S | 94.9 | Very high | 90.7 | Very high | 23 Ų | 23 | 50.5 Ų | 50.5 | 16% | 0.161 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 118 | -179.8 | -54.9 | 0 | 0 | 0 | 0 | 109.6 | F153 S154 | F153-S167 CarbonylContact C-O 3.6Å; F153-S167 WeakPolarHBondContact CA-O 3.27Å; F153-S167 WeakPolarHBondContact CB-O 3.5Å; S154-S167 PolarHBondContact N-O 3.03Å; S154-S167 PolarHBondContact O-N 3.13Å |
| 168 | L | 95.5 | Very high | 90.4 | Very high | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 135.6 | 174.7 | -63.8 | 178.1 | 0 | 0 | 0 | 110 | F153 V185 L187 A199 F210 D212 L214 L230 | F153-L168 HydrophobicContact CB-CD2 3.88Å; L168-V185 HydrophobicContact CD1-CB 3.82Å; L168-V185 HydrophobicContact CD1-CG1 3.95Å; L168-V185 HydrophobicContact CD1-CG2 4.09Å; L168-L187 HydrophobicContact CD1-CD1 4.14Å; L168-A199 HydrophobicContact CD1-CB 3.62Å; L168-F210 HydrophobicContact CB-CB 3.51Å; L168-F210 HydrophobicContact CB-CD1 4.49Å; L168-F210 HydrophobicContact CB-CG 3.99Å; L168-F210 HydrophobicContact CD1-CD1 4.32Å; L168-F210 CarbonylContact O-C 3.51Å; L168-F210 VanDerWaalsContact O-C 3.3Å; L168-F210 VanDerWaalsContact O-O 3.08Å; L168-D212 PolarHBondContact N-O 3.13Å; L168-L214 HydrophobicContact CD1-CD1 3.97Å; L168-L214 HydrophobicContact CG-CD1 4.15Å; L168-L230 HydrophobicContact CD2-CD2 3.81Å |
| 169 | L | 93.3 | Very high | 90.2 | Very high | 56 Ų | 56 | 47.1 Ų | 47.1 | 29% | 0.293 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | -51.9 | -170.6 | -62.3 | 165.4 | 0 | 0 | 0 | 113 | C152 F210 V261 | C152-L169 HydrophobicContact CB-CB 4.3Å; C152-L169 PolarHBondContact O-N 3.17Å; L169-F210 CarbonylContact C-O 3.49Å; L169-F210 VanDerWaalsContact C-O 3.32Å; L169-F210 WeakPolarHBondContact CA-O 3.4Å; L169-F210 CarbonylContact O-C 3.38Å; L169-F210 PolarHBondContact O-N 3.37Å; L169-V261 HydrophobicContact CD1-CB 4.36Å; L169-V261 HydrophobicContact CD1-CG1 3.76Å; L169-V261 HydrophobicContact CD1-CG2 3.83Å |
| 170 | R | 93.6 | Very high | 90.1 | Very high | 105 Ų | 105 | 45 Ų | 45 | 40% | 0.396 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.9 | 163.3 | 172.6 | 59.6 | -173.2 | -171.1 | 179 | 10.4 | 112.5 | C152 E209 W263 | C152-R170 WeakPolarHBondContact CA-O 3.12Å; C152-R170 HydrophobicContact CB-CG 3.81Å; C152-R170 WeakPolarHBondContact CB-O 3.2Å; C152-R170 PolarHBondContact N-O 3.12Å; C152-R170 PolarHBondContact O-N 3.44Å; R170-E209 HydrophobicContact CB-CB 4.44Å; R170-E209 HydrophobicContact CB-CG 4.21Å; R170-W263 HydrophobicContact CG-CH2 3.94Å; R170-W263 HydrophobicContact CG-CZ2 4.47Å |
| 171 | L | 93.4 | Very high | 90 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 164.7 | 157.8 | -153.5 | 70.6 | 0 | 0 | 0 | 109.6 | T149 R150 L151 L174 D207 P208 M232 L266 | T149-L171 HydrophobicContact CG2-CD1 4.07Å; T149-L171 HydrophobicContact CG2-CD2 3.71Å; T149-L171 HydrophobicContact CG2-CG 3.8Å; R150-L171 CarbonylContact O-C 3.41Å; R150-L171 WeakPolarHBondContact O-CA 3.43Å; R150-L171 WeakPolarHBondContact O-CD1 3.46Å; L151-L171 HydrophobicContact CB-CD1 4.11Å; L151-L171 HydrophobicContact CD1-CD1 3.83Å; L171-L174 HydrophobicContact CD2-CB 4.06Å; L171-L174 HydrophobicContact CD2-CD1 3.8Å; L171-L174 HydrophobicContact CD2-CD2 4.4Å; L171-L174 HydrophobicContact CD2-CG 4.29Å; L171-D207 WeakPolarHBondContact O-CA 3.39Å; L171-P208 HydrophobicContact CB-CG 3.86Å; L171-P208 HydrophobicContact CD2-CG 4.14Å; L171-P208 PolarHBondContact N-O 3.03Å; L171-M232 HydrophobicContact CD1-CE 3.93Å; L171-M232 HydrophobicContact CD1-CG 4.36Å; L171-M232 HydrophobicContact CD1-SD 3.56Å; L171-M232 VanDerWaalsContact CD1-SD 3.56Å; L171-M232 HydrophobicContact CD2-CE 3.82Å; L171-M232 HydrophobicContact CD2-CG 4.49Å; L171-M232 HydrophobicContact CD2-SD 4.3Å; L171-M232 HydrophobicContact CG-CE 4.39Å; L171-L266 HydrophobicContact CD1-CD1 4.37Å |
| 172 | S | 90.3 | Very high | 90.1 | Very high | 20 Ų | 20 | 41.2 Ų | 41.2 | 14% | 0.14 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 156.5 | 165.8 | -172.3 | 0 | 0 | 0 | 0 | 111.1 | T149 R150 L174 D207 | T149-S172 CarbonylContact C-O 3.45Å; T149-S172 WeakPolarHBondContact CA-O 3.22Å; R150-S172 PolarHBondContact N-O 2.81Å; R150-S172 PolarHBondContact O-N 3.31Å; S172-L174 VanDerWaalsContact C-N 3.33Å; S172-L174 PolarHBondContact O-N 3.21Å; S172-D207 WeakPolarHBondContact CA-OD1 3.41Å; S172-D207 WeakPolarHBondContact CB-OD1 3.41Å; S172-D207 PolarHBondContact OG-OD1 2.84Å |
| 173 | N | 88.1 | Confident | 90.2 | Very high | 31 Ų | 31 | 38.4 Ų | 38.4 | 17% | 0.166 | 19% | 0.194 | C | C | . | . | S | Bend | trans | 54.7 | 39.2 | -175 | -53.9 | -42.2 | 0 | 0 | 0 | 114.1 | P143 A148 T149 L175 P206 | P143-N173 HydrophobicContact CB-CB 4.29Å; P143-N173 HydrophobicContact CG-CB 4.03Å; P143-N173 WeakPolarHBondContact CG-OD1 3.45Å; A148-N173 WeakPolarHBondContact O-CB 3.48Å; A148-N173 PolarHBondContact O-ND2 2.9Å; T149-N173 PolarHBondContact OG1-O 2.84Å; N173-L175 PolarHBondContact O-N 2.87Å; N173-P206 PolarHBondContact N-O 3.15Å |
| 174 | L | 88.1 | Confident | 90.3 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | trans | -59.2 | 137.5 | 172.8 | -174.3 | 56.8 | 0 | 0 | 0 | 110.2 | T149 L171 S172 F178 H179 G205 P206 P208 V244 | T149-L174 HydrophobicContact CG2-CD1 4.37Å; L171-L174 HydrophobicContact CD2-CB 4.06Å; L171-L174 HydrophobicContact CD2-CD1 3.8Å; L171-L174 HydrophobicContact CD2-CD2 4.4Å; L171-L174 HydrophobicContact CD2-CG 4.29Å; S172-L174 VanDerWaalsContact C-N 3.33Å; S172-L174 PolarHBondContact O-N 3.21Å; L174-F178 HydrophobicContact CD1-CB 3.94Å; L174-F178 HydrophobicContact CD1-CD2 3.85Å; L174-F178 HydrophobicContact CD1-CG 4.37Å; L174-F178 HydrophobicContact CD2-CB 3.89Å; L174-F178 HydrophobicContact CG-CB 3.92Å; L174-H179 PolarHBondContact O-NE2 3.16Å; L174-G205 WeakPolarHBondContact CD2-O 3.35Å; L174-P206 WeakPolarHBondContact CB-O 3.34Å; L174-P206 PolarHBondContact N-O 2.96Å; L174-P208 HydrophobicContact CD2-CG 4.08Å; L174-V244 HydrophobicContact CD1-CG1 3.74Å; L174-V244 HydrophobicContact CD1-CG2 4.49Å | ||
| 175 | L | 84.5 | Confident | 90.4 | Very high | 66 Ų | 66 | 36.2 Ų | 36.2 | 35% | 0.346 | 18% | 0.184 | S | C | . | . | trans | -64.8 | 133.2 | -179.4 | -68.5 | 157.4 | 0 | 0 | 0 | 110.9 | N173 R177 F178 | N173-L175 PolarHBondContact O-N 2.87Å; L175-R177 HydrophobicContact CB-CG 4.44Å; L175-R177 PolarHBondContact O-N 2.65Å; L175-F178 HydrophobicContact CB-CD2 4.12Å; L175-F178 HydrophobicContact CD1-CE2 4.47Å; L175-F178 PolarHBondContact O-N 3.42Å | ||
| 176 | P | 81.6 | Confident | 90.5 | Very high | 80 Ų | 80 | 37.4 Ų | 37.4 | 52% | 0.519 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -50.2 | -34 | -172.2 | -33.2 | 36.6 | 0 | 0 | 0 | 116.4 | F178 H179 | P176-F178 PolarHBondContact O-N 3.02Å; P176-H179 PolarHBondContact O-N 2.94Å; P176-H179 VanDerWaalsContact O-N 3.11Å |
| 177 | R | 82.5 | Confident | 90.5 | Very high | 159 Ų | 159 | 37.4 Ų | 37.4 | 60% | 0.6 | 19% | 0.189 | S | C | * | . | G | 310 helix | trans | -59.1 | -13 | 175.9 | 70.2 | 173.2 | -173.5 | -99.5 | 1.7 | 115.1 | L175 | L175-R177 HydrophobicContact CB-CG 4.44Å; L175-R177 PolarHBondContact O-N 2.65Å |
| 178 | F | 86.5 | Confident | 90.3 | Very high | 11 Ų | 11 | 39.3 Ų | 39.3 | 5% | 0.048 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -111.9 | -4.1 | -179.5 | -59.5 | -48.2 | 0 | 0 | 0 | 113.3 | L174 L175 P176 S180 N181 S234 H242 V244 | L174-F178 HydrophobicContact CD1-CB 3.94Å; L174-F178 HydrophobicContact CD1-CD2 3.85Å; L174-F178 HydrophobicContact CD1-CG 4.37Å; L174-F178 HydrophobicContact CD2-CB 3.89Å; L174-F178 HydrophobicContact CG-CB 3.92Å; L175-F178 HydrophobicContact CB-CD2 4.12Å; L175-F178 HydrophobicContact CD1-CE2 4.47Å; L175-F178 PolarHBondContact O-N 3.42Å; P176-F178 PolarHBondContact O-N 3.02Å; F178-S180 PolarHBondContact O-N 2.93Å; F178-S180 VanDerWaalsContact O-N 3.15Å; F178-N181 WeakPolarHBondContact O-CB 3.3Å; F178-N181 PolarHBondContact O-N 3.11Å; F178-N181 VanDerWaalsContact O-N 3.07Å; F178-S234 VanDerWaalsContact CD1-CB 3.41Å; F178-S234 VanDerWaalsContact CD1-OG 3.27Å; F178-S234 WeakPolarHBondContact CD1-OG 3.41Å; F178-H242 HydrophobicContact CE1-CB 4.14Å; F178-V244 HydrophobicContact CD2-CG1 4.07Å; F178-V244 HydrophobicContact CD2-CG2 3.89Å; F178-V244 HydrophobicContact CE2-CB 4.1Å; F178-V244 HydrophobicContact CE2-CG1 3.89Å; F178-V244 HydrophobicContact CE2-CG2 3.71Å; F178-V244 HydrophobicContact CG-CG2 4.42Å; F178-V244 HydrophobicContact CZ-CG2 4.09Å |
| 179 | H | 87.3 | Confident | 90.1 | Very high | 34 Ų | 34 | 39.3 Ų | 39.3 | 16% | 0.157 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -24.2 | -176.6 | -70.3 | -176.5 | 0 | 0 | 0 | 113.8 | L174 P176 T204 G205 P206 | L174-H179 PolarHBondContact O-NE2 3.16Å; P176-H179 PolarHBondContact O-N 2.94Å; P176-H179 VanDerWaalsContact O-N 3.11Å; H179-T204 CarbonylContact O-C 3.56Å; H179-T204 WeakPolarHBondContact O-CB 3.1Å; H179-G205 PolarHBondContact CD2-O 2.91Å; H179-G205 VanDerWaalsContact CD2-O 3.31Å; H179-G205 PolarHBondContact O-N 3.07Å; H179-P206 WeakPolarHBondContact NE2-CA 3.3Å |
| 180 | S | 85.8 | Confident | 89.8 | Confident | 75 Ų | 75 | 39 Ų | 39 | 52% | 0.524 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -5 | 178 | 56.5 | 0 | 0 | 0 | 0 | 114.9 | F178 | F178-S180 PolarHBondContact O-N 2.93Å; F178-S180 VanDerWaalsContact O-N 3.15Å |
| 181 | N | 88.8 | Confident | 89.1 | Confident | 13 Ų | 13 | 39 Ų | 39 | 7% | 0.07 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -112.9 | 148 | -161.7 | -63.3 | -9.4 | 0 | 0 | 0 | 111.8 | F178 T183 S234 V235 | F178-N181 WeakPolarHBondContact O-CB 3.3Å; F178-N181 PolarHBondContact O-N 3.11Å; F178-N181 VanDerWaalsContact O-N 3.07Å; N181-T183 PolarHBondContact O-N 3.03Å; N181-T183 PolarHBondContact O-OG1 2.79Å; N181-S234 WeakPolarHBondContact CB-OG 3.49Å; N181-S234 PolarHBondContact ND2-OG 2.88Å; N181-V235 WeakPolarHBondContact CB-O 3.46Å |
| 182 | M | 92.6 | Very high | 88.2 | Confident | 74 Ų | 74 | 40.5 Ų | 40.5 | 37% | 0.365 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 123.6 | 176.4 | -179.9 | -173.9 | 63.2 | 0 | 0 | 108.8 | K200 V235 | M182-K200 HydrophobicContact CE-CD 4.49Å; M182-K200 HydrophobicContact SD-CD 3.91Å; M182-K200 HydrophobicContact SD-CG 4.35Å; M182-V235 HydrophobicContact CB-CB 4.37Å; M182-V235 HydrophobicContact CE-CB 3.87Å; M182-V235 HydrophobicContact CE-CG1 3.96Å; M182-V235 HydrophobicContact CE-CG2 4.04Å; M182-V235 PolarHBondContact N-O 3.35Å; M182-V235 WeakPolarHBondContact O-CB 3.3Å; M182-V235 PolarHBondContact O-N 2.2Å |
| 183 | T | 93.9 | Very high | 86.8 | Confident | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.012 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 136.2 | -174.1 | -65 | 0 | 0 | 0 | 0 | 110.7 | N181 A201 P208 F210 M232 | N181-T183 PolarHBondContact O-N 3.03Å; N181-T183 PolarHBondContact O-OG1 2.79Å; T183-A201 HydrophobicContact CG2-CB 4.25Å; T183-A201 WeakPolarHBondContact O-CB 3.06Å; T183-A201 PolarHBondContact O-N 3.11Å; T183-P208 HydrophobicContact CG2-CB 4.41Å; T183-P208 HydrophobicContact CG2-CG 3.92Å; T183-F210 HydrophobicContact CG2-CZ 4.11Å; T183-M232 HydrophobicContact CG2-CE 3.15Å |
| 184 | L | 95 | Very high | 86.3 | Confident | 4 Ų | 4 | 51.7 Ų | 51.7 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 139.8 | -169.8 | -176.9 | 86.3 | 0 | 0 | 0 | 110.6 | E186 Q198 A199 K200 M233 V235 | L184-E186 HydrophobicContact CD2-CG 4.1Å; L184-Q198 HydrophobicContact CD1-CB 4.36Å; L184-A199 WeakPolarHBondContact CA-O 3.5Å; L184-A199 WeakPolarHBondContact CD1-O 3.35Å; L184-K200 HydrophobicContact CD1-CG 3.58Å; L184-M233 HydrophobicContact CB-CB 4.28Å; L184-M233 HydrophobicContact CD2-CB 4.32Å; L184-M233 PolarHBondContact N-O 2.95Å; L184-M233 PolarHBondContact O-N 2.95Å; L184-V235 HydrophobicContact CB-CG2 4.06Å; L184-V235 HydrophobicContact CD2-CG2 4.28Å |
| 185 | V | 95.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 130.8 | 168.7 | -178.8 | 0 | 0 | 0 | 0 | 109.5 | L151 L168 L187 Q198 A199 F210 L230 R231 M232 | L151-V185 HydrophobicContact CD1-CG2 4.48Å; L168-V185 HydrophobicContact CD1-CB 3.82Å; L168-V185 HydrophobicContact CD1-CG1 3.95Å; L168-V185 HydrophobicContact CD1-CG2 4.09Å; V185-L187 HydrophobicContact CB-CD1 4.37Å; V185-L187 HydrophobicContact CG1-CD1 3.78Å; V185-L187 HydrophobicContact CG1-CG 4.04Å; V185-Q198 VanDerWaalsContact O-CA 3.3Å; V185-Q198 WeakPolarHBondContact O-CA 3.44Å; V185-A199 PolarHBondContact N-O 2.71Å; V185-A199 PolarHBondContact O-N 2.64Å; V185-F210 HydrophobicContact CB-CE1 4.44Å; V185-F210 HydrophobicContact CG2-CE1 3.75Å; V185-F210 HydrophobicContact CG2-CE2 4.02Å; V185-F210 HydrophobicContact CG2-CZ 3.47Å; V185-F210 VanDerWaalsContact CG2-CZ 3.47Å; V185-L230 HydrophobicContact CG1-CB 4.26Å; V185-R231 CarbonylContact C-O 3.58Å; V185-R231 WeakPolarHBondContact CA-O 3.36Å; V185-M232 HydrophobicContact CG2-CE 3.73Å; V185-M232 HydrophobicContact CG2-SD 3.68Å |
| 186 | E | 94.2 | Very high | 86 | Confident | 29 Ų | 29 | 61.6 Ų | 61.6 | 14% | 0.136 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 119.9 | 170 | -48.8 | -172.5 | 150.6 | 0 | 0 | 109.5 | L184 R197 Q198 R231 M233 R241 | L184-E186 HydrophobicContact CD2-CG 4.1Å; E186-R197 CarbonylContact C-O 3.38Å; E186-R197 WeakPolarHBondContact CA-O 3.41Å; E186-Q198 HydrophobicContact CB-CG 4.48Å; E186-Q198 HydrophobicContact CG-CG 4.19Å; E186-Q198 PolarHBondContact OE1-NE2 2.74Å; E186-R231 HydrophobicContact CB-CB 4.3Å; E186-R231 PolarHBondContact N-O 2.83Å; E186-R231 WeakPolarHBondContact O-CB 3.28Å; E186-R231 PolarHBondContact O-N 2.73Å; E186-R231 IonicContact OE2-NH1 2.14Å; E186-M233 HydrophobicContact CG-CG 4.18Å; E186-R241 IonicContact OE1-CZ 3.73Å; E186-R241 IonicContact OE1-NH1 3.36Å; E186-R241 PolarHBondContact OE1-NH1 3.1Å |
| 187 | L | 94.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 131.8 | -177.3 | -55.1 | 83.4 | 0 | 0 | 0 | 110.3 | V166 L168 V185 P196 R197 L214 F216 R229 L230 | V166-L187 HydrophobicContact CB-CD2 4.19Å; V166-L187 HydrophobicContact CG1-CD2 3.76Å; L168-L187 HydrophobicContact CD1-CD1 4.14Å; V185-L187 HydrophobicContact CB-CD1 4.37Å; V185-L187 HydrophobicContact CG1-CD1 3.78Å; V185-L187 HydrophobicContact CG1-CG 4.04Å; L187-P196 CarbonylContact O-C 3.59Å; L187-P196 VanDerWaalsContact O-CA 3.28Å; L187-P196 WeakPolarHBondContact O-CA 3.36Å; L187-R197 PolarHBondContact N-O 2.85Å; L187-R197 PolarHBondContact O-N 2.86Å; L187-L214 HydrophobicContact CD1-CD1 4.08Å; L187-L214 HydrophobicContact CD1-CD2 4.02Å; L187-L214 HydrophobicContact CD2-CD1 4.03Å; L187-F216 HydrophobicContact CB-CE2 4.37Å; L187-F216 HydrophobicContact CB-CZ 3.87Å; L187-F216 HydrophobicContact CD2-CE2 4.47Å; L187-R229 WeakPolarHBondContact CA-O 3.36Å; L187-L230 HydrophobicContact CD2-CD2 4.04Å; L187-L230 HydrophobicContact CG-CD2 4.38Å |
| 188 | R | 91.9 | Very high | 87.1 | Confident | 64 Ų | 64 | 59.3 Ų | 59.3 | 24% | 0.242 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 138 | 172.5 | -157.1 | -165.6 | -72.7 | -155.5 | -11.6 | 110.5 | D192 D193 P196 R229 | R188-D192 WeakPolarHBondContact CD-O 3.15Å; R188-D193 IonicContact CZ-OD1 3.32Å; R188-D193 IonicContact NH1-OD1 2.71Å; R188-D193 PolarHBondContact NH1-OD1 3.32Å; R188-P196 HydrophobicContact CB-CB 4.48Å; R188-R229 PolarHBondContact N-O 2.8Å; R188-R229 PolarHBondContact O-N 2.7Å |
| 189 | L | 91 | Very high | 87.5 | Confident | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 140.9 | 162.9 | -68.2 | 173.7 | 0 | 0 | 0 | 108.8 | L164 D192 F216 I218 F226 K227 L228 L251 | L164-L189 HydrophobicContact CD2-CD2 3.94Å; L189-D192 HydrophobicContact CB-CB 4.09Å; L189-D192 PolarHBondContact O-N 3.03Å; L189-F216 HydrophobicContact CD1-CB 3.78Å; L189-F216 HydrophobicContact CD1-CD1 3.74Å; L189-F216 HydrophobicContact CD1-CG 3.89Å; L189-F216 HydrophobicContact CG-CD1 3.9Å; L189-F216 HydrophobicContact CG-CE1 4.23Å; L189-F216 HydrophobicContact CG-CG 4.21Å; L189-I218 HydrophobicContact CD1-CG2 3.54Å; L189-F226 HydrophobicContact CB-CD1 4.22Å; L189-K227 CarbonylContact C-O 3.6Å; L189-L228 HydrophobicContact CD2-CB 4.16Å; L189-L228 HydrophobicContact CD2-CD1 4.09Å; L189-L251 HydrophobicContact CD2-CD1 4.07Å |
| 190 | L | 85.9 | Confident | 87.8 | Confident | 50 Ų | 50 | 63.2 Ų | 63.2 | 26% | 0.262 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 130.9 | 175.2 | -59.3 | 178.2 | 0 | 0 | 0 | 107.8 | F226 K227 R229 L248 | L190-F226 WeakPolarHBondContact O-CA 3.38Å; L190-F226 WeakPolarHBondContact O-CD1 3.41Å; L190-K227 PolarHBondContact N-O 2.8Å; L190-K227 PolarHBondContact O-N 2.9Å; L190-R229 HydrophobicContact CD1-CB 3.97Å; L190-R229 HydrophobicContact CG-CB 4.27Å; L190-L248 HydrophobicContact CD1-CD2 4.28Å |
| 191 | P | 79.3 | Confident | 88.2 | Confident | 105 Ų | 105 | 60.3 Ų | 60.3 | 68% | 0.682 | 28% | 0.279 | S | S | * | . | S | Bend | cis | -89 | 11 | 14.6 | 35.3 | -38.1 | 0 | 0 | 0 | 117 | D193 | P191-D193 PolarHBondContact O-N 2.86Š|
| 192 | D | 75.8 | Confident | 88.3 | Confident | 30 Ų | 30 | 66.9 Ų | 66.9 | 16% | 0.16 | 30% | 0.303 | C | S | . | . | trans | -61.8 | 117.3 | -176.3 | -170.2 | 2.3 | 0 | 0 | 0 | 113.1 | R188 L189 R194 F226 | R188-D192 WeakPolarHBondContact CD-O 3.15Å; L189-D192 HydrophobicContact CB-CB 4.09Å; L189-D192 PolarHBondContact O-N 3.03Å; D192-R194 VanDerWaalsContact C-N 3.29Å; D192-R194 PolarHBondContact O-N 2.97Å; D192-R194 WeakPolarHBondContact OD1-CB 3.4Å; D192-R194 WeakPolarHBondContact OD1-CG 3.49Å; D192-R194 PolarHBondContact OD1-N 2.79Å; D192-R194 VanDerWaalsContact OD1-N 3.07Å; D192-R194 IonicContact OD1-NE 3.25Å; D192-R194 VanDerWaalsContact OD2-CD 3.22Å; D192-R194 WeakPolarHBondContact OD2-CD 3.36Å; D192-R194 IonicContact OD2-CZ 2.71Å; D192-R194 IonicContact OD2-NE 2.73Å; D192-R194 IonicContact OD2-NH1 3.05Å; D192-R194 PolarHBondContact OD2-NH1 3.04Å; D192-F226 HydrophobicContact CB-CE1 3.96Å | ||
| 193 | D | 60.8 | Low | 88 | Confident | 128 Ų | 128 | 66 Ų | 66 | 68% | 0.684 | 31% | 0.313 | S | S | * | . | trans | -89.7 | 15.4 | 178.3 | -159.2 | 40.8 | 0 | 0 | 0 | 113.7 | R188 P191 | R188-D193 IonicContact CZ-OD1 3.32Å; R188-D193 IonicContact NH1-OD1 2.71Å; R188-D193 PolarHBondContact NH1-OD1 3.32Å; P191-D193 PolarHBondContact O-N 2.86Å | ||
| 194 | R | 77.5 | Confident | 87.8 | Confident | 159 Ų | 159 | 70.2 Ų | 70.2 | 60% | 0.6 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -54.2 | 150.7 | 165.2 | -76.4 | 174.9 | -160.4 | 145.9 | -11.8 | 111.5 | D192 | D192-R194 VanDerWaalsContact C-N 3.29Å; D192-R194 PolarHBondContact O-N 2.97Å; D192-R194 WeakPolarHBondContact OD1-CB 3.4Å; D192-R194 WeakPolarHBondContact OD1-CG 3.49Å; D192-R194 PolarHBondContact OD1-N 2.79Å; D192-R194 VanDerWaalsContact OD1-N 3.07Å; D192-R194 IonicContact OD1-NE 3.25Å; D192-R194 VanDerWaalsContact OD2-CD 3.22Å; D192-R194 WeakPolarHBondContact OD2-CD 3.36Å; D192-R194 IonicContact OD2-CZ 2.71Å; D192-R194 IonicContact OD2-NE 2.73Å; D192-R194 IonicContact OD2-NH1 3.05Å; D192-R194 PolarHBondContact OD2-NH1 3.04Å |
| 195 | R | 77 | Confident | 87.5 | Confident | 234 Ų | 234 | 70.6 Ų | 70.6 | 88% | 0.883 | 34% | 0.343 | S | S | * | . | P | Polyproline II helix | trans | -51.6 | 131.8 | 178.5 | -66.1 | -174.5 | 178.3 | -164.4 | 0.4 | 110.5 | ||
