| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.3 | Very low | 50.7 | Low | 232 Ų | 232 | 126.9 Ų | 126.9 | 100% | 1.143 | 72% | 0.722 | S | S | * | * | 0 | 91.1 | 0 | -80.6 | -177.4 | -171.8 | 0 | 0 | 108.2 | |||||
| 2 | T | 36.7 | Very low | 53.1 | Low | 134 Ų | 134 | 127.3 Ų | 127.3 | 82% | 0.822 | 72% | 0.72 | S | S | * | * | trans | -132.1 | 72.2 | 165.7 | -26.8 | 0 | 0 | 0 | 0 | 105.1 | I4 | T2-I4 PolarHBondContact O-N 3.48Š| ||
| 3 | L | 42.9 | Very low | 55.1 | Low | 163 Ų | 163 | 124.8 Ų | 124.8 | 85% | 0.853 | 71% | 0.714 | S | S | * | * | trans | -63.9 | 98.7 | 163.9 | -82.4 | 151.4 | 0 | 0 | 0 | 104.7 | S5 | L3-S5 PolarHBondContact O-N 3.15Š| ||
| 4 | I | 46.7 | Very low | 57.1 | Low | 140 Ų | 140 | 121.8 Ų | 121.8 | 72% | 0.718 | 69% | 0.694 | S | S | * | * | trans | -61.5 | 96.1 | 166.2 | -63.5 | 171.4 | 0 | 0 | 0 | 104.6 | T2 L6 | T2-I4 PolarHBondContact O-N 3.48Å; I4-L6 HydrophobicContact CG2-CG 4.3Å; I4-L6 PolarHBondContact O-N 2.62Å | ||
| 5 | S | 45.3 | Very low | 58.9 | Low | 91 Ų | 91 | 121.7 Ų | 121.7 | 64% | 0.636 | 68% | 0.678 | S | S | * | * | trans | -63.5 | 91.4 | 164.8 | 52.1 | 0 | 0 | 0 | 0 | 106 | L3 D7 | L3-S5 PolarHBondContact O-N 3.15Å; S5-D7 PolarHBondContact O-N 3.29Å | ||
| 6 | L | 49.1 | Very low | 60.6 | Low | 156 Ų | 156 | 120.4 Ų | 120.4 | 82% | 0.817 | 67% | 0.67 | S | S | * | * | trans | -63.2 | 98 | 166 | -92.1 | 138.8 | 0 | 0 | 0 | 106.4 | I4 C8 | I4-L6 HydrophobicContact CG2-CG 4.3Å; I4-L6 PolarHBondContact O-N 2.62Å; L6-C8 PolarHBondContact O-N 3.18Å | ||
| 7 | D | 48.9 | Very low | 62.2 | Low | 130 Ų | 130 | 116.1 Ų | 116.1 | 70% | 0.695 | 65% | 0.653 | S | S | * | * | trans | -51.3 | 111.7 | 176.6 | -73.4 | -38.1 | 0 | 0 | 0 | 109.2 | S5 S9 | S5-D7 PolarHBondContact O-N 3.29Å; D7-S9 PolarHBondContact O-N 3.06Å; D7-S9 PolarHBondContact O-OG 3.04Å | ||
| 8 | C | 50.8 | Low | 63.7 | Low | 106 Ų | 106 | 114 Ų | 114 | 72% | 0.716 | 64% | 0.639 | S | S | * | * | trans | -66.6 | 72.2 | -179.6 | -169.5 | 0 | 0 | 0 | 0 | 109.7 | L6 R15 | L6-C8 PolarHBondContact O-N 3.18Å; C8-R15 PolarHBondContact SG-NH2 3.28Å | ||
| 9 | S | 60.3 | Low | 65.1 | Low | 102 Ų | 102 | 111.5 Ų | 111.5 | 71% | 0.713 | 63% | 0.63 | S | S | * | * | trans | -110.4 | 1.5 | -179.5 | 55.2 | 0 | 0 | 0 | 0 | 113.3 | D7 S11 | D7-S9 PolarHBondContact O-N 3.06Å; D7-S9 PolarHBondContact O-OG 3.04Å; S9-S11 PolarHBondContact O-N 3.48Å | ||
| 10 | I | 64.9 | Low | 66.4 | Low | 87 Ų | 87 | 108.9 Ų | 108.9 | 45% | 0.446 | 62% | 0.623 | S | S | . | * | S | Bend | trans | -83.3 | 115.6 | 173.5 | -56.3 | 178 | 0 | 0 | 0 | 107.8 | D14 R15 | I10-D14 HydrophobicContact CG2-CB 3.49Å; I10-D14 VanDerWaalsContact CG2-CB 3.49Å; I10-R15 HydrophobicContact CB-CG 4.27Å; I10-R15 HydrophobicContact CG2-CG 3.59Å |
| 11 | S | 76.3 | Confident | 67.6 | Low | 55 Ų | 55 | 109.8 Ų | 109.8 | 39% | 0.385 | 62% | 0.622 | S | S | . | * | trans | -59.5 | 153.6 | 177.8 | 81.3 | 0 | 0 | 0 | 0 | 110.2 | S9 C13 D14 R15 | S9-S11 PolarHBondContact O-N 3.48Å; S11-C13 PolarHBondContact O-N 3.03Å; S11-C13 VanDerWaalsContact O-N 3.15Å; S11-C13 PolarHBondContact OG-N 2.88Å; S11-D14 VanDerWaalsContact CB-OD2 3.31Å; S11-D14 WeakPolarHBondContact CB-OD2 3.48Å; S11-D14 PolarHBondContact N-OD2 3.31Å; S11-D14 PolarHBondContact O-N 3.01Å; S11-D14 PolarHBondContact OG-N 2.76Å; S11-D14 PolarHBondContact OG-OD2 3.44Å; S11-R15 PolarHBondContact O-N 3.26Å | ||
| 12 | L | 78.8 | Confident | 70.2 | Confident | 132 Ų | 132 | 103.1 Ų | 103.1 | 69% | 0.691 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -56.3 | -32.8 | 176.9 | -171.8 | 69.6 | 0 | 0 | 0 | 111.5 | N16 | L12-N16 PolarHBondContact O-N 3.08Å; L12-N16 VanDerWaalsContact O-N 3.08Å; L12-N16 PolarHBondContact O-ND2 2.9Å |
| 13 | C | 79.1 | Confident | 72.8 | Confident | 95 Ų | 95 | 99.9 Ų | 99.9 | 64% | 0.642 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.9 | -43.9 | 176.3 | -160.1 | 0 | 0 | 0 | 0 | 111.6 | S11 N16 A17 | S11-C13 PolarHBondContact O-N 3.03Å; S11-C13 VanDerWaalsContact O-N 3.15Å; S11-C13 PolarHBondContact OG-N 2.88Å; C13-N16 PolarHBondContact O-N 2.85Å; C13-A17 PolarHBondContact O-N 2.9Å |
| 14 | D | 83.6 | Confident | 75.1 | Confident | 82 Ų | 82 | 94.3 Ų | 94.3 | 44% | 0.439 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.4 | -38.3 | 178.8 | -57.5 | -41.5 | 0 | 0 | 0 | 111.5 | I10 S11 N16 A17 I18 | I10-D14 HydrophobicContact CG2-CB 3.49Å; I10-D14 VanDerWaalsContact CG2-CB 3.49Å; S11-D14 VanDerWaalsContact CB-OD2 3.31Å; S11-D14 WeakPolarHBondContact CB-OD2 3.48Å; S11-D14 PolarHBondContact N-OD2 3.31Å; S11-D14 PolarHBondContact O-N 3.01Å; S11-D14 PolarHBondContact OG-N 2.76Å; S11-D14 PolarHBondContact OG-OD2 3.44Å; D14-N16 VanDerWaalsContact C-N 3.33Å; D14-N16 PolarHBondContact O-N 3.46Å; D14-A17 PolarHBondContact O-N 2.99Å; D14-I18 WeakPolarHBondContact O-CB 3.31Å; D14-I18 VanDerWaalsContact O-CG1 3.26Å; D14-I18 WeakPolarHBondContact O-CG1 3.26Å; D14-I18 PolarHBondContact O-N 2.93Å |
| 15 | R | 83.2 | Confident | 77.3 | Confident | 121 Ų | 121 | 92.8 Ų | 92.8 | 46% | 0.457 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.6 | -41.2 | 173.7 | -65.8 | -170.7 | -162 | -158.8 | 0.3 | 112 | C8 I10 S11 A17 S19 | C8-R15 PolarHBondContact SG-NH2 3.28Å; I10-R15 HydrophobicContact CB-CG 4.27Å; I10-R15 HydrophobicContact CG2-CG 3.59Å; S11-R15 PolarHBondContact O-N 3.26Å; R15-A17 VanDerWaalsContact C-N 3.35Å; R15-S19 VanDerWaalsContact O-CB 3.26Å; R15-S19 WeakPolarHBondContact O-CB 3.48Å; R15-S19 PolarHBondContact O-N 3.4Å |
| 16 | N | 87.1 | Confident | 79.5 | Confident | 101 Ų | 101 | 93.2 Ų | 93.2 | 54% | 0.54 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.8 | -39 | 177.8 | -70.7 | -11.7 | 0 | 0 | 0 | 111.2 | L12 C13 D14 A20 | L12-N16 PolarHBondContact O-N 3.08Å; L12-N16 VanDerWaalsContact O-N 3.08Å; L12-N16 PolarHBondContact O-ND2 2.9Å; C13-N16 PolarHBondContact O-N 2.85Å; D14-N16 VanDerWaalsContact C-N 3.33Å; D14-N16 PolarHBondContact O-N 3.46Å; N16-A20 WeakPolarHBondContact O-CB 3.26Å; N16-A20 PolarHBondContact O-N 3.32Å |
| 17 | A | 87.8 | Confident | 81.5 | Confident | 47 Ų | 47 | 93 Ų | 93 | 39% | 0.388 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.4 | -50.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | C13 D14 R15 S19 A20 E21 | C13-A17 PolarHBondContact O-N 2.9Å; D14-A17 PolarHBondContact O-N 2.99Å; R15-A17 VanDerWaalsContact C-N 3.35Å; A17-S19 VanDerWaalsContact C-N 3.33Å; A17-S19 PolarHBondContact O-N 2.88Å; A17-A20 WeakPolarHBondContact O-CB 3.5Å; A17-A20 PolarHBondContact O-N 2.92Å; A17-A20 VanDerWaalsContact O-N 3.12Å; A17-E21 WeakPolarHBondContact O-CG 3.45Å; A17-E21 PolarHBondContact O-N 2.96Å |
| 18 | I | 88.8 | Confident | 83.5 | Confident | 78 Ų | 78 | 92 Ų | 92 | 40% | 0.4 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.8 | -42.7 | 177.3 | -66.3 | 164.2 | 0 | 0 | 0 | 110.9 | D14 A20 E21 I22 | D14-I18 WeakPolarHBondContact O-CB 3.31Å; D14-I18 VanDerWaalsContact O-CG1 3.26Å; D14-I18 WeakPolarHBondContact O-CG1 3.26Å; D14-I18 PolarHBondContact O-N 2.93Å; I18-A20 VanDerWaalsContact C-N 3.3Å; I18-A20 PolarHBondContact O-N 2.92Å; I18-E21 PolarHBondContact O-N 3.43Å; I18-I22 HydrophobicContact CG2-CD1 3.73Å; I18-I22 HydrophobicContact CG2-CG1 4.32Å; I18-I22 VanDerWaalsContact O-CG1 3.27Å; I18-I22 WeakPolarHBondContact O-CG1 3.36Å; I18-I22 PolarHBondContact O-N 3.12Å |
| 19 | S | 89.8 | Confident | 85.4 | Confident | 66 Ų | 66 | 91.8 Ų | 91.8 | 46% | 0.462 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.8 | -38.4 | 176.6 | -175.1 | 0 | 0 | 0 | 0 | 111.9 | R15 A17 C23 | R15-S19 VanDerWaalsContact O-CB 3.26Å; R15-S19 WeakPolarHBondContact O-CB 3.48Å; R15-S19 PolarHBondContact O-N 3.4Å; A17-S19 VanDerWaalsContact C-N 3.33Å; A17-S19 PolarHBondContact O-N 2.88Å; S19-C23 WeakPolarHBondContact O-CB 3.38Å; S19-C23 PolarHBondContact O-N 3.03Å; S19-C23 PolarHBondContact O-SG 2.89Å |
| 20 | A | 90.9 | Very high | 86.7 | Confident | 60 Ų | 60 | 89.5 Ų | 89.5 | 50% | 0.496 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68 | -41 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | N16 A17 I18 C23 A24 | N16-A20 WeakPolarHBondContact O-CB 3.26Å; N16-A20 PolarHBondContact O-N 3.32Å; A17-A20 WeakPolarHBondContact O-CB 3.5Å; A17-A20 PolarHBondContact O-N 2.92Å; A17-A20 VanDerWaalsContact O-N 3.12Å; I18-A20 VanDerWaalsContact C-N 3.3Å; I18-A20 PolarHBondContact O-N 2.92Å; A20-C23 PolarHBondContact O-N 3.37Å; A20-A24 WeakPolarHBondContact O-CB 3.44Å; A20-A24 PolarHBondContact O-N 3.34Å |
| 21 | E | 91.4 | Very high | 87.8 | Confident | 128 Ų | 128 | 87.2 Ų | 87.2 | 60% | 0.598 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.4 | -49.7 | 173.9 | -73.9 | 177.2 | -175.9 | 0 | 0 | 111.4 | A17 I18 C23 A24 E25 | A17-E21 WeakPolarHBondContact O-CG 3.45Å; A17-E21 PolarHBondContact O-N 2.96Å; I18-E21 PolarHBondContact O-N 3.43Å; E21-C23 VanDerWaalsContact C-N 3.3Å; E21-C23 PolarHBondContact O-N 2.99Å; E21-A24 WeakPolarHBondContact O-CB 3.46Å; E21-A24 PolarHBondContact O-N 3.26Å; E21-E25 WeakPolarHBondContact O-CG 3.27Å; E21-E25 PolarHBondContact O-N 3.42Å |
| 22 | I | 90.9 | Very high | 88.4 | Confident | 92 Ų | 92 | 89.7 Ų | 89.7 | 47% | 0.472 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.7 | -44.5 | 176.2 | -68.2 | 167.6 | 0 | 0 | 0 | 110.7 | I18 A24 E25 L26 | I18-I22 HydrophobicContact CG2-CD1 3.73Å; I18-I22 HydrophobicContact CG2-CG1 4.32Å; I18-I22 VanDerWaalsContact O-CG1 3.27Å; I18-I22 WeakPolarHBondContact O-CG1 3.36Å; I18-I22 PolarHBondContact O-N 3.12Å; I22-A24 VanDerWaalsContact C-N 3.3Å; I22-A24 PolarHBondContact O-N 2.88Å; I22-E25 PolarHBondContact O-N 3.21Å; I22-L26 HydrophobicContact CG2-CD1 3.79Å; I22-L26 HydrophobicContact CG2-CG 4.24Å; I22-L26 WeakPolarHBondContact O-CB 3.37Å; I22-L26 VanDerWaalsContact O-CG 3.25Å; I22-L26 WeakPolarHBondContact O-CG 3.46Å; I22-L26 PolarHBondContact O-N 2.92Å |
| 23 | C | 92.1 | Very high | 88.7 | Confident | 65 Ų | 65 | 88.4 Ų | 88.4 | 44% | 0.439 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.4 | -35.3 | 176.7 | -76 | 0 | 0 | 0 | 0 | 112.8 | S19 A20 E21 K27 | S19-C23 WeakPolarHBondContact O-CB 3.38Å; S19-C23 PolarHBondContact O-N 3.03Å; S19-C23 PolarHBondContact O-SG 2.89Å; A20-C23 PolarHBondContact O-N 3.37Å; E21-C23 VanDerWaalsContact C-N 3.3Å; E21-C23 PolarHBondContact O-N 2.99Å; C23-K27 VanDerWaalsContact O-CG 3.28Å; C23-K27 WeakPolarHBondContact O-CG 3.25Å; C23-K27 PolarHBondContact O-N 2.84Å |
| 24 | A | 92.3 | Very high | 88.8 | Confident | 46 Ų | 46 | 88.6 Ų | 88.6 | 38% | 0.38 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -69.5 | -46.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | A20 E21 I22 K27 Q28 | A20-A24 WeakPolarHBondContact O-CB 3.44Å; A20-A24 PolarHBondContact O-N 3.34Å; E21-A24 WeakPolarHBondContact O-CB 3.46Å; E21-A24 PolarHBondContact O-N 3.26Å; I22-A24 VanDerWaalsContact C-N 3.3Å; I22-A24 PolarHBondContact O-N 2.88Å; A24-K27 WeakPolarHBondContact O-CB 3.48Å; A24-K27 PolarHBondContact O-N 2.99Å; A24-Q28 WeakPolarHBondContact O-CG 3.28Å; A24-Q28 PolarHBondContact O-N 3.25Å |
| 25 | E | 91.5 | Very high | 88.8 | Confident | 108 Ų | 108 | 91.2 Ų | 91.2 | 51% | 0.505 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 177.9 | -69.4 | -60.9 | 156.4 | 0 | 0 | 111.8 | E21 I22 K27 Q28 M29 | E21-E25 WeakPolarHBondContact O-CG 3.27Å; E21-E25 PolarHBondContact O-N 3.42Å; I22-E25 PolarHBondContact O-N 3.21Å; E25-K27 VanDerWaalsContact C-N 3.3Å; E25-K27 PolarHBondContact O-N 3.42Å; E25-Q28 PolarHBondContact O-N 3.13Å; E25-Q28 VanDerWaalsContact O-N 3.13Å; E25-M29 WeakPolarHBondContact O-CG 3.37Å; E25-M29 PolarHBondContact O-N 3.35Å |
| 26 | L | 91.5 | Very high | 88.8 | Confident | 101 Ų | 101 | 91.2 Ų | 91.2 | 53% | 0.529 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.7 | -37.7 | 176 | -72.6 | 174.3 | 0 | 0 | 0 | 112.4 | I22 M29 S30 | I22-L26 HydrophobicContact CG2-CD1 3.79Å; I22-L26 HydrophobicContact CG2-CG 4.24Å; I22-L26 WeakPolarHBondContact O-CB 3.37Å; I22-L26 VanDerWaalsContact O-CG 3.25Å; I22-L26 WeakPolarHBondContact O-CG 3.46Å; I22-L26 PolarHBondContact O-N 2.92Å; L26-M29 HydrophobicContact CD2-SD 4.48Å; L26-S30 WeakPolarHBondContact O-CB 3.34Å; L26-S30 PolarHBondContact O-N 3.45Å; L26-S30 PolarHBondContact O-OG 3.42Å |
| 27 | K | 91.9 | Very high | 88.5 | Confident | 151 Ų | 151 | 89 Ų | 89 | 66% | 0.657 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64.5 | -44 | 173.7 | -77.7 | 174.9 | -178.8 | -178.9 | 0 | 111.2 | C23 A24 E25 S30 A31 | C23-K27 VanDerWaalsContact O-CG 3.28Å; C23-K27 WeakPolarHBondContact O-CG 3.25Å; C23-K27 PolarHBondContact O-N 2.84Å; A24-K27 WeakPolarHBondContact O-CB 3.48Å; A24-K27 PolarHBondContact O-N 2.99Å; E25-K27 VanDerWaalsContact C-N 3.3Å; E25-K27 PolarHBondContact O-N 3.42Å; K27-S30 PolarHBondContact O-N 3.34Å; K27-S30 PolarHBondContact O-OG 3.03Å; K27-A31 PolarHBondContact O-N 2.94Å |
| 28 | Q | 91.6 | Very high | 88 | Confident | 108 Ų | 108 | 91.8 Ų | 91.8 | 51% | 0.505 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.4 | -45.5 | 176.9 | -70.9 | -173.8 | 13 | 0 | 0 | 111.8 | A24 E25 S30 A31 I32 | A24-Q28 WeakPolarHBondContact O-CG 3.28Å; A24-Q28 PolarHBondContact O-N 3.25Å; E25-Q28 PolarHBondContact O-N 3.13Å; E25-Q28 VanDerWaalsContact O-N 3.13Å; Q28-S30 VanDerWaalsContact C-N 3.34Å; Q28-S30 PolarHBondContact O-N 3Å; Q28-A31 PolarHBondContact O-N 2.93Å; Q28-I32 WeakPolarHBondContact O-CG1 3.49Å; Q28-I32 PolarHBondContact O-N 2.74Å |
| 29 | M | 89.3 | Confident | 87.6 | Confident | 102 Ų | 102 | 98 Ų | 98 | 50% | 0.502 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -56.1 | -48.5 | 174.8 | -71.9 | -179.8 | 67 | 0 | 0 | 111.2 | E25 L26 A31 I32 E33 | E25-M29 WeakPolarHBondContact O-CG 3.37Å; E25-M29 PolarHBondContact O-N 3.35Å; L26-M29 HydrophobicContact CD2-SD 4.48Å; M29-A31 VanDerWaalsContact C-N 3.3Å; M29-A31 PolarHBondContact O-N 3.09Å; M29-I32 PolarHBondContact O-N 3.21Å; M29-E33 WeakPolarHBondContact O-CB 3.31Å; M29-E33 WeakPolarHBondContact O-CG 3.27Å; M29-E33 PolarHBondContact O-N 3.19Å |
| 30 | S | 88.8 | Confident | 87.2 | Confident | 54 Ų | 54 | 97.5 Ų | 97.5 | 38% | 0.378 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.8 | -36.1 | 179 | 72.6 | 0 | 0 | 0 | 0 | 113.2 | L26 K27 Q28 Q34 | L26-S30 WeakPolarHBondContact O-CB 3.34Å; L26-S30 PolarHBondContact O-N 3.45Å; L26-S30 PolarHBondContact O-OG 3.42Å; K27-S30 PolarHBondContact O-N 3.34Å; K27-S30 PolarHBondContact O-OG 3.03Å; Q28-S30 VanDerWaalsContact C-N 3.34Å; Q28-S30 PolarHBondContact O-N 3Å; S30-Q34 WeakPolarHBondContact O-CG 3.36Å; S30-Q34 PolarHBondContact O-N 3.01Å |
| 31 | A | 87.9 | Confident | 86.6 | Confident | 40 Ų | 40 | 95.7 Ų | 95.7 | 33% | 0.331 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -70.8 | -41.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | K27 Q28 M29 Q34 Q35 | K27-A31 PolarHBondContact O-N 2.94Å; Q28-A31 PolarHBondContact O-N 2.93Å; M29-A31 VanDerWaalsContact C-N 3.3Å; M29-A31 PolarHBondContact O-N 3.09Å; A31-Q34 PolarHBondContact O-N 3.49Å; A31-Q35 WeakPolarHBondContact O-CG 3.48Å; A31-Q35 PolarHBondContact O-N 2.86Å |
| 32 | I | 88.2 | Confident | 85.4 | Confident | 106 Ų | 106 | 94.2 Ų | 94.2 | 54% | 0.544 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.8 | -42.5 | 176 | -68.1 | 167.4 | 0 | 0 | 0 | 110.3 | Q28 M29 Q34 Q35 F36 | Q28-I32 WeakPolarHBondContact O-CG1 3.49Å; Q28-I32 PolarHBondContact O-N 2.74Å; M29-I32 PolarHBondContact O-N 3.21Å; I32-Q34 PolarHBondContact O-N 3.19Å; I32-Q35 PolarHBondContact O-N 3.34Å; I32-F36 WeakPolarHBondContact O-CB 3.37Å; I32-F36 PolarHBondContact O-N 3.09Å |
| 33 | E | 84.5 | Confident | 84.2 | Confident | 106 Ų | 106 | 94.1 Ų | 94.1 | 50% | 0.495 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57.9 | -48.4 | 173.8 | -76.8 | 178.8 | -179.3 | 0 | 0 | 110.8 | M29 Q35 F36 F37 | M29-E33 WeakPolarHBondContact O-CB 3.31Å; M29-E33 WeakPolarHBondContact O-CG 3.27Å; M29-E33 PolarHBondContact O-N 3.19Å; E33-Q35 PolarHBondContact O-N 2.95Å; E33-F36 WeakPolarHBondContact O-CB 3.37Å; E33-F36 PolarHBondContact O-N 3.21Å; E33-F37 HydrophobicContact CB-CD2 4.42Å; E33-F37 HydrophobicContact CB-CE2 4.34Å; E33-F37 WeakPolarHBondContact O-CD2 3.49Å; E33-F37 PolarHBondContact O-N 2.99Å |
| 34 | Q | 82.3 | Confident | 83 | Confident | 99 Ų | 99 | 94.5 Ų | 94.5 | 46% | 0.463 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -55.8 | -50.1 | 176 | -76.3 | -178.6 | -8.3 | 0 | 0 | 112.2 | S30 A31 I32 F36 F37 D38 | S30-Q34 WeakPolarHBondContact O-CG 3.36Å; S30-Q34 PolarHBondContact O-N 3.01Å; A31-Q34 PolarHBondContact O-N 3.49Å; I32-Q34 PolarHBondContact O-N 3.19Å; Q34-F36 VanDerWaalsContact C-N 3.32Å; Q34-F36 PolarHBondContact O-N 3.09Å; Q34-F37 PolarHBondContact O-N 3.36Å; Q34-D38 WeakPolarHBondContact O-CB 3.43Å; Q34-D38 PolarHBondContact O-N 3.42Å |
| 35 | Q | 82.7 | Confident | 81.3 | Confident | 136 Ų | 136 | 97.4 Ų | 97.4 | 64% | 0.636 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.6 | -41.1 | 177.8 | -70.9 | 175.3 | 7.8 | 0 | 0 | 112.8 | A31 I32 E33 D38 Y39 | A31-Q35 WeakPolarHBondContact O-CG 3.48Å; A31-Q35 PolarHBondContact O-N 2.86Å; I32-Q35 PolarHBondContact O-N 3.34Å; E33-Q35 PolarHBondContact O-N 2.95Å; Q35-D38 PolarHBondContact O-N 3.49Å; Q35-Y39 WeakPolarHBondContact O-CB 3.36Å; Q35-Y39 PolarHBondContact O-N 3.33Å |
| 36 | F | 83.6 | Confident | 79.9 | Confident | 122 Ų | 122 | 94 Ų | 94 | 54% | 0.535 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.4 | -46 | 177.4 | 174.8 | -100.9 | 0 | 0 | 0 | 111.5 | I32 E33 Q34 Y39 I40 | I32-F36 WeakPolarHBondContact O-CB 3.37Å; I32-F36 PolarHBondContact O-N 3.09Å; E33-F36 WeakPolarHBondContact O-CB 3.37Å; E33-F36 PolarHBondContact O-N 3.21Å; Q34-F36 VanDerWaalsContact C-N 3.32Å; Q34-F36 PolarHBondContact O-N 3.09Å; F36-Y39 PolarHBondContact O-N 3.18Å; F36-I40 HydrophobicContact CD1-CD1 3.93Å; F36-I40 HydrophobicContact CD2-CD1 3.94Å; F36-I40 HydrophobicContact CE1-CD1 3.38Å; F36-I40 HydrophobicContact CE2-CD1 3.39Å; F36-I40 HydrophobicContact CE2-CG1 4.47Å; F36-I40 HydrophobicContact CG-CD1 4.2Å; F36-I40 HydrophobicContact CZ-CD1 3.09Å; F36-I40 HydrophobicContact CZ-CG1 4.46Å; F36-I40 WeakPolarHBondContact O-CG1 3.38Å; F36-I40 PolarHBondContact O-N 3.25Å; F36-I40 VanDerWaalsContact O-N 3.11Å |
| 37 | F | 81.2 | Confident | 78.3 | Confident | 55 Ų | 55 | 89.7 Ų | 89.7 | 24% | 0.241 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -68.8 | -38.1 | 178.8 | -73.7 | -60.2 | 0 | 0 | 0 | 112.5 | E33 Q34 Y39 I40 L41 R291 L295 | E33-F37 HydrophobicContact CB-CD2 4.42Å; E33-F37 HydrophobicContact CB-CE2 4.34Å; E33-F37 WeakPolarHBondContact O-CD2 3.49Å; E33-F37 PolarHBondContact O-N 2.99Å; Q34-F37 PolarHBondContact O-N 3.36Å; F37-Y39 VanDerWaalsContact C-N 3.26Å; F37-Y39 PolarHBondContact O-N 2.89Å; F37-I40 PolarHBondContact O-N 3.32Å; F37-L41 VanDerWaalsContact O-CB 3.3Å; F37-L41 WeakPolarHBondContact O-CB 3.48Å; F37-L41 WeakPolarHBondContact O-CG 3.43Å; F37-L41 PolarHBondContact O-N 3.02Å; F37-R291 VanDerWaalsContact CB-CZ 3.45Å; F37-R291 VanDerWaalsContact CG-NH2 3.27Å; F37-L295 HydrophobicContact CD1-CD1 3.6Å; F37-L295 HydrophobicContact CD1-CD2 3.53Å; F37-L295 HydrophobicContact CD1-CG 4.21Å; F37-L295 HydrophobicContact CE1-CD1 3.53Å; F37-L295 HydrophobicContact CE1-CD2 3.78Å; F37-L295 HydrophobicContact CE1-CG 4.31Å; F37-L295 HydrophobicContact CG-CD1 4.42Å; F37-L295 HydrophobicContact CZ-CD1 4.3Å |
| 38 | D | 77.8 | Confident | 76.7 | Confident | 104 Ų | 104 | 86.4 Ų | 86.4 | 56% | 0.556 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -65.9 | -31.1 | 176.1 | -64.1 | -12.5 | 0 | 0 | 0 | 111.7 | Q34 Q35 R291 | Q34-D38 WeakPolarHBondContact O-CB 3.43Å; Q34-D38 PolarHBondContact O-N 3.42Å; Q35-D38 PolarHBondContact O-N 3.49Å; D38-R291 IonicContact OD1-NH1 2.92Å |
| 39 | Y | 80.7 | Confident | 75.8 | Confident | 208 Ų | 208 | 82.7 Ų | 82.7 | 82% | 0.816 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -73.7 | -35.6 | 175 | -171.5 | -96.5 | 0 | 0 | 0 | 112.8 | Q35 F36 F37 | Q35-Y39 WeakPolarHBondContact O-CB 3.36Å; Q35-Y39 PolarHBondContact O-N 3.33Å; F36-Y39 PolarHBondContact O-N 3.18Å; F37-Y39 VanDerWaalsContact C-N 3.26Å; F37-Y39 PolarHBondContact O-N 2.89Å |
| 40 | I | 81.2 | Confident | 75.6 | Confident | 56 Ų | 56 | 82 Ų | 82 | 29% | 0.287 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -85.2 | -33.7 | -176 | -72.4 | 179.3 | 0 | 0 | 0 | 112.4 | F36 F37 P42 L298 | F36-I40 HydrophobicContact CD1-CD1 3.93Å; F36-I40 HydrophobicContact CD2-CD1 3.94Å; F36-I40 HydrophobicContact CE1-CD1 3.38Å; F36-I40 HydrophobicContact CE2-CD1 3.39Å; F36-I40 HydrophobicContact CE2-CG1 4.47Å; F36-I40 HydrophobicContact CG-CD1 4.2Å; F36-I40 HydrophobicContact CZ-CD1 3.09Å; F36-I40 HydrophobicContact CZ-CG1 4.46Å; F36-I40 WeakPolarHBondContact O-CG1 3.38Å; F36-I40 PolarHBondContact O-N 3.25Å; F36-I40 VanDerWaalsContact O-N 3.11Å; F37-I40 PolarHBondContact O-N 3.32Å; I40-P42 WeakPolarHBondContact O-CD 3.16Å; I40-L298 HydrophobicContact CG2-CD2 3.16Å |
| 41 | L | 77.8 | Confident | 75.6 | Confident | 22 Ų | 22 | 82.5 Ų | 82.5 | 12% | 0.115 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -93.3 | 100.5 | 176 | -64.1 | 174.5 | 0 | 0 | 0 | 108.5 | F37 S43 R291 R294 L295 | F37-L41 VanDerWaalsContact O-CB 3.3Å; F37-L41 WeakPolarHBondContact O-CB 3.48Å; F37-L41 WeakPolarHBondContact O-CG 3.43Å; F37-L41 PolarHBondContact O-N 3.02Å; L41-S43 PolarHBondContact O-N 2.88Å; L41-R291 HydrophobicContact CD1-CG 3.7Å; L41-R294 HydrophobicContact CD2-CB 3.84Å; L41-L295 HydrophobicContact CD1-CD1 4.34Å; L41-L295 HydrophobicContact CD1-CD2 3.83Å; L41-L295 HydrophobicContact CD1-CG 3.81Å; L41-L295 HydrophobicContact CD2-CD2 3.7Å; L41-L295 HydrophobicContact CD2-CG 4.04Å; L41-L295 HydrophobicContact CG-CD2 3.78Å; L41-L295 HydrophobicContact CG-CG 4.23Å |
| 42 | P | 66.3 | Low | 75.8 | Confident | 98 Ų | 98 | 80.6 Ų | 80.6 | 64% | 0.636 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 130.9 | 173.1 | 22.7 | -31.3 | 0 | 0 | 0 | 109.4 | I40 N44 R294 | I40-P42 WeakPolarHBondContact O-CD 3.16Å; P42-N44 PolarHBondContact O-N 2.86Å; P42-R294 PolarHBondContact O-NH2 3.43Å |
| 43 | S | 65.8 | Low | 76.1 | Confident | 90 Ų | 90 | 76.3 Ų | 76.3 | 63% | 0.629 | 40% | 0.401 | S | S | * | . | P | Polyproline II helix | trans | -54 | 139.2 | 166 | 48.2 | 0 | 0 | 0 | 0 | 108.6 | L41 | L41-S43 PolarHBondContact O-N 2.88Š|
| 44 | N | 65.8 | Low | 76.6 | Confident | 72 Ų | 72 | 71.2 Ų | 71.2 | 39% | 0.385 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 148.1 | 167.7 | -69.3 | -46.2 | 0 | 0 | 0 | 108.1 | P42 C46 D47 R294 | P42-N44 PolarHBondContact O-N 2.86Å; N44-C46 PolarHBondContact O-N 3.49Å; N44-D47 HydrophobicContact CB-CB 4.48Å; N44-D47 WeakPolarHBondContact CB-OD2 3.44Å; N44-D47 PolarHBondContact N-OD2 3.03Å; N44-D47 WeakPolarHBondContact O-CB 3.31Å; N44-D47 PolarHBondContact O-N 3.32Å; N44-R294 PolarHBondContact ND2-NH2 2.93Å; N44-R294 VanDerWaalsContact ND2-NH2 3.13Å; N44-R294 PolarHBondContact OD1-NH2 3.33Å |
| 45 | S | 58.1 | Low | 77.3 | Confident | 107 Ų | 107 | 67.4 Ų | 67.4 | 75% | 0.748 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -28.2 | 178.3 | 54.3 | 0 | 0 | 0 | 0 | 113.6 | ||
| 46 | C | 60.9 | Low | 78 | Confident | 36 Ų | 36 | 61 Ų | 61 | 24% | 0.243 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -9.6 | 179.5 | -56.3 | 0 | 0 | 0 | 0 | 114 | N44 S48 D49 F113 P148 | N44-C46 PolarHBondContact O-N 3.49Å; C46-S48 PolarHBondContact O-N 3.19Å; C46-D49 VanDerWaalsContact CA-OD2 3.25Å; C46-D49 WeakPolarHBondContact CA-OD2 3.26Å; C46-D49 VanDerWaalsContact CB-OD2 3.32Å; C46-D49 WeakPolarHBondContact CB-OD2 3.43Å; C46-D49 WeakPolarHBondContact O-CB 3.43Å; C46-D49 PolarHBondContact O-N 3.03Å; C46-F113 HydrophobicContact CB-CD1 4.11Å; C46-F113 HydrophobicContact CB-CE1 3.8Å; C46-F113 HydrophobicContact CB-CZ 4.4Å; C46-F113 WeakPolarHBondContact O-CD1 3.46Å; C46-P148 HydrophobicContact CB-CB 4.18Å |
| 47 | D | 58.1 | Low | 78.7 | Confident | 12 Ų | 12 | 56 Ų | 56 | 6% | 0.064 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -27.2 | -176.3 | -73 | -21.5 | 0 | 0 | 0 | 111.2 | N44 D49 Q117 R294 | N44-D47 HydrophobicContact CB-CB 4.48Å; N44-D47 WeakPolarHBondContact CB-OD2 3.44Å; N44-D47 PolarHBondContact N-OD2 3.03Å; N44-D47 WeakPolarHBondContact O-CB 3.31Å; N44-D47 PolarHBondContact O-N 3.32Å; D47-D49 VanDerWaalsContact C-N 3.31Å; D47-Q117 PolarHBondContact OD1-NE2 2.89Å; D47-R294 IonicContact OD2-NH1 3.8Å |
| 48 | S | 59.1 | Low | 79.4 | Confident | 81 Ų | 81 | 53.9 Ų | 53.9 | 57% | 0.566 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -0.3 | 173.3 | 49.7 | 0 | 0 | 0 | 0 | 114.3 | C46 N50 | C46-S48 PolarHBondContact O-N 3.19Å; S48-N50 PolarHBondContact O-N 3.45Å |
| 49 | D | 71.4 | Confident | 80.1 | Confident | 31 Ų | 31 | 49.7 Ų | 49.7 | 17% | 0.166 | 28% | 0.284 | C | S | . | . | trans | -70.8 | 120.2 | 179.4 | -66.9 | -19.3 | 0 | 0 | 0 | 109.4 | C46 D47 E51 F113 | C46-D49 VanDerWaalsContact CA-OD2 3.25Å; C46-D49 WeakPolarHBondContact CA-OD2 3.26Å; C46-D49 VanDerWaalsContact CB-OD2 3.32Å; C46-D49 WeakPolarHBondContact CB-OD2 3.43Å; C46-D49 WeakPolarHBondContact O-CB 3.43Å; C46-D49 PolarHBondContact O-N 3.03Å; D47-D49 VanDerWaalsContact C-N 3.31Å; D49-E51 PolarHBondContact O-N 2.84Å; D49-F113 HydrophobicContact CB-CB 4.34Å; D49-F113 WeakPolarHBondContact O-CB 3.46Å | ||
