| 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 | 29.2 | Very low | 39.7 | Very low | 205 Ų | 205 | 116.9 Ų | 116.9 | 100% | 1.01 | 64% | 0.639 | S | S | * | * | 0 | 117.4 | 0 | -164.1 | 146.6 | 169.3 | 0 | 0 | 107.6 | |||||
| 2 | Q | 26.9 | Very low | 41.2 | Very low | 166 Ų | 166 | 114.8 Ų | 114.8 | 78% | 0.776 | 63% | 0.626 | S | S | * | * | trans | -99 | 127.5 | -176.2 | -62.5 | 178.8 | 25 | 0 | 0 | 108.6 | ||||
| 3 | V | 32 | Very low | 43.2 | Very low | 69 Ų | 69 | 115.5 Ų | 115.5 | 42% | 0.418 | 63% | 0.628 | S | S | . | * | trans | -114.5 | 124.7 | 179.9 | -173.9 | 0 | 0 | 0 | 0 | 108.3 | F5 | V3-F5 HydrophobicContact CG1-CE2 4.34Å; V3-F5 HydrophobicContact CG1-CZ 4.46Å | ||
| 4 | H | 35.1 | Very low | 44.9 | Very low | 111 Ų | 111 | 116.4 Ų | 116.4 | 51% | 0.514 | 63% | 0.63 | S | S | . | * | trans | -111 | 121.6 | -176.6 | -66.1 | -85.9 | 0 | 0 | 0 | 110.5 | ||||
| 5 | F | 38.2 | Very low | 46 | Very low | 100 Ų | 100 | 110.1 Ų | 110.1 | 44% | 0.439 | 60% | 0.599 | S | S | . | * | trans | -95.4 | 120.3 | 170.2 | -61.2 | -90.6 | 0 | 0 | 0 | 108.2 | V3 L18 L31 | V3-F5 HydrophobicContact CG1-CE2 4.34Å; V3-F5 HydrophobicContact CG1-CZ 4.46Å; F5-L18 HydrophobicContact CZ-CD2 4.47Å; F5-L31 HydrophobicContact CD2-CD2 4Å | ||
| 6 | C | 38.5 | Very low | 47.3 | Very low | 81 Ų | 81 | 111.9 Ų | 111.9 | 55% | 0.547 | 59% | 0.594 | S | S | . | * | trans | -102.1 | 115.8 | 163.2 | -20.2 | 0 | 0 | 0 | 0 | 110.3 | K132 | C6-K132 HydrophobicContact CB-CD 4.25Å; C6-K132 HydrophobicContact CB-CG 4.34Å; C6-K132 VanDerWaalsContact CB-NZ 3.27Å; C6-K132 WeakPolarHBondContact O-CE 3.3Å; C6-K132 PolarHBondContact O-NZ 3.43Å; C6-K132 WeakPolarHBondContact SG-CE 3.34Å | ||
| 7 | G | 45.2 | Very low | 48.9 | Very low | 49 Ų | 49 | 110.8 Ų | 110.8 | 51% | 0.505 | 59% | 0.587 | S | S | . | * | trans | -169.8 | 137.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | N9 | G7-N9 PolarHBondContact O-N 3.17Š| ||
| 8 | P | 41.7 | Very low | 50.1 | Low | 125 Ų | 125 | 109.2 Ų | 109.2 | 81% | 0.812 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -74.5 | -4.9 | 172.4 | 31.3 | -34.2 | 0 | 0 | 0 | 112.4 | ||
| 9 | N | 46.9 | Very low | 50.9 | Low | 133 Ų | 133 | 107.8 Ų | 107.8 | 71% | 0.711 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -91.4 | 146.6 | -175.3 | -63.7 | -32 | 0 | 0 | 0 | 110.3 | G7 | G7-N9 PolarHBondContact O-N 3.17Š|
| 10 | Q | 47.8 | Very low | 52 | Low | 169 Ų | 169 | 107.8 Ų | 107.8 | 79% | 0.79 | 57% | 0.567 | S | S | * | * | trans | -46 | 139.4 | 167.4 | -80.7 | -177.9 | -14.2 | 0 | 0 | 109.1 | D12 | Q10-D12 PolarHBondContact O-N 2.98Å; Q10-D12 VanDerWaalsContact O-N 3.13Å | ||
| 11 | P | 55.2 | Low | 53 | Low | 78 Ų | 78 | 106.7 Ų | 106.7 | 51% | 0.506 | 57% | 0.565 | S | S | . | * | trans | -50.4 | 127.7 | 175.1 | 21.9 | -32.2 | 0 | 0 | 0 | 108 | R16 | P11-R16 HydrophobicContact CB-CG 3.83Å; P11-R16 HydrophobicContact CG-CG 3.64Å; P11-R16 VanDerWaalsContact O-CD 3.23Å; P11-R16 WeakPolarHBondContact O-CD 3.07Å; P11-R16 WeakPolarHBondContact O-CG 3.35Å | ||
| 12 | D | 58.1 | Low | 54.8 | Low | 91 Ų | 91 | 98.9 Ų | 98.9 | 49% | 0.487 | 53% | 0.527 | S | S | . | . | trans | -58.3 | 165.3 | 177.3 | 61.8 | 16.6 | 0 | 0 | 0 | 110.1 | Q10 I14 S15 R16 | Q10-D12 PolarHBondContact O-N 2.98Å; Q10-D12 VanDerWaalsContact O-N 3.13Å; D12-I14 PolarHBondContact O-N 3.13Å; D12-I14 VanDerWaalsContact O-N 3.08Å; D12-I14 PolarHBondContact OD1-N 2.84Å; D12-S15 PolarHBondContact O-N 3.39Å; D12-S15 VanDerWaalsContact O-N 3.08Å; D12-S15 WeakPolarHBondContact OD1-CA 3.46Å; D12-S15 WeakPolarHBondContact OD1-CB 3.49Å; D12-S15 PolarHBondContact OD1-N 3.18Å; D12-S15 PolarHBondContact OD1-OG 2.87Å; D12-R16 WeakPolarHBondContact O-CG 3.5Å; D12-R16 PolarHBondContact O-N 3.09Å | ||
| 13 | L | 66.5 | Low | 56.8 | Low | 125 Ų | 125 | 97.7 Ų | 97.7 | 65% | 0.654 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -53.1 | -35.9 | -177.6 | -175 | 66.9 | 0 | 0 | 0 | 111.2 | R16 L17 | L13-R16 PolarHBondContact O-N 2.86Å; L13-L17 HydrophobicContact CG-CD1 4.06Å; L13-L17 WeakPolarHBondContact O-CB 3.36Å; L13-L17 WeakPolarHBondContact O-CG 3.44Å; L13-L17 PolarHBondContact O-N 3.2Å |
| 14 | I | 67.9 | Low | 58.7 | Low | 127 Ų | 127 | 99.9 Ų | 99.9 | 65% | 0.651 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.4 | -47.8 | 179.3 | -61.6 | 174.1 | 0 | 0 | 0 | 110.9 | D12 R16 L17 L18 | D12-I14 PolarHBondContact O-N 3.13Å; D12-I14 VanDerWaalsContact O-N 3.08Å; D12-I14 PolarHBondContact OD1-N 2.84Å; I14-R16 VanDerWaalsContact C-N 3.3Å; I14-R16 PolarHBondContact O-N 3.06Å; I14-L17 CarbonylContact O-C 3.6Å; I14-L17 PolarHBondContact O-N 3.37Å; I14-L18 VanDerWaalsContact O-CB 3.3Å; I14-L18 WeakPolarHBondContact O-CB 3.32Å; I14-L18 PolarHBondContact O-N 3.36Å |
| 15 | S | 61.2 | Low | 60.6 | Low | 23 Ų | 23 | 99.3 Ų | 99.3 | 16% | 0.161 | 54% | 0.537 | C | S | . | . | H | α-helix | trans | -64.6 | -35.8 | 177.6 | -61.1 | 0 | 0 | 0 | 0 | 111.5 | D12 F19 | D12-S15 PolarHBondContact O-N 3.39Å; D12-S15 VanDerWaalsContact O-N 3.08Å; D12-S15 WeakPolarHBondContact OD1-CA 3.46Å; D12-S15 WeakPolarHBondContact OD1-CB 3.49Å; D12-S15 PolarHBondContact OD1-N 3.18Å; D12-S15 PolarHBondContact OD1-OG 2.87Å; S15-F19 VanDerWaalsContact O-CB 3.31Å; S15-F19 WeakPolarHBondContact O-CB 3.37Å; S15-F19 PolarHBondContact O-N 3.19Å |
| 16 | R | 66 | Low | 61.6 | Low | 139 Ų | 139 | 101.3 Ų | 101.3 | 53% | 0.525 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.4 | -44 | 172.9 | -69.3 | 174.4 | 66.9 | -173.5 | -0.2 | 111.6 | P11 D12 L13 I14 F19 L20 | P11-R16 HydrophobicContact CB-CG 3.83Å; P11-R16 HydrophobicContact CG-CG 3.64Å; P11-R16 VanDerWaalsContact O-CD 3.23Å; P11-R16 WeakPolarHBondContact O-CD 3.07Å; P11-R16 WeakPolarHBondContact O-CG 3.35Å; D12-R16 WeakPolarHBondContact O-CG 3.5Å; D12-R16 PolarHBondContact O-N 3.09Å; L13-R16 PolarHBondContact O-N 2.86Å; I14-R16 VanDerWaalsContact C-N 3.3Å; I14-R16 PolarHBondContact O-N 3.06Å; R16-F19 PolarHBondContact O-N 2.89Å; R16-L20 VanDerWaalsContact O-CG 3.28Å; R16-L20 WeakPolarHBondContact O-CG 3.32Å; R16-L20 PolarHBondContact O-N 3.09Å |
| 17 | L | 75.1 | Confident | 62.3 | Low | 92 Ų | 92 | 101.8 Ų | 101.8 | 48% | 0.482 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.5 | -43.4 | 174.8 | -75.8 | 168.1 | 0 | 0 | 0 | 111.1 | L13 I14 F19 L20 V21 | L13-L17 HydrophobicContact CG-CD1 4.06Å; L13-L17 WeakPolarHBondContact O-CB 3.36Å; L13-L17 WeakPolarHBondContact O-CG 3.44Å; L13-L17 PolarHBondContact O-N 3.2Å; I14-L17 CarbonylContact O-C 3.6Å; I14-L17 PolarHBondContact O-N 3.37Å; L17-F19 VanDerWaalsContact C-N 3.34Å; L17-F19 PolarHBondContact O-N 3.37Å; L17-L20 WeakPolarHBondContact O-CB 3.01Å; L17-L20 PolarHBondContact O-N 3.29Å; L17-V21 VanDerWaalsContact O-CG2 3.3Å; L17-V21 WeakPolarHBondContact O-CG2 3.22Å; L17-V21 PolarHBondContact O-N 3.39Å |
| 18 | L | 70.7 | Confident | 62.4 | Low | 82 Ų | 82 | 106.5 Ų | 106.5 | 43% | 0.429 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.9 | -44.6 | 175.7 | -173.5 | 68.2 | 0 | 0 | 0 | 110.8 | F5 I14 L20 V21 L22 | F5-L18 HydrophobicContact CZ-CD2 4.47Å; I14-L18 VanDerWaalsContact O-CB 3.3Å; I14-L18 WeakPolarHBondContact O-CB 3.32Å; I14-L18 PolarHBondContact O-N 3.36Å; L18-L20 VanDerWaalsContact C-N 3.33Å; L18-L20 PolarHBondContact O-N 3.38Å; L18-V21 PolarHBondContact O-N 3Å; L18-L22 HydrophobicContact CD1-CD1 4.39Å; L18-L22 HydrophobicContact CG-CD1 3.93Å; L18-L22 HydrophobicContact CG-CG 4.45Å; L18-L22 WeakPolarHBondContact O-CB 3.09Å; L18-L22 WeakPolarHBondContact O-CG 3.33Å; L18-L22 PolarHBondContact O-N 2.8Å |
| 19 | F | 65.4 | Low | 62.8 | Low | 84 Ų | 84 | 101.4 Ų | 101.4 | 37% | 0.368 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.4 | -38.3 | 175.8 | -159.1 | -89.2 | 0 | 0 | 0 | 112.1 | S15 R16 L17 L22 K23 I29 | S15-F19 VanDerWaalsContact O-CB 3.31Å; S15-F19 WeakPolarHBondContact O-CB 3.37Å; S15-F19 PolarHBondContact O-N 3.19Å; R16-F19 PolarHBondContact O-N 2.89Å; L17-F19 VanDerWaalsContact C-N 3.34Å; L17-F19 PolarHBondContact O-N 3.37Å; F19-L22 PolarHBondContact O-N 3.16Å; F19-K23 VanDerWaalsContact O-CB 3.29Å; F19-K23 WeakPolarHBondContact O-CB 3.45Å; F19-K23 PolarHBondContact O-N 2.81Å; F19-I29 HydrophobicContact CD2-CB 4.44Å; F19-I29 HydrophobicContact CE2-CB 3.86Å; F19-I29 HydrophobicContact CE2-CG2 4.21Å |
| 20 | L | 72.2 | Confident | 62.7 | Low | 107 Ų | 107 | 103 Ų | 103 | 56% | 0.56 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.4 | -45.4 | 173.5 | -73.5 | 168.7 | 0 | 0 | 0 | 111.6 | R16 L17 L18 K23 T24 | R16-L20 VanDerWaalsContact O-CG 3.28Å; R16-L20 WeakPolarHBondContact O-CG 3.32Å; R16-L20 PolarHBondContact O-N 3.09Å; L17-L20 WeakPolarHBondContact O-CB 3.01Å; L17-L20 PolarHBondContact O-N 3.29Å; L18-L20 VanDerWaalsContact C-N 3.33Å; L18-L20 PolarHBondContact O-N 3.38Å; L20-K23 PolarHBondContact O-N 2.98Å; L20-T24 WeakPolarHBondContact O-CG2 3.36Å; L20-T24 PolarHBondContact O-N 3.42Å |
| 21 | V | 74 | Confident | 62.5 | Low | 85 Ų | 85 | 100.5 Ų | 100.5 | 52% | 0.515 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.2 | -43.8 | 176.8 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | L17 L18 K23 T24 V25 | L17-V21 VanDerWaalsContact O-CG2 3.3Å; L17-V21 WeakPolarHBondContact O-CG2 3.22Å; L17-V21 PolarHBondContact O-N 3.39Å; L18-V21 PolarHBondContact O-N 3Å; V21-K23 VanDerWaalsContact C-N 3.33Å; V21-K23 PolarHBondContact O-N 2.93Å; V21-T24 WeakPolarHBondContact CA-OG1 3.41Å; V21-T24 PolarHBondContact O-N 2.91Å; V21-T24 VanDerWaalsContact O-N 3.11Å; V21-T24 PolarHBondContact O-OG1 2.03Å; V21-V25 PolarHBondContact O-N 3.36Å |