| 196 | P | 88.4 | Confident | 87.1 | Confident | 40 Ų | 40 | 72.8 Ų | 72.8 | 26% | 0.26 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 139.1 | -179.7 | 27.8 | -34.5 | 0 | 0 | 0 | 110.5 | L187 R188 | L187-P196 CarbonylContact O-C 3.59Å; L187-P196 VanDerWaalsContact O-CA 3.28Å; L187-P196 WeakPolarHBondContact O-CA 3.36Å; R188-P196 HydrophobicContact CB-CB 4.48Å |
| 197 | R | 92.3 | Very high | 86.9 | Confident | 112 Ų | 112 | 74.8 Ų | 74.8 | 42% | 0.423 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 145.8 | 170.2 | -57.5 | -173.9 | -176.8 | -110.6 | -2.6 | 108.4 | E186 L187 L214 I215 F216 | E186-R197 CarbonylContact C-O 3.38Å; E186-R197 WeakPolarHBondContact CA-O 3.41Å; L187-R197 PolarHBondContact N-O 2.85Å; L187-R197 PolarHBondContact O-N 2.86Å; R197-L214 HydrophobicContact CB-CD2 3.66Å; R197-I215 PolarHBondContact NE-O 3.27Å; R197-I215 PolarHBondContact NH1-O 2.94Å; R197-I215 PolarHBondContact NH2-O 3.37Å; R197-F216 HydrophobicContact CB-CZ 4.26Å; R197-F216 HydrophobicContact CG-CE1 3.93Å; R197-F216 HydrophobicContact CG-CZ 3.94Å |
| 198 | Q | 94.2 | Very high | 86.8 | Confident | 80 Ų | 80 | 75 Ų | 75 | 37% | 0.374 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 139 | -176.3 | -52.1 | -158.3 | -15.9 | 0 | 0 | 111 | L184 V185 E186 | L184-Q198 HydrophobicContact CD1-CB 4.36Å; V185-Q198 VanDerWaalsContact O-CA 3.3Å; V185-Q198 WeakPolarHBondContact O-CA 3.44Å; E186-Q198 HydrophobicContact CB-CG 4.48Å; E186-Q198 HydrophobicContact CG-CG 4.19Å; E186-Q198 PolarHBondContact OE1-NE2 2.74Å |
| 199 | A | 95.2 | Very high | 86.9 | Confident | 3 Ų | 3 | 76.3 Ų | 76.3 | 3% | 0.025 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 142.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | L168 L184 V185 F210 D212 L214 | L168-A199 HydrophobicContact CD1-CB 3.62Å; L184-A199 WeakPolarHBondContact CA-O 3.5Å; L184-A199 WeakPolarHBondContact CD1-O 3.35Å; V185-A199 PolarHBondContact N-O 2.71Å; V185-A199 PolarHBondContact O-N 2.64Å; A199-F210 HydrophobicContact CB-CD1 4.34Å; A199-D212 HydrophobicContact CB-CB 3.9Å; A199-L214 HydrophobicContact CB-CD1 4.25Å |
| 200 | K | 94.8 | Very high | 86.9 | Confident | 123 Ų | 123 | 76.2 Ų | 76.2 | 54% | 0.535 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 136.4 | 180 | -71.1 | 176.8 | 177.7 | -177.6 | 0 | 109.4 | M182 L184 | M182-K200 HydrophobicContact CE-CD 4.49Å; M182-K200 HydrophobicContact SD-CD 3.91Å; M182-K200 HydrophobicContact SD-CG 4.35Å; L184-K200 HydrophobicContact CD1-CG 3.58Å |
| 201 | A | 93.8 | Very high | 87 | Confident | 15 Ų | 15 | 78.3 Ų | 78.3 | 12% | 0.124 | 39% | 0.39 | C | S | . | . | trans | -67.1 | 155.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | T183 P208 E209 F210 | T183-A201 HydrophobicContact CG2-CB 4.25Å; T183-A201 WeakPolarHBondContact O-CB 3.06Å; T183-A201 PolarHBondContact O-N 3.11Å; A201-P208 HydrophobicContact CB-CB 3.82Å; A201-E209 CarbonylContact C-O 3.56Å; A201-E209 WeakPolarHBondContact CA-O 3.49Å; A201-F210 HydrophobicContact CB-CD1 4.29Å; A201-F210 HydrophobicContact CB-CE1 3.77Å; A201-F210 HydrophobicContact CB-CE2 4.25Å; A201-F210 HydrophobicContact CB-CZ 3.73Å; A201-F210 VanDerWaalsContact N-CE1 3.31Å | ||
| 202 | R | 90.8 | Very high | 87.8 | Confident | 151 Ų | 151 | 75.4 Ų | 75.4 | 57% | 0.57 | 37% | 0.369 | S | S | * | . | B | Isolated β-bridge | trans | -97.6 | 122.9 | 170.8 | -57.2 | 179.4 | -169.9 | -129.6 | 4.6 | 107.4 | E209 N211 | R202-E209 PolarHBondContact N-O 2.69Å; R202-N211 PolarHBondContact NH2-O 3Å |
| 203 | G | 86.6 | Confident | 88.6 | Confident | 55 Ų | 55 | 78.3 Ų | 78.3 | 57% | 0.567 | 39% | 0.391 | S | S | * | . | S | Bend | trans | 76.8 | -175.7 | -173 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 204 | T | 88.9 | Confident | 90.2 | Very high | 90 Ų | 90 | 73.2 Ų | 73.2 | 55% | 0.552 | 36% | 0.363 | S | S | * | . | trans | -148.3 | 135.6 | -176.1 | 54.4 | 0 | 0 | 0 | 0 | 108.6 | H179 | H179-T204 CarbonylContact O-C 3.56Å; H179-T204 WeakPolarHBondContact O-CB 3.1Å | ||
| 205 | G | 88.6 | Confident | 90.9 | Very high | 12 Ų | 12 | 68.8 Ų | 68.8 | 12% | 0.124 | 35% | 0.351 | C | S | . | . | S | Bend | trans | 158 | -158.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L174 H179 | L174-G205 WeakPolarHBondContact CD2-O 3.35Å; H179-G205 PolarHBondContact CD2-O 2.91Å; H179-G205 VanDerWaalsContact CD2-O 3.31Å; H179-G205 PolarHBondContact O-N 3.07Å |
| 206 | P | 86.5 | Confident | 91.7 | Very high | 46 Ų | 46 | 58.2 Ų | 58.2 | 30% | 0.299 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -71.9 | -32.7 | 176.6 | 26.9 | -33.1 | 0 | 0 | 0 | 114.2 | N173 L174 H179 P208 | N173-P206 PolarHBondContact N-O 3.15Å; L174-P206 WeakPolarHBondContact CB-O 3.34Å; L174-P206 PolarHBondContact N-O 2.96Å; H179-P206 WeakPolarHBondContact NE2-CA 3.3Å; P206-P208 WeakPolarHBondContact O-CD 3.44Å |
| 207 | D | 90.4 | Very high | 91.8 | Very high | 71 Ų | 71 | 61.1 Ų | 61.1 | 38% | 0.38 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -126.6 | 60.5 | -173.3 | -54.7 | -88.6 | 0 | 0 | 0 | 111.8 | L171 S172 E209 | L171-D207 WeakPolarHBondContact O-CA 3.39Å; S172-D207 WeakPolarHBondContact CA-OD1 3.41Å; S172-D207 WeakPolarHBondContact CB-OD1 3.41Å; S172-D207 PolarHBondContact OG-OD1 2.84Å; D207-E209 PolarHBondContact O-N 2.81Å |
| 208 | P | 92.6 | Very high | 91.7 | Very high | 4 Ų | 4 | 56.2 Ų | 56.2 | 3% | 0.026 | 30% | 0.304 | C | S | . | . | trans | -64.6 | 129.9 | -177.7 | 25.9 | -34.3 | 0 | 0 | 0 | 112 | L171 L174 T183 A201 P206 | L171-P208 HydrophobicContact CB-CG 3.86Å; L171-P208 HydrophobicContact CD2-CG 4.14Å; L171-P208 PolarHBondContact N-O 3.03Å; L174-P208 HydrophobicContact CD2-CG 4.08Å; T183-P208 HydrophobicContact CG2-CB 4.41Å; T183-P208 HydrophobicContact CG2-CG 3.92Å; A201-P208 HydrophobicContact CB-CB 3.82Å; P206-P208 WeakPolarHBondContact O-CD 3.44Å | ||
| 209 | E | 93.8 | Very high | 91.4 | Very high | 93 Ų | 93 | 55.6 Ų | 55.6 | 44% | 0.435 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 151.6 | -172.7 | -61.3 | -161.6 | 142.8 | 0 | 0 | 113.2 | R170 A201 R202 D207 | R170-E209 HydrophobicContact CB-CB 4.44Å; R170-E209 HydrophobicContact CB-CG 4.21Å; A201-E209 CarbonylContact C-O 3.56Å; A201-E209 WeakPolarHBondContact CA-O 3.49Å; R202-E209 PolarHBondContact N-O 2.69Å; D207-E209 PolarHBondContact O-N 2.81Å |
| 210 | F | 91.6 | Very high | 91 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 146.1 | 172.4 | -65 | -86.7 | 0 | 0 | 0 | 108.7 | L168 L169 T183 V185 A199 A201 M232 | L168-F210 HydrophobicContact CB-CB 3.51Å; L168-F210 HydrophobicContact CB-CD1 4.49Å; L168-F210 HydrophobicContact CB-CG 3.99Å; L168-F210 HydrophobicContact CD1-CD1 4.32Å; L168-F210 CarbonylContact O-C 3.51Å; L168-F210 VanDerWaalsContact O-C 3.3Å; L168-F210 VanDerWaalsContact O-O 3.08Å; L169-F210 CarbonylContact C-O 3.49Å; L169-F210 VanDerWaalsContact C-O 3.32Å; L169-F210 WeakPolarHBondContact CA-O 3.4Å; L169-F210 CarbonylContact O-C 3.38Å; L169-F210 PolarHBondContact O-N 3.37Å; T183-F210 HydrophobicContact CG2-CZ 4.11Å; V185-F210 HydrophobicContact CB-CE1 4.44Å; V185-F210 HydrophobicContact CG2-CE1 3.75Å; V185-F210 HydrophobicContact CG2-CE2 4.02Å; V185-F210 HydrophobicContact CG2-CZ 3.47Å; V185-F210 VanDerWaalsContact CG2-CZ 3.47Å; A199-F210 HydrophobicContact CB-CD1 4.34Å; A201-F210 HydrophobicContact CB-CD1 4.29Å; A201-F210 HydrophobicContact CB-CE1 3.77Å; A201-F210 HydrophobicContact CB-CE2 4.25Å; A201-F210 HydrophobicContact CB-CZ 3.73Å; A201-F210 VanDerWaalsContact N-CE1 3.31Å; F210-M232 HydrophobicContact CE2-CE 3.99Å; F210-M232 HydrophobicContact CZ-CE 3.69Å |
| 211 | N | 88.9 | Confident | 90.7 | Very high | 93 Ų | 93 | 60 Ų | 60 | 50% | 0.497 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 64.1 | 174.8 | -83.3 | -81.3 | 0 | 0 | 0 | 106.8 | R202 | R202-N211 PolarHBondContact NH2-O 3Å |
| 212 | D | 94.2 | Very high | 90.3 | Very high | 44 Ų | 44 | 60.8 Ų | 60.8 | 24% | 0.235 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 118.6 | -161.4 | -65.8 | -99.3 | 0 | 0 | 0 | 109.7 | L168 A199 L214 | L168-D212 PolarHBondContact N-O 3.13Å; A199-D212 HydrophobicContact CB-CB 3.9Å; D212-L214 HydrophobicContact CB-CD1 4.35Å |
| 213 | C | 93 | Very high | 90.2 | Very high | 91 Ų | 91 | 54.2 Ų | 54.2 | 62% | 0.615 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 118.2 | -179.3 | -61.1 | 0 | 0 | 0 | 0 | 109.8 | V166 | V166-C213 WeakPolarHBondContact O-CA 3.22Å |
| 214 | L | 94.3 | Very high | 90.2 | Very high | 21 Ų | 21 | 53.7 Ų | 53.7 | 11% | 0.11 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 118.5 | -174 | -55.4 | 105.8 | 0 | 0 | 0 | 110.2 | V166 L168 L187 R197 A199 D212 | V166-L214 PolarHBondContact N-O 3.46Å; V166-L214 PolarHBondContact O-N 2.87Å; L168-L214 HydrophobicContact CD1-CD1 3.97Å; L168-L214 HydrophobicContact CG-CD1 4.15Å; L187-L214 HydrophobicContact CD1-CD1 4.08Å; L187-L214 HydrophobicContact CD1-CD2 4.02Å; L187-L214 HydrophobicContact CD2-CD1 4.03Å; R197-L214 HydrophobicContact CB-CD2 3.66Å; A199-L214 HydrophobicContact CB-CD1 4.25Å; D212-L214 HydrophobicContact CB-CD1 4.35Å |
| 215 | I | 93.5 | Very high | 90.1 | Very high | 66 Ų | 66 | 58.1 Ų | 58.1 | 34% | 0.338 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 119.9 | -171.7 | -51.4 | 179.2 | 0 | 0 | 0 | 110.3 | Q163 L164 V165 R197 | Q163-I215 HydrophobicContact CB-CG2 3.75Å; Q163-I215 HydrophobicContact CG-CG2 3.6Å; L164-I215 CarbonylContact O-C 3.39Å; L164-I215 WeakPolarHBondContact O-CA 3.49Å; V165-I215 HydrophobicContact CG1-CG1 4.38Å; V165-I215 HydrophobicContact CG2-CG1 4.25Å; V165-I215 HydrophobicContact CG2-CG2 4.41Å; R197-I215 PolarHBondContact NE-O 3.27Å; R197-I215 PolarHBondContact NH1-O 2.94Å; R197-I215 PolarHBondContact NH2-O 3.37Å |
| 216 | F | 92.3 | Very high | 90.1 | Very high | 13 Ų | 13 | 59.2 Ų | 59.2 | 6% | 0.057 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 132.4 | 171.5 | -61.9 | -99 | 0 | 0 | 0 | 110.2 | Q163 L164 V166 L187 L189 R197 L228 | Q163-F216 WeakPolarHBondContact CA-O 3.46Å; L164-F216 HydrophobicContact CB-CB 4.35Å; L164-F216 PolarHBondContact N-O 3.13Å; L164-F216 PolarHBondContact O-N 3.21Å; V166-F216 HydrophobicContact CG2-CD2 4.27Å; V166-F216 HydrophobicContact CG2-CE2 4.2Å; L187-F216 HydrophobicContact CB-CE2 4.37Å; L187-F216 HydrophobicContact CB-CZ 3.87Å; L187-F216 HydrophobicContact CD2-CE2 4.47Å; L189-F216 HydrophobicContact CD1-CB 3.78Å; L189-F216 HydrophobicContact CD1-CD1 3.74Å; L189-F216 HydrophobicContact CD1-CG 3.89Å; L189-F216 HydrophobicContact CG-CD1 3.9Å; L189-F216 HydrophobicContact CG-CE1 4.23Å; L189-F216 HydrophobicContact CG-CG 4.21Å; R197-F216 HydrophobicContact CB-CZ 4.26Å; R197-F216 HydrophobicContact CG-CE1 3.93Å; R197-F216 HydrophobicContact CG-CZ 3.94Å; F216-L228 HydrophobicContact CE2-CD1 4.2Å; F216-L228 HydrophobicContact CZ-CD1 4.4Å |
| 217 | Q | 91.3 | Very high | 90.3 | Very high | 101 Ų | 101 | 62.4 Ų | 62.4 | 47% | 0.472 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 110.8 | 175.2 | -161.3 | 72.9 | 35.1 | 0 | 0 | 108.7 | S161 E162 | S161-Q217 PolarHBondContact O-NE2 2.9Å; E162-Q217 PolarHBondContact O-NE2 3.22Å; E162-Q217 VanDerWaalsContact O-NE2 3.08Å |
| 218 | I | 89.8 | Confident | 90.5 | Very high | 8 Ų | 8 | 59 Ų | 59 | 4% | 0.041 | 30% | 0.301 | C | S | . | . | trans | -142.7 | 139.1 | 178.3 | 61.4 | 176.9 | 0 | 0 | 0 | 110.1 | Y157 E162 L164 L189 I223 F226 L251 | Y157-I218 HydrophobicContact CD2-CG1 4.46Å; Y157-I218 HydrophobicContact CE2-CG1 3.96Å; Y157-I218 WeakPolarHBondContact CE2-O 3.15Å; Y157-I218 PolarHBondContact OH-O 3.24Å; E162-I218 CarbonylContact C-O 3.57Å; E162-I218 PolarHBondContact O-N 3.35Å; L164-I218 HydrophobicContact CB-CD1 3.82Å; L164-I218 HydrophobicContact CB-CG1 4.03Å; L164-I218 HydrophobicContact CD1-CD1 4.5Å; L164-I218 HydrophobicContact CD2-CD1 4.12Å; L164-I218 HydrophobicContact CG-CD1 4.38Å; L189-I218 HydrophobicContact CD1-CG2 3.54Å; I218-I223 HydrophobicContact CD1-CG1 4.21Å; I218-F226 HydrophobicContact CG2-CD2 4.39Å; I218-F226 HydrophobicContact CG2-CE2 4.26Å; I218-L251 HydrophobicContact CD1-CD1 3.67Å | ||
| 219 | T | 89.6 | Confident | 90.5 | Very high | 67 Ų | 67 | 61.9 Ų | 61.9 | 41% | 0.411 | 31% | 0.311 | S | S | . | . | trans | -78.4 | 145.1 | 179.8 | -67.2 | 0 | 0 | 0 | 0 | 111.5 | E162 L221 S222 | E162-T219 VanDerWaalsContact CD-CA 3.48Å; E162-T219 VanDerWaalsContact OE1-CA 3.31Å; E162-T219 WeakPolarHBondContact OE1-CA 3.43Å; E162-T219 WeakPolarHBondContact OE1-CG2 3.44Å; E162-T219 VanDerWaalsContact OE2-CA 3.28Å; E162-T219 WeakPolarHBondContact OE2-CA 3.44Å; E162-T219 VanDerWaalsContact OE2-CB 3.22Å; E162-T219 WeakPolarHBondContact OE2-CB 3.48Å; E162-T219 WeakPolarHBondContact OE2-CG2 3.37Å; E162-T219 PolarHBondContact OE2-OG1 3.34Å; T219-L221 VanDerWaalsContact C-N 3.26Å; T219-L221 HydrophobicContact CG2-CB 4.34Å; T219-L221 HydrophobicContact CG2-CG 4.5Å; T219-L221 PolarHBondContact O-N 3.11Å; T219-L221 VanDerWaalsContact O-N 3.17Å; T219-S222 PolarHBondContact N-OG 2.85Å; T219-S222 WeakPolarHBondContact O-CA 3.48Å; T219-S222 WeakPolarHBondContact O-CB 3.3Å; T219-S222 PolarHBondContact O-N 3.22Å; T219-S222 PolarHBondContact O-OG 2.88Å | ||
| 220 | N | 86.3 | Confident | 90.5 | Very high | 72 Ų | 72 | 57.5 Ų | 57.5 | 39% | 0.385 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -54.6 | -41.7 | -172.7 | -167.9 | 17.4 | 0 | 0 | 0 | 112.5 | Y157 H159 E162 S222 I223 | Y157-N220 HydrophobicContact CE1-CB 4.12Å; Y157-N220 WeakPolarHBondContact OH-CA 3.34Å; Y157-N220 PolarHBondContact OH-N 3.25Å; H159-N220 PolarHBondContact ND1-ND2 3.11Å; E162-N220 PolarHBondContact OE1-N 2.93Å; N220-S222 PolarHBondContact O-N 2.85Å; N220-S222 VanDerWaalsContact O-N 3.13Å; N220-I223 WeakPolarHBondContact O-CB 3.16Å; N220-I223 WeakPolarHBondContact O-CG1 3.3Å; N220-I223 PolarHBondContact O-N 3.24Å; N220-I223 WeakPolarHBondContact OD1-CD1 3.48Å |
| 221 | L | 87.7 | Confident | 90.6 | Very high | 148 Ų | 148 | 59.9 Ų | 59.9 | 78% | 0.775 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -60.5 | -21 | 176.8 | -59.4 | 175.1 | 0 | 0 | 0 | 114.2 | T219 | T219-L221 VanDerWaalsContact C-N 3.26Å; T219-L221 HydrophobicContact CG2-CB 4.34Å; T219-L221 HydrophobicContact CG2-CG 4.5Å; T219-L221 PolarHBondContact O-N 3.11Å; T219-L221 VanDerWaalsContact O-N 3.17Å |
| 222 | S | 86.3 | Confident | 90.8 | Very high | 30 Ų | 30 | 55.5 Ų | 55.5 | 21% | 0.21 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -92.4 | -15.6 | -177.2 | 72.5 | 0 | 0 | 0 | 0 | 114 | T219 N220 Y225 F226 | T219-S222 PolarHBondContact N-OG 2.85Å; T219-S222 WeakPolarHBondContact O-CA 3.48Å; T219-S222 WeakPolarHBondContact O-CB 3.3Å; T219-S222 PolarHBondContact O-N 3.22Å; T219-S222 PolarHBondContact O-OG 2.88Å; N220-S222 PolarHBondContact O-N 2.85Å; N220-S222 VanDerWaalsContact O-N 3.13Å; S222-Y225 PolarHBondContact O-N 2.86Å; S222-Y225 VanDerWaalsContact O-N 3.16Å; S222-F226 VanDerWaalsContact O-CD2 3.27Å; S222-F226 WeakPolarHBondContact O-CD2 3.47Å; S222-F226 WeakPolarHBondContact OG-CE2 3.27Å |
| 223 | I | 87.1 | Confident | 90.7 | Very high | 13 Ų | 13 | 53.5 Ų | 53.5 | 7% | 0.067 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -48.4 | -51.9 | -176.8 | -67.6 | -179.8 | 0 | 0 | 0 | 113.6 | Y157 I218 N220 Y225 F226 L251 L255 | Y157-I223 HydrophobicContact CD1-CD1 3.7Å; Y157-I223 HydrophobicContact CD2-CD1 3.89Å; Y157-I223 HydrophobicContact CE1-CD1 3.72Å; Y157-I223 HydrophobicContact CE2-CD1 3.92Å; Y157-I223 HydrophobicContact CG-CD1 3.78Å; I218-I223 HydrophobicContact CD1-CG1 4.21Å; N220-I223 WeakPolarHBondContact O-CB 3.16Å; N220-I223 WeakPolarHBondContact O-CG1 3.3Å; N220-I223 PolarHBondContact O-N 3.24Å; N220-I223 WeakPolarHBondContact OD1-CD1 3.48Å; I223-Y225 PolarHBondContact O-N 2.87Å; I223-Y225 VanDerWaalsContact O-N 3.15Å; I223-F226 PolarHBondContact O-N 2.95Å; I223-L251 HydrophobicContact CG2-CB 3.73Å; I223-L255 HydrophobicContact CD1-CD2 4.48Å |
| 224 | P | 87.4 | Confident | 90.6 | Very high | 45 Ų | 45 | 49.1 Ų | 49.1 | 29% | 0.292 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -63.5 | -25.7 | -174.1 | 23.6 | -34 | 0 | 0 | 0 | 113.8 | F226 E252 | P224-F226 VanDerWaalsContact C-N 3.33Å; P224-E252 HydrophobicContact CB-CB 4.21Å; P224-E252 HydrophobicContact CB-CG 4Å; P224-E252 WeakPolarHBondContact CB-OE1 3.26Å |
| 225 | Y | 86.6 | Confident | 90.4 | Very high | 182 Ų | 182 | 48.8 Ų | 48.8 | 71% | 0.714 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -81.1 | -11.5 | 179.1 | -52.8 | -76.7 | 0 | 0 | 0 | 113.6 | S222 I223 | S222-Y225 PolarHBondContact O-N 2.86Å; S222-Y225 VanDerWaalsContact O-N 3.16Å; I223-Y225 PolarHBondContact O-N 2.87Å; I223-Y225 VanDerWaalsContact O-N 3.15Å |
| 226 | F | 89.4 | Confident | 90.2 | Very high | 36 Ų | 36 | 48.3 Ų | 48.3 | 16% | 0.158 | 23% | 0.231 | C | C | . | . | trans | -102.3 | 143.5 | -175.2 | -79.6 | -58.4 | 0 | 0 | 0 | 113.4 | L189 L190 D192 I218 S222 I223 P224 L251 | L189-F226 HydrophobicContact CB-CD1 4.22Å; L190-F226 WeakPolarHBondContact O-CA 3.38Å; L190-F226 WeakPolarHBondContact O-CD1 3.41Å; D192-F226 HydrophobicContact CB-CE1 3.96Å; I218-F226 HydrophobicContact CG2-CD2 4.39Å; I218-F226 HydrophobicContact CG2-CE2 4.26Å; S222-F226 VanDerWaalsContact O-CD2 3.27Å; S222-F226 WeakPolarHBondContact O-CD2 3.47Å; S222-F226 WeakPolarHBondContact OG-CE2 3.27Å; I223-F226 PolarHBondContact O-N 2.95Å; P224-F226 VanDerWaalsContact C-N 3.33Å; F226-L251 HydrophobicContact CB-CD1 3.79Å; F226-L251 HydrophobicContact CB-CG 4.41Å; F226-L251 WeakPolarHBondContact O-CB 3.44Å; F226-L251 WeakPolarHBondContact O-CG 3.48Å; F226-L251 PolarHBondContact O-N 2.97Å; F226-L251 VanDerWaalsContact O-N 3.11Å | ||
| 227 | K | 91.4 | Very high | 90 | Very high | 113 Ų | 113 | 57.2 Ų | 57.2 | 49% | 0.491 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 128.3 | 172.1 | -52.8 | -170.1 | 179.2 | -177.4 | 0 | 109.9 | L189 L190 P250 | L189-K227 CarbonylContact C-O 3.6Å; L190-K227 PolarHBondContact N-O 2.8Å; L190-K227 PolarHBondContact O-N 2.9Å; K227-P250 HydrophobicContact CG-CB 4.44Å |
| 228 | L | 92.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 116.5 | 175.5 | 177.5 | 67.5 | 0 | 0 | 0 | 109.5 | V155 V166 L189 F216 L230 F249 L251 | V155-L228 HydrophobicContact CG2-CD2 4.05Å; V166-L228 HydrophobicContact CB-CD2 4.46Å; V166-L228 HydrophobicContact CG1-CD2 4Å; V166-L228 HydrophobicContact CG2-CD1 4.35Å; V166-L228 HydrophobicContact CG2-CD2 3.57Å; L189-L228 HydrophobicContact CD2-CB 4.16Å; L189-L228 HydrophobicContact CD2-CD1 4.09Å; F216-L228 HydrophobicContact CE2-CD1 4.2Å; F216-L228 HydrophobicContact CZ-CD1 4.4Å; L228-L230 HydrophobicContact CD2-CD1 3.94Å; L228-L230 HydrophobicContact CD2-CD2 4.47Å; L228-L230 HydrophobicContact CD2-CG 4.31Å; L228-L230 HydrophobicContact CG-CD1 3.89Å; L228-L230 HydrophobicContact CG-CG 4.18Å; L228-F249 HydrophobicContact CB-CB 4.32Å; L228-F249 HydrophobicContact CB-CD1 4.34Å; L228-F249 HydrophobicContact CD2-CD1 4.45Å; L228-F249 PolarHBondContact N-O 3Å; L228-F249 PolarHBondContact O-N 2.88Å; L228-L251 HydrophobicContact CB-CD2 4.15Å |
| 229 | R | 92.4 | Very high | 89.2 | Confident | 63 Ų | 63 | 59.8 Ų | 59.8 | 24% | 0.238 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 122 | 168.8 | -179.6 | 174 | 62.7 | -172 | -1.5 | 109.4 | L187 R188 L190 V247 L248 | L187-R229 WeakPolarHBondContact CA-O 3.36Å; R188-R229 PolarHBondContact N-O 2.8Å; R188-R229 PolarHBondContact O-N 2.7Å; L190-R229 HydrophobicContact CD1-CB 3.97Å; L190-R229 HydrophobicContact CG-CB 4.27Å; R229-V247 WeakPolarHBondContact CA-O 3.27Å; R229-L248 HydrophobicContact CB-CD2 3.74Å; R229-L248 HydrophobicContact CG-CD2 3.76Å |