| 50 | N | 84.8 | Confident | 80.7 | Confident | 86 Ų | 86 | 43.3 Ų | 43.3 | 46% | 0.46 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -80.9 | 0.8 | 177.8 | -65.5 | -40.5 | 0 | 0 | 0 | 112.4 | S48 T108 G109 E110 K111 | S48-N50 PolarHBondContact O-N 3.45Å; N50-T108 CarbonylContact O-C 3.51Å; N50-T108 WeakPolarHBondContact O-CA 3.45Å; N50-G109 CarbonylContact C-O 3.58Å; N50-G109 VanDerWaalsContact CA-O 3.23Å; N50-G109 WeakPolarHBondContact CA-O 3.31Å; N50-G109 WeakPolarHBondContact CB-O 3.21Å; N50-G109 PolarHBondContact O-N 3.18Å; N50-E110 WeakPolarHBondContact OD1-CA 3.49Å; N50-K111 PolarHBondContact OD1-N 3.4Å |
| 51 | E | 89 | Confident | 81.1 | Confident | 65 Ų | 65 | 42.1 Ų | 42.1 | 30% | 0.304 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 135.5 | -175.3 | -164.8 | 175.5 | -169.8 | 0 | 0 | 111.2 | D49 V107 T108 M149 | D49-E51 PolarHBondContact O-N 2.84Å; E51-V107 WeakPolarHBondContact CA-O 3.31Å; E51-T108 HydrophobicContact CB-CG2 4.39Å; E51-T108 HydrophobicContact CG-CG2 4.36Å; E51-M149 HydrophobicContact CB-CB 3.85Å; E51-M149 HydrophobicContact CB-CG 4.37Å; E51-M149 HydrophobicContact CG-CB 3.81Å; E51-M149 HydrophobicContact CG-CG 3.93Å; E51-M149 HydrophobicContact CG-SD 4.4Å; E51-M149 WeakPolarHBondContact O-CB 3.29Å; E51-M149 PolarHBondContact O-N 3Å; E51-M149 VanDerWaalsContact O-N 3.16Å |
| 52 | L | 92.7 | Very high | 81.7 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 158.2 | -178.5 | 67.2 | 100.7 | 0 | 0 | 0 | 110.7 | M54 S106 V107 A112 F113 L116 I146 F147 | L52-M54 HydrophobicContact CD1-CB 4.34Å; L52-M54 HydrophobicContact CD1-CG 3.36Å; L52-M54 HydrophobicContact CD1-SD 3.74Å; L52-S106 CarbonylContact O-C 3.53Å; L52-S106 VanDerWaalsContact O-CA 3.25Å; L52-S106 WeakPolarHBondContact O-CA 3.43Å; L52-V107 HydrophobicContact CD1-CB 4.02Å; L52-V107 HydrophobicContact CD1-CG2 4.15Å; L52-V107 HydrophobicContact CD2-CB 4.24Å; L52-V107 HydrophobicContact CG-CB 3.96Å; L52-V107 PolarHBondContact N-O 3.1Å; L52-V107 VanDerWaalsContact N-O 3.07Å; L52-V107 PolarHBondContact O-N 2.88Å; L52-A112 HydrophobicContact CD2-CB 3.65Å; L52-A112 VanDerWaalsContact CD2-O 3.29Å; L52-A112 WeakPolarHBondContact CD2-O 3.5Å; L52-F113 HydrophobicContact CB-CB 4.34Å; L52-F113 HydrophobicContact CB-CD2 3.78Å; L52-F113 HydrophobicContact CD2-CB 4.26Å; L52-L116 HydrophobicContact CD1-CD1 4.49Å; L52-L116 HydrophobicContact CD2-CB 4.28Å; L52-L116 HydrophobicContact CD2-CD1 4.11Å; L52-I146 HydrophobicContact CD1-CG2 4.15Å; L52-F147 CarbonylContact C-O 3.52Å; L52-F147 VanDerWaalsContact CA-O 3.31Å; L52-F147 WeakPolarHBondContact CA-O 3.5Å; L52-F147 WeakPolarHBondContact CB-O 3.44Å |
| 53 | L | 94 | Very high | 83 | Confident | 16 Ų | 16 | 40.7 Ų | 40.7 | 8% | 0.084 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 128.2 | 171.5 | -65.7 | 175.2 | 0 | 0 | 0 | 109.5 | L90 L104 I146 F147 M149 | L53-L90 HydrophobicContact CD2-CD1 3.42Å; L53-L90 VanDerWaalsContact CD2-CD1 3.42Å; L53-L104 HydrophobicContact CB-CD1 4.4Å; L53-I146 WeakPolarHBondContact O-CA 3.26Å; L53-F147 HydrophobicContact CB-CB 4.32Å; L53-F147 HydrophobicContact CB-CD2 4.37Å; L53-F147 PolarHBondContact N-O 2.98Å; L53-F147 PolarHBondContact O-N 3.35Å; L53-M149 HydrophobicContact CD1-SD 4.06Å; L53-M149 HydrophobicContact CD2-SD 3.83Å; L53-M149 HydrophobicContact CG-SD 3.81Å |
| 54 | M | 96 | Very high | 84.3 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 127.5 | 174.1 | -83.5 | 174.8 | 97.7 | 0 | 0 | 110.8 | L52 Y76 L104 F105 V107 L116 V144 A145 I146 | L52-M54 HydrophobicContact CD1-CB 4.34Å; L52-M54 HydrophobicContact CD1-CG 3.36Å; L52-M54 HydrophobicContact CD1-SD 3.74Å; M54-Y76 HydrophobicContact CE-CD1 3.61Å; M54-Y76 HydrophobicContact CE-CD2 3.6Å; M54-Y76 HydrophobicContact CE-CE1 3.69Å; M54-Y76 HydrophobicContact CE-CE2 3.7Å; M54-Y76 HydrophobicContact CE-CG 3.57Å; M54-Y76 HydrophobicContact SD-CG 4.49Å; M54-L104 WeakPolarHBondContact O-CA 3.31Å; M54-F105 HydrophobicContact CB-CD1 4.21Å; M54-F105 HydrophobicContact CB-CD2 4.42Å; M54-F105 HydrophobicContact CB-CE1 3.72Å; M54-F105 HydrophobicContact CB-CE2 3.95Å; M54-F105 HydrophobicContact CB-CZ 3.58Å; M54-F105 HydrophobicContact CG-CZ 4.4Å; M54-F105 PolarHBondContact N-O 2.85Å; M54-F105 WeakPolarHBondContact O-CD1 3.47Å; M54-F105 PolarHBondContact O-N 3.39Å; M54-F105 HydrophobicContact SD-CE2 4.14Å; M54-F105 HydrophobicContact SD-CZ 4.02Å; M54-V107 HydrophobicContact SD-CG2 3.96Å; M54-L116 HydrophobicContact CE-CD1 4.45Å; M54-L116 HydrophobicContact SD-CD1 3.75Å; M54-V144 HydrophobicContact CE-CG1 4.09Å; M54-A145 WeakPolarHBondContact CA-O 3.42Å; M54-I146 HydrophobicContact CE-CD1 4.03Å; M54-I146 HydrophobicContact CG-CD1 4.41Å; M54-I146 HydrophobicContact CG-CG1 4.11Å |
| 55 | E | 97 | Very high | 85.7 | Confident | 19 Ų | 19 | 33.2 Ų | 33.2 | 9% | 0.089 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 124.1 | 170.2 | -172.3 | -174 | -173.7 | 0 | 0 | 109.8 | S57 V103 L104 V144 A145 R234 | E55-S57 PolarHBondContact OE1-OG 2.99Å; E55-V103 CarbonylContact C-O 3.54Å; E55-V103 VanDerWaalsContact CA-O 3.25Å; E55-V103 WeakPolarHBondContact CA-O 3.44Å; E55-L104 HydrophobicContact CB-CD1 3.97Å; E55-V144 CarbonylContact O-C 3.58Å; E55-V144 VanDerWaalsContact O-CA 3.27Å; E55-V144 WeakPolarHBondContact O-CA 3.42Å; E55-A145 HydrophobicContact CB-CB 4.31Å; E55-A145 PolarHBondContact N-O 3.14Å; E55-A145 PolarHBondContact O-N 3.39Å; E55-R234 IonicContact OE1-CZ 2.76Å; E55-R234 IonicContact OE1-NE 2.76Å; E55-R234 IonicContact OE1-NH2 3.9Å; E55-R234 PolarHBondContact OE1-NH2 3.22Å; E55-R234 IonicContact OE2-CZ 2.7Å; E55-R234 IonicContact OE2-NE 3.54Å; E55-R234 PolarHBondContact OE2-NE 2.86Å; E55-R234 IonicContact OE2-NH2 3.04Å; E55-R234 PolarHBondContact OE2-NH2 3.46Å |
| 56 | V | 97.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 124 | 171.7 | -176.8 | 0 | 0 | 0 | 0 | 108.3 | A69 L72 Y76 S102 V103 F105 T143 V144 | V56-A69 HydrophobicContact CG1-CB 4.11Å; V56-L72 HydrophobicContact CG1-CB 4.05Å; V56-L72 HydrophobicContact CG1-CD1 4.46Å; V56-Y76 HydrophobicContact CG2-CD2 4.24Å; V56-Y76 HydrophobicContact CG2-CE2 4.26Å; V56-S102 CarbonylContact O-C 3.58Å; V56-S102 VanDerWaalsContact O-CA 3.28Å; V56-S102 WeakPolarHBondContact O-CA 3.39Å; V56-V103 HydrophobicContact CB-CG1 3.78Å; V56-V103 HydrophobicContact CG2-CG1 4.46Å; V56-V103 PolarHBondContact N-O 2.63Å; V56-V103 PolarHBondContact O-N 3.28Å; V56-F105 HydrophobicContact CG2-CE1 4.06Å; V56-T143 CarbonylContact C-O 3.46Å; V56-T143 WeakPolarHBondContact CA-O 3.37Å; V56-V144 HydrophobicContact CG2-CG2 4.28Å |
| 57 | S | 96.8 | Very high | 89.2 | Confident | 18 Ų | 18 | 27.9 Ų | 27.9 | 13% | 0.126 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 143.1 | -177 | -74.9 | 0 | 0 | 0 | 0 | 112.4 | E55 G59 S102 A142 T143 | E55-S57 PolarHBondContact OE1-OG 2.99Å; S57-G59 PolarHBondContact O-N 3.23Å; S57-S102 WeakPolarHBondContact OG-CB 3.41Å; S57-A142 CarbonylContact O-C 3.5Å; S57-A142 VanDerWaalsContact O-CA 3.29Å; S57-A142 WeakPolarHBondContact O-CA 3.36Å; S57-T143 PolarHBondContact N-O 3.45Å; S57-T143 PolarHBondContact O-N 3.37Å |
| 58 | A | 96.5 | Very high | 91.1 | Very high | 10 Ų | 10 | 27.3 Ų | 27.3 | 8% | 0.083 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 126.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | C66 A69 R101 | A58-C66 HydrophobicContact CB-CB 4.38Å; A58-A69 HydrophobicContact CB-CB 4.25Å; A58-R101 PolarHBondContact N-O 3.39Å; A58-R101 PolarHBondContact O-NH1 3.44Å |
| 59 | G | 93.3 | Very high | 92.9 | Very high | 16 Ų | 16 | 23.4 Ų | 23.4 | 17% | 0.165 | 16% | 0.157 | C | C | . | . | trans | -92.6 | -136.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S57 S65 T141 | S57-G59 PolarHBondContact O-N 3.23Å; G59-S65 PolarHBondContact O-OG 3.18Å; G59-T141 CarbonylContact C-O 3.52Å; G59-T141 WeakPolarHBondContact CA-O 3.21Å; G59-T141 PolarHBondContact N-O 3.19Å | ||
| 60 | V | 92.7 | Very high | 94.1 | Very high | 74 Ų | 74 | 22.4 Ų | 22.4 | 45% | 0.448 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -80.5 | 126.4 | -179 | -177.7 | 0 | 0 | 0 | 0 | 109.8 | S140 T141 | V60-S140 CarbonylContact O-C 3.58Å; V60-S140 VanDerWaalsContact O-CA 3.24Å; V60-S140 WeakPolarHBondContact O-CA 3.49Å; V60-T141 PolarHBondContact N-OG1 3.19Å; V60-T141 PolarHBondContact O-N 3.47Å |
| 61 | G | 90 | Very high | 94.7 | Very high | 32 Ų | 32 | 20.6 Ų | 20.6 | 33% | 0.33 | 14% | 0.143 | S | C | . | . | S | Bend | trans | 148.2 | -3.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115 | A63 E64 | G61-A63 PolarHBondContact O-N 3.32Å; G61-E64 PolarHBondContact O-N 3.4Å |
| 62 | G | 90.4 | Very high | 95.1 | Very high | 53 Ų | 53 | 17.5 Ų | 17.5 | 55% | 0.546 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | -127.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | E64 S65 C66 | G62-E64 VanDerWaalsContact C-N 3.32Å; G62-E64 PolarHBondContact O-N 3.01Å; G62-S65 PolarHBondContact N-OG 3.16Å; G62-S65 PolarHBondContact O-N 2.96Å; G62-S65 PolarHBondContact O-OG 3.4Å; G62-C66 PolarHBondContact O-N 3.06Å; G62-C66 PolarHBondContact O-SG 3.15Å; G62-C66 VanDerWaalsContact O-SG 3.32Å |
| 63 | A | 92.7 | Very high | 95.4 | Very high | 37 Ų | 37 | 18.3 Ų | 18.3 | 31% | 0.306 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -63.4 | -38.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G61 S65 C66 L67 L97 | G61-A63 PolarHBondContact O-N 3.32Å; A63-S65 PolarHBondContact O-N 3.22Å; A63-C66 WeakPolarHBondContact O-CB 3.02Å; A63-C66 PolarHBondContact O-N 2.92Å; A63-C66 VanDerWaalsContact O-N 3.09Å; A63-L67 PolarHBondContact O-N 2.77Å; A63-L97 HydrophobicContact CB-CD1 4.38Å |
| 64 | E | 94.1 | Very high | 95.5 | Very high | 5 Ų | 5 | 21.2 Ų | 21.2 | 2% | 0.023 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.8 | -33.6 | -178.9 | 179 | 59 | -159.4 | 0 | 0 | 112.3 | G61 G62 C66 L67 F68 R127 P129 S140 | G61-E64 PolarHBondContact O-N 3.4Å; G62-E64 VanDerWaalsContact C-N 3.32Å; G62-E64 PolarHBondContact O-N 3.01Å; E64-C66 PolarHBondContact O-N 3Å; E64-L67 PolarHBondContact O-N 2.89Å; E64-F68 WeakPolarHBondContact O-CB 3.42Å; E64-F68 PolarHBondContact O-N 2.92Å; E64-R127 IonicContact OE1-CZ 2.69Å; E64-R127 IonicContact OE1-NE 3.02Å; E64-R127 PolarHBondContact OE1-NE 3.23Å; E64-R127 IonicContact OE1-NH2 3.62Å; E64-R127 PolarHBondContact OE1-NH2 3.36Å; E64-P129 HydrophobicContact CB-CB 4.35Å; E64-P129 HydrophobicContact CB-CG 4.33Å; E64-P129 HydrophobicContact CG-CB 4.18Å; E64-P129 HydrophobicContact CG-CG 3.99Å; E64-P129 WeakPolarHBondContact OE2-CA 3.47Å; E64-P129 VanDerWaalsContact OE2-CB 3.27Å; E64-P129 WeakPolarHBondContact OE2-CB 3.23Å; E64-S140 WeakPolarHBondContact CB-OG 3.43Å; E64-S140 WeakPolarHBondContact CG-OG 3.48Å |
| 65 | S | 95 | Very high | 95.6 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.3 | -29.1 | 173.6 | 54.6 | 0 | 0 | 0 | 0 | 112.3 | G59 G62 A63 A69 T141 | G59-S65 PolarHBondContact O-OG 3.18Å; G62-S65 PolarHBondContact N-OG 3.16Å; G62-S65 PolarHBondContact O-N 2.96Å; G62-S65 PolarHBondContact O-OG 3.4Å; A63-S65 PolarHBondContact O-N 3.22Å; S65-A69 WeakPolarHBondContact O-CB 3.47Å; S65-A69 PolarHBondContact O-N 2.9Å; S65-T141 WeakPolarHBondContact CB-O 3.26Å |
| 66 | C | 96.5 | Very high | 95.6 | Very high | 11 Ų | 11 | 20.4 Ų | 20.4 | 7% | 0.074 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -73 | -39.5 | 174.9 | -56.6 | 0 | 0 | 0 | 0 | 111.7 | A58 G62 A63 E64 F68 A69 A70 A95 G99 I100 | A58-C66 HydrophobicContact CB-CB 4.38Å; G62-C66 PolarHBondContact O-N 3.06Å; G62-C66 PolarHBondContact O-SG 3.15Å; G62-C66 VanDerWaalsContact O-SG 3.32Å; A63-C66 WeakPolarHBondContact O-CB 3.02Å; A63-C66 PolarHBondContact O-N 2.92Å; A63-C66 VanDerWaalsContact O-N 3.09Å; E64-C66 PolarHBondContact O-N 3Å; C66-F68 VanDerWaalsContact C-N 3.34Å; C66-A69 PolarHBondContact O-N 3.37Å; C66-A70 PolarHBondContact O-N 3.18Å; C66-A70 VanDerWaalsContact O-N 3.09Å; C66-A95 HydrophobicContact CB-CB 3.63Å; C66-G99 CarbonylContact O-C 3.45Å; C66-G99 WeakPolarHBondContact O-CA 3.41Å; C66-I100 VanDerWaalsContact CA-O 3.32Å; C66-I100 WeakPolarHBondContact CA-O 3.33Å; C66-I100 PolarHBondContact O-N 3.14Å |
| 67 | L | 96.3 | Very high | 95.5 | Very high | 19 Ų | 19 | 22.7 Ų | 22.7 | 10% | 0.099 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63 | -42.8 | 172.2 | -67.5 | 175.1 | 0 | 0 | 0 | 111.2 | A63 E64 A69 A70 D71 L97 T131 | A63-L67 PolarHBondContact O-N 2.77Å; E64-L67 PolarHBondContact O-N 2.89Å; L67-A69 PolarHBondContact O-N 2.96Å; L67-A70 WeakPolarHBondContact O-CA 3.47Å; L67-A70 VanDerWaalsContact O-CB 3.31Å; L67-A70 WeakPolarHBondContact O-CB 3.32Å; L67-A70 PolarHBondContact O-N 3.43Å; L67-A70 VanDerWaalsContact O-N 3.1Å; L67-D71 PolarHBondContact O-N 3.38Å; L67-L97 HydrophobicContact CD2-CB 4.35Å; L67-L97 WeakPolarHBondContact CD2-O 3.36Å; L67-T131 HydrophobicContact CD1-CG2 4.44Å |
| 68 | F | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66 | -37.1 | 177.2 | -178.2 | -129.8 | 0 | 0 | 0 | 113 | E64 C66 A70 D71 L72 H123 V125 A142 Y250 | E64-F68 WeakPolarHBondContact O-CB 3.42Å; E64-F68 PolarHBondContact O-N 2.92Å; C66-F68 VanDerWaalsContact C-N 3.34Å; F68-A70 VanDerWaalsContact C-N 3.25Å; F68-A70 PolarHBondContact O-N 3.4Å; F68-D71 HydrophobicContact CD2-CB 4.44Å; F68-D71 PolarHBondContact O-N 2.77Å; F68-L72 HydrophobicContact CD1-CD1 4.41Å; F68-L72 HydrophobicContact CD2-CG 4.37Å; F68-L72 HydrophobicContact CE1-CD1 3.88Å; F68-L72 HydrophobicContact CE1-CG 4.34Å; F68-L72 HydrophobicContact CE2-CD1 4.32Å; F68-L72 HydrophobicContact CE2-CD2 3.9Å; F68-L72 HydrophobicContact CE2-CG 3.89Å; F68-L72 HydrophobicContact CZ-CD1 3.82Å; F68-L72 HydrophobicContact CZ-CD2 3.86Å; F68-L72 HydrophobicContact CZ-CG 3.87Å; F68-L72 WeakPolarHBondContact O-CG 3.4Å; F68-L72 PolarHBondContact O-N 3.17Å; F68-H123 HydrophobicContact CE1-CB 3.95Å; F68-H123 HydrophobicContact CZ-CB 4.07Å; F68-V125 HydrophobicContact CB-CG1 3.78Å; F68-V125 HydrophobicContact CD1-CB 3.96Å; F68-V125 HydrophobicContact CD1-CG1 3.66Å; F68-V125 HydrophobicContact CD2-CB 3.65Å; F68-V125 HydrophobicContact CD2-CG1 3.77Å; F68-V125 HydrophobicContact CD2-CG2 4.1Å; F68-V125 HydrophobicContact CE1-CB 3.99Å; F68-V125 HydrophobicContact CE1-CG1 4.18Å; F68-V125 HydrophobicContact CE2-CB 3.7Å; F68-V125 HydrophobicContact CE2-CG1 4.29Å; F68-V125 HydrophobicContact CE2-CG2 4.2Å; F68-V125 HydrophobicContact CG-CB 3.8Å; F68-V125 HydrophobicContact CG-CG1 3.43Å; F68-V125 VanDerWaalsContact CG-CG1 3.43Å; F68-V125 HydrophobicContact CZ-CB 3.87Å; F68-V125 HydrophobicContact CZ-CG1 4.48Å; F68-A142 HydrophobicContact CD1-CB 3.59Å; F68-A142 HydrophobicContact CE1-CB 3.87Å; F68-Y250 HydrophobicContact CE2-CD2 4.02Å; F68-Y250 HydrophobicContact CE2-CE2 4.4Å; F68-Y250 HydrophobicContact CE2-CG 4.33Å; F68-Y250 AromaticContact CZ-CD2 3.55Å; F68-Y250 HydrophobicContact CZ-CD2 3.55Å; F68-Y250 AromaticContact CZ-CE2 3.83Å; F68-Y250 HydrophobicContact CZ-CE2 3.83Å; F68-Y250 HydrophobicContact CZ-CG 4.3Å |
| 69 | A | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.5 | -36.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V56 A58 S65 C66 L67 Y73 I100 A142 | V56-A69 HydrophobicContact CG1-CB 4.11Å; A58-A69 HydrophobicContact CB-CB 4.25Å; S65-A69 WeakPolarHBondContact O-CB 3.47Å; S65-A69 PolarHBondContact O-N 2.9Å; C66-A69 PolarHBondContact O-N 3.37Å; L67-A69 PolarHBondContact O-N 2.96Å; A69-Y73 WeakPolarHBondContact O-CB 3.48Å; A69-Y73 PolarHBondContact O-N 3.09Å; A69-I100 HydrophobicContact CB-CB 4.4Å; A69-I100 WeakPolarHBondContact CB-O 3.47Å; A69-A142 HydrophobicContact CB-CB 4.29Å |
| 70 | A | 97.2 | Very high | 95.6 | Very high | 9 Ų | 9 | 26.2 Ų | 26.2 | 7% | 0.074 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.5 | -42.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | C66 L67 F68 L72 Y73 N74 I100 | C66-A70 PolarHBondContact O-N 3.18Å; C66-A70 VanDerWaalsContact O-N 3.09Å; L67-A70 WeakPolarHBondContact O-CA 3.47Å; L67-A70 VanDerWaalsContact O-CB 3.31Å; L67-A70 WeakPolarHBondContact O-CB 3.32Å; L67-A70 PolarHBondContact O-N 3.43Å; L67-A70 VanDerWaalsContact O-N 3.1Å; F68-A70 VanDerWaalsContact C-N 3.25Å; F68-A70 PolarHBondContact O-N 3.4Å; A70-L72 PolarHBondContact O-N 3.29Å; A70-Y73 PolarHBondContact O-N 2.77Å; A70-N74 WeakPolarHBondContact O-CB 3.49Å; A70-N74 VanDerWaalsContact O-CG 3.23Å; A70-N74 PolarHBondContact O-N 3.01Å; A70-N74 PolarHBondContact O-ND2 3.44Å; A70-I100 HydrophobicContact CB-CB 4.39Å; A70-I100 HydrophobicContact CB-CD1 4.08Å; A70-I100 HydrophobicContact CB-CG1 3.88Å |
| 71 | D | 96.9 | Very high | 95.6 | Very high | 48 Ų | 48 | 26.4 Ų | 26.4 | 26% | 0.257 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -60.7 | -45.2 | 175.9 | -64.1 | -31 | 0 | 0 | 0 | 111.9 | L67 F68 N74 M75 R127 | L67-D71 PolarHBondContact O-N 3.38Å; F68-D71 HydrophobicContact CD2-CB 4.44Å; F68-D71 PolarHBondContact O-N 2.77Å; D71-N74 PolarHBondContact O-N 3.48Å; D71-M75 VanDerWaalsContact O-CB 3.32Å; D71-M75 WeakPolarHBondContact O-CB 3.3Å; D71-M75 PolarHBondContact O-N 2.74Å; D71-R127 IonicContact OD2-CZ 2.84Å; D71-R127 IonicContact OD2-NH1 3.59Å; D71-R127 PolarHBondContact OD2-NH1 2.92Å; D71-R127 IonicContact OD2-NH2 3.37Å; D71-R127 PolarHBondContact OD2-NH2 2.99Å |
| 72 | L | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64 | -43 | 177.4 | -69.2 | 180 | 0 | 0 | 0 | 111.9 | V56 F68 A70 M75 Y76 H123 A142 V144 Y250 L273 | V56-L72 HydrophobicContact CG1-CB 4.05Å; V56-L72 HydrophobicContact CG1-CD1 4.46Å; F68-L72 HydrophobicContact CD1-CD1 4.41Å; F68-L72 HydrophobicContact CD2-CG 4.37Å; F68-L72 HydrophobicContact CE1-CD1 3.88Å; F68-L72 HydrophobicContact CE1-CG 4.34Å; F68-L72 HydrophobicContact CE2-CD1 4.32Å; F68-L72 HydrophobicContact CE2-CD2 3.9Å; F68-L72 HydrophobicContact CE2-CG 3.89Å; F68-L72 HydrophobicContact CZ-CD1 3.82Å; F68-L72 HydrophobicContact CZ-CD2 3.86Å; F68-L72 HydrophobicContact CZ-CG 3.87Å; F68-L72 WeakPolarHBondContact O-CG 3.4Å; F68-L72 PolarHBondContact O-N 3.17Å; A70-L72 PolarHBondContact O-N 3.29Å; L72-M75 HydrophobicContact CD2-CE 4.06Å; L72-M75 WeakPolarHBondContact O-CB 3.48Å; L72-M75 PolarHBondContact O-N 3.38Å; L72-Y76 HydrophobicContact CB-CE2 4.32Å; L72-Y76 WeakPolarHBondContact O-CD2 3.37Å; L72-Y76 PolarHBondContact O-N 3.32Å; L72-H123 HydrophobicContact CD1-CB 3.93Å; L72-A142 HydrophobicContact CD1-CB 3.72Å; L72-V144 HydrophobicContact CD1-CG2 4.12Å; L72-Y250 HydrophobicContact CD2-CE2 4.1Å; L72-L273 HydrophobicContact CD2-CD2 4.25Å |
| 73 | Y | 97.8 | Very high | 95.8 | Very high | 17 Ų | 17 | 32 Ų | 32 | 7% | 0.067 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.7 | -50.4 | 175.6 | 169.1 | -111.6 | 0 | 0 | 0 | 111.3 | A69 A70 M75 Y76 Q77 V89 F92 I100 V103 F105 | A69-Y73 WeakPolarHBondContact O-CB 3.48Å; A69-Y73 PolarHBondContact O-N 3.09Å; A70-Y73 PolarHBondContact O-N 2.77Å; Y73-M75 VanDerWaalsContact C-N 3.32Å; Y73-M75 PolarHBondContact O-N 3.28Å; Y73-Y76 PolarHBondContact O-N 3.37Å; Y73-Q77 HydrophobicContact CD2-CG 4.22Å; Y73-Q77 HydrophobicContact CE1-CG 4.29Å; Y73-Q77 HydrophobicContact CE2-CG 3.81Å; Y73-Q77 VanDerWaalsContact CZ-OE1 3.25Å; Y73-Q77 WeakPolarHBondContact O-CG 3.14Å; Y73-Q77 PolarHBondContact O-N 2.52Å; Y73-Q77 PolarHBondContact OH-NE2 3.36Å; Y73-Q77 PolarHBondContact OH-OE1 3.21Å; Y73-V89 WeakPolarHBondContact OH-CG2 3.46Å; Y73-F92 HydrophobicContact CE1-CE2 4.07Å; Y73-I100 HydrophobicContact CD1-CD1 3.5Å; Y73-I100 VanDerWaalsContact CD1-CD1 3.5Å; Y73-I100 HydrophobicContact CE1-CD1 4.22Å; Y73-I100 HydrophobicContact CG-CD1 3.85Å; Y73-V103 HydrophobicContact CD2-CB 4.48Å; Y73-V103 HydrophobicContact CD2-CG1 3.72Å; Y73-V103 HydrophobicContact CD2-CG2 4.02Å; Y73-V103 HydrophobicContact CE2-CG1 4.37Å; Y73-V103 HydrophobicContact CE2-CG2 3.8Å; Y73-V103 HydrophobicContact CG-CG1 4Å; Y73-F105 AromaticContact CD2-CD1 3.86Å; Y73-F105 HydrophobicContact CD2-CD1 3.86Å; Y73-F105 AromaticContact CD2-CE1 3.62Å; Y73-F105 HydrophobicContact CD2-CE1 3.62Å; Y73-F105 HydrophobicContact CD2-CZ 4.1Å; Y73-F105 AromaticContact CE2-CD1 3.83Å; Y73-F105 HydrophobicContact CE2-CD1 3.83Å; Y73-F105 HydrophobicContact CE2-CE1 4.03Å; Y73-F105 HydrophobicContact CE2-CG 4.1Å; Y73-F105 HydrophobicContact CE2-CZ 4.47Å |
| 74 | N | 96.7 | Very high | 95.9 | Very high | 77 Ų | 77 | 33.5 Ų | 33.5 | 41% | 0.412 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.3 | -42 | 177.7 | -69.4 | -24.7 | 0 | 0 | 0 | 111.7 | A70 D71 Y76 Q77 Q78 | A70-N74 WeakPolarHBondContact O-CB 3.49Å; A70-N74 VanDerWaalsContact O-CG 3.23Å; A70-N74 PolarHBondContact O-N 3.01Å; A70-N74 PolarHBondContact O-ND2 3.44Å; D71-N74 PolarHBondContact O-N 3.48Å; N74-Y76 VanDerWaalsContact C-N 3.34Å; N74-Y76 PolarHBondContact O-N 3.3Å; N74-Q77 PolarHBondContact O-N 3Å; N74-Q78 VanDerWaalsContact O-CG 3.31Å; N74-Q78 WeakPolarHBondContact O-CG 3.49Å; N74-Q78 PolarHBondContact O-N 3.23Å |
| 75 | M | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -54.8 | -48.3 | 175.5 | -179.1 | -169.1 | 73.9 | 0 | 0 | 111.5 | D71 L72 Y73 Q78 Y79 I272 L273 G275 L279 | D71-M75 VanDerWaalsContact O-CB 3.32Å; D71-M75 WeakPolarHBondContact O-CB 3.3Å; D71-M75 PolarHBondContact O-N 2.74Å; L72-M75 HydrophobicContact CD2-CE 4.06Å; L72-M75 WeakPolarHBondContact O-CB 3.48Å; L72-M75 PolarHBondContact O-N 3.38Å; Y73-M75 VanDerWaalsContact C-N 3.32Å; Y73-M75 PolarHBondContact O-N 3.28Å; M75-Q78 PolarHBondContact O-N 2.98Å; M75-Y79 WeakPolarHBondContact O-CB 3.33Å; M75-Y79 PolarHBondContact O-N 3.44Å; M75-I272 WeakPolarHBondContact CG-O 3.33Å; M75-L273 WeakPolarHBondContact CA-O 3.27Å; M75-L273 VanDerWaalsContact CB-O 3.26Å; M75-L273 WeakPolarHBondContact CB-O 3.39Å; M75-L273 HydrophobicContact SD-CD2 3.96Å; M75-G275 WeakPolarHBondContact O-CA 3.41Å; M75-L279 HydrophobicContact CE-CD1 4.5Å; M75-L279 HydrophobicContact CE-CD2 4.24Å; M75-L279 HydrophobicContact CG-CD2 3.75Å; M75-L279 HydrophobicContact SD-CD1 4.11Å; M75-L279 HydrophobicContact SD-CD2 4.01Å |
| 76 | Y | 97.3 | Very high | 95.9 | Very high | 3 Ų | 3 | 37.6 Ų | 37.6 | 1% | 0.012 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69.7 | -36.1 | 179.4 | -65.3 | -56.5 | 0 | 0 | 0 | 112.8 | M54 V56 L72 Y73 N74 Y79 A80 L116 E119 V144 F283 | M54-Y76 HydrophobicContact CE-CD1 3.61Å; M54-Y76 HydrophobicContact CE-CD2 3.6Å; M54-Y76 HydrophobicContact CE-CE1 3.69Å; M54-Y76 HydrophobicContact CE-CE2 3.7Å; M54-Y76 HydrophobicContact CE-CG 3.57Å; M54-Y76 HydrophobicContact SD-CG 4.49Å; V56-Y76 HydrophobicContact CG2-CD2 4.24Å; V56-Y76 HydrophobicContact CG2-CE2 4.26Å; L72-Y76 HydrophobicContact CB-CE2 4.32Å; L72-Y76 WeakPolarHBondContact O-CD2 3.37Å; L72-Y76 PolarHBondContact O-N 3.32Å; Y73-Y76 PolarHBondContact O-N 3.37Å; N74-Y76 VanDerWaalsContact C-N 3.34Å; N74-Y76 PolarHBondContact O-N 3.3Å; Y76-Y79 PolarHBondContact O-N 3.45Å; Y76-A80 WeakPolarHBondContact O-CB 3.42Å; Y76-A80 PolarHBondContact O-N 3.42Å; Y76-L116 HydrophobicContact CD1-CD2 4.28Å; Y76-L116 HydrophobicContact CE1-CD2 4.4Å; Y76-E119 HydrophobicContact CE1-CB 4.31Å; Y76-E119 HydrophobicContact CE1-CG 4.03Å; Y76-E119 PolarHBondContact OH-OE2 3.1Å; Y76-V144 HydrophobicContact CE2-CG1 4.14Å; Y76-V144 HydrophobicContact CE2-CG2 4Å; Y76-F283 HydrophobicContact CE1-CZ 4.29Å |
| 77 | Q | 96 | Very high | 95.9 | Very high | 47 Ų | 47 | 38.7 Ų | 38.7 | 22% | 0.22 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.4 | -42.6 | 174.5 | -69.7 | -158.5 | -67.3 | 0 | 0 | 112.3 | Y73 N74 A80 S81 | Y73-Q77 HydrophobicContact CD2-CG 4.22Å; Y73-Q77 HydrophobicContact CE1-CG 4.29Å; Y73-Q77 HydrophobicContact CE2-CG 3.81Å; Y73-Q77 VanDerWaalsContact CZ-OE1 3.25Å; Y73-Q77 WeakPolarHBondContact O-CG 3.14Å; Y73-Q77 PolarHBondContact O-N 2.52Å; Y73-Q77 PolarHBondContact OH-NE2 3.36Å; Y73-Q77 PolarHBondContact OH-OE1 3.21Å; N74-Q77 PolarHBondContact O-N 3Å; Q77-A80 PolarHBondContact O-N 3.43Å; Q77-S81 WeakPolarHBondContact O-CB 3.48Å; Q77-S81 PolarHBondContact O-N 2.89Å; Q77-S81 PolarHBondContact O-OG 3.4Å |
| 78 | Q | 96.1 | Very high | 95.9 | Very high | 108 Ų | 108 | 42.4 Ų | 42.4 | 51% | 0.505 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66.8 | -40.9 | 176.8 | -67.6 | -58.4 | -23.2 | 0 | 0 | 111.3 | N74 M75 S81 H82 A274 | N74-Q78 VanDerWaalsContact O-CG 3.31Å; N74-Q78 WeakPolarHBondContact O-CG 3.49Å; N74-Q78 PolarHBondContact O-N 3.23Å; M75-Q78 PolarHBondContact O-N 2.98Å; Q78-S81 WeakPolarHBondContact O-CB 3.41Å; Q78-S81 PolarHBondContact O-N 2.92Å; Q78-H82 WeakPolarHBondContact O-CB 3.49Å; Q78-H82 PolarHBondContact O-N 3.34Å; Q78-A274 WeakPolarHBondContact CB-O 3.42Å |