| 22 | L | 66.1 | Low | 61.9 | Low | 40 Ų | 40 | 100.8 Ų | 100.8 | 21% | 0.209 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -65.8 | -36.4 | 178.4 | -69.7 | 173 | 0 | 0 | 0 | 112.6 | L18 F19 T24 V25 N26 F27 I29 | L18-L22 HydrophobicContact CD1-CD1 4.39Å; L18-L22 HydrophobicContact CG-CD1 3.93Å; L18-L22 HydrophobicContact CG-CG 4.45Å; L18-L22 WeakPolarHBondContact O-CB 3.09Å; L18-L22 WeakPolarHBondContact O-CG 3.33Å; L18-L22 PolarHBondContact O-N 2.8Å; F19-L22 PolarHBondContact O-N 3.16Å; L22-T24 VanDerWaalsContact C-N 3.31Å; L22-T24 PolarHBondContact O-N 3.39Å; L22-V25 HydrophobicContact CD2-CG2 4.25Å; L22-V25 CarbonylContact O-C 3.57Å; L22-V25 WeakPolarHBondContact O-CG2 2.85Å; L22-V25 PolarHBondContact O-N 2.78Å; L22-N26 PolarHBondContact O-N 3.26Å; L22-F27 HydrophobicContact CB-CB 4.45Å; L22-F27 HydrophobicContact CD2-CB 4.46Å; L22-F27 HydrophobicContact CD2-CD1 4.3Å; L22-F27 PolarHBondContact O-N 3.5Å; L22-I29 HydrophobicContact CD1-CD1 3.35Å; L22-I29 HydrophobicContact CD1-CG1 4.27Å |
| 23 | K | 68.3 | Low | 61.2 | Low | 141 Ų | 141 | 105.6 Ų | 105.6 | 61% | 0.613 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.9 | -35.3 | 172.4 | -167.8 | 175.8 | -178.2 | 179.3 | 0 | 112 | F19 L20 V21 V25 N26 | F19-K23 VanDerWaalsContact O-CB 3.29Å; F19-K23 WeakPolarHBondContact O-CB 3.45Å; F19-K23 PolarHBondContact O-N 2.81Å; L20-K23 PolarHBondContact O-N 2.98Å; V21-K23 VanDerWaalsContact C-N 3.33Å; V21-K23 PolarHBondContact O-N 2.93Å; K23-V25 VanDerWaalsContact C-N 3.27Å; K23-V25 PolarHBondContact O-N 2.98Å; K23-N26 PolarHBondContact O-N 3.23Å |
| 24 | T | 72.7 | Confident | 60 | Low | 116 Ų | 116 | 107.2 Ų | 107.2 | 71% | 0.712 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -68.7 | -24 | 174.7 | 55.3 | 0 | 0 | 0 | 0 | 113.7 | L20 V21 L22 N26 | L20-T24 WeakPolarHBondContact O-CG2 3.36Å; L20-T24 PolarHBondContact O-N 3.42Å; V21-T24 WeakPolarHBondContact CA-OG1 3.41Å; V21-T24 PolarHBondContact O-N 2.91Å; V21-T24 VanDerWaalsContact O-N 3.11Å; V21-T24 PolarHBondContact O-OG1 2.03Å; L22-T24 VanDerWaalsContact C-N 3.31Å; L22-T24 PolarHBondContact O-N 3.39Å; T24-N26 VanDerWaalsContact C-N 3.35Å |
| 25 | V | 73.9 | Confident | 58.6 | Low | 98 Ų | 98 | 110.4 Ų | 110.4 | 59% | 0.594 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | 19.9 | 174.1 | -61.2 | 0 | 0 | 0 | 0 | 113.3 | V21 L22 K23 F27 | V21-V25 PolarHBondContact O-N 3.36Å; L22-V25 HydrophobicContact CD2-CG2 4.25Å; L22-V25 CarbonylContact O-C 3.57Å; L22-V25 WeakPolarHBondContact O-CG2 2.85Å; L22-V25 PolarHBondContact O-N 2.78Å; K23-V25 VanDerWaalsContact C-N 3.27Å; K23-V25 PolarHBondContact O-N 2.98Å; V25-F27 HydrophobicContact CG2-CB 4.07Å; V25-F27 PolarHBondContact O-N 3.4Å; V25-F27 VanDerWaalsContact O-N 3.14Å |
| 26 | N | 60.5 | Low | 57.7 | Low | 143 Ų | 143 | 114.1 Ų | 114.1 | 77% | 0.765 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 53.9 | 30 | 179.6 | -155.8 | 38.7 | 0 | 0 | 0 | 113.8 | L22 K23 T24 | L22-N26 PolarHBondContact O-N 3.26Å; K23-N26 PolarHBondContact O-N 3.23Å; T24-N26 VanDerWaalsContact C-N 3.35Å |
| 27 | F | 53 | Low | 56.5 | Low | 90 Ų | 90 | 112.1 Ų | 112.1 | 40% | 0.395 | 56% | 0.559 | S | S | . | * | trans | -97 | 99.3 | 178 | -163.6 | -96.3 | 0 | 0 | 0 | 109.5 | L22 V25 I29 | L22-F27 HydrophobicContact CB-CB 4.45Å; L22-F27 HydrophobicContact CD2-CB 4.46Å; L22-F27 HydrophobicContact CD2-CD1 4.3Å; L22-F27 PolarHBondContact O-N 3.5Å; V25-F27 HydrophobicContact CG2-CB 4.07Å; V25-F27 PolarHBondContact O-N 3.4Å; V25-F27 VanDerWaalsContact O-N 3.14Å; F27-I29 HydrophobicContact CD1-CD1 4.3Å; F27-I29 HydrophobicContact CD1-CG1 3.7Å; F27-I29 HydrophobicContact CE1-CD1 4.29Å; F27-I29 HydrophobicContact CE1-CG1 3.81Å; F27-I29 PolarHBondContact O-N 3.45Å; F27-I29 VanDerWaalsContact O-N 3.16Å | ||
| 28 | E | 46.5 | Very low | 55 | Low | 149 Ų | 149 | 111 Ų | 111 | 70% | 0.696 | 56% | 0.559 | S | S | * | * | trans | -73.5 | 100.6 | 178 | -75.5 | -79.6 | 143.4 | 0 | 0 | 110.7 | K30 | E28-K30 PolarHBondContact O-N 2.97Š| ||
| 29 | I | 50.8 | Low | 53.8 | Low | 17 Ų | 17 | 109.8 Ų | 109.8 | 9% | 0.087 | 55% | 0.554 | C | S | . | * | trans | -84.2 | 107.9 | 166.4 | -64.2 | -168.8 | 0 | 0 | 0 | 108.9 | F19 L22 F27 L31 | F19-I29 HydrophobicContact CD2-CB 4.44Å; F19-I29 HydrophobicContact CE2-CB 3.86Å; F19-I29 HydrophobicContact CE2-CG2 4.21Å; L22-I29 HydrophobicContact CD1-CD1 3.35Å; L22-I29 HydrophobicContact CD1-CG1 4.27Å; F27-I29 HydrophobicContact CD1-CD1 4.3Å; F27-I29 HydrophobicContact CD1-CG1 3.7Å; F27-I29 HydrophobicContact CE1-CD1 4.29Å; F27-I29 HydrophobicContact CE1-CG1 3.81Å; F27-I29 PolarHBondContact O-N 3.45Å; F27-I29 VanDerWaalsContact O-N 3.16Å; I29-L31 HydrophobicContact CG2-CD2 4.43Å; I29-L31 PolarHBondContact O-N 2.57Å | ||
| 30 | K | 43.8 | Very low | 52.8 | Low | 167 Ų | 167 | 110.6 Ų | 110.6 | 73% | 0.726 | 56% | 0.563 | S | S | * | * | trans | -77.2 | 110.7 | 167.1 | -70.6 | -170.7 | 178.4 | -175.5 | 0 | 109.7 | E28 V32 | E28-K30 PolarHBondContact O-N 2.97Å; K30-V32 VanDerWaalsContact C-N 3.32Å; K30-V32 HydrophobicContact CB-CG2 4.4Å; K30-V32 PolarHBondContact O-N 3.05Å | ||
| 31 | L | 43.8 | Very low | 52.1 | Low | 116 Ų | 116 | 107.4 Ų | 107.4 | 61% | 0.607 | 55% | 0.548 | S | S | * | . | trans | -69.8 | 91.4 | 165.2 | -65.4 | 177.7 | 0 | 0 | 0 | 108.7 | F5 I29 Q33 | F5-L31 HydrophobicContact CD2-CD2 4Å; I29-L31 HydrophobicContact CG2-CD2 4.43Å; I29-L31 PolarHBondContact O-N 2.57Å; L31-Q33 PolarHBondContact O-N 2.64Å | ||
| 32 | V | 44.2 | Very low | 51.1 | Low | 85 Ų | 85 | 105.4 Ų | 105.4 | 52% | 0.515 | 53% | 0.534 | S | S | . | . | trans | -81.9 | 104.2 | 168.9 | -178.1 | 0 | 0 | 0 | 0 | 107.4 | K30 K34 | K30-V32 VanDerWaalsContact C-N 3.32Å; K30-V32 HydrophobicContact CB-CG2 4.4Å; K30-V32 PolarHBondContact O-N 3.05Å; V32-K34 HydrophobicContact CG1-CB 4.37Å; V32-K34 PolarHBondContact O-N 3.26Å | ||
| 33 | Q | 42.2 | Very low | 50.6 | Low | 191 Ų | 191 | 104.3 Ų | 104.3 | 89% | 0.893 | 53% | 0.529 | S | S | * | . | trans | -72.6 | 85.9 | 165 | -66 | -139.8 | -17.7 | 0 | 0 | 108.5 | L31 | L31-Q33 PolarHBondContact O-N 2.64Š| ||
| 34 | K | 41.7 | Very low | 50.3 | Low | 159 Ų | 159 | 104.1 Ų | 104.1 | 69% | 0.691 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -80.1 | 124.4 | 172.2 | -161.4 | 171.6 | -177.4 | 178.6 | 0 | 107.8 | V32 V36 | V32-K34 HydrophobicContact CG1-CB 4.37Å; V32-K34 PolarHBondContact O-N 3.26Å; K34-V36 PolarHBondContact O-N 2.75Å |
| 35 | K | 38.8 | Very low | 49.9 | Very low | 195 Ų | 195 | 102.8 Ų | 102.8 | 85% | 0.848 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -52.1 | 121.8 | 171.4 | -153 | 174.3 | -174.9 | -177.4 | 0 | 107.6 | K37 | K35-K37 PolarHBondContact O-N 3.08Š|
| 36 | V | 43 | Very low | 49.3 | Very low | 101 Ų | 101 | 100 Ų | 100 | 61% | 0.612 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -56.3 | 124 | 178.3 | -177 | 0 | 0 | 0 | 0 | 106.7 | K34 I42 | K34-V36 PolarHBondContact O-N 2.75Å; V36-I42 HydrophobicContact CG1-CD1 3.64Å |
| 37 | K | 40.8 | Very low | 49.9 | Very low | 97 Ų | 97 | 97 Ų | 97 | 42% | 0.422 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 155.9 | 172 | -62.7 | -171 | -175.2 | 172.8 | 0 | 108 | K35 V39 V41 E45 | K35-K37 PolarHBondContact O-N 3.08Å; K37-V39 PolarHBondContact O-N 2.91Å; K37-V41 HydrophobicContact CB-CB 3.96Å; K37-V41 HydrophobicContact CB-CG1 4.14Å; K37-V41 HydrophobicContact CD-CB 4.2Å; K37-V41 HydrophobicContact CD-CG1 3.44Å; K37-V41 VanDerWaalsContact CD-CG1 3.44Å; K37-V41 HydrophobicContact CG-CG1 4.47Å; K37-E45 IonicContact NZ-OE1 2.66Å; K37-E45 PolarHBondContact NZ-OE1 2.64Å |
| 38 | S | 41.8 | Very low | 51 | Low | 68 Ų | 68 | 98.6 Ų | 98.6 | 48% | 0.476 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -52.4 | 146.4 | 177.8 | 46.3 | 0 | 0 | 0 | 0 | 110.5 | D40 V41 I42 | S38-D40 PolarHBondContact O-N 3.02Å; S38-D40 VanDerWaalsContact O-N 3.08Å; S38-V41 PolarHBondContact O-N 2.99Å; S38-V41 WeakPolarHBondContact OG-CG2 3.34Å; S38-I42 PolarHBondContact O-N 3.03Å |
| 39 | V | 45.8 | Very low | 52.4 | Low | 56 Ų | 56 | 95.3 Ų | 95.3 | 34% | 0.339 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -25.4 | -55.1 | 165.2 | 156.8 | 0 | 0 | 0 | 0 | 112.9 | K37 V41 I42 C43 P125 E127 | K37-V39 PolarHBondContact O-N 2.91Å; V39-V41 PolarHBondContact O-N 3.39Å; V39-I42 PolarHBondContact O-N 3.22Å; V39-C43 PolarHBondContact O-N 2.96Å; V39-C43 VanDerWaalsContact O-N 3.1Å; V39-P125 HydrophobicContact CG2-CG 4.23Å; V39-E127 WeakPolarHBondContact CA-OE2 3.4Å; V39-E127 WeakPolarHBondContact CB-OE2 2.93Å; V39-E127 WeakPolarHBondContact CG1-OE1 3.32Å; V39-E127 WeakPolarHBondContact CG1-OE2 3.45Å; V39-E127 WeakPolarHBondContact CG2-OE1 3.36Å; V39-E127 WeakPolarHBondContact CG2-OE2 3.23Å |
| 40 | D | 45.9 | Very low | 53.8 | Low | 101 Ų | 101 | 95.6 Ų | 95.6 | 54% | 0.54 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.9 | -42 | -177 | -49.8 | -44.8 | 0 | 0 | 0 | 112.7 | S38 I42 C43 E44 | S38-D40 PolarHBondContact O-N 3.02Å; S38-D40 VanDerWaalsContact O-N 3.08Å; D40-I42 VanDerWaalsContact C-N 3.34Å; D40-I42 PolarHBondContact O-N 3.39Å; D40-C43 PolarHBondContact O-N 3.19Å; D40-E44 WeakPolarHBondContact O-CG 3.45Å; D40-E44 PolarHBondContact O-N 3.48Å |