| 230 | L | 94.5 | Very high | 88.9 | Confident | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 114.8 | 169.1 | -51.2 | 98.2 | 0 | 0 | 0 | 107.8 | L151 F153 V166 L168 V185 L187 L228 R246 V247 F249 | L151-L230 HydrophobicContact CD2-CB 4.01Å; L151-L230 HydrophobicContact CD2-CD2 4.01Å; F153-L230 HydrophobicContact CD2-CD2 4.19Å; F153-L230 HydrophobicContact CE2-CD1 4.04Å; F153-L230 HydrophobicContact CE2-CD2 4.44Å; F153-L230 HydrophobicContact CG-CD2 4.35Å; F153-L230 HydrophobicContact CZ-CD1 4.05Å; V166-L230 HydrophobicContact CG1-CD2 4.27Å; L168-L230 HydrophobicContact CD2-CD2 3.81Å; V185-L230 HydrophobicContact CG1-CB 4.26Å; L187-L230 HydrophobicContact CD2-CD2 4.04Å; L187-L230 HydrophobicContact CG-CD2 4.38Å; L228-L230 HydrophobicContact CD2-CD1 3.94Å; L228-L230 HydrophobicContact CD2-CD2 4.47Å; L228-L230 HydrophobicContact CD2-CG 4.31Å; L228-L230 HydrophobicContact CG-CD1 3.89Å; L228-L230 HydrophobicContact CG-CG 4.18Å; L230-R246 CarbonylContact O-C 3.34Å; L230-R246 VanDerWaalsContact O-CA 3.3Å; L230-R246 WeakPolarHBondContact O-CA 3.49Å; L230-V247 HydrophobicContact CB-CB 4.41Å; L230-V247 HydrophobicContact CD1-CB 4.13Å; L230-V247 HydrophobicContact CD1-CG1 4.28Å; L230-V247 PolarHBondContact N-O 2.91Å; L230-V247 PolarHBondContact O-N 3.28Å; L230-F249 HydrophobicContact CD1-CB 4.42Å |
| 231 | R | 92.8 | Very high | 88.9 | Confident | 50 Ų | 50 | 63.3 Ų | 63.3 | 19% | 0.189 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 129.4 | -177.8 | -173.8 | -173.9 | -163.7 | -149.7 | -2 | 110 | V185 E186 M233 E269 | V185-R231 CarbonylContact C-O 3.58Å; V185-R231 WeakPolarHBondContact CA-O 3.36Å; E186-R231 HydrophobicContact CB-CB 4.3Å; E186-R231 PolarHBondContact N-O 2.83Å; E186-R231 WeakPolarHBondContact O-CB 3.28Å; E186-R231 PolarHBondContact O-N 2.73Å; E186-R231 IonicContact OE2-NH1 2.14Å; R231-M233 HydrophobicContact CG-CG 4.45Å; R231-M233 HydrophobicContact CG-SD 3.95Å; R231-E269 IonicContact CZ-OE1 2.24Å; R231-E269 IonicContact CZ-OE2 2.91Å; R231-E269 VanDerWaalsContact NE-CD 3.31Å; R231-E269 IonicContact NE-OE1 3.28Å; R231-E269 PolarHBondContact NE-OE1 2.81Å; R231-E269 VanDerWaalsContact NE-OE1 3.1Å; R231-E269 IonicContact NE-OE2 3.97Å; R231-E269 PolarHBondContact NE-OE2 3Å; R231-E269 IonicContact NH2-OE2 2.73Å; R231-E269 PolarHBondContact NH2-OE2 2.82Å |
| 232 | M | 93.3 | Very high | 88.8 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 121.7 | -175.2 | -159.5 | 79.3 | -146.1 | 0 | 0 | 110.9 | L151 L171 T183 V185 F210 V244 G245 L266 | L151-M232 HydrophobicContact CD1-SD 4.33Å; L171-M232 HydrophobicContact CD1-CE 3.93Å; L171-M232 HydrophobicContact CD1-CG 4.36Å; L171-M232 HydrophobicContact CD1-SD 3.56Å; L171-M232 VanDerWaalsContact CD1-SD 3.56Å; L171-M232 HydrophobicContact CD2-CE 3.82Å; L171-M232 HydrophobicContact CD2-CG 4.49Å; L171-M232 HydrophobicContact CD2-SD 4.3Å; L171-M232 HydrophobicContact CG-CE 4.39Å; T183-M232 HydrophobicContact CG2-CE 3.15Å; V185-M232 HydrophobicContact CG2-CE 3.73Å; V185-M232 HydrophobicContact CG2-SD 3.68Å; F210-M232 HydrophobicContact CE2-CE 3.99Å; F210-M232 HydrophobicContact CZ-CE 3.69Å; M232-V244 HydrophobicContact CB-CB 3.97Å; M232-V244 HydrophobicContact CG-CB 3.83Å; M232-V244 HydrophobicContact CG-CG1 4.23Å; M232-V244 HydrophobicContact CG-CG2 4.27Å; M232-V244 PolarHBondContact O-N 3.03Å; M232-G245 VanDerWaalsContact CB-O 3.3Å; M232-G245 WeakPolarHBondContact CB-O 3.39Å; M232-G245 PolarHBondContact N-O 2.83Å; M232-L266 HydrophobicContact CB-CD1 3.75Å; M232-L266 HydrophobicContact CB-CD2 4.22Å; M232-L266 HydrophobicContact CG-CD1 3.72Å |
| 233 | M | 92.6 | Very high | 88.8 | Confident | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 133 | -176.5 | -56.9 | -59 | -63.2 | 0 | 0 | 111.9 | L184 E186 R231 R241 H242 A243 | L184-M233 HydrophobicContact CB-CB 4.28Å; L184-M233 HydrophobicContact CD2-CB 4.32Å; L184-M233 PolarHBondContact N-O 2.95Å; L184-M233 PolarHBondContact O-N 2.95Å; E186-M233 HydrophobicContact CG-CG 4.18Å; R231-M233 HydrophobicContact CG-CG 4.45Å; R231-M233 HydrophobicContact CG-SD 3.95Å; M233-R241 HydrophobicContact CE-CB 3.7Å; M233-H242 CarbonylContact C-O 3.53Å; M233-H242 WeakPolarHBondContact CA-O 3.44Å; M233-H242 VanDerWaalsContact CE-C 3.46Å; M233-A243 HydrophobicContact CE-CB 4.46Å; M233-A243 HydrophobicContact SD-CB 4.22Å |
| 234 | S | 91.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 129.1 | 165.7 | 155.8 | 0 | 0 | 0 | 0 | 108.7 | F178 N181 R241 H242 | F178-S234 VanDerWaalsContact CD1-CB 3.41Å; F178-S234 VanDerWaalsContact CD1-OG 3.27Å; F178-S234 WeakPolarHBondContact CD1-OG 3.41Å; N181-S234 WeakPolarHBondContact CB-OG 3.49Å; N181-S234 PolarHBondContact ND2-OG 2.88Å; S234-R241 WeakPolarHBondContact O-CA 3.38Å; S234-H242 PolarHBondContact N-O 3.24Å; S234-H242 PolarHBondContact O-N 3.08Å |
| 235 | V | 90.4 | Very high | 89 | Confident | 14 Ų | 14 | 56.9 Ų | 56.9 | 9% | 0.085 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 114.5 | 177.9 | -169.6 | 0 | 0 | 0 | 0 | 110 | N181 M182 L184 K240 R241 | N181-V235 WeakPolarHBondContact CB-O 3.46Å; M182-V235 HydrophobicContact CB-CB 4.37Å; M182-V235 HydrophobicContact CE-CB 3.87Å; M182-V235 HydrophobicContact CE-CG1 3.96Å; M182-V235 HydrophobicContact CE-CG2 4.04Å; M182-V235 PolarHBondContact N-O 3.35Å; M182-V235 WeakPolarHBondContact O-CB 3.3Å; M182-V235 PolarHBondContact O-N 2.2Å; L184-V235 HydrophobicContact CB-CG2 4.06Å; L184-V235 HydrophobicContact CD2-CG2 4.28Å; V235-K240 WeakPolarHBondContact CA-O 3.48Å; V235-R241 HydrophobicContact CG2-CG 4.3Å |
| 236 | E | 89.7 | Confident | 89.2 | Confident | 55 Ų | 55 | 50.7 Ų | 50.7 | 26% | 0.257 | 24% | 0.239 | S | C | . | . | trans | -72.5 | 163.9 | 176.7 | -71.3 | 175.9 | 168.7 | 0 | 0 | 111.2 | D238 G239 K240 H242 | E236-D238 WeakPolarHBondContact CB-OD1 3.3Å; E236-D238 PolarHBondContact O-N 2.84Å; E236-G239 WeakPolarHBondContact O-CA 3.5Å; E236-G239 PolarHBondContact O-N 3.42Å; E236-K240 HydrophobicContact CB-CB 4.35Å; E236-K240 PolarHBondContact N-O 2.91Å; E236-K240 IonicContact OE1-NZ 3.42Å; E236-K240 IonicContact OE2-NZ 3.99Å; E236-K240 PolarHBondContact OE2-NZ 2.94Å; E236-H242 VanDerWaalsContact CD-CD2 3.41Å; E236-H242 IonicContact OE1-CD2 2.69Å; E236-H242 PolarHBondContact OE1-CD2 2.43Å; E236-H242 VanDerWaalsContact OE1-CD2 3.28Å; E236-H242 IonicContact OE1-NE2 3.29Å; E236-H242 PolarHBondContact OE1-NE2 2.83Å; E236-H242 IonicContact OE2-CD2 3.77Å; E236-H242 IonicContact OE2-NE2 3.53Å; E236-H242 PolarHBondContact OE2-NE2 2.82Å | ||
| 237 | K | 86.3 | Confident | 89.4 | Confident | 201 Ų | 201 | 49.3 Ų | 49.3 | 87% | 0.874 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -17.8 | -173.9 | -66.8 | -179.5 | 179.7 | 176.7 | 0 | 114.2 | G239 | K237-G239 VanDerWaalsContact C-N 3.31Š|
| 238 | D | 84.8 | Confident | 89.4 | Confident | 115 Ų | 115 | 47.7 Ų | 47.7 | 62% | 0.615 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -5.7 | 171.5 | 66.5 | -15.4 | 0 | 0 | 0 | 113.1 | E236 K240 | E236-D238 WeakPolarHBondContact CB-OD1 3.3Å; E236-D238 PolarHBondContact O-N 2.84Å; D238-K240 WeakPolarHBondContact OD1-CB 3.41Å; D238-K240 PolarHBondContact OD1-N 2.73Å; D238-K240 WeakPolarHBondContact OD2-CB 3.44Å |
| 239 | G | 81.3 | Confident | 89.3 | Confident | 47 Ų | 47 | 47.8 Ų | 47.8 | 49% | 0.485 | 23% | 0.23 | S | C | . | . | S | Bend | trans | 91.5 | -0.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | E236 K237 | E236-G239 WeakPolarHBondContact O-CA 3.5Å; E236-G239 PolarHBondContact O-N 3.42Å; K237-G239 VanDerWaalsContact C-N 3.31Å |
| 240 | K | 82.6 | Confident | 89.3 | Confident | 98 Ų | 98 | 46.9 Ų | 46.9 | 43% | 0.426 | 23% | 0.232 | S | C | . | . | trans | -68.9 | 136.1 | 179.6 | -177.9 | 169.2 | 148.2 | -118 | 0 | 111 | V235 E236 D238 H242 | V235-K240 WeakPolarHBondContact CA-O 3.48Å; E236-K240 HydrophobicContact CB-CB 4.35Å; E236-K240 PolarHBondContact N-O 2.91Å; E236-K240 IonicContact OE1-NZ 3.42Å; E236-K240 IonicContact OE2-NZ 3.99Å; E236-K240 PolarHBondContact OE2-NZ 2.94Å; D238-K240 WeakPolarHBondContact OD1-CB 3.41Å; D238-K240 PolarHBondContact OD1-N 2.73Å; D238-K240 WeakPolarHBondContact OD2-CB 3.44Å; K240-H242 WeakPolarHBondContact CE-CE1 3.47Å; K240-H242 WeakPolarHBondContact CE-NE2 3.4Å; K240-H242 PolarHBondContact NZ-CE1 3.36Å; K240-H242 VanDerWaalsContact NZ-CE1 3.27Å; K240-H242 PolarHBondContact NZ-NE2 2.98Å | ||
| 241 | R | 87 | Confident | 89 | Confident | 116 Ų | 116 | 46.9 Ų | 46.9 | 44% | 0.438 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 124.3 | -175.5 | -53.8 | -170.8 | -173.9 | -155.7 | -4.1 | 110.9 | E186 M233 S234 V235 | E186-R241 IonicContact OE1-CZ 3.73Å; E186-R241 IonicContact OE1-NH1 3.36Å; E186-R241 PolarHBondContact OE1-NH1 3.1Å; M233-R241 HydrophobicContact CE-CB 3.7Å; S234-R241 WeakPolarHBondContact O-CA 3.38Å; V235-R241 HydrophobicContact CG2-CG 4.3Å |
| 242 | H | 83.8 | Confident | 88.7 | Confident | 67 Ų | 67 | 50.7 Ų | 50.7 | 31% | 0.31 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 137.5 | 174 | -69.8 | -86.8 | 0 | 0 | 0 | 111.2 | F178 M233 S234 E236 K240 | F178-H242 HydrophobicContact CE1-CB 4.14Å; M233-H242 CarbonylContact C-O 3.53Å; M233-H242 WeakPolarHBondContact CA-O 3.44Å; M233-H242 VanDerWaalsContact CE-C 3.46Å; S234-H242 PolarHBondContact N-O 3.24Å; S234-H242 PolarHBondContact O-N 3.08Å; E236-H242 VanDerWaalsContact CD-CD2 3.41Å; E236-H242 IonicContact OE1-CD2 2.69Å; E236-H242 PolarHBondContact OE1-CD2 2.43Å; E236-H242 VanDerWaalsContact OE1-CD2 3.28Å; E236-H242 IonicContact OE1-NE2 3.29Å; E236-H242 PolarHBondContact OE1-NE2 2.83Å; E236-H242 IonicContact OE2-CD2 3.77Å; E236-H242 IonicContact OE2-NE2 3.53Å; E236-H242 PolarHBondContact OE2-NE2 2.82Å; K240-H242 WeakPolarHBondContact CE-CE1 3.47Å; K240-H242 WeakPolarHBondContact CE-NE2 3.4Å; K240-H242 PolarHBondContact NZ-CE1 3.36Å; K240-H242 VanDerWaalsContact NZ-CE1 3.27Å; K240-H242 PolarHBondContact NZ-NE2 2.98Å |
| 243 | A | 86.9 | Confident | 87.9 | Confident | 17 Ų | 17 | 53.9 Ų | 53.9 | 14% | 0.14 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 132.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | M233 E269 E271 | M233-A243 HydrophobicContact CE-CB 4.46Å; M233-A243 HydrophobicContact SD-CB 4.22Å; A243-E269 HydrophobicContact CB-CB 4.49Å; A243-E269 WeakPolarHBondContact CB-OE2 3.01Å; A243-E271 HydrophobicContact CB-CG 4.37Å |
| 244 | V | 88.7 | Confident | 87.2 | Confident | 17 Ų | 17 | 56.4 Ų | 56.4 | 10% | 0.103 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | -37.4 | 171.5 | -175.3 | 0 | 0 | 0 | 0 | 109.9 | L174 F178 M232 L266 | L174-V244 HydrophobicContact CD1-CG1 3.74Å; L174-V244 HydrophobicContact CD1-CG2 4.49Å; F178-V244 HydrophobicContact CD2-CG1 4.07Å; F178-V244 HydrophobicContact CD2-CG2 3.89Å; F178-V244 HydrophobicContact CE2-CB 4.1Å; F178-V244 HydrophobicContact CE2-CG1 3.89Å; F178-V244 HydrophobicContact CE2-CG2 3.71Å; F178-V244 HydrophobicContact CG-CG2 4.42Å; F178-V244 HydrophobicContact CZ-CG2 4.09Å; M232-V244 HydrophobicContact CB-CB 3.97Å; M232-V244 HydrophobicContact CG-CB 3.83Å; M232-V244 HydrophobicContact CG-CG1 4.23Å; M232-V244 HydrophobicContact CG-CG2 4.27Å; M232-V244 PolarHBondContact O-N 3.03Å; V244-L266 HydrophobicContact CB-CD1 4.44Å; V244-L266 HydrophobicContact CG1-CD1 3.88Å |
| 245 | G | 89.6 | Confident | 86.5 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 162.1 | -170.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | M232 D267 | M232-G245 VanDerWaalsContact CB-O 3.3Å; M232-G245 WeakPolarHBondContact CB-O 3.39Å; M232-G245 PolarHBondContact N-O 2.83Å; G245-D267 CarbonylContact C-O 3.32Å; G245-D267 WeakPolarHBondContact CA-O 3.48Å |
| 246 | R | 92.1 | Very high | 85.2 | Confident | 52 Ų | 52 | 60.8 Ų | 60.8 | 20% | 0.196 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 162.9 | 177.6 | 65.7 | -178.3 | -179.1 | -140.7 | -1.1 | 112.4 | L230 D267 E269 | L230-R246 CarbonylContact O-C 3.34Å; L230-R246 VanDerWaalsContact O-CA 3.3Å; L230-R246 WeakPolarHBondContact O-CA 3.49Å; R246-D267 HydrophobicContact CG-CB 4.05Å; R246-D267 PolarHBondContact N-O 2.89Å; R246-D267 WeakPolarHBondContact O-CB 3.2Å; R246-D267 PolarHBondContact O-N 2.76Å; R246-E269 HydrophobicContact CG-CB 4.34Å |
| 247 | V | 92.8 | Very high | 84 | Confident | 6 Ų | 6 | 62.3 Ų | 62.3 | 4% | 0.036 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 135.2 | 164.6 | -177.3 | 0 | 0 | 0 | 0 | 107.9 | L151 F153 R229 L230 R264 L266 | L151-V247 HydrophobicContact CB-CG2 4.34Å; L151-V247 HydrophobicContact CD2-CG2 4.27Å; F153-V247 HydrophobicContact CE1-CG1 4.29Å; F153-V247 HydrophobicContact CZ-CG1 4.18Å; R229-V247 WeakPolarHBondContact CA-O 3.27Å; L230-V247 HydrophobicContact CB-CB 4.41Å; L230-V247 HydrophobicContact CD1-CB 4.13Å; L230-V247 HydrophobicContact CD1-CG1 4.28Å; L230-V247 PolarHBondContact N-O 2.91Å; L230-V247 PolarHBondContact O-N 3.28Å; V247-R264 HydrophobicContact CG1-CB 3.76Å; V247-R264 HydrophobicContact CG1-CG 3.93Å; V247-R264 HydrophobicContact CG2-CB 4.01Å; V247-L266 HydrophobicContact CG2-CD2 3.76Å |
| 248 | L | 92.1 | Very high | 82.8 | Confident | 80 Ų | 80 | 54.9 Ų | 54.9 | 42% | 0.419 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 114.3 | 168.4 | -67.3 | 173.3 | 0 | 0 | 0 | 108.8 | L190 R229 | L190-L248 HydrophobicContact CD1-CD2 4.28Å; R229-L248 HydrophobicContact CB-CD2 3.74Å; R229-L248 HydrophobicContact CG-CD2 3.76Å |
| 249 | F | 91.2 | Very high | 81.8 | Confident | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.009 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 101.6 | -178.7 | -179.4 | -95.7 | 0 | 0 | 0 | 109.1 | F153 V155 L228 L230 L251 E254 L262 | F153-F249 HydrophobicContact CE2-CD2 4.29Å; F153-F249 HydrophobicContact CE2-CG 4.36Å; F153-F249 HydrophobicContact CZ-CD2 4.23Å; V155-F249 HydrophobicContact CB-CE1 3.93Å; V155-F249 HydrophobicContact CB-CZ 4.21Å; V155-F249 HydrophobicContact CG1-CE1 3.96Å; V155-F249 HydrophobicContact CG2-CD1 4.05Å; V155-F249 HydrophobicContact CG2-CE1 3.76Å; V155-F249 HydrophobicContact CG2-CZ 4.14Å; L228-F249 HydrophobicContact CB-CB 4.32Å; L228-F249 HydrophobicContact CB-CD1 4.34Å; L228-F249 HydrophobicContact CD2-CD1 4.45Å; L228-F249 PolarHBondContact N-O 3Å; L228-F249 PolarHBondContact O-N 2.88Å; L230-F249 HydrophobicContact CD1-CB 4.42Å; F249-L251 HydrophobicContact CD1-CD2 3.79Å; F249-L251 HydrophobicContact CE1-CD2 3.86Å; F249-E254 HydrophobicContact CD2-CB 4.3Å; F249-E254 WeakPolarHBondContact CD2-OE2 3.49Å; F249-E254 HydrophobicContact CE1-CB 4.4Å; F249-E254 HydrophobicContact CE2-CB 3.54Å; F249-E254 HydrophobicContact CE2-CG 4.34Å; F249-E254 WeakPolarHBondContact CE2-OE2 3.39Å; F249-E254 HydrophobicContact CZ-CB 3.6Å; F249-L262 HydrophobicContact CD2-CD1 4.27Å; F249-L262 HydrophobicContact CE2-CD1 3.49Å; F249-L262 VanDerWaalsContact CE2-CD1 3.49Å; F249-L262 HydrophobicContact CZ-CD1 4.02Å |
| 250 | P | 91.3 | Very high | 81.8 | Confident | 43 Ų | 43 | 58.2 Ų | 58.2 | 28% | 0.279 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 136 | 172.2 | -17.7 | 31.5 | 0 | 0 | 0 | 110.1 | K227 E252 | K227-P250 HydrophobicContact CG-CB 4.44Å; P250-E252 VanDerWaalsContact C-N 3.35Å |
| 251 | L | 88.9 | Confident | 82 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -81.1 | -21 | 174.6 | -53.9 | -175.5 | 0 | 0 | 0 | 112 | L164 L189 I218 I223 F226 L228 F249 L255 | L164-L251 HydrophobicContact CD1-CD1 4.29Å; L164-L251 HydrophobicContact CD1-CD2 4.17Å; L164-L251 HydrophobicContact CD2-CD1 3.74Å; L164-L251 HydrophobicContact CD2-CD2 3.92Å; L189-L251 HydrophobicContact CD2-CD1 4.07Å; I218-L251 HydrophobicContact CD1-CD1 3.67Å; I223-L251 HydrophobicContact CG2-CB 3.73Å; F226-L251 HydrophobicContact CB-CD1 3.79Å; F226-L251 HydrophobicContact CB-CG 4.41Å; F226-L251 WeakPolarHBondContact O-CB 3.44Å; F226-L251 WeakPolarHBondContact O-CG 3.48Å; F226-L251 PolarHBondContact O-N 2.97Å; F226-L251 VanDerWaalsContact O-N 3.11Å; L228-L251 HydrophobicContact CB-CD2 4.15Å; F249-L251 HydrophobicContact CD1-CD2 3.79Å; F249-L251 HydrophobicContact CE1-CD2 3.86Å; L251-L255 HydrophobicContact CD2-CD1 4.49Å; L251-L255 WeakPolarHBondContact O-CB 3.47Å |
| 252 | E | 85.1 | Confident | 82.2 | Confident | 130 Ų | 130 | 52.7 Ų | 52.7 | 61% | 0.607 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | 132.5 | 167.8 | -162.6 | 168.8 | -138.2 | 0 | 0 | 111 | P224 P250 E254 | P224-E252 HydrophobicContact CB-CB 4.21Å; P224-E252 HydrophobicContact CB-CG 4Å; P224-E252 WeakPolarHBondContact CB-OE1 3.26Å; P250-E252 VanDerWaalsContact C-N 3.35Å; E252-E254 PolarHBondContact O-N 2.94Å |
| 253 | G | 76.8 | Confident | 82.5 | Confident | 69 Ų | 69 | 54.2 Ų | 54.2 | 71% | 0.711 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.5 | -56.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | L255 G256 | G253-L255 PolarHBondContact O-N 2.88Å; G253-G256 PolarHBondContact O-N 3.2Å; G253-G256 VanDerWaalsContact O-N 3.13Å |
| 254 | E | 77.5 | Confident | 82.7 | Confident | 54 Ų | 54 | 57.2 Ų | 57.2 | 25% | 0.252 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -67.5 | -21.9 | -173.2 | -55.8 | -134.7 | 133.6 | 0 | 0 | 113.2 | F249 E252 G256 Q257 R264 | F249-E254 HydrophobicContact CD2-CB 4.3Å; F249-E254 WeakPolarHBondContact CD2-OE2 3.49Å; F249-E254 HydrophobicContact CE1-CB 4.4Å; F249-E254 HydrophobicContact CE2-CB 3.54Å; F249-E254 HydrophobicContact CE2-CG 4.34Å; F249-E254 WeakPolarHBondContact CE2-OE2 3.39Å; F249-E254 HydrophobicContact CZ-CB 3.6Å; E252-E254 PolarHBondContact O-N 2.94Å; E254-G256 PolarHBondContact O-N 3.01Å; E254-G256 VanDerWaalsContact O-N 3.12Å; E254-Q257 WeakPolarHBondContact O-CB 3.29Å; E254-Q257 PolarHBondContact O-N 3.06Å; E254-R264 IonicContact OE1-CZ 2.8Å; E254-R264 IonicContact OE1-NH2 2.72Å; E254-R264 PolarHBondContact OE1-NH2 3.09Å; E254-R264 IonicContact OE2-CZ 3.25Å; E254-R264 IonicContact OE2-NE 3.86Å; E254-R264 IonicContact OE2-NH2 2.69Å; E254-R264 PolarHBondContact OE2-NH2 3.22Å |
| 255 | L | 76.9 | Confident | 82.8 | Confident | 31 Ų | 31 | 59.7 Ų | 59.7 | 16% | 0.162 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -64 | -13 | 174.9 | -153.8 | 101.5 | 0 | 0 | 0 | 113.4 | V155 L164 I223 L251 G253 Q257 A258 | V155-L255 HydrophobicContact CG1-CD1 4.17Å; L164-L255 HydrophobicContact CD1-CD1 3.74Å; I223-L255 HydrophobicContact CD1-CD2 4.48Å; L251-L255 HydrophobicContact CD2-CD1 4.49Å; L251-L255 WeakPolarHBondContact O-CB 3.47Å; G253-L255 PolarHBondContact O-N 2.88Å; L255-Q257 PolarHBondContact O-N 3.45Å; L255-Q257 VanDerWaalsContact O-N 3.16Å; L255-A258 WeakPolarHBondContact O-CB 3.27Å; L255-A258 PolarHBondContact O-N 2.89Å |
| 256 | G | 64.3 | Low | 82.8 | Confident | 76 Ų | 76 | 60.6 Ų | 60.6 | 78% | 0.784 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -62.2 | -13.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 114 | G253 E254 | G253-G256 PolarHBondContact O-N 3.2Å; G253-G256 VanDerWaalsContact O-N 3.13Å; E254-G256 PolarHBondContact O-N 3.01Å; E254-G256 VanDerWaalsContact O-N 3.12Å |