| 79 | Y | 96.3 | Very high | 96 | Very high | 8 Ų | 8 | 45.7 Ų | 45.7 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63 | -43.7 | 175.7 | -174.6 | -99.4 | 0 | 0 | 0 | 112.6 | M75 Y76 S81 H82 K83 W85 L116 G275 L279 A280 F283 | M75-Y79 WeakPolarHBondContact O-CB 3.33Å; M75-Y79 PolarHBondContact O-N 3.44Å; Y76-Y79 PolarHBondContact O-N 3.45Å; Y79-S81 VanDerWaalsContact C-N 3.32Å; Y79-S81 PolarHBondContact O-N 3.47Å; Y79-H82 WeakPolarHBondContact O-CB 3.42Å; Y79-H82 PolarHBondContact O-N 2.86Å; Y79-K83 HydrophobicContact CD1-CG 4.33Å; Y79-K83 HydrophobicContact CE1-CG 3.8Å; Y79-K83 HydrophobicContact CE2-CG 4.37Å; Y79-K83 PolarHBondContact O-N 3.25Å; Y79-K83 WeakPolarHBondContact OH-CE 2.99Å; Y79-W85 AromaticContact CD1-CZ3 3.9Å; Y79-W85 HydrophobicContact CD1-CZ3 3.9Å; Y79-W85 AromaticContact CE1-CH2 3.81Å; Y79-W85 HydrophobicContact CE1-CH2 3.81Å; Y79-W85 AromaticContact CE1-CZ3 3.58Å; Y79-W85 HydrophobicContact CE1-CZ3 3.58Å; Y79-L116 HydrophobicContact CD1-CD2 4.37Å; Y79-L116 HydrophobicContact CE1-CD2 4.4Å; Y79-G275 VanDerWaalsContact CA-O 3.26Å; Y79-G275 WeakPolarHBondContact CA-O 3.33Å; Y79-G275 PolarHBondContact N-O 3.25Å; Y79-L279 HydrophobicContact CD2-CB 4.09Å; Y79-L279 HydrophobicContact CD2-CD2 3.77Å; Y79-L279 HydrophobicContact CD2-CG 4.11Å; Y79-L279 HydrophobicContact CE2-CB 4.41Å; Y79-L279 HydrophobicContact CE2-CG 4.47Å; Y79-L279 HydrophobicContact CG-CD2 3.9Å; Y79-A280 HydrophobicContact CE2-CB 4.11Å; Y79-F283 HydrophobicContact CD1-CD2 4.47Å; Y79-F283 AromaticContact CD1-CE2 3.72Å; Y79-F283 HydrophobicContact CD1-CE2 3.72Å; Y79-F283 HydrophobicContact CD2-CE2 4.14Å; Y79-F283 AromaticContact CE1-CD2 3.73Å; Y79-F283 HydrophobicContact CE1-CD2 3.73Å; Y79-F283 AromaticContact CE1-CE2 3.41Å; Y79-F283 HydrophobicContact CE1-CE2 3.41Å; Y79-F283 VanDerWaalsContact CE1-CE2 3.41Å; Y79-F283 HydrophobicContact CE2-CD2 4.01Å; Y79-F283 AromaticContact CE2-CE2 3.87Å; Y79-F283 HydrophobicContact CE2-CE2 3.87Å; Y79-F283 HydrophobicContact CG-CE2 4.06Å; Y79-F283 AromaticContact CZ-CD2 3.45Å; Y79-F283 VanDerWaalsContact CZ-CD2 3.45Å; Y79-F283 AromaticContact CZ-CE2 3.49Å; Y79-F283 VanDerWaalsContact CZ-CE2 3.49Å; Y79-F283 WeakPolarHBondContact OH-CD2 3.17Å |
| 80 | A | 95.4 | Very high | 95.8 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 2% | 0.017 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.2 | -45.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111 | Y76 Q77 H82 K83 G84 W85 T87 V107 | Y76-A80 WeakPolarHBondContact O-CB 3.42Å; Y76-A80 PolarHBondContact O-N 3.42Å; Q77-A80 PolarHBondContact O-N 3.43Å; A80-H82 VanDerWaalsContact C-N 3.33Å; A80-H82 PolarHBondContact O-N 3.37Å; A80-K83 CarbonylContact O-C 3.53Å; A80-K83 PolarHBondContact O-N 3.31Å; A80-K83 VanDerWaalsContact O-N 3.14Å; A80-G84 PolarHBondContact O-N 3.41Å; A80-W85 HydrophobicContact CB-CB 4.02Å; A80-W85 HydrophobicContact CB-CE3 4.36Å; A80-W85 PolarHBondContact O-N 3.45Å; A80-T87 HydrophobicContact CB-CG2 3.41Å; A80-T87 VanDerWaalsContact CB-CG2 3.41Å; A80-V107 HydrophobicContact CB-CG1 4.27Å |
| 81 | S | 94.3 | Very high | 95.7 | Very high | 79 Ų | 79 | 54.4 Ų | 54.4 | 55% | 0.552 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -60 | -41.8 | 176.2 | -57.7 | 0 | 0 | 0 | 0 | 112.2 | Q77 Q78 Y79 K83 G84 | Q77-S81 WeakPolarHBondContact O-CB 3.48Å; Q77-S81 PolarHBondContact O-N 2.89Å; Q77-S81 PolarHBondContact O-OG 3.4Å; Q78-S81 WeakPolarHBondContact O-CB 3.41Å; Q78-S81 PolarHBondContact O-N 2.92Å; Y79-S81 VanDerWaalsContact C-N 3.32Å; Y79-S81 PolarHBondContact O-N 3.47Å; S81-K83 VanDerWaalsContact C-N 3.32Å; S81-K83 PolarHBondContact O-N 2.97Å; S81-G84 PolarHBondContact O-N 2.92Å |
| 82 | H | 92.3 | Very high | 95.7 | Very high | 106 Ų | 106 | 56.3 Ų | 56.3 | 49% | 0.491 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64 | -35.6 | 176.5 | -179.7 | 70.1 | 0 | 0 | 0 | 112.6 | Q78 Y79 A80 G84 | Q78-H82 WeakPolarHBondContact O-CB 3.49Å; Q78-H82 PolarHBondContact O-N 3.34Å; Y79-H82 WeakPolarHBondContact O-CB 3.42Å; Y79-H82 PolarHBondContact O-N 2.86Å; A80-H82 VanDerWaalsContact C-N 3.33Å; A80-H82 PolarHBondContact O-N 3.37Å; H82-G84 VanDerWaalsContact C-N 3.32Å |
| 83 | K | 92.1 | Very high | 95.7 | Very high | 95 Ų | 95 | 61.2 Ų | 61.2 | 41% | 0.413 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -83.3 | -3.5 | 176 | -69.4 | -61.6 | -170.6 | -178.2 | 0 | 114.2 | Y79 A80 S81 W85 | Y79-K83 HydrophobicContact CD1-CG 4.33Å; Y79-K83 HydrophobicContact CE1-CG 3.8Å; Y79-K83 HydrophobicContact CE2-CG 4.37Å; Y79-K83 PolarHBondContact O-N 3.25Å; Y79-K83 WeakPolarHBondContact OH-CE 2.99Å; A80-K83 CarbonylContact O-C 3.53Å; A80-K83 PolarHBondContact O-N 3.31Å; A80-K83 VanDerWaalsContact O-N 3.14Å; S81-K83 VanDerWaalsContact C-N 3.32Å; S81-K83 PolarHBondContact O-N 2.97Å; K83-W85 VanDerWaalsContact C-N 3.29Å; K83-W85 HydrophobicContact CB-CD2 3.61Å; K83-W85 HydrophobicContact CB-CE3 4.07Å; K83-W85 HydrophobicContact CB-CG 3.91Å; K83-W85 HydrophobicContact CB-CH2 4.36Å; K83-W85 HydrophobicContact CB-CZ2 3.97Å; K83-W85 HydrophobicContact CB-CZ3 4.42Å; K83-W85 HydrophobicContact CG-CD2 4.37Å; K83-W85 HydrophobicContact CG-CE3 4.47Å; K83-W85 HydrophobicContact CG-CH2 4.11Å; K83-W85 HydrophobicContact CG-CZ2 4.03Å; K83-W85 HydrophobicContact CG-CZ3 4.34Å |
| 84 | G | 93.7 | Very high | 95.6 | Very high | 69 Ų | 69 | 67.6 Ų | 67.6 | 71% | 0.711 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.2 | 24.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A80 S81 H82 | A80-G84 PolarHBondContact O-N 3.41Å; S81-G84 PolarHBondContact O-N 2.92Å; H82-G84 VanDerWaalsContact C-N 3.32Å |
| 85 | W | 95.5 | Very high | 95.4 | Very high | 30 Ų | 30 | 65.4 Ų | 65.4 | 11% | 0.114 | 35% | 0.352 | C | S | . | . | trans | -88.6 | 149.3 | 175.3 | -58.6 | -16.3 | 0 | 0 | 0 | 110.6 | Y79 A80 K83 V107 T108 E110 A112 A115 L116 | Y79-W85 AromaticContact CD1-CZ3 3.9Å; Y79-W85 HydrophobicContact CD1-CZ3 3.9Å; Y79-W85 AromaticContact CE1-CH2 3.81Å; Y79-W85 HydrophobicContact CE1-CH2 3.81Å; Y79-W85 AromaticContact CE1-CZ3 3.58Å; Y79-W85 HydrophobicContact CE1-CZ3 3.58Å; A80-W85 HydrophobicContact CB-CB 4.02Å; A80-W85 HydrophobicContact CB-CE3 4.36Å; A80-W85 PolarHBondContact O-N 3.45Å; K83-W85 VanDerWaalsContact C-N 3.29Å; K83-W85 HydrophobicContact CB-CD2 3.61Å; K83-W85 HydrophobicContact CB-CE3 4.07Å; K83-W85 HydrophobicContact CB-CG 3.91Å; K83-W85 HydrophobicContact CB-CH2 4.36Å; K83-W85 HydrophobicContact CB-CZ2 3.97Å; K83-W85 HydrophobicContact CB-CZ3 4.42Å; K83-W85 HydrophobicContact CG-CD2 4.37Å; K83-W85 HydrophobicContact CG-CE3 4.47Å; K83-W85 HydrophobicContact CG-CH2 4.11Å; K83-W85 HydrophobicContact CG-CZ2 4.03Å; K83-W85 HydrophobicContact CG-CZ3 4.34Å; W85-V107 HydrophobicContact CB-CG1 4.15Å; W85-V107 HydrophobicContact CD2-CG1 4.44Å; W85-V107 HydrophobicContact CE3-CG1 3.85Å; W85-T108 CarbonylContact C-O 3.54Å; W85-T108 WeakPolarHBondContact CA-O 3.39Å; W85-T108 WeakPolarHBondContact CB-O 3.41Å; W85-E110 PolarHBondContact NE1-O 3.4Å; W85-A112 HydrophobicContact CD2-CB 4.07Å; W85-A112 HydrophobicContact CE3-CB 4.14Å; W85-A112 HydrophobicContact CH2-CB 4.3Å; W85-A112 HydrophobicContact CZ2-CB 4.2Å; W85-A112 HydrophobicContact CZ3-CB 4.26Å; W85-A115 HydrophobicContact CH2-CB 3.66Å; W85-A115 HydrophobicContact CZ2-CB 4.41Å; W85-L116 HydrophobicContact CE3-CD1 4.43Å; W85-L116 HydrophobicContact CZ3-CD1 3.82Å; W85-L116 HydrophobicContact CZ3-CG 4.13Å | ||
| 86 | S | 95.1 | Very high | 94.9 | Very high | 62 Ų | 62 | 69.1 Ų | 69.1 | 43% | 0.434 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 146.2 | 172.7 | 57.8 | 0 | 0 | 0 | 0 | 110.8 | V107 T108 | S86-V107 WeakPolarHBondContact O-CA 3.49Å; S86-T108 PolarHBondContact N-O 3.27Å; S86-T108 PolarHBondContact O-N 3.34Å; S86-T108 WeakPolarHBondContact OG-CB 3.36Å |
| 87 | T | 96.3 | Very high | 94.4 | Very high | 34 Ų | 34 | 74.8 Ų | 74.8 | 21% | 0.209 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 128.6 | 174.8 | 66 | 0 | 0 | 0 | 0 | 110.3 | A80 S106 V107 | A80-T87 HydrophobicContact CB-CG2 3.41Å; A80-T87 VanDerWaalsContact CB-CG2 3.41Å; T87-S106 VanDerWaalsContact CA-O 3.24Å; T87-S106 WeakPolarHBondContact CA-O 3.48Å; T87-V107 HydrophobicContact CG2-CG1 4.42Å; T87-V107 HydrophobicContact CG2-CG2 4.14Å |
| 88 | D | 96.5 | Very high | 94 | Very high | 97 Ų | 97 | 75.7 Ų | 75.7 | 52% | 0.519 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 125.7 | 177.1 | -65 | -46.7 | 0 | 0 | 0 | 111.1 | L90 F105 S106 | D88-L90 PolarHBondContact O-N 3.02Å; D88-F105 CarbonylContact O-C 3.47Å; D88-F105 WeakPolarHBondContact O-CA 3.45Å; D88-F105 WeakPolarHBondContact O-CB 3.32Å; D88-S106 PolarHBondContact N-O 2.69Å; D88-S106 VanDerWaalsContact N-O 3.09Å; D88-S106 PolarHBondContact O-N 2.69Å; D88-S106 PolarHBondContact O-OG 2.75Å |
| 89 | V | 97.2 | Very high | 93.9 | Very high | 68 Ų | 68 | 70.6 Ų | 70.6 | 41% | 0.412 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 120.7 | -178.5 | -176.6 | 0 | 0 | 0 | 0 | 110 | Y73 F92 V103 F105 | Y73-V89 WeakPolarHBondContact OH-CG2 3.46Å; V89-F92 HydrophobicContact CG1-CB 3.95Å; V89-F92 HydrophobicContact CG1-CD2 4.16Å; V89-F92 HydrophobicContact CG1-CG 4.5Å; V89-V103 HydrophobicContact CG1-CG2 4.19Å; V89-F105 HydrophobicContact CG2-CB 4.37Å |
| 90 | L | 94.4 | Very high | 93.9 | Very high | 101 Ų | 101 | 70.5 Ų | 70.5 | 53% | 0.529 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | -35.2 | 179.3 | -59.7 | 179.1 | 0 | 0 | 0 | 112.2 | L53 D88 L104 | L53-L90 HydrophobicContact CD2-CD1 3.42Å; L53-L90 VanDerWaalsContact CD2-CD1 3.42Å; D88-L90 PolarHBondContact O-N 3.02Å; L90-L104 HydrophobicContact CB-CD2 4.33Å; L90-L104 HydrophobicContact CB-CG 4.36Å; L90-L104 HydrophobicContact CD1-CD2 4.43Å; L90-L104 HydrophobicContact CD1-CG 4.47Å; L90-L104 PolarHBondContact N-O 3.16Å |
| 91 | Q | 95.6 | Very high | 94 | Very high | 92 Ų | 92 | 76.7 Ų | 76.7 | 43% | 0.43 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 133.6 | 176.8 | -169.4 | 174.9 | 29.5 | 0 | 0 | 110 | V103 L104 | Q91-V103 CarbonylContact O-C 3.54Å; Q91-V103 VanDerWaalsContact O-CA 3.31Å; Q91-V103 WeakPolarHBondContact O-CA 3.35Å; Q91-V103 WeakPolarHBondContact O-CG2 3.23Å; Q91-L104 HydrophobicContact CB-CB 3.95Å; Q91-L104 PolarHBondContact N-O 3.41Å; Q91-L104 PolarHBondContact O-N 2.89Å |
| 92 | F | 96.9 | Very high | 94 | Very high | 87 Ų | 87 | 73.6 Ų | 73.6 | 38% | 0.382 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 123.2 | 178.6 | -162 | -103.3 | 0 | 0 | 0 | 109.6 | Y73 V89 E94 I100 V103 | Y73-F92 HydrophobicContact CE1-CE2 4.07Å; V89-F92 HydrophobicContact CG1-CB 3.95Å; V89-F92 HydrophobicContact CG1-CD2 4.16Å; V89-F92 HydrophobicContact CG1-CG 4.5Å; F92-E94 HydrophobicContact CD1-CG 3.57Å; F92-E94 HydrophobicContact CE1-CG 3.24Å; F92-E94 WeakPolarHBondContact CE1-OE1 3.38Å; F92-E94 HydrophobicContact CZ-CG 4.36Å; F92-I100 HydrophobicContact CE2-CD1 3.53Å; F92-I100 HydrophobicContact CE2-CG1 4.07Å; F92-I100 HydrophobicContact CZ-CD1 3.71Å; F92-I100 HydrophobicContact CZ-CG1 3.84Å; F92-V103 HydrophobicContact CD2-CB 3.99Å; F92-V103 HydrophobicContact CD2-CG2 3.57Å; F92-V103 HydrophobicContact CE2-CB 4.35Å; F92-V103 HydrophobicContact CE2-CG2 4.11Å |
| 93 | K | 96.8 | Very high | 94.3 | Very high | 104 Ų | 104 | 68.6 Ų | 68.6 | 45% | 0.452 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 105.3 | 173.9 | -60.1 | -169.5 | -167.8 | 162.4 | 0 | 109.4 | R101 S102 | K93-R101 HydrophobicContact CB-CB 4.29Å; K93-R101 PolarHBondContact O-N 3.17Å; K93-S102 WeakPolarHBondContact CB-O 3.46Å; K93-S102 VanDerWaalsContact CD-OG 3.31Å; K93-S102 WeakPolarHBondContact CD-OG 3.32Å; K93-S102 WeakPolarHBondContact CG-OG 3.43Å; K93-S102 PolarHBondContact N-O 3.27Å; K93-S102 PolarHBondContact O-N 2.92Å |
| 94 | E | 94.9 | Very high | 94.5 | Very high | 151 Ų | 151 | 65.8 Ų | 65.8 | 71% | 0.706 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 150.1 | 176.4 | -70.1 | 177.7 | -169 | 0 | 0 | 111.8 | F92 | F92-E94 HydrophobicContact CD1-CG 3.57Å; F92-E94 HydrophobicContact CE1-CG 3.24Å; F92-E94 WeakPolarHBondContact CE1-OE1 3.38Å; F92-E94 HydrophobicContact CZ-CG 4.36Å |
| 95 | A | 92.9 | Very high | 94.7 | Very high | 31 Ų | 31 | 62.5 Ų | 62.5 | 26% | 0.256 | 34% | 0.34 | S | S | . | . | trans | -117.8 | 180 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | C66 G99 R101 | C66-A95 HydrophobicContact CB-CB 3.63Å; A95-G99 WeakPolarHBondContact CA-O 3.34Å; A95-G99 WeakPolarHBondContact CB-O 3.41Å; A95-G99 PolarHBondContact N-O 2.88Å; A95-R101 HydrophobicContact CB-CB 4.39Å | ||
| 96 | S | 86.8 | Confident | 94.7 | Very high | 77 Ų | 77 | 61.3 Ų | 61.3 | 54% | 0.538 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -64.6 | 159.7 | 174.6 | 50.8 | 0 | 0 | 0 | 0 | 112 | G98 G99 | S96-G98 PolarHBondContact O-N 3.06Å; S96-G99 PolarHBondContact O-N 2.79Å |
| 97 | L | 86.8 | Confident | 94.7 | Very high | 123 Ų | 123 | 58.4 Ų | 58.4 | 64% | 0.644 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | 61.7 | 22 | 173.7 | -58.7 | 156.7 | 0 | 0 | 0 | 114.7 | A63 L67 G99 T131 | A63-L97 HydrophobicContact CB-CD1 4.38Å; L67-L97 HydrophobicContact CD2-CB 4.35Å; L67-L97 WeakPolarHBondContact CD2-O 3.36Å; L97-G99 VanDerWaalsContact C-N 3.25Å; L97-G99 PolarHBondContact O-N 2.85Å; L97-T131 HydrophobicContact CD1-CG2 3.39Å |
| 98 | G | 88.7 | Confident | 94.6 | Very high | 65 Ų | 65 | 58.9 Ų | 58.9 | 67% | 0.67 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | 76.7 | 11.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | S96 | S96-G98 PolarHBondContact O-N 3.06Š|
| 99 | G | 93 | Very high | 94.5 | Very high | 2 Ų | 2 | 54.9 Ų | 54.9 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | trans | -72.8 | 162.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | C66 A95 S96 L97 | C66-G99 CarbonylContact O-C 3.45Å; C66-G99 WeakPolarHBondContact O-CA 3.41Å; A95-G99 WeakPolarHBondContact CA-O 3.34Å; A95-G99 WeakPolarHBondContact CB-O 3.41Å; A95-G99 PolarHBondContact N-O 2.88Å; S96-G99 PolarHBondContact O-N 2.79Å; L97-G99 VanDerWaalsContact C-N 3.25Å; L97-G99 PolarHBondContact O-N 2.85Å | ||
| 100 | I | 96.7 | Very high | 94.1 | Very high | 5 Ų | 5 | 58.9 Ų | 58.9 | 3% | 0.026 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 127.3 | 175.1 | -64.4 | 179.5 | 0 | 0 | 0 | 108.8 | C66 A69 A70 Y73 F92 V103 | C66-I100 VanDerWaalsContact CA-O 3.32Å; C66-I100 WeakPolarHBondContact CA-O 3.33Å; C66-I100 PolarHBondContact O-N 3.14Å; A69-I100 HydrophobicContact CB-CB 4.4Å; A69-I100 WeakPolarHBondContact CB-O 3.47Å; A70-I100 HydrophobicContact CB-CB 4.39Å; A70-I100 HydrophobicContact CB-CD1 4.08Å; A70-I100 HydrophobicContact CB-CG1 3.88Å; Y73-I100 HydrophobicContact CD1-CD1 3.5Å; Y73-I100 VanDerWaalsContact CD1-CD1 3.5Å; Y73-I100 HydrophobicContact CE1-CD1 4.22Å; Y73-I100 HydrophobicContact CG-CD1 3.85Å; F92-I100 HydrophobicContact CE2-CD1 3.53Å; F92-I100 HydrophobicContact CE2-CG1 4.07Å; F92-I100 HydrophobicContact CZ-CD1 3.71Å; F92-I100 HydrophobicContact CZ-CG1 3.84Å; I100-V103 HydrophobicContact CD1-CG1 4.37Å; I100-V103 HydrophobicContact CG2-CB 3.92Å; I100-V103 HydrophobicContact CG2-CG1 3.94Å |
| 101 | R | 96.6 | Very high | 93.7 | Very high | 132 Ų | 132 | 59 Ų | 59 | 50% | 0.498 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | -46.5 | 171.8 | -175.9 | 63.1 | -178.6 | 139.3 | 4.9 | 110.8 | A58 K93 A95 | A58-R101 PolarHBondContact N-O 3.39Å; A58-R101 PolarHBondContact O-NH1 3.44Å; K93-R101 HydrophobicContact CB-CB 4.29Å; K93-R101 PolarHBondContact O-N 3.17Å; A95-R101 HydrophobicContact CB-CB 4.39Å |
| 102 | S | 96.3 | Very high | 93.5 | Very high | 14 Ų | 14 | 54.6 Ų | 54.6 | 10% | 0.098 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 140.3 | 173.4 | 62.8 | 0 | 0 | 0 | 0 | 110.5 | V56 S57 K93 | V56-S102 CarbonylContact O-C 3.58Å; V56-S102 VanDerWaalsContact O-CA 3.28Å; V56-S102 WeakPolarHBondContact O-CA 3.39Å; S57-S102 WeakPolarHBondContact OG-CB 3.41Å; K93-S102 WeakPolarHBondContact CB-O 3.46Å; K93-S102 VanDerWaalsContact CD-OG 3.31Å; K93-S102 WeakPolarHBondContact CD-OG 3.32Å; K93-S102 WeakPolarHBondContact CG-OG 3.43Å; K93-S102 PolarHBondContact N-O 3.27Å; K93-S102 PolarHBondContact O-N 2.92Å |
| 103 | V | 97.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 138.5 | 171.8 | 58 | 0 | 0 | 0 | 0 | 109.4 | E55 V56 Y73 V89 Q91 F92 I100 F105 | E55-V103 CarbonylContact C-O 3.54Å; E55-V103 VanDerWaalsContact CA-O 3.25Å; E55-V103 WeakPolarHBondContact CA-O 3.44Å; V56-V103 HydrophobicContact CB-CG1 3.78Å; V56-V103 HydrophobicContact CG2-CG1 4.46Å; V56-V103 PolarHBondContact N-O 2.63Å; V56-V103 PolarHBondContact O-N 3.28Å; Y73-V103 HydrophobicContact CD2-CB 4.48Å; Y73-V103 HydrophobicContact CD2-CG1 3.72Å; Y73-V103 HydrophobicContact CD2-CG2 4.02Å; Y73-V103 HydrophobicContact CE2-CG1 4.37Å; Y73-V103 HydrophobicContact CE2-CG2 3.8Å; Y73-V103 HydrophobicContact CG-CG1 4Å; V89-V103 HydrophobicContact CG1-CG2 4.19Å; Q91-V103 CarbonylContact O-C 3.54Å; Q91-V103 VanDerWaalsContact O-CA 3.31Å; Q91-V103 WeakPolarHBondContact O-CA 3.35Å; Q91-V103 WeakPolarHBondContact O-CG2 3.23Å; F92-V103 HydrophobicContact CD2-CB 3.99Å; F92-V103 HydrophobicContact CD2-CG2 3.57Å; F92-V103 HydrophobicContact CE2-CB 4.35Å; F92-V103 HydrophobicContact CE2-CG2 4.11Å; I100-V103 HydrophobicContact CD1-CG1 4.37Å; I100-V103 HydrophobicContact CG2-CB 3.92Å; I100-V103 HydrophobicContact CG2-CG1 3.94Å; V103-F105 HydrophobicContact CG1-CD1 4.37Å; V103-F105 HydrophobicContact CG1-CE1 4.42Å; V103-F105 HydrophobicContact CG2-CD1 4.02Å |
| 104 | L | 96.7 | Very high | 92.8 | Very high | 36 Ų | 36 | 49 Ų | 49 | 19% | 0.188 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 125.1 | 170 | 179.4 | 70.9 | 0 | 0 | 0 | 107.6 | L53 M54 E55 L90 Q91 | L53-L104 HydrophobicContact CB-CD1 4.4Å; M54-L104 WeakPolarHBondContact O-CA 3.31Å; E55-L104 HydrophobicContact CB-CD1 3.97Å; L90-L104 HydrophobicContact CB-CD2 4.33Å; L90-L104 HydrophobicContact CB-CG 4.36Å; L90-L104 HydrophobicContact CD1-CD2 4.43Å; L90-L104 HydrophobicContact CD1-CG 4.47Å; L90-L104 PolarHBondContact N-O 3.16Å; Q91-L104 HydrophobicContact CB-CB 3.95Å; Q91-L104 PolarHBondContact N-O 3.41Å; Q91-L104 PolarHBondContact O-N 2.89Å |
| 105 | F | 97 | Very high | 92.6 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 149.7 | -179.8 | 62.2 | -77.4 | 0 | 0 | 0 | 110.2 | M54 V56 Y73 D88 V89 V103 V107 | M54-F105 HydrophobicContact CB-CD1 4.21Å; M54-F105 HydrophobicContact CB-CD2 4.42Å; M54-F105 HydrophobicContact CB-CE1 3.72Å; M54-F105 HydrophobicContact CB-CE2 3.95Å; M54-F105 HydrophobicContact CB-CZ 3.58Å; M54-F105 HydrophobicContact CG-CZ 4.4Å; M54-F105 PolarHBondContact N-O 2.85Å; M54-F105 WeakPolarHBondContact O-CD1 3.47Å; M54-F105 PolarHBondContact O-N 3.39Å; M54-F105 HydrophobicContact SD-CE2 4.14Å; M54-F105 HydrophobicContact SD-CZ 4.02Å; V56-F105 HydrophobicContact CG2-CE1 4.06Å; Y73-F105 AromaticContact CD2-CD1 3.86Å; Y73-F105 HydrophobicContact CD2-CD1 3.86Å; Y73-F105 AromaticContact CD2-CE1 3.62Å; Y73-F105 HydrophobicContact CD2-CE1 3.62Å; Y73-F105 HydrophobicContact CD2-CZ 4.1Å; Y73-F105 AromaticContact CE2-CD1 3.83Å; Y73-F105 HydrophobicContact CE2-CD1 3.83Å; Y73-F105 HydrophobicContact CE2-CE1 4.03Å; Y73-F105 HydrophobicContact CE2-CG 4.1Å; Y73-F105 HydrophobicContact CE2-CZ 4.47Å; D88-F105 CarbonylContact O-C 3.47Å; D88-F105 WeakPolarHBondContact O-CA 3.45Å; D88-F105 WeakPolarHBondContact O-CB 3.32Å; V89-F105 HydrophobicContact CG2-CB 4.37Å; V103-F105 HydrophobicContact CG1-CD1 4.37Å; V103-F105 HydrophobicContact CG1-CE1 4.42Å; V103-F105 HydrophobicContact CG2-CD1 4.02Å; F105-V107 HydrophobicContact CD2-CG2 3.8Å; F105-V107 HydrophobicContact CE2-CG2 3.56Å |
| 106 | S | 95.4 | Very high | 92.6 | Very high | 5 Ų | 5 | 41 Ų | 41 | 4% | 0.035 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 151.5 | 169.6 | 58.8 | 0 | 0 | 0 | 0 | 110.3 | L52 T87 D88 | L52-S106 CarbonylContact O-C 3.53Å; L52-S106 VanDerWaalsContact O-CA 3.25Å; L52-S106 WeakPolarHBondContact O-CA 3.43Å; T87-S106 VanDerWaalsContact CA-O 3.24Å; T87-S106 WeakPolarHBondContact CA-O 3.48Å; D88-S106 PolarHBondContact N-O 2.69Å; D88-S106 VanDerWaalsContact N-O 3.09Å; D88-S106 PolarHBondContact O-N 2.69Å; D88-S106 PolarHBondContact O-OG 2.75Å |
| 107 | V | 95.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 123.7 | 168.6 | -175.5 | 0 | 0 | 0 | 0 | 107.3 | E51 L52 M54 A80 W85 S86 T87 F105 A112 L116 | E51-V107 WeakPolarHBondContact CA-O 3.31Å; L52-V107 HydrophobicContact CD1-CB 4.02Å; L52-V107 HydrophobicContact CD1-CG2 4.15Å; L52-V107 HydrophobicContact CD2-CB 4.24Å; L52-V107 HydrophobicContact CG-CB 3.96Å; L52-V107 PolarHBondContact N-O 3.1Å; L52-V107 VanDerWaalsContact N-O 3.07Å; L52-V107 PolarHBondContact O-N 2.88Å; M54-V107 HydrophobicContact SD-CG2 3.96Å; A80-V107 HydrophobicContact CB-CG1 4.27Å; W85-V107 HydrophobicContact CB-CG1 4.15Å; W85-V107 HydrophobicContact CD2-CG1 4.44Å; W85-V107 HydrophobicContact CE3-CG1 3.85Å; S86-V107 WeakPolarHBondContact O-CA 3.49Å; T87-V107 HydrophobicContact CG2-CG1 4.42Å; T87-V107 HydrophobicContact CG2-CG2 4.14Å; F105-V107 HydrophobicContact CD2-CG2 3.8Å; F105-V107 HydrophobicContact CE2-CG2 3.56Å; V107-A112 HydrophobicContact CG1-CB 4.37Å; V107-L116 HydrophobicContact CG1-CD1 4.42Å |
| 108 | T | 94.6 | Very high | 93 | Very high | 44 Ų | 44 | 35.2 Ų | 35.2 | 27% | 0.27 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 124.3 | -178.2 | -42.9 | 0 | 0 | 0 | 0 | 109.6 | N50 E51 W85 S86 | N50-T108 CarbonylContact O-C 3.51Å; N50-T108 WeakPolarHBondContact O-CA 3.45Å; E51-T108 HydrophobicContact CB-CG2 4.39Å; E51-T108 HydrophobicContact CG-CG2 4.36Å; W85-T108 CarbonylContact C-O 3.54Å; W85-T108 WeakPolarHBondContact CA-O 3.39Å; W85-T108 WeakPolarHBondContact CB-O 3.41Å; S86-T108 PolarHBondContact N-O 3.27Å; S86-T108 PolarHBondContact O-N 3.34Å; S86-T108 WeakPolarHBondContact OG-CB 3.36Å |
| 109 | G | 92.8 | Very high | 93.3 | Very high | 14 Ų | 14 | 32.1 Ų | 32.1 | 14% | 0.144 | 16% | 0.155 | C | C | . | . | S | Bend | trans | 174.7 | 160.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | N50 K111 A112 | N50-G109 CarbonylContact C-O 3.58Å; N50-G109 VanDerWaalsContact CA-O 3.23Å; N50-G109 WeakPolarHBondContact CA-O 3.31Å; N50-G109 WeakPolarHBondContact CB-O 3.21Å; N50-G109 PolarHBondContact O-N 3.18Å; G109-K111 PolarHBondContact O-N 3.23Å; G109-K111 VanDerWaalsContact O-N 3.17Å; G109-A112 WeakPolarHBondContact O-CB 3.36Å; G109-A112 PolarHBondContact O-N 3.21Å; G109-A112 VanDerWaalsContact O-N 3.14Å |
| 110 | E | 89.7 | Confident | 93.4 | Very high | 151 Ų | 151 | 32.8 Ų | 32.8 | 71% | 0.706 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 121.4 | -179.9 | -173.7 | 179.4 | 175 | 0 | 0 | 110.9 | N50 W85 A112 | N50-E110 WeakPolarHBondContact OD1-CA 3.49Å; W85-E110 PolarHBondContact NE1-O 3.4Å; E110-A112 PolarHBondContact O-N 2.93Å; E110-A112 VanDerWaalsContact O-N 3.1Å |
| 111 | K | 86.5 | Confident | 93.3 | Very high | 104 Ų | 104 | 32.8 Ų | 32.8 | 45% | 0.452 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 28.5 | 179.9 | -64.5 | 169.1 | 156.2 | -109.2 | 0 | 113.7 | N50 G109 F113 E114 A115 | N50-K111 PolarHBondContact OD1-N 3.4Å; G109-K111 PolarHBondContact O-N 3.23Å; G109-K111 VanDerWaalsContact O-N 3.17Å; K111-F113 VanDerWaalsContact C-N 3.27Å; K111-F113 PolarHBondContact O-N 2.7Å; K111-E114 HydrophobicContact CB-CB 4.16Å; K111-E114 WeakPolarHBondContact CD-OE2 3.3Å; K111-E114 IonicContact NZ-OE1 3.33Å; K111-E114 IonicContact NZ-OE2 3.9Å; K111-E114 PolarHBondContact NZ-OE2 2.76Å; K111-E114 PolarHBondContact O-N 2.95Å; K111-A115 PolarHBondContact O-N 3.26Å |
| 112 | A | 91 | Very high | 93.3 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.3 | -40.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L52 W85 V107 G109 E110 A115 L116 | L52-A112 HydrophobicContact CD2-CB 3.65Å; L52-A112 VanDerWaalsContact CD2-O 3.29Å; L52-A112 WeakPolarHBondContact CD2-O 3.5Å; W85-A112 HydrophobicContact CD2-CB 4.07Å; W85-A112 HydrophobicContact CE3-CB 4.14Å; W85-A112 HydrophobicContact CH2-CB 4.3Å; W85-A112 HydrophobicContact CZ2-CB 4.2Å; W85-A112 HydrophobicContact CZ3-CB 4.26Å; V107-A112 HydrophobicContact CG1-CB 4.37Å; G109-A112 WeakPolarHBondContact O-CB 3.36Å; G109-A112 PolarHBondContact O-N 3.21Å; G109-A112 VanDerWaalsContact O-N 3.14Å; E110-A112 PolarHBondContact O-N 2.93Å; E110-A112 VanDerWaalsContact O-N 3.1Å; A112-A115 PolarHBondContact O-N 3.3Å; A112-L116 PolarHBondContact O-N 3.49Å; A112-L116 VanDerWaalsContact O-N 3.08Å |
| 113 | F | 91.2 | Very high | 93.4 | Very high | 18 Ų | 18 | 25.9 Ų | 25.9 | 8% | 0.079 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.6 | -45.5 | 178.4 | -173.7 | -96.8 | 0 | 0 | 0 | 111.5 | C46 D49 L52 K111 A115 L116 Q117 I146 P148 | C46-F113 HydrophobicContact CB-CD1 4.11Å; C46-F113 HydrophobicContact CB-CE1 3.8Å; C46-F113 HydrophobicContact CB-CZ 4.4Å; C46-F113 WeakPolarHBondContact O-CD1 3.46Å; D49-F113 HydrophobicContact CB-CB 4.34Å; D49-F113 WeakPolarHBondContact O-CB 3.46Å; L52-F113 HydrophobicContact CB-CB 4.34Å; L52-F113 HydrophobicContact CB-CD2 3.78Å; L52-F113 HydrophobicContact CD2-CB 4.26Å; K111-F113 VanDerWaalsContact C-N 3.27Å; K111-F113 PolarHBondContact O-N 2.7Å; F113-A115 PolarHBondContact O-N 2.97Å; F113-L116 PolarHBondContact O-N 3.28Å; F113-Q117 HydrophobicContact CD1-CB 4.19Å; F113-Q117 HydrophobicContact CE1-CB 3.83Å; F113-Q117 HydrophobicContact CE2-CB 4.24Å; F113-Q117 HydrophobicContact CZ-CB 3.87Å; F113-Q117 WeakPolarHBondContact O-CB 3.38Å; F113-Q117 WeakPolarHBondContact O-CG 3.48Å; F113-Q117 PolarHBondContact O-N 2.83Å; F113-I146 HydrophobicContact CD2-CG2 4.44Å; F113-I146 HydrophobicContact CE2-CG2 4.19Å; F113-P148 HydrophobicContact CD2-CB 4.26Å; F113-P148 HydrophobicContact CE2-CB 3.97Å; F113-P148 HydrophobicContact CE2-CG 4.36Å; F113-P148 HydrophobicContact CZ-CB 4.3Å; F113-P148 HydrophobicContact CZ-CG 4.46Å |
| 114 | E | 88.5 | Confident | 93.4 | Very high | 54 Ų | 54 | 28 Ų | 28 | 25% | 0.252 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -54.8 | -39.2 | 177.8 | -164.8 | -172.8 | 154.1 | 0 | 0 | 112.6 | K111 Q287 | K111-E114 HydrophobicContact CB-CB 4.16Å; K111-E114 WeakPolarHBondContact CD-OE2 3.3Å; K111-E114 IonicContact NZ-OE1 3.33Å; K111-E114 IonicContact NZ-OE2 3.9Å; K111-E114 PolarHBondContact NZ-OE2 2.76Å; K111-E114 PolarHBondContact O-N 2.95Å; E114-Q287 PolarHBondContact O-NE2 3.36Å |