| 41 | V | 56.2 | Low | 55.6 | Low | 40 Ų | 40 | 89.9 Ų | 89.9 | 24% | 0.242 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -70.4 | -32.9 | -178 | -176.5 | 0 | 0 | 0 | 0 | 111.7 | K37 S38 V39 C43 E45 | K37-V41 HydrophobicContact CB-CB 3.96Å; K37-V41 HydrophobicContact CB-CG1 4.14Å; K37-V41 HydrophobicContact CD-CB 4.2Å; K37-V41 HydrophobicContact CD-CG1 3.44Å; K37-V41 VanDerWaalsContact CD-CG1 3.44Å; K37-V41 HydrophobicContact CG-CG1 4.47Å; S38-V41 PolarHBondContact O-N 2.99Å; S38-V41 WeakPolarHBondContact OG-CG2 3.34Å; V39-V41 PolarHBondContact O-N 3.39Å; V41-C43 VanDerWaalsContact C-N 3.35Å; V41-E45 WeakPolarHBondContact O-CB 3.28Å; V41-E45 WeakPolarHBondContact O-CG 3.44Å; V41-E45 PolarHBondContact O-N 3.3Å |
| 42 | I | 53 | Low | 57.6 | Low | 44 Ų | 44 | 88.7 Ų | 88.7 | 23% | 0.226 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -70.5 | -37.9 | 176.5 | -63 | 174.4 | 0 | 0 | 0 | 110.2 | V36 S38 V39 D40 C46 | V36-I42 HydrophobicContact CG1-CD1 3.64Å; S38-I42 PolarHBondContact O-N 3.03Å; V39-I42 PolarHBondContact O-N 3.22Å; D40-I42 VanDerWaalsContact C-N 3.34Å; D40-I42 PolarHBondContact O-N 3.39Å; I42-C46 WeakPolarHBondContact O-CB 3.38Å; I42-C46 PolarHBondContact O-N 3.25Å |
| 43 | C | 56.3 | Low | 59.6 | Low | 17 Ų | 17 | 89.4 Ų | 89.4 | 12% | 0.115 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -66.4 | -45.8 | 175.9 | -174.5 | 0 | 0 | 0 | 0 | 112 | V39 D40 V41 E45 C46 V47 C113 | V39-C43 PolarHBondContact O-N 2.96Å; V39-C43 VanDerWaalsContact O-N 3.1Å; D40-C43 PolarHBondContact O-N 3.19Å; V41-C43 VanDerWaalsContact C-N 3.35Å; C43-E45 VanDerWaalsContact C-N 3.34Å; C43-E45 PolarHBondContact O-N 3.43Å; C43-C46 PolarHBondContact O-N 3.03Å; C43-C46 VanDerWaalsContact O-N 3.14Å; C43-V47 WeakPolarHBondContact O-CG2 3.5Å; C43-V47 PolarHBondContact O-N 3.23Å; C43-C113 HydrophobicContact CB-CB 3.98Å; C43-C113 WeakPolarHBondContact CB-SG 3.38Å; C43-C113 WeakPolarHBondContact SG-CB 3.04Å; C43-C113 CovalentContact SG-SG 2.01Å; C43-C113 PolarHBondContact SG-SG 3.38Å |
| 44 | E | 62.6 | Low | 61.8 | Low | 136 Ų | 136 | 81.1 Ų | 81.1 | 64% | 0.636 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -57.6 | -44.6 | 174.4 | -74.1 | 175.2 | -176.5 | 0 | 0 | 112 | D40 C46 V47 F48 | D40-E44 WeakPolarHBondContact O-CG 3.45Å; D40-E44 PolarHBondContact O-N 3.48Å; E44-C46 VanDerWaalsContact C-N 3.33Å; E44-C46 PolarHBondContact O-N 3.49Å; E44-V47 PolarHBondContact O-N 2.86Å; E44-F48 VanDerWaalsContact O-CB 3.31Å; E44-F48 WeakPolarHBondContact O-CB 3.27Å; E44-F48 PolarHBondContact O-N 3.29Å |
| 45 | E | 62.5 | Low | 64.1 | Low | 89 Ų | 89 | 77.7 Ų | 77.7 | 42% | 0.416 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.9 | -37.3 | 176.4 | -75.3 | 177.2 | -176 | 0 | 0 | 111.9 | K37 V41 C43 M49 | K37-E45 IonicContact NZ-OE1 2.66Å; K37-E45 PolarHBondContact NZ-OE1 2.64Å; V41-E45 WeakPolarHBondContact O-CB 3.28Å; V41-E45 WeakPolarHBondContact O-CG 3.44Å; V41-E45 PolarHBondContact O-N 3.3Å; C43-E45 VanDerWaalsContact C-N 3.34Å; C43-E45 PolarHBondContact O-N 3.43Å; E45-M49 WeakPolarHBondContact O-CG 3.23Å; E45-M49 PolarHBondContact O-N 3.02Å |
| 46 | C | 62.9 | Low | 66.5 | Low | 40 Ų | 40 | 72.1 Ų | 72.1 | 27% | 0.27 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -69.2 | -44.7 | 177.4 | -173.1 | 0 | 0 | 0 | 0 | 112.4 | I42 C43 E44 F48 M49 V50 | I42-C46 WeakPolarHBondContact O-CB 3.38Å; I42-C46 PolarHBondContact O-N 3.25Å; C43-C46 PolarHBondContact O-N 3.03Å; C43-C46 VanDerWaalsContact O-N 3.14Å; E44-C46 VanDerWaalsContact C-N 3.33Å; E44-C46 PolarHBondContact O-N 3.49Å; C46-F48 VanDerWaalsContact C-N 3.31Å; C46-M49 PolarHBondContact O-N 2.75Å; C46-V50 WeakPolarHBondContact O-CG2 3.45Å; C46-V50 PolarHBondContact O-N 3.12Å |
| 47 | V | 72.3 | Confident | 68.8 | Low | 78 Ų | 78 | 68.4 Ų | 68.4 | 47% | 0.473 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.1 | -45.4 | 176.2 | 172.5 | 0 | 0 | 0 | 0 | 109.6 | C43 E44 M49 V50 D51 | C43-V47 WeakPolarHBondContact O-CG2 3.5Å; C43-V47 PolarHBondContact O-N 3.23Å; E44-V47 PolarHBondContact O-N 2.86Å; V47-M49 PolarHBondContact O-N 3.21Å; V47-V50 PolarHBondContact O-N 2.94Å; V47-D51 WeakPolarHBondContact O-CB 3.3Å; V47-D51 PolarHBondContact O-N 3.45Å |
| 48 | F | 75.6 | Confident | 71.3 | Confident | 124 Ų | 124 | 66.6 Ų | 66.6 | 54% | 0.544 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -56.7 | -48.1 | 174.3 | 177.9 | -100.2 | 0 | 0 | 0 | 111.9 | E44 C46 V50 D51 E52 | E44-F48 VanDerWaalsContact O-CB 3.31Å; E44-F48 WeakPolarHBondContact O-CB 3.27Å; E44-F48 PolarHBondContact O-N 3.29Å; C46-F48 VanDerWaalsContact C-N 3.31Å; F48-V50 PolarHBondContact O-N 2.9Å; F48-D51 PolarHBondContact O-N 2.97Å; F48-E52 HydrophobicContact CD1-CG 4.18Å; F48-E52 HydrophobicContact CD2-CG 4.32Å; F48-E52 HydrophobicContact CE1-CG 3.73Å; F48-E52 HydrophobicContact CE2-CG 3.88Å; F48-E52 HydrophobicContact CG-CG 4.45Å; F48-E52 HydrophobicContact CZ-CG 3.57Å; F48-E52 WeakPolarHBondContact O-CB 3.26Å; F48-E52 VanDerWaalsContact O-CG 3.27Å; F48-E52 WeakPolarHBondContact O-CG 3.39Å; F48-E52 PolarHBondContact O-N 2.84Å |
| 49 | M | 76.8 | Confident | 73.8 | Confident | 80 Ų | 80 | 66.6 Ų | 66.6 | 39% | 0.394 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.1 | -41.4 | 178.4 | -76.4 | -173.4 | -65 | 0 | 0 | 113.1 | E45 C46 V47 E52 M53 | E45-M49 WeakPolarHBondContact O-CG 3.23Å; E45-M49 PolarHBondContact O-N 3.02Å; C46-M49 PolarHBondContact O-N 2.75Å; V47-M49 PolarHBondContact O-N 3.21Å; M49-E52 PolarHBondContact O-N 3.32Å; M49-M53 WeakPolarHBondContact O-CB 3.37Å; M49-M53 VanDerWaalsContact O-CG 3.27Å; M49-M53 WeakPolarHBondContact O-CG 3.46Å; M49-M53 PolarHBondContact O-N 3.37Å |
| 50 | V | 78.9 | Confident | 76.1 | Confident | 23 Ų | 23 | 68.5 Ų | 68.5 | 14% | 0.139 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.3 | -45.4 | 176.8 | 169.6 | 0 | 0 | 0 | 0 | 110 | C46 V47 F48 E52 M53 T54 L103 R106 | C46-V50 WeakPolarHBondContact O-CG2 3.45Å; C46-V50 PolarHBondContact O-N 3.12Å; V47-V50 PolarHBondContact O-N 2.94Å; F48-V50 PolarHBondContact O-N 2.9Å; V50-E52 PolarHBondContact O-N 3.28Å; V50-M53 PolarHBondContact O-N 3.09Å; V50-T54 WeakPolarHBondContact O-CB 3.45Å; V50-T54 PolarHBondContact O-N 3.45Å; V50-T54 PolarHBondContact O-OG1 3.22Å; V50-L103 HydrophobicContact CG1-CB 4.31Å; V50-L103 HydrophobicContact CG1-CD2 4.2Å; V50-R106 HydrophobicContact CG1-CB 4.5Å |
| 51 | D | 81.4 | Confident | 78.4 | Confident | 48 Ų | 48 | 67.7 Ų | 67.7 | 26% | 0.257 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 177.5 | -83.6 | -28.6 | 0 | 0 | 0 | 112.6 | V47 F48 T54 T55 K107 | V47-D51 WeakPolarHBondContact O-CB 3.3Å; V47-D51 PolarHBondContact O-N 3.45Å; F48-D51 PolarHBondContact O-N 2.97Å; D51-T54 PolarHBondContact O-N 3.38Å; D51-T55 WeakPolarHBondContact O-CB 3.46Å; D51-T55 PolarHBondContact O-N 2.89Å; D51-T55 PolarHBondContact O-OG1 2.78Å; D51-K107 WeakPolarHBondContact OD1-CD 3.28Å; D51-K107 VanDerWaalsContact OD1-CE 3.29Å; D51-K107 WeakPolarHBondContact OD1-CE 2.88Å; D51-K107 IonicContact OD1-NZ 2.8Å; D51-K107 PolarHBondContact OD1-NZ 2.72Å |
| 52 | E | 86.9 | Confident | 80.1 | Confident | 90 Ų | 90 | 70.3 Ų | 70.3 | 42% | 0.421 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.7 | -43.1 | 175.3 | -71.5 | -66.8 | 130.8 | 0 | 0 | 111.1 | F48 M49 V50 T55 I56 | F48-E52 HydrophobicContact CD1-CG 4.18Å; F48-E52 HydrophobicContact CD2-CG 4.32Å; F48-E52 HydrophobicContact CE1-CG 3.73Å; F48-E52 HydrophobicContact CE2-CG 3.88Å; F48-E52 HydrophobicContact CG-CG 4.45Å; F48-E52 HydrophobicContact CZ-CG 3.57Å; F48-E52 WeakPolarHBondContact O-CB 3.26Å; F48-E52 VanDerWaalsContact O-CG 3.27Å; F48-E52 WeakPolarHBondContact O-CG 3.39Å; F48-E52 PolarHBondContact O-N 2.84Å; M49-E52 PolarHBondContact O-N 3.32Å; V50-E52 PolarHBondContact O-N 3.28Å; E52-T55 PolarHBondContact O-N 3.33Å; E52-I56 VanDerWaalsContact O-CG1 3.28Å; E52-I56 WeakPolarHBondContact O-CG1 3.07Å; E52-I56 PolarHBondContact O-N 3.48Å |
| 53 | M | 86.1 | Confident | 82 | Confident | 101 Ų | 101 | 70.3 Ų | 70.3 | 50% | 0.498 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.5 | -48.4 | 175.8 | -76 | -178.2 | -177.9 | 0 | 0 | 111.5 | M49 V50 T55 I56 L57 L103 | M49-M53 WeakPolarHBondContact O-CB 3.37Å; M49-M53 VanDerWaalsContact O-CG 3.27Å; M49-M53 WeakPolarHBondContact O-CG 3.46Å; M49-M53 PolarHBondContact O-N 3.37Å; V50-M53 PolarHBondContact O-N 3.09Å; M53-T55 VanDerWaalsContact C-N 3.26Å; M53-T55 PolarHBondContact O-N 3.36Å; M53-I56 PolarHBondContact O-N 2.89Å; M53-L57 HydrophobicContact CB-CD1 4.32Å; M53-L57 VanDerWaalsContact O-CB 3.26Å; M53-L57 WeakPolarHBondContact O-CB 3.19Å; M53-L57 WeakPolarHBondContact O-CD1 3.37Å; M53-L57 WeakPolarHBondContact O-CG 3.32Å; M53-L57 PolarHBondContact O-N 3.45Å; M53-L103 HydrophobicContact CB-CD1 3.92Å; M53-L103 HydrophobicContact CB-CD2 4.45Å |
| 54 | T | 88.1 | Confident | 83.8 | Confident | 17 Ų | 17 | 76.7 Ų | 76.7 | 10% | 0.104 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -58.2 | -43.1 | 176.6 | -60.1 | 0 | 0 | 0 | 0 | 110.3 | V50 D51 L57 S58 L100 L103 | V50-T54 WeakPolarHBondContact O-CB 3.45Å; V50-T54 PolarHBondContact O-N 3.45Å; V50-T54 PolarHBondContact O-OG1 3.22Å; D51-T54 PolarHBondContact O-N 3.38Å; T54-L57 PolarHBondContact O-N 3.07Å; T54-S58 WeakPolarHBondContact O-CB 3.17Å; T54-S58 PolarHBondContact O-N 2.86Å; T54-S58 PolarHBondContact O-OG 2.7Å; T54-L100 HydrophobicContact CG2-CD2 4.02Å; T54-L103 VanDerWaalsContact OG1-CB 3.31Å; T54-L103 WeakPolarHBondContact OG1-CB 3.3Å |