| 257 | Q | 64.1 | Low | 82.5 | Confident | 86 Ų | 86 | 61.9 Ų | 61.9 | 40% | 0.402 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -94.4 | 12.5 | 172.1 | -51.6 | -173 | 16 | 0 | 0 | 112.8 | E254 L255 R260 L262 | E254-Q257 WeakPolarHBondContact O-CB 3.29Å; E254-Q257 PolarHBondContact O-N 3.06Å; L255-Q257 PolarHBondContact O-N 3.45Å; L255-Q257 VanDerWaalsContact O-N 3.16Å; Q257-R260 VanDerWaalsContact O-CB 3.27Å; Q257-R260 WeakPolarHBondContact O-CB 3.46Å; Q257-R260 WeakPolarHBondContact O-CG 3.48Å; Q257-R260 PolarHBondContact O-N 2.96Å; Q257-R260 VanDerWaalsContact O-N 3.12Å; Q257-L262 HydrophobicContact CB-CD2 4.13Å; Q257-L262 VanDerWaalsContact OE1-CD2 3.27Å |
| 258 | A | 60.7 | Low | 81.8 | Confident | 46 Ų | 46 | 66.8 Ų | 66.8 | 38% | 0.38 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | 141 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | V155 L255 R260 | V155-A258 VanDerWaalsContact O-CA 3.27Å; V155-A258 WeakPolarHBondContact O-CA 3.16Å; L255-A258 WeakPolarHBondContact O-CB 3.27Å; L255-A258 PolarHBondContact O-N 2.89Å; A258-R260 PolarHBondContact O-N 3.09Å |
| 259 | G | 65.1 | Low | 80.5 | Confident | 52 Ų | 52 | 63.9 Ų | 63.9 | 54% | 0.536 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | -7.4 | -178 | 0 | 0 | 0 | 0 | 0 | 115.1 | V155 | V155-G259 PolarHBondContact O-N 2.82Š|
| 260 | R | 80.6 | Confident | 78.6 | Confident | 179 Ų | 179 | 69.4 Ų | 69.4 | 68% | 0.675 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -83.6 | 151.1 | 172 | -58.6 | -177.8 | 178.8 | -87.2 | -2.5 | 111.1 | S154 Q257 A258 | S154-R260 WeakPolarHBondContact CB-O 3.49Å; Q257-R260 VanDerWaalsContact O-CB 3.27Å; Q257-R260 WeakPolarHBondContact O-CB 3.46Å; Q257-R260 WeakPolarHBondContact O-CG 3.48Å; Q257-R260 PolarHBondContact O-N 2.96Å; Q257-R260 VanDerWaalsContact O-N 3.12Å; A258-R260 PolarHBondContact O-N 3.09Å |
| 261 | V | 87.7 | Confident | 76.5 | Confident | 86 Ų | 86 | 70.4 Ų | 70.4 | 52% | 0.521 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 121.7 | 171.3 | 177.5 | 0 | 0 | 0 | 0 | 109 | C152 L169 | C152-V261 WeakPolarHBondContact SG-CG1 3.18Å; L169-V261 HydrophobicContact CD1-CB 4.36Å; L169-V261 HydrophobicContact CD1-CG1 3.76Å; L169-V261 HydrophobicContact CD1-CG2 3.83Å |
| 262 | L | 89.7 | Confident | 74.3 | Confident | 12 Ų | 12 | 75.1 Ų | 75.1 | 6% | 0.063 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 139.8 | -179.3 | -52.8 | -179.6 | 0 | 0 | 0 | 110 | C152 F153 F249 Q257 | C152-L262 WeakPolarHBondContact CA-O 3.46Å; F153-L262 HydrophobicContact CE2-CD1 4.35Å; F153-L262 PolarHBondContact N-O 3.28Å; F153-L262 WeakPolarHBondContact O-CA 3.19Å; F153-L262 WeakPolarHBondContact O-CB 3.25Å; F153-L262 PolarHBondContact O-N 2.24Å; F249-L262 HydrophobicContact CD2-CD1 4.27Å; F249-L262 HydrophobicContact CE2-CD1 3.49Å; F249-L262 VanDerWaalsContact CE2-CD1 3.49Å; F249-L262 HydrophobicContact CZ-CD1 4.02Å; Q257-L262 HydrophobicContact CB-CD2 4.13Å; Q257-L262 VanDerWaalsContact OE1-CD2 3.27Å |
| 263 | W | 90.6 | Very high | 72.4 | Confident | 99 Ų | 99 | 74.2 Ų | 74.2 | 38% | 0.375 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 126.6 | 166.6 | -74 | 91.7 | 0 | 0 | 0 | 108.9 | R150 L151 C152 R170 | R150-W263 HydrophobicContact CB-CE3 3.75Å; R150-W263 HydrophobicContact CB-CZ3 4.05Å; L151-W263 WeakPolarHBondContact O-CA 3.08Å; C152-W263 HydrophobicContact CB-CD2 3.85Å; C152-W263 HydrophobicContact CB-CE3 3.74Å; C152-W263 HydrophobicContact CB-CH2 3.67Å; C152-W263 HydrophobicContact CB-CZ2 3.71Å; C152-W263 HydrophobicContact CB-CZ3 3.66Å; R170-W263 HydrophobicContact CG-CH2 3.94Å; R170-W263 HydrophobicContact CG-CZ2 4.47Å |
| 264 | R | 91.1 | Very high | 71.1 | Confident | 80 Ų | 80 | 72.9 Ų | 72.9 | 30% | 0.302 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 135.5 | 173.8 | -63.9 | -62.4 | -168.6 | -168.4 | 7.4 | 110.2 | R150 L151 F153 V247 E254 | R150-R264 CarbonylContact C-O 3.54Å; R150-R264 WeakPolarHBondContact CA-O 3.46Å; L151-R264 PolarHBondContact N-O 2.9Å; L151-R264 PolarHBondContact O-N 3.22Å; F153-R264 HydrophobicContact CE1-CB 4.08Å; F153-R264 HydrophobicContact CE1-CG 3.77Å; F153-R264 HydrophobicContact CZ-CG 4.03Å; V247-R264 HydrophobicContact CG1-CB 3.76Å; V247-R264 HydrophobicContact CG1-CG 3.93Å; V247-R264 HydrophobicContact CG2-CB 4.01Å; E254-R264 IonicContact OE1-CZ 2.8Å; E254-R264 IonicContact OE1-NH2 2.72Å; E254-R264 PolarHBondContact OE1-NH2 3.09Å; E254-R264 IonicContact OE2-CZ 3.25Å; E254-R264 IonicContact OE2-NE 3.86Å; E254-R264 IonicContact OE2-NH2 2.69Å; E254-R264 PolarHBondContact OE2-NH2 3.22Å |
| 265 | D | 90.9 | Very high | 70.2 | Confident | 69 Ų | 69 | 71.9 Ų | 71.9 | 37% | 0.369 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 142.9 | 173 | -61.9 | 29.8 | 0 | 0 | 0 | 108.1 | A148 R150 D267 | A148-D265 HydrophobicContact CB-CB 4.16Å; R150-D265 IonicContact CZ-OD1 2.71Å; R150-D265 IonicContact CZ-OD2 3.68Å; R150-D265 VanDerWaalsContact NE-CG 3.31Å; R150-D265 IonicContact NE-OD1 3.93Å; R150-D265 PolarHBondContact NE-OD1 2.14Å; R150-D265 IonicContact NE-OD2 2.7Å; R150-D265 PolarHBondContact NE-OD2 2.52Å; R150-D265 IonicContact NH2-OD1 3.4Å; R150-D265 PolarHBondContact NH2-OD1 3.42Å; R150-D265 IonicContact NH2-OD2 3.5Å; R150-D265 PolarHBondContact NH2-OD2 3.12Å; D265-D267 PolarHBondContact O-N 3.27Å |
| 266 | L | 90.2 | Very high | 69.6 | Low | 20 Ų | 20 | 76 Ų | 76 | 11% | 0.105 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -74.9 | 118 | 175.6 | -66 | -173.2 | 0 | 0 | 0 | 109.5 | T149 L151 L171 M232 V244 V247 | T149-L266 HydrophobicContact CG2-CD1 3.59Å; T149-L266 HydrophobicContact CG2-CG 4.19Å; T149-L266 PolarHBondContact O-N 2.84Å; L151-L266 HydrophobicContact CB-CD2 4.18Å; L171-L266 HydrophobicContact CD1-CD1 4.37Å; M232-L266 HydrophobicContact CB-CD1 3.75Å; M232-L266 HydrophobicContact CB-CD2 4.22Å; M232-L266 HydrophobicContact CG-CD1 3.72Å; V244-L266 HydrophobicContact CB-CD1 4.44Å; V244-L266 HydrophobicContact CG1-CD1 3.88Å; V247-L266 HydrophobicContact CG2-CD2 3.76Å |
| 267 | D | 86.1 | Confident | 70.2 | Confident | 78 Ų | 78 | 74.1 Ų | 74.1 | 42% | 0.417 | 39% | 0.389 | S | S | . | . | B | Isolated β-bridge | trans | -56.6 | 135.9 | 161.8 | -66.9 | -44.5 | 0 | 0 | 0 | 108.2 | G245 R246 D265 E269 | G245-D267 CarbonylContact C-O 3.32Å; G245-D267 WeakPolarHBondContact CA-O 3.48Å; R246-D267 HydrophobicContact CG-CB 4.05Å; R246-D267 PolarHBondContact N-O 2.89Å; R246-D267 WeakPolarHBondContact O-CB 3.2Å; R246-D267 PolarHBondContact O-N 2.76Å; D265-D267 PolarHBondContact O-N 3.27Å; D267-E269 PolarHBondContact O-N 2.94Å |
| 268 | P | 76.4 | Confident | 71.2 | Confident | 110 Ų | 110 | 70 Ų | 70 | 71% | 0.714 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 118.3 | 165.8 | 26.6 | -32.5 | 0 | 0 | 0 | 107.3 | E270 | P268-E270 PolarHBondContact O-N 3.12Š|
| 269 | E | 65.7 | Low | 72.5 | Confident | 19 Ų | 19 | 68 Ų | 68 | 9% | 0.089 | 35% | 0.353 | C | S | . | . | trans | -70.2 | 110.7 | 176.3 | -175.7 | 170.3 | -112.4 | 0 | 0 | 107.6 | R231 A243 R246 D267 E271 | R231-E269 IonicContact CZ-OE1 2.24Å; R231-E269 IonicContact CZ-OE2 2.91Å; R231-E269 VanDerWaalsContact NE-CD 3.31Å; R231-E269 IonicContact NE-OE1 3.28Å; R231-E269 PolarHBondContact NE-OE1 2.81Å; R231-E269 VanDerWaalsContact NE-OE1 3.1Å; R231-E269 IonicContact NE-OE2 3.97Å; R231-E269 PolarHBondContact NE-OE2 3Å; R231-E269 IonicContact NH2-OE2 2.73Å; R231-E269 PolarHBondContact NH2-OE2 2.82Å; A243-E269 HydrophobicContact CB-CB 4.49Å; A243-E269 WeakPolarHBondContact CB-OE2 3.01Å; R246-E269 HydrophobicContact CG-CB 4.34Å; D267-E269 PolarHBondContact O-N 2.94Å; E269-E271 VanDerWaalsContact C-N 3.26Å; E269-E271 PolarHBondContact O-N 2.92Å | ||
| 270 | E | 51.6 | Low | 73.8 | Confident | 118 Ų | 118 | 65.6 Ų | 65.6 | 55% | 0.551 | 33% | 0.328 | S | S | * | . | trans | -52.3 | 99.4 | 160.1 | -72.4 | -170.1 | 171.4 | 0 | 0 | 107.2 | P268 T272 | P268-E270 PolarHBondContact O-N 3.12Å; E270-T272 PolarHBondContact O-N 2.92Å; E270-T272 PolarHBondContact O-OG1 3.37Å; E270-T272 VanDerWaalsContact O-OG1 3.04Å | ||
| 271 | E | 46.5 | Very low | 74.5 | Confident | 64 Ų | 64 | 59.4 Ų | 59.4 | 30% | 0.299 | 31% | 0.307 | S | S | . | . | trans | -58.8 | 101.6 | -170.6 | -78.9 | -173.6 | 121.6 | 0 | 0 | 109 | A243 E269 Q273 R411 | A243-E271 HydrophobicContact CB-CG 4.37Å; E269-E271 VanDerWaalsContact C-N 3.26Å; E269-E271 PolarHBondContact O-N 2.92Å; E271-Q273 CarbonylContact O-C 3.54Å; E271-Q273 PolarHBondContact O-N 3.24Å; E271-Q273 VanDerWaalsContact O-N 3.08Å; E271-Q273 VanDerWaalsContact O-O 3.1Å; E271-R411 IonicContact OE2-CZ 3.61Å; E271-R411 IonicContact OE2-NH1 3.34Å; E271-R411 PolarHBondContact OE2-NH1 2.83Å; E271-R411 IonicContact OE2-NH2 2.76Å; E271-R411 PolarHBondContact OE2-NH2 2.96Å | ||
| 272 | T | 42.9 | Very low | 74.9 | Confident | 99 Ų | 99 | 55.3 Ų | 55.3 | 61% | 0.607 | 28% | 0.282 | S | S | * | . | trans | -76.8 | 6.5 | -178.2 | -27.4 | 0 | 0 | 0 | 0 | 111.4 | E270 C274 | E270-T272 PolarHBondContact O-N 2.92Å; E270-T272 PolarHBondContact O-OG1 3.37Å; E270-T272 VanDerWaalsContact O-OG1 3.04Å; T272-C274 VanDerWaalsContact C-N 3.34Å; T272-C274 PolarHBondContact O-N 2.79Å | ||
| 273 | Q | 45.9 | Very low | 75.2 | Confident | 111 Ų | 111 | 55 Ų | 55 | 52% | 0.519 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -71.3 | 94.3 | 148.7 | -64.4 | -179 | 16.4 | 0 | 0 | 107.7 | E271 R411 | E271-Q273 CarbonylContact O-C 3.54Å; E271-Q273 PolarHBondContact O-N 3.24Å; E271-Q273 VanDerWaalsContact O-N 3.08Å; E271-Q273 VanDerWaalsContact O-O 3.1Å; Q273-R411 PolarHBondContact O-NH2 3.49Å |
| 274 | C | 49.6 | Very low | 75.4 | Confident | 42 Ų | 42 | 50.3 Ų | 50.3 | 28% | 0.284 | 26% | 0.263 | S | S | . | . | trans | -49.4 | 148.9 | 159.7 | -60.3 | 0 | 0 | 0 | 0 | 109.3 | T272 D279 | T272-C274 VanDerWaalsContact C-N 3.34Å; T272-C274 PolarHBondContact O-N 2.79Å; C274-D279 WeakPolarHBondContact CA-OD1 3.33Å | ||
| 275 | S | 58.6 | Low | 75.6 | Confident | 32 Ų | 32 | 47.3 Ų | 47.3 | 22% | 0.224 | 25% | 0.254 | C | S | . | . | trans | -52.7 | 161.2 | 170.6 | -142.9 | 0 | 0 | 0 | 0 | 111 | L277 G278 D279 L412 | S275-L277 PolarHBondContact O-N 2.91Å; S275-G278 WeakPolarHBondContact CB-O 2.99Å; S275-G278 PolarHBondContact O-N 3.26Å; S275-D279 PolarHBondContact N-OD1 3.39Å; S275-L412 PolarHBondContact OG-O 3.32Å | ||
| 276 | E | 64.3 | Low | 75.8 | Confident | 118 Ų | 118 | 44.2 Ų | 44.2 | 55% | 0.551 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -21.9 | 175 | -64.3 | -175.2 | 147.4 | 0 | 0 | 113.4 | Q304 R414 | E276-Q304 WeakPolarHBondContact O-CG 3.34Å; E276-Q304 PolarHBondContact O-NE2 3.34Å; E276-R414 IonicContact OE1-NH2 3.79Å; E276-R414 IonicContact OE2-CZ 2.74Å; E276-R414 IonicContact OE2-NE 4Å; E276-R414 PolarHBondContact OE2-NE 3.11Å; E276-R414 IonicContact OE2-NH2 3.1Å; E276-R414 PolarHBondContact OE2-NH2 3.1Å |
| 277 | L | 76.2 | Confident | 76 | Confident | 37 Ų | 37 | 43.7 Ų | 43.7 | 19% | 0.194 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | 2 | -179.2 | -53.9 | 172.3 | 0 | 0 | 0 | 113 | S275 L303 L376 L412 G413 R414 | S275-L277 PolarHBondContact O-N 2.91Å; L277-L303 VanDerWaalsContact O-CD2 3.32Å; L277-L303 WeakPolarHBondContact O-CD2 3.4Å; L277-L376 WeakPolarHBondContact CD1-O 3.48Å; L277-L412 HydrophobicContact CB-CB 3.91Å; L277-G413 WeakPolarHBondContact CD1-O 3.43Å; L277-R414 HydrophobicContact CD1-CB 4.35Å; L277-R414 HydrophobicContact CD1-CG 3.78Å |
| 278 | G | 85.2 | Confident | 76.2 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | trans | 89.8 | 177.9 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | S275 R301 G302 L412 | S275-G278 WeakPolarHBondContact CB-O 2.99Å; S275-G278 PolarHBondContact O-N 3.26Å; G278-R301 VanDerWaalsContact CA-O 3.27Å; G278-R301 WeakPolarHBondContact CA-O 3.41Å; G278-G302 VanDerWaalsContact CA-O 3.29Å; G278-G302 WeakPolarHBondContact CA-O 3.48Å; G278-L412 WeakPolarHBondContact O-CB 3.4Å; G278-L412 PolarHBondContact O-N 2.99Å; G278-L412 VanDerWaalsContact O-N 3.12Å | ||
| 279 | D | 88.8 | Confident | 76.9 | Confident | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 153.4 | 175.1 | -51 | -26.3 | 0 | 0 | 0 | 110.6 | C274 S275 A300 R301 W409 H410 R411 | C274-D279 WeakPolarHBondContact CA-OD1 3.33Å; S275-D279 PolarHBondContact N-OD1 3.39Å; D279-A300 CarbonylContact O-C 3.59Å; D279-A300 WeakPolarHBondContact O-CA 3.46Å; D279-A300 WeakPolarHBondContact O-CB 3.43Å; D279-R301 HydrophobicContact CB-CG 3.97Å; D279-R301 PolarHBondContact N-O 3.34Å; D279-R301 PolarHBondContact O-N 2.92Å; D279-R301 IonicContact OD2-CZ 3.45Å; D279-R301 VanDerWaalsContact OD2-CZ 3.25Å; D279-R301 IonicContact OD2-NE 2.75Å; D279-R301 PolarHBondContact OD2-NE 3.21Å; D279-R301 IonicContact OD2-NH2 2.81Å; D279-R301 PolarHBondContact OD2-NH2 3.14Å; D279-W409 HydrophobicContact CB-CE3 3.96Å; D279-W409 HydrophobicContact CB-CZ3 4.45Å; D279-H410 CarbonylContact C-O 3.53Å; D279-H410 WeakPolarHBondContact CA-O 3.44Å; D279-R411 WeakPolarHBondContact OD1-CG 3.39Å |
| 280 | V | 91.9 | Very high | 78.1 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 136 | 173.7 | 62.7 | 0 | 0 | 0 | 0 | 111.6 | I282 V297 F360 L379 H410 L412 | V280-I282 HydrophobicContact CG1-CD1 3.89Å; V280-I282 HydrophobicContact CG1-CG1 4.09Å; V280-I282 HydrophobicContact CG2-CD1 4.47Å; V280-I282 HydrophobicContact CG2-CG1 3.99Å; V280-V297 HydrophobicContact CG2-CG1 3.89Å; V280-F360 HydrophobicContact CB-CZ 4.16Å; V280-F360 HydrophobicContact CG1-CE1 4.18Å; V280-F360 HydrophobicContact CG1-CE2 4.43Å; V280-F360 HydrophobicContact CG1-CZ 4.05Å; V280-F360 HydrophobicContact CG2-CE2 3.9Å; V280-F360 HydrophobicContact CG2-CZ 3.69Å; V280-L379 HydrophobicContact CG1-CD2 3.96Å; V280-H410 HydrophobicContact CG1-CB 4.24Å; V280-H410 PolarHBondContact N-O 3.35Å; V280-H410 PolarHBondContact O-N 2.87Å; V280-L412 HydrophobicContact CB-CD2 4.35Å; V280-L412 HydrophobicContact CG1-CD2 3.84Å; V280-L412 HydrophobicContact CG1-CG 4.48Å |
| 281 | Q | 94.3 | Very high | 80.1 | Confident | 50 Ų | 50 | 44 Ų | 44 | 23% | 0.234 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 118.8 | 171.6 | -161.6 | -178.6 | 67.1 | 0 | 0 | 110.4 | L298 G299 M408 W409 | Q281-L298 HydrophobicContact CB-CB 4.33Å; Q281-L298 HydrophobicContact CG-CD1 4.14Å; Q281-L298 PolarHBondContact O-N 2.96Å; Q281-G299 PolarHBondContact N-O 3.12Å; Q281-M408 WeakPolarHBondContact CA-O 3.27Å; Q281-W409 HydrophobicContact CB-CD2 3.81Å; Q281-W409 HydrophobicContact CB-CE3 3.68Å; Q281-W409 HydrophobicContact CB-CH2 3.81Å; Q281-W409 HydrophobicContact CB-CZ2 3.95Å; Q281-W409 HydrophobicContact CB-CZ3 3.67Å; Q281-W409 HydrophobicContact CG-CD2 4.08Å; Q281-W409 HydrophobicContact CG-CE3 4.45Å; Q281-W409 HydrophobicContact CG-CG 4.45Å; Q281-W409 HydrophobicContact CG-CZ2 4.31Å |
| 282 | I | 95.9 | Very high | 82.4 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 138.6 | -178.3 | -60.4 | 178.5 | 0 | 0 | 0 | 108.8 | V280 L284 L295 F360 L379 L381 H394 R407 M408 | V280-I282 HydrophobicContact CG1-CD1 3.89Å; V280-I282 HydrophobicContact CG1-CG1 4.09Å; V280-I282 HydrophobicContact CG2-CD1 4.47Å; V280-I282 HydrophobicContact CG2-CG1 3.99Å; I282-L284 HydrophobicContact CG2-CG 4.39Å; I282-L295 HydrophobicContact CG2-CD1 3.7Å; I282-L295 HydrophobicContact CG2-CD2 4.24Å; I282-L295 HydrophobicContact CG2-CG 3.73Å; I282-F360 HydrophobicContact CD1-CD2 3.8Å; I282-F360 HydrophobicContact CD1-CE2 4.13Å; I282-F360 HydrophobicContact CD1-CG 4.35Å; I282-L379 HydrophobicContact CD1-CD2 3.53Å; I282-L381 HydrophobicContact CD1-CD1 4.01Å; I282-L381 HydrophobicContact CG2-CD1 4.13Å; I282-H394 WeakPolarHBondContact CB-CE1 3.4Å; I282-H394 WeakPolarHBondContact CG2-CE1 3.48Å; I282-H394 PolarHBondContact O-CE1 3.3Å; I282-R407 WeakPolarHBondContact O-CA 3.44Å; I282-M408 PolarHBondContact N-O 3.37Å; I282-M408 PolarHBondContact O-N 3.04Å |
| 283 | S | 96.4 | Very high | 84.9 | Confident | 5 Ų | 5 | 41.6 Ų | 41.6 | 4% | 0.035 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 135 | 165.1 | -169 | 0 | 0 | 0 | 0 | 110.7 | L295 V296 H394 V406 | S283-L295 CarbonylContact O-C 3.58Å; S283-L295 VanDerWaalsContact O-CA 3.29Å; S283-L295 WeakPolarHBondContact O-CA 3.21Å; S283-V296 PolarHBondContact N-O 2.99Å; S283-V296 PolarHBondContact O-N 2.91Å; S283-H394 PolarHBondContact N-CE1 3.43Å; S283-V406 CarbonylContact C-O 3.49Å; S283-V406 WeakPolarHBondContact CA-O 3.47Å; S283-V406 PolarHBondContact OG-O 3.21Å |
| 284 | L | 95.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 142.9 | 176.7 | -76.5 | -175.8 | 0 | 0 | 0 | 110 | I282 L293 L295 L358 L381 H394 W395 M398 P405 V406 | I282-L284 HydrophobicContact CG2-CG 4.39Å; L284-L293 HydrophobicContact CD2-CD1 4.42Å; L284-L295 HydrophobicContact CD2-CB 3.96Å; L284-L295 HydrophobicContact CD2-CD1 3.84Å; L284-L295 HydrophobicContact CD2-CG 4.02Å; L284-L358 HydrophobicContact CD2-CD1 3.87Å; L284-L381 HydrophobicContact CD1-CD1 4.07Å; L284-L381 HydrophobicContact CG-CD1 4.5Å; L284-H394 HydrophobicContact CD1-CB 4.48Å; L284-H394 PolarHBondContact N-NE2 3.03Å; L284-H394 VanDerWaalsContact N-NE2 3.11Å; L284-W395 HydrophobicContact CD1-CE3 4.39Å; L284-M398 HydrophobicContact CB-CB 3.99Å; L284-M398 HydrophobicContact CB-CG 3.87Å; L284-M398 HydrophobicContact CB-SD 3.75Å; L284-M398 HydrophobicContact CD1-CB 4.48Å; L284-M398 HydrophobicContact CD1-SD 3.95Å; L284-M398 HydrophobicContact CD2-SD 4.23Å; L284-M398 HydrophobicContact CG-SD 4.21Å; L284-P405 CarbonylContact O-C 3.55Å; L284-P405 WeakPolarHBondContact O-CA 3.07Å; L284-V406 PolarHBondContact N-O 3.02Å; L284-V406 PolarHBondContact O-N 2.9Å |
| 285 | S | 95.1 | Very high | 89.4 | Confident | 17 Ų | 17 | 35.1 Ų | 35.1 | 12% | 0.119 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 135.5 | 170.2 | 41 | 0 | 0 | 0 | 0 | 109.3 | S294 E404 | S285-S294 PolarHBondContact N-O 3.01Å; S285-S294 PolarHBondContact O-N 2.92Å; S285-S294 WeakPolarHBondContact OG-CB 3.49Å; S285-S294 PolarHBondContact OG-O 2.79Å; S285-E404 WeakPolarHBondContact CB-O 3.36Å |
| 286 | Y | 95.2 | Very high | 91.1 | Very high | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 139.9 | 172.6 | -172.8 | -106.7 | 0 | 0 | 0 | 111.2 | S288 R292 L293 L348 P350 L353 Q403 | Y286-S288 VanDerWaalsContact CE1-CA 3.47Å; Y286-S288 WeakPolarHBondContact CE1-OG 3.32Å; Y286-R292 WeakPolarHBondContact CD2-O 3.25Å; Y286-L293 HydrophobicContact CD2-CB 4.04Å; Y286-L293 HydrophobicContact CE2-CB 4.44Å; Y286-L348 HydrophobicContact CE2-CB 4.31Å; Y286-L348 WeakPolarHBondContact CE2-O 3.47Å; Y286-L348 PolarHBondContact OH-O 2.84Å; Y286-P350 WeakPolarHBondContact OH-CD 3.23Å; Y286-L353 HydrophobicContact CD1-CD1 4.22Å; Y286-L353 HydrophobicContact CD1-CD2 4.34Å; Y286-L353 HydrophobicContact CD2-CD2 4.11Å; Y286-L353 HydrophobicContact CE1-CD1 3.78Å; Y286-L353 HydrophobicContact CE1-CD2 4.24Å; Y286-L353 HydrophobicContact CE1-CG 4.43Å; Y286-L353 HydrophobicContact CE2-CD2 4.02Å; Y286-L353 HydrophobicContact CG-CD2 4.28Å; Y286-Q403 PolarHBondContact O-N 3.33Å |
| 287 | S | 93.8 | Very high | 92.6 | Very high | 9 Ų | 9 | 28.8 Ų | 28.8 | 6% | 0.063 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 95.6 | 179.6 | -170.3 | 0 | 0 | 0 | 0 | 109.1 | S289 L290 Q291 R292 Q403 | S287-S289 VanDerWaalsContact C-N 3.33Å; S287-S289 PolarHBondContact O-N 3Å; S287-L290 CarbonylContact O-C 3.3Å; S287-L290 PolarHBondContact O-N 2.91Å; S287-Q291 WeakPolarHBondContact O-CA 3.5Å; S287-Q291 PolarHBondContact O-N 2.87Å; S287-R292 PolarHBondContact N-O 2.86Å; S287-R292 PolarHBondContact O-N 2.79Å; S287-Q403 VanDerWaalsContact OG-CD 3.3Å; S287-Q403 PolarHBondContact OG-NE2 3.04Å; S287-Q403 VanDerWaalsContact OG-NE2 3.12Å; S287-Q403 PolarHBondContact OG-OE1 3Å |