| 115 | A | 89.4 | Confident | 93.4 | Very high | 11 Ų | 11 | 26.3 Ų | 26.3 | 9% | 0.091 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -75.7 | -41.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | W85 K111 A112 F113 | W85-A115 HydrophobicContact CH2-CB 3.66Å; W85-A115 HydrophobicContact CZ2-CB 4.41Å; K111-A115 PolarHBondContact O-N 3.26Å; A112-A115 PolarHBondContact O-N 3.3Å; F113-A115 PolarHBondContact O-N 2.97Å |
| 116 | L | 93.4 | Very high | 93.4 | Very high | 4 Ų | 4 | 28.2 Ų | 28.2 | 2% | 0.021 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -98.5 | -16.1 | -170.2 | -66.5 | 174.2 | 0 | 0 | 0 | 113.9 | L52 M54 Y76 Y79 W85 V107 A112 F113 F118 E119 I146 F283 | L52-L116 HydrophobicContact CD1-CD1 4.49Å; L52-L116 HydrophobicContact CD2-CB 4.28Å; L52-L116 HydrophobicContact CD2-CD1 4.11Å; M54-L116 HydrophobicContact CE-CD1 4.45Å; M54-L116 HydrophobicContact SD-CD1 3.75Å; Y76-L116 HydrophobicContact CD1-CD2 4.28Å; Y76-L116 HydrophobicContact CE1-CD2 4.4Å; Y79-L116 HydrophobicContact CD1-CD2 4.37Å; Y79-L116 HydrophobicContact CE1-CD2 4.4Å; W85-L116 HydrophobicContact CE3-CD1 4.43Å; W85-L116 HydrophobicContact CZ3-CD1 3.82Å; W85-L116 HydrophobicContact CZ3-CG 4.13Å; V107-L116 HydrophobicContact CG1-CD1 4.42Å; A112-L116 PolarHBondContact O-N 3.49Å; A112-L116 VanDerWaalsContact O-N 3.08Å; F113-L116 PolarHBondContact O-N 3.28Å; L116-F118 PolarHBondContact O-N 3.37Å; L116-E119 HydrophobicContact CD2-CG 4.23Å; L116-E119 VanDerWaalsContact O-CB 3.29Å; L116-E119 WeakPolarHBondContact O-CB 3.41Å; L116-E119 PolarHBondContact O-N 2.89Å; L116-I146 HydrophobicContact CB-CD1 4.49Å; L116-I146 WeakPolarHBondContact O-CD1 3.33Å; L116-F283 HydrophobicContact CD2-CD2 4.27Å; L116-F283 HydrophobicContact CD2-CE2 3.5Å; L116-F283 VanDerWaalsContact CD2-CE2 3.5Å; L116-F283 HydrophobicContact CD2-CZ 3.69Å |
| 117 | Q | 90.8 | Very high | 93.4 | Very high | 40 Ų | 40 | 29.4 Ų | 29.4 | 19% | 0.187 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -52.5 | -26.7 | -174.6 | 61.5 | 177.8 | -44.5 | 0 | 0 | 114.7 | D47 F113 E119 | D47-Q117 PolarHBondContact OD1-NE2 2.89Å; F113-Q117 HydrophobicContact CD1-CB 4.19Å; F113-Q117 HydrophobicContact CE1-CB 3.83Å; F113-Q117 HydrophobicContact CE2-CB 4.24Å; F113-Q117 HydrophobicContact CZ-CB 3.87Å; F113-Q117 WeakPolarHBondContact O-CB 3.38Å; F113-Q117 WeakPolarHBondContact O-CG 3.48Å; F113-Q117 PolarHBondContact O-N 2.83Å; Q117-E119 VanDerWaalsContact C-N 3.32Å |
| 118 | F | 92.3 | Very high | 93.2 | Very high | 38 Ų | 38 | 32.5 Ų | 32.5 | 17% | 0.167 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -85.7 | 0.3 | 179.8 | -50.8 | -65.1 | 0 | 0 | 0 | 113.9 | L116 G120 R261 L286 Q287 S290 | L116-F118 PolarHBondContact O-N 3.37Å; F118-G120 VanDerWaalsContact C-N 3.31Å; F118-R261 VanDerWaalsContact O-CZ 3.23Å; F118-R261 PolarHBondContact O-NH1 3.36Å; F118-R261 PolarHBondContact O-NH2 2.98Å; F118-L286 HydrophobicContact CB-CB 4.02Å; F118-L286 HydrophobicContact CB-CD1 3.97Å; F118-L286 HydrophobicContact CB-CG 4.48Å; F118-L286 HydrophobicContact CD2-CB 4.27Å; F118-L286 HydrophobicContact CG-CB 4.31Å; F118-Q287 HydrophobicContact CD2-CG 4.27Å; F118-Q287 HydrophobicContact CE2-CG 3.92Å; F118-S290 VanDerWaalsContact CE1-OG 3.26Å; F118-S290 WeakPolarHBondContact CE1-OG 3.48Å; F118-S290 WeakPolarHBondContact CZ-OG 3.4Å |
| 119 | E | 94.6 | Very high | 93 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -83.3 | -11 | 178.4 | -67.7 | -62.7 | 106.7 | 0 | 0 | 112.9 | Y76 L116 Q117 G121 H123 I146 R248 F283 L286 | Y76-E119 HydrophobicContact CE1-CB 4.31Å; Y76-E119 HydrophobicContact CE1-CG 4.03Å; Y76-E119 PolarHBondContact OH-OE2 3.1Å; L116-E119 HydrophobicContact CD2-CG 4.23Å; L116-E119 VanDerWaalsContact O-CB 3.29Å; L116-E119 WeakPolarHBondContact O-CB 3.41Å; L116-E119 PolarHBondContact O-N 2.89Å; Q117-E119 VanDerWaalsContact C-N 3.32Å; E119-G121 PolarHBondContact O-N 3.32Å; E119-H123 PolarHBondContact O-NE2 2.92Å; E119-H123 IonicContact OE2-CE1 3.72Å; E119-I146 HydrophobicContact CB-CD1 3.44Å; E119-I146 VanDerWaalsContact CB-CD1 3.44Å; E119-R248 VanDerWaalsContact CD-NH1 3.3Å; E119-R248 IonicContact OE1-CZ 3.32Å; E119-R248 IonicContact OE1-NH1 3.1Å; E119-R248 PolarHBondContact OE1-NH1 3.25Å; E119-R248 VanDerWaalsContact OE1-NH1 3.16Å; E119-R248 IonicContact OE1-NH2 2.63Å; E119-R248 PolarHBondContact OE1-NH2 3.44Å; E119-R248 IonicContact OE2-CZ 3.36Å; E119-R248 IonicContact OE2-NH1 2.69Å; E119-R248 PolarHBondContact OE2-NH1 3.28Å; E119-R248 IonicContact OE2-NH2 3.57Å; E119-F283 HydrophobicContact CG-CD1 4.27Å; E119-F283 HydrophobicContact CG-CE1 3.62Å; E119-F283 HydrophobicContact CG-CZ 4.01Å; E119-F283 VanDerWaalsContact OE1-CE1 3.31Å; E119-F283 WeakPolarHBondContact OE1-CE1 3.41Å; E119-L286 VanDerWaalsContact OE1-CD1 3.31Å; E119-L286 WeakPolarHBondContact OE1-CD1 3.42Å |
| 120 | G | 94.1 | Very high | 92.7 | Very high | 15 Ų | 15 | 37 Ų | 37 | 16% | 0.155 | 18% | 0.182 | C | C | . | . | trans | -62.6 | 122.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | F118 V144 I247 | F118-G120 VanDerWaalsContact C-N 3.31Å; G120-V144 CarbonylContact C-O 3.53Å; G120-V144 WeakPolarHBondContact CA-O 3.27Å; G120-I247 WeakPolarHBondContact O-CD1 3.38Å | ||
| 121 | G | 95.4 | Very high | 92.4 | Very high | 5 Ų | 5 | 33 Ų | 33 | 5% | 0.052 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 151.4 | -172.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | E119 H123 T143 V144 Q237 | E119-G121 PolarHBondContact O-N 3.32Å; G121-H123 PolarHBondContact O-CD2 3.37Å; G121-T143 WeakPolarHBondContact O-CA 3.5Å; G121-V144 PolarHBondContact N-O 3.02Å; G121-V144 PolarHBondContact O-N 2.84Å; G121-Q237 WeakPolarHBondContact CA-O 3.31Å |
| 122 | V | 97 | Very high | 92.2 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.012 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 125.4 | 175.1 | -172.4 | 0 | 0 | 0 | 0 | 110.6 | T141 T143 E245 K246 I247 | V122-T141 HydrophobicContact CG1-CG2 4.28Å; V122-T143 HydrophobicContact CG1-CG2 4.44Å; V122-T143 HydrophobicContact CG2-CG2 4.08Å; V122-E245 WeakPolarHBondContact CB-O 3.27Å; V122-E245 HydrophobicContact CG2-CB 4Å; V122-K246 CarbonylContact O-C 3.49Å; V122-K246 VanDerWaalsContact O-CA 3.28Å; V122-K246 WeakPolarHBondContact O-CA 3.44Å; V122-I247 VanDerWaalsContact O-CG1 3.29Å; V122-I247 WeakPolarHBondContact O-CG1 3.29Å; V122-I247 PolarHBondContact O-N 3.02Å |
| 123 | H | 97.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 140.1 | 174.6 | -66 | -113.7 | 0 | 0 | 0 | 109 | F68 L72 E119 G121 T141 A142 R248 Y250 | F68-H123 HydrophobicContact CE1-CB 3.95Å; F68-H123 HydrophobicContact CZ-CB 4.07Å; L72-H123 HydrophobicContact CD1-CB 3.93Å; E119-H123 PolarHBondContact O-NE2 2.92Å; E119-H123 IonicContact OE2-CE1 3.72Å; G121-H123 PolarHBondContact O-CD2 3.37Å; H123-T141 CarbonylContact O-C 3.46Å; H123-T141 WeakPolarHBondContact O-CA 3.24Å; H123-T141 WeakPolarHBondContact O-CB 3.43Å; H123-A142 PolarHBondContact N-O 3.05Å; H123-A142 PolarHBondContact O-N 2.91Å; H123-A142 VanDerWaalsContact O-O 3.06Å; H123-R248 PolarHBondContact CE1-NH1 3.47Å; H123-R248 VanDerWaalsContact CE1-NH1 3.28Å; H123-Y250 HydrophobicContact CB-CE2 4.11Å; H123-Y250 AromaticContact ND1-CE2 3.57Å; H123-Y250 AromaticContact ND1-CZ 3.96Å; H123-Y250 PolarHBondContact ND1-OH 3.42Å |
| 124 | R | 97.2 | Very high | 91.5 | Very high | 44 Ų | 44 | 37.7 Ų | 37.7 | 17% | 0.166 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 136 | -179.9 | -174.7 | -176.5 | 83.1 | 174.3 | 5.3 | 110.4 | Q126 T139 S140 T141 K246 R248 T249 Y250 | R124-Q126 VanDerWaalsContact NH2-CD 3.31Å; R124-T139 HydrophobicContact CG-CG2 3.65Å; R124-S140 CarbonylContact C-O 3.53Å; R124-S140 WeakPolarHBondContact CA-O 3.43Å; R124-S140 WeakPolarHBondContact CG-O 2.97Å; R124-T141 HydrophobicContact CB-CG2 4.33Å; R124-T141 HydrophobicContact CG-CG2 4.24Å; R124-K246 HydrophobicContact CB-CB 4.23Å; R124-K246 HydrophobicContact CB-CD 4.28Å; R124-R248 PolarHBondContact N-O 2.6Å; R124-T249 PolarHBondContact NE-OG1 3.16Å; R124-T249 PolarHBondContact NH2-OG1 2.93Å; R124-T249 CarbonylContact O-C 3.56Å; R124-T249 VanDerWaalsContact O-CA 3.27Å; R124-T249 WeakPolarHBondContact O-CA 3.17Å; R124-Y250 PolarHBondContact O-N 3.47Å |
| 125 | V | 97.1 | Very high | 91.5 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 142.3 | 169.9 | 67.7 | 0 | 0 | 0 | 0 | 111.1 | F68 R127 T139 S140 Y250 F252 | F68-V125 HydrophobicContact CB-CG1 3.78Å; F68-V125 HydrophobicContact CD1-CB 3.96Å; F68-V125 HydrophobicContact CD1-CG1 3.66Å; F68-V125 HydrophobicContact CD2-CB 3.65Å; F68-V125 HydrophobicContact CD2-CG1 3.77Å; F68-V125 HydrophobicContact CD2-CG2 4.1Å; F68-V125 HydrophobicContact CE1-CB 3.99Å; F68-V125 HydrophobicContact CE1-CG1 4.18Å; F68-V125 HydrophobicContact CE2-CB 3.7Å; F68-V125 HydrophobicContact CE2-CG1 4.29Å; F68-V125 HydrophobicContact CE2-CG2 4.2Å; F68-V125 HydrophobicContact CG-CB 3.8Å; F68-V125 HydrophobicContact CG-CG1 3.43Å; F68-V125 VanDerWaalsContact CG-CG1 3.43Å; F68-V125 HydrophobicContact CZ-CB 3.87Å; F68-V125 HydrophobicContact CZ-CG1 4.48Å; V125-R127 HydrophobicContact CG2-CB 4.45Å; V125-R127 HydrophobicContact CG2-CG 3.98Å; V125-T139 WeakPolarHBondContact O-CA 3.4Å; V125-S140 PolarHBondContact N-O 3.03Å; V125-S140 PolarHBondContact O-N 3.38Å; V125-Y250 CarbonylContact C-O 3.59Å; V125-Y250 WeakPolarHBondContact CA-O 3.49Å; V125-F252 HydrophobicContact CG2-CD2 3.92Å; V125-F252 HydrophobicContact CG2-CE2 3.65Å |
| 126 | Q | 96.2 | Very high | 91.6 | Very high | 40 Ų | 40 | 44.2 Ų | 44.2 | 19% | 0.187 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 105.9 | 171.5 | -60.5 | -174.6 | -78.2 | 0 | 0 | 108.8 | R124 I137 H138 T139 T249 Y250 F252 P253 | R124-Q126 VanDerWaalsContact NH2-CD 3.31Å; Q126-I137 HydrophobicContact CB-CG2 4.38Å; Q126-H138 WeakPolarHBondContact CA-O 3.44Å; Q126-T139 HydrophobicContact CG-CG2 4.04Å; Q126-T139 PolarHBondContact NE2-OG1 3.11Å; Q126-T249 HydrophobicContact CG-CG2 4.48Å; Q126-Y250 PolarHBondContact N-O 2.84Å; Q126-F252 PolarHBondContact O-N 2.95Å; Q126-P253 WeakPolarHBondContact O-CD 3.34Å |
| 127 | R | 95.5 | Very high | 91.5 | Very high | 30 Ų | 30 | 48.5 Ų | 48.5 | 11% | 0.113 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 170.9 | 179.2 | 68.4 | -176.1 | 177.8 | -168.5 | -2.2 | 110.9 | E64 D71 V125 P129 H138 F252 | E64-R127 IonicContact OE1-CZ 2.69Å; E64-R127 IonicContact OE1-NE 3.02Å; E64-R127 PolarHBondContact OE1-NE 3.23Å; E64-R127 IonicContact OE1-NH2 3.62Å; E64-R127 PolarHBondContact OE1-NH2 3.36Å; D71-R127 IonicContact OD2-CZ 2.84Å; D71-R127 IonicContact OD2-NH1 3.59Å; D71-R127 PolarHBondContact OD2-NH1 2.92Å; D71-R127 IonicContact OD2-NH2 3.37Å; D71-R127 PolarHBondContact OD2-NH2 2.99Å; V125-R127 HydrophobicContact CG2-CB 4.45Å; V125-R127 HydrophobicContact CG2-CG 3.98Å; R127-P129 VanDerWaalsContact O-CD 3.29Å; R127-P129 WeakPolarHBondContact O-CD 3.43Å; R127-H138 PolarHBondContact N-O 3.38Å; R127-H138 PolarHBondContact O-N 3.02Å; R127-F252 HydrophobicContact CB-CB 3.77Å; R127-F252 HydrophobicContact CB-CD1 4.47Å; R127-F252 HydrophobicContact CB-CD2 3.6Å; R127-F252 HydrophobicContact CB-CE2 4.29Å; R127-F252 HydrophobicContact CB-CG 3.69Å; R127-F252 HydrophobicContact CG-CD2 4.26Å; R127-F252 HydrophobicContact CG-CE2 4.49Å |
| 128 | V | 93.2 | Very high | 91.5 | Very high | 66 Ų | 66 | 49.8 Ų | 49.8 | 40% | 0.4 | 29% | 0.285 | S | S | . | . | trans | -75.7 | 116.1 | 166.9 | 179.5 | 0 | 0 | 0 | 0 | 107.7 | G135 I137 | V128-G135 WeakPolarHBondContact CG2-O 3.48Å; V128-I137 HydrophobicContact CG2-CG1 4.02Å | ||
| 129 | P | 88.9 | Confident | 91.6 | Very high | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.013 | 29% | 0.285 | C | S | . | . | trans | -60.2 | 148.1 | 176 | -25.3 | 36.7 | 0 | 0 | 0 | 111.6 | E64 R127 T131 E132 R136 H138 | E64-P129 HydrophobicContact CB-CB 4.35Å; E64-P129 HydrophobicContact CB-CG 4.33Å; E64-P129 HydrophobicContact CG-CB 4.18Å; E64-P129 HydrophobicContact CG-CG 3.99Å; E64-P129 WeakPolarHBondContact OE2-CA 3.47Å; E64-P129 VanDerWaalsContact OE2-CB 3.27Å; E64-P129 WeakPolarHBondContact OE2-CB 3.23Å; R127-P129 VanDerWaalsContact O-CD 3.29Å; R127-P129 WeakPolarHBondContact O-CD 3.43Å; P129-T131 PolarHBondContact O-N 3.42Å; P129-E132 HydrophobicContact CB-CB 4.03Å; P129-E132 HydrophobicContact CG-CB 4.11Å; P129-E132 PolarHBondContact O-N 3.43Å; P129-E132 VanDerWaalsContact O-N 3.07Å; P129-R136 WeakPolarHBondContact CD-O 3.18Å; P129-H138 HydrophobicContact CG-CB 3.6Å | ||
| 130 | I | 86.3 | Confident | 91.7 | Very high | 150 Ų | 150 | 49.4 Ų | 49.4 | 77% | 0.769 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -28.8 | 171.5 | -56.8 | 171.6 | 0 | 0 | 0 | 110.5 | ||
| 131 | T | 83.3 | Confident | 91.8 | Very high | 69 Ų | 69 | 48.7 Ų | 48.7 | 42% | 0.423 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -10.7 | 179.6 | 60.3 | 0 | 0 | 0 | 0 | 114.4 | L67 L97 P129 | L67-T131 HydrophobicContact CD1-CG2 4.44Å; L97-T131 HydrophobicContact CD1-CG2 3.39Å; P129-T131 PolarHBondContact O-N 3.42Å |
| 132 | E | 83.2 | Confident | 91.9 | Very high | 43 Ų | 43 | 48.5 Ų | 48.5 | 20% | 0.201 | 28% | 0.276 | C | S | . | . | trans | -95.5 | 111.7 | -172.6 | -175.2 | 63.1 | -171.5 | 0 | 0 | 111.6 | P129 A134 R136 H138 | P129-E132 HydrophobicContact CB-CB 4.03Å; P129-E132 HydrophobicContact CG-CB 4.11Å; P129-E132 PolarHBondContact O-N 3.43Å; P129-E132 VanDerWaalsContact O-N 3.07Å; E132-A134 PolarHBondContact O-N 2.86Å; E132-R136 HydrophobicContact CG-CB 4.26Å; E132-R136 IonicContact OE1-CZ 3.58Å; E132-R136 IonicContact OE1-NE 3.46Å; E132-R136 PolarHBondContact OE1-NE 3.28Å; E132-R136 IonicContact OE1-NH2 2.71Å; E132-R136 PolarHBondContact OE1-NH2 3.06Å; E132-H138 IonicContact OE1-NE2 3.26Å; E132-H138 IonicContact OE2-CE1 3.63Å; E132-H138 PolarHBondContact OE2-CE1 3.35Å; E132-H138 IonicContact OE2-NE2 2.95Å | ||
| 133 | A | 81.5 | Confident | 91.9 | Very high | 110 Ų | 110 | 48.6 Ų | 48.6 | 91% | 0.909 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -29.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | G135 | A133-G135 VanDerWaalsContact C-N 3.32Å; A133-G135 PolarHBondContact O-N 3.33Å |
| 134 | A | 86.3 | Confident | 91.9 | Very high | 66 Ų | 66 | 48.6 Ų | 48.6 | 55% | 0.545 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 0.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | E132 R136 | E132-A134 PolarHBondContact O-N 2.86Å; A134-R136 HydrophobicContact CB-CG 4.24Å; A134-R136 PolarHBondContact O-N 3.42Å |
| 135 | G | 88.2 | Confident | 91.8 | Very high | 45 Ų | 45 | 46.6 Ų | 46.6 | 46% | 0.464 | 27% | 0.269 | S | S | . | . | trans | 69.6 | 18.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | V128 A133 | V128-G135 WeakPolarHBondContact CG2-O 3.48Å; A133-G135 VanDerWaalsContact C-N 3.32Å; A133-G135 PolarHBondContact O-N 3.33Å | ||
| 136 | R | 91 | Very high | 91.7 | Very high | 157 Ų | 157 | 46.8 Ų | 46.8 | 59% | 0.592 | 27% | 0.27 | S | S | * | . | trans | -78.9 | 136.5 | -179.3 | -70.3 | -178.5 | -71.2 | -164.1 | -4.9 | 110.9 | P129 E132 A134 H138 | P129-R136 WeakPolarHBondContact CD-O 3.18Å; E132-R136 HydrophobicContact CG-CB 4.26Å; E132-R136 IonicContact OE1-CZ 3.58Å; E132-R136 IonicContact OE1-NE 3.46Å; E132-R136 PolarHBondContact OE1-NE 3.28Å; E132-R136 IonicContact OE1-NH2 2.71Å; E132-R136 PolarHBondContact OE1-NH2 3.06Å; A134-R136 HydrophobicContact CB-CG 4.24Å; A134-R136 PolarHBondContact O-N 3.42Å; R136-H138 PolarHBondContact O-CD2 3.15Å; R136-H138 PolarHBondContact O-N 2.99Å | ||
| 137 | I | 91.8 | Very high | 91.4 | Very high | 94 Ų | 94 | 45.2 Ų | 45.2 | 48% | 0.482 | 26% | 0.263 | S | S | . | . | trans | -73.4 | 121.3 | 175.9 | -64.3 | 159.9 | 0 | 0 | 0 | 108.8 | Q126 V128 P253 | Q126-I137 HydrophobicContact CB-CG2 4.38Å; V128-I137 HydrophobicContact CG2-CG1 4.02Å; I137-P253 HydrophobicContact CD1-CB 4.39Å; I137-P253 HydrophobicContact CD1-CG 3.51Å; I137-P253 HydrophobicContact CG1-CG 4.17Å | ||
| 138 | H | 91.5 | Very high | 91.1 | Very high | 68 Ų | 68 | 46 Ų | 46 | 32% | 0.315 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 156.7 | 173.7 | -67.6 | -172.2 | 0 | 0 | 0 | 110.1 | Q126 R127 P129 E132 R136 | Q126-H138 WeakPolarHBondContact CA-O 3.44Å; R127-H138 PolarHBondContact N-O 3.38Å; R127-H138 PolarHBondContact O-N 3.02Å; P129-H138 HydrophobicContact CG-CB 3.6Å; E132-H138 IonicContact OE1-NE2 3.26Å; E132-H138 IonicContact OE2-CE1 3.63Å; E132-H138 PolarHBondContact OE2-CE1 3.35Å; E132-H138 IonicContact OE2-NE2 2.95Å; R136-H138 PolarHBondContact O-CD2 3.15Å; R136-H138 PolarHBondContact O-N 2.99Å |
| 139 | T | 94 | Very high | 90.7 | Very high | 28 Ų | 28 | 45.7 Ų | 45.7 | 17% | 0.172 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 120.5 | 175.4 | -59.9 | 0 | 0 | 0 | 0 | 109.5 | R124 V125 Q126 R243 | R124-T139 HydrophobicContact CG-CG2 3.65Å; V125-T139 WeakPolarHBondContact O-CA 3.4Å; Q126-T139 HydrophobicContact CG-CG2 4.04Å; Q126-T139 PolarHBondContact NE2-OG1 3.11Å; T139-R243 PolarHBondContact O-NH2 2.92Å |
| 140 | S | 95.1 | Very high | 89.9 | Confident | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 158.5 | -178.7 | -62 | 0 | 0 | 0 | 0 | 110.9 | V60 E64 R124 V125 | V60-S140 CarbonylContact O-C 3.58Å; V60-S140 VanDerWaalsContact O-CA 3.24Å; V60-S140 WeakPolarHBondContact O-CA 3.49Å; E64-S140 WeakPolarHBondContact CB-OG 3.43Å; E64-S140 WeakPolarHBondContact CG-OG 3.48Å; R124-S140 CarbonylContact C-O 3.53Å; R124-S140 WeakPolarHBondContact CA-O 3.43Å; R124-S140 WeakPolarHBondContact CG-O 2.97Å; V125-S140 PolarHBondContact N-O 3.03Å; V125-S140 PolarHBondContact O-N 3.38Å |
| 141 | T | 96.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 151.2 | 178.2 | 63.8 | 0 | 0 | 0 | 0 | 111.7 | G59 V60 S65 V122 H123 R124 A241 R243 | G59-T141 CarbonylContact C-O 3.52Å; G59-T141 WeakPolarHBondContact CA-O 3.21Å; G59-T141 PolarHBondContact N-O 3.19Å; V60-T141 PolarHBondContact N-OG1 3.19Å; V60-T141 PolarHBondContact O-N 3.47Å; S65-T141 WeakPolarHBondContact CB-O 3.26Å; V122-T141 HydrophobicContact CG1-CG2 4.28Å; H123-T141 CarbonylContact O-C 3.46Å; H123-T141 WeakPolarHBondContact O-CA 3.24Å; H123-T141 WeakPolarHBondContact O-CB 3.43Å; R124-T141 HydrophobicContact CB-CG2 4.33Å; R124-T141 HydrophobicContact CG-CG2 4.24Å; T141-A241 PolarHBondContact OG1-O 3.07Å; T141-R243 HydrophobicContact CG2-CG 3.82Å |
| 142 | A | 97.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 155.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | S57 F68 A69 L72 H123 | S57-A142 CarbonylContact O-C 3.5Å; S57-A142 VanDerWaalsContact O-CA 3.29Å; S57-A142 WeakPolarHBondContact O-CA 3.36Å; F68-A142 HydrophobicContact CD1-CB 3.59Å; F68-A142 HydrophobicContact CE1-CB 3.87Å; A69-A142 HydrophobicContact CB-CB 4.29Å; L72-A142 HydrophobicContact CD1-CB 3.72Å; H123-A142 PolarHBondContact N-O 3.05Å; H123-A142 PolarHBondContact O-N 2.91Å; H123-A142 VanDerWaalsContact O-O 3.06Å |
| 143 | T | 97 | Very high | 87.2 | Confident | 5 Ų | 5 | 54.6 Ų | 54.6 | 3% | 0.031 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 139.7 | 179.2 | 60.3 | 0 | 0 | 0 | 0 | 109.4 | V56 S57 G121 V122 V238 A241 | V56-T143 CarbonylContact C-O 3.46Å; V56-T143 WeakPolarHBondContact CA-O 3.37Å; S57-T143 PolarHBondContact N-O 3.45Å; S57-T143 PolarHBondContact O-N 3.37Å; G121-T143 WeakPolarHBondContact O-CA 3.5Å; V122-T143 HydrophobicContact CG1-CG2 4.44Å; V122-T143 HydrophobicContact CG2-CG2 4.08Å; T143-V238 HydrophobicContact CG2-CG1 4.01Å; T143-A241 HydrophobicContact CG2-CB 3.49Å; T143-A241 VanDerWaalsContact CG2-CB 3.49Å |
| 144 | V | 97.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 131.5 | 173 | -177.7 | 0 | 0 | 0 | 0 | 106.9 | M54 E55 V56 L72 Y76 G120 G121 I146 | M54-V144 HydrophobicContact CE-CG1 4.09Å; E55-V144 CarbonylContact O-C 3.58Å; E55-V144 VanDerWaalsContact O-CA 3.27Å; E55-V144 WeakPolarHBondContact O-CA 3.42Å; V56-V144 HydrophobicContact CG2-CG2 4.28Å; L72-V144 HydrophobicContact CD1-CG2 4.12Å; Y76-V144 HydrophobicContact CE2-CG1 4.14Å; Y76-V144 HydrophobicContact CE2-CG2 4Å; G120-V144 CarbonylContact C-O 3.53Å; G120-V144 WeakPolarHBondContact CA-O 3.27Å; G121-V144 PolarHBondContact N-O 3.02Å; G121-V144 PolarHBondContact O-N 2.84Å; V144-I146 HydrophobicContact CG1-CD1 4.11Å; V144-I146 HydrophobicContact CG1-CG1 4.06Å |
| 145 | A | 95.9 | Very high | 85.7 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.008 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 140.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | M54 E55 F147 Q237 V238 | M54-A145 WeakPolarHBondContact CA-O 3.42Å; E55-A145 HydrophobicContact CB-CB 4.31Å; E55-A145 PolarHBondContact N-O 3.14Å; E55-A145 PolarHBondContact O-N 3.39Å; A145-F147 HydrophobicContact CB-CE2 3.77Å; A145-F147 HydrophobicContact CB-CZ 3.62Å; A145-Q237 HydrophobicContact CB-CB 4.37Å; A145-V238 HydrophobicContact CB-CG2 3.93Å |
| 146 | I | 94.5 | Very high | 85.3 | Confident | 6 Ų | 6 | 59 Ų | 59 | 3% | 0.031 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 130.9 | -168.7 | -53.2 | -174.6 | 0 | 0 | 0 | 109.1 | L52 L53 M54 F113 L116 E119 V144 Q237 | L52-I146 HydrophobicContact CD1-CG2 4.15Å; L53-I146 WeakPolarHBondContact O-CA 3.26Å; M54-I146 HydrophobicContact CE-CD1 4.03Å; M54-I146 HydrophobicContact CG-CD1 4.41Å; M54-I146 HydrophobicContact CG-CG1 4.11Å; F113-I146 HydrophobicContact CD2-CG2 4.44Å; F113-I146 HydrophobicContact CE2-CG2 4.19Å; L116-I146 HydrophobicContact CB-CD1 4.49Å; L116-I146 WeakPolarHBondContact O-CD1 3.33Å; E119-I146 HydrophobicContact CB-CD1 3.44Å; E119-I146 VanDerWaalsContact CB-CD1 3.44Å; V144-I146 HydrophobicContact CG1-CD1 4.11Å; V144-I146 HydrophobicContact CG1-CG1 4.06Å; I146-Q237 PolarHBondContact O-NE2 3.09Å |
| 147 | F | 91.1 | Very high | 84.8 | Confident | 7 Ų | 7 | 52.9 Ų | 52.9 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 141.3 | -176.9 | -46.9 | -78.5 | 0 | 0 | 0 | 109.6 | L52 L53 A145 F230 T233 R234 | L52-F147 CarbonylContact C-O 3.52Å; L52-F147 VanDerWaalsContact CA-O 3.31Å; L52-F147 WeakPolarHBondContact CA-O 3.5Å; L52-F147 WeakPolarHBondContact CB-O 3.44Å; L53-F147 HydrophobicContact CB-CB 4.32Å; L53-F147 HydrophobicContact CB-CD2 4.37Å; L53-F147 PolarHBondContact N-O 2.98Å; L53-F147 PolarHBondContact O-N 3.35Å; A145-F147 HydrophobicContact CB-CE2 3.77Å; A145-F147 HydrophobicContact CB-CZ 3.62Å; F147-F230 HydrophobicContact CB-CE2 3.96Å; F147-F230 HydrophobicContact CD1-CD2 4.02Å; F147-F230 AromaticContact CD1-CE2 3.67Å; F147-F230 HydrophobicContact CD1-CE2 3.67Å; F147-F230 HydrophobicContact CD1-CZ 4.27Å; F147-F230 AromaticContact CD2-CE2 3.61Å; F147-F230 HydrophobicContact CD2-CE2 3.61Å; F147-F230 AromaticContact CD2-CZ 3.75Å; F147-F230 HydrophobicContact CD2-CZ 3.75Å; F147-F230 HydrophobicContact CE1-CD2 4.41Å; F147-F230 HydrophobicContact CE1-CE2 4.05Å; F147-F230 HydrophobicContact CE1-CZ 4.24Å; F147-F230 AromaticContact CE2-CE2 3.99Å; F147-F230 HydrophobicContact CE2-CE2 3.99Å; F147-F230 AromaticContact CE2-CZ 3.71Å; F147-F230 HydrophobicContact CE2-CZ 3.71Å; F147-F230 HydrophobicContact CG-CD2 4.17Å; F147-F230 AromaticContact CG-CE2 3.43Å; F147-F230 HydrophobicContact CG-CE2 3.43Å; F147-F230 VanDerWaalsContact CG-CE2 3.43Å; F147-F230 HydrophobicContact CG-CZ 4.04Å; F147-F230 HydrophobicContact CZ-CE1 4.5Å; F147-F230 HydrophobicContact CZ-CE2 4.2Å; F147-F230 AromaticContact CZ-CZ 3.96Å; F147-F230 HydrophobicContact CZ-CZ 3.96Å; F147-T233 HydrophobicContact CD1-CG2 4.27Å; F147-T233 HydrophobicContact CE1-CG2 4.2Å; F147-R234 HydrophobicContact CE1-CB 3.81Å; F147-R234 HydrophobicContact CZ-CB 3.56Å; F147-R234 HydrophobicContact CZ-CG 3.84Å |
| 148 | P | 88.6 | Confident | 84.6 | Confident | 46 Ų | 46 | 51.6 Ų | 51.6 | 30% | 0.299 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 146.5 | 165.8 | 29.2 | -33.3 | 0 | 0 | 0 | 108.9 | C46 F113 P150 | C46-P148 HydrophobicContact CB-CB 4.18Å; F113-P148 HydrophobicContact CD2-CB 4.26Å; F113-P148 HydrophobicContact CE2-CB 3.97Å; F113-P148 HydrophobicContact CE2-CG 4.36Å; F113-P148 HydrophobicContact CZ-CB 4.3Å; F113-P148 HydrophobicContact CZ-CG 4.46Å; P148-P150 WeakPolarHBondContact O-CD 2.9Å |
| 149 | M | 84.3 | Confident | 84.4 | Confident | 60 Ų | 60 | 53.1 Ų | 53.1 | 30% | 0.296 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 125.4 | 178 | -171 | 66.3 | 165.6 | 0 | 0 | 110 | E51 L53 H151 | E51-M149 HydrophobicContact CB-CB 3.85Å; E51-M149 HydrophobicContact CB-CG 4.37Å; E51-M149 HydrophobicContact CG-CB 3.81Å; E51-M149 HydrophobicContact CG-CG 3.93Å; E51-M149 HydrophobicContact CG-SD 4.4Å; E51-M149 WeakPolarHBondContact O-CB 3.29Å; E51-M149 PolarHBondContact O-N 3Å; E51-M149 VanDerWaalsContact O-N 3.16Å; L53-M149 HydrophobicContact CD1-SD 4.06Å; L53-M149 HydrophobicContact CD2-SD 3.83Å; L53-M149 HydrophobicContact CG-SD 3.81Å; M149-H151 PolarHBondContact O-N 3.21Å |
| 150 | P | 73.3 | Confident | 84.2 | Confident | 65 Ų | 65 | 60.2 Ų | 60.2 | 42% | 0.422 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 120.5 | -178.3 | 26.7 | -32.9 | 0 | 0 | 0 | 111 | P148 R226 | P148-P150 WeakPolarHBondContact O-CD 2.9Å; P150-R226 VanDerWaalsContact CA-NH2 3.26Å |