| 55 | T | 89.9 | Confident | 85.3 | Confident | 86 Ų | 86 | 75.1 Ų | 75.1 | 53% | 0.528 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.9 | -51.2 | 177.6 | -60.1 | 0 | 0 | 0 | 0 | 111.4 | D51 E52 M53 S58 D59 | D51-T55 WeakPolarHBondContact O-CB 3.46Å; D51-T55 PolarHBondContact O-N 2.89Å; D51-T55 PolarHBondContact O-OG1 2.78Å; E52-T55 PolarHBondContact O-N 3.33Å; M53-T55 VanDerWaalsContact C-N 3.26Å; M53-T55 PolarHBondContact O-N 3.36Å; T55-S58 PolarHBondContact O-N 3.47Å; T55-S58 PolarHBondContact O-OG 3.26Å; T55-D59 PolarHBondContact O-N 2.78Å |
| 56 | I | 90.4 | Very high | 86.7 | Confident | 78 Ų | 78 | 73.8 Ų | 73.8 | 40% | 0.4 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.1 | -45.2 | 179.8 | -68.2 | 164.1 | 0 | 0 | 0 | 111.3 | E52 M53 S58 D59 Y62 | E52-I56 VanDerWaalsContact O-CG1 3.28Å; E52-I56 WeakPolarHBondContact O-CG1 3.07Å; E52-I56 PolarHBondContact O-N 3.48Å; M53-I56 PolarHBondContact O-N 2.89Å; I56-S58 VanDerWaalsContact C-N 3.33Å; I56-S58 PolarHBondContact O-N 2.6Å; I56-D59 WeakPolarHBondContact O-CB 3.36Å; I56-D59 PolarHBondContact O-N 3.14Å; I56-Y62 HydrophobicContact CG2-CD1 3.89Å; I56-Y62 HydrophobicContact CG2-CD2 4.1Å; I56-Y62 HydrophobicContact CG2-CE1 3.84Å; I56-Y62 HydrophobicContact CG2-CE2 4.05Å; I56-Y62 HydrophobicContact CG2-CG 4.01Å |
| 57 | L | 91.1 | Very high | 88.1 | Confident | 24 Ų | 24 | 73.9 Ų | 73.9 | 13% | 0.126 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -75.5 | -23.8 | -175.1 | -67.3 | 165.4 | 0 | 0 | 0 | 112.7 | M53 T54 D59 Y62 Q63 F96 L99 L100 L103 | M53-L57 HydrophobicContact CB-CD1 4.32Å; M53-L57 VanDerWaalsContact O-CB 3.26Å; M53-L57 WeakPolarHBondContact O-CB 3.19Å; M53-L57 WeakPolarHBondContact O-CD1 3.37Å; M53-L57 WeakPolarHBondContact O-CG 3.32Å; M53-L57 PolarHBondContact O-N 3.45Å; T54-L57 PolarHBondContact O-N 3.07Å; L57-D59 VanDerWaalsContact C-N 3.32Å; L57-Y62 HydrophobicContact CD2-CE1 4.11Å; L57-Q63 PolarHBondContact O-NE2 3.01Å; L57-F96 HydrophobicContact CD2-CD1 4.13Å; L57-F96 HydrophobicContact CD2-CE1 3.84Å; L57-L99 HydrophobicContact CD1-CD2 3.35Å; L57-L99 HydrophobicContact CD1-CG 3.68Å; L57-L99 HydrophobicContact CD2-CD2 3.69Å; L57-L99 HydrophobicContact CG-CD2 4.09Å; L57-L100 HydrophobicContact CB-CD2 4.02Å; L57-L103 HydrophobicContact CD1-CD1 3.53Å |
| 58 | S | 92.9 | Very high | 89.1 | Confident | 59 Ų | 59 | 71.5 Ų | 71.5 | 41% | 0.413 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -78.4 | -14.6 | 174.4 | 71.2 | 0 | 0 | 0 | 0 | 113.4 | T54 T55 I56 P60 | T54-S58 WeakPolarHBondContact O-CB 3.17Å; T54-S58 PolarHBondContact O-N 2.86Å; T54-S58 PolarHBondContact O-OG 2.7Å; T55-S58 PolarHBondContact O-N 3.47Å; T55-S58 PolarHBondContact O-OG 3.26Å; I56-S58 VanDerWaalsContact C-N 3.33Å; I56-S58 PolarHBondContact O-N 2.6Å; S58-P60 WeakPolarHBondContact O-CD 3.02Å |
| 59 | D | 93.6 | Very high | 90 | Very high | 68 Ų | 68 | 68.2 Ų | 68.2 | 36% | 0.364 | 37% | 0.372 | S | S | . | . | trans | -70.7 | 114.2 | 178.9 | -179 | -1.9 | 0 | 0 | 0 | 110.9 | T55 I56 L57 T61 Y62 Q63 | T55-D59 PolarHBondContact O-N 2.78Å; I56-D59 WeakPolarHBondContact O-CB 3.36Å; I56-D59 PolarHBondContact O-N 3.14Å; L57-D59 VanDerWaalsContact C-N 3.32Å; D59-T61 PolarHBondContact O-N 2.9Å; D59-T61 VanDerWaalsContact O-N 3.14Å; D59-T61 WeakPolarHBondContact OD1-CB 3.35Å; D59-T61 PolarHBondContact OD1-N 2.92Å; D59-T61 PolarHBondContact OD1-OG1 3.04Å; D59-T61 VanDerWaalsContact OD1-OG1 3.06Å; D59-Y62 PolarHBondContact O-N 2.82Å; D59-Y62 VanDerWaalsContact O-N 3.11Å; D59-Q63 WeakPolarHBondContact O-CG 2.96Å; D59-Q63 PolarHBondContact O-N 3.04Å | ||
| 60 | P | 94.3 | Very high | 90.8 | Very high | 96 Ų | 96 | 67.3 Ų | 67.3 | 62% | 0.623 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -60.3 | -26.5 | 178.7 | -22.3 | 34.6 | 0 | 0 | 0 | 113.4 | S58 K64 | S58-P60 WeakPolarHBondContact O-CD 3.02Å; P60-K64 VanDerWaalsContact O-CB 3.28Å; P60-K64 WeakPolarHBondContact O-CB 3.21Å; P60-K64 PolarHBondContact O-N 3.11Å |
| 61 | T | 94.4 | Very high | 91.5 | Very high | 83 Ų | 83 | 68.1 Ų | 68.1 | 51% | 0.509 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68.2 | -48.9 | 176.5 | -45.5 | 0 | 0 | 0 | 0 | 110 | D59 Q63 K64 D65 | D59-T61 PolarHBondContact O-N 2.9Å; D59-T61 VanDerWaalsContact O-N 3.14Å; D59-T61 WeakPolarHBondContact OD1-CB 3.35Å; D59-T61 PolarHBondContact OD1-N 2.92Å; D59-T61 PolarHBondContact OD1-OG1 3.04Å; D59-T61 VanDerWaalsContact OD1-OG1 3.06Å; T61-Q63 VanDerWaalsContact C-N 3.34Å; T61-Q63 PolarHBondContact O-N 3.26Å; T61-K64 PolarHBondContact O-N 3.46Å; T61-D65 PolarHBondContact O-N 3.08Å |
| 62 | Y | 91.8 | Very high | 92.1 | Very high | 95 Ų | 95 | 69.6 Ų | 69.6 | 37% | 0.373 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 176.4 | -175 | -100.6 | 0 | 0 | 0 | 111.5 | I56 L57 D59 K64 D65 I66 | I56-Y62 HydrophobicContact CG2-CD1 3.89Å; I56-Y62 HydrophobicContact CG2-CD2 4.1Å; I56-Y62 HydrophobicContact CG2-CE1 3.84Å; I56-Y62 HydrophobicContact CG2-CE2 4.05Å; I56-Y62 HydrophobicContact CG2-CG 4.01Å; L57-Y62 HydrophobicContact CD2-CE1 4.11Å; D59-Y62 PolarHBondContact O-N 2.82Å; D59-Y62 VanDerWaalsContact O-N 3.11Å; Y62-K64 VanDerWaalsContact C-N 3.32Å; Y62-K64 PolarHBondContact O-N 3.33Å; Y62-D65 PolarHBondContact O-N 3.13Å; Y62-I66 HydrophobicContact CD1-CG1 4.29Å; Y62-I66 HydrophobicContact CE1-CD1 4.39Å; Y62-I66 HydrophobicContact CE1-CG1 3.89Å; Y62-I66 WeakPolarHBondContact O-CG1 3.28Å; Y62-I66 PolarHBondContact O-N 3.25Å |
| 63 | Q | 92.9 | Very high | 92.4 | Very high | 45 Ų | 45 | 70.3 Ų | 70.3 | 21% | 0.21 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -58.5 | -44.6 | 176.4 | -64.6 | -173.6 | 11.4 | 0 | 0 | 112 | L57 D59 T61 I66 Q67 F96 | L57-Q63 PolarHBondContact O-NE2 3.01Å; D59-Q63 WeakPolarHBondContact O-CG 2.96Å; D59-Q63 PolarHBondContact O-N 3.04Å; T61-Q63 VanDerWaalsContact C-N 3.34Å; T61-Q63 PolarHBondContact O-N 3.26Å; Q63-I66 PolarHBondContact O-N 2.81Å; Q63-Q67 WeakPolarHBondContact O-CB 3.44Å; Q63-Q67 PolarHBondContact O-N 3.39Å; Q63-F96 HydrophobicContact CB-CD2 3.78Å; Q63-F96 HydrophobicContact CB-CE2 3.55Å; Q63-F96 HydrophobicContact CB-CG 4.37Å; Q63-F96 HydrophobicContact CB-CZ 3.98Å; Q63-F96 HydrophobicContact CG-CB 4.34Å; Q63-F96 HydrophobicContact CG-CD1 3.79Å; Q63-F96 HydrophobicContact CG-CD2 3.58Å; Q63-F96 HydrophobicContact CG-CE1 3.9Å; Q63-F96 HydrophobicContact CG-CE2 3.68Å; Q63-F96 HydrophobicContact CG-CG 3.65Å; Q63-F96 HydrophobicContact CG-CZ 3.86Å |
| 64 | K | 94.1 | Very high | 92.7 | Very high | 150 Ų | 150 | 65.6 Ų | 65.6 | 65% | 0.652 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -66.7 | -36.4 | 178.4 | -173.3 | 179.7 | -179.8 | -179.3 | 0 | 112.6 | P60 T61 Y62 Q67 G68 | P60-K64 VanDerWaalsContact O-CB 3.28Å; P60-K64 WeakPolarHBondContact O-CB 3.21Å; P60-K64 PolarHBondContact O-N 3.11Å; T61-K64 PolarHBondContact O-N 3.46Å; Y62-K64 VanDerWaalsContact C-N 3.32Å; Y62-K64 PolarHBondContact O-N 3.33Å; K64-Q67 PolarHBondContact O-N 3.49Å; K64-G68 PolarHBondContact O-N 3.46Å |
| 65 | D | 93.6 | Very high | 93 | Very high | 104 Ų | 104 | 70.4 Ų | 70.4 | 56% | 0.556 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -66.1 | -43.9 | 177.2 | -74.6 | -14.9 | 0 | 0 | 0 | 111.2 | T61 Y62 G68 A69 | T61-D65 PolarHBondContact O-N 3.08Å; Y62-D65 PolarHBondContact O-N 3.13Å; D65-G68 PolarHBondContact O-N 2.86Å; D65-A69 WeakPolarHBondContact O-CB 3.37Å; D65-A69 PolarHBondContact O-N 3.21Å |
| 66 | I | 92.1 | Very high | 93.2 | Very high | 60 Ų | 60 | 73.2 Ų | 73.2 | 31% | 0.308 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.9 | -48.3 | 173.4 | -66.2 | -64 | 0 | 0 | 0 | 110.8 | Y62 Q63 G68 A69 I70 F96 | Y62-I66 HydrophobicContact CD1-CG1 4.29Å; Y62-I66 HydrophobicContact CE1-CD1 4.39Å; Y62-I66 HydrophobicContact CE1-CG1 3.89Å; Y62-I66 WeakPolarHBondContact O-CG1 3.28Å; Y62-I66 PolarHBondContact O-N 3.25Å; Q63-I66 PolarHBondContact O-N 2.81Å; I66-G68 VanDerWaalsContact C-N 3.3Å; I66-G68 PolarHBondContact O-N 3.39Å; I66-A69 PolarHBondContact O-N 3.45Å; I66-I70 HydrophobicContact CG2-CD1 3.97Å; I66-I70 WeakPolarHBondContact O-CG1 3.26Å; I66-I70 PolarHBondContact O-N 3.23Å; I66-F96 HydrophobicContact CB-CZ 4.04Å; I66-F96 HydrophobicContact CG1-CZ 4.27Å; I66-F96 HydrophobicContact CG2-CZ 4.08Å |
| 67 | Q | 93.2 | Very high | 93.3 | Very high | 43 Ų | 43 | 73.4 Ų | 73.4 | 20% | 0.201 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -57.3 | -44.6 | 176.6 | -167.4 | -176.7 | 2.4 | 0 | 0 | 111.5 | Q63 K64 I70 K71 I88 D89 T92 | Q63-Q67 WeakPolarHBondContact O-CB 3.44Å; Q63-Q67 PolarHBondContact O-N 3.39Å; K64-Q67 PolarHBondContact O-N 3.49Å; Q67-I70 PolarHBondContact O-N 2.89Å; Q67-K71 WeakPolarHBondContact O-CB 3.42Å; Q67-K71 WeakPolarHBondContact O-CG 3.26Å; Q67-K71 PolarHBondContact O-N 3.48Å; Q67-I88 HydrophobicContact CG-CG2 3.66Å; Q67-D89 PolarHBondContact NE2-OD1 2.96Å; Q67-T92 HydrophobicContact CB-CG2 4.12Å; Q67-T92 HydrophobicContact CG-CG2 4.27Å |
| 68 | G | 93.6 | Very high | 93.3 | Very high | 28 Ų | 28 | 77.5 Ų | 77.5 | 29% | 0.289 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | K64 D65 I66 K71 N72 | K64-G68 PolarHBondContact O-N 3.46Å; D65-G68 PolarHBondContact O-N 2.86Å; I66-G68 VanDerWaalsContact C-N 3.3Å; I66-G68 PolarHBondContact O-N 3.39Å; G68-K71 PolarHBondContact O-N 2.97Å; G68-N72 VanDerWaalsContact O-CG 3.3Å; G68-N72 PolarHBondContact O-N 3.34Å; G68-N72 PolarHBondContact O-ND2 2.78Å |