| 288 | S | 90.6 | Very high | 93.4 | Very high | 58 Ų | 58 | 28.5 Ų | 28.5 | 41% | 0.406 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -40 | -174.9 | -44.7 | 0 | 0 | 0 | 0 | 112.5 | Y286 L290 Q291 | Y286-S288 VanDerWaalsContact CE1-CA 3.47Å; Y286-S288 WeakPolarHBondContact CE1-OG 3.32Å; S288-L290 VanDerWaalsContact C-N 3.34Å; S288-L290 PolarHBondContact O-N 2.91Å; S288-Q291 PolarHBondContact O-N 2.96Å |
| 289 | S | 90.4 | Very high | 93.6 | Very high | 95 Ų | 95 | 28.9 Ų | 28.9 | 66% | 0.664 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -37.2 | 176.3 | 48.8 | 0 | 0 | 0 | 0 | 113 | S287 Q403 | S287-S289 VanDerWaalsContact C-N 3.33Å; S287-S289 PolarHBondContact O-N 3Å; S289-Q403 PolarHBondContact OG-NE2 3.37Å |
| 290 | L | 91.8 | Very high | 93.7 | Very high | 108 Ų | 108 | 29 Ų | 29 | 57% | 0.565 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -0.2 | 177.5 | -59.5 | -178.9 | 0 | 0 | 0 | 113.4 | S287 S288 R292 | S287-L290 CarbonylContact O-C 3.3Å; S287-L290 PolarHBondContact O-N 2.91Å; S288-L290 VanDerWaalsContact C-N 3.34Å; S288-L290 PolarHBondContact O-N 2.91Å; L290-R292 HydrophobicContact CB-CB 3.94Å; L290-R292 PolarHBondContact O-N 2.86Å |
| 291 | Q | 93.4 | Very high | 93.4 | Very high | 71 Ų | 71 | 31.3 Ų | 31.3 | 33% | 0.332 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.2 | 44.5 | -171 | -57.6 | -176.8 | -8.4 | 0 | 0 | 111.9 | S287 S288 K347 L348 | S287-Q291 WeakPolarHBondContact O-CA 3.5Å; S287-Q291 PolarHBondContact O-N 2.87Å; S288-Q291 PolarHBondContact O-N 2.96Å; Q291-K347 CarbonylContact O-C 3.45Å; Q291-K347 WeakPolarHBondContact O-CA 3.22Å; Q291-L348 CarbonylContact C-O 3.47Å; Q291-L348 VanDerWaalsContact C-O 3.25Å; Q291-L348 WeakPolarHBondContact CA-O 3.41Å; Q291-L348 PolarHBondContact O-N 3.12Å; Q291-L348 VanDerWaalsContact O-O 3.1Å |
| 292 | R | 93.9 | Very high | 92.7 | Very high | 113 Ų | 113 | 30 Ų | 30 | 43% | 0.426 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 118.5 | -165.2 | -169.6 | 178.9 | -61.4 | -121.9 | 5 | 112.2 | Y286 S287 L290 F346 | Y286-R292 WeakPolarHBondContact CD2-O 3.25Å; S287-R292 PolarHBondContact N-O 2.86Å; S287-R292 PolarHBondContact O-N 2.79Å; L290-R292 HydrophobicContact CB-CB 3.94Å; L290-R292 PolarHBondContact O-N 2.86Å; R292-F346 WeakPolarHBondContact CA-O 3.44Å |
| 293 | L | 94.9 | Very high | 92 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 122 | 168.8 | 174.7 | 56 | 0 | 0 | 0 | 108.6 | L284 Y286 L317 T345 F346 L348 L358 W395 M398 | L284-L293 HydrophobicContact CD2-CD1 4.42Å; Y286-L293 HydrophobicContact CD2-CB 4.04Å; Y286-L293 HydrophobicContact CE2-CB 4.44Å; L293-L317 HydrophobicContact CD2-CD1 4.41Å; L293-T345 CarbonylContact O-C 3.51Å; L293-T345 WeakPolarHBondContact O-CA 3.13Å; L293-F346 HydrophobicContact CB-CB 4.45Å; L293-F346 PolarHBondContact N-O 3.12Å; L293-F346 PolarHBondContact O-N 3.34Å; L293-L348 HydrophobicContact CB-CB 4.23Å; L293-L348 HydrophobicContact CB-CD2 4.39Å; L293-L348 HydrophobicContact CD2-CD2 3.75Å; L293-L358 HydrophobicContact CD2-CD1 3.88Å; L293-L358 HydrophobicContact CD2-CD2 4Å; L293-L358 HydrophobicContact CD2-CG 3.99Å; L293-L358 HydrophobicContact CG-CD1 4.31Å; L293-W395 HydrophobicContact CD1-CZ3 4.48Å; L293-W395 HydrophobicContact CD2-CH2 3.79Å; L293-W395 HydrophobicContact CD2-CZ3 3.98Å; L293-M398 HydrophobicContact CD1-CE 4.01Å; L293-M398 HydrophobicContact CD1-SD 3.27Å; L293-M398 WeakPolarHBondContact CD1-SD 3.38Å |
| 294 | S | 94.8 | Very high | 90.8 | Very high | 16 Ų | 16 | 36.3 Ų | 36.3 | 11% | 0.112 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 121.8 | -178.7 | -54.4 | 0 | 0 | 0 | 0 | 110.2 | S285 | S285-S294 PolarHBondContact N-O 3.01Å; S285-S294 PolarHBondContact O-N 2.92Å; S285-S294 WeakPolarHBondContact OG-CB 3.49Å; S285-S294 PolarHBondContact OG-O 2.79Å |
| 295 | L | 95.7 | Very high | 89.6 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 141.8 | 176.2 | -179 | 154.6 | 0 | 0 | 0 | 109.4 | I282 S283 L284 V297 V315 M344 L358 | I282-L295 HydrophobicContact CG2-CD1 3.7Å; I282-L295 HydrophobicContact CG2-CD2 4.24Å; I282-L295 HydrophobicContact CG2-CG 3.73Å; S283-L295 CarbonylContact O-C 3.58Å; S283-L295 VanDerWaalsContact O-CA 3.29Å; S283-L295 WeakPolarHBondContact O-CA 3.21Å; L284-L295 HydrophobicContact CD2-CB 3.96Å; L284-L295 HydrophobicContact CD2-CD1 3.84Å; L284-L295 HydrophobicContact CD2-CG 4.02Å; L295-V297 HydrophobicContact CD2-CG2 3.57Å; L295-V315 HydrophobicContact CD1-CG1 4.5Å; L295-M344 HydrophobicContact CB-CG 3.8Å; L295-M344 HydrophobicContact CB-SD 4.41Å; L295-M344 HydrophobicContact CD2-CE 3.83Å; L295-M344 HydrophobicContact CD2-CG 3.85Å; L295-M344 HydrophobicContact CD2-SD 3.86Å; L295-M344 HydrophobicContact CG-CG 4.42Å; L295-M344 PolarHBondContact N-O 2.84Å; L295-M344 WeakPolarHBondContact O-CG 3.29Å; L295-M344 PolarHBondContact O-N 2.84Å; L295-L358 HydrophobicContact CB-CD1 4.48Å; L295-L358 HydrophobicContact CD1-CD1 3.72Å |
| 296 | V | 95.6 | Very high | 88 | Confident | 16 Ų | 16 | 44.7 Ų | 44.7 | 10% | 0.097 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 124 | 166.2 | -170.6 | 0 | 0 | 0 | 0 | 108.6 | S283 L298 Y342 R343 | S283-V296 PolarHBondContact N-O 2.99Å; S283-V296 PolarHBondContact O-N 2.91Å; V296-L298 HydrophobicContact CG1-CD2 3.86Å; V296-L298 HydrophobicContact CG1-CG 4.42Å; V296-Y342 WeakPolarHBondContact CA-O 3.27Å; V296-R343 HydrophobicContact CG2-CB 4.07Å; V296-R343 HydrophobicContact CG2-CG 4.04Å |
| 297 | V | 94.7 | Very high | 86.6 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 114 | 167 | -170.3 | 0 | 0 | 0 | 0 | 106.6 | V280 L295 V313 F340 N341 Y342 M344 F360 | V280-V297 HydrophobicContact CG2-CG1 3.89Å; L295-V297 HydrophobicContact CD2-CG2 3.57Å; V297-V313 HydrophobicContact CG1-CG2 4.43Å; V297-V313 HydrophobicContact CG2-CG1 4.07Å; V297-F340 HydrophobicContact CB-CB 4.19Å; V297-F340 HydrophobicContact CG1-CB 4.02Å; V297-F340 HydrophobicContact CG1-CD2 3.72Å; V297-F340 HydrophobicContact CG1-CG 4.06Å; V297-N341 CarbonylContact O-C 3.6Å; V297-N341 WeakPolarHBondContact O-CA 3.45Å; V297-N341 PolarHBondContact O-N 2.99Å; V297-Y342 PolarHBondContact N-O 2.86Å; V297-Y342 PolarHBondContact O-N 2.89Å; V297-M344 HydrophobicContact CG2-CE 4.13Å; V297-F360 HydrophobicContact CG1-CE2 4.08Å; V297-F360 HydrophobicContact CG2-CD2 4.5Å; V297-F360 HydrophobicContact CG2-CE2 4.01Å |
| 298 | L | 92.3 | Very high | 85.3 | Confident | 31 Ų | 31 | 53.9 Ų | 53.9 | 16% | 0.162 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | -57.1 | -175.1 | -66.8 | 169.1 | 0 | 0 | 0 | 110 | Q281 V296 F340 N341 R407 | Q281-L298 HydrophobicContact CB-CB 4.33Å; Q281-L298 HydrophobicContact CG-CD1 4.14Å; Q281-L298 PolarHBondContact O-N 2.96Å; V296-L298 HydrophobicContact CG1-CD2 3.86Å; V296-L298 HydrophobicContact CG1-CG 4.42Å; L298-F340 PolarHBondContact O-N 3.19Å; L298-N341 PolarHBondContact O-N 3.49Å; L298-R407 HydrophobicContact CD1-CG 4.38Å |
| 299 | G | 90.8 | Very high | 84.4 | Confident | 9 Ų | 9 | 52.8 Ų | 52.8 | 9% | 0.093 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.7 | 174 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q281 P338 | Q281-G299 PolarHBondContact N-O 3.12Å; G299-P338 CarbonylContact C-O 3.59Å; G299-P338 WeakPolarHBondContact CA-O 3.26Å |
| 300 | A | 89.9 | Confident | 84 | Confident | 6 Ų | 6 | 48.3 Ų | 48.3 | 5% | 0.05 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 166.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | D279 L303 D337 P338 F340 | D279-A300 CarbonylContact O-C 3.59Å; D279-A300 WeakPolarHBondContact O-CA 3.46Å; D279-A300 WeakPolarHBondContact O-CB 3.43Å; A300-L303 HydrophobicContact CB-CD1 3.9Å; A300-L303 HydrophobicContact CB-CD2 3.89Å; A300-L303 HydrophobicContact CB-CG 3.91Å; A300-D337 CarbonylContact O-C 3.56Å; A300-D337 VanDerWaalsContact O-CA 3.25Å; A300-D337 WeakPolarHBondContact O-CA 3.35Å; A300-P338 HydrophobicContact CB-CG 4.23Å; A300-P338 PolarHBondContact N-O 3.38Å; A300-F340 HydrophobicContact CB-CE2 4.14Å |
| 301 | R | 86.4 | Confident | 83.8 | Confident | 48 Ų | 48 | 43.1 Ų | 43.1 | 18% | 0.181 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 146.5 | 175.3 | 68.2 | 178.9 | -174.4 | -162.4 | 1.3 | 112.4 | G278 D279 L303 D337 W409 | G278-R301 VanDerWaalsContact CA-O 3.27Å; G278-R301 WeakPolarHBondContact CA-O 3.41Å; D279-R301 HydrophobicContact CB-CG 3.97Å; D279-R301 PolarHBondContact N-O 3.34Å; D279-R301 PolarHBondContact O-N 2.92Å; D279-R301 IonicContact OD2-CZ 3.45Å; D279-R301 VanDerWaalsContact OD2-CZ 3.25Å; D279-R301 IonicContact OD2-NE 2.75Å; D279-R301 PolarHBondContact OD2-NE 3.21Å; D279-R301 IonicContact OD2-NH2 2.81Å; D279-R301 PolarHBondContact OD2-NH2 3.14Å; R301-L303 VanDerWaalsContact C-N 3.27Å; R301-L303 PolarHBondContact O-N 2.85Å; R301-D337 WeakPolarHBondContact CA-OD1 3.26Å; R301-W409 HydrophobicContact CB-CH2 4.13Å; R301-W409 HydrophobicContact CB-CZ3 4.1Å; R301-W409 HydrophobicContact CG-CE3 4.17Å; R301-W409 HydrophobicContact CG-CH2 3.89Å; R301-W409 HydrophobicContact CG-CZ3 3.54Å |
| 302 | G | 78.3 | Confident | 83.6 | Confident | 22 Ų | 22 | 39.9 Ų | 39.9 | 23% | 0.227 | 21% | 0.214 | C | C | . | . | S | Bend | trans | 59.1 | 33.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | G278 Q336 D337 | G278-G302 VanDerWaalsContact CA-O 3.29Å; G278-G302 WeakPolarHBondContact CA-O 3.48Å; G302-Q336 PolarHBondContact N-O 2.83Å; G302-D337 PolarHBondContact N-OD1 2.86Å |
| 303 | L | 81.8 | Confident | 83.5 | Confident | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | trans | -66.6 | 132.6 | 176.3 | -63.4 | -178 | 0 | 0 | 0 | 110.9 | L277 A300 R301 L305 V311 Q336 P338 L362 L412 | L277-L303 VanDerWaalsContact O-CD2 3.32Å; L277-L303 WeakPolarHBondContact O-CD2 3.4Å; A300-L303 HydrophobicContact CB-CD1 3.9Å; A300-L303 HydrophobicContact CB-CD2 3.89Å; A300-L303 HydrophobicContact CB-CG 3.91Å; R301-L303 VanDerWaalsContact C-N 3.27Å; R301-L303 PolarHBondContact O-N 2.85Å; L303-L305 HydrophobicContact CB-CD2 3.88Å; L303-L305 HydrophobicContact CB-CG 4.22Å; L303-L305 HydrophobicContact CD1-CD2 4.06Å; L303-L305 PolarHBondContact O-N 2.84Å; L303-L305 VanDerWaalsContact O-N 3.14Å; L303-V311 HydrophobicContact CD1-CG2 4.47Å; L303-Q336 WeakPolarHBondContact CB-O 3.32Å; L303-Q336 WeakPolarHBondContact CG-O 3.38Å; L303-Q336 PolarHBondContact N-O 2.96Å; L303-P338 HydrophobicContact CD1-CG 3.47Å; L303-P338 VanDerWaalsContact CD1-CG 3.47Å; L303-L362 HydrophobicContact CD1-CD2 3.86Å; L303-L362 HydrophobicContact CD2-CD2 3.51Å; L303-L362 HydrophobicContact CG-CD2 4.34Å; L303-L412 HydrophobicContact CD2-CD1 3.64Å | ||
| 304 | Q | 72.4 | Confident | 83.5 | Confident | 135 Ų | 135 | 36.7 Ų | 36.7 | 63% | 0.631 | 20% | 0.204 | S | C | * | . | trans | -83.5 | 82.3 | 168.2 | -64.1 | -165.3 | 20.4 | 0 | 0 | 110 | E276 | E276-Q304 WeakPolarHBondContact O-CG 3.34Å; E276-Q304 PolarHBondContact O-NE2 3.34Å | ||
| 305 | L | 70.3 | Confident | 83.5 | Confident | 43 Ų | 43 | 36 Ų | 36 | 23% | 0.225 | 20% | 0.199 | C | C | . | . | trans | -76 | 129.4 | 173.5 | -58.2 | -163.9 | 0 | 0 | 0 | 110.8 | L303 V311 G334 E335 L376 | L303-L305 HydrophobicContact CB-CD2 3.88Å; L303-L305 HydrophobicContact CB-CG 4.22Å; L303-L305 HydrophobicContact CD1-CD2 4.06Å; L303-L305 PolarHBondContact O-N 2.84Å; L303-L305 VanDerWaalsContact O-N 3.14Å; L305-V311 HydrophobicContact CD1-CG1 4.24Å; L305-V311 HydrophobicContact CD2-CG1 3.48Å; L305-V311 VanDerWaalsContact CD2-CG1 3.48Å; L305-G334 VanDerWaalsContact CD1-O 3.24Å; L305-G334 WeakPolarHBondContact CD1-O 3.27Å; L305-E335 VanDerWaalsContact CD1-O 3.3Å; L305-E335 WeakPolarHBondContact CD1-O 3.13Å; L305-E335 WeakPolarHBondContact CG-O 3.44Å; L305-L376 HydrophobicContact CD2-CD1 3.77Å | ||
| 306 | L | 61.1 | Low | 83.5 | Confident | 150 Ų | 150 | 35.9 Ų | 35.9 | 79% | 0.785 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -89.7 | -12.8 | 177.3 | -72.8 | 142.8 | 0 | 0 | 0 | 112.3 | ||
| 307 | T | 65.2 | Low | 83.5 | Confident | 86 Ų | 86 | 35.2 Ų | 35.2 | 53% | 0.528 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -157.3 | 143.6 | -171.7 | -48.7 | 0 | 0 | 0 | 0 | 111.8 | A309 H364 | T307-A309 HydrophobicContact CG2-CB 4.15Å; T307-A309 PolarHBondContact O-N 3.43Å; T307-H364 PolarHBondContact O-CE1 3.43Å |
| 308 | D | 67.9 | Low | 83.5 | Confident | 119 Ų | 119 | 37 Ų | 37 | 64% | 0.636 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | 22.7 | 173.1 | -175 | 52 | 0 | 0 | 0 | 114.2 | G310 K333 | D308-G310 PolarHBondContact O-N 3.03Å; D308-K333 PolarHBondContact O-NZ 3.33Å; D308-K333 IonicContact OD2-NZ 3.6Å; D308-K333 PolarHBondContact OD2-NZ 3.34Å |
| 309 | A | 71.1 | Confident | 83.6 | Confident | 35 Ų | 35 | 36.9 Ų | 36.9 | 29% | 0.289 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -14.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | T307 P365 | T307-A309 HydrophobicContact CG2-CB 4.15Å; T307-A309 PolarHBondContact O-N 3.43Å; A309-P365 HydrophobicContact CB-CG 4.13Å; A309-P365 WeakPolarHBondContact O-CG 3.09Å |
| 310 | G | 81.1 | Confident | 83.5 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | trans | 75.4 | -172.7 | -166.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | D308 V332 H364 P365 | D308-G310 PolarHBondContact O-N 3.03Å; G310-V332 CarbonylContact C-O 3.49Å; G310-V332 VanDerWaalsContact CA-O 3.31Å; G310-V332 WeakPolarHBondContact CA-O 3.46Å; G310-H364 PolarHBondContact O-ND1 2.89Å; G310-P365 WeakPolarHBondContact O-CD 3.2Å | ||
| 311 | V | 88 | Confident | 83.3 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | B | Isolated β-bridge | trans | -136.1 | 150.4 | -177.8 | -71.8 | 0 | 0 | 0 | 0 | 111.9 | L303 L305 V331 V332 P338 F340 L362 L376 | L303-V311 HydrophobicContact CD1-CG2 4.47Å; L305-V311 HydrophobicContact CD1-CG1 4.24Å; L305-V311 HydrophobicContact CD2-CG1 3.48Å; L305-V311 VanDerWaalsContact CD2-CG1 3.48Å; V311-V331 WeakPolarHBondContact O-CA 3.43Å; V311-V332 PolarHBondContact N-O 3.11Å; V311-V332 PolarHBondContact O-N 3.46Å; V311-P338 HydrophobicContact CG2-CB 4.21Å; V311-P338 HydrophobicContact CG2-CG 3.9Å; V311-F340 HydrophobicContact CG2-CE1 4.04Å; V311-F340 HydrophobicContact CG2-CZ 3.67Å; V311-L362 HydrophobicContact CB-CD1 4.05Å; V311-L362 HydrophobicContact CG2-CD1 4.38Å; V311-L376 HydrophobicContact CG1-CD1 3.48Å; V311-L376 VanDerWaalsContact CG1-CD1 3.48Å |
| 312 | C | 89.8 | Confident | 83.5 | Confident | 3 Ų | 3 | 52.4 Ų | 52.4 | 2% | 0.02 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 154.6 | 169.8 | 70.8 | 0 | 0 | 0 | 0 | 110.3 | V331 Q363 | C312-V331 HydrophobicContact CB-CG2 4.3Å; C312-Q363 PolarHBondContact N-O 2.94Å; C312-Q363 PolarHBondContact O-N 2.85Å; C312-Q363 VanDerWaalsContact O-O 3.14Å; C312-Q363 PolarHBondContact SG-O 2.99Å |
| 313 | V | 92.3 | Very high | 84.2 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 127.4 | 178.3 | 171.6 | 0 | 0 | 0 | 0 | 109.5 | V297 V315 R328 S329 F340 F360 L362 | V297-V313 HydrophobicContact CG1-CG2 4.43Å; V297-V313 HydrophobicContact CG2-CG1 4.07Å; V313-V315 HydrophobicContact CG1-CG2 3.93Å; V313-R328 CarbonylContact O-C 3.58Å; V313-R328 VanDerWaalsContact O-CA 3.27Å; V313-R328 WeakPolarHBondContact O-CA 3.44Å; V313-R328 WeakPolarHBondContact O-CG 3.47Å; V313-S329 PolarHBondContact N-OG 2.89Å; V313-S329 PolarHBondContact O-N 2.95Å; V313-F340 HydrophobicContact CG2-CD1 4.16Å; V313-F340 HydrophobicContact CG2-CD2 4.36Å; V313-F340 HydrophobicContact CG2-CE1 3.77Å; V313-F340 HydrophobicContact CG2-CE2 4Å; V313-F340 HydrophobicContact CG2-CG 4.44Å; V313-F340 HydrophobicContact CG2-CZ 3.68Å; V313-F360 HydrophobicContact CB-CE2 4.36Å; V313-F360 HydrophobicContact CB-CZ 4.44Å; V313-F360 HydrophobicContact CG1-CD2 3.75Å; V313-F360 HydrophobicContact CG1-CE2 3.31Å; V313-F360 HydrophobicContact CG1-CZ 3.73Å; V313-F360 HydrophobicContact CG2-CE2 4.08Å; V313-F360 HydrophobicContact CG2-CZ 3.81Å; V313-L362 HydrophobicContact CG2-CD1 3.72Å |
| 314 | Q | 93.6 | Very high | 84.7 | Confident | 46 Ų | 46 | 60.5 Ų | 60.5 | 22% | 0.215 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 137.6 | 167.4 | 176.8 | 162 | -90 | 0 | 0 | 109.4 | T326 K327 R328 F360 E361 | Q314-T326 HydrophobicContact CG-CG2 3.53Å; Q314-K327 CarbonylContact C-O 3.54Å; Q314-K327 WeakPolarHBondContact CA-O 3.46Å; Q314-R328 HydrophobicContact CB-CG 4.23Å; Q314-F360 CarbonylContact O-C 3.56Å; Q314-E361 HydrophobicContact CB-CB 4.31Å; Q314-E361 PolarHBondContact N-O 3.27Å; Q314-E361 PolarHBondContact NE2-OE2 3.38Å; Q314-E361 PolarHBondContact O-N 3.37Å |
| 315 | V | 95.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 127.6 | 170.7 | -176.5 | 0 | 0 | 0 | 0 | 108.7 | L295 V313 T326 K327 M344 F346 L358 R359 F360 | L295-V315 HydrophobicContact CD1-CG1 4.5Å; V313-V315 HydrophobicContact CG1-CG2 3.93Å; V315-T326 WeakPolarHBondContact O-CA 3.45Å; V315-K327 PolarHBondContact N-O 2.81Å; V315-K327 PolarHBondContact O-N 3.22Å; V315-M344 HydrophobicContact CB-CE 3.93Å; V315-M344 HydrophobicContact CB-SD 3.51Å; V315-M344 VanDerWaalsContact CB-SD 3.51Å; V315-M344 HydrophobicContact CG1-SD 3.91Å; V315-M344 HydrophobicContact CG2-CE 3.48Å; V315-M344 VanDerWaalsContact CG2-CE 3.48Å; V315-M344 HydrophobicContact CG2-SD 3.67Å; V315-F346 HydrophobicContact CB-CZ 4.42Å; V315-F346 HydrophobicContact CG1-CE2 4.35Å; V315-F346 HydrophobicContact CG1-CZ 4.09Å; V315-L358 HydrophobicContact CG1-CB 4.29Å; V315-L358 HydrophobicContact CG1-CD2 4.2Å; V315-R359 WeakPolarHBondContact CA-O 3.45Å; V315-F360 HydrophobicContact CG2-CB 4.33Å; V315-F360 HydrophobicContact CG2-CD2 3.9Å; V315-F360 HydrophobicContact CG2-CG 4.45Å |
| 316 | S | 95.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 129.3 | 173.7 | 64.1 | 0 | 0 | 0 | 0 | 110.8 | Q318 K325 T326 L358 R359 | S316-Q318 PolarHBondContact OG-NE2 3.16Å; S316-K325 WeakPolarHBondContact CA-O 3.39Å; S316-T326 VanDerWaalsContact CB-OG1 3.29Å; S316-T326 WeakPolarHBondContact CB-OG1 3.47Å; S316-L358 WeakPolarHBondContact O-CA 3.39Å; S316-R359 PolarHBondContact N-O 2.89Å; S316-R359 PolarHBondContact O-N 2.92Å |
| 317 | L | 96.3 | Very high | 88.4 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 122.9 | 163 | 175 | 64.7 | 0 | 0 | 0 | 108 | L293 V324 K325 F346 A356 L358 | L293-L317 HydrophobicContact CD2-CD1 4.41Å; L317-V324 PolarHBondContact O-N 2.85Å; L317-K325 PolarHBondContact N-O 2.69Å; L317-K325 PolarHBondContact O-N 3.26Å; L317-F346 HydrophobicContact CB-CD1 3.77Å; L317-F346 HydrophobicContact CB-CE1 4.04Å; L317-F346 HydrophobicContact CB-CG 4.21Å; L317-F346 HydrophobicContact CD2-CB 3.83Å; L317-F346 HydrophobicContact CD2-CD1 4.32Å; L317-F346 HydrophobicContact CD2-CG 4.29Å; L317-A356 HydrophobicContact CD1-CB 4.1Å; L317-L358 HydrophobicContact CB-CD2 3.99Å; L317-L358 HydrophobicContact CD1-CD2 3.92Å |