| 151 | H | 70.9 | Confident | 84.1 | Confident | 135 Ų | 135 | 63.1 Ų | 63.1 | 63% | 0.625 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 134 | 166.6 | -62.2 | -52.2 | 0 | 0 | 0 | 111.7 | M149 S153 R226 | M149-H151 PolarHBondContact O-N 3.21Å; H151-S153 PolarHBondContact O-N 3.01Å; H151-S153 VanDerWaalsContact O-N 3.16Å; H151-R226 VanDerWaalsContact N-NH2 3.2Å; H151-R226 PolarHBondContact O-NH1 2.78Å; H151-R226 PolarHBondContact O-NH2 3.34Å |
| 152 | E | 63.2 | Low | 83.9 | Confident | 185 Ų | 185 | 63.9 Ų | 63.9 | 86% | 0.864 | 35% | 0.345 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 116.9 | 170.4 | -68.3 | -168.2 | 164.9 | 0 | 0 | 110 | ||
| 153 | S | 61.9 | Low | 83.7 | Confident | 65 Ų | 65 | 69.1 Ų | 69.1 | 46% | 0.455 | 37% | 0.367 | S | S | . | . | trans | -99 | 107.6 | 172.9 | 57.4 | 0 | 0 | 0 | 0 | 108.9 | H151 V155 | H151-S153 PolarHBondContact O-N 3.01Å; H151-S153 VanDerWaalsContact O-N 3.16Å; S153-V155 PolarHBondContact O-N 3Å | ||
| 154 | N | 65.9 | Low | 83.4 | Confident | 135 Ų | 135 | 71.6 Ų | 71.6 | 72% | 0.722 | 38% | 0.382 | S | S | * | . | trans | -69.1 | 121.5 | 168.6 | -78.7 | -33.8 | 0 | 0 | 0 | 109 | V156 | N154-V156 VanDerWaalsContact C-N 3.35Å; N154-V156 PolarHBondContact O-N 3.48Å | ||
| 155 | V | 71 | Confident | 83.2 | Confident | 47 Ų | 47 | 75 Ų | 75 | 29% | 0.285 | 40% | 0.399 | S | S | . | . | trans | -70.4 | 95 | 172.1 | -180 | 0 | 0 | 0 | 0 | 108.1 | S153 V157 L218 | S153-V155 PolarHBondContact O-N 3Å; V155-V157 HydrophobicContact CG1-CG2 4.07Å; V155-L218 HydrophobicContact CG1-CB 3.92Å | ||
| 156 | V | 78 | Confident | 82.9 | Confident | 132 Ų | 132 | 77.8 Ų | 77.8 | 80% | 0.8 | 42% | 0.416 | S | S | * | . | trans | -85.1 | 117.3 | 172.1 | -178 | 0 | 0 | 0 | 0 | 107.9 | N154 | N154-V156 VanDerWaalsContact C-N 3.35Å; N154-V156 PolarHBondContact O-N 3.48Å | ||
| 157 | V | 81.2 | Confident | 82.5 | Confident | 28 Ų | 28 | 79.8 Ų | 79.8 | 17% | 0.17 | 42% | 0.424 | C | S | . | . | trans | -100.3 | 113.2 | 176 | -168.4 | 0 | 0 | 0 | 0 | 108.7 | V155 I162 V215 L218 | V155-V157 HydrophobicContact CG1-CG2 4.07Å; V157-I162 HydrophobicContact CG1-CD1 3.66Å; V157-I162 HydrophobicContact CG1-CG1 4.05Å; V157-V215 HydrophobicContact CG2-CG2 4.01Å; V157-L218 HydrophobicContact CG1-CD1 4.27Å; V157-L218 HydrophobicContact CG2-CD1 3.57Å | ||
| 158 | D | 88.8 | Confident | 82.1 | Confident | 68 Ų | 68 | 86.6 Ų | 86.6 | 36% | 0.364 | 45% | 0.449 | S | S | . | . | trans | -72.6 | 127.7 | 173.7 | -169.7 | -31.6 | 0 | 0 | 0 | 109.3 | K160 D161 | D158-K160 PolarHBondContact O-N 3.42Å; D158-K160 VanDerWaalsContact O-N 3.08Å; D158-K160 WeakPolarHBondContact OD1-CB 3.29Å; D158-K160 WeakPolarHBondContact OD1-CG 3.33Å; D158-K160 PolarHBondContact OD1-N 3.23Å; D158-D161 PolarHBondContact O-N 3.46Å | ||
| 159 | P | 85.5 | Confident | 81.2 | Confident | 100 Ų | 100 | 85 Ų | 85 | 65% | 0.649 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -51.8 | -26.9 | 172.7 | -28 | 35.3 | 0 | 0 | 0 | 115 | D161 I162 | P159-D161 VanDerWaalsContact C-N 3.27Å; P159-D161 PolarHBondContact O-N 2.97Å; P159-I162 PolarHBondContact O-N 2.96Å |
| 160 | K | 90.7 | Very high | 80.5 | Confident | 177 Ų | 177 | 87 Ų | 87 | 77% | 0.77 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -67.2 | -26.6 | 178 | -67.6 | 174.8 | -177.5 | 171.8 | 0 | 113.3 | D158 I162 | D158-K160 PolarHBondContact O-N 3.42Å; D158-K160 VanDerWaalsContact O-N 3.08Å; D158-K160 WeakPolarHBondContact OD1-CB 3.29Å; D158-K160 WeakPolarHBondContact OD1-CG 3.33Å; D158-K160 PolarHBondContact OD1-N 3.23Å; K160-I162 PolarHBondContact O-N 3.1Å |
| 161 | D | 92.5 | Very high | 80.1 | Confident | 64 Ų | 64 | 87.3 Ų | 87.3 | 34% | 0.342 | 46% | 0.463 | S | S | . | . | G | 310 helix | trans | -82.7 | 2.7 | 180 | -68.7 | -26.1 | 0 | 0 | 0 | 112.8 | D158 P159 I189 P190 | D158-D161 PolarHBondContact O-N 3.46Å; P159-D161 VanDerWaalsContact C-N 3.27Å; P159-D161 PolarHBondContact O-N 2.97Å; D161-I189 WeakPolarHBondContact O-CG1 3.48Å; D161-I189 PolarHBondContact O-N 2.92Å; D161-P190 HydrophobicContact CB-CG 3.96Å |
| 162 | I | 92.6 | Very high | 80 | Confident | 15 Ų | 15 | 91.5 Ų | 91.5 | 8% | 0.077 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 112.9 | -174 | -52.5 | 175.9 | 0 | 0 | 0 | 110.2 | V157 P159 K160 V164 L186 H187 M211 L214 | V157-I162 HydrophobicContact CG1-CD1 3.66Å; V157-I162 HydrophobicContact CG1-CG1 4.05Å; P159-I162 PolarHBondContact O-N 2.96Å; K160-I162 PolarHBondContact O-N 3.1Å; I162-V164 HydrophobicContact CG2-CG2 4.38Å; I162-L186 HydrophobicContact CG2-CB 3.95Å; I162-L186 HydrophobicContact CG2-CD1 4.48Å; I162-L186 HydrophobicContact CG2-CD2 3.95Å; I162-L186 HydrophobicContact CG2-CG 4.35Å; I162-H187 WeakPolarHBondContact CA-O 3.47Å; I162-M211 HydrophobicContact CD1-CE 3.24Å; I162-M211 HydrophobicContact CD1-SD 3.37Å; I162-M211 WeakPolarHBondContact CD1-SD 3.4Å; I162-M211 HydrophobicContact CG2-CE 4.5Å; I162-L214 HydrophobicContact CD1-CD2 4Å; I162-L214 HydrophobicContact CG1-CD2 4.28Å; I162-L214 HydrophobicContact CG2-CD2 4.47Å |
| 163 | K | 92.7 | Very high | 79.8 | Confident | 110 Ų | 110 | 84 Ų | 84 | 48% | 0.478 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 123.4 | 167.5 | -166.4 | -172.6 | -176.4 | -154.5 | 0 | 109.4 | E165 L186 H187 | K163-E165 WeakPolarHBondContact CE-OE1 3.35Å; K163-E165 IonicContact NZ-OE1 2.75Å; K163-E165 PolarHBondContact NZ-OE1 2.87Å; K163-L186 CarbonylContact O-C 3.6Å; K163-L186 WeakPolarHBondContact O-CA 3.43Å; K163-H187 HydrophobicContact CB-CB 4.26Å; K163-H187 PolarHBondContact N-O 3.42Å; K163-H187 PolarHBondContact O-N 3.34Å |
| 164 | V | 92.6 | Very high | 79.9 | Confident | 57 Ų | 57 | 83.4 Ų | 83.4 | 35% | 0.345 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 123.9 | 178.5 | -171.6 | 0 | 0 | 0 | 0 | 109 | I162 V184 L186 | I162-V164 HydrophobicContact CG2-CG2 4.38Å; V164-V184 HydrophobicContact CG1-CG1 3.82Å; V164-L186 HydrophobicContact CB-CD2 4.14Å; V164-L186 HydrophobicContact CG1-CD2 3.88Å; V164-L186 HydrophobicContact CG2-CD2 3.7Å |
| 165 | E | 92.1 | Very high | 80 | Confident | 73 Ų | 73 | 84.3 Ų | 84.3 | 34% | 0.341 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 134.8 | 175.4 | -65.7 | 177.4 | 175 | 0 | 0 | 108.8 | K163 R185 | K163-E165 WeakPolarHBondContact CE-OE1 3.35Å; K163-E165 IonicContact NZ-OE1 2.75Å; K163-E165 PolarHBondContact NZ-OE1 2.87Å; E165-R185 HydrophobicContact CB-CB 4.34Å; E165-R185 PolarHBondContact N-O 3.42Å; E165-R185 PolarHBondContact O-N 2.87Å |
| 166 | T | 88.9 | Confident | 79.5 | Confident | 59 Ų | 59 | 87.9 Ų | 87.9 | 36% | 0.362 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 146.2 | 175.9 | 50.6 | 0 | 0 | 0 | 0 | 110.3 | A183 V184 Q203 | T166-A183 WeakPolarHBondContact CA-O 3.47Å; T166-V184 HydrophobicContact CG2-CG2 4.46Å; T166-Q203 HydrophobicContact CG2-CG 4.23Å |
| 167 | F | 87 | Confident | 78.6 | Confident | 48 Ų | 48 | 84.1 Ų | 84.1 | 21% | 0.211 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 170.6 | 178.1 | 61.7 | -80.4 | 0 | 0 | 0 | 111.2 | A183 R185 E196 | F167-A183 HydrophobicContact CD1-CB 4.17Å; F167-A183 HydrophobicContact CD2-CB 3.82Å; F167-A183 HydrophobicContact CE1-CB 3.94Å; F167-A183 HydrophobicContact CE2-CB 3.6Å; F167-A183 HydrophobicContact CG-CB 4.1Å; F167-A183 HydrophobicContact CZ-CB 3.68Å; F167-A183 PolarHBondContact N-O 3.38Å; F167-A183 VanDerWaalsContact O-CB 3.3Å; F167-A183 WeakPolarHBondContact O-CB 3.43Å; F167-A183 PolarHBondContact O-N 2.91Å; F167-R185 HydrophobicContact CD1-CB 4.22Å; F167-R185 HydrophobicContact CE1-CB 3.76Å; F167-E196 HydrophobicContact CE1-CB 4.37Å; F167-E196 HydrophobicContact CZ-CB 4.15Å |
| 168 | R | 82.8 | Confident | 77.8 | Confident | 149 Ų | 149 | 87 Ų | 87 | 56% | 0.562 | 47% | 0.465 | S | S | * | . | trans | -82.8 | 136 | 178.4 | -61.1 | -178 | -172.2 | 179.9 | 3.2 | 109.9 | S170 E181 | R168-S170 PolarHBondContact O-N 2.91Å; R168-E181 HydrophobicContact CG-CG 3.63Å; R168-E181 IonicContact NE-OE1 3.56Å; R168-E181 IonicContact NH2-OE1 3.82Å | ||
| 169 | S | 69.6 | Low | 76.8 | Confident | 14 Ų | 14 | 90.9 Ų | 90.9 | 10% | 0.098 | 48% | 0.478 | C | S | . | . | trans | -61.1 | 131.5 | 178.3 | 49.4 | 0 | 0 | 0 | 0 | 110.8 | S171 V177 | S169-S171 VanDerWaalsContact C-N 3.28Å; S169-S171 PolarHBondContact O-N 2.89Å; S169-V177 WeakPolarHBondContact OG-CG1 3.38Å; S169-V177 PolarHBondContact OG-O 3.07Å | ||
| 170 | S | 69.2 | Low | 76.3 | Confident | 102 Ų | 102 | 90.9 Ų | 90.9 | 71% | 0.713 | 47% | 0.472 | S | S | * | . | trans | -81.8 | -0.8 | -176.6 | 58.6 | 0 | 0 | 0 | 0 | 114.4 | R168 | R168-S170 PolarHBondContact O-N 2.91Š| ||
| 171 | S | 65.9 | Low | 75.7 | Confident | 70 Ų | 70 | 86.7 Ų | 86.7 | 49% | 0.49 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -70.7 | 149.9 | -176.8 | -63.5 | 0 | 0 | 0 | 0 | 112.4 | S169 G173 | S169-S171 VanDerWaalsContact C-N 3.28Å; S169-S171 PolarHBondContact O-N 2.89Å; S171-G173 PolarHBondContact O-N 2.85Å |
| 172 | K | 67.4 | Low | 75.2 | Confident | 224 Ų | 224 | 84.4 Ų | 84.4 | 97% | 0.974 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -66.2 | 55.5 | 174 | -63.3 | -175.9 | 179 | -179.2 | 0 | 112.3 | ||
| 173 | G | 59.8 | Low | 75 | Confident | 26 Ų | 26 | 83.7 Ų | 83.7 | 27% | 0.268 | 44% | 0.44 | S | S | . | . | trans | -94 | 159 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S171 | S171-G173 PolarHBondContact O-N 2.85Š| ||
| 174 | G | 63 | Low | 75 | Confident | 53 Ų | 53 | 78.4 Ų | 78.4 | 55% | 0.546 | 42% | 0.418 | S | S | . | . | trans | -64.8 | 178.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | N176 V177 | G174-N176 PolarHBondContact O-N 3Å; G174-V177 WeakPolarHBondContact O-CB 3.19Å; G174-V177 PolarHBondContact O-N 2.81Å | ||
| 175 | Q | 68.3 | Low | 75.1 | Confident | 155 Ų | 155 | 79.6 Ų | 79.6 | 72% | 0.724 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.1 | -34.8 | -169.9 | -67.2 | -174.9 | 8.8 | 0 | 0 | 115.4 | ||
| 176 | N | 60.5 | Low | 75.2 | Confident | 121 Ų | 121 | 76.1 Ų | 76.1 | 65% | 0.647 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -32.6 | 179.3 | -73.5 | -12.7 | 0 | 0 | 0 | 113.4 | G174 N178 K179 | G174-N176 PolarHBondContact O-N 3Å; N176-N178 VanDerWaalsContact C-N 3.28Å; N176-N178 PolarHBondContact O-N 2.76Å; N176-K179 PolarHBondContact O-N 3.33Å |
| 177 | V | 60.4 | Low | 75.5 | Confident | 53 Ų | 53 | 75.1 Ų | 75.1 | 32% | 0.321 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -33.9 | 179.6 | 179.2 | 0 | 0 | 0 | 0 | 110.7 | S169 G174 K179 | S169-V177 WeakPolarHBondContact OG-CG1 3.38Å; S169-V177 PolarHBondContact OG-O 3.07Å; G174-V177 WeakPolarHBondContact O-CB 3.19Å; G174-V177 PolarHBondContact O-N 2.81Å; V177-K179 PolarHBondContact O-N 3.37Å |
| 178 | N | 63.1 | Low | 75.9 | Confident | 89 Ų | 89 | 73.5 Ų | 73.5 | 48% | 0.476 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -13.8 | -179 | -64.2 | -24.7 | 0 | 0 | 0 | 113.9 | N176 | N176-N178 VanDerWaalsContact C-N 3.28Å; N176-N178 PolarHBondContact O-N 2.76Å |
| 179 | K | 67.9 | Low | 76.3 | Confident | 149 Ų | 149 | 71.3 Ų | 71.3 | 65% | 0.648 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -25.6 | -178 | -73.8 | -178.4 | -179.2 | 178.6 | 0 | 113.8 | N176 V177 | N176-K179 PolarHBondContact O-N 3.33Å; V177-K179 PolarHBondContact O-N 3.37Å |
| 180 | I | 75.9 | Confident | 77.4 | Confident | 101 Ų | 101 | 74.6 Ų | 74.6 | 52% | 0.518 | 40% | 0.403 | S | S | . | . | trans | -107.4 | 123.6 | -169.1 | -56.6 | 173.7 | 0 | 0 | 0 | 110.7 | S182 | I180-S182 PolarHBondContact O-N 2.93Š| ||
| 181 | E | 77.6 | Confident | 78.3 | Confident | 88 Ų | 88 | 72 Ų | 72 | 41% | 0.411 | 38% | 0.383 | S | S | . | . | trans | -78.5 | 62.9 | 175.1 | -71 | 176.5 | -168.5 | 0 | 0 | 111.6 | R168 | R168-E181 HydrophobicContact CG-CG 3.63Å; R168-E181 IonicContact NE-OE1 3.56Å; R168-E181 IonicContact NH2-OE1 3.82Å | ||
| 182 | S | 83 | Confident | 79.5 | Confident | 16 Ų | 16 | 70.7 Ų | 70.7 | 11% | 0.112 | 38% | 0.381 | C | S | . | . | trans | -81.2 | -20.3 | -178.6 | 58.8 | 0 | 0 | 0 | 0 | 113.7 | I180 N206 | I180-S182 PolarHBondContact O-N 2.93Å; S182-N206 PolarHBondContact O-ND2 2.87Å | ||
| 183 | A | 88.4 | Confident | 80.8 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 137.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | T166 F167 Q198 | T166-A183 WeakPolarHBondContact CA-O 3.47Å; F167-A183 HydrophobicContact CD1-CB 4.17Å; F167-A183 HydrophobicContact CD2-CB 3.82Å; F167-A183 HydrophobicContact CE1-CB 3.94Å; F167-A183 HydrophobicContact CE2-CB 3.6Å; F167-A183 HydrophobicContact CG-CB 4.1Å; F167-A183 HydrophobicContact CZ-CB 3.68Å; F167-A183 PolarHBondContact N-O 3.38Å; F167-A183 VanDerWaalsContact O-CB 3.3Å; F167-A183 WeakPolarHBondContact O-CB 3.43Å; F167-A183 PolarHBondContact O-N 2.91Å; A183-Q198 HydrophobicContact CB-CB 3.65Å |
| 184 | V | 92.5 | Very high | 82.4 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 133.9 | -176.8 | -179.1 | 0 | 0 | 0 | 0 | 109.8 | V164 T166 L186 E196 C197 Q203 N206 K207 | V164-V184 HydrophobicContact CG1-CG1 3.82Å; T166-V184 HydrophobicContact CG2-CG2 4.46Å; V184-L186 HydrophobicContact CG1-CD2 3.91Å; V184-L186 HydrophobicContact CG1-CG 4.38Å; V184-E196 CarbonylContact O-C 3.59Å; V184-E196 VanDerWaalsContact O-CA 3.29Å; V184-E196 WeakPolarHBondContact O-CA 3.44Å; V184-C197 PolarHBondContact N-O 3.23Å; V184-C197 PolarHBondContact O-N 3.41Å; V184-Q203 HydrophobicContact CG2-CG 3.69Å; V184-N206 HydrophobicContact CB-CB 4.33Å; V184-N206 HydrophobicContact CG2-CB 3.96Å; V184-K207 HydrophobicContact CG1-CB 4.26Å; V184-K207 HydrophobicContact CG1-CG 4.48Å; V184-K207 HydrophobicContact CG2-CB 4.36Å |
| 185 | R | 94.4 | Very high | 83.9 | Confident | 81 Ų | 81 | 66 Ų | 66 | 31% | 0.306 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 129.3 | 168.1 | -176.2 | 173.6 | -68.2 | 155 | -0.6 | 109.1 | E165 F167 V195 E196 | E165-R185 HydrophobicContact CB-CB 4.34Å; E165-R185 PolarHBondContact N-O 3.42Å; E165-R185 PolarHBondContact O-N 2.87Å; F167-R185 HydrophobicContact CD1-CB 4.22Å; F167-R185 HydrophobicContact CE1-CB 3.76Å; R185-V195 CarbonylContact C-O 3.56Å; R185-V195 WeakPolarHBondContact CA-O 3.46Å; R185-E196 HydrophobicContact CB-CB 4.41Å; R185-E196 IonicContact CZ-OE2 3.48Å; R185-E196 IonicContact NE-OE2 3.31Å; R185-E196 PolarHBondContact NE-OE2 3.33Å; R185-E196 IonicContact NH2-OE2 2.77Å; R185-E196 PolarHBondContact NH2-OE2 2.93Å |
| 186 | L | 94.7 | Very high | 85.1 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 137.2 | 172.5 | -57.7 | -175.9 | 0 | 0 | 0 | 108.7 | I162 K163 V164 V184 R194 V195 A210 M211 L214 | I162-L186 HydrophobicContact CG2-CB 3.95Å; I162-L186 HydrophobicContact CG2-CD1 4.48Å; I162-L186 HydrophobicContact CG2-CD2 3.95Å; I162-L186 HydrophobicContact CG2-CG 4.35Å; K163-L186 CarbonylContact O-C 3.6Å; K163-L186 WeakPolarHBondContact O-CA 3.43Å; V164-L186 HydrophobicContact CB-CD2 4.14Å; V164-L186 HydrophobicContact CG1-CD2 3.88Å; V164-L186 HydrophobicContact CG2-CD2 3.7Å; V184-L186 HydrophobicContact CG1-CD2 3.91Å; V184-L186 HydrophobicContact CG1-CG 4.38Å; L186-R194 CarbonylContact O-C 3.49Å; L186-R194 WeakPolarHBondContact O-CA 3.34Å; L186-V195 PolarHBondContact N-O 3.5Å; L186-V195 PolarHBondContact O-N 2.69Å; L186-A210 VanDerWaalsContact CD1-C 3.46Å; L186-A210 HydrophobicContact CD1-CB 3.57Å; L186-A210 HydrophobicContact CG-CB 3.78Å; L186-M211 HydrophobicContact CD1-CB 4.17Å; L186-M211 HydrophobicContact CD1-CE 4.06Å; L186-M211 HydrophobicContact CD1-SD 4.23Å; L186-L214 HydrophobicContact CB-CD2 4.42Å; L186-L214 HydrophobicContact CD1-CD2 4.49Å |
| 187 | H | 95 | Very high | 86.5 | Confident | 38 Ų | 38 | 57.8 Ų | 57.8 | 18% | 0.176 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 115.5 | 173.7 | 176.8 | -137.4 | 0 | 0 | 0 | 109.1 | I162 K163 I189 R194 | I162-H187 WeakPolarHBondContact CA-O 3.47Å; K163-H187 HydrophobicContact CB-CB 4.26Å; K163-H187 PolarHBondContact N-O 3.42Å; K163-H187 PolarHBondContact O-N 3.34Å; H187-I189 PolarHBondContact O-N 3.24Å; H187-R194 HydrophobicContact CB-CG 4.15Å; H187-R194 WeakPolarHBondContact CD2-CG 3.14Å |
| 188 | H | 94.6 | Very high | 87.9 | Confident | 15 Ų | 15 | 58.4 Ų | 58.4 | 7% | 0.069 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 109.1 | 174.8 | -172.5 | -113 | 0 | 0 | 0 | 109.1 | T191 G192 I193 L214 | H188-T191 WeakPolarHBondContact ND1-CG2 3.26Å; H188-T191 PolarHBondContact ND1-OG1 3.26Å; H188-T191 PolarHBondContact O-N 3.08Å; H188-G192 WeakPolarHBondContact O-CA 3.4Å; H188-G192 PolarHBondContact O-N 2.85Å; H188-I193 PolarHBondContact N-O 2.83Å; H188-L214 HydrophobicContact CB-CD1 4.01Å; H188-L214 HydrophobicContact CB-CD2 4.21Å |
| 189 | I | 92.1 | Very high | 89 | Confident | 102 Ų | 102 | 59.3 Ų | 59.3 | 52% | 0.523 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -46.1 | -171.1 | -58.2 | 164.4 | 0 | 0 | 0 | 111.6 | D161 H187 T191 | D161-I189 WeakPolarHBondContact O-CG1 3.48Å; D161-I189 PolarHBondContact O-N 2.92Å; H187-I189 PolarHBondContact O-N 3.24Å; I189-T191 PolarHBondContact O-N 2.83Å |
| 190 | P | 91.1 | Very high | 90 | Very high | 83 Ų | 83 | 55 Ų | 55 | 54% | 0.539 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -33.9 | -177 | -23.3 | 33.8 | 0 | 0 | 0 | 114.3 | D161 | D161-P190 HydrophobicContact CB-CG 3.96Š|
| 191 | T | 89.5 | Confident | 90.3 | Very high | 48 Ų | 48 | 60.7 Ų | 60.7 | 29% | 0.294 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | -9.6 | -174.6 | 65 | 0 | 0 | 0 | 0 | 114.3 | H188 I189 I193 L218 R221 | H188-T191 WeakPolarHBondContact ND1-CG2 3.26Å; H188-T191 PolarHBondContact ND1-OG1 3.26Å; H188-T191 PolarHBondContact O-N 3.08Å; I189-T191 PolarHBondContact O-N 2.83Å; T191-I193 PolarHBondContact O-N 2.9Å; T191-I193 WeakPolarHBondContact OG1-CD1 3.31Å; T191-L218 HydrophobicContact CG2-CD2 3.79Å; T191-R221 PolarHBondContact O-NH1 2.83Å |
| 192 | G | 91.3 | Very high | 90.7 | Very high | 43 Ų | 43 | 64.4 Ų | 64.4 | 44% | 0.443 | 31% | 0.31 | S | S | . | . | trans | 69.9 | 5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | H188 R194 | H188-G192 WeakPolarHBondContact O-CA 3.4Å; H188-G192 PolarHBondContact O-N 2.85Å; G192-R194 PolarHBondContact O-N 2.92Å | ||
| 193 | I | 92.9 | Very high | 90.9 | Very high | 25 Ų | 25 | 68.3 Ų | 68.3 | 13% | 0.128 | 33% | 0.326 | C | S | . | . | trans | -72.6 | 130.6 | -176.4 | -68.8 | 165.9 | 0 | 0 | 0 | 109.8 | H188 T191 V195 L214 I217 L218 | H188-I193 PolarHBondContact N-O 2.83Å; T191-I193 PolarHBondContact O-N 2.9Å; T191-I193 WeakPolarHBondContact OG1-CD1 3.31Å; I193-V195 HydrophobicContact CG2-CG2 4.07Å; I193-L214 HydrophobicContact CB-CD1 4.33Å; I193-L214 HydrophobicContact CG2-CD1 3.79Å; I193-I217 HydrophobicContact CD1-CG2 4.08Å; I193-I217 HydrophobicContact CG2-CG2 3.99Å; I193-L218 HydrophobicContact CD1-CD2 3.69Å | ||
| 194 | R | 94.5 | Very high | 90.9 | Very high | 174 Ų | 174 | 75.3 Ų | 75.3 | 66% | 0.657 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 133.2 | 176.8 | -64.4 | 179.3 | -174.4 | -176.9 | 2.4 | 110.3 | L186 H187 G192 | L186-R194 CarbonylContact O-C 3.49Å; L186-R194 WeakPolarHBondContact O-CA 3.34Å; H187-R194 HydrophobicContact CB-CG 4.15Å; H187-R194 WeakPolarHBondContact CD2-CG 3.14Å; G192-R194 PolarHBondContact O-N 2.92Å |
| 195 | V | 94.1 | Very high | 90.8 | Very high | 4 Ų | 4 | 78.7 Ų | 78.7 | 2% | 0.024 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 136.2 | 179.7 | 179.8 | 0 | 0 | 0 | 0 | 108.8 | R185 L186 I193 K213 L214 I217 | R185-V195 CarbonylContact C-O 3.56Å; R185-V195 WeakPolarHBondContact CA-O 3.46Å; L186-V195 PolarHBondContact N-O 3.5Å; L186-V195 PolarHBondContact O-N 2.69Å; I193-V195 HydrophobicContact CG2-CG2 4.07Å; V195-K213 HydrophobicContact CG1-CB 3.8Å; V195-K213 HydrophobicContact CG1-CD 3.45Å; V195-K213 VanDerWaalsContact CG1-CD 3.45Å; V195-K213 HydrophobicContact CG1-CG 3.52Å; V195-L214 HydrophobicContact CB-CB 4.49Å; V195-L214 HydrophobicContact CG2-CB 4.11Å; V195-L214 HydrophobicContact CG2-CD1 3.88Å; V195-I217 HydrophobicContact CG2-CD1 3.62Å |
| 196 | E | 93.2 | Very high | 90.7 | Very high | 91 Ų | 91 | 74.8 Ų | 74.8 | 43% | 0.425 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 149.5 | 174.5 | 59.9 | -175.3 | -152 | 0 | 0 | 111.9 | F167 V184 R185 | F167-E196 HydrophobicContact CE1-CB 4.37Å; F167-E196 HydrophobicContact CZ-CB 4.15Å; V184-E196 CarbonylContact O-C 3.59Å; V184-E196 VanDerWaalsContact O-CA 3.29Å; V184-E196 WeakPolarHBondContact O-CA 3.44Å; R185-E196 HydrophobicContact CB-CB 4.41Å; R185-E196 IonicContact CZ-OE2 3.48Å; R185-E196 IonicContact NE-OE2 3.31Å; R185-E196 PolarHBondContact NE-OE2 3.33Å; R185-E196 IonicContact NH2-OE2 2.77Å; R185-E196 PolarHBondContact NH2-OE2 2.93Å |
| 197 | C | 91.3 | Very high | 90.5 | Very high | 14 Ų | 14 | 79.3 Ų | 79.3 | 10% | 0.095 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 131.4 | 175.4 | -166.7 | 0 | 0 | 0 | 0 | 110.7 | V184 N206 A210 | V184-C197 PolarHBondContact N-O 3.23Å; V184-C197 PolarHBondContact O-N 3.41Å; C197-N206 HydrophobicContact CB-CB 4.49Å; C197-A210 HydrophobicContact CB-CB 3.76Å |
| 198 | Q | 89.1 | Confident | 90.4 | Very high | 66 Ų | 66 | 84 Ų | 84 | 31% | 0.308 | 40% | 0.401 | S | S | . | . | trans | -140.7 | 27.2 | -179.9 | 63.9 | 177.3 | 3.2 | 0 | 0 | 112.1 | A183 | A183-Q198 HydrophobicContact CB-CB 3.65Š| ||
| 199 | V | 86.1 | Confident | 90.3 | Very high | 107 Ų | 107 | 86.9 Ų | 86.9 | 65% | 0.648 | 41% | 0.414 | S | S | * | . | trans | -79.8 | -38.6 | -172.1 | 178.7 | 0 | 0 | 0 | 0 | 111.4 | N206 | V199-N206 PolarHBondContact N-OD1 3.36Š| ||
| 200 | E | 87.9 | Confident | 90.3 | Very high | 60 Ų | 60 | 82 Ų | 82 | 28% | 0.28 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -94.2 | 156.1 | -173.9 | -65.2 | -64 | 160.4 | 0 | 0 | 112.2 | Y202 L205 N206 K209 | E200-Y202 VanDerWaalsContact C-N 3.29Å; E200-L205 HydrophobicContact CB-CB 3.78Å; E200-L205 HydrophobicContact CB-CD1 4.39Å; E200-L205 HydrophobicContact CG-CB 3.8Å; E200-L205 HydrophobicContact CG-CD1 4.39Å; E200-N206 WeakPolarHBondContact CB-OD1 3.34Å; E200-N206 PolarHBondContact N-OD1 3.25Å; E200-N206 PolarHBondContact O-ND2 2.91Å; E200-K209 HydrophobicContact CG-CD 4.02Å; E200-K209 WeakPolarHBondContact OE1-CE 3.44Å; E200-K209 IonicContact OE1-NZ 3.94Å; E200-K209 PolarHBondContact OE1-NZ 3.28Å |
| 201 | R | 83 | Confident | 90.4 | Very high | 220 Ų | 220 | 80.5 Ų | 80.5 | 83% | 0.83 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -70.8 | -27.8 | 175.3 | -61.9 | -178.5 | -178.4 | -176.6 | 0.9 | 112.6 | ||
| 202 | Y | 85.3 | Confident | 90.5 | Very high | 166 Ų | 166 | 84.8 Ų | 84.8 | 65% | 0.651 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -102.7 | 130.9 | -175.3 | -59 | -75.4 | 0 | 0 | 0 | 111.2 | E200 E204 L205 N206 | E200-Y202 VanDerWaalsContact C-N 3.29Å; Y202-E204 VanDerWaalsContact C-N 3.32Å; Y202-E204 PolarHBondContact O-N 2.75Å; Y202-L205 HydrophobicContact CD2-CD1 3.92Å; Y202-L205 PolarHBondContact O-N 3.03Å; Y202-N206 PolarHBondContact O-N 3Å; Y202-N206 VanDerWaalsContact O-N 3.13Å |
| 203 | Q | 87.1 | Confident | 90.6 | Very high | 97 Ų | 97 | 88 Ų | 88 | 45% | 0.453 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -56.5 | -42.6 | -179.3 | -175.3 | -163.2 | -13.1 | 0 | 0 | 112.5 | T166 V184 L205 N206 K207 | T166-Q203 HydrophobicContact CG2-CG 4.23Å; V184-Q203 HydrophobicContact CG2-CG 3.69Å; Q203-L205 VanDerWaalsContact C-N 3.32Å; Q203-L205 PolarHBondContact O-N 3.42Å; Q203-N206 PolarHBondContact O-N 3.4Å; Q203-K207 PolarHBondContact O-N 3Å |
| 204 | E | 89.3 | Confident | 90.5 | Very high | 147 Ų | 147 | 86.8 Ų | 86.8 | 69% | 0.687 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -62.6 | -38.4 | -179.9 | -65.7 | -169.7 | 164.9 | 0 | 0 | 112.7 | Y202 K207 K208 | Y202-E204 VanDerWaalsContact C-N 3.32Å; Y202-E204 PolarHBondContact O-N 2.75Å; E204-K207 PolarHBondContact O-N 3.45Å; E204-K208 WeakPolarHBondContact O-CG 3.49Å; E204-K208 PolarHBondContact O-N 3.45Å |
| 205 | L | 91 | Very high | 90.4 | Very high | 71 Ų | 71 | 81.1 Ų | 81.1 | 37% | 0.372 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -69 | -40.1 | 176.5 | -64.1 | 178 | 0 | 0 | 0 | 110.9 | E200 Y202 Q203 K207 K208 K209 | E200-L205 HydrophobicContact CB-CB 3.78Å; E200-L205 HydrophobicContact CB-CD1 4.39Å; E200-L205 HydrophobicContact CG-CB 3.8Å; E200-L205 HydrophobicContact CG-CD1 4.39Å; Y202-L205 HydrophobicContact CD2-CD1 3.92Å; Y202-L205 PolarHBondContact O-N 3.03Å; Q203-L205 VanDerWaalsContact C-N 3.32Å; Q203-L205 PolarHBondContact O-N 3.42Å; L205-K207 VanDerWaalsContact C-N 3.33Å; L205-K207 PolarHBondContact O-N 3.28Å; L205-K208 PolarHBondContact O-N 3.4Å; L205-K209 WeakPolarHBondContact O-CG 3.47Å; L205-K209 PolarHBondContact O-N 3.22Å |
| 206 | N | 91 | Very high | 90.2 | Very high | 0 Ų | 0 | 83.8 Ų | 83.8 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61.7 | -40.5 | 172 | -77 | -33.5 | 0 | 0 | 0 | 111.7 | S182 V184 C197 V199 E200 Y202 Q203 K209 A210 | S182-N206 PolarHBondContact O-ND2 2.87Å; V184-N206 HydrophobicContact CB-CB 4.33Å; V184-N206 HydrophobicContact CG2-CB 3.96Å; C197-N206 HydrophobicContact CB-CB 4.49Å; V199-N206 PolarHBondContact N-OD1 3.36Å; E200-N206 WeakPolarHBondContact CB-OD1 3.34Å; E200-N206 PolarHBondContact N-OD1 3.25Å; E200-N206 PolarHBondContact O-ND2 2.91Å; Y202-N206 PolarHBondContact O-N 3Å; Y202-N206 VanDerWaalsContact O-N 3.13Å; Q203-N206 PolarHBondContact O-N 3.4Å; N206-K209 PolarHBondContact O-N 2.92Å; N206-A210 WeakPolarHBondContact O-CB 3.48Å; N206-A210 PolarHBondContact O-N 3.48Å |