| 69 | A | 93.6 | Very high | 93.4 | Very high | 55 Ų | 55 | 83.3 Ų | 83.3 | 46% | 0.455 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.9 | -45.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | D65 I66 N72 L73 | D65-A69 WeakPolarHBondContact O-CB 3.37Å; D65-A69 PolarHBondContact O-N 3.21Å; I66-A69 PolarHBondContact O-N 3.45Å; A69-N72 WeakPolarHBondContact O-CB 3.47Å; A69-N72 PolarHBondContact O-N 2.62Å; A69-L73 PolarHBondContact O-N 3.03Å |
| 70 | I | 93.7 | Very high | 93.4 | Very high | 61 Ų | 61 | 83.6 Ų | 83.6 | 31% | 0.313 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -70 | -39 | 179.1 | -55 | 164.2 | 0 | 0 | 0 | 110.9 | I66 Q67 N72 L73 C74 I88 | I66-I70 HydrophobicContact CG2-CD1 3.97Å; I66-I70 WeakPolarHBondContact O-CG1 3.26Å; I66-I70 PolarHBondContact O-N 3.23Å; Q67-I70 PolarHBondContact O-N 2.89Å; I70-N72 PolarHBondContact O-N 3.08Å; I70-L73 WeakPolarHBondContact O-CA 3.44Å; I70-L73 VanDerWaalsContact O-CB 3.28Å; I70-L73 WeakPolarHBondContact O-CB 3.31Å; I70-L73 PolarHBondContact O-N 2.95Å; I70-C74 PolarHBondContact O-N 3.02Å; I70-I88 HydrophobicContact CB-CD1 4.3Å; I70-I88 HydrophobicContact CB-CG1 4.41Å; I70-I88 HydrophobicContact CB-CG2 4.44Å; I70-I88 HydrophobicContact CG2-CD1 3.39Å; I70-I88 HydrophobicContact CG2-CG1 3.74Å |
| 71 | K | 93.7 | Very high | 93.3 | Very high | 40 Ų | 40 | 84.7 Ų | 84.7 | 17% | 0.174 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -59.9 | -34.2 | 172.7 | -77.3 | -175.5 | 169.6 | -169 | 0 | 112.9 | Q67 G68 L73 C74 R75 E85 I88 D89 | Q67-K71 WeakPolarHBondContact O-CB 3.42Å; Q67-K71 WeakPolarHBondContact O-CG 3.26Å; Q67-K71 PolarHBondContact O-N 3.48Å; G68-K71 PolarHBondContact O-N 2.97Å; K71-L73 VanDerWaalsContact C-N 3.27Å; K71-L73 PolarHBondContact O-N 2.78Å; K71-C74 WeakPolarHBondContact O-CB 3.5Å; K71-C74 PolarHBondContact O-N 3.02Å; K71-R75 WeakPolarHBondContact O-CG 3.26Å; K71-R75 PolarHBondContact O-N 2.92Å; K71-E85 HydrophobicContact CB-CG 4.41Å; K71-E85 HydrophobicContact CG-CG 4.19Å; K71-I88 HydrophobicContact CG-CB 4.33Å; K71-I88 HydrophobicContact CG-CG2 4Å; K71-D89 VanDerWaalsContact CE-CG 3.45Å; K71-D89 WeakPolarHBondContact CE-OD1 3.38Å; K71-D89 WeakPolarHBondContact CE-OD2 3.27Å; K71-D89 IonicContact NZ-OD1 3.26Å; K71-D89 PolarHBondContact NZ-OD1 2.65Å; K71-D89 IonicContact NZ-OD2 3.63Å; K71-D89 PolarHBondContact NZ-OD2 2.69Å |
| 72 | N | 93.3 | Very high | 93.2 | Very high | 79 Ų | 79 | 84.4 Ų | 84.4 | 42% | 0.422 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.2 | -34.4 | 173.9 | -72.5 | -28.5 | 0 | 0 | 0 | 111.8 | G68 A69 I70 R75 M76 | G68-N72 VanDerWaalsContact O-CG 3.3Å; G68-N72 PolarHBondContact O-N 3.34Å; G68-N72 PolarHBondContact O-ND2 2.78Å; A69-N72 WeakPolarHBondContact O-CB 3.47Å; A69-N72 PolarHBondContact O-N 2.62Å; I70-N72 PolarHBondContact O-N 3.08Å; N72-R75 PolarHBondContact O-N 3Å; N72-R75 PolarHBondContact OD1-NH1 2.79Å; N72-R75 VanDerWaalsContact OD1-NH1 3.08Å; N72-M76 WeakPolarHBondContact O-CG 3.23Å; N72-M76 PolarHBondContact O-N 3.23Å |
| 73 | L | 93.3 | Very high | 93.4 | Very high | 105 Ų | 105 | 86.7 Ų | 86.7 | 55% | 0.55 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.9 | -43.9 | 171 | -57.7 | 174.9 | 0 | 0 | 0 | 111.1 | A69 I70 K71 R75 M76 | A69-L73 PolarHBondContact O-N 3.03Å; I70-L73 WeakPolarHBondContact O-CA 3.44Å; I70-L73 VanDerWaalsContact O-CB 3.28Å; I70-L73 WeakPolarHBondContact O-CB 3.31Å; I70-L73 PolarHBondContact O-N 2.95Å; K71-L73 VanDerWaalsContact C-N 3.27Å; K71-L73 PolarHBondContact O-N 2.78Å; L73-R75 PolarHBondContact O-N 3.06Å; L73-M76 HydrophobicContact CD2-SD 4.4Å; L73-M76 WeakPolarHBondContact O-CB 3.48Å; L73-M76 PolarHBondContact O-N 3.28Å |
| 74 | C | 93.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 86.1 Ų | 86.1 | 1% | 0.007 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -54.8 | -38.5 | 174.6 | -65.2 | 0 | 0 | 0 | 0 | 112.6 | I70 K71 M76 I77 C84 E85 | I70-C74 PolarHBondContact O-N 3.02Å; K71-C74 WeakPolarHBondContact O-CB 3.5Å; K71-C74 PolarHBondContact O-N 3.02Å; C74-M76 VanDerWaalsContact C-N 3.26Å; C74-M76 PolarHBondContact O-N 3.33Å; C74-I77 PolarHBondContact O-N 3.43Å; C74-I77 VanDerWaalsContact O-N 3.16Å; C74-C84 VanDerWaalsContact CA-SG 3.5Å; C74-C84 HydrophobicContact CB-CB 3.51Å; C74-C84 WeakPolarHBondContact CB-SG 3.12Å; C74-C84 WeakPolarHBondContact SG-CB 3.19Å; C74-C84 CovalentContact SG-SG 2.03Å; C74-C84 PolarHBondContact SG-SG 2.83Å; C74-E85 HydrophobicContact CB-CG 3.91Å |
| 75 | R | 93.4 | Very high | 93.6 | Very high | 119 Ų | 119 | 80.5 Ų | 80.5 | 45% | 0.449 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -68.9 | -21.6 | 179.5 | -69.4 | 168.5 | -174.7 | 170 | -2.4 | 113.9 | K71 N72 L73 I77 R81 E85 | K71-R75 WeakPolarHBondContact O-CG 3.26Å; K71-R75 PolarHBondContact O-N 2.92Å; N72-R75 PolarHBondContact O-N 3Å; N72-R75 PolarHBondContact OD1-NH1 2.79Å; N72-R75 VanDerWaalsContact OD1-NH1 3.08Å; L73-R75 PolarHBondContact O-N 3.06Å; R75-I77 PolarHBondContact O-N 3.42Å; R75-R81 HydrophobicContact CG-CG 4.42Å; R75-E85 WeakPolarHBondContact CG-OE1 3.47Å; R75-E85 IonicContact CZ-OE1 2.75Å; R75-E85 IonicContact NE-OE1 2.73Å; R75-E85 PolarHBondContact NE-OE1 3.27Å; R75-E85 IonicContact NH2-OE1 3.44Å; R75-E85 PolarHBondContact NH2-OE1 2.85Å |
| 76 | M | 94.6 | Very high | 93.7 | Very high | 145 Ų | 145 | 80 Ų | 80 | 71% | 0.714 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -11.8 | 174.9 | -62.2 | -177.4 | -175.1 | 0 | 0 | 112.4 | N72 L73 C74 P78 | N72-M76 WeakPolarHBondContact O-CG 3.23Å; N72-M76 PolarHBondContact O-N 3.23Å; L73-M76 HydrophobicContact CD2-SD 4.4Å; L73-M76 WeakPolarHBondContact O-CB 3.48Å; L73-M76 PolarHBondContact O-N 3.28Å; C74-M76 VanDerWaalsContact C-N 3.26Å; C74-M76 PolarHBondContact O-N 3.33Å; M76-P78 WeakPolarHBondContact O-CD 3.06Å |
| 77 | I | 92.6 | Very high | 93.8 | Very high | 82 Ų | 82 | 78.7 Ų | 78.7 | 42% | 0.421 | 42% | 0.416 | S | S | . | . | trans | -115.6 | 91.5 | -178.7 | -46.5 | 176.6 | 0 | 0 | 0 | 109.3 | C74 R75 Q79 I80 R81 | C74-I77 PolarHBondContact O-N 3.43Å; C74-I77 VanDerWaalsContact O-N 3.16Å; R75-I77 PolarHBondContact O-N 3.42Å; I77-Q79 VanDerWaalsContact C-N 3.26Å; I77-Q79 PolarHBondContact O-N 3.01Å; I77-I80 HydrophobicContact CB-CG1 4.02Å; I77-I80 HydrophobicContact CD1-CD1 4.31Å; I77-I80 HydrophobicContact CG2-CD1 4.12Å; I77-I80 HydrophobicContact CG2-CG1 3.61Å; I77-I80 PolarHBondContact O-N 3.08Å; I77-R81 PolarHBondContact O-N 3.33Å; I77-R81 VanDerWaalsContact O-N 3.13Å | ||
| 78 | P | 91.7 | Very high | 93.8 | Very high | 109 Ų | 109 | 77.9 Ų | 77.9 | 71% | 0.708 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -58.4 | -34.7 | -173.5 | -26.5 | 34.8 | 0 | 0 | 0 | 114.3 | M76 I80 | M76-P78 WeakPolarHBondContact O-CD 3.06Å; P78-I80 VanDerWaalsContact C-N 3.32Å; P78-I80 PolarHBondContact O-N 3.44Å |
| 79 | Q | 94.7 | Very high | 93.9 | Very high | 181 Ų | 181 | 79.6 Ų | 79.6 | 85% | 0.846 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -64.6 | -33.6 | -173.1 | -55 | -72.4 | 40 | 0 | 0 | 113.1 | I77 | I77-Q79 VanDerWaalsContact C-N 3.26Å; I77-Q79 PolarHBondContact O-N 3.01Å |
| 80 | I | 92.7 | Very high | 93.8 | Very high | 75 Ų | 75 | 81 Ų | 81 | 39% | 0.385 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -124.4 | 12.1 | -173.6 | 61.4 | 166.7 | 0 | 0 | 0 | 112.6 | I77 P78 S82 E83 C84 | I77-I80 HydrophobicContact CB-CG1 4.02Å; I77-I80 HydrophobicContact CD1-CD1 4.31Å; I77-I80 HydrophobicContact CG2-CD1 4.12Å; I77-I80 HydrophobicContact CG2-CG1 3.61Å; I77-I80 PolarHBondContact O-N 3.08Å; P78-I80 VanDerWaalsContact C-N 3.32Å; P78-I80 PolarHBondContact O-N 3.44Å; I80-S82 VanDerWaalsContact C-N 3.32Å; I80-S82 PolarHBondContact O-N 3.37Å; I80-E83 PolarHBondContact O-N 3.44Å; I80-E83 VanDerWaalsContact O-N 3.09Å; I80-C84 WeakPolarHBondContact O-CB 3.18Å; I80-C84 PolarHBondContact O-N 2.88Å |
| 81 | R | 92.3 | Very high | 93.7 | Very high | 118 Ų | 118 | 85.6 Ų | 85.6 | 45% | 0.445 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -49 | -52.2 | -171.6 | 173.7 | -179.3 | 170.5 | 174.8 | 2.2 | 112.6 | R75 I77 E85 | R75-R81 HydrophobicContact CG-CG 4.42Å; I77-R81 PolarHBondContact O-N 3.33Å; I77-R81 VanDerWaalsContact O-N 3.13Å; R81-E85 IonicContact NE-OE2 2.57Å; R81-E85 WeakPolarHBondContact O-CB 3.21Å; R81-E85 WeakPolarHBondContact O-CG 3.49Å; R81-E85 PolarHBondContact O-N 3.46Å |
| 82 | S | 94 | Very high | 93.4 | Very high | 77 Ų | 77 | 84.1 Ų | 84.1 | 54% | 0.538 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -67.9 | -39.9 | -176.9 | -173.7 | 0 | 0 | 0 | 0 | 112.1 | I80 N86 | I80-S82 VanDerWaalsContact C-N 3.32Å; I80-S82 PolarHBondContact O-N 3.37Å; S82-N86 VanDerWaalsContact O-CB 3.3Å; S82-N86 WeakPolarHBondContact O-CB 3.39Å; S82-N86 PolarHBondContact O-N 3.03Å; S82-N86 PolarHBondContact O-ND2 3.48Å |
| 83 | E | 95 | Very high | 93.3 | Very high | 144 Ų | 144 | 83.4 Ų | 83.4 | 67% | 0.673 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -66.1 | -44.8 | 179.4 | -175 | 175.5 | -179.9 | 0 | 0 | 110.8 | I80 N86 A87 | I80-E83 PolarHBondContact O-N 3.44Å; I80-E83 VanDerWaalsContact O-N 3.09Å; E83-N86 PolarHBondContact O-N 3.28Å; E83-A87 WeakPolarHBondContact O-CB 3.13Å; E83-A87 PolarHBondContact O-N 2.91Å |