| 318 | Q | 94.8 | Very high | 89.7 | Confident | 37 Ų | 37 | 58.7 Ų | 58.7 | 17% | 0.173 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 145.1 | 175 | -50.4 | -172.4 | -1.2 | 0 | 0 | 108.6 | S316 Q322 A356 C357 | S316-Q318 PolarHBondContact OG-NE2 3.16Å; Q318-Q322 CarbonylContact C-O 3.53Å; Q318-Q322 VanDerWaalsContact CA-O 3.27Å; Q318-Q322 WeakPolarHBondContact CA-O 3.42Å; Q318-A356 VanDerWaalsContact O-CA 3.26Å; Q318-A356 WeakPolarHBondContact O-CA 3.36Å; Q318-C357 PolarHBondContact N-O 3.22Å; Q318-C357 PolarHBondContact O-N 2.75Å |
| 319 | I | 93.8 | Very high | 90.7 | Very high | 28 Ų | 28 | 53.6 Ų | 53.6 | 14% | 0.144 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 127.9 | 173.5 | -59.1 | -176.2 | 0 | 0 | 0 | 107.2 | T321 Q322 V324 L348 H352 D355 A356 | I319-T321 PolarHBondContact O-N 2.8Å; I319-Q322 PolarHBondContact N-O 3.32Å; I319-Q322 PolarHBondContact O-N 2.83Å; I319-V324 HydrophobicContact CB-CG2 3.91Å; I319-V324 HydrophobicContact CD1-CG2 3.95Å; I319-V324 HydrophobicContact CG1-CG2 3.75Å; I319-L348 HydrophobicContact CD1-CD1 3.8Å; I319-L348 HydrophobicContact CG1-CD1 4.43Å; I319-H352 HydrophobicContact CD1-CB 4.11Å; I319-H352 HydrophobicContact CG2-CB 4.3Å; I319-D355 WeakPolarHBondContact CA-O 3.49Å; I319-D355 HydrophobicContact CG2-CB 4.19Å; I319-A356 HydrophobicContact CG1-CB 4.04Å |
| 320 | H | 89.9 | Confident | 91.4 | Very high | 112 Ų | 112 | 56 Ų | 56 | 52% | 0.519 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | -104 | -164.4 | -68.9 | 58.2 | 0 | 0 | 0 | 110.7 | D355 Y386 | H320-D355 IonicContact CE1-OD1 3.07Å; H320-D355 IonicContact CE1-OD2 3.03Å; H320-D355 PolarHBondContact CE1-OD2 2.88Å; H320-D355 PolarHBondContact N-O 3.36Å; H320-Y386 VanDerWaalsContact CA-OH 3.23Å; H320-Y386 WeakPolarHBondContact CA-OH 3.39Å; H320-Y386 PolarHBondContact N-OH 3.34Å; H320-Y386 PolarHBondContact O-OH 3.48Å |
| 321 | T | 85.7 | Confident | 91.7 | Very high | 131 Ų | 131 | 59.3 Ų | 59.3 | 80% | 0.804 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.1 | -1.4 | 177.2 | 54.4 | 0 | 0 | 0 | 0 | 113.2 | I319 | I319-T321 PolarHBondContact O-N 2.8Š|
| 322 | Q | 90.7 | Very high | 91.5 | Very high | 147 Ų | 147 | 60.6 Ų | 60.6 | 69% | 0.687 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 131.6 | -173.7 | -63.7 | -170.7 | 5.4 | 0 | 0 | 111.8 | Q318 I319 V324 | Q318-Q322 CarbonylContact C-O 3.53Å; Q318-Q322 VanDerWaalsContact CA-O 3.27Å; Q318-Q322 WeakPolarHBondContact CA-O 3.42Å; I319-Q322 PolarHBondContact N-O 3.32Å; I319-Q322 PolarHBondContact O-N 2.83Å; Q322-V324 PolarHBondContact O-N 3.29Å |
| 323 | M | 91.9 | Very high | 90.9 | Very high | 112 Ų | 112 | 66.9 Ų | 66.9 | 55% | 0.552 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 100.2 | 175.3 | -171.8 | 178.6 | -69.7 | 0 | 0 | 110.1 | T326 | M323-T326 PolarHBondContact SD-OG1 3.43Å |
| 324 | V | 92.2 | Very high | 89.5 | Confident | 83 Ų | 83 | 68.2 Ų | 68.2 | 50% | 0.503 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | -39.5 | -172.7 | 178.4 | 0 | 0 | 0 | 0 | 112.2 | L317 I319 Q322 | L317-V324 PolarHBondContact O-N 2.85Å; I319-V324 HydrophobicContact CB-CG2 3.91Å; I319-V324 HydrophobicContact CD1-CG2 3.95Å; I319-V324 HydrophobicContact CG1-CG2 3.75Å; Q322-V324 PolarHBondContact O-N 3.29Å |
| 325 | K | 93.8 | Very high | 88.2 | Confident | 116 Ų | 116 | 74.2 Ų | 74.2 | 50% | 0.504 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 128 | -179.8 | -165.5 | 159.8 | -164.7 | 156.6 | 0 | 113.3 | S316 L317 F346 | S316-K325 WeakPolarHBondContact CA-O 3.39Å; L317-K325 PolarHBondContact N-O 2.69Å; L317-K325 PolarHBondContact O-N 3.26Å; K325-F346 HydrophobicContact CB-CD1 4.14Å; K325-F346 HydrophobicContact CB-CE1 4.38Å; K325-F346 HydrophobicContact CG-CD1 4.33Å; K325-F346 HydrophobicContact CG-CE1 4.46Å; K325-F346 WeakPolarHBondContact O-CE1 3.3Å |
| 326 | T | 94.3 | Very high | 87 | Confident | 57 Ų | 57 | 79.7 Ų | 79.7 | 35% | 0.35 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 144.9 | 175.1 | -56.1 | 0 | 0 | 0 | 0 | 111.1 | Q314 V315 S316 M323 | Q314-T326 HydrophobicContact CG-CG2 3.53Å; V315-T326 WeakPolarHBondContact O-CA 3.45Å; S316-T326 VanDerWaalsContact CB-OG1 3.29Å; S316-T326 WeakPolarHBondContact CB-OG1 3.47Å; M323-T326 PolarHBondContact SD-OG1 3.43Å |
| 327 | K | 94 | Very high | 86.5 | Confident | 61 Ų | 61 | 84.7 Ų | 84.7 | 27% | 0.265 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 140.8 | 175.3 | -74.1 | -179.3 | 161.6 | -72.2 | 0 | 109.1 | Q314 V315 M344 T345 F346 | Q314-K327 CarbonylContact C-O 3.54Å; Q314-K327 WeakPolarHBondContact CA-O 3.46Å; V315-K327 PolarHBondContact N-O 2.81Å; V315-K327 PolarHBondContact O-N 3.22Å; K327-M344 HydrophobicContact CD-CB 3.72Å; K327-T345 VanDerWaalsContact CE-O 3.25Å; K327-T345 WeakPolarHBondContact CE-O 3.24Å; K327-F346 HydrophobicContact CB-CZ 4.46Å; K327-F346 HydrophobicContact CD-CE1 3.99Å; K327-F346 HydrophobicContact CD-CZ 4.06Å; K327-F346 HydrophobicContact CG-CE1 4.16Å; K327-F346 HydrophobicContact CG-CZ 4.4Å |
| 328 | R | 91.4 | Very high | 85.9 | Confident | 143 Ų | 143 | 84.8 Ų | 84.8 | 54% | 0.54 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 140.9 | 177.5 | -161.8 | 172.5 | 73.6 | 177.4 | 4.4 | 110.4 | V313 Q314 Y342 | V313-R328 CarbonylContact O-C 3.58Å; V313-R328 VanDerWaalsContact O-CA 3.27Å; V313-R328 WeakPolarHBondContact O-CA 3.44Å; V313-R328 WeakPolarHBondContact O-CG 3.47Å; Q314-R328 HydrophobicContact CB-CG 4.23Å; R328-Y342 PolarHBondContact O-OH 2.8Å; R328-Y342 VanDerWaalsContact O-OH 3.12Å |
| 329 | S | 90 | Very high | 85.6 | Confident | 11 Ų | 11 | 88.7 Ų | 88.7 | 8% | 0.077 | 45% | 0.454 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 172.5 | 174.2 | 70.1 | 0 | 0 | 0 | 0 | 111.9 | V313 | V313-S329 PolarHBondContact N-OG 2.89Å; V313-S329 PolarHBondContact O-N 2.95Å |
| 330 | C | 85.8 | Confident | 85.3 | Confident | 85 Ų | 85 | 88.2 Ų | 88.2 | 57% | 0.574 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 164.8 | 153.9 | 49.7 | 0 | 0 | 0 | 0 | 111 | ||
| 331 | V | 86.9 | Confident | 85.3 | Confident | 72 Ų | 72 | 87.9 Ų | 87.9 | 44% | 0.436 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -74.5 | 131.8 | 166.8 | 179.8 | 0 | 0 | 0 | 0 | 108.7 | V311 C312 P365 | V311-V331 WeakPolarHBondContact O-CA 3.43Å; C312-V331 HydrophobicContact CB-CG2 4.3Å; V331-P365 HydrophobicContact CG1-CG 3.89Å; V331-P365 HydrophobicContact CG2-CB 3.7Å; V331-P365 HydrophobicContact CG2-CG 3.93Å |
| 332 | V | 84.2 | Confident | 85.7 | Confident | 27 Ų | 27 | 84.5 Ų | 84.5 | 16% | 0.164 | 43% | 0.426 | C | S | . | . | B | Isolated β-bridge | trans | -109.1 | 127.5 | 170.5 | 178.5 | 0 | 0 | 0 | 0 | 107.9 | G310 V311 P338 F340 | G310-V332 CarbonylContact C-O 3.49Å; G310-V332 VanDerWaalsContact CA-O 3.31Å; G310-V332 WeakPolarHBondContact CA-O 3.46Å; V311-V332 PolarHBondContact N-O 3.11Å; V311-V332 PolarHBondContact O-N 3.46Å; V332-P338 HydrophobicContact CG1-CB 3.98Å; V332-F340 HydrophobicContact CB-CD1 4.19Å; V332-F340 HydrophobicContact CB-CE1 4.06Å; V332-F340 HydrophobicContact CG2-CD1 3.61Å; V332-F340 HydrophobicContact CG2-CE1 3.96Å |
| 333 | K | 76.6 | Confident | 85.9 | Confident | 134 Ų | 134 | 85.3 Ų | 85.3 | 58% | 0.583 | 42% | 0.423 | S | S | * | . | trans | -90.6 | 138.1 | 167.4 | -71.9 | -166.5 | 165.8 | -123.7 | 0 | 109.6 | D308 | D308-K333 PolarHBondContact O-NZ 3.33Å; D308-K333 IonicContact OD2-NZ 3.6Å; D308-K333 PolarHBondContact OD2-NZ 3.34Å | ||
| 334 | G | 62.5 | Low | 86 | Confident | 28 Ų | 28 | 80.2 Ų | 80.2 | 29% | 0.289 | 40% | 0.397 | S | S | . | . | trans | 167.4 | 143.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | L305 | L305-G334 VanDerWaalsContact CD1-O 3.24Å; L305-G334 WeakPolarHBondContact CD1-O 3.27Å | ||
| 335 | E | 67.8 | Low | 86.1 | Confident | 173 Ų | 173 | 78.6 Ų | 78.6 | 81% | 0.808 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -70.6 | -53.1 | -162 | -59.8 | -179 | 159.6 | 0 | 0 | 114.4 | L305 | L305-E335 VanDerWaalsContact CD1-O 3.3Å; L305-E335 WeakPolarHBondContact CD1-O 3.13Å; L305-E335 WeakPolarHBondContact CG-O 3.44Å |
| 336 | Q | 70.5 | Confident | 86.2 | Confident | 115 Ų | 115 | 73.3 Ų | 73.3 | 54% | 0.537 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -140.6 | -28.6 | -175.5 | -60.9 | -174.1 | 13.6 | 0 | 0 | 113.2 | G302 L303 P338 | G302-Q336 PolarHBondContact N-O 2.83Å; L303-Q336 WeakPolarHBondContact CB-O 3.32Å; L303-Q336 WeakPolarHBondContact CG-O 3.38Å; L303-Q336 PolarHBondContact N-O 2.96Å; Q336-P338 VanDerWaalsContact O-CD 3.26Å; Q336-P338 WeakPolarHBondContact O-CD 3.39Å |
| 337 | D | 82.6 | Confident | 86.2 | Confident | 104 Ų | 104 | 78.3 Ų | 78.3 | 56% | 0.556 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -118.8 | 60.6 | -175.8 | -57.2 | -27.4 | 0 | 0 | 0 | 112.8 | A300 R301 G302 | A300-D337 CarbonylContact O-C 3.56Å; A300-D337 VanDerWaalsContact O-CA 3.25Å; A300-D337 WeakPolarHBondContact O-CA 3.35Å; R301-D337 WeakPolarHBondContact CA-OD1 3.26Å; G302-D337 PolarHBondContact N-OD1 2.86Å |
| 338 | P | 85.6 | Confident | 86.2 | Confident | 4 Ų | 4 | 75.5 Ų | 75.5 | 3% | 0.026 | 37% | 0.369 | C | S | . | . | trans | -71.8 | 132.9 | -174.6 | 29.3 | -34.9 | 0 | 0 | 0 | 112.6 | G299 A300 L303 V311 V332 Q336 F340 | G299-P338 CarbonylContact C-O 3.59Å; G299-P338 WeakPolarHBondContact CA-O 3.26Å; A300-P338 HydrophobicContact CB-CG 4.23Å; A300-P338 PolarHBondContact N-O 3.38Å; L303-P338 HydrophobicContact CD1-CG 3.47Å; L303-P338 VanDerWaalsContact CD1-CG 3.47Å; V311-P338 HydrophobicContact CG2-CB 4.21Å; V311-P338 HydrophobicContact CG2-CG 3.9Å; V332-P338 HydrophobicContact CG1-CB 3.98Å; Q336-P338 VanDerWaalsContact O-CD 3.26Å; Q336-P338 WeakPolarHBondContact O-CD 3.39Å; P338-F340 HydrophobicContact CB-CE2 4.38Å; P338-F340 HydrophobicContact CB-CZ 4.32Å; P338-F340 HydrophobicContact CG-CE2 3.99Å; P338-F340 HydrophobicContact CG-CZ 4.03Å | ||
| 339 | I | 87.6 | Confident | 86.3 | Confident | 119 Ų | 119 | 74.7 Ų | 74.7 | 61% | 0.61 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 120.9 | 175.1 | -59.7 | 173.3 | 0 | 0 | 0 | 108.8 | N341 | I339-N341 VanDerWaalsContact CG2-ND2 3.3Å; I339-N341 WeakPolarHBondContact CG2-ND2 3.31Å |
| 340 | F | 88.3 | Confident | 86.3 | Confident | 19 Ų | 19 | 76.9 Ų | 76.9 | 8% | 0.083 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | -42.5 | -179.1 | -66 | -78.6 | 0 | 0 | 0 | 112.8 | V297 L298 A300 V311 V313 V332 P338 Y342 L362 | V297-F340 HydrophobicContact CB-CB 4.19Å; V297-F340 HydrophobicContact CG1-CB 4.02Å; V297-F340 HydrophobicContact CG1-CD2 3.72Å; V297-F340 HydrophobicContact CG1-CG 4.06Å; L298-F340 PolarHBondContact O-N 3.19Å; A300-F340 HydrophobicContact CB-CE2 4.14Å; V311-F340 HydrophobicContact CG2-CE1 4.04Å; V311-F340 HydrophobicContact CG2-CZ 3.67Å; V313-F340 HydrophobicContact CG2-CD1 4.16Å; V313-F340 HydrophobicContact CG2-CD2 4.36Å; V313-F340 HydrophobicContact CG2-CE1 3.77Å; V313-F340 HydrophobicContact CG2-CE2 4Å; V313-F340 HydrophobicContact CG2-CG 4.44Å; V313-F340 HydrophobicContact CG2-CZ 3.68Å; V332-F340 HydrophobicContact CB-CD1 4.19Å; V332-F340 HydrophobicContact CB-CE1 4.06Å; V332-F340 HydrophobicContact CG2-CD1 3.61Å; V332-F340 HydrophobicContact CG2-CE1 3.96Å; P338-F340 HydrophobicContact CB-CE2 4.38Å; P338-F340 HydrophobicContact CB-CZ 4.32Å; P338-F340 HydrophobicContact CG-CE2 3.99Å; P338-F340 HydrophobicContact CG-CZ 4.03Å; F340-Y342 PolarHBondContact O-N 3.35Å; F340-L362 HydrophobicContact CZ-CD1 3.92Å |
| 341 | N | 89.9 | Confident | 86.6 | Confident | 105 Ų | 105 | 79.8 Ų | 79.8 | 56% | 0.561 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 42.6 | 26.9 | -168.9 | -74.3 | -41.3 | 0 | 0 | 0 | 115 | V297 L298 I339 R343 | V297-N341 CarbonylContact O-C 3.6Å; V297-N341 WeakPolarHBondContact O-CA 3.45Å; V297-N341 PolarHBondContact O-N 2.99Å; L298-N341 PolarHBondContact O-N 3.49Å; I339-N341 VanDerWaalsContact CG2-ND2 3.3Å; I339-N341 WeakPolarHBondContact CG2-ND2 3.31Å; N341-R343 PolarHBondContact O-N 3.17Å |
| 342 | Y | 93.3 | Very high | 86.8 | Confident | 60 Ų | 60 | 79 Ų | 79 | 24% | 0.235 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 105.7 | -167.8 | -176.7 | -109.9 | 0 | 0 | 0 | 110.7 | V296 V297 R328 F340 M344 | V296-Y342 WeakPolarHBondContact CA-O 3.27Å; V297-Y342 PolarHBondContact N-O 2.86Å; V297-Y342 PolarHBondContact O-N 2.89Å; R328-Y342 PolarHBondContact O-OH 2.8Å; R328-Y342 VanDerWaalsContact O-OH 3.12Å; F340-Y342 PolarHBondContact O-N 3.35Å; Y342-M344 HydrophobicContact CD1-CE 3.57Å; Y342-M344 HydrophobicContact CE1-CB 4.43Å; Y342-M344 HydrophobicContact CE1-CE 3.62Å |
| 343 | R | 94.1 | Very high | 87.1 | Confident | 164 Ų | 164 | 78.6 Ų | 78.6 | 62% | 0.619 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84 | 131.5 | 176.9 | 179.9 | 177.7 | -65.7 | -93 | 3.9 | 111.3 | V296 N341 | V296-R343 HydrophobicContact CG2-CB 4.07Å; V296-R343 HydrophobicContact CG2-CG 4.04Å; N341-R343 PolarHBondContact O-N 3.17Å |
| 344 | M | 94.2 | Very high | 87.8 | Confident | 4 Ų | 4 | 76.9 Ų | 76.9 | 2% | 0.02 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 151.3 | 173 | 60.2 | -178.1 | 82.6 | 0 | 0 | 111.6 | L295 V297 V315 K327 Y342 F346 | L295-M344 HydrophobicContact CB-CG 3.8Å; L295-M344 HydrophobicContact CB-SD 4.41Å; L295-M344 HydrophobicContact CD2-CE 3.83Å; L295-M344 HydrophobicContact CD2-CG 3.85Å; L295-M344 HydrophobicContact CD2-SD 3.86Å; L295-M344 HydrophobicContact CG-CG 4.42Å; L295-M344 PolarHBondContact N-O 2.84Å; L295-M344 WeakPolarHBondContact O-CG 3.29Å; L295-M344 PolarHBondContact O-N 2.84Å; V297-M344 HydrophobicContact CG2-CE 4.13Å; V315-M344 HydrophobicContact CB-CE 3.93Å; V315-M344 HydrophobicContact CB-SD 3.51Å; V315-M344 VanDerWaalsContact CB-SD 3.51Å; V315-M344 HydrophobicContact CG1-SD 3.91Å; V315-M344 HydrophobicContact CG2-CE 3.48Å; V315-M344 VanDerWaalsContact CG2-CE 3.48Å; V315-M344 HydrophobicContact CG2-SD 3.67Å; K327-M344 HydrophobicContact CD-CB 3.72Å; Y342-M344 HydrophobicContact CD1-CE 3.57Å; Y342-M344 HydrophobicContact CE1-CB 4.43Å; Y342-M344 HydrophobicContact CE1-CE 3.62Å; M344-F346 HydrophobicContact CB-CE2 4.43Å; M344-F346 HydrophobicContact CG-CE2 3.84Å; M344-F346 HydrophobicContact CG-CZ 4.36Å; M344-F346 HydrophobicContact SD-CE2 3.6Å; M344-F346 HydrophobicContact SD-CZ 3.69Å |
| 345 | T | 94.9 | Very high | 89.3 | Confident | 49 Ų | 49 | 77.5 Ų | 77.5 | 30% | 0.301 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 141.9 | 176 | 59.6 | 0 | 0 | 0 | 0 | 110.9 | L293 K327 | L293-T345 CarbonylContact O-C 3.51Å; L293-T345 WeakPolarHBondContact O-CA 3.13Å; K327-T345 VanDerWaalsContact CE-O 3.25Å; K327-T345 WeakPolarHBondContact CE-O 3.24Å |
| 346 | F | 95.3 | Very high | 90.6 | Very high | 5 Ų | 5 | 69.3 Ų | 69.3 | 2% | 0.022 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 147.8 | 177.9 | -55.8 | -88.6 | 0 | 0 | 0 | 109.2 | R292 L293 V315 L317 K325 K327 M344 L358 | R292-F346 WeakPolarHBondContact CA-O 3.44Å; L293-F346 HydrophobicContact CB-CB 4.45Å; L293-F346 PolarHBondContact N-O 3.12Å; L293-F346 PolarHBondContact O-N 3.34Å; V315-F346 HydrophobicContact CB-CZ 4.42Å; V315-F346 HydrophobicContact CG1-CE2 4.35Å; V315-F346 HydrophobicContact CG1-CZ 4.09Å; L317-F346 HydrophobicContact CB-CD1 3.77Å; L317-F346 HydrophobicContact CB-CE1 4.04Å; L317-F346 HydrophobicContact CB-CG 4.21Å; L317-F346 HydrophobicContact CD2-CB 3.83Å; L317-F346 HydrophobicContact CD2-CD1 4.32Å; L317-F346 HydrophobicContact CD2-CG 4.29Å; K325-F346 HydrophobicContact CB-CD1 4.14Å; K325-F346 HydrophobicContact CB-CE1 4.38Å; K325-F346 HydrophobicContact CG-CD1 4.33Å; K325-F346 HydrophobicContact CG-CE1 4.46Å; K325-F346 WeakPolarHBondContact O-CE1 3.3Å; K327-F346 HydrophobicContact CB-CZ 4.46Å; K327-F346 HydrophobicContact CD-CE1 3.99Å; K327-F346 HydrophobicContact CD-CZ 4.06Å; K327-F346 HydrophobicContact CG-CE1 4.16Å; K327-F346 HydrophobicContact CG-CZ 4.4Å; M344-F346 HydrophobicContact CB-CE2 4.43Å; M344-F346 HydrophobicContact CG-CE2 3.84Å; M344-F346 HydrophobicContact CG-CZ 4.36Å; M344-F346 HydrophobicContact SD-CE2 3.6Å; M344-F346 HydrophobicContact SD-CZ 3.69Å; F346-L358 HydrophobicContact CD2-CD2 4.05Å; F346-L358 HydrophobicContact CE2-CD2 3.86Å; F346-L358 HydrophobicContact CZ-CD2 4.33Å |
| 347 | K | 94.3 | Very high | 91.7 | Very high | 162 Ų | 162 | 64 Ų | 64 | 70% | 0.704 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 117.3 | 171.5 | -171.6 | 177.5 | -176.2 | 177.2 | 0 | 107.6 | Q291 | Q291-K347 CarbonylContact O-C 3.45Å; Q291-K347 WeakPolarHBondContact O-CA 3.22Å |
| 348 | L | 93.9 | Very high | 92.4 | Very high | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | trans | -138 | 119.2 | -178.2 | -179.2 | 62.8 | 0 | 0 | 0 | 108.5 | Y286 Q291 L293 I319 H352 L353 A356 W395 | Y286-L348 HydrophobicContact CE2-CB 4.31Å; Y286-L348 WeakPolarHBondContact CE2-O 3.47Å; Y286-L348 PolarHBondContact OH-O 2.84Å; Q291-L348 CarbonylContact C-O 3.47Å; Q291-L348 VanDerWaalsContact C-O 3.25Å; Q291-L348 WeakPolarHBondContact CA-O 3.41Å; Q291-L348 PolarHBondContact O-N 3.12Å; Q291-L348 VanDerWaalsContact O-O 3.1Å; L293-L348 HydrophobicContact CB-CB 4.23Å; L293-L348 HydrophobicContact CB-CD2 4.39Å; L293-L348 HydrophobicContact CD2-CD2 3.75Å; I319-L348 HydrophobicContact CD1-CD1 3.8Å; I319-L348 HydrophobicContact CG1-CD1 4.43Å; L348-H352 HydrophobicContact CD1-CB 3.77Å; L348-L353 HydrophobicContact CD2-CD2 3.85Å; L348-L353 HydrophobicContact CG-CD2 4.48Å; L348-A356 HydrophobicContact CD1-CB 3.78Å; L348-A356 HydrophobicContact CD2-CB 3.96Å; L348-W395 HydrophobicContact CD2-CH2 4.21Å; L348-W395 HydrophobicContact CD2-CZ2 4.43Å | ||
| 349 | R | 93.5 | Very high | 92.8 | Very high | 127 Ų | 127 | 62.7 Ų | 62.7 | 48% | 0.479 | 29% | 0.291 | S | S | . | . | trans | -72.6 | 148.8 | 176.4 | -68.3 | 179.3 | 174.9 | 164.7 | -1.6 | 109.9 | Q351 H352 | R349-Q351 HydrophobicContact CB-CB 4.42Å; R349-Q351 PolarHBondContact O-N 3.03Å; R349-H352 PolarHBondContact O-N 2.86Å | ||
| 350 | P | 90.9 | Very high | 93.1 | Very high | 56 Ų | 56 | 57.1 Ų | 57.1 | 36% | 0.364 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -54 | -36.9 | 173.4 | -27.5 | 35.5 | 0 | 0 | 0 | 113 | Y286 H352 L353 | Y286-P350 WeakPolarHBondContact OH-CD 3.23Å; P350-H352 PolarHBondContact O-N 3.07Å; P350-L353 HydrophobicContact CB-CD1 4.36Å; P350-L353 PolarHBondContact O-N 2.94Å |
| 351 | Q | 91.8 | Very high | 93.3 | Very high | 146 Ų | 146 | 57 Ų | 57 | 68% | 0.682 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -56.9 | -8 | 174.8 | -66.4 | 172.2 | -38.8 | 0 | 0 | 115.8 | R349 | R349-Q351 HydrophobicContact CB-CB 4.42Å; R349-Q351 PolarHBondContact O-N 3.03Å |
| 352 | H | 91.8 | Very high | 93.3 | Very high | 57 Ų | 57 | 52 Ų | 52 | 26% | 0.264 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -127.3 | 12.1 | 179.5 | -55.4 | -41.5 | 0 | 0 | 0 | 112.1 | I319 L348 R349 P350 D354 D355 A356 | I319-H352 HydrophobicContact CD1-CB 4.11Å; I319-H352 HydrophobicContact CG2-CB 4.3Å; L348-H352 HydrophobicContact CD1-CB 3.77Å; R349-H352 PolarHBondContact O-N 2.86Å; P350-H352 PolarHBondContact O-N 3.07Å; H352-D354 VanDerWaalsContact C-N 3.29Å; H352-D354 PolarHBondContact O-N 2.86Å; H352-D355 PolarHBondContact O-N 3.3Å; H352-A356 WeakPolarHBondContact O-CB 3.27Å; H352-A356 PolarHBondContact O-N 3.09Å; H352-A356 VanDerWaalsContact O-N 3.09Å |