| 207 | K | 91 | Very high | 90.1 | Very high | 95 Ų | 95 | 82.6 Ų | 82.6 | 41% | 0.413 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.8 | -45.6 | 174.6 | -173.8 | 179.2 | 177.9 | -180 | 0 | 111.5 | V184 Q203 E204 L205 A210 M211 | V184-K207 HydrophobicContact CG1-CB 4.26Å; V184-K207 HydrophobicContact CG1-CG 4.48Å; V184-K207 HydrophobicContact CG2-CB 4.36Å; Q203-K207 PolarHBondContact O-N 3Å; E204-K207 PolarHBondContact O-N 3.45Å; L205-K207 VanDerWaalsContact C-N 3.33Å; L205-K207 PolarHBondContact O-N 3.28Å; K207-A210 PolarHBondContact O-N 3.36Å; K207-M211 WeakPolarHBondContact O-CB 3.48Å; K207-M211 PolarHBondContact O-N 2.9Å |
| 208 | K | 92.2 | Very high | 90.1 | Very high | 135 Ų | 135 | 82.5 Ų | 82.5 | 59% | 0.587 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -61.2 | -46.4 | 176.5 | -74.3 | 177.9 | -179.2 | 177.6 | 0 | 111.9 | E204 L205 M211 Q212 | E204-K208 WeakPolarHBondContact O-CG 3.49Å; E204-K208 PolarHBondContact O-N 3.45Å; L205-K208 PolarHBondContact O-N 3.4Å; K208-M211 WeakPolarHBondContact O-CB 3.34Å; K208-M211 PolarHBondContact O-N 3.5Å; K208-Q212 WeakPolarHBondContact O-CG 3.32Å; K208-Q212 PolarHBondContact O-N 2.82Å |
| 209 | K | 93 | Very high | 90.1 | Very high | 76 Ų | 76 | 83.9 Ų | 83.9 | 33% | 0.33 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.9 | -41.3 | 176.8 | -73.4 | -172.2 | 176.2 | -172.2 | 0 | 112.8 | E200 L205 N206 M211 Q212 K213 | E200-K209 HydrophobicContact CG-CD 4.02Å; E200-K209 WeakPolarHBondContact OE1-CE 3.44Å; E200-K209 IonicContact OE1-NZ 3.94Å; E200-K209 PolarHBondContact OE1-NZ 3.28Å; L205-K209 WeakPolarHBondContact O-CG 3.47Å; L205-K209 PolarHBondContact O-N 3.22Å; N206-K209 PolarHBondContact O-N 2.92Å; K209-M211 VanDerWaalsContact C-N 3.26Å; K209-M211 PolarHBondContact O-N 3.43Å; K209-Q212 PolarHBondContact O-N 2.86Å; K209-K213 WeakPolarHBondContact O-CB 3.48Å; K209-K213 PolarHBondContact O-N 2.88Å |
| 210 | A | 93.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 84 Ų | 84 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.1 | -39.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111 | L186 C197 N206 K207 K213 L214 | L186-A210 VanDerWaalsContact CD1-C 3.46Å; L186-A210 HydrophobicContact CD1-CB 3.57Å; L186-A210 HydrophobicContact CG-CB 3.78Å; C197-A210 HydrophobicContact CB-CB 3.76Å; N206-A210 WeakPolarHBondContact O-CB 3.48Å; N206-A210 PolarHBondContact O-N 3.48Å; K207-A210 PolarHBondContact O-N 3.36Å; A210-K213 PolarHBondContact O-N 3.4Å; A210-L214 WeakPolarHBondContact O-CB 3.49Å; A210-L214 PolarHBondContact O-N 3.47Å |
| 211 | M | 92.5 | Very high | 90.3 | Very high | 52 Ų | 52 | 86.5 Ų | 86.5 | 26% | 0.256 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.4 | -47.9 | 176.3 | -168.7 | 62.2 | 75.3 | 0 | 0 | 111.6 | I162 L186 K207 K208 K209 K213 L214 V215 | I162-M211 HydrophobicContact CD1-CE 3.24Å; I162-M211 HydrophobicContact CD1-SD 3.37Å; I162-M211 WeakPolarHBondContact CD1-SD 3.4Å; I162-M211 HydrophobicContact CG2-CE 4.5Å; L186-M211 HydrophobicContact CD1-CB 4.17Å; L186-M211 HydrophobicContact CD1-CE 4.06Å; L186-M211 HydrophobicContact CD1-SD 4.23Å; K207-M211 WeakPolarHBondContact O-CB 3.48Å; K207-M211 PolarHBondContact O-N 2.9Å; K208-M211 WeakPolarHBondContact O-CB 3.34Å; K208-M211 PolarHBondContact O-N 3.5Å; K209-M211 VanDerWaalsContact C-N 3.26Å; K209-M211 PolarHBondContact O-N 3.43Å; M211-K213 VanDerWaalsContact C-N 3.29Å; M211-K213 PolarHBondContact O-N 3.09Å; M211-L214 WeakPolarHBondContact O-CB 3.35Å; M211-L214 PolarHBondContact O-N 2.8Å; M211-L214 VanDerWaalsContact O-N 3.12Å; M211-L214 HydrophobicContact SD-CD2 4.3Å; M211-V215 WeakPolarHBondContact O-CG2 3.31Å; M211-V215 PolarHBondContact O-N 3.43Å |
| 212 | Q | 91.4 | Very high | 90.5 | Very high | 138 Ų | 138 | 78 Ų | 78 | 65% | 0.645 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -56.9 | -44.2 | 175.3 | -73.1 | 173.8 | -22.6 | 0 | 0 | 111.5 | K208 K209 V215 A216 | K208-Q212 WeakPolarHBondContact O-CG 3.32Å; K208-Q212 PolarHBondContact O-N 2.82Å; K209-Q212 PolarHBondContact O-N 2.86Å; Q212-V215 PolarHBondContact O-N 3.32Å; Q212-A216 WeakPolarHBondContact O-CB 3.43Å; Q212-A216 PolarHBondContact O-N 3.43Å |
| 213 | K | 92.9 | Very high | 90.6 | Very high | 109 Ų | 109 | 77.8 Ų | 77.8 | 47% | 0.474 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.1 | -39.9 | 176 | -178.5 | 174 | 169.9 | -173.3 | 0 | 112 | V195 K209 A210 M211 A216 I217 | V195-K213 HydrophobicContact CG1-CB 3.8Å; V195-K213 HydrophobicContact CG1-CD 3.45Å; V195-K213 VanDerWaalsContact CG1-CD 3.45Å; V195-K213 HydrophobicContact CG1-CG 3.52Å; K209-K213 WeakPolarHBondContact O-CB 3.48Å; K209-K213 PolarHBondContact O-N 2.88Å; A210-K213 PolarHBondContact O-N 3.4Å; M211-K213 VanDerWaalsContact C-N 3.29Å; M211-K213 PolarHBondContact O-N 3.09Å; K213-A216 PolarHBondContact O-N 2.91Å; K213-I217 HydrophobicContact CG-CD1 3.94Å; K213-I217 WeakPolarHBondContact O-CD1 3.33Å; K213-I217 VanDerWaalsContact O-CG1 3.24Å; K213-I217 WeakPolarHBondContact O-CG1 3.17Å; K213-I217 PolarHBondContact O-N 3.49Å |
| 214 | L | 92.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.9 | -48.3 | 176.2 | 178.5 | 64.3 | 0 | 0 | 0 | 111.8 | I162 L186 H188 I193 V195 A210 M211 A216 I217 L218 | I162-L214 HydrophobicContact CD1-CD2 4Å; I162-L214 HydrophobicContact CG1-CD2 4.28Å; I162-L214 HydrophobicContact CG2-CD2 4.47Å; L186-L214 HydrophobicContact CB-CD2 4.42Å; L186-L214 HydrophobicContact CD1-CD2 4.49Å; H188-L214 HydrophobicContact CB-CD1 4.01Å; H188-L214 HydrophobicContact CB-CD2 4.21Å; I193-L214 HydrophobicContact CB-CD1 4.33Å; I193-L214 HydrophobicContact CG2-CD1 3.79Å; V195-L214 HydrophobicContact CB-CB 4.49Å; V195-L214 HydrophobicContact CG2-CB 4.11Å; V195-L214 HydrophobicContact CG2-CD1 3.88Å; A210-L214 WeakPolarHBondContact O-CB 3.49Å; A210-L214 PolarHBondContact O-N 3.47Å; M211-L214 WeakPolarHBondContact O-CB 3.35Å; M211-L214 PolarHBondContact O-N 2.8Å; M211-L214 VanDerWaalsContact O-N 3.12Å; M211-L214 HydrophobicContact SD-CD2 4.3Å; L214-A216 VanDerWaalsContact C-N 3.32Å; L214-A216 PolarHBondContact O-N 3.44Å; L214-I217 PolarHBondContact O-N 3.44Å; L214-L218 HydrophobicContact CD1-CD1 4.11Å; L214-L218 HydrophobicContact CD1-CG 4.23Å; L214-L218 HydrophobicContact CG-CD1 3.93Å; L214-L218 HydrophobicContact CG-CG 4.46Å; L214-L218 WeakPolarHBondContact O-CG 3.25Å; L214-L218 PolarHBondContact O-N 3.34Å |
| 215 | V | 91 | Very high | 90.5 | Very high | 56 Ų | 56 | 70.6 Ų | 70.6 | 34% | 0.339 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.3 | -44.4 | 176.8 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | V157 M211 Q212 I217 L218 H219 | V157-V215 HydrophobicContact CG2-CG2 4.01Å; M211-V215 WeakPolarHBondContact O-CG2 3.31Å; M211-V215 PolarHBondContact O-N 3.43Å; Q212-V215 PolarHBondContact O-N 3.32Å; V215-I217 PolarHBondContact O-N 2.82Å; V215-L218 PolarHBondContact O-N 3.09Å; V215-H219 VanDerWaalsContact O-CB 3.31Å; V215-H219 WeakPolarHBondContact O-CB 3.28Å; V215-H219 PolarHBondContact O-N 2.86Å |
| 216 | A | 90 | Very high | 90.2 | Very high | 60 Ų | 60 | 71.6 Ų | 71.6 | 50% | 0.496 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60 | -43.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q212 K213 L214 E220 | Q212-A216 WeakPolarHBondContact O-CB 3.43Å; Q212-A216 PolarHBondContact O-N 3.43Å; K213-A216 PolarHBondContact O-N 2.91Å; L214-A216 VanDerWaalsContact C-N 3.32Å; L214-A216 PolarHBondContact O-N 3.44Å; A216-E220 WeakPolarHBondContact O-CB 3.25Å; A216-E220 PolarHBondContact O-N 3.01Å |
| 217 | I | 91.5 | Very high | 90 | Very high | 65 Ų | 65 | 76 Ų | 76 | 33% | 0.333 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -67 | -41.5 | 177.4 | -67.7 | 163 | 0 | 0 | 0 | 111.3 | I193 V195 K213 L214 V215 E220 R221 | I193-I217 HydrophobicContact CD1-CG2 4.08Å; I193-I217 HydrophobicContact CG2-CG2 3.99Å; V195-I217 HydrophobicContact CG2-CD1 3.62Å; K213-I217 HydrophobicContact CG-CD1 3.94Å; K213-I217 WeakPolarHBondContact O-CD1 3.33Å; K213-I217 VanDerWaalsContact O-CG1 3.24Å; K213-I217 WeakPolarHBondContact O-CG1 3.17Å; K213-I217 PolarHBondContact O-N 3.49Å; L214-I217 PolarHBondContact O-N 3.44Å; V215-I217 PolarHBondContact O-N 2.82Å; I217-E220 PolarHBondContact O-N 2.84Å; I217-R221 WeakPolarHBondContact O-CB 3.42Å; I217-R221 PolarHBondContact O-N 3.46Å |
| 218 | L | 91.2 | Very high | 90 | Very high | 12 Ų | 12 | 77.4 Ų | 77.4 | 6% | 0.063 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.2 | -41.2 | 178.2 | -70.8 | 170 | 0 | 0 | 0 | 111.7 | V155 V157 T191 I193 L214 V215 R221 S222 | V155-L218 HydrophobicContact CG1-CB 3.92Å; V157-L218 HydrophobicContact CG1-CD1 4.27Å; V157-L218 HydrophobicContact CG2-CD1 3.57Å; T191-L218 HydrophobicContact CG2-CD2 3.79Å; I193-L218 HydrophobicContact CD1-CD2 3.69Å; L214-L218 HydrophobicContact CD1-CD1 4.11Å; L214-L218 HydrophobicContact CD1-CG 4.23Å; L214-L218 HydrophobicContact CG-CD1 3.93Å; L214-L218 HydrophobicContact CG-CG 4.46Å; L214-L218 WeakPolarHBondContact O-CG 3.25Å; L214-L218 PolarHBondContact O-N 3.34Å; V215-L218 PolarHBondContact O-N 3.09Å; L218-R221 PolarHBondContact O-N 2.85Å; L218-S222 WeakPolarHBondContact O-CB 3.27Å; L218-S222 PolarHBondContact O-N 2.94Å |
| 219 | H | 88.4 | Confident | 89.7 | Confident | 96 Ų | 96 | 76.9 Ų | 76.9 | 44% | 0.444 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.3 | -46.5 | 174.9 | -174.9 | -85.3 | 0 | 0 | 0 | 111.5 | V215 R221 S222 R223 | V215-H219 VanDerWaalsContact O-CB 3.31Å; V215-H219 WeakPolarHBondContact O-CB 3.28Å; V215-H219 PolarHBondContact O-N 2.86Å; H219-R221 VanDerWaalsContact C-N 3.34Å; H219-R221 PolarHBondContact O-N 2.82Å; H219-S222 PolarHBondContact O-N 2.91Å; H219-R223 WeakPolarHBondContact O-CB 3.14Å; H219-R223 PolarHBondContact O-N 3.23Å |
| 220 | E | 89.5 | Confident | 89.4 | Confident | 108 Ų | 108 | 76.3 Ų | 76.3 | 51% | 0.505 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.4 | -40.3 | 177.1 | -174 | 57.2 | -155 | 0 | 0 | 112.1 | A216 I217 R223 S224 | A216-E220 WeakPolarHBondContact O-CB 3.25Å; A216-E220 PolarHBondContact O-N 3.01Å; I217-E220 PolarHBondContact O-N 2.84Å; E220-R223 PolarHBondContact O-N 2.94Å; E220-S224 VanDerWaalsContact O-CB 3.27Å; E220-S224 WeakPolarHBondContact O-CB 3.36Å; E220-S224 PolarHBondContact O-N 2.87Å |
| 221 | R | 89.6 | Confident | 89.2 | Confident | 114 Ų | 114 | 79.9 Ų | 79.9 | 43% | 0.43 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.2 | -49 | 175.5 | -177.2 | 172.2 | -179.8 | 176.7 | 1.1 | 111.6 | T191 I217 L218 H219 R223 S224 D225 | T191-R221 PolarHBondContact O-NH1 2.83Å; I217-R221 WeakPolarHBondContact O-CB 3.42Å; I217-R221 PolarHBondContact O-N 3.46Å; L218-R221 PolarHBondContact O-N 2.85Å; H219-R221 VanDerWaalsContact C-N 3.34Å; H219-R221 PolarHBondContact O-N 2.82Å; R221-R223 VanDerWaalsContact C-N 3.33Å; R221-R223 PolarHBondContact O-N 2.87Å; R221-S224 PolarHBondContact O-N 3.47Å; R221-D225 WeakPolarHBondContact CG-OD2 3.45Å; R221-D225 IonicContact NE-OD2 2.56Å; R221-D225 WeakPolarHBondContact O-CB 3.47Å; R221-D225 VanDerWaalsContact O-CG 3.26Å; R221-D225 PolarHBondContact O-N 2.87Å |
| 222 | S | 86.6 | Confident | 89.1 | Confident | 42 Ų | 42 | 83.3 Ų | 83.3 | 29% | 0.294 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.1 | -44.8 | 177.8 | 176.1 | 0 | 0 | 0 | 0 | 111.6 | L218 H219 S224 D225 R226 | L218-S222 WeakPolarHBondContact O-CB 3.27Å; L218-S222 PolarHBondContact O-N 2.94Å; H219-S222 PolarHBondContact O-N 2.91Å; S222-S224 PolarHBondContact O-N 2.88Å; S222-D225 PolarHBondContact O-N 2.84Å; S222-R226 WeakPolarHBondContact O-CB 3.29Å; S222-R226 PolarHBondContact O-N 2.8Å |
| 223 | R | 86.8 | Confident | 89 | Confident | 161 Ų | 161 | 79.8 Ų | 79.8 | 61% | 0.608 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -59.5 | -46.5 | 174.1 | -177.3 | -176.6 | 177.3 | 169.3 | 2.5 | 111.9 | H219 E220 R221 R226 Q227 | H219-R223 WeakPolarHBondContact O-CB 3.14Å; H219-R223 PolarHBondContact O-N 3.23Å; E220-R223 PolarHBondContact O-N 2.94Å; R221-R223 VanDerWaalsContact C-N 3.33Å; R221-R223 PolarHBondContact O-N 2.87Å; R223-R226 PolarHBondContact O-N 2.81Å; R223-Q227 WeakPolarHBondContact O-CB 3.4Å; R223-Q227 PolarHBondContact O-N 2.76Å |
| 224 | S | 88.3 | Confident | 88.9 | Confident | 42 Ų | 42 | 79 Ų | 79 | 29% | 0.294 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.2 | -41.7 | -180 | -176.5 | 0 | 0 | 0 | 0 | 112.5 | E220 R221 S222 Q227 R228 | E220-S224 VanDerWaalsContact O-CB 3.27Å; E220-S224 WeakPolarHBondContact O-CB 3.36Å; E220-S224 PolarHBondContact O-N 2.87Å; R221-S224 PolarHBondContact O-N 3.47Å; S222-S224 PolarHBondContact O-N 2.88Å; S224-Q227 PolarHBondContact O-N 3.16Å; S224-R228 WeakPolarHBondContact O-CG 3.49Å; S224-R228 PolarHBondContact O-N 2.78Å; S224-R228 PolarHBondContact OG-NE 2.85Å; S224-R228 PolarHBondContact OG-NH2 2.89Å |
| 225 | D | 87.9 | Confident | 88.8 | Confident | 51 Ų | 51 | 86.9 Ų | 86.9 | 27% | 0.273 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.6 | -44.4 | 177.7 | -68.6 | -23.4 | 0 | 0 | 0 | 110.2 | R221 S222 Q227 R228 E229 | R221-D225 WeakPolarHBondContact CG-OD2 3.45Å; R221-D225 IonicContact NE-OD2 2.56Å; R221-D225 WeakPolarHBondContact O-CB 3.47Å; R221-D225 VanDerWaalsContact O-CG 3.26Å; R221-D225 PolarHBondContact O-N 2.87Å; S222-D225 PolarHBondContact O-N 2.84Å; D225-Q227 PolarHBondContact O-N 2.79Å; D225-R228 WeakPolarHBondContact O-CB 3.24Å; D225-R228 PolarHBondContact O-N 3.22Å; D225-R228 VanDerWaalsContact O-N 3.16Å; D225-R228 IonicContact OD1-CZ 3.1Å; D225-R228 IonicContact OD1-NH1 3.71Å; D225-R228 PolarHBondContact OD1-NH1 3.32Å; D225-R228 IonicContact OD1-NH2 3.42Å; D225-R228 PolarHBondContact OD1-NH2 2.99Å; D225-E229 PolarHBondContact O-N 3.47Å |
| 226 | R | 84.4 | Confident | 88.8 | Confident | 91 Ų | 91 | 91.4 Ų | 91.4 | 34% | 0.343 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.3 | -40.8 | 176.1 | -165.2 | 174.1 | -165.7 | 151.9 | -2.1 | 113.2 | P150 H151 S222 R223 R228 E229 F230 | P150-R226 VanDerWaalsContact CA-NH2 3.26Å; H151-R226 VanDerWaalsContact N-NH2 3.2Å; H151-R226 PolarHBondContact O-NH1 2.78Å; H151-R226 PolarHBondContact O-NH2 3.34Å; S222-R226 WeakPolarHBondContact O-CB 3.29Å; S222-R226 PolarHBondContact O-N 2.8Å; R223-R226 PolarHBondContact O-N 2.81Å; R226-R228 VanDerWaalsContact C-N 3.29Å; R226-R228 PolarHBondContact O-N 3.17Å; R226-E229 PolarHBondContact O-N 2.7Å; R226-F230 WeakPolarHBondContact O-CB 3.31Å; R226-F230 PolarHBondContact O-N 3.26Å |
| 227 | Q | 87 | Confident | 88.8 | Confident | 93 Ų | 93 | 90.7 Ų | 90.7 | 44% | 0.435 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.4 | -41.2 | 174.1 | -174.6 | 63.9 | 50 | 0 | 0 | 110.9 | R223 S224 D225 F230 D231 | R223-Q227 WeakPolarHBondContact O-CB 3.4Å; R223-Q227 PolarHBondContact O-N 2.76Å; S224-Q227 PolarHBondContact O-N 3.16Å; D225-Q227 PolarHBondContact O-N 2.79Å; Q227-F230 PolarHBondContact O-N 2.91Å; Q227-D231 PolarHBondContact NE2-OD1 2.82Å; Q227-D231 PolarHBondContact NE2-OD2 2.92Å; Q227-D231 WeakPolarHBondContact O-CB 3.22Å; Q227-D231 PolarHBondContact O-N 3.49Å |
| 228 | R | 89.3 | Confident | 88.6 | Confident | 124 Ų | 124 | 89 Ų | 89 | 47% | 0.468 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 176.9 | -78.8 | -176.7 | -110.2 | 132.6 | 4.9 | 112.1 | S224 D225 R226 D231 Q232 | S224-R228 WeakPolarHBondContact O-CG 3.49Å; S224-R228 PolarHBondContact O-N 2.78Å; S224-R228 PolarHBondContact OG-NE 2.85Å; S224-R228 PolarHBondContact OG-NH2 2.89Å; D225-R228 WeakPolarHBondContact O-CB 3.24Å; D225-R228 PolarHBondContact O-N 3.22Å; D225-R228 VanDerWaalsContact O-N 3.16Å; D225-R228 IonicContact OD1-CZ 3.1Å; D225-R228 IonicContact OD1-NH1 3.71Å; D225-R228 PolarHBondContact OD1-NH1 3.32Å; D225-R228 IonicContact OD1-NH2 3.42Å; D225-R228 PolarHBondContact OD1-NH2 2.99Å; R226-R228 VanDerWaalsContact C-N 3.29Å; R226-R228 PolarHBondContact O-N 3.17Å; R228-D231 PolarHBondContact O-N 3.46Å; R228-Q232 WeakPolarHBondContact O-CB 3.38Å; R228-Q232 WeakPolarHBondContact O-CG 3.29Å; R228-Q232 PolarHBondContact O-N 3.35Å |
| 229 | E | 86.8 | Confident | 88.5 | Confident | 124 Ų | 124 | 90.2 Ų | 90.2 | 58% | 0.579 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -62.3 | -43.3 | 175.5 | -72.3 | 172.6 | -174.6 | 0 | 0 | 111.9 | D225 R226 Q232 T233 | D225-E229 PolarHBondContact O-N 3.47Å; R226-E229 PolarHBondContact O-N 2.7Å; E229-Q232 PolarHBondContact O-N 3.13Å; E229-T233 WeakPolarHBondContact O-CB 3.28Å; E229-T233 PolarHBondContact O-N 3Å; E229-T233 PolarHBondContact O-OG1 3.38Å |
| 230 | F | 86.7 | Confident | 88.3 | Confident | 64 Ų | 64 | 89 Ų | 89 | 28% | 0.281 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.5 | -50.4 | 175.2 | -178 | -90 | 0 | 0 | 0 | 111.6 | F147 R226 Q227 Q232 T233 R234 | F147-F230 HydrophobicContact CB-CE2 3.96Å; F147-F230 HydrophobicContact CD1-CD2 4.02Å; F147-F230 AromaticContact CD1-CE2 3.67Å; F147-F230 HydrophobicContact CD1-CE2 3.67Å; F147-F230 HydrophobicContact CD1-CZ 4.27Å; F147-F230 AromaticContact CD2-CE2 3.61Å; F147-F230 HydrophobicContact CD2-CE2 3.61Å; F147-F230 AromaticContact CD2-CZ 3.75Å; F147-F230 HydrophobicContact CD2-CZ 3.75Å; F147-F230 HydrophobicContact CE1-CD2 4.41Å; F147-F230 HydrophobicContact CE1-CE2 4.05Å; F147-F230 HydrophobicContact CE1-CZ 4.24Å; F147-F230 AromaticContact CE2-CE2 3.99Å; F147-F230 HydrophobicContact CE2-CE2 3.99Å; F147-F230 AromaticContact CE2-CZ 3.71Å; F147-F230 HydrophobicContact CE2-CZ 3.71Å; F147-F230 HydrophobicContact CG-CD2 4.17Å; F147-F230 AromaticContact CG-CE2 3.43Å; F147-F230 HydrophobicContact CG-CE2 3.43Å; F147-F230 VanDerWaalsContact CG-CE2 3.43Å; F147-F230 HydrophobicContact CG-CZ 4.04Å; F147-F230 HydrophobicContact CZ-CE1 4.5Å; F147-F230 HydrophobicContact CZ-CE2 4.2Å; F147-F230 AromaticContact CZ-CZ 3.96Å; F147-F230 HydrophobicContact CZ-CZ 3.96Å; R226-F230 WeakPolarHBondContact O-CB 3.31Å; R226-F230 PolarHBondContact O-N 3.26Å; Q227-F230 PolarHBondContact O-N 2.91Å; F230-Q232 VanDerWaalsContact C-N 3.32Å; F230-Q232 PolarHBondContact O-N 2.99Å; F230-T233 PolarHBondContact O-N 3.24Å; F230-R234 VanDerWaalsContact O-CB 3.29Å; F230-R234 WeakPolarHBondContact O-CB 3.49Å; F230-R234 PolarHBondContact O-N 3Å |
| 231 | D | 89.3 | Confident | 87.8 | Confident | 75 Ų | 75 | 84.6 Ų | 84.6 | 40% | 0.401 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.3 | -37.9 | -179.3 | -70.6 | -20.6 | 0 | 0 | 0 | 112.1 | Q227 R228 K235 | Q227-D231 PolarHBondContact NE2-OD1 2.82Å; Q227-D231 PolarHBondContact NE2-OD2 2.92Å; Q227-D231 WeakPolarHBondContact O-CB 3.22Å; Q227-D231 PolarHBondContact O-N 3.49Å; R228-D231 PolarHBondContact O-N 3.46Å; D231-K235 VanDerWaalsContact O-CB 3.26Å; D231-K235 WeakPolarHBondContact O-CB 3.48Å; D231-K235 PolarHBondContact O-N 2.95Å |
| 232 | Q | 90.8 | Very high | 87.4 | Confident | 124 Ų | 124 | 80.3 Ų | 80.3 | 58% | 0.579 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -65.5 | -48.8 | 175.1 | -76.2 | 176 | 11.8 | 0 | 0 | 111.4 | R228 E229 F230 R234 K235 L236 | R228-Q232 WeakPolarHBondContact O-CB 3.38Å; R228-Q232 WeakPolarHBondContact O-CG 3.29Å; R228-Q232 PolarHBondContact O-N 3.35Å; E229-Q232 PolarHBondContact O-N 3.13Å; F230-Q232 VanDerWaalsContact C-N 3.32Å; F230-Q232 PolarHBondContact O-N 2.99Å; Q232-R234 VanDerWaalsContact C-N 3.31Å; Q232-R234 PolarHBondContact O-N 3.33Å; Q232-K235 PolarHBondContact O-N 2.82Å; Q232-L236 WeakPolarHBondContact O-CG 3.33Å; Q232-L236 PolarHBondContact O-N 3.4Å |
| 233 | T | 88.2 | Confident | 87.2 | Confident | 64 Ų | 64 | 84.3 Ų | 84.3 | 39% | 0.393 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -59.6 | -44.5 | 177.7 | -56.2 | 0 | 0 | 0 | 0 | 110.8 | F147 E229 F230 K235 L236 Q237 | F147-T233 HydrophobicContact CD1-CG2 4.27Å; F147-T233 HydrophobicContact CE1-CG2 4.2Å; E229-T233 WeakPolarHBondContact O-CB 3.28Å; E229-T233 PolarHBondContact O-N 3Å; E229-T233 PolarHBondContact O-OG1 3.38Å; F230-T233 PolarHBondContact O-N 3.24Å; T233-K235 PolarHBondContact O-N 2.94Å; T233-L236 PolarHBondContact O-N 3.27Å; T233-Q237 PolarHBondContact O-N 3.39Å |
| 234 | R | 91.5 | Very high | 87.2 | Confident | 93 Ų | 93 | 81.3 Ų | 81.3 | 35% | 0.351 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -58.8 | -47.2 | 175.1 | 179.9 | 172.7 | -178.1 | -103.4 | -1.4 | 111.6 | E55 F147 F230 Q232 L236 Q237 V238 | E55-R234 IonicContact OE1-CZ 2.76Å; E55-R234 IonicContact OE1-NE 2.76Å; E55-R234 IonicContact OE1-NH2 3.9Å; E55-R234 PolarHBondContact OE1-NH2 3.22Å; E55-R234 IonicContact OE2-CZ 2.7Å; E55-R234 IonicContact OE2-NE 3.54Å; E55-R234 PolarHBondContact OE2-NE 2.86Å; E55-R234 IonicContact OE2-NH2 3.04Å; E55-R234 PolarHBondContact OE2-NH2 3.46Å; F147-R234 HydrophobicContact CE1-CB 3.81Å; F147-R234 HydrophobicContact CZ-CB 3.56Å; F147-R234 HydrophobicContact CZ-CG 3.84Å; F230-R234 VanDerWaalsContact O-CB 3.29Å; F230-R234 WeakPolarHBondContact O-CB 3.49Å; F230-R234 PolarHBondContact O-N 3Å; Q232-R234 VanDerWaalsContact C-N 3.31Å; Q232-R234 PolarHBondContact O-N 3.33Å; R234-L236 VanDerWaalsContact C-N 3.29Å; R234-L236 PolarHBondContact O-N 3.3Å; R234-Q237 PolarHBondContact O-N 3.3Å; R234-V238 HydrophobicContact CG-CG2 4.16Å; R234-V238 WeakPolarHBondContact O-CB 3.32Å; R234-V238 WeakPolarHBondContact O-CG2 3.25Å; R234-V238 PolarHBondContact O-N 2.81Å |
| 235 | K | 90.4 | Very high | 87.3 | Confident | 165 Ų | 165 | 83.4 Ų | 83.4 | 72% | 0.717 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -61.8 | -36.6 | 179.7 | -173.4 | 178.8 | 179.6 | -176.9 | 0 | 112.2 | D231 Q232 T233 G239 | D231-K235 VanDerWaalsContact O-CB 3.26Å; D231-K235 WeakPolarHBondContact O-CB 3.48Å; D231-K235 PolarHBondContact O-N 2.95Å; Q232-K235 PolarHBondContact O-N 2.82Å; T233-K235 PolarHBondContact O-N 2.94Å; K235-G239 WeakPolarHBondContact O-CA 3.22Å; K235-G239 PolarHBondContact O-N 2.71Å |
| 236 | L | 89.8 | Confident | 87.5 | Confident | 152 Ų | 152 | 83.5 Ų | 83.5 | 80% | 0.796 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -67.6 | -37.8 | 177.1 | -71.5 | 170.6 | 0 | 0 | 0 | 112.5 | Q232 T233 R234 | Q232-L236 WeakPolarHBondContact O-CG 3.33Å; Q232-L236 PolarHBondContact O-N 3.4Å; T233-L236 PolarHBondContact O-N 3.27Å; R234-L236 VanDerWaalsContact C-N 3.29Å; R234-L236 PolarHBondContact O-N 3.3Å |
| 237 | Q | 90.8 | Very high | 88 | Confident | 45 Ų | 45 | 80.3 Ų | 80.3 | 21% | 0.21 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -77.3 | -45.2 | 178.9 | -65.6 | -175.3 | 41.3 | 0 | 0 | 112.5 | G121 A145 I146 T233 R234 | G121-Q237 WeakPolarHBondContact CA-O 3.31Å; A145-Q237 HydrophobicContact CB-CB 4.37Å; I146-Q237 PolarHBondContact O-NE2 3.09Å; T233-Q237 PolarHBondContact O-N 3.39Å; R234-Q237 PolarHBondContact O-N 3.3Å |
| 238 | V | 88.2 | Confident | 88.5 | Confident | 29 Ų | 29 | 75.9 Ų | 75.9 | 18% | 0.176 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -73.8 | -34.4 | -177.6 | 175.6 | 0 | 0 | 0 | 0 | 111.7 | T143 A145 R234 S240 A241 | T143-V238 HydrophobicContact CG2-CG1 4.01Å; A145-V238 HydrophobicContact CB-CG2 3.93Å; R234-V238 HydrophobicContact CG-CG2 4.16Å; R234-V238 WeakPolarHBondContact O-CB 3.32Å; R234-V238 WeakPolarHBondContact O-CG2 3.25Å; R234-V238 PolarHBondContact O-N 2.81Å; V238-S240 PolarHBondContact O-N 2.97Å; V238-A241 PolarHBondContact O-N 2.92Å |
| 239 | G | 87.6 | Confident | 88.9 | Confident | 37 Ų | 37 | 70.1 Ų | 70.1 | 38% | 0.381 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | -137.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | K235 E245 | K235-G239 WeakPolarHBondContact O-CA 3.22Å; K235-G239 PolarHBondContact O-N 2.71Å; G239-E245 WeakPolarHBondContact CA-OE2 3.19Å |
| 240 | S | 84.1 | Confident | 89.4 | Confident | 72 Ų | 72 | 64.2 Ų | 64.2 | 50% | 0.503 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 1.2 | 174.8 | 63.4 | 0 | 0 | 0 | 0 | 113.5 | V238 S242 E245 | V238-S240 PolarHBondContact O-N 2.97Å; S240-S242 PolarHBondContact O-N 3.38Å; S240-S242 VanDerWaalsContact O-N 3.09Å; S240-S242 WeakPolarHBondContact OG-CB 3.34Å; S240-S242 PolarHBondContact OG-N 3.25Å; S240-S242 PolarHBondContact OG-OG 3.5Å; S240-E245 PolarHBondContact N-OE2 3.36Å; S240-E245 PolarHBondContact OG-OE1 2.7Å; S240-E245 PolarHBondContact OG-OE2 3.48Å |
| 241 | A | 79.6 | Confident | 89.9 | Confident | 14 Ų | 14 | 62.2 Ų | 62.2 | 12% | 0.116 | 33% | 0.326 | C | S | . | . | trans | 54.9 | 17.4 | -167.5 | 0 | 0 | 0 | 0 | 0 | 114 | T141 T143 V238 | T141-A241 PolarHBondContact OG1-O 3.07Å; T143-A241 HydrophobicContact CG2-CB 3.49Å; T143-A241 VanDerWaalsContact CG2-CB 3.49Å; V238-A241 PolarHBondContact O-N 2.92Å | ||
| 242 | S | 82.3 | Confident | 90.2 | Very high | 25 Ų | 25 | 62 Ų | 62 | 18% | 0.175 | 32% | 0.322 | C | S | . | . | trans | -74.3 | 156.1 | -176.3 | 68.9 | 0 | 0 | 0 | 0 | 112.1 | S240 S244 E245 | S240-S242 PolarHBondContact O-N 3.38Å; S240-S242 VanDerWaalsContact O-N 3.09Å; S240-S242 WeakPolarHBondContact OG-CB 3.34Å; S240-S242 PolarHBondContact OG-N 3.25Å; S240-S242 PolarHBondContact OG-OG 3.5Å; S242-S244 PolarHBondContact O-N 3.18Å; S242-S244 VanDerWaalsContact O-N 3.17Å; S242-S244 PolarHBondContact OG-OG 2.86Å; S242-E245 PolarHBondContact O-N 2.95Å | ||
| 243 | R | 81.6 | Confident | 90.4 | Very high | 125 Ų | 125 | 59.6 Ų | 59.6 | 47% | 0.472 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -20 | 179.2 | -65 | 176.4 | 179.9 | 169.5 | 0.5 | 113.4 | T139 T141 K246 | T139-R243 PolarHBondContact O-NH2 2.92Å; T141-R243 HydrophobicContact CG2-CG 3.82Å; R243-K246 WeakPolarHBondContact O-CD 3.43Å |