| 84 | C | 96.1 | Very high | 93.2 | Very high | 33 Ų | 33 | 80.3 Ų | 80.3 | 22% | 0.223 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -61.8 | -49.7 | 175 | -173.7 | 0 | 0 | 0 | 0 | 111.2 | C74 I80 N86 A87 I88 | C74-C84 VanDerWaalsContact CA-SG 3.5Å; C74-C84 HydrophobicContact CB-CB 3.51Å; C74-C84 WeakPolarHBondContact CB-SG 3.12Å; C74-C84 WeakPolarHBondContact SG-CB 3.19Å; C74-C84 CovalentContact SG-SG 2.03Å; C74-C84 PolarHBondContact SG-SG 2.83Å; I80-C84 WeakPolarHBondContact O-CB 3.18Å; I80-C84 PolarHBondContact O-N 2.88Å; C84-N86 VanDerWaalsContact C-N 3.33Å; C84-N86 PolarHBondContact O-N 2.93Å; C84-A87 WeakPolarHBondContact O-CB 3.48Å; C84-A87 PolarHBondContact O-N 3.3Å; C84-I88 VanDerWaalsContact O-CG1 3.32Å; C84-I88 WeakPolarHBondContact O-CG1 3.39Å; C84-I88 PolarHBondContact O-N 3.27Å |
| 85 | E | 95.3 | Very high | 93.1 | Very high | 31 Ų | 31 | 85.2 Ų | 85.2 | 15% | 0.145 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -59.7 | -42 | 178.4 | -74.3 | -174.8 | 139 | 0 | 0 | 112 | K71 C74 R75 R81 I88 D89 | K71-E85 HydrophobicContact CB-CG 4.41Å; K71-E85 HydrophobicContact CG-CG 4.19Å; C74-E85 HydrophobicContact CB-CG 3.91Å; R75-E85 WeakPolarHBondContact CG-OE1 3.47Å; R75-E85 IonicContact CZ-OE1 2.75Å; R75-E85 IonicContact NE-OE1 2.73Å; R75-E85 PolarHBondContact NE-OE1 3.27Å; R75-E85 IonicContact NH2-OE1 3.44Å; R75-E85 PolarHBondContact NH2-OE1 2.85Å; R81-E85 IonicContact NE-OE2 2.57Å; R81-E85 WeakPolarHBondContact O-CB 3.21Å; R81-E85 WeakPolarHBondContact O-CG 3.49Å; R81-E85 PolarHBondContact O-N 3.46Å; E85-I88 PolarHBondContact O-N 3.48Å; E85-D89 PolarHBondContact O-N 3.35Å |
| 86 | N | 95 | Very high | 93 | Very high | 93 Ų | 93 | 80.2 Ų | 80.2 | 50% | 0.497 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66.2 | -38.2 | 176.8 | -70.6 | -18 | 0 | 0 | 0 | 112.5 | S82 E83 C84 D89 S90 | S82-N86 VanDerWaalsContact O-CB 3.3Å; S82-N86 WeakPolarHBondContact O-CB 3.39Å; S82-N86 PolarHBondContact O-N 3.03Å; S82-N86 PolarHBondContact O-ND2 3.48Å; E83-N86 PolarHBondContact O-N 3.28Å; C84-N86 VanDerWaalsContact C-N 3.33Å; C84-N86 PolarHBondContact O-N 2.93Å; N86-D89 PolarHBondContact O-N 3.43Å; N86-S90 PolarHBondContact O-N 3.08Å; N86-S90 VanDerWaalsContact O-N 3.09Å; N86-S90 PolarHBondContact O-OG 2.9Å |
| 87 | A | 94.2 | Very high | 92.8 | Very high | 33 Ų | 33 | 79.1 Ų | 79.1 | 27% | 0.273 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.5 | -47.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | E83 C84 D89 S90 Y91 | E83-A87 WeakPolarHBondContact O-CB 3.13Å; E83-A87 PolarHBondContact O-N 2.91Å; C84-A87 WeakPolarHBondContact O-CB 3.48Å; C84-A87 PolarHBondContact O-N 3.3Å; A87-D89 VanDerWaalsContact C-N 3.29Å; A87-D89 PolarHBondContact O-N 3.41Å; A87-S90 PolarHBondContact O-N 3.44Å; A87-Y91 HydrophobicContact CB-CD2 4.02Å; A87-Y91 HydrophobicContact CB-CE2 4.02Å; A87-Y91 WeakPolarHBondContact O-CB 3.19Å; A87-Y91 WeakPolarHBondContact O-CD2 3.38Å; A87-Y91 PolarHBondContact O-N 3.13Å |
| 88 | I | 94.4 | Very high | 92.8 | Very high | 27 Ų | 27 | 80.3 Ų | 80.3 | 14% | 0.138 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -58.7 | -42.5 | 176 | -63.4 | -47.7 | 0 | 0 | 0 | 111 | Q67 I70 K71 C84 E85 S90 T92 | Q67-I88 HydrophobicContact CG-CG2 3.66Å; I70-I88 HydrophobicContact CB-CD1 4.3Å; I70-I88 HydrophobicContact CB-CG1 4.41Å; I70-I88 HydrophobicContact CB-CG2 4.44Å; I70-I88 HydrophobicContact CG2-CD1 3.39Å; I70-I88 HydrophobicContact CG2-CG1 3.74Å; K71-I88 HydrophobicContact CG-CB 4.33Å; K71-I88 HydrophobicContact CG-CG2 4Å; C84-I88 VanDerWaalsContact O-CG1 3.32Å; C84-I88 WeakPolarHBondContact O-CG1 3.39Å; C84-I88 PolarHBondContact O-N 3.27Å; E85-I88 PolarHBondContact O-N 3.48Å; I88-S90 PolarHBondContact O-N 3.08Å; I88-T92 VanDerWaalsContact O-CB 3.22Å; I88-T92 WeakPolarHBondContact O-CB 3.46Å; I88-T92 PolarHBondContact O-N 2.75Å; I88-T92 PolarHBondContact O-OG1 3.41Å |
| 89 | D | 94 | Very high | 92.6 | Very high | 64 Ų | 64 | 78.2 Ų | 78.2 | 34% | 0.342 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.1 | -31.6 | 175.9 | -75.6 | -23.8 | 0 | 0 | 0 | 114.1 | Q67 K71 E85 N86 A87 P93 | Q67-D89 PolarHBondContact NE2-OD1 2.96Å; K71-D89 VanDerWaalsContact CE-CG 3.45Å; K71-D89 WeakPolarHBondContact CE-OD1 3.38Å; K71-D89 WeakPolarHBondContact CE-OD2 3.27Å; K71-D89 IonicContact NZ-OD1 3.26Å; K71-D89 PolarHBondContact NZ-OD1 2.65Å; K71-D89 IonicContact NZ-OD2 3.63Å; K71-D89 PolarHBondContact NZ-OD2 2.69Å; E85-D89 PolarHBondContact O-N 3.35Å; N86-D89 PolarHBondContact O-N 3.43Å; A87-D89 VanDerWaalsContact C-N 3.29Å; A87-D89 PolarHBondContact O-N 3.41Å; D89-P93 WeakPolarHBondContact O-CD 3.1Å |
| 90 | S | 92.3 | Very high | 92.5 | Very high | 85 Ų | 85 | 71.1 Ų | 71.1 | 59% | 0.594 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -86.7 | -38.8 | -177.6 | -54.6 | 0 | 0 | 0 | 0 | 112.6 | N86 A87 I88 | N86-S90 PolarHBondContact O-N 3.08Å; N86-S90 VanDerWaalsContact O-N 3.09Å; N86-S90 PolarHBondContact O-OG 2.9Å; A87-S90 PolarHBondContact O-N 3.44Å; I88-S90 PolarHBondContact O-N 3.08Å |
| 91 | Y | 91.9 | Very high | 92.3 | Very high | 156 Ų | 156 | 71.3 Ų | 71.3 | 61% | 0.612 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -90.1 | -35.8 | -172.2 | -68.9 | -61.3 | 0 | 0 | 0 | 113.6 | A87 A94 I95 | A87-Y91 HydrophobicContact CB-CD2 4.02Å; A87-Y91 HydrophobicContact CB-CE2 4.02Å; A87-Y91 WeakPolarHBondContact O-CB 3.19Å; A87-Y91 WeakPolarHBondContact O-CD2 3.38Å; A87-Y91 PolarHBondContact O-N 3.13Å; Y91-A94 PolarHBondContact O-N 3.47Å; Y91-I95 VanDerWaalsContact O-CG1 3.32Å; Y91-I95 WeakPolarHBondContact O-CG1 3.39Å; Y91-I95 PolarHBondContact O-N 3.44Å |
| 92 | T | 88.1 | Confident | 91.7 | Very high | 9 Ų | 9 | 71.4 Ų | 71.4 | 6% | 0.055 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -58.2 | -43.8 | -174.6 | -63.6 | 0 | 0 | 0 | 0 | 113.4 | Q67 I88 A94 I95 F96 | Q67-T92 HydrophobicContact CB-CG2 4.12Å; Q67-T92 HydrophobicContact CG-CG2 4.27Å; I88-T92 VanDerWaalsContact O-CB 3.22Å; I88-T92 WeakPolarHBondContact O-CB 3.46Å; I88-T92 PolarHBondContact O-N 2.75Å; I88-T92 PolarHBondContact O-OG1 3.41Å; T92-A94 PolarHBondContact O-N 3.21Å; T92-I95 PolarHBondContact O-N 3.27Å; T92-F96 HydrophobicContact CG2-CD2 3.57Å; T92-F96 HydrophobicContact CG2-CE2 3.32Å; T92-F96 VanDerWaalsContact O-CD2 3.26Å; T92-F96 WeakPolarHBondContact O-CD2 3.2Å; T92-F96 PolarHBondContact O-N 3.11Å; T92-F96 VanDerWaalsContact O-N 3.09Å |
| 93 | P | 90.5 | Very high | 91.2 | Very high | 65 Ų | 65 | 68.2 Ų | 68.2 | 42% | 0.422 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59 | -46.4 | 176.5 | -24.9 | 35.5 | 0 | 0 | 0 | 113 | D89 I95 F96 E97 | D89-P93 WeakPolarHBondContact O-CD 3.1Å; P93-I95 VanDerWaalsContact C-N 3.31Å; P93-I95 PolarHBondContact O-N 3.22Å; P93-F96 PolarHBondContact O-N 2.6Å; P93-E97 WeakPolarHBondContact O-CB 3.35Å; P93-E97 PolarHBondContact O-N 2.87Å |
| 94 | A | 91.2 | Very high | 90.5 | Very high | 40 Ų | 40 | 64.3 Ų | 64.3 | 33% | 0.331 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.6 | -34 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y91 T92 N98 | Y91-A94 PolarHBondContact O-N 3.47Å; T92-A94 PolarHBondContact O-N 3.21Å; A94-N98 WeakPolarHBondContact O-CB 3.47Å; A94-N98 PolarHBondContact O-N 2.83Å; A94-N98 PolarHBondContact O-ND2 3.18Å |
| 95 | I | 90.9 | Very high | 89.5 | Confident | 103 Ų | 103 | 69.3 Ų | 69.3 | 53% | 0.528 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.5 | -45.4 | 175.7 | -69.6 | 165.7 | 0 | 0 | 0 | 110.6 | Y91 T92 P93 L99 | Y91-I95 VanDerWaalsContact O-CG1 3.32Å; Y91-I95 WeakPolarHBondContact O-CG1 3.39Å; Y91-I95 PolarHBondContact O-N 3.44Å; T92-I95 PolarHBondContact O-N 3.27Å; P93-I95 VanDerWaalsContact C-N 3.31Å; P93-I95 PolarHBondContact O-N 3.22Å; I95-L99 VanDerWaalsContact O-CB 3.32Å; I95-L99 WeakPolarHBondContact O-CB 3.35Å; I95-L99 PolarHBondContact O-N 2.73Å |
| 96 | F | 91.6 | Very high | 88.2 | Confident | 15 Ų | 15 | 72.4 Ų | 72.4 | 7% | 0.066 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.4 | -41.1 | 177.8 | -78.2 | -63.1 | 0 | 0 | 0 | 112.1 | L57 Q63 I66 T92 P93 L99 L100 | L57-F96 HydrophobicContact CD2-CD1 4.13Å; L57-F96 HydrophobicContact CD2-CE1 3.84Å; Q63-F96 HydrophobicContact CB-CD2 3.78Å; Q63-F96 HydrophobicContact CB-CE2 3.55Å; Q63-F96 HydrophobicContact CB-CG 4.37Å; Q63-F96 HydrophobicContact CB-CZ 3.98Å; Q63-F96 HydrophobicContact CG-CB 4.34Å; Q63-F96 HydrophobicContact CG-CD1 3.79Å; Q63-F96 HydrophobicContact CG-CD2 3.58Å; Q63-F96 HydrophobicContact CG-CE1 3.9Å; Q63-F96 HydrophobicContact CG-CE2 3.68Å; Q63-F96 HydrophobicContact CG-CG 3.65Å; Q63-F96 HydrophobicContact CG-CZ 3.86Å; I66-F96 HydrophobicContact CB-CZ 4.04Å; I66-F96 HydrophobicContact CG1-CZ 4.27Å; I66-F96 HydrophobicContact CG2-CZ 4.08Å; T92-F96 HydrophobicContact CG2-CD2 3.57Å; T92-F96 HydrophobicContact CG2-CE2 3.32Å; T92-F96 VanDerWaalsContact O-CD2 3.26Å; T92-F96 WeakPolarHBondContact O-CD2 3.2Å; T92-F96 PolarHBondContact O-N 3.11Å; T92-F96 VanDerWaalsContact O-N 3.09Å; P93-F96 PolarHBondContact O-N 2.6Å; F96-L99 PolarHBondContact O-N 3.01Å; F96-L100 WeakPolarHBondContact O-CB 3.41Å; F96-L100 VanDerWaalsContact O-CG 3.3Å; F96-L100 WeakPolarHBondContact O-CG 3.3Å; F96-L100 PolarHBondContact O-N 3.43Å |
| 97 | E | 91.6 | Very high | 86.9 | Confident | 122 Ų | 122 | 73.1 Ų | 73.1 | 57% | 0.57 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -58.3 | -53.5 | 174.6 | -174.4 | 175.4 | -170 | 0 | 0 | 111.2 | P93 L99 L100 D101 | P93-E97 WeakPolarHBondContact O-CB 3.35Å; P93-E97 PolarHBondContact O-N 2.87Å; E97-L99 PolarHBondContact O-N 2.9Å; E97-L100 PolarHBondContact O-N 2.86Å; E97-L100 VanDerWaalsContact O-N 3.12Å; E97-D101 PolarHBondContact O-N 2.74Å |