| 353 | L | 90.4 | Very high | 93.1 | Very high | 17 Ų | 17 | 49.4 Ų | 49.4 | 9% | 0.089 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -66 | -32 | 179 | -79.8 | 168.6 | 0 | 0 | 0 | 112.8 | Y286 L348 P350 W395 I399 | Y286-L353 HydrophobicContact CD1-CD1 4.22Å; Y286-L353 HydrophobicContact CD1-CD2 4.34Å; Y286-L353 HydrophobicContact CD2-CD2 4.11Å; Y286-L353 HydrophobicContact CE1-CD1 3.78Å; Y286-L353 HydrophobicContact CE1-CD2 4.24Å; Y286-L353 HydrophobicContact CE1-CG 4.43Å; Y286-L353 HydrophobicContact CE2-CD2 4.02Å; Y286-L353 HydrophobicContact CG-CD2 4.28Å; L348-L353 HydrophobicContact CD2-CD2 3.85Å; L348-L353 HydrophobicContact CG-CD2 4.48Å; P350-L353 HydrophobicContact CB-CD1 4.36Å; P350-L353 PolarHBondContact O-N 2.94Å; L353-W395 HydrophobicContact CD2-CZ2 4.33Å; L353-W395 WeakPolarHBondContact O-CZ2 3.29Å; L353-W395 PolarHBondContact O-NE1 3.46Å; L353-I399 HydrophobicContact CB-CD1 4.41Å; L353-I399 HydrophobicContact CD2-CD1 4.35Å; L353-I399 HydrophobicContact CD2-CG1 4.45Å |
| 354 | D | 91.4 | Very high | 92.6 | Very high | 98 Ų | 98 | 42.4 Ų | 42.4 | 52% | 0.524 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -85.6 | -17.3 | 179.7 | -56.5 | -59.2 | 0 | 0 | 0 | 112.8 | H352 P383 M385 | H352-D354 VanDerWaalsContact C-N 3.29Å; H352-D354 PolarHBondContact O-N 2.86Å; D354-P383 WeakPolarHBondContact O-CG 3.45Å; D354-M385 WeakPolarHBondContact O-CE 3.33Å |
| 355 | D | 93.2 | Very high | 91.5 | Very high | 42 Ų | 42 | 44.1 Ų | 44.1 | 23% | 0.225 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -103.2 | -2.6 | 179.7 | -56.5 | -40 | 0 | 0 | 0 | 113.8 | I319 H320 H352 Y386 | I319-D355 WeakPolarHBondContact CA-O 3.49Å; I319-D355 HydrophobicContact CG2-CB 4.19Å; H320-D355 IonicContact CE1-OD1 3.07Å; H320-D355 IonicContact CE1-OD2 3.03Å; H320-D355 PolarHBondContact CE1-OD2 2.88Å; H320-D355 PolarHBondContact N-O 3.36Å; H352-D355 PolarHBondContact O-N 3.3Å; D355-Y386 PolarHBondContact O-OH 3.37Å |
| 356 | A | 94.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 143.1 | -172 | 0 | 0 | 0 | 0 | 0 | 112.7 | L317 Q318 I319 L348 H352 P383 W395 | L317-A356 HydrophobicContact CD1-CB 4.1Å; Q318-A356 VanDerWaalsContact O-CA 3.26Å; Q318-A356 WeakPolarHBondContact O-CA 3.36Å; I319-A356 HydrophobicContact CG1-CB 4.04Å; L348-A356 HydrophobicContact CD1-CB 3.78Å; L348-A356 HydrophobicContact CD2-CB 3.96Å; H352-A356 WeakPolarHBondContact O-CB 3.27Å; H352-A356 PolarHBondContact O-N 3.09Å; H352-A356 VanDerWaalsContact O-N 3.09Å; A356-P383 WeakPolarHBondContact O-CD 3.49Å; A356-W395 HydrophobicContact CB-CZ2 4.46Å; A356-W395 WeakPolarHBondContact O-CZ2 3.37Å |
| 357 | C | 95.1 | Very high | 88.3 | Confident | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.02 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 154.2 | 168.2 | 69.3 | 0 | 0 | 0 | 0 | 112 | Q318 V380 L381 Y386 | Q318-C357 PolarHBondContact N-O 3.22Å; Q318-C357 PolarHBondContact O-N 2.75Å; C357-V380 HydrophobicContact CB-CG1 3.97Å; C357-L381 CarbonylContact C-O 3.57Å; C357-L381 WeakPolarHBondContact CA-O 3.5Å; C357-L381 WeakPolarHBondContact CB-O 3.33Å; C357-Y386 HydrophobicContact CB-CD1 3.87Å; C357-Y386 HydrophobicContact CB-CD2 4.05Å; C357-Y386 HydrophobicContact CB-CE1 4.47Å; C357-Y386 HydrophobicContact CB-CG 3.63Å; C357-Y386 WeakPolarHBondContact SG-CD1 3.48Å |
| 358 | L | 95.9 | Very high | 86.4 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 110.7 | 169 | -66.9 | 177.7 | 0 | 0 | 0 | 108.6 | L284 L293 L295 V315 S316 L317 F346 V380 L381 W395 | L284-L358 HydrophobicContact CD2-CD1 3.87Å; L293-L358 HydrophobicContact CD2-CD1 3.88Å; L293-L358 HydrophobicContact CD2-CD2 4Å; L293-L358 HydrophobicContact CD2-CG 3.99Å; L293-L358 HydrophobicContact CG-CD1 4.31Å; L295-L358 HydrophobicContact CB-CD1 4.48Å; L295-L358 HydrophobicContact CD1-CD1 3.72Å; V315-L358 HydrophobicContact CG1-CB 4.29Å; V315-L358 HydrophobicContact CG1-CD2 4.2Å; S316-L358 WeakPolarHBondContact O-CA 3.39Å; L317-L358 HydrophobicContact CB-CD2 3.99Å; L317-L358 HydrophobicContact CD1-CD2 3.92Å; F346-L358 HydrophobicContact CD2-CD2 4.05Å; F346-L358 HydrophobicContact CE2-CD2 3.86Å; F346-L358 HydrophobicContact CZ-CD2 4.33Å; L358-V380 WeakPolarHBondContact O-CA 3.38Å; L358-L381 HydrophobicContact CB-CB 4.49Å; L358-L381 PolarHBondContact N-O 3.3Å; L358-L381 PolarHBondContact O-N 3.47Å; L358-W395 HydrophobicContact CD1-CZ3 4.25Å; L358-W395 HydrophobicContact CG-CZ3 4.16Å |
| 359 | R | 94.4 | Very high | 84.7 | Confident | 80 Ų | 80 | 62 Ų | 62 | 30% | 0.302 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 109.5 | 169.4 | 177.9 | 179.2 | 172.2 | 115.9 | -1 | 108.9 | V315 S316 E361 V378 V380 | V315-R359 WeakPolarHBondContact CA-O 3.45Å; S316-R359 PolarHBondContact N-O 2.89Å; S316-R359 PolarHBondContact O-N 2.92Å; R359-E361 HydrophobicContact CG-CG 4.25Å; R359-E361 IonicContact CZ-OE1 2.71Å; R359-E361 IonicContact NE-OE1 3.16Å; R359-E361 PolarHBondContact NE-OE1 3.39Å; R359-E361 IonicContact NH2-OE1 2.64Å; R359-E361 PolarHBondContact NH2-OE1 3.47Å; R359-E361 VanDerWaalsContact NH2-OE1 3.07Å; R359-V378 HydrophobicContact CG-CG1 4.33Å; R359-V380 HydrophobicContact CB-CG2 4.42Å; R359-V380 HydrophobicContact CG-CG2 4.33Å |
| 360 | F | 94.3 | Very high | 82.8 | Confident | 3 Ų | 3 | 60.8 Ų | 60.8 | 1% | 0.013 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 138.9 | 174 | 170.4 | -69.9 | 0 | 0 | 0 | 109.6 | V280 I282 V297 V313 Q314 V315 L362 V378 L379 L412 | V280-F360 HydrophobicContact CB-CZ 4.16Å; V280-F360 HydrophobicContact CG1-CE1 4.18Å; V280-F360 HydrophobicContact CG1-CE2 4.43Å; V280-F360 HydrophobicContact CG1-CZ 4.05Å; V280-F360 HydrophobicContact CG2-CE2 3.9Å; V280-F360 HydrophobicContact CG2-CZ 3.69Å; I282-F360 HydrophobicContact CD1-CD2 3.8Å; I282-F360 HydrophobicContact CD1-CE2 4.13Å; I282-F360 HydrophobicContact CD1-CG 4.35Å; V297-F360 HydrophobicContact CG1-CE2 4.08Å; V297-F360 HydrophobicContact CG2-CD2 4.5Å; V297-F360 HydrophobicContact CG2-CE2 4.01Å; V313-F360 HydrophobicContact CB-CE2 4.36Å; V313-F360 HydrophobicContact CB-CZ 4.44Å; V313-F360 HydrophobicContact CG1-CD2 3.75Å; V313-F360 HydrophobicContact CG1-CE2 3.31Å; V313-F360 HydrophobicContact CG1-CZ 3.73Å; V313-F360 HydrophobicContact CG2-CE2 4.08Å; V313-F360 HydrophobicContact CG2-CZ 3.81Å; Q314-F360 CarbonylContact O-C 3.56Å; V315-F360 HydrophobicContact CG2-CB 4.33Å; V315-F360 HydrophobicContact CG2-CD2 3.9Å; V315-F360 HydrophobicContact CG2-CG 4.45Å; F360-L362 HydrophobicContact CE1-CB 4.11Å; F360-V378 WeakPolarHBondContact O-CA 3.47Å; F360-L379 HydrophobicContact CB-CB 4.12Å; F360-L379 HydrophobicContact CD1-CB 4.02Å; F360-L379 HydrophobicContact CG-CB 4.37Å; F360-L379 PolarHBondContact N-O 2.92Å; F360-L379 PolarHBondContact O-N 2.85Å; F360-L412 HydrophobicContact CD1-CD2 4.17Å; F360-L412 HydrophobicContact CE1-CD2 3.65Å |
| 361 | E | 92.4 | Very high | 81.3 | Confident | 16 Ų | 16 | 63.9 Ų | 63.9 | 8% | 0.075 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 119.8 | -179.2 | -60.9 | 177.9 | 151 | 0 | 0 | 109.2 | Q314 R359 Q363 L375 G377 | Q314-E361 HydrophobicContact CB-CB 4.31Å; Q314-E361 PolarHBondContact N-O 3.27Å; Q314-E361 PolarHBondContact NE2-OE2 3.38Å; Q314-E361 PolarHBondContact O-N 3.37Å; R359-E361 HydrophobicContact CG-CG 4.25Å; R359-E361 IonicContact CZ-OE1 2.71Å; R359-E361 IonicContact NE-OE1 3.16Å; R359-E361 PolarHBondContact NE-OE1 3.39Å; R359-E361 IonicContact NH2-OE1 2.64Å; R359-E361 PolarHBondContact NH2-OE1 3.47Å; R359-E361 VanDerWaalsContact NH2-OE1 3.07Å; E361-Q363 PolarHBondContact OE2-NE2 3.48Å; E361-L375 HydrophobicContact CB-CD1 4.31Å; E361-L375 HydrophobicContact CB-CD2 4.45Å; E361-L375 HydrophobicContact CB-CG 4.42Å; E361-L375 HydrophobicContact CG-CD1 4.25Å; E361-G377 WeakPolarHBondContact CA-O 3.47Å |
| 362 | L | 90.4 | Very high | 79.8 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 128.3 | 169.7 | -174.9 | 70.5 | 0 | 0 | 0 | 108.9 | L303 V311 V313 F340 F360 L375 L376 G377 L412 | L303-L362 HydrophobicContact CD1-CD2 3.86Å; L303-L362 HydrophobicContact CD2-CD2 3.51Å; L303-L362 HydrophobicContact CG-CD2 4.34Å; V311-L362 HydrophobicContact CB-CD1 4.05Å; V311-L362 HydrophobicContact CG2-CD1 4.38Å; V313-L362 HydrophobicContact CG2-CD1 3.72Å; F340-L362 HydrophobicContact CZ-CD1 3.92Å; F360-L362 HydrophobicContact CE1-CB 4.11Å; L362-L375 CarbonylContact O-C 3.58Å; L362-L375 WeakPolarHBondContact O-CD2 3.45Å; L362-L376 HydrophobicContact CB-CB 4.32Å; L362-L376 HydrophobicContact CD2-CB 3.91Å; L362-L376 HydrophobicContact CD2-CD1 4.13Å; L362-L376 HydrophobicContact CG-CB 4.05Å; L362-L376 HydrophobicContact CG-CD1 4.18Å; L362-L376 PolarHBondContact O-N 2.98Å; L362-G377 PolarHBondContact N-O 2.85Å; L362-G377 PolarHBondContact O-N 2.86Å; L362-L412 HydrophobicContact CD2-CD1 3.74Å |
| 363 | Q | 88.6 | Confident | 78.5 | Confident | 5 Ų | 5 | 61.8 Ų | 61.8 | 2% | 0.023 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 137 | -172.5 | -68.4 | 170.3 | 6.1 | 0 | 0 | 110.7 | C312 E361 P373 A374 L375 | C312-Q363 PolarHBondContact N-O 2.94Å; C312-Q363 PolarHBondContact O-N 2.85Å; C312-Q363 VanDerWaalsContact O-O 3.14Å; C312-Q363 PolarHBondContact SG-O 2.99Å; E361-Q363 PolarHBondContact OE2-NE2 3.48Å; Q363-P373 HydrophobicContact CB-CB 4.31Å; Q363-P373 HydrophobicContact CG-CB 4.43Å; Q363-P373 HydrophobicContact CG-CG 4.41Å; Q363-A374 WeakPolarHBondContact CA-O 3.44Å; Q363-L375 HydrophobicContact CG-CG 4.16Å |
| 364 | H | 83.1 | Confident | 77.8 | Confident | 16 Ų | 16 | 63.8 Ų | 63.8 | 7% | 0.074 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 141.1 | 159.3 | -86.8 | -52.7 | 0 | 0 | 0 | 109.2 | T307 G310 N366 A374 | T307-H364 PolarHBondContact O-CE1 3.43Å; G310-H364 PolarHBondContact O-ND1 2.89Å; H364-N366 PolarHBondContact O-N 3.25Å; H364-A374 HydrophobicContact CB-CB 4.34Å; H364-A374 PolarHBondContact N-O 3.47Å |
| 365 | P | 72.2 | Confident | 77.5 | Confident | 41 Ų | 41 | 61.9 Ų | 61.9 | 27% | 0.266 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 117.3 | 171.3 | 30.1 | -31.6 | 0 | 0 | 0 | 109 | A309 G310 V331 | A309-P365 HydrophobicContact CB-CG 4.13Å; A309-P365 WeakPolarHBondContact O-CG 3.09Å; G310-P365 WeakPolarHBondContact O-CD 3.2Å; V331-P365 HydrophobicContact CG1-CG 3.89Å; V331-P365 HydrophobicContact CG2-CB 3.7Å; V331-P365 HydrophobicContact CG2-CG 3.93Å |
| 366 | N | 66.1 | Low | 77 | Confident | 66 Ų | 66 | 61.1 Ų | 61.1 | 35% | 0.353 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -89.3 | 124.9 | 169.9 | -158.1 | -11.3 | 0 | 0 | 0 | 108.7 | H364 N368 E371 | H364-N366 PolarHBondContact O-N 3.25Å; N366-N368 PolarHBondContact OD1-N 3.46Å; N366-E371 WeakPolarHBondContact ND2-CB 3.45Å; N366-E371 PolarHBondContact ND2-OE2 3.32Å |
| 367 | D | 55.1 | Low | 76.6 | Confident | 169 Ų | 169 | 61.1 Ų | 61.1 | 90% | 0.904 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -75.6 | -31.7 | -178.7 | -140.3 | 9.5 | 0 | 0 | 0 | 110.4 | R369 | D367-R369 PolarHBondContact O-N 3.45Š|
| 368 | N | 56 | Low | 76.4 | Confident | 104 Ų | 104 | 61.9 Ų | 61.9 | 56% | 0.556 | 33% | 0.328 | S | S | * | . | trans | -77.8 | 110.2 | 171.7 | -97.1 | -17.6 | 0 | 0 | 0 | 111.3 | N366 S370 E371 | N366-N368 PolarHBondContact OD1-N 3.46Å; N368-S370 PolarHBondContact O-N 2.83Å; N368-E371 PolarHBondContact O-N 3.02Å | ||
| 369 | R | 56.5 | Low | 76.3 | Confident | 254 Ų | 254 | 62.1 Ų | 62.1 | 96% | 0.958 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -9.2 | 175.9 | -110.6 | 179.3 | 176.1 | -91.8 | 6.3 | 115.7 | D367 | D367-R369 PolarHBondContact O-N 3.45Š|
| 370 | S | 54.1 | Low | 76.3 | Confident | 102 Ų | 102 | 60.4 Ų | 60.4 | 71% | 0.713 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -17.8 | -175 | 51.4 | 0 | 0 | 0 | 0 | 114.5 | N368 | N368-S370 PolarHBondContact O-N 2.83Š|
| 371 | E | 59.6 | Low | 76.3 | Confident | 121 Ų | 121 | 60.3 Ų | 60.3 | 57% | 0.565 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -110.4 | 147.6 | -178.3 | -75.1 | -176.1 | 165 | 0 | 0 | 111.4 | N366 N368 | N366-E371 WeakPolarHBondContact ND2-CB 3.45Å; N366-E371 PolarHBondContact ND2-OE2 3.32Å; N368-E371 PolarHBondContact O-N 3.02Å |
| 372 | P | 59.8 | Low | 76.4 | Confident | 110 Ų | 110 | 59.5 Ų | 59.5 | 71% | 0.714 | 32% | 0.323 | S | S | * | . | trans | -61.4 | 141.2 | 172.8 | 27.4 | -34 | 0 | 0 | 0 | 110.2 | A374 | P372-A374 PolarHBondContact O-N 3.44Š| ||
| 373 | P | 65.9 | Low | 76.5 | Confident | 49 Ų | 49 | 59.8 Ų | 59.8 | 32% | 0.318 | 33% | 0.325 | S | S | . | . | trans | -66 | 129.8 | 179.8 | 27.2 | -34 | 0 | 0 | 0 | 110.7 | Q363 L375 | Q363-P373 HydrophobicContact CB-CB 4.31Å; Q363-P373 HydrophobicContact CG-CB 4.43Å; Q363-P373 HydrophobicContact CG-CG 4.41Å; P373-L375 PolarHBondContact O-N 3.32Å; P373-L375 VanDerWaalsContact O-N 3.09Å | ||
| 374 | A | 75.9 | Confident | 76.5 | Confident | 58 Ų | 58 | 66.3 Ų | 66.3 | 48% | 0.479 | 35% | 0.353 | S | S | . | . | trans | -58.2 | 114.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q363 H364 P372 | Q363-A374 WeakPolarHBondContact CA-O 3.44Å; H364-A374 HydrophobicContact CB-CB 4.34Å; H364-A374 PolarHBondContact N-O 3.47Å; P372-A374 PolarHBondContact O-N 3.44Å | ||
| 375 | L | 83.8 | Confident | 76.7 | Confident | 59 Ų | 59 | 70.7 Ų | 70.7 | 31% | 0.309 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 113 | -169.9 | -154 | 170 | 0 | 0 | 0 | 109.7 | E361 L362 Q363 P373 G377 V378 | E361-L375 HydrophobicContact CB-CD1 4.31Å; E361-L375 HydrophobicContact CB-CD2 4.45Å; E361-L375 HydrophobicContact CB-CG 4.42Å; E361-L375 HydrophobicContact CG-CD1 4.25Å; L362-L375 CarbonylContact O-C 3.58Å; L362-L375 WeakPolarHBondContact O-CD2 3.45Å; Q363-L375 HydrophobicContact CG-CG 4.16Å; P373-L375 PolarHBondContact O-N 3.32Å; P373-L375 VanDerWaalsContact O-N 3.09Å; L375-G377 VanDerWaalsContact CD2-C 3.46Å; L375-G377 WeakPolarHBondContact CD2-O 3.43Å; L375-V378 HydrophobicContact CD1-CG2 4.08Å; L375-V378 HydrophobicContact CD2-CG2 3.53Å; L375-V378 HydrophobicContact CG-CG2 4.49Å |
| 376 | L | 82.2 | Confident | 77.5 | Confident | 26 Ų | 26 | 72 Ų | 72 | 14% | 0.136 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | -32.6 | -175.8 | -70.9 | 170.4 | 0 | 0 | 0 | 113.3 | L277 L305 V311 L362 | L277-L376 WeakPolarHBondContact CD1-O 3.48Å; L305-L376 HydrophobicContact CD2-CD1 3.77Å; V311-L376 HydrophobicContact CG1-CD1 3.48Å; V311-L376 VanDerWaalsContact CG1-CD1 3.48Å; L362-L376 HydrophobicContact CB-CB 4.32Å; L362-L376 HydrophobicContact CD2-CB 3.91Å; L362-L376 HydrophobicContact CD2-CD1 4.13Å; L362-L376 HydrophobicContact CG-CB 4.05Å; L362-L376 HydrophobicContact CG-CD1 4.18Å; L362-L376 PolarHBondContact O-N 2.98Å |
| 377 | G | 87.6 | Confident | 78.6 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.1 | 143.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | E361 L362 L375 G413 | E361-G377 WeakPolarHBondContact CA-O 3.47Å; L362-G377 PolarHBondContact N-O 2.85Å; L362-G377 PolarHBondContact O-N 2.86Å; L375-G377 VanDerWaalsContact CD2-C 3.46Å; L375-G377 WeakPolarHBondContact CD2-O 3.43Å; G377-G413 CarbonylContact C-O 3.56Å; G377-G413 WeakPolarHBondContact CA-O 3.44Å |
| 378 | V | 91.4 | Very high | 80 | Confident | 18 Ų | 18 | 71.2 Ų | 71.2 | 11% | 0.109 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 147.3 | 176.3 | -173.1 | 0 | 0 | 0 | 0 | 109.7 | R359 F360 L375 G413 A415 | R359-V378 HydrophobicContact CG-CG1 4.33Å; F360-V378 WeakPolarHBondContact O-CA 3.47Å; L375-V378 HydrophobicContact CD1-CG2 4.08Å; L375-V378 HydrophobicContact CD2-CG2 3.53Å; L375-V378 HydrophobicContact CG-CG2 4.49Å; V378-G413 PolarHBondContact N-O 3.08Å; V378-G413 PolarHBondContact O-N 3.5Å; V378-A415 HydrophobicContact CG2-CB 3.94Å |
| 379 | L | 92.9 | Very high | 81.5 | Confident | 7 Ų | 7 | 68.8 Ų | 68.8 | 4% | 0.037 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 141.2 | 170.3 | 174.9 | 71 | 0 | 0 | 0 | 109.1 | V280 I282 F360 L381 Q391 H410 | V280-L379 HydrophobicContact CG1-CD2 3.96Å; I282-L379 HydrophobicContact CD1-CD2 3.53Å; F360-L379 HydrophobicContact CB-CB 4.12Å; F360-L379 HydrophobicContact CD1-CB 4.02Å; F360-L379 HydrophobicContact CG-CB 4.37Å; F360-L379 PolarHBondContact N-O 2.92Å; F360-L379 PolarHBondContact O-N 2.85Å; L379-L381 HydrophobicContact CD1-CD2 4.39Å; L379-L381 HydrophobicContact CD2-CD2 4.19Å; L379-L381 HydrophobicContact CD2-CG 4.31Å; L379-L381 HydrophobicContact CG-CD2 4.24Å; L379-L381 HydrophobicContact CG-CG 4.38Å; L379-Q391 HydrophobicContact CD1-CG 3.52Å; L379-H410 HydrophobicContact CD1-CB 3.89Å; L379-H410 HydrophobicContact CD2-CB 3.43Å; L379-H410 VanDerWaalsContact CD2-CB 3.43Å; L379-H410 HydrophobicContact CG-CB 4.32Å |
| 380 | V | 94.4 | Very high | 83 | Confident | 43 Ų | 43 | 61.3 Ų | 61.3 | 26% | 0.261 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 125.3 | 173.3 | -178.8 | 0 | 0 | 0 | 0 | 108.7 | C357 L358 R359 Q391 | C357-V380 HydrophobicContact CB-CG1 3.97Å; L358-V380 WeakPolarHBondContact O-CA 3.38Å; R359-V380 HydrophobicContact CB-CG2 4.42Å; R359-V380 HydrophobicContact CG-CG2 4.33Å; V380-Q391 WeakPolarHBondContact O-CB 3.41Å; V380-Q391 WeakPolarHBondContact O-CG 3.3Å |
| 381 | L | 95 | Very high | 84.8 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 133.5 | 173.3 | -57.4 | 177.8 | 0 | 0 | 0 | 108.5 | I282 L284 C357 L358 L379 Q391 | I282-L381 HydrophobicContact CD1-CD1 4.01Å; I282-L381 HydrophobicContact CG2-CD1 4.13Å; L284-L381 HydrophobicContact CD1-CD1 4.07Å; L284-L381 HydrophobicContact CG-CD1 4.5Å; C357-L381 CarbonylContact C-O 3.57Å; C357-L381 WeakPolarHBondContact CA-O 3.5Å; C357-L381 WeakPolarHBondContact CB-O 3.33Å; L358-L381 HydrophobicContact CB-CB 4.49Å; L358-L381 PolarHBondContact N-O 3.3Å; L358-L381 PolarHBondContact O-N 3.47Å; L379-L381 HydrophobicContact CD1-CD2 4.39Å; L379-L381 HydrophobicContact CD2-CD2 4.19Å; L379-L381 HydrophobicContact CD2-CG 4.31Å; L379-L381 HydrophobicContact CG-CD2 4.24Å; L379-L381 HydrophobicContact CG-CG 4.38Å; L381-Q391 HydrophobicContact CD2-CB 3.84Å; L381-Q391 HydrophobicContact CD2-CG 3.8Å |
| 382 | G | 93.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | trans | 173.5 | -177.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | W395 | G382-W395 VanDerWaalsContact C-CD1 3.47Å; G382-W395 VanDerWaalsContact O-CB 3.3Å; G382-W395 WeakPolarHBondContact O-CB 3.39Å | ||
| 383 | P | 92.4 | Very high | 87.8 | Confident | 6 Ų | 6 | 54 Ų | 54 | 4% | 0.039 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -73.2 | 177.4 | 174.9 | 32 | -33.3 | 0 | 0 | 0 | 111 | D354 A356 M385 Y386 A387 | D354-P383 WeakPolarHBondContact O-CG 3.45Å; A356-P383 WeakPolarHBondContact O-CD 3.49Å; P383-M385 PolarHBondContact O-N 2.93Å; P383-Y386 HydrophobicContact CG-CD2 3.95Å; P383-Y386 HydrophobicContact CG-CE2 4.42Å; P383-Y386 PolarHBondContact O-N 3.46Å; P383-A387 PolarHBondContact O-N 2.98Å; P383-A387 VanDerWaalsContact O-N 3.09Å |
| 384 | F | 88.1 | Confident | 89.1 | Confident | 142 Ų | 142 | 51.6 Ų | 51.6 | 62% | 0.623 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -21.1 | -166 | 74 | -85 | 0 | 0 | 0 | 115.5 | L392 | F384-L392 HydrophobicContact CB-CD1 4.26Å; F384-L392 HydrophobicContact CB-CD2 4.16Å |
| 385 | M | 88.8 | Confident | 90 | Very high | 108 Ų | 108 | 49 Ų | 49 | 53% | 0.532 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -27.9 | 175.1 | -62.3 | -160.1 | -69.2 | 0 | 0 | 113.1 | D354 P383 | D354-M385 WeakPolarHBondContact O-CE 3.33Å; P383-M385 PolarHBondContact O-N 2.93Å |