| 244 | S | 86.3 | Confident | 90.8 | Very high | 99 Ų | 99 | 60.7 Ų | 60.7 | 69% | 0.692 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -30.7 | 178.1 | 33.3 | 0 | 0 | 0 | 0 | 112.9 | S242 K246 | S242-S244 PolarHBondContact O-N 3.18Å; S242-S244 VanDerWaalsContact O-N 3.17Å; S242-S244 PolarHBondContact OG-OG 2.86Å; S244-K246 PolarHBondContact O-N 3.41Å |
| 245 | E | 89.8 | Confident | 91 | Very high | 86 Ų | 86 | 59.3 Ų | 59.3 | 40% | 0.402 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -88.1 | 15.4 | -176.1 | -69 | 169.9 | -155.6 | 0 | 0 | 113.2 | V122 G239 S240 S242 I247 | V122-E245 WeakPolarHBondContact CB-O 3.27Å; V122-E245 HydrophobicContact CG2-CB 4Å; G239-E245 WeakPolarHBondContact CA-OE2 3.19Å; S240-E245 PolarHBondContact N-OE2 3.36Å; S240-E245 PolarHBondContact OG-OE1 2.7Å; S240-E245 PolarHBondContact OG-OE2 3.48Å; S242-E245 PolarHBondContact O-N 2.95Å; E245-I247 PolarHBondContact O-N 3.09Å |
| 246 | K | 93.6 | Very high | 91.3 | Very high | 52 Ų | 52 | 54.9 Ų | 54.9 | 23% | 0.226 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 126.2 | -177.4 | 66.5 | -173.3 | -174.8 | -66.4 | 0 | 111.6 | V122 R124 R243 S244 T249 H260 | V122-K246 CarbonylContact O-C 3.49Å; V122-K246 VanDerWaalsContact O-CA 3.28Å; V122-K246 WeakPolarHBondContact O-CA 3.44Å; R124-K246 HydrophobicContact CB-CB 4.23Å; R124-K246 HydrophobicContact CB-CD 4.28Å; R243-K246 WeakPolarHBondContact O-CD 3.43Å; S244-K246 PolarHBondContact O-N 3.41Å; K246-T249 WeakPolarHBondContact CD-OG1 3.14Å; K246-H260 WeakPolarHBondContact CE-NE2 3.4Å |
| 247 | I | 95.2 | Very high | 91.7 | Very high | 24 Ų | 24 | 47.7 Ų | 47.7 | 12% | 0.123 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | -27.7 | 166.9 | 61.8 | 157.4 | 0 | 0 | 0 | 111.1 | G120 V122 E245 H260 | G120-I247 WeakPolarHBondContact O-CD1 3.38Å; V122-I247 VanDerWaalsContact O-CG1 3.29Å; V122-I247 WeakPolarHBondContact O-CG1 3.29Å; V122-I247 PolarHBondContact O-N 3.02Å; E245-I247 PolarHBondContact O-N 3.09Å; I247-H260 PolarHBondContact O-CD2 3.17Å; I247-H260 PolarHBondContact O-N 3.44Å |
| 248 | R | 96.5 | Very high | 92 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 143.4 | -179.7 | -163.9 | 170.3 | -61.7 | 135.5 | 11.7 | 113 | E119 H123 R124 Y250 V257 S258 D259 | E119-R248 VanDerWaalsContact CD-NH1 3.3Å; E119-R248 IonicContact OE1-CZ 3.32Å; E119-R248 IonicContact OE1-NH1 3.1Å; E119-R248 PolarHBondContact OE1-NH1 3.25Å; E119-R248 VanDerWaalsContact OE1-NH1 3.16Å; E119-R248 IonicContact OE1-NH2 2.63Å; E119-R248 PolarHBondContact OE1-NH2 3.44Å; E119-R248 IonicContact OE2-CZ 3.36Å; E119-R248 IonicContact OE2-NH1 2.69Å; E119-R248 PolarHBondContact OE2-NH1 3.28Å; E119-R248 IonicContact OE2-NH2 3.57Å; H123-R248 PolarHBondContact CE1-NH1 3.47Å; H123-R248 VanDerWaalsContact CE1-NH1 3.28Å; R124-R248 PolarHBondContact N-O 2.6Å; R248-Y250 HydrophobicContact CB-CE2 4.33Å; R248-Y250 WeakPolarHBondContact CD-OH 3.44Å; R248-Y250 HydrophobicContact CG-CD2 4.47Å; R248-Y250 HydrophobicContact CG-CE2 3.97Å; R248-Y250 PolarHBondContact NH1-OH 3.18Å; R248-V257 VanDerWaalsContact CD-CG1 3.46Å; R248-V257 HydrophobicContact CG-CG1 3.63Å; R248-S258 CarbonylContact C-O 3.54Å; R248-S258 WeakPolarHBondContact CA-O 3.45Å; R248-S258 WeakPolarHBondContact CG-O 3.16Å; R248-D259 IonicContact CZ-OD2 2.75Å; R248-D259 IonicContact NE-OD2 3.02Å; R248-D259 PolarHBondContact NE-OD2 2.93Å; R248-D259 IonicContact NH2-OD2 3.16Å; R248-D259 PolarHBondContact NH2-OD2 2.85Å |
| 249 | T | 97.4 | Very high | 92.4 | Very high | 4 Ų | 4 | 44.9 Ų | 44.9 | 3% | 0.025 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 128.2 | 170.4 | -61.6 | 0 | 0 | 0 | 0 | 110.5 | R124 Q126 K246 N251 V257 S258 H260 | R124-T249 PolarHBondContact NE-OG1 3.16Å; R124-T249 PolarHBondContact NH2-OG1 2.93Å; R124-T249 CarbonylContact O-C 3.56Å; R124-T249 VanDerWaalsContact O-CA 3.27Å; R124-T249 WeakPolarHBondContact O-CA 3.17Å; Q126-T249 HydrophobicContact CG-CG2 4.48Å; K246-T249 WeakPolarHBondContact CD-OG1 3.14Å; T249-N251 HydrophobicContact CG2-CB 4.26Å; T249-V257 CarbonylContact O-C 3.6Å; T249-V257 VanDerWaalsContact O-CA 3.3Å; T249-V257 WeakPolarHBondContact O-CA 3.43Å; T249-S258 PolarHBondContact N-O 2.78Å; T249-S258 PolarHBondContact O-N 2.73Å; T249-H260 PolarHBondContact OG1-NE2 2.94Å |
| 250 | Y | 97.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 105.5 | 167.4 | -58.3 | -101.7 | 0 | 0 | 0 | 108.1 | F68 L72 H123 R124 V125 Q126 R248 V257 V269 I272 L273 | F68-Y250 HydrophobicContact CE2-CD2 4.02Å; F68-Y250 HydrophobicContact CE2-CE2 4.4Å; F68-Y250 HydrophobicContact CE2-CG 4.33Å; F68-Y250 AromaticContact CZ-CD2 3.55Å; F68-Y250 HydrophobicContact CZ-CD2 3.55Å; F68-Y250 AromaticContact CZ-CE2 3.83Å; F68-Y250 HydrophobicContact CZ-CE2 3.83Å; F68-Y250 HydrophobicContact CZ-CG 4.3Å; L72-Y250 HydrophobicContact CD2-CE2 4.1Å; H123-Y250 HydrophobicContact CB-CE2 4.11Å; H123-Y250 AromaticContact ND1-CE2 3.57Å; H123-Y250 AromaticContact ND1-CZ 3.96Å; H123-Y250 PolarHBondContact ND1-OH 3.42Å; R124-Y250 PolarHBondContact O-N 3.47Å; V125-Y250 CarbonylContact C-O 3.59Å; V125-Y250 WeakPolarHBondContact CA-O 3.49Å; Q126-Y250 PolarHBondContact N-O 2.84Å; R248-Y250 HydrophobicContact CB-CE2 4.33Å; R248-Y250 WeakPolarHBondContact CD-OH 3.44Å; R248-Y250 HydrophobicContact CG-CD2 4.47Å; R248-Y250 HydrophobicContact CG-CE2 3.97Å; R248-Y250 PolarHBondContact NH1-OH 3.18Å; Y250-V257 HydrophobicContact CD1-CB 4.45Å; Y250-V257 HydrophobicContact CD1-CG1 4.03Å; Y250-V257 HydrophobicContact CD1-CG2 3.55Å; Y250-V257 HydrophobicContact CE1-CG1 3.99Å; Y250-V257 HydrophobicContact CE1-CG2 4.03Å; Y250-V257 HydrophobicContact CG-CG1 4.5Å; Y250-V257 HydrophobicContact CG-CG2 4.32Å; Y250-V269 HydrophobicContact CD1-CG1 4.33Å; Y250-I272 HydrophobicContact CE1-CG2 4.34Å; Y250-L273 HydrophobicContact CD1-CD1 4.38Å; Y250-L273 HydrophobicContact CD1-CD2 3.83Å; Y250-L273 HydrophobicContact CD1-CG 4.03Å; Y250-L273 HydrophobicContact CE1-CD2 3.69Å; Y250-L273 HydrophobicContact CE1-CG 4.23Å |
| 251 | N | 97.2 | Very high | 93.2 | Very high | 21 Ų | 21 | 46.5 Ų | 46.5 | 11% | 0.112 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 100.3 | -175.6 | -171.5 | 4.8 | 0 | 0 | 0 | 110.2 | T249 P253 D254 D255 R256 | T249-N251 HydrophobicContact CG2-CB 4.26Å; N251-P253 VanDerWaalsContact OD1-CD 3.26Å; N251-P253 WeakPolarHBondContact OD1-CD 3.5Å; N251-D254 VanDerWaalsContact ND2-CG 3.34Å; N251-D254 PolarHBondContact ND2-OD2 3.46Å; N251-D255 PolarHBondContact O-N 3Å; N251-R256 WeakPolarHBondContact CA-O 3.36Å; N251-R256 WeakPolarHBondContact CB-O 3.36Å; N251-R256 PolarHBondContact N-O 2.8Å; N251-R256 PolarHBondContact O-N 3.28Å |
| 252 | F | 96.3 | Very high | 93.8 | Very high | 71 Ų | 71 | 46.7 Ų | 46.7 | 31% | 0.311 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -42 | -177.1 | -80.4 | -105.2 | 0 | 0 | 0 | 114.1 | V125 Q126 R127 D254 D255 V269 L273 | V125-F252 HydrophobicContact CG2-CD2 3.92Å; V125-F252 HydrophobicContact CG2-CE2 3.65Å; Q126-F252 PolarHBondContact O-N 2.95Å; R127-F252 HydrophobicContact CB-CB 3.77Å; R127-F252 HydrophobicContact CB-CD1 4.47Å; R127-F252 HydrophobicContact CB-CD2 3.6Å; R127-F252 HydrophobicContact CB-CE2 4.29Å; R127-F252 HydrophobicContact CB-CG 3.69Å; R127-F252 HydrophobicContact CG-CD2 4.26Å; R127-F252 HydrophobicContact CG-CE2 4.49Å; F252-D254 PolarHBondContact O-N 2.91Å; F252-D255 PolarHBondContact O-N 3.19Å; F252-V269 HydrophobicContact CD1-CG1 4.39Å; F252-V269 HydrophobicContact CD2-CG1 3.91Å; F252-V269 HydrophobicContact CE1-CG1 4.07Å; F252-V269 HydrophobicContact CE2-CG1 3.56Å; F252-V269 HydrophobicContact CG-CG1 4.33Å; F252-V269 HydrophobicContact CZ-CG1 3.66Å; F252-L273 HydrophobicContact CE2-CD1 3.95Å; F252-L273 HydrophobicContact CZ-CD1 3.54Å |
| 253 | P | 94.5 | Very high | 94.3 | Very high | 73 Ų | 73 | 54 Ų | 54 | 47% | 0.474 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -35.2 | 174.6 | -30.4 | 32.3 | 0 | 0 | 0 | 114.7 | Q126 I137 N251 | Q126-P253 WeakPolarHBondContact O-CD 3.34Å; I137-P253 HydrophobicContact CD1-CB 4.39Å; I137-P253 HydrophobicContact CD1-CG 3.51Å; I137-P253 HydrophobicContact CG1-CG 4.17Å; N251-P253 VanDerWaalsContact OD1-CD 3.26Å; N251-P253 WeakPolarHBondContact OD1-CD 3.5Å |
| 254 | D | 95.5 | Very high | 95 | Very high | 87 Ų | 87 | 52.7 Ų | 52.7 | 47% | 0.465 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 0.8 | 179.8 | -68.3 | -7.8 | 0 | 0 | 0 | 113.1 | N251 F252 R256 | N251-D254 VanDerWaalsContact ND2-CG 3.34Å; N251-D254 PolarHBondContact ND2-OD2 3.46Å; F252-D254 PolarHBondContact O-N 2.91Å; D254-R256 HydrophobicContact CB-CB 4.14Å; D254-R256 PolarHBondContact O-N 3.39Å; D254-R256 IonicContact OD2-CZ 3.86Å; D254-R256 VanDerWaalsContact OD2-CZ 3.31Å; D254-R256 IonicContact OD2-NH1 2.89Å; D254-R256 PolarHBondContact OD2-NH1 2.92Å; D254-R256 IonicContact OD2-NH2 3.31Å; D254-R256 PolarHBondContact OD2-NH2 3.49Å |
| 255 | D | 96.5 | Very high | 95.4 | Very high | 65 Ų | 65 | 52.4 Ų | 52.4 | 35% | 0.348 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 43.5 | 46.1 | -169.3 | -168.3 | 32.3 | 0 | 0 | 0 | 113.4 | N251 F252 H268 V269 | N251-D255 PolarHBondContact O-N 3Å; F252-D255 PolarHBondContact O-N 3.19Å; D255-H268 PolarHBondContact O-N 3.46Å; D255-H268 VanDerWaalsContact OD1-CA 3.31Å; D255-H268 WeakPolarHBondContact OD1-CA 3.38Å; D255-H268 WeakPolarHBondContact OD2-CA 3.42Å; D255-H268 IonicContact OD2-CE1 3.8Å; D255-H268 IonicContact OD2-CG 3.86Å; D255-H268 IonicContact OD2-ND1 2.94Å; D255-H268 PolarHBondContact OD2-ND1 2.87Å; D255-V269 PolarHBondContact OD1-N 3.18Å |
| 256 | R | 97 | Very high | 95.7 | Very high | 72 Ų | 72 | 50 Ų | 50 | 27% | 0.272 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 140.6 | -172.7 | -170.2 | 174.5 | 75.2 | -116.2 | -7.9 | 114 | N251 D254 S258 D265 F266 V269 | N251-R256 WeakPolarHBondContact CA-O 3.36Å; N251-R256 WeakPolarHBondContact CB-O 3.36Å; N251-R256 PolarHBondContact N-O 2.8Å; N251-R256 PolarHBondContact O-N 3.28Å; D254-R256 HydrophobicContact CB-CB 4.14Å; D254-R256 PolarHBondContact O-N 3.39Å; D254-R256 IonicContact OD2-CZ 3.86Å; D254-R256 VanDerWaalsContact OD2-CZ 3.31Å; D254-R256 IonicContact OD2-NH1 2.89Å; D254-R256 PolarHBondContact OD2-NH1 2.92Å; D254-R256 IonicContact OD2-NH2 3.31Å; D254-R256 PolarHBondContact OD2-NH2 3.49Å; R256-S258 PolarHBondContact NE-OG 3.45Å; R256-D265 VanDerWaalsContact CD-CG 3.4Å; R256-D265 WeakPolarHBondContact CD-OD2 3.39Å; R256-D265 HydrophobicContact CG-CB 4.05Å; R256-D265 IonicContact NE-OD1 3.37Å; R256-D265 IonicContact NE-OD2 3.45Å; R256-D265 PolarHBondContact NE-OD2 2.95Å; R256-F266 CarbonylContact C-O 3.52Å; R256-F266 WeakPolarHBondContact CA-O 3.26Å; R256-F266 WeakPolarHBondContact CG-O 3.42Å; R256-V269 VanDerWaalsContact O-CG2 3.23Å; R256-V269 WeakPolarHBondContact O-CG2 3.36Å |
| 257 | V | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 122.3 | 167.8 | -178.1 | 0 | 0 | 0 | 0 | 108.8 | R248 T249 Y250 F266 V269 I272 L282 | R248-V257 VanDerWaalsContact CD-CG1 3.46Å; R248-V257 HydrophobicContact CG-CG1 3.63Å; T249-V257 CarbonylContact O-C 3.6Å; T249-V257 VanDerWaalsContact O-CA 3.3Å; T249-V257 WeakPolarHBondContact O-CA 3.43Å; Y250-V257 HydrophobicContact CD1-CB 4.45Å; Y250-V257 HydrophobicContact CD1-CG1 4.03Å; Y250-V257 HydrophobicContact CD1-CG2 3.55Å; Y250-V257 HydrophobicContact CE1-CG1 3.99Å; Y250-V257 HydrophobicContact CE1-CG2 4.03Å; Y250-V257 HydrophobicContact CG-CG1 4.5Å; Y250-V257 HydrophobicContact CG-CG2 4.32Å; V257-F266 HydrophobicContact CB-CB 4.37Å; V257-F266 PolarHBondContact N-O 3.46Å; V257-F266 PolarHBondContact O-N 2.97Å; V257-V269 HydrophobicContact CG2-CB 4.18Å; V257-V269 HydrophobicContact CG2-CG1 4.31Å; V257-V269 HydrophobicContact CG2-CG2 3.63Å; V257-I272 HydrophobicContact CB-CD1 3.9Å; V257-I272 HydrophobicContact CG2-CB 4.35Å; V257-I272 HydrophobicContact CG2-CD1 3.59Å; V257-I272 HydrophobicContact CG2-CG2 4.25Å; V257-L282 HydrophobicContact CG1-CD1 4.06Å |
| 258 | S | 97.3 | Very high | 95.7 | Very high | 15 Ų | 15 | 58.4 Ų | 58.4 | 11% | 0.105 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 121.4 | 179.9 | -57.4 | 0 | 0 | 0 | 0 | 110.1 | R248 T249 R256 D265 | R248-S258 CarbonylContact C-O 3.54Å; R248-S258 WeakPolarHBondContact CA-O 3.45Å; R248-S258 WeakPolarHBondContact CG-O 3.16Å; T249-S258 PolarHBondContact N-O 2.78Å; T249-S258 PolarHBondContact O-N 2.73Å; R256-S258 PolarHBondContact NE-OG 3.45Å; S258-D265 WeakPolarHBondContact CA-OD1 3.4Å; S258-D265 WeakPolarHBondContact CB-OD1 3.29Å; S258-D265 PolarHBondContact OG-OD1 3.47Å |
| 259 | D | 96.3 | Very high | 95.7 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 119.8 | 168.9 | -163.8 | -69.2 | 0 | 0 | 0 | 109.4 | R248 R261 K263 Q264 | R248-D259 IonicContact CZ-OD2 2.75Å; R248-D259 IonicContact NE-OD2 3.02Å; R248-D259 PolarHBondContact NE-OD2 2.93Å; R248-D259 IonicContact NH2-OD2 3.16Å; R248-D259 PolarHBondContact NH2-OD2 2.85Å; D259-R261 VanDerWaalsContact C-N 3.25Å; D259-R261 PolarHBondContact O-N 2.86Å; D259-R261 VanDerWaalsContact OD1-CB 3.31Å; D259-R261 WeakPolarHBondContact OD1-CB 3.12Å; D259-R261 IonicContact OD1-CZ 2.93Å; D259-R261 PolarHBondContact OD1-N 3.36Å; D259-R261 IonicContact OD1-NE 3.81Å; D259-R261 PolarHBondContact OD1-NE 3.33Å; D259-R261 VanDerWaalsContact OD1-NE 3.1Å; D259-R261 IonicContact OD1-NH2 2.76Å; D259-R261 IonicContact OD2-CZ 3.57Å; D259-R261 IonicContact OD2-NE 3.77Å; D259-R261 IonicContact OD2-NH2 3.66Å; D259-R261 PolarHBondContact OD2-NH2 3Å; D259-K263 WeakPolarHBondContact O-CA 3.33Å; D259-K263 PolarHBondContact O-N 3.46Å; D259-Q264 PolarHBondContact N-O 3.48Å |
| 260 | H | 95.1 | Very high | 95.5 | Very high | 76 Ų | 76 | 60.4 Ų | 60.4 | 35% | 0.352 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -12.3 | -173 | -64.5 | -77.4 | 0 | 0 | 0 | 112.9 | K246 I247 T249 | K246-H260 WeakPolarHBondContact CE-NE2 3.4Å; I247-H260 PolarHBondContact O-CD2 3.17Å; I247-H260 PolarHBondContact O-N 3.44Å; T249-H260 PolarHBondContact OG1-NE2 2.94Å |
| 261 | R | 93.1 | Very high | 95.4 | Very high | 67 Ų | 67 | 64.3 Ų | 64.3 | 25% | 0.253 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -50.2 | 179.9 | -56.9 | 169.1 | -67.6 | -178.3 | -4.9 | 110.1 | F118 D259 K263 Y289 | F118-R261 VanDerWaalsContact O-CZ 3.23Å; F118-R261 PolarHBondContact O-NH1 3.36Å; F118-R261 PolarHBondContact O-NH2 2.98Å; D259-R261 VanDerWaalsContact C-N 3.25Å; D259-R261 PolarHBondContact O-N 2.86Å; D259-R261 VanDerWaalsContact OD1-CB 3.31Å; D259-R261 WeakPolarHBondContact OD1-CB 3.12Å; D259-R261 IonicContact OD1-CZ 2.93Å; D259-R261 PolarHBondContact OD1-N 3.36Å; D259-R261 IonicContact OD1-NE 3.81Å; D259-R261 PolarHBondContact OD1-NE 3.33Å; D259-R261 VanDerWaalsContact OD1-NE 3.1Å; D259-R261 IonicContact OD1-NH2 2.76Å; D259-R261 IonicContact OD2-CZ 3.57Å; D259-R261 IonicContact OD2-NE 3.77Å; D259-R261 IonicContact OD2-NH2 3.66Å; D259-R261 PolarHBondContact OD2-NH2 3Å; R261-K263 VanDerWaalsContact C-N 3.33Å; R261-Y289 HydrophobicContact CB-CE1 4.21Å; R261-Y289 PolarHBondContact O-OH 2.92Å |
| 262 | T | 92.9 | Very high | 95.3 | Very high | 17 Ų | 17 | 63.4 Ų | 63.4 | 10% | 0.104 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -15.2 | 177.7 | 70.2 | 0 | 0 | 0 | 0 | 112.5 | Q264 D285 L286 Y289 | T262-Q264 PolarHBondContact O-N 3.16Å; T262-Q264 WeakPolarHBondContact OG1-CB 3.27Å; T262-Q264 WeakPolarHBondContact OG1-CG 3.31Å; T262-Q264 PolarHBondContact OG1-N 2.99Å; T262-D285 WeakPolarHBondContact CB-OD2 3.42Å; T262-D285 WeakPolarHBondContact CG2-OD2 3.43Å; T262-D285 PolarHBondContact OG1-OD2 3.36Å; T262-L286 HydrophobicContact CG2-CD2 3.72Å; T262-Y289 HydrophobicContact CG2-CD1 3.91Å; T262-Y289 HydrophobicContact CG2-CD2 4.13Å; T262-Y289 HydrophobicContact CG2-CG 3.61Å |
| 263 | K | 92.9 | Very high | 95.3 | Very high | 180 Ų | 180 | 61.1 Ų | 61.1 | 78% | 0.783 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 25.4 | -173.4 | -54.6 | 176.3 | -177.4 | 171.3 | 0 | 112.5 | D259 R261 | D259-K263 WeakPolarHBondContact O-CA 3.33Å; D259-K263 PolarHBondContact O-N 3.46Å; R261-K263 VanDerWaalsContact C-N 3.33Å |
| 264 | Q | 95.2 | Very high | 95.3 | Very high | 97 Ų | 97 | 60.3 Ų | 60.3 | 45% | 0.453 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 148 | 176.6 | -63.6 | -60.4 | -26.2 | 0 | 0 | 111.3 | D259 T262 F266 D285 | D259-Q264 PolarHBondContact N-O 3.48Å; T262-Q264 PolarHBondContact O-N 3.16Å; T262-Q264 WeakPolarHBondContact OG1-CB 3.27Å; T262-Q264 WeakPolarHBondContact OG1-CG 3.31Å; T262-Q264 PolarHBondContact OG1-N 2.99Å; Q264-F266 HydrophobicContact CB-CE2 3.88Å; Q264-F266 HydrophobicContact CB-CZ 4.03Å; Q264-D285 WeakPolarHBondContact CG-OD2 3.44Å |
| 265 | D | 95.6 | Very high | 95.1 | Very high | 92 Ų | 92 | 56.3 Ų | 56.3 | 49% | 0.492 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 125.6 | 179.8 | -83.4 | -19.1 | 0 | 0 | 0 | 109.6 | R256 S258 | R256-D265 VanDerWaalsContact CD-CG 3.4Å; R256-D265 WeakPolarHBondContact CD-OD2 3.39Å; R256-D265 HydrophobicContact CG-CB 4.05Å; R256-D265 IonicContact NE-OD1 3.37Å; R256-D265 IonicContact NE-OD2 3.45Å; R256-D265 PolarHBondContact NE-OD2 2.95Å; S258-D265 WeakPolarHBondContact CA-OD1 3.4Å; S258-D265 WeakPolarHBondContact CB-OD1 3.29Å; S258-D265 PolarHBondContact OG-OD1 3.47Å |
| 266 | F | 95.9 | Very high | 94.7 | Very high | 35 Ų | 35 | 54 Ų | 54 | 15% | 0.154 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 136.9 | 177.6 | -55.7 | -92.6 | 0 | 0 | 0 | 109 | R256 V257 Q264 I272 L282 D285 | R256-F266 CarbonylContact C-O 3.52Å; R256-F266 WeakPolarHBondContact CA-O 3.26Å; R256-F266 WeakPolarHBondContact CG-O 3.42Å; V257-F266 HydrophobicContact CB-CB 4.37Å; V257-F266 PolarHBondContact N-O 3.46Å; V257-F266 PolarHBondContact O-N 2.97Å; Q264-F266 HydrophobicContact CB-CE2 3.88Å; Q264-F266 HydrophobicContact CB-CZ 4.03Å; F266-I272 HydrophobicContact CB-CD1 3.65Å; F266-L282 HydrophobicContact CD1-CB 4.27Å; F266-L282 HydrophobicContact CD2-CD1 3.88Å; F266-L282 HydrophobicContact CD2-CG 4.08Å; F266-L282 HydrophobicContact CE1-CB 4.09Å; F266-L282 HydrophobicContact CE1-CG 4.43Å; F266-L282 HydrophobicContact CE2-CB 4.39Å; F266-L282 HydrophobicContact CE2-CD1 4.12Å; F266-L282 HydrophobicContact CE2-CG 3.84Å; F266-L282 HydrophobicContact CG-CD1 4.28Å; F266-L282 HydrophobicContact CG-CG 4.5Å; F266-L282 HydrophobicContact CZ-CB 4.16Å; F266-L282 HydrophobicContact CZ-CG 4.03Å; F266-D285 HydrophobicContact CE1-CB 4.34Å; F266-D285 HydrophobicContact CZ-CB 3.79Å |
| 267 | K | 94.5 | Very high | 94.3 | Very high | 159 Ų | 159 | 54.1 Ų | 54.1 | 69% | 0.691 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 164.6 | 179.6 | -63.6 | -178.7 | -179.5 | 178.2 | 0 | 110.8 | I272 | K267-I272 WeakPolarHBondContact O-CD1 3.43Å |
| 268 | H | 94.1 | Very high | 93.9 | Very high | 95 Ų | 95 | 57.8 Ų | 57.8 | 44% | 0.44 | 30% | 0.303 | S | S | . | . | trans | 68.2 | 68.6 | 173.5 | -51.1 | -46.8 | 0 | 0 | 0 | 113.2 | D255 G270 L271 I272 | D255-H268 PolarHBondContact O-N 3.46Å; D255-H268 VanDerWaalsContact OD1-CA 3.31Å; D255-H268 WeakPolarHBondContact OD1-CA 3.38Å; D255-H268 WeakPolarHBondContact OD2-CA 3.42Å; D255-H268 IonicContact OD2-CE1 3.8Å; D255-H268 IonicContact OD2-CG 3.86Å; D255-H268 IonicContact OD2-ND1 2.94Å; D255-H268 PolarHBondContact OD2-ND1 2.87Å; H268-G270 PolarHBondContact O-N 2.91Å; H268-L271 HydrophobicContact CB-CB 4.12Å; H268-L271 HydrophobicContact CB-CD1 3.85Å; H268-L271 HydrophobicContact CB-CG 4.06Å; H268-L271 PolarHBondContact O-N 3.48Å; H268-L271 VanDerWaalsContact O-N 3.09Å; H268-I272 WeakPolarHBondContact O-CG1 3.44Å; H268-I272 PolarHBondContact O-N 3.38Å; H268-I272 VanDerWaalsContact O-N 3.09Å | ||
| 269 | V | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -55.1 | -40.2 | -179.6 | 173.2 | 0 | 0 | 0 | 0 | 111.3 | Y250 F252 D255 R256 V257 L271 I272 L273 | Y250-V269 HydrophobicContact CD1-CG1 4.33Å; F252-V269 HydrophobicContact CD1-CG1 4.39Å; F252-V269 HydrophobicContact CD2-CG1 3.91Å; F252-V269 HydrophobicContact CE1-CG1 4.07Å; F252-V269 HydrophobicContact CE2-CG1 3.56Å; F252-V269 HydrophobicContact CG-CG1 4.33Å; F252-V269 HydrophobicContact CZ-CG1 3.66Å; D255-V269 PolarHBondContact OD1-N 3.18Å; R256-V269 VanDerWaalsContact O-CG2 3.23Å; R256-V269 WeakPolarHBondContact O-CG2 3.36Å; V257-V269 HydrophobicContact CG2-CB 4.18Å; V257-V269 HydrophobicContact CG2-CG1 4.31Å; V257-V269 HydrophobicContact CG2-CG2 3.63Å; V269-L271 PolarHBondContact O-N 2.86Å; V269-I272 PolarHBondContact O-N 3.39Å; V269-L273 HydrophobicContact CG1-CD1 3.77Å; V269-L273 HydrophobicContact CG1-CG 4.31Å; V269-L273 WeakPolarHBondContact O-CB 3.31Å; V269-L273 WeakPolarHBondContact O-CG 3.21Å; V269-L273 PolarHBondContact O-N 2.9Å |
| 270 | G | 95 | Very high | 93.5 | Very high | 45 Ų | 45 | 57.9 Ų | 57.9 | 46% | 0.464 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.6 | -40.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | H268 A274 | H268-G270 PolarHBondContact O-N 2.91Å; G270-A274 WeakPolarHBondContact O-CB 3.46Å; G270-A274 PolarHBondContact O-N 3.49Å |
| 271 | L | 94.5 | Very high | 93.3 | Very high | 83 Ų | 83 | 56.9 Ų | 56.9 | 44% | 0.435 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -71.8 | -39.2 | 178.2 | -63.7 | -179.7 | 0 | 0 | 0 | 111.5 | H268 V269 A274 E278 | H268-L271 HydrophobicContact CB-CB 4.12Å; H268-L271 HydrophobicContact CB-CD1 3.85Å; H268-L271 HydrophobicContact CB-CG 4.06Å; H268-L271 PolarHBondContact O-N 3.48Å; H268-L271 VanDerWaalsContact O-N 3.09Å; V269-L271 PolarHBondContact O-N 2.86Å; L271-A274 WeakPolarHBondContact O-CB 3.38Å; L271-A274 PolarHBondContact O-N 3.44Å; L271-E278 HydrophobicContact CB-CB 4.48Å; L271-E278 HydrophobicContact CB-CG 4.07Å; L271-E278 HydrophobicContact CD1-CG 4.36Å |
| 272 | I | 96 | Very high | 93.2 | Very high | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62 | -48.1 | 175.4 | -66.3 | 169.7 | 0 | 0 | 0 | 110.3 | M75 Y250 V257 F266 K267 H268 V269 A274 G275 E278 L279 | M75-I272 WeakPolarHBondContact CG-O 3.33Å; Y250-I272 HydrophobicContact CE1-CG2 4.34Å; V257-I272 HydrophobicContact CB-CD1 3.9Å; V257-I272 HydrophobicContact CG2-CB 4.35Å; V257-I272 HydrophobicContact CG2-CD1 3.59Å; V257-I272 HydrophobicContact CG2-CG2 4.25Å; F266-I272 HydrophobicContact CB-CD1 3.65Å; K267-I272 WeakPolarHBondContact O-CD1 3.43Å; H268-I272 WeakPolarHBondContact O-CG1 3.44Å; H268-I272 PolarHBondContact O-N 3.38Å; H268-I272 VanDerWaalsContact O-N 3.09Å; V269-I272 PolarHBondContact O-N 3.39Å; I272-A274 PolarHBondContact O-N 2.76Å; I272-G275 PolarHBondContact O-N 2.76Å; I272-E278 HydrophobicContact CG1-CB 4.24Å; I272-L279 HydrophobicContact CG2-CD1 3.8Å |
| 273 | L | 95.8 | Very high | 93.2 | Very high | 22 Ų | 22 | 53.1 Ų | 53.1 | 12% | 0.115 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.4 | -19.9 | 177.7 | -73.6 | 174.4 | 0 | 0 | 0 | 113.4 | L72 M75 Y250 F252 V269 G275 | L72-L273 HydrophobicContact CD2-CD2 4.25Å; M75-L273 WeakPolarHBondContact CA-O 3.27Å; M75-L273 VanDerWaalsContact CB-O 3.26Å; M75-L273 WeakPolarHBondContact CB-O 3.39Å; M75-L273 HydrophobicContact SD-CD2 3.96Å; Y250-L273 HydrophobicContact CD1-CD1 4.38Å; Y250-L273 HydrophobicContact CD1-CD2 3.83Å; Y250-L273 HydrophobicContact CD1-CG 4.03Å; Y250-L273 HydrophobicContact CE1-CD2 3.69Å; Y250-L273 HydrophobicContact CE1-CG 4.23Å; F252-L273 HydrophobicContact CE2-CD1 3.95Å; F252-L273 HydrophobicContact CZ-CD1 3.54Å; V269-L273 HydrophobicContact CG1-CD1 3.77Å; V269-L273 HydrophobicContact CG1-CG 4.31Å; V269-L273 WeakPolarHBondContact O-CB 3.31Å; V269-L273 WeakPolarHBondContact O-CG 3.21Å; V269-L273 PolarHBondContact O-N 2.9Å; L273-G275 PolarHBondContact O-N 2.84Å |
| 274 | A | 94.5 | Very high | 93.1 | Very high | 57 Ų | 57 | 47.8 Ų | 47.8 | 47% | 0.471 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -8.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113 | Q78 G270 L271 I272 G276 | Q78-A274 WeakPolarHBondContact CB-O 3.42Å; G270-A274 WeakPolarHBondContact O-CB 3.46Å; G270-A274 PolarHBondContact O-N 3.49Å; L271-A274 WeakPolarHBondContact O-CB 3.38Å; L271-A274 PolarHBondContact O-N 3.44Å; I272-A274 PolarHBondContact O-N 2.76Å; A274-G276 VanDerWaalsContact C-N 3.31Å; A274-G276 PolarHBondContact O-N 2.91Å |
| 275 | G | 91.1 | Very high | 93 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 22.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | M75 Y79 I272 L273 | M75-G275 WeakPolarHBondContact O-CA 3.41Å; Y79-G275 VanDerWaalsContact CA-O 3.26Å; Y79-G275 WeakPolarHBondContact CA-O 3.33Å; Y79-G275 PolarHBondContact N-O 3.25Å; I272-G275 PolarHBondContact O-N 2.76Å; L273-G275 PolarHBondContact O-N 2.84Å |
| 276 | G | 88.3 | Confident | 92.8 | Very high | 16 Ų | 16 | 41 Ų | 41 | 17% | 0.165 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -77.9 | -168.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | A274 E278 L279 | A274-G276 VanDerWaalsContact C-N 3.31Å; A274-G276 PolarHBondContact O-N 2.91Å; G276-E278 PolarHBondContact O-N 3.48Å; G276-L279 WeakPolarHBondContact O-CB 3.4Å; G276-L279 PolarHBondContact O-N 3.42Å; G276-L279 VanDerWaalsContact O-N 3.15Å |