| 98 | N | 91.1 | Very high | 85.1 | Confident | 106 Ų | 106 | 76.5 Ų | 76.5 | 57% | 0.567 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -58.7 | -36.2 | 177.7 | -74.2 | -47.4 | 0 | 0 | 0 | 112.9 | A94 Y102 | A94-N98 WeakPolarHBondContact O-CB 3.47Å; A94-N98 PolarHBondContact O-N 2.83Å; A94-N98 PolarHBondContact O-ND2 3.18Å; N98-Y102 WeakPolarHBondContact O-CB 3.19Å; N98-Y102 PolarHBondContact O-N 2.9Å |
| 99 | L | 88.7 | Confident | 83.1 | Confident | 65 Ų | 65 | 78.7 Ų | 78.7 | 34% | 0.34 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -72.3 | -39.2 | 179.1 | -176 | 59.1 | 0 | 0 | 0 | 111.6 | L57 I95 F96 E97 Y102 L103 | L57-L99 HydrophobicContact CD1-CD2 3.35Å; L57-L99 HydrophobicContact CD1-CG 3.68Å; L57-L99 HydrophobicContact CD2-CD2 3.69Å; L57-L99 HydrophobicContact CG-CD2 4.09Å; I95-L99 VanDerWaalsContact O-CB 3.32Å; I95-L99 WeakPolarHBondContact O-CB 3.35Å; I95-L99 PolarHBondContact O-N 2.73Å; F96-L99 PolarHBondContact O-N 3.01Å; E97-L99 PolarHBondContact O-N 2.9Å; L99-Y102 PolarHBondContact O-N 2.72Å; L99-L103 HydrophobicContact CG-CD1 4.49Å; L99-L103 VanDerWaalsContact O-CG 3.26Å; L99-L103 WeakPolarHBondContact O-CG 3.42Å; L99-L103 PolarHBondContact O-N 3.03Å; L99-L103 VanDerWaalsContact O-N 3.08Å |
| 100 | L | 91 | Very high | 80.9 | Confident | 33 Ų | 33 | 82.2 Ų | 82.2 | 17% | 0.173 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -65.1 | -44.8 | 173.7 | -72.9 | 168.8 | 0 | 0 | 0 | 110.9 | T54 L57 F96 E97 Y102 L103 D104 | T54-L100 HydrophobicContact CG2-CD2 4.02Å; L57-L100 HydrophobicContact CB-CD2 4.02Å; F96-L100 WeakPolarHBondContact O-CB 3.41Å; F96-L100 VanDerWaalsContact O-CG 3.3Å; F96-L100 WeakPolarHBondContact O-CG 3.3Å; F96-L100 PolarHBondContact O-N 3.43Å; E97-L100 PolarHBondContact O-N 2.86Å; E97-L100 VanDerWaalsContact O-N 3.12Å; L100-Y102 VanDerWaalsContact C-N 3.32Å; L100-Y102 PolarHBondContact O-N 2.62Å; L100-L103 PolarHBondContact O-N 3.33Å; L100-L103 VanDerWaalsContact O-N 3.08Å; L100-D104 WeakPolarHBondContact O-CB 3.29Å; L100-D104 PolarHBondContact O-N 2.92Å |
| 101 | D | 88.8 | Confident | 78.7 | Confident | 79 Ų | 79 | 84.2 Ų | 84.2 | 42% | 0.422 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -57.1 | -46.6 | 175.1 | -73.2 | -16.5 | 0 | 0 | 0 | 111.2 | E97 L103 D104 E105 | E97-D101 PolarHBondContact O-N 2.74Å; D101-L103 VanDerWaalsContact C-N 3.28Å; D101-L103 PolarHBondContact O-N 3.47Å; D101-D104 PolarHBondContact O-N 3.47Å; D101-E105 WeakPolarHBondContact O-CG 3.46Å; D101-E105 PolarHBondContact O-N 3.27Å |
| 102 | Y | 80.7 | Confident | 76.6 | Confident | 119 Ų | 119 | 79.4 Ų | 79.4 | 47% | 0.467 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.2 | -37.3 | 176.7 | 178.4 | -97 | 0 | 0 | 0 | 112.6 | N98 L99 L100 R106 | N98-Y102 WeakPolarHBondContact O-CB 3.19Å; N98-Y102 PolarHBondContact O-N 2.9Å; L99-Y102 PolarHBondContact O-N 2.72Å; L100-Y102 VanDerWaalsContact C-N 3.32Å; L100-Y102 PolarHBondContact O-N 2.62Å; Y102-R106 VanDerWaalsContact O-CG 3.26Å; Y102-R106 WeakPolarHBondContact O-CG 3.33Å; Y102-R106 PolarHBondContact OH-NH2 2.96Å |
| 103 | L | 82.4 | Confident | 74.6 | Confident | 11 Ų | 11 | 80.7 Ų | 80.7 | 6% | 0.058 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -75.8 | -37.7 | 177.7 | -66.6 | 171.6 | 0 | 0 | 0 | 111.9 | V50 M53 T54 L57 L99 L100 D101 R106 K107 | V50-L103 HydrophobicContact CG1-CB 4.31Å; V50-L103 HydrophobicContact CG1-CD2 4.2Å; M53-L103 HydrophobicContact CB-CD1 3.92Å; M53-L103 HydrophobicContact CB-CD2 4.45Å; T54-L103 VanDerWaalsContact OG1-CB 3.31Å; T54-L103 WeakPolarHBondContact OG1-CB 3.3Å; L57-L103 HydrophobicContact CD1-CD1 3.53Å; L99-L103 HydrophobicContact CG-CD1 4.49Å; L99-L103 VanDerWaalsContact O-CG 3.26Å; L99-L103 WeakPolarHBondContact O-CG 3.42Å; L99-L103 PolarHBondContact O-N 3.03Å; L99-L103 VanDerWaalsContact O-N 3.08Å; L100-L103 PolarHBondContact O-N 3.33Å; L100-L103 VanDerWaalsContact O-N 3.08Å; D101-L103 VanDerWaalsContact C-N 3.28Å; D101-L103 PolarHBondContact O-N 3.47Å; L103-R106 WeakPolarHBondContact O-CB 3.44Å; L103-R106 PolarHBondContact O-N 3.28Å; L103-R106 VanDerWaalsContact O-N 3.08Å; L103-K107 PolarHBondContact O-N 2.98Å |
| 104 | D | 80.8 | Confident | 72.5 | Confident | 62 Ų | 62 | 80.5 Ų | 80.5 | 33% | 0.332 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66.8 | -38.2 | 177.3 | -81.3 | -11.1 | 0 | 0 | 0 | 112 | L100 D101 R106 K107 N108 | L100-D104 WeakPolarHBondContact O-CB 3.29Å; L100-D104 PolarHBondContact O-N 2.92Å; D101-D104 PolarHBondContact O-N 3.47Å; D104-R106 PolarHBondContact O-N 3.43Å; D104-K107 PolarHBondContact O-N 3.47Å; D104-K107 VanDerWaalsContact O-N 3.13Å; D104-N108 WeakPolarHBondContact O-CB 3.21Å; D104-N108 PolarHBondContact O-N 2.89Å; D104-N108 PolarHBondContact O-ND2 3.37Å |
| 105 | E | 75.8 | Confident | 70.6 | Confident | 137 Ų | 137 | 79.9 Ų | 79.9 | 64% | 0.64 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -57.6 | -32.5 | 170.5 | -77.6 | -177.1 | 177.3 | 0 | 0 | 112.1 | D101 | D101-E105 WeakPolarHBondContact O-CG 3.46Å; D101-E105 PolarHBondContact O-N 3.27Å |
| 106 | R | 67.3 | Low | 68.1 | Low | 97 Ų | 97 | 80.9 Ų | 80.9 | 37% | 0.366 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -81.8 | -26.9 | 177.9 | -63 | -69.4 | -170.2 | 164.3 | 3.2 | 112.9 | V50 Y102 L103 D104 T109 | V50-R106 HydrophobicContact CG1-CB 4.5Å; Y102-R106 VanDerWaalsContact O-CG 3.26Å; Y102-R106 WeakPolarHBondContact O-CG 3.33Å; Y102-R106 PolarHBondContact OH-NH2 2.96Å; L103-R106 WeakPolarHBondContact O-CB 3.44Å; L103-R106 PolarHBondContact O-N 3.28Å; L103-R106 VanDerWaalsContact O-N 3.08Å; D104-R106 PolarHBondContact O-N 3.43Å; R106-T109 PolarHBondContact O-OG1 3.33Å |
| 107 | K | 67.2 | Low | 65.8 | Low | 107 Ų | 107 | 87.3 Ų | 87.3 | 47% | 0.465 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -78.5 | -41.9 | 177.2 | -177.7 | 173.3 | -178.9 | 153.4 | 0 | 112.6 | D51 L103 D104 T109 | D51-K107 WeakPolarHBondContact OD1-CD 3.28Å; D51-K107 VanDerWaalsContact OD1-CE 3.29Å; D51-K107 WeakPolarHBondContact OD1-CE 2.88Å; D51-K107 IonicContact OD1-NZ 2.8Å; D51-K107 PolarHBondContact OD1-NZ 2.72Å; L103-K107 PolarHBondContact O-N 2.98Å; D104-K107 PolarHBondContact O-N 3.47Å; D104-K107 VanDerWaalsContact O-N 3.13Å; K107-T109 PolarHBondContact O-N 3.42Å |
| 108 | N | 57.6 | Low | 63.4 | Low | 105 Ų | 105 | 85.6 Ų | 85.6 | 56% | 0.561 | 45% | 0.447 | S | S | * | . | trans | -87.3 | 2.6 | -168.8 | -67.1 | -33.9 | 0 | 0 | 0 | 114.7 | D104 N110 | D104-N108 WeakPolarHBondContact O-CB 3.21Å; D104-N108 PolarHBondContact O-N 2.89Å; D104-N108 PolarHBondContact O-ND2 3.37Å; N108-N110 PolarHBondContact O-N 3.45Å | ||
| 109 | T | 51.5 | Low | 60.9 | Low | 72 Ų | 72 | 89.5 Ų | 89.5 | 44% | 0.442 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -69.3 | 83.3 | 162.7 | 54.4 | 0 | 0 | 0 | 0 | 108.7 | R106 K107 S111 | R106-T109 PolarHBondContact O-OG1 3.33Å; K107-T109 PolarHBondContact O-N 3.42Å; T109-S111 PolarHBondContact O-N 2.86Å |
| 110 | N | 47.2 | Very low | 58.5 | Low | 139 Ų | 139 | 87.8 Ų | 87.8 | 74% | 0.743 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43.1 | 128 | -177.1 | -82.7 | -28.9 | 0 | 0 | 0 | 113 | N108 T112 | N108-N110 PolarHBondContact O-N 3.45Å; N110-T112 PolarHBondContact O-N 3.05Å |
| 111 | S | 47 | Very low | 56.2 | Low | 127 Ų | 127 | 92.8 Ų | 92.8 | 89% | 0.888 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | -0.4 | 158.1 | 57.7 | 0 | 0 | 0 | 0 | 119.8 | T109 | T109-S111 PolarHBondContact O-N 2.86Š|
| 112 | T | 47.5 | Very low | 53.9 | Low | 54 Ų | 54 | 92.8 Ų | 92.8 | 33% | 0.331 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -133.3 | 118.1 | -178.9 | -78.7 | 0 | 0 | 0 | 0 | 107 | N110 P114 E116 | N110-T112 PolarHBondContact O-N 3.05Å; T112-P114 VanDerWaalsContact O-N 3.13Å; T112-E116 WeakPolarHBondContact CB-OE2 3.46Å; T112-E116 HydrophobicContact CG2-CB 3.4Å; T112-E116 HydrophobicContact CG2-CG 4.21Å; T112-E116 WeakPolarHBondContact CG2-OE2 3Å; T112-E116 PolarHBondContact OG1-OE2 2.89Å |
| 113 | C | 45.7 | Very low | 52.1 | Low | 36 Ų | 36 | 90.3 Ų | 90.3 | 24% | 0.243 | 51% | 0.506 | C | S | . | . | trans | -40.4 | 128.1 | 163.3 | -60 | 0 | 0 | 0 | 0 | 106.9 | C43 F115 E116 | C43-C113 HydrophobicContact CB-CB 3.98Å; C43-C113 WeakPolarHBondContact CB-SG 3.38Å; C43-C113 WeakPolarHBondContact SG-CB 3.04Å; C43-C113 CovalentContact SG-SG 2.01Å; C43-C113 PolarHBondContact SG-SG 3.38Å; C113-F115 PolarHBondContact O-N 2.79Å; C113-E116 PolarHBondContact O-N 3.04Å | ||
| 114 | P | 47.7 | Very low | 50.2 | Low | 61 Ų | 61 | 93.7 Ų | 93.7 | 40% | 0.396 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 2.9 | -174 | -24 | 32.1 | 0 | 0 | 0 | 114.7 | T112 | T112-P114 VanDerWaalsContact O-N 3.13Š|
| 115 | F | 50.1 | Low | 48.4 | Very low | 27 Ų | 27 | 93.3 Ų | 93.3 | 12% | 0.118 | 52% | 0.524 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | 1.4 | -173.1 | -54.1 | -53.8 | 0 | 0 | 0 | 113.5 | C113 N117 A126 E127 F130 | C113-F115 PolarHBondContact O-N 2.79Å; F115-N117 PolarHBondContact O-N 2.97Å; F115-A126 HydrophobicContact CB-CB 3.75Å; F115-A126 HydrophobicContact CD1-CB 4.44Å; F115-A126 WeakPolarHBondContact O-CB 3.27Å; F115-E127 HydrophobicContact CB-CB 3.8Å; F115-E127 HydrophobicContact CB-CG 3.98Å; F115-E127 HydrophobicContact CD2-CB 4.46Å; F115-E127 HydrophobicContact CG-CB 4.23Å; F115-F130 HydrophobicContact CD1-CB 4.43Å; F115-F130 AromaticContact CD1-CD2 3.88Å; F115-F130 HydrophobicContact CD1-CD2 3.88Å; F115-F130 HydrophobicContact CD1-CG 4.4Å; F115-F130 HydrophobicContact CE1-CB 3.39Å; F115-F130 HydrophobicContact CE1-CD1 4.35Å; F115-F130 AromaticContact CE1-CD2 3.3Å; F115-F130 HydrophobicContact CE1-CD2 3.3Å; F115-F130 HydrophobicContact CE1-CE2 4.14Å; F115-F130 AromaticContact CE1-CG 3.41Å; F115-F130 HydrophobicContact CE1-CG 3.41Å; F115-F130 VanDerWaalsContact CE1-CG 3.41Å; F115-F130 HydrophobicContact CZ-CB 3.44Å; F115-F130 VanDerWaalsContact CZ-CB 3.44Å; F115-F130 HydrophobicContact CZ-CD2 4.26Å; F115-F130 AromaticContact CZ-CG 3.95Å; F115-F130 HydrophobicContact CZ-CG 3.95Å |