| 386 | Y | 88.5 | Confident | 90.4 | Very high | 70 Ų | 70 | 50.9 Ų | 50.9 | 28% | 0.275 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | -26.6 | -173.7 | -61.7 | -84.3 | 0 | 0 | 0 | 113.8 | H320 D355 C357 P383 | H320-Y386 VanDerWaalsContact CA-OH 3.23Å; H320-Y386 WeakPolarHBondContact CA-OH 3.39Å; H320-Y386 PolarHBondContact N-OH 3.34Å; H320-Y386 PolarHBondContact O-OH 3.48Å; D355-Y386 PolarHBondContact O-OH 3.37Å; C357-Y386 HydrophobicContact CB-CD1 3.87Å; C357-Y386 HydrophobicContact CB-CD2 4.05Å; C357-Y386 HydrophobicContact CB-CE1 4.47Å; C357-Y386 HydrophobicContact CB-CG 3.63Å; C357-Y386 WeakPolarHBondContact SG-CD1 3.48Å; P383-Y386 HydrophobicContact CG-CD2 3.95Å; P383-Y386 HydrophobicContact CG-CE2 4.42Å; P383-Y386 PolarHBondContact O-N 3.46Å |
| 387 | A | 88.3 | Confident | 90.9 | Very high | 9 Ų | 9 | 51.4 Ų | 51.4 | 7% | 0.074 | 26% | 0.255 | C | S | . | . | trans | -138.7 | 158.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | P383 Q391 L392 | P383-A387 PolarHBondContact O-N 2.98Å; P383-A387 VanDerWaalsContact O-N 3.09Å; A387-Q391 HydrophobicContact CB-CB 3.81Å; A387-L392 HydrophobicContact CB-CB 4.32Å | ||
| 388 | R | 84.5 | Confident | 91.2 | Very high | 208 Ų | 208 | 51.4 Ų | 51.4 | 79% | 0.785 | 26% | 0.255 | S | S | * | . | trans | -141.3 | 162.2 | 176.5 | -62.6 | -178.9 | -176.8 | 147.3 | 3 | 109.2 | Q391 | R388-Q391 PolarHBondContact O-OE1 3.46Š| ||
| 389 | G | 89.2 | Confident | 91.2 | Very high | 54 Ų | 54 | 53.2 Ų | 53.2 | 56% | 0.557 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | -139.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | Q391 L392 Q393 | G389-Q391 PolarHBondContact O-N 3.29Å; G389-L392 PolarHBondContact O-N 2.96Å; G389-L392 VanDerWaalsContact O-N 3.11Å; G389-Q393 PolarHBondContact O-N 2.91Å |
| 390 | L | 87.7 | Confident | 91 | Very high | 96 Ų | 96 | 58.5 Ų | 58.5 | 50% | 0.503 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -56.8 | -35.3 | -176.6 | -67.3 | 172.1 | 0 | 0 | 0 | 113.2 | Q393 H394 | L390-Q393 PolarHBondContact O-N 3.2Å; L390-H394 WeakPolarHBondContact O-CB 3.35Å; L390-H394 PolarHBondContact O-N 2.99Å |
| 391 | Q | 90.3 | Very high | 90.4 | Very high | 48 Ų | 48 | 61.4 Ų | 61.4 | 22% | 0.224 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.9 | -38.3 | 179.1 | -70 | 83.4 | -6.3 | 0 | 0 | 112.6 | L379 V380 L381 A387 R388 G389 | L379-Q391 HydrophobicContact CD1-CG 3.52Å; V380-Q391 WeakPolarHBondContact O-CB 3.41Å; V380-Q391 WeakPolarHBondContact O-CG 3.3Å; L381-Q391 HydrophobicContact CD2-CB 3.84Å; L381-Q391 HydrophobicContact CD2-CG 3.8Å; A387-Q391 HydrophobicContact CB-CB 3.81Å; R388-Q391 PolarHBondContact O-OE1 3.46Å; G389-Q391 PolarHBondContact O-N 3.29Å |
| 392 | L | 91.8 | Very high | 89.3 | Confident | 36 Ų | 36 | 63.5 Ų | 63.5 | 19% | 0.188 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -72.4 | -43.9 | 172.6 | 175.6 | 58.3 | 0 | 0 | 0 | 110.9 | F384 A387 G389 H394 W395 M396 | F384-L392 HydrophobicContact CB-CD1 4.26Å; F384-L392 HydrophobicContact CB-CD2 4.16Å; A387-L392 HydrophobicContact CB-CB 4.32Å; G389-L392 PolarHBondContact O-N 2.96Å; G389-L392 VanDerWaalsContact O-N 3.11Å; L392-H394 VanDerWaalsContact C-N 3.29Å; L392-H394 PolarHBondContact O-N 3.5Å; L392-W395 WeakPolarHBondContact O-CB 3.32Å; L392-W395 PolarHBondContact O-N 3.02Å; L392-W395 VanDerWaalsContact O-N 3.13Å; L392-M396 HydrophobicContact CD1-CG 4.1Å; L392-M396 HydrophobicContact CD1-SD 4.19Å; L392-M396 HydrophobicContact CG-CG 4.42Å; L392-M396 HydrophobicContact CG-SD 4.15Å; L392-M396 WeakPolarHBondContact O-CG 3.39Å; L392-M396 PolarHBondContact O-N 2.94Å |
| 393 | Q | 91.4 | Very high | 88.4 | Confident | 95 Ų | 95 | 68.7 Ų | 68.7 | 44% | 0.444 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.2 | -42.2 | 178.3 | -168.5 | -170.4 | -30.7 | 0 | 0 | 111.3 | G389 L390 W395 M396 D397 M408 | G389-Q393 PolarHBondContact O-N 2.91Å; L390-Q393 PolarHBondContact O-N 3.2Å; Q393-W395 VanDerWaalsContact C-N 3.3Å; Q393-W395 PolarHBondContact O-N 3.5Å; Q393-M396 PolarHBondContact O-N 3.43Å; Q393-D397 PolarHBondContact NE2-OD2 2.98Å; Q393-D397 WeakPolarHBondContact O-CB 3.43Å; Q393-D397 PolarHBondContact O-N 3.44Å; Q393-M408 HydrophobicContact CG-CE 4.22Å |
| 394 | H | 93.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.6 | -35.2 | 178.3 | -162.3 | -165.9 | 0 | 0 | 0 | 112.9 | I282 S283 L284 L390 L392 M398 V406 R407 M408 H410 | I282-H394 WeakPolarHBondContact CB-CE1 3.4Å; I282-H394 WeakPolarHBondContact CG2-CE1 3.48Å; I282-H394 PolarHBondContact O-CE1 3.3Å; S283-H394 PolarHBondContact N-CE1 3.43Å; L284-H394 HydrophobicContact CD1-CB 4.48Å; L284-H394 PolarHBondContact N-NE2 3.03Å; L284-H394 VanDerWaalsContact N-NE2 3.11Å; L390-H394 WeakPolarHBondContact O-CB 3.35Å; L390-H394 PolarHBondContact O-N 2.99Å; L392-H394 VanDerWaalsContact C-N 3.29Å; L392-H394 PolarHBondContact O-N 3.5Å; H394-M398 VanDerWaalsContact O-CB 3.26Å; H394-M398 WeakPolarHBondContact O-CB 3.49Å; H394-M398 PolarHBondContact O-N 3.33Å; H394-M398 VanDerWaalsContact O-N 3.12Å; H394-V406 WeakPolarHBondContact NE2-CB 3.31Å; H394-V406 PolarHBondContact NE2-O 3.44Å; H394-R407 PolarHBondContact NE2-N 2.94Å; H394-M408 HydrophobicContact CB-CE 4.18Å; H394-M408 HydrophobicContact CB-CG 4.37Å; H394-M408 HydrophobicContact CB-SD 3.49Å; H394-M408 WeakPolarHBondContact CB-SD 3.41Å; H394-H410 AromaticContact CG-NE2 3.59Å; H394-H410 AromaticContact ND1-CD2 3.89Å; H394-H410 AromaticContact ND1-CE1 3.77Å; H394-H410 AromaticContact ND1-NE2 2.9Å; H394-H410 PolarHBondContact ND1-NE2 3.06Å |
| 395 | W | 94.7 | Very high | 88.2 | Confident | 2 Ų | 2 | 70.8 Ų | 70.8 | 1% | 0.008 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -70 | -43.8 | 174.7 | -168.4 | -101.3 | 0 | 0 | 0 | 111.9 | L284 L293 L348 L353 A356 L358 G382 L392 Q393 M398 I399 | L284-W395 HydrophobicContact CD1-CE3 4.39Å; L293-W395 HydrophobicContact CD1-CZ3 4.48Å; L293-W395 HydrophobicContact CD2-CH2 3.79Å; L293-W395 HydrophobicContact CD2-CZ3 3.98Å; L348-W395 HydrophobicContact CD2-CH2 4.21Å; L348-W395 HydrophobicContact CD2-CZ2 4.43Å; L353-W395 HydrophobicContact CD2-CZ2 4.33Å; L353-W395 WeakPolarHBondContact O-CZ2 3.29Å; L353-W395 PolarHBondContact O-NE1 3.46Å; A356-W395 HydrophobicContact CB-CZ2 4.46Å; A356-W395 WeakPolarHBondContact O-CZ2 3.37Å; L358-W395 HydrophobicContact CD1-CZ3 4.25Å; L358-W395 HydrophobicContact CG-CZ3 4.16Å; G382-W395 VanDerWaalsContact C-CD1 3.47Å; G382-W395 VanDerWaalsContact O-CB 3.3Å; G382-W395 WeakPolarHBondContact O-CB 3.39Å; L392-W395 WeakPolarHBondContact O-CB 3.32Å; L392-W395 PolarHBondContact O-N 3.02Å; L392-W395 VanDerWaalsContact O-N 3.13Å; Q393-W395 VanDerWaalsContact C-N 3.3Å; Q393-W395 PolarHBondContact O-N 3.5Å; W395-M398 HydrophobicContact CD2-CE 3.67Å; W395-M398 HydrophobicContact CE3-CE 3.61Å; W395-M398 HydrophobicContact CE3-SD 4.41Å; W395-M398 HydrophobicContact CG-CE 4.28Å; W395-M398 HydrophobicContact CH2-CE 4.21Å; W395-M398 HydrophobicContact CZ2-CE 4.24Å; W395-M398 HydrophobicContact CZ3-CE 3.89Å; W395-M398 WeakPolarHBondContact O-CB 3.28Å; W395-M398 PolarHBondContact O-N 3.03Å; W395-I399 HydrophobicContact CG-CD1 4.49Å; W395-I399 WeakPolarHBondContact O-CG1 3.46Å; W395-I399 PolarHBondContact O-N 2.95Å; W395-I399 VanDerWaalsContact O-N 3.13Å |
| 396 | M | 93 | Very high | 88.5 | Confident | 100 Ų | 100 | 66.5 Ų | 66.5 | 49% | 0.493 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.6 | -45.5 | 177.4 | -66.9 | -172 | 74.7 | 0 | 0 | 112 | L392 Q393 M398 I399 N400 | L392-M396 HydrophobicContact CD1-CG 4.1Å; L392-M396 HydrophobicContact CD1-SD 4.19Å; L392-M396 HydrophobicContact CG-CG 4.42Å; L392-M396 HydrophobicContact CG-SD 4.15Å; L392-M396 WeakPolarHBondContact O-CG 3.39Å; L392-M396 PolarHBondContact O-N 2.94Å; Q393-M396 PolarHBondContact O-N 3.43Å; M396-M398 VanDerWaalsContact C-N 3.29Å; M396-M398 PolarHBondContact O-N 3.38Å; M396-I399 PolarHBondContact O-N 3.4Å; M396-I399 VanDerWaalsContact O-N 3.13Å; M396-N400 WeakPolarHBondContact O-CB 3.37Å; M396-N400 PolarHBondContact O-N 3.33Å; M396-N400 PolarHBondContact O-ND2 2.98Å |
| 397 | D | 92 | Very high | 88.7 | Confident | 36 Ų | 36 | 71.1 Ų | 71.1 | 19% | 0.193 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.8 | -36.7 | 176.8 | -79.4 | -24.6 | 0 | 0 | 0 | 111.7 | Q393 K401 V406 M408 | Q393-D397 PolarHBondContact NE2-OD2 2.98Å; Q393-D397 WeakPolarHBondContact O-CB 3.43Å; Q393-D397 PolarHBondContact O-N 3.44Å; D397-K401 VanDerWaalsContact O-CB 3.3Å; D397-K401 WeakPolarHBondContact O-CB 3.42Å; D397-K401 PolarHBondContact O-N 3.07Å; D397-V406 HydrophobicContact CB-CG1 4.03Å; D397-V406 HydrophobicContact CB-CG2 4.32Å; D397-M408 HydrophobicContact CB-CE 4.15Å; D397-M408 WeakPolarHBondContact OD2-CE 3.37Å |
| 398 | M | 94.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.3 | -39 | 173.3 | 173.7 | -160.8 | 69.8 | 0 | 0 | 112.9 | L284 L293 H394 W395 M396 | L284-M398 HydrophobicContact CB-CB 3.99Å; L284-M398 HydrophobicContact CB-CG 3.87Å; L284-M398 HydrophobicContact CB-SD 3.75Å; L284-M398 HydrophobicContact CD1-CB 4.48Å; L284-M398 HydrophobicContact CD1-SD 3.95Å; L284-M398 HydrophobicContact CD2-SD 4.23Å; L284-M398 HydrophobicContact CG-SD 4.21Å; L293-M398 HydrophobicContact CD1-CE 4.01Å; L293-M398 HydrophobicContact CD1-SD 3.27Å; L293-M398 WeakPolarHBondContact CD1-SD 3.38Å; H394-M398 VanDerWaalsContact O-CB 3.26Å; H394-M398 WeakPolarHBondContact O-CB 3.49Å; H394-M398 PolarHBondContact O-N 3.33Å; H394-M398 VanDerWaalsContact O-N 3.12Å; W395-M398 HydrophobicContact CD2-CE 3.67Å; W395-M398 HydrophobicContact CE3-CE 3.61Å; W395-M398 HydrophobicContact CE3-SD 4.41Å; W395-M398 HydrophobicContact CG-CE 4.28Å; W395-M398 HydrophobicContact CH2-CE 4.21Å; W395-M398 HydrophobicContact CZ2-CE 4.24Å; W395-M398 HydrophobicContact CZ3-CE 3.89Å; W395-M398 WeakPolarHBondContact O-CB 3.28Å; W395-M398 PolarHBondContact O-N 3.03Å; M396-M398 VanDerWaalsContact C-N 3.29Å; M396-M398 PolarHBondContact O-N 3.38Å |
| 399 | I | 90.6 | Very high | 89.1 | Confident | 56 Ų | 56 | 65.6 Ų | 65.6 | 29% | 0.287 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -73.6 | -44.6 | 178.5 | -70.1 | 170.8 | 0 | 0 | 0 | 110.3 | L353 W395 M396 | L353-I399 HydrophobicContact CB-CD1 4.41Å; L353-I399 HydrophobicContact CD2-CD1 4.35Å; L353-I399 HydrophobicContact CD2-CG1 4.45Å; W395-I399 HydrophobicContact CG-CD1 4.49Å; W395-I399 WeakPolarHBondContact O-CG1 3.46Å; W395-I399 PolarHBondContact O-N 2.95Å; W395-I399 VanDerWaalsContact O-N 3.13Å; M396-I399 PolarHBondContact O-N 3.4Å; M396-I399 VanDerWaalsContact O-N 3.13Å |
| 400 | N | 88.3 | Confident | 89.2 | Confident | 118 Ų | 118 | 63 Ų | 63 | 63% | 0.631 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -67.4 | -35.8 | -178.9 | -67.3 | -23.9 | 0 | 0 | 0 | 112.5 | M396 | M396-N400 WeakPolarHBondContact O-CB 3.37Å; M396-N400 PolarHBondContact O-N 3.33Å; M396-N400 PolarHBondContact O-ND2 2.98Å |
| 401 | K | 82.6 | Confident | 89.2 | Confident | 104 Ų | 104 | 63 Ų | 63 | 45% | 0.452 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 57.1 | 178.6 | -57.1 | -178.5 | -177.9 | 177.4 | 0 | 111 | D397 E404 V406 | D397-K401 VanDerWaalsContact O-CB 3.3Å; D397-K401 WeakPolarHBondContact O-CB 3.42Å; D397-K401 PolarHBondContact O-N 3.07Å; K401-E404 HydrophobicContact CB-CB 4.25Å; K401-E404 PolarHBondContact O-N 3.46Å; K401-V406 HydrophobicContact CB-CG2 4.21Å; K401-V406 HydrophobicContact CD-CG2 4.22Å |
| 402 | A | 71.1 | Confident | 89.2 | Confident | 45 Ų | 45 | 60.8 Ų | 60.8 | 37% | 0.372 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | 142.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E404 | A402-E404 PolarHBondContact O-N 3.38Å; A402-E404 VanDerWaalsContact O-N 3.17Å |
| 403 | Q | 75.7 | Confident | 88.7 | Confident | 110 Ų | 110 | 60.6 Ų | 60.6 | 51% | 0.514 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.5 | -22.6 | -169 | -41.1 | -63.5 | -14.9 | 0 | 0 | 116.6 | Y286 S287 S289 | Y286-Q403 PolarHBondContact O-N 3.33Å; S287-Q403 VanDerWaalsContact OG-CD 3.3Å; S287-Q403 PolarHBondContact OG-NE2 3.04Å; S287-Q403 VanDerWaalsContact OG-NE2 3.12Å; S287-Q403 PolarHBondContact OG-OE1 3Å; S289-Q403 PolarHBondContact OG-NE2 3.37Å |
| 404 | E | 86.9 | Confident | 88.1 | Confident | 118 Ų | 118 | 64.3 Ų | 64.3 | 55% | 0.551 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -82.8 | 139.3 | -179.9 | -66.3 | -163 | 153 | 0 | 0 | 113.2 | S285 K401 A402 V406 | S285-E404 WeakPolarHBondContact CB-O 3.36Å; K401-E404 HydrophobicContact CB-CB 4.25Å; K401-E404 PolarHBondContact O-N 3.46Å; A402-E404 PolarHBondContact O-N 3.38Å; A402-E404 VanDerWaalsContact O-N 3.17Å; E404-V406 PolarHBondContact O-N 2.94Å; E404-V406 VanDerWaalsContact O-N 3.16Å |
| 405 | P | 90.2 | Very high | 86.8 | Confident | 73 Ų | 73 | 67.1 Ų | 67.1 | 47% | 0.474 | 33% | 0.332 | S | S | . | . | trans | -83.6 | 85.5 | 176.8 | 33.5 | -34.3 | 0 | 0 | 0 | 112.1 | L284 | L284-P405 CarbonylContact O-C 3.55Å; L284-P405 WeakPolarHBondContact O-CA 3.07Å | ||
| 406 | V | 93.3 | Very high | 84.6 | Confident | 19 Ų | 19 | 78.3 Ų | 78.3 | 12% | 0.115 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 135.6 | 171.3 | -174.8 | 0 | 0 | 0 | 0 | 109.8 | S283 L284 H394 D397 K401 E404 M408 | S283-V406 CarbonylContact C-O 3.49Å; S283-V406 WeakPolarHBondContact CA-O 3.47Å; S283-V406 PolarHBondContact OG-O 3.21Å; L284-V406 PolarHBondContact N-O 3.02Å; L284-V406 PolarHBondContact O-N 2.9Å; H394-V406 WeakPolarHBondContact NE2-CB 3.31Å; H394-V406 PolarHBondContact NE2-O 3.44Å; D397-V406 HydrophobicContact CB-CG1 4.03Å; D397-V406 HydrophobicContact CB-CG2 4.32Å; K401-V406 HydrophobicContact CB-CG2 4.21Å; K401-V406 HydrophobicContact CD-CG2 4.22Å; E404-V406 PolarHBondContact O-N 2.94Å; E404-V406 VanDerWaalsContact O-N 3.16Å; V406-M408 HydrophobicContact CG1-CE 4.05Å |
| 407 | R | 93.8 | Very high | 84.1 | Confident | 167 Ų | 167 | 77.2 Ų | 77.2 | 63% | 0.63 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 132.7 | -179.3 | -55.1 | -179 | -170.4 | 178 | 4.6 | 110.1 | I282 L298 H394 | I282-R407 WeakPolarHBondContact O-CA 3.44Å; L298-R407 HydrophobicContact CD1-CG 4.38Å; H394-R407 PolarHBondContact NE2-N 2.94Å |
| 408 | M | 91.1 | Very high | 83.7 | Confident | 28 Ų | 28 | 79.4 Ų | 79.4 | 14% | 0.138 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 152.8 | 176.1 | -67.1 | -168.1 | -171 | 0 | 0 | 111.7 | Q281 I282 Q393 H394 D397 V406 | Q281-M408 WeakPolarHBondContact CA-O 3.27Å; I282-M408 PolarHBondContact N-O 3.37Å; I282-M408 PolarHBondContact O-N 3.04Å; Q393-M408 HydrophobicContact CG-CE 4.22Å; H394-M408 HydrophobicContact CB-CE 4.18Å; H394-M408 HydrophobicContact CB-CG 4.37Å; H394-M408 HydrophobicContact CB-SD 3.49Å; H394-M408 WeakPolarHBondContact CB-SD 3.41Å; D397-M408 HydrophobicContact CB-CE 4.15Å; D397-M408 WeakPolarHBondContact OD2-CE 3.37Å; V406-M408 HydrophobicContact CG1-CE 4.05Å |
| 409 | W | 90.9 | Very high | 83.2 | Confident | 72 Ų | 72 | 83.8 Ų | 83.8 | 27% | 0.273 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 138 | 165.1 | -73.8 | 104.3 | 0 | 0 | 0 | 110 | D279 Q281 R301 | D279-W409 HydrophobicContact CB-CE3 3.96Å; D279-W409 HydrophobicContact CB-CZ3 4.45Å; Q281-W409 HydrophobicContact CB-CD2 3.81Å; Q281-W409 HydrophobicContact CB-CE3 3.68Å; Q281-W409 HydrophobicContact CB-CH2 3.81Å; Q281-W409 HydrophobicContact CB-CZ2 3.95Å; Q281-W409 HydrophobicContact CB-CZ3 3.67Å; Q281-W409 HydrophobicContact CG-CD2 4.08Å; Q281-W409 HydrophobicContact CG-CE3 4.45Å; Q281-W409 HydrophobicContact CG-CG 4.45Å; Q281-W409 HydrophobicContact CG-CZ2 4.31Å; R301-W409 HydrophobicContact CB-CH2 4.13Å; R301-W409 HydrophobicContact CB-CZ3 4.1Å; R301-W409 HydrophobicContact CG-CE3 4.17Å; R301-W409 HydrophobicContact CG-CH2 3.89Å; R301-W409 HydrophobicContact CG-CZ3 3.54Å |
| 410 | H | 90.6 | Very high | 82.7 | Confident | 1 Ų | 1 | 85.4 Ų | 85.4 | 1% | 0.005 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 136.3 | 178.3 | -69.3 | -79.6 | 0 | 0 | 0 | 110.7 | D279 V280 L379 H394 | D279-H410 CarbonylContact C-O 3.53Å; D279-H410 WeakPolarHBondContact CA-O 3.44Å; V280-H410 HydrophobicContact CG1-CB 4.24Å; V280-H410 PolarHBondContact N-O 3.35Å; V280-H410 PolarHBondContact O-N 2.87Å; L379-H410 HydrophobicContact CD1-CB 3.89Å; L379-H410 HydrophobicContact CD2-CB 3.43Å; L379-H410 VanDerWaalsContact CD2-CB 3.43Å; L379-H410 HydrophobicContact CG-CB 4.32Å; H394-H410 AromaticContact CG-NE2 3.59Å; H394-H410 AromaticContact ND1-CD2 3.89Å; H394-H410 AromaticContact ND1-CE1 3.77Å; H394-H410 AromaticContact ND1-NE2 2.9Å; H394-H410 PolarHBondContact ND1-NE2 3.06Å |
| 411 | R | 88.3 | Confident | 82.4 | Confident | 94 Ų | 94 | 83.4 Ų | 83.4 | 36% | 0.355 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 136.3 | 173 | -75.1 | -173.5 | 165.6 | 135.6 | -0.3 | 110.9 | E271 Q273 D279 | E271-R411 IonicContact OE2-CZ 3.61Å; E271-R411 IonicContact OE2-NH1 3.34Å; E271-R411 PolarHBondContact OE2-NH1 2.83Å; E271-R411 IonicContact OE2-NH2 2.76Å; E271-R411 PolarHBondContact OE2-NH2 2.96Å; Q273-R411 PolarHBondContact O-NH2 3.49Å; D279-R411 WeakPolarHBondContact OD1-CG 3.39Å |
| 412 | L | 88.8 | Confident | 82.4 | Confident | 2 Ų | 2 | 82 Ų | 82 | 1% | 0.01 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 132.4 | 168.7 | -63.7 | 174.8 | 0 | 0 | 0 | 109.6 | S275 L277 G278 V280 L303 F360 L362 | S275-L412 PolarHBondContact OG-O 3.32Å; L277-L412 HydrophobicContact CB-CB 3.91Å; G278-L412 WeakPolarHBondContact O-CB 3.4Å; G278-L412 PolarHBondContact O-N 2.99Å; G278-L412 VanDerWaalsContact O-N 3.12Å; V280-L412 HydrophobicContact CB-CD2 4.35Å; V280-L412 HydrophobicContact CG1-CD2 3.84Å; V280-L412 HydrophobicContact CG1-CG 4.48Å; L303-L412 HydrophobicContact CD2-CD1 3.64Å; F360-L412 HydrophobicContact CD1-CD2 4.17Å; F360-L412 HydrophobicContact CE1-CD2 3.65Å; L362-L412 HydrophobicContact CD2-CD1 3.74Å |
| 413 | G | 82.9 | Confident | 83.2 | Confident | 33 Ų | 33 | 84.6 Ų | 84.6 | 34% | 0.34 | 41% | 0.411 | S | S | . | . | B | Isolated β-bridge | trans | -101 | 155.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L277 G377 V378 | L277-G413 WeakPolarHBondContact CD1-O 3.43Å; G377-G413 CarbonylContact C-O 3.56Å; G377-G413 WeakPolarHBondContact CA-O 3.44Å; V378-G413 PolarHBondContact N-O 3.08Å; V378-G413 PolarHBondContact O-N 3.5Å |
| 414 | R | 78.6 | Confident | 83.7 | Confident | 173 Ų | 173 | 82.7 Ų | 82.7 | 65% | 0.653 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -64 | 147.2 | 172 | -65.8 | 175.5 | -177 | -125.2 | 4.4 | 109.3 | E276 L277 | E276-R414 IonicContact OE1-NH2 3.79Å; E276-R414 IonicContact OE2-CZ 2.74Å; E276-R414 IonicContact OE2-NE 4Å; E276-R414 PolarHBondContact OE2-NE 3.11Å; E276-R414 IonicContact OE2-NH2 3.1Å; E276-R414 PolarHBondContact OE2-NH2 3.1Å; L277-R414 HydrophobicContact CD1-CB 4.35Å; L277-R414 HydrophobicContact CD1-CG 3.78Å |
| 415 | A | 64.8 | Low | 83.5 | Confident | 58 Ų | 58 | 79.8 Ų | 79.8 | 48% | 0.479 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 145.8 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | V378 | V378-A415 HydrophobicContact CG2-CB 3.94Š|
| 416 | I | 48.5 | Very low | 82.9 | Confident | 237 Ų | 237 | 80.4 Ų | 80.4 | 100% | 1.215 | 38% | 0.383 | S | S | * | . | trans | -115.9 | 0 | 173 | -53.2 | 175.6 | 0 | 0 | 0 | 106.3 |
Retrieved 416 of 416 residues in 106.7 ms
(Link to these results)