| 277 | P | 88.7 | Confident | 92.5 | Very high | 76 Ų | 76 | 42.2 Ų | 42.2 | 49% | 0.494 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.1 | -23.4 | 178.4 | 26.1 | -34.8 | 0 | 0 | 0 | 113.6 | L279 A280 | P277-L279 VanDerWaalsContact C-N 3.25Å; P277-L279 PolarHBondContact O-N 2.86Å; P277-A280 VanDerWaalsContact O-CB 3.27Å; P277-A280 WeakPolarHBondContact O-CB 3.38Å; P277-A280 PolarHBondContact O-N 2.96Å; P277-A280 VanDerWaalsContact O-N 3.09Å |
| 278 | E | 90 | Very high | 92.1 | Very high | 76 Ų | 76 | 39.3 Ų | 39.3 | 36% | 0.355 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.1 | -33.2 | 176.4 | -65.3 | 78.2 | -175.5 | 0 | 0 | 112.1 | L271 I272 G276 A280 A281 | L271-E278 HydrophobicContact CB-CB 4.48Å; L271-E278 HydrophobicContact CB-CG 4.07Å; L271-E278 HydrophobicContact CD1-CG 4.36Å; I272-E278 HydrophobicContact CG1-CB 4.24Å; G276-E278 PolarHBondContact O-N 3.48Å; E278-A280 VanDerWaalsContact C-N 3.26Å; E278-A280 PolarHBondContact O-N 3.44Å; E278-A281 PolarHBondContact O-N 3.47Å |
| 279 | L | 92.3 | Very high | 92 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.6 | -29.5 | 176.2 | -175.1 | 62.3 | 0 | 0 | 0 | 111.7 | M75 Y79 I272 G276 P277 A281 L282 F283 | M75-L279 HydrophobicContact CE-CD1 4.5Å; M75-L279 HydrophobicContact CE-CD2 4.24Å; M75-L279 HydrophobicContact CG-CD2 3.75Å; M75-L279 HydrophobicContact SD-CD1 4.11Å; M75-L279 HydrophobicContact SD-CD2 4.01Å; Y79-L279 HydrophobicContact CD2-CB 4.09Å; Y79-L279 HydrophobicContact CD2-CD2 3.77Å; Y79-L279 HydrophobicContact CD2-CG 4.11Å; Y79-L279 HydrophobicContact CE2-CB 4.41Å; Y79-L279 HydrophobicContact CE2-CG 4.47Å; Y79-L279 HydrophobicContact CG-CD2 3.9Å; I272-L279 HydrophobicContact CG2-CD1 3.8Å; G276-L279 WeakPolarHBondContact O-CB 3.4Å; G276-L279 PolarHBondContact O-N 3.42Å; G276-L279 VanDerWaalsContact O-N 3.15Å; P277-L279 VanDerWaalsContact C-N 3.25Å; P277-L279 PolarHBondContact O-N 2.86Å; L279-A281 VanDerWaalsContact C-N 3.28Å; L279-A281 PolarHBondContact O-N 3.03Å; L279-L282 WeakPolarHBondContact O-CB 3.38Å; L279-L282 PolarHBondContact O-N 3.43Å; L279-F283 HydrophobicContact CD1-CD1 4.47Å; L279-F283 HydrophobicContact CD1-CE1 3.67Å; L279-F283 HydrophobicContact CD1-CE2 4.45Å; L279-F283 HydrophobicContact CD1-CZ 3.69Å; L279-F283 HydrophobicContact CD2-CE1 4.44Å; L279-F283 HydrophobicContact CD2-CE2 3.97Å; L279-F283 HydrophobicContact CD2-CZ 3.62Å; L279-F283 HydrophobicContact CG-CD2 4.45Å; L279-F283 HydrophobicContact CG-CE1 3.88Å; L279-F283 HydrophobicContact CG-CE2 3.76Å; L279-F283 HydrophobicContact CG-CZ 3.44Å; L279-F283 VanDerWaalsContact CG-CZ 3.44Å; L279-F283 PolarHBondContact O-N 3.22Å; L279-F283 VanDerWaalsContact O-N 3.16Å |
| 280 | A | 91.7 | Very high | 91.6 | Very high | 19 Ų | 19 | 39.9 Ų | 39.9 | 16% | 0.157 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65 | -32.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y79 P277 E278 L282 F283 T284 | Y79-A280 HydrophobicContact CE2-CB 4.11Å; P277-A280 VanDerWaalsContact O-CB 3.27Å; P277-A280 WeakPolarHBondContact O-CB 3.38Å; P277-A280 PolarHBondContact O-N 2.96Å; P277-A280 VanDerWaalsContact O-N 3.09Å; E278-A280 VanDerWaalsContact C-N 3.26Å; E278-A280 PolarHBondContact O-N 3.44Å; A280-L282 VanDerWaalsContact C-N 3.31Å; A280-F283 PolarHBondContact O-N 2.79Å; A280-T284 WeakPolarHBondContact O-CB 3.34Å; A280-T284 PolarHBondContact O-N 3.44Å; A280-T284 PolarHBondContact O-OG1 3.28Å |
| 281 | A | 90.9 | Very high | 91.2 | Very high | 55 Ų | 55 | 40.3 Ų | 40.3 | 46% | 0.455 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.6 | -39.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | E278 L279 T284 D285 | E278-A281 PolarHBondContact O-N 3.47Å; L279-A281 VanDerWaalsContact C-N 3.28Å; L279-A281 PolarHBondContact O-N 3.03Å; A281-T284 PolarHBondContact O-N 3.04Å; A281-D285 PolarHBondContact O-N 2.88Å; A281-D285 VanDerWaalsContact O-N 3.09Å |
| 282 | L | 92.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.2 | -46.1 | 175.2 | -170.5 | 156.4 | 0 | 0 | 0 | 111.2 | V257 F266 L279 A280 T284 D285 L286 | V257-L282 HydrophobicContact CG1-CD1 4.06Å; F266-L282 HydrophobicContact CD1-CB 4.27Å; F266-L282 HydrophobicContact CD2-CD1 3.88Å; F266-L282 HydrophobicContact CD2-CG 4.08Å; F266-L282 HydrophobicContact CE1-CB 4.09Å; F266-L282 HydrophobicContact CE1-CG 4.43Å; F266-L282 HydrophobicContact CE2-CB 4.39Å; F266-L282 HydrophobicContact CE2-CD1 4.12Å; F266-L282 HydrophobicContact CE2-CG 3.84Å; F266-L282 HydrophobicContact CG-CD1 4.28Å; F266-L282 HydrophobicContact CG-CG 4.5Å; F266-L282 HydrophobicContact CZ-CB 4.16Å; F266-L282 HydrophobicContact CZ-CG 4.03Å; L279-L282 WeakPolarHBondContact O-CB 3.38Å; L279-L282 PolarHBondContact O-N 3.43Å; A280-L282 VanDerWaalsContact C-N 3.31Å; L282-T284 VanDerWaalsContact C-N 3.31Å; L282-T284 PolarHBondContact O-N 3.34Å; L282-D285 WeakPolarHBondContact O-CB 3.36Å; L282-D285 PolarHBondContact O-N 2.9Å; L282-L286 HydrophobicContact CD2-CD1 3.65Å; L282-L286 HydrophobicContact CD2-CG 4.27Å; L282-L286 WeakPolarHBondContact O-CG 3.47Å; L282-L286 PolarHBondContact O-N 2.91Å; L282-L286 VanDerWaalsContact O-N 3.17Å |
| 283 | F | 93 | Very high | 90.4 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.018 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.9 | -35.7 | 178.8 | -61.5 | -16.6 | 0 | 0 | 0 | 112.5 | Y76 Y79 L116 E119 L279 A280 L286 Q287 | Y76-F283 HydrophobicContact CE1-CZ 4.29Å; Y79-F283 HydrophobicContact CD1-CD2 4.47Å; Y79-F283 AromaticContact CD1-CE2 3.72Å; Y79-F283 HydrophobicContact CD1-CE2 3.72Å; Y79-F283 HydrophobicContact CD2-CE2 4.14Å; Y79-F283 AromaticContact CE1-CD2 3.73Å; Y79-F283 HydrophobicContact CE1-CD2 3.73Å; Y79-F283 AromaticContact CE1-CE2 3.41Å; Y79-F283 HydrophobicContact CE1-CE2 3.41Å; Y79-F283 VanDerWaalsContact CE1-CE2 3.41Å; Y79-F283 HydrophobicContact CE2-CD2 4.01Å; Y79-F283 AromaticContact CE2-CE2 3.87Å; Y79-F283 HydrophobicContact CE2-CE2 3.87Å; Y79-F283 HydrophobicContact CG-CE2 4.06Å; Y79-F283 AromaticContact CZ-CD2 3.45Å; Y79-F283 VanDerWaalsContact CZ-CD2 3.45Å; Y79-F283 AromaticContact CZ-CE2 3.49Å; Y79-F283 VanDerWaalsContact CZ-CE2 3.49Å; Y79-F283 WeakPolarHBondContact OH-CD2 3.17Å; L116-F283 HydrophobicContact CD2-CD2 4.27Å; L116-F283 HydrophobicContact CD2-CE2 3.5Å; L116-F283 VanDerWaalsContact CD2-CE2 3.5Å; L116-F283 HydrophobicContact CD2-CZ 3.69Å; E119-F283 HydrophobicContact CG-CD1 4.27Å; E119-F283 HydrophobicContact CG-CE1 3.62Å; E119-F283 HydrophobicContact CG-CZ 4.01Å; E119-F283 VanDerWaalsContact OE1-CE1 3.31Å; E119-F283 WeakPolarHBondContact OE1-CE1 3.41Å; L279-F283 HydrophobicContact CD1-CD1 4.47Å; L279-F283 HydrophobicContact CD1-CE1 3.67Å; L279-F283 HydrophobicContact CD1-CE2 4.45Å; L279-F283 HydrophobicContact CD1-CZ 3.69Å; L279-F283 HydrophobicContact CD2-CE1 4.44Å; L279-F283 HydrophobicContact CD2-CE2 3.97Å; L279-F283 HydrophobicContact CD2-CZ 3.62Å; L279-F283 HydrophobicContact CG-CD2 4.45Å; L279-F283 HydrophobicContact CG-CE1 3.88Å; L279-F283 HydrophobicContact CG-CE2 3.76Å; L279-F283 HydrophobicContact CG-CZ 3.44Å; L279-F283 VanDerWaalsContact CG-CZ 3.44Å; L279-F283 PolarHBondContact O-N 3.22Å; L279-F283 VanDerWaalsContact O-N 3.16Å; A280-F283 PolarHBondContact O-N 2.79Å; F283-L286 HydrophobicContact CD1-CD1 4.47Å; F283-L286 PolarHBondContact O-N 3.29Å; F283-Q287 WeakPolarHBondContact O-CG 3.24Å; F283-Q287 PolarHBondContact O-N 2.95Å |
| 284 | T | 90.8 | Very high | 90 | Very high | 68 Ų | 68 | 46.7 Ų | 46.7 | 42% | 0.417 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 175.4 | -55.9 | 0 | 0 | 0 | 0 | 111.3 | A280 A281 L282 L286 Q287 M288 | A280-T284 WeakPolarHBondContact O-CB 3.34Å; A280-T284 PolarHBondContact O-N 3.44Å; A280-T284 PolarHBondContact O-OG1 3.28Å; A281-T284 PolarHBondContact O-N 3.04Å; L282-T284 VanDerWaalsContact C-N 3.31Å; L282-T284 PolarHBondContact O-N 3.34Å; T284-L286 VanDerWaalsContact C-N 3.32Å; T284-L286 PolarHBondContact O-N 3.08Å; T284-Q287 PolarHBondContact O-N 3.33Å; T284-M288 WeakPolarHBondContact O-CG 3.49Å; T284-M288 PolarHBondContact O-N 2.87Å |
| 285 | D | 92.3 | Very high | 89.6 | Confident | 41 Ų | 41 | 45.3 Ų | 45.3 | 22% | 0.219 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.9 | -43.9 | 175.3 | -177.5 | 63.8 | 0 | 0 | 0 | 111.7 | T262 Q264 F266 A281 L282 Q287 M288 Y289 | T262-D285 WeakPolarHBondContact CB-OD2 3.42Å; T262-D285 WeakPolarHBondContact CG2-OD2 3.43Å; T262-D285 PolarHBondContact OG1-OD2 3.36Å; Q264-D285 WeakPolarHBondContact CG-OD2 3.44Å; F266-D285 HydrophobicContact CE1-CB 4.34Å; F266-D285 HydrophobicContact CZ-CB 3.79Å; A281-D285 PolarHBondContact O-N 2.88Å; A281-D285 VanDerWaalsContact O-N 3.09Å; L282-D285 WeakPolarHBondContact O-CB 3.36Å; L282-D285 PolarHBondContact O-N 2.9Å; D285-Q287 PolarHBondContact O-N 3.26Å; D285-M288 PolarHBondContact O-N 3.36Å; D285-Y289 WeakPolarHBondContact O-CB 3.41Å; D285-Y289 PolarHBondContact O-N 3.43Å |
| 286 | L | 91.7 | Very high | 89.4 | Confident | 5 Ų | 5 | 50 Ų | 50 | 3% | 0.026 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.8 | -41.6 | 177.3 | -68.7 | 174.1 | 0 | 0 | 0 | 113.1 | F118 E119 T262 L282 F283 T284 Y289 S290 | F118-L286 HydrophobicContact CB-CB 4.02Å; F118-L286 HydrophobicContact CB-CD1 3.97Å; F118-L286 HydrophobicContact CB-CG 4.48Å; F118-L286 HydrophobicContact CD2-CB 4.27Å; F118-L286 HydrophobicContact CG-CB 4.31Å; E119-L286 VanDerWaalsContact OE1-CD1 3.31Å; E119-L286 WeakPolarHBondContact OE1-CD1 3.42Å; T262-L286 HydrophobicContact CG2-CD2 3.72Å; L282-L286 HydrophobicContact CD2-CD1 3.65Å; L282-L286 HydrophobicContact CD2-CG 4.27Å; L282-L286 WeakPolarHBondContact O-CG 3.47Å; L282-L286 PolarHBondContact O-N 2.91Å; L282-L286 VanDerWaalsContact O-N 3.17Å; F283-L286 HydrophobicContact CD1-CD1 4.47Å; F283-L286 PolarHBondContact O-N 3.29Å; T284-L286 VanDerWaalsContact C-N 3.32Å; T284-L286 PolarHBondContact O-N 3.08Å; L286-Y289 PolarHBondContact O-N 2.97Å; L286-S290 WeakPolarHBondContact O-CB 3.41Å; L286-S290 PolarHBondContact O-N 3.43Å |
| 287 | Q | 88.6 | Confident | 89.4 | Confident | 61 Ų | 61 | 52.2 Ų | 52.2 | 29% | 0.285 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 176 | -74.6 | 175.9 | -22.6 | 0 | 0 | 111.2 | E114 F118 F283 T284 D285 S290 R291 | E114-Q287 PolarHBondContact O-NE2 3.36Å; F118-Q287 HydrophobicContact CD2-CG 4.27Å; F118-Q287 HydrophobicContact CE2-CG 3.92Å; F283-Q287 WeakPolarHBondContact O-CG 3.24Å; F283-Q287 PolarHBondContact O-N 2.95Å; T284-Q287 PolarHBondContact O-N 3.33Å; D285-Q287 PolarHBondContact O-N 3.26Å; Q287-S290 PolarHBondContact O-N 3.39Å; Q287-R291 WeakPolarHBondContact O-CB 3.43Å; Q287-R291 PolarHBondContact O-N 3.42Å |
| 288 | M | 87.7 | Confident | 89.3 | Confident | 98 Ų | 98 | 51.3 Ų | 51.3 | 48% | 0.483 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.8 | -42 | 176.7 | -69.1 | -63.3 | 170.8 | 0 | 0 | 111.8 | T284 D285 R291 H292 | T284-M288 WeakPolarHBondContact O-CG 3.49Å; T284-M288 PolarHBondContact O-N 2.87Å; D285-M288 PolarHBondContact O-N 3.36Å; M288-R291 PolarHBondContact O-N 2.91Å; M288-H292 WeakPolarHBondContact O-CB 3.37Å; M288-H292 PolarHBondContact O-N 3.12Å |
| 289 | Y | 90.2 | Very high | 89.1 | Confident | 86 Ų | 86 | 53.5 Ų | 53.5 | 34% | 0.337 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63 | -45 | 176 | -179.3 | -106.2 | 0 | 0 | 0 | 112.2 | R261 T262 D285 L286 R291 H292 L293 | R261-Y289 HydrophobicContact CB-CE1 4.21Å; R261-Y289 PolarHBondContact O-OH 2.92Å; T262-Y289 HydrophobicContact CG2-CD1 3.91Å; T262-Y289 HydrophobicContact CG2-CD2 4.13Å; T262-Y289 HydrophobicContact CG2-CG 3.61Å; D285-Y289 WeakPolarHBondContact O-CB 3.41Å; D285-Y289 PolarHBondContact O-N 3.43Å; L286-Y289 PolarHBondContact O-N 2.97Å; Y289-R291 PolarHBondContact O-N 2.56Å; Y289-H292 WeakPolarHBondContact O-CB 3.48Å; Y289-H292 PolarHBondContact O-N 2.89Å; Y289-L293 HydrophobicContact CD1-CD1 3.98Å; Y289-L293 HydrophobicContact CE1-CD1 3.43Å; Y289-L293 VanDerWaalsContact CE1-CD1 3.43Å; Y289-L293 HydrophobicContact CE1-CG 4.12Å; Y289-L293 WeakPolarHBondContact O-CG 3.37Å; Y289-L293 PolarHBondContact O-N 2.86Å |
| 290 | S | 88 | Confident | 88.9 | Confident | 22 Ų | 22 | 57.2 Ų | 57.2 | 15% | 0.154 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.1 | -45.3 | 175.5 | -179.5 | 0 | 0 | 0 | 0 | 111.8 | F118 L286 Q287 H292 L293 R294 | F118-S290 VanDerWaalsContact CE1-OG 3.26Å; F118-S290 WeakPolarHBondContact CE1-OG 3.48Å; F118-S290 WeakPolarHBondContact CZ-OG 3.4Å; L286-S290 WeakPolarHBondContact O-CB 3.41Å; L286-S290 PolarHBondContact O-N 3.43Å; Q287-S290 PolarHBondContact O-N 3.39Å; S290-H292 VanDerWaalsContact C-N 3.33Å; S290-H292 PolarHBondContact O-N 3.49Å; S290-L293 PolarHBondContact O-N 3.26Å; S290-R294 VanDerWaalsContact O-CG 3.31Å; S290-R294 WeakPolarHBondContact O-CG 3.39Å; S290-R294 PolarHBondContact O-N 2.86Å |
| 291 | R | 86.4 | Confident | 88.7 | Confident | 54 Ų | 54 | 62.7 Ų | 62.7 | 20% | 0.204 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.7 | -45 | 174.7 | 174.7 | 171.2 | 165.2 | 165.8 | -15.8 | 111.7 | F37 D38 L41 Q287 M288 Y289 R294 L295 | F37-R291 VanDerWaalsContact CB-CZ 3.45Å; F37-R291 VanDerWaalsContact CG-NH2 3.27Å; D38-R291 IonicContact OD1-NH1 2.92Å; L41-R291 HydrophobicContact CD1-CG 3.7Å; Q287-R291 WeakPolarHBondContact O-CB 3.43Å; Q287-R291 PolarHBondContact O-N 3.42Å; M288-R291 PolarHBondContact O-N 2.91Å; Y289-R291 PolarHBondContact O-N 2.56Å; R291-R294 PolarHBondContact O-N 3.13Å; R291-L295 HydrophobicContact CG-CD1 4.21Å; R291-L295 WeakPolarHBondContact O-CG 3.42Å; R291-L295 PolarHBondContact O-N 3.22Å |
| 292 | H | 87.3 | Confident | 88.5 | Confident | 94 Ų | 94 | 62 Ų | 62 | 44% | 0.435 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.7 | -47.9 | 177 | 179.8 | 62.5 | 0 | 0 | 0 | 112.1 | M288 Y289 S290 R294 L295 E296 | M288-H292 WeakPolarHBondContact O-CB 3.37Å; M288-H292 PolarHBondContact O-N 3.12Å; Y289-H292 WeakPolarHBondContact O-CB 3.48Å; Y289-H292 PolarHBondContact O-N 2.89Å; S290-H292 VanDerWaalsContact C-N 3.33Å; S290-H292 PolarHBondContact O-N 3.49Å; H292-R294 VanDerWaalsContact C-N 3.32Å; H292-R294 PolarHBondContact O-N 3.3Å; H292-L295 WeakPolarHBondContact O-CB 3.38Å; H292-L295 PolarHBondContact O-N 3.48Å; H292-L295 VanDerWaalsContact O-N 3.15Å; H292-E296 IonicContact CE1-OE1 2.7Å; H292-E296 IonicContact NE2-OE1 3.55Å; H292-E296 PolarHBondContact NE2-OE1 3.18Å; H292-E296 PolarHBondContact O-N 2.93Å |
| 293 | L | 87.3 | Confident | 88.2 | Confident | 75 Ų | 75 | 67.5 Ų | 67.5 | 39% | 0.393 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60 | -40.1 | 177.6 | -70.4 | 177.8 | 0 | 0 | 0 | 112.9 | Y289 S290 L295 E296 A297 | Y289-L293 HydrophobicContact CD1-CD1 3.98Å; Y289-L293 HydrophobicContact CE1-CD1 3.43Å; Y289-L293 VanDerWaalsContact CE1-CD1 3.43Å; Y289-L293 HydrophobicContact CE1-CG 4.12Å; Y289-L293 WeakPolarHBondContact O-CG 3.37Å; Y289-L293 PolarHBondContact O-N 2.86Å; S290-L293 PolarHBondContact O-N 3.26Å; L293-L295 VanDerWaalsContact C-N 3.33Å; L293-E296 PolarHBondContact O-N 3.4Å; L293-A297 WeakPolarHBondContact O-CB 3.49Å; L293-A297 PolarHBondContact O-N 2.81Å |
| 294 | R | 86.4 | Confident | 88 | Confident | 72 Ų | 72 | 73.6 Ų | 73.6 | 27% | 0.272 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.7 | -36.4 | 178.2 | -66.4 | 171.7 | 104.6 | -170.5 | -5.8 | 111.5 | L41 P42 N44 D47 S290 R291 H292 A297 L298 | L41-R294 HydrophobicContact CD2-CB 3.84Å; P42-R294 PolarHBondContact O-NH2 3.43Å; N44-R294 PolarHBondContact ND2-NH2 2.93Å; N44-R294 VanDerWaalsContact ND2-NH2 3.13Å; N44-R294 PolarHBondContact OD1-NH2 3.33Å; D47-R294 IonicContact OD2-NH1 3.8Å; S290-R294 VanDerWaalsContact O-CG 3.31Å; S290-R294 WeakPolarHBondContact O-CG 3.39Å; S290-R294 PolarHBondContact O-N 2.86Å; R291-R294 PolarHBondContact O-N 3.13Å; H292-R294 VanDerWaalsContact C-N 3.32Å; H292-R294 PolarHBondContact O-N 3.3Å; R294-A297 PolarHBondContact O-N 3.43Å; R294-L298 WeakPolarHBondContact O-CB 3.48Å; R294-L298 PolarHBondContact O-N 2.86Å |
| 295 | L | 86.6 | Confident | 87.7 | Confident | 27 Ų | 27 | 76.4 Ų | 76.4 | 14% | 0.141 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -67 | -43.9 | 174.4 | -71 | 167 | 0 | 0 | 0 | 112.2 | F37 L41 R291 H292 L293 A297 L298 L299 | F37-L295 HydrophobicContact CD1-CD1 3.6Å; F37-L295 HydrophobicContact CD1-CD2 3.53Å; F37-L295 HydrophobicContact CD1-CG 4.21Å; F37-L295 HydrophobicContact CE1-CD1 3.53Å; F37-L295 HydrophobicContact CE1-CD2 3.78Å; F37-L295 HydrophobicContact CE1-CG 4.31Å; F37-L295 HydrophobicContact CG-CD1 4.42Å; F37-L295 HydrophobicContact CZ-CD1 4.3Å; L41-L295 HydrophobicContact CD1-CD1 4.34Å; L41-L295 HydrophobicContact CD1-CD2 3.83Å; L41-L295 HydrophobicContact CD1-CG 3.81Å; L41-L295 HydrophobicContact CD2-CD2 3.7Å; L41-L295 HydrophobicContact CD2-CG 4.04Å; L41-L295 HydrophobicContact CG-CD2 3.78Å; L41-L295 HydrophobicContact CG-CG 4.23Å; R291-L295 HydrophobicContact CG-CD1 4.21Å; R291-L295 WeakPolarHBondContact O-CG 3.42Å; R291-L295 PolarHBondContact O-N 3.22Å; H292-L295 WeakPolarHBondContact O-CB 3.38Å; H292-L295 PolarHBondContact O-N 3.48Å; H292-L295 VanDerWaalsContact O-N 3.15Å; L293-L295 VanDerWaalsContact C-N 3.33Å; L295-A297 VanDerWaalsContact C-N 3.32Å; L295-A297 PolarHBondContact O-N 2.83Å; L295-L298 PolarHBondContact O-N 3.33Å; L295-L299 WeakPolarHBondContact O-CB 3.2Å; L295-L299 WeakPolarHBondContact O-CG 3.29Å; L295-L299 PolarHBondContact O-N 2.99Å |
| 296 | E | 88 | Confident | 87.2 | Confident | 101 Ų | 101 | 80.3 Ų | 80.3 | 47% | 0.472 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.5 | -43.7 | 175.8 | -71.1 | -165.7 | 144.2 | 0 | 0 | 111.6 | H292 L293 L298 L299 S300 | H292-E296 IonicContact CE1-OE1 2.7Å; H292-E296 IonicContact NE2-OE1 3.55Å; H292-E296 PolarHBondContact NE2-OE1 3.18Å; H292-E296 PolarHBondContact O-N 2.93Å; L293-E296 PolarHBondContact O-N 3.4Å; E296-L298 VanDerWaalsContact C-N 3.34Å; E296-L298 PolarHBondContact O-N 2.82Å; E296-L299 PolarHBondContact O-N 2.9Å; E296-S300 WeakPolarHBondContact O-CB 3.34Å; E296-S300 PolarHBondContact O-N 2.75Å |
| 297 | A | 87.1 | Confident | 86.5 | Confident | 63 Ų | 63 | 87.1 Ų | 87.1 | 52% | 0.521 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.3 | -43.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | L293 R294 L295 S300 W301 | L293-A297 WeakPolarHBondContact O-CB 3.49Å; L293-A297 PolarHBondContact O-N 2.81Å; R294-A297 PolarHBondContact O-N 3.43Å; L295-A297 VanDerWaalsContact C-N 3.32Å; L295-A297 PolarHBondContact O-N 2.83Å; A297-S300 PolarHBondContact O-N 2.82Å; A297-W301 WeakPolarHBondContact O-CB 3.34Å; A297-W301 PolarHBondContact O-N 2.88Å |
| 298 | L | 86.5 | Confident | 85.4 | Confident | 57 Ų | 57 | 90.4 Ų | 90.4 | 30% | 0.298 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.9 | -45.3 | 177.2 | -179.1 | 67.7 | 0 | 0 | 0 | 112.2 | I40 R294 L295 E296 S300 W301 C302 | I40-L298 HydrophobicContact CG2-CD2 3.16Å; R294-L298 WeakPolarHBondContact O-CB 3.48Å; R294-L298 PolarHBondContact O-N 2.86Å; L295-L298 PolarHBondContact O-N 3.33Å; E296-L298 VanDerWaalsContact C-N 3.34Å; E296-L298 PolarHBondContact O-N 2.82Å; L298-S300 VanDerWaalsContact C-N 3.33Å; L298-S300 PolarHBondContact O-N 2.82Å; L298-W301 HydrophobicContact CD1-CE3 4.33Å; L298-W301 PolarHBondContact O-N 3.05Å; L298-C302 WeakPolarHBondContact O-CB 3.38Å; L298-C302 PolarHBondContact O-N 2.79Å; L298-C302 PolarHBondContact O-SG 2.87Å |
| 299 | L | 86.7 | Confident | 84 | Confident | 121 Ų | 121 | 92.3 Ų | 92.3 | 63% | 0.634 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -62.4 | -41.9 | 178.3 | -73.6 | 173.1 | 0 | 0 | 0 | 111.4 | L295 E296 C302 H303 | L295-L299 WeakPolarHBondContact O-CB 3.2Å; L295-L299 WeakPolarHBondContact O-CG 3.29Å; L295-L299 PolarHBondContact O-N 2.99Å; E296-L299 PolarHBondContact O-N 2.9Å; L299-C302 PolarHBondContact O-N 2.77Å; L299-H303 WeakPolarHBondContact O-CB 3.37Å; L299-H303 PolarHBondContact O-N 3.31Å |
| 300 | S | 88.5 | Confident | 82.6 | Confident | 79 Ų | 79 | 94 Ų | 94 | 55% | 0.552 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -59.7 | -47.7 | 174.5 | -173.6 | 0 | 0 | 0 | 0 | 111.4 | E296 A297 L298 C302 H303 E304 | E296-S300 WeakPolarHBondContact O-CB 3.34Å; E296-S300 PolarHBondContact O-N 2.75Å; A297-S300 PolarHBondContact O-N 2.82Å; L298-S300 VanDerWaalsContact C-N 3.33Å; L298-S300 PolarHBondContact O-N 2.82Å; S300-C302 PolarHBondContact O-N 3.21Å; S300-H303 PolarHBondContact O-N 2.76Å; S300-E304 PolarHBondContact O-N 2.94Å |
| 301 | W | 86.3 | Confident | 81 | Confident | 134 Ų | 134 | 105.4 Ų | 105.4 | 51% | 0.508 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.2 | -44.5 | 176.1 | 177.1 | 90.5 | 0 | 0 | 0 | 112.5 | A297 L298 E304 K305 | A297-W301 WeakPolarHBondContact O-CB 3.34Å; A297-W301 PolarHBondContact O-N 2.88Å; L298-W301 HydrophobicContact CD1-CE3 4.33Å; L298-W301 PolarHBondContact O-N 3.05Å; W301-E304 PolarHBondContact O-N 2.75Å; W301-K305 HydrophobicContact CD2-CG 4.02Å; W301-K305 HydrophobicContact CE3-CG 4.42Å; W301-K305 HydrophobicContact CH2-CG 4.2Å; W301-K305 HydrophobicContact CZ2-CD 4.33Å; W301-K305 HydrophobicContact CZ2-CG 3.79Å; W301-K305 HydrophobicContact CZ3-CG 4.49Å; W301-K305 WeakPolarHBondContact O-CB 3.4Å; W301-K305 WeakPolarHBondContact O-CG 3.32Å; W301-K305 PolarHBondContact O-N 2.92Å |
| 302 | C | 86.6 | Confident | 80.7 | Confident | 39 Ų | 39 | 108 Ų | 108 | 26% | 0.264 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.9 | -47.2 | 175.4 | -77.9 | 0 | 0 | 0 | 0 | 111 | L298 L299 S300 E304 K305 F306 | L298-C302 WeakPolarHBondContact O-CB 3.38Å; L298-C302 PolarHBondContact O-N 2.79Å; L298-C302 PolarHBondContact O-SG 2.87Å; L299-C302 PolarHBondContact O-N 2.77Å; S300-C302 PolarHBondContact O-N 3.21Å; C302-E304 VanDerWaalsContact C-N 3.32Å; C302-E304 PolarHBondContact O-N 3.42Å; C302-K305 PolarHBondContact O-N 3.35Å; C302-F306 HydrophobicContact CB-CD2 4.31Å; C302-F306 HydrophobicContact CB-CE2 4.5Å; C302-F306 WeakPolarHBondContact O-CD2 3.07Å; C302-F306 PolarHBondContact O-N 3.44Å |
| 303 | H | 86.3 | Confident | 80.4 | Confident | 116 Ų | 116 | 108.7 Ų | 108.7 | 54% | 0.537 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -57.6 | -46.4 | 178.4 | -173.2 | 74.3 | 0 | 0 | 0 | 111.3 | L299 S300 K307 | L299-H303 WeakPolarHBondContact O-CB 3.37Å; L299-H303 PolarHBondContact O-N 3.31Å; S300-H303 PolarHBondContact O-N 2.76Å; H303-K307 PolarHBondContact NE2-NZ 3.4Å; H303-K307 WeakPolarHBondContact O-CB 3.3Å; H303-K307 PolarHBondContact O-N 2.71Å |
| 304 | E | 88 | Confident | 80 | Confident | 133 Ų | 133 | 110.6 Ų | 110.6 | 62% | 0.621 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.9 | -42.2 | 178.7 | -167.9 | -179 | -178.4 | 0 | 0 | 112.5 | S300 W301 C302 | S300-E304 PolarHBondContact O-N 2.94Å; W301-E304 PolarHBondContact O-N 2.75Å; C302-E304 VanDerWaalsContact C-N 3.32Å; C302-E304 PolarHBondContact O-N 3.42Å |
| 305 | K | 85.8 | Confident | 79.6 | Confident | 126 Ų | 126 | 112.8 Ų | 112.8 | 55% | 0.548 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68.4 | -39 | 179.8 | -75.9 | -66.9 | -173.6 | -173.4 | 0 | 113.6 | W301 C302 | W301-K305 HydrophobicContact CD2-CG 4.02Å; W301-K305 HydrophobicContact CE3-CG 4.42Å; W301-K305 HydrophobicContact CH2-CG 4.2Å; W301-K305 HydrophobicContact CZ2-CD 4.33Å; W301-K305 HydrophobicContact CZ2-CG 3.79Å; W301-K305 HydrophobicContact CZ3-CG 4.49Å; W301-K305 WeakPolarHBondContact O-CB 3.4Å; W301-K305 WeakPolarHBondContact O-CG 3.32Å; W301-K305 PolarHBondContact O-N 2.92Å; C302-K305 PolarHBondContact O-N 3.35Å |
| 306 | F | 82.3 | Confident | 79.2 | Confident | 123 Ų | 123 | 118.2 Ų | 118.2 | 54% | 0.539 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -92.2 | -21.3 | -174.3 | -69.1 | -70 | 0 | 0 | 0 | 114 | C302 N308 K309 | C302-F306 HydrophobicContact CB-CD2 4.31Å; C302-F306 HydrophobicContact CB-CE2 4.5Å; C302-F306 WeakPolarHBondContact O-CD2 3.07Å; C302-F306 PolarHBondContact O-N 3.44Å; F306-N308 PolarHBondContact O-N 3.43Å; F306-K309 HydrophobicContact CD1-CD 4.24Å; F306-K309 PolarHBondContact O-N 3.5Å |
| 307 | K | 76 | Confident | 78.6 | Confident | 149 Ų | 149 | 119.3 Ų | 119.3 | 65% | 0.648 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -64.6 | -25.9 | 174.7 | -165.8 | 177.8 | -164.9 | 166.7 | 0 | 113.3 | H303 | H303-K307 PolarHBondContact NE2-NZ 3.4Å; H303-K307 WeakPolarHBondContact O-CB 3.3Å; H303-K307 PolarHBondContact O-N 2.71Å |
| 308 | N | 65.1 | Low | 78 | Confident | 130 Ų | 130 | 123.4 Ų | 123.4 | 70% | 0.695 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | 9 | -179 | -72.3 | -28.5 | 0 | 0 | 0 | 114.3 | F306 P310 | F306-N308 PolarHBondContact O-N 3.43Å; N308-P310 VanDerWaalsContact O-CD 3.27Å; N308-P310 WeakPolarHBondContact O-CD 3.39Å |
| 309 | K | 58.3 | Low | 77.3 | Confident | 138 Ų | 138 | 128.5 Ų | 128.5 | 60% | 0.6 | 63% | 0.626 | S | S | * | * | trans | -81.7 | 114.6 | 169.8 | -79.9 | -169.1 | 177.9 | -176.8 | 0 | 109 | F306 H311 | F306-K309 HydrophobicContact CD1-CD 4.24Å; F306-K309 PolarHBondContact O-N 3.5Å; K309-H311 PolarHBondContact O-N 2.94Å | ||
| 310 | P | 61 | Low | 76.6 | Confident | 122 Ų | 122 | 129.1 Ų | 129.1 | 79% | 0.792 | 63% | 0.626 | S | S | * | * | trans | -61.9 | 127.9 | 166.8 | 27.1 | -30.5 | 0 | 0 | 0 | 107.8 | N308 | N308-P310 VanDerWaalsContact O-CD 3.27Å; N308-P310 WeakPolarHBondContact O-CD 3.39Å | ||
| 311 | H | 54.8 | Low | 75.5 | Confident | 260 Ų | 260 | 133.6 Ų | 133.6 | 100% | 1.204 | 63% | 0.632 | S | S | * | * | trans | -58.3 | 0 | 164 | -69.3 | -65 | 0 | 0 | 0 | 110.3 | K309 | K309-H311 PolarHBondContact O-N 2.94Š|
Retrieved 311 of 311 residues in 729.2 ms
(Link to these results)