| 116 | E | 39.7 | Very low | 46.7 | Very low | 125 Ų | 125 | 86.9 Ų | 86.9 | 58% | 0.584 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -7.4 | -173.5 | -161.7 | 168.6 | -170.4 | 0 | 0 | 114.5 | T112 C113 | T112-E116 WeakPolarHBondContact CB-OE2 3.46Å; T112-E116 HydrophobicContact CG2-CB 3.4Å; T112-E116 HydrophobicContact CG2-CG 4.21Å; T112-E116 WeakPolarHBondContact CG2-OE2 3Å; T112-E116 PolarHBondContact OG1-OE2 2.89Å; C113-E116 PolarHBondContact O-N 3.04Å |
| 117 | N | 43.1 | Very low | 45.5 | Very low | 150 Ų | 150 | 83.5 Ų | 83.5 | 80% | 0.802 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.5 | 10.2 | -174.8 | -70.8 | -58.9 | 0 | 0 | 0 | 117.5 | F115 | F115-N117 PolarHBondContact O-N 2.97Š|
| 118 | I | 40.9 | Very low | 44 | Very low | 86 Ų | 86 | 80.7 Ų | 80.7 | 44% | 0.441 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -99.9 | 120.9 | 175.8 | -39.7 | 168.2 | 0 | 0 | 0 | 109.4 | A126 F130 | I118-A126 HydrophobicContact CB-CB 3.28Å; I118-A126 HydrophobicContact CD1-CB 4.05Å; I118-A126 HydrophobicContact CG1-CB 3.82Å; I118-A126 HydrophobicContact CG2-CB 4.38Å; I118-A126 WeakPolarHBondContact O-CA 3.42Å; I118-A126 VanDerWaalsContact O-CB 3.26Å; I118-A126 WeakPolarHBondContact O-CB 3.34Å; I118-A126 PolarHBondContact O-N 3.36Å; I118-F130 HydrophobicContact CD1-CE2 4.15Å |
| 119 | K | 38.9 | Very low | 43.5 | Very low | 187 Ų | 187 | 78.6 Ų | 78.6 | 81% | 0.813 | 47% | 0.466 | S | S | * | . | B | Isolated β-bridge | trans | -92.8 | 122.3 | 167 | -62.6 | 179.9 | -177.7 | 179.7 | 0 | 107.2 | ||
| 120 | T | 38 | Very low | 43.3 | Very low | 30 Ų | 30 | 79.9 Ų | 79.9 | 18% | 0.184 | 47% | 0.466 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 161 | 167.9 | 69.7 | 0 | 0 | 0 | 0 | 109.4 | S122 G123 L124 V129 | T120-S122 PolarHBondContact O-N 2.85Å; T120-S122 PolarHBondContact OG1-OG 3.35Å; T120-G123 PolarHBondContact O-N 2.64Å; T120-L124 HydrophobicContact CG2-CB 4.16Å; T120-L124 WeakPolarHBondContact CG2-O 3.43Å; T120-L124 PolarHBondContact N-O 3.46Å; T120-L124 WeakPolarHBondContact OG1-CA 3.26Å; T120-L124 WeakPolarHBondContact OG1-CB 3.32Å; T120-L124 PolarHBondContact OG1-N 2.9Å; T120-L124 PolarHBondContact OG1-O 2.93Å; T120-L124 VanDerWaalsContact OG1-O 3.05Å; T120-V129 HydrophobicContact CG2-CG2 4.29Å |
| 121 | S | 42.6 | Very low | 43 | Very low | 138 Ų | 138 | 77.3 Ų | 77.3 | 97% | 0.965 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -3.9 | 176.7 | 56.6 | 0 | 0 | 0 | 0 | 115 | ||
| 122 | S | 40.7 | Very low | 42.8 | Very low | 79 Ų | 79 | 75.1 Ų | 75.1 | 55% | 0.552 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.6 | 8.7 | 178.7 | 51.1 | 0 | 0 | 0 | 0 | 114 | T120 L124 | T120-S122 PolarHBondContact O-N 2.85Å; T120-S122 PolarHBondContact OG1-OG 3.35Å; S122-L124 PolarHBondContact O-N 3.39Å |
| 123 | G | 42.6 | Very low | 42.5 | Very low | 67 Ų | 67 | 75.3 Ų | 75.3 | 69% | 0.691 | 44% | 0.435 | S | S | * | . | S | Bend | trans | 70.2 | 17.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | T120 | T120-G123 PolarHBondContact O-N 2.64Š|
| 124 | L | 42.9 | Very low | 42.4 | Very low | 82 Ų | 82 | 75.2 Ų | 75.2 | 43% | 0.429 | 44% | 0.44 | S | S | . | . | trans | -88 | 149.4 | 171.9 | -108.8 | 71.6 | 0 | 0 | 0 | 109.7 | T120 S122 | T120-L124 HydrophobicContact CG2-CB 4.16Å; T120-L124 WeakPolarHBondContact CG2-O 3.43Å; T120-L124 PolarHBondContact N-O 3.46Å; T120-L124 WeakPolarHBondContact OG1-CA 3.26Å; T120-L124 WeakPolarHBondContact OG1-CB 3.32Å; T120-L124 PolarHBondContact OG1-N 2.9Å; T120-L124 PolarHBondContact OG1-O 2.93Å; T120-L124 VanDerWaalsContact OG1-O 3.05Å; S122-L124 PolarHBondContact O-N 3.39Å | ||
| 125 | P | 41.6 | Very low | 42.3 | Very low | 54 Ų | 54 | 78 Ų | 78 | 35% | 0.351 | 45% | 0.452 | S | S | . | . | B | Isolated β-bridge | trans | -74 | 142.4 | 174.7 | 31.3 | -33.9 | 0 | 0 | 0 | 111.6 | V39 E127 C128 | V39-P125 HydrophobicContact CG2-CG 4.23Å; P125-E127 HydrophobicContact CB-CG 3.67Å; P125-E127 WeakPolarHBondContact CB-OE1 3.08Å; P125-E127 HydrophobicContact CG-CG 4.08Å; P125-E127 PolarHBondContact O-N 3.43Å; P125-C128 PolarHBondContact O-N 3Å |
| 126 | A | 40.1 | Very low | 42 | Very low | 1 Ų | 1 | 79.1 Ų | 79.1 | 1% | 0.008 | 46% | 0.463 | C | S | . | . | G | 310 helix | trans | -27.8 | -30.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | F115 I118 C128 V129 | F115-A126 HydrophobicContact CB-CB 3.75Å; F115-A126 HydrophobicContact CD1-CB 4.44Å; F115-A126 WeakPolarHBondContact O-CB 3.27Å; I118-A126 HydrophobicContact CB-CB 3.28Å; I118-A126 HydrophobicContact CD1-CB 4.05Å; I118-A126 HydrophobicContact CG1-CB 3.82Å; I118-A126 HydrophobicContact CG2-CB 4.38Å; I118-A126 WeakPolarHBondContact O-CA 3.42Å; I118-A126 VanDerWaalsContact O-CB 3.26Å; I118-A126 WeakPolarHBondContact O-CB 3.34Å; I118-A126 PolarHBondContact O-N 3.36Å; A126-C128 PolarHBondContact O-N 3.2Å; A126-V129 PolarHBondContact O-N 3.5Å |
| 127 | E | 42.1 | Very low | 42.3 | Very low | 27 Ų | 27 | 75.4 Ų | 75.4 | 13% | 0.126 | 45% | 0.453 | C | S | . | . | G | 310 helix | trans | -80.4 | -10.7 | -161 | 0.8 | 174.6 | -179.8 | 0 | 0 | 111.5 | V39 F115 P125 V129 | V39-E127 WeakPolarHBondContact CA-OE2 3.4Å; V39-E127 WeakPolarHBondContact CB-OE2 2.93Å; V39-E127 WeakPolarHBondContact CG1-OE1 3.32Å; V39-E127 WeakPolarHBondContact CG1-OE2 3.45Å; V39-E127 WeakPolarHBondContact CG2-OE1 3.36Å; V39-E127 WeakPolarHBondContact CG2-OE2 3.23Å; F115-E127 HydrophobicContact CB-CB 3.8Å; F115-E127 HydrophobicContact CB-CG 3.98Å; F115-E127 HydrophobicContact CD2-CB 4.46Å; F115-E127 HydrophobicContact CG-CB 4.23Å; P125-E127 HydrophobicContact CB-CG 3.67Å; P125-E127 WeakPolarHBondContact CB-OE1 3.08Å; P125-E127 HydrophobicContact CG-CG 4.08Å; P125-E127 PolarHBondContact O-N 3.43Å; E127-V129 VanDerWaalsContact C-N 3.27Å; E127-V129 PolarHBondContact O-N 3.26Å |
| 128 | C | 36.1 | Very low | 42.5 | Very low | 47 Ų | 47 | 72.2 Ų | 72.2 | 32% | 0.318 | 44% | 0.435 | S | S | . | . | G | 310 helix | trans | -78.7 | -3.4 | 171.3 | -72.2 | 0 | 0 | 0 | 0 | 114.3 | P125 A126 | P125-C128 PolarHBondContact O-N 3Å; A126-C128 PolarHBondContact O-N 3.2Å |
| 129 | V | 47.1 | Very low | 42.9 | Very low | 61 Ų | 61 | 71.5 Ų | 71.5 | 37% | 0.37 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | -41.9 | -165.7 | -175 | 0 | 0 | 0 | 0 | 113.6 | T120 A126 E127 K132 C133 | T120-V129 HydrophobicContact CG2-CG2 4.29Å; A126-V129 PolarHBondContact O-N 3.5Å; E127-V129 VanDerWaalsContact C-N 3.27Å; E127-V129 PolarHBondContact O-N 3.26Å; V129-K132 PolarHBondContact O-N 2.94Å; V129-C133 WeakPolarHBondContact O-CB 3.4Å; V129-C133 PolarHBondContact O-N 3.47Å; V129-C133 PolarHBondContact O-SG 2.94Å; V129-C133 VanDerWaalsContact O-SG 3.41Å |
| 130 | F | 47 | Very low | 43.3 | Very low | 100 Ų | 100 | 66.8 Ų | 66.8 | 44% | 0.439 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -81.2 | -37 | -166.1 | -85.5 | -90.2 | 0 | 0 | 0 | 115.6 | F115 I118 K132 C133 G134 | F115-F130 HydrophobicContact CD1-CB 4.43Å; F115-F130 AromaticContact CD1-CD2 3.88Å; F115-F130 HydrophobicContact CD1-CD2 3.88Å; F115-F130 HydrophobicContact CD1-CG 4.4Å; F115-F130 HydrophobicContact CE1-CB 3.39Å; F115-F130 HydrophobicContact CE1-CD1 4.35Å; F115-F130 AromaticContact CE1-CD2 3.3Å; F115-F130 HydrophobicContact CE1-CD2 3.3Å; F115-F130 HydrophobicContact CE1-CE2 4.14Å; F115-F130 AromaticContact CE1-CG 3.41Å; F115-F130 HydrophobicContact CE1-CG 3.41Å; F115-F130 VanDerWaalsContact CE1-CG 3.41Å; F115-F130 HydrophobicContact CZ-CB 3.44Å; F115-F130 VanDerWaalsContact CZ-CB 3.44Å; F115-F130 HydrophobicContact CZ-CD2 4.26Å; F115-F130 AromaticContact CZ-CG 3.95Å; F115-F130 HydrophobicContact CZ-CG 3.95Å; I118-F130 HydrophobicContact CD1-CE2 4.15Å; F130-K132 PolarHBondContact O-N 3.05Å; F130-C133 PolarHBondContact O-N 3.14Å; F130-G134 PolarHBondContact O-N 3.14Å |
| 131 | C | 41.2 | Very low | 43.7 | Very low | 84 Ų | 84 | 71.9 Ų | 71.9 | 57% | 0.568 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -72.8 | -14.3 | 172.7 | -155.2 | 0 | 0 | 0 | 0 | 112.6 | ||
| 132 | K | 43.7 | Very low | 43.7 | Very low | 82 Ų | 82 | 72.5 Ų | 72.5 | 36% | 0.357 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -92.8 | -26.4 | -179.3 | -127.3 | -84.6 | -122.3 | 57.5 | 0 | 112.1 | C6 V129 F130 | C6-K132 HydrophobicContact CB-CD 4.25Å; C6-K132 HydrophobicContact CB-CG 4.34Å; C6-K132 VanDerWaalsContact CB-NZ 3.27Å; C6-K132 WeakPolarHBondContact O-CE 3.3Å; C6-K132 PolarHBondContact O-NZ 3.43Å; C6-K132 WeakPolarHBondContact SG-CE 3.34Å; V129-K132 PolarHBondContact O-N 2.94Å; F130-K132 PolarHBondContact O-N 3.05Å |
| 133 | C | 41.1 | Very low | 44.2 | Very low | 57 Ų | 57 | 72.7 Ų | 72.7 | 39% | 0.385 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -86.8 | -14.1 | 172.5 | -75.6 | 0 | 0 | 0 | 0 | 113.8 | V129 F130 L135 S136 A137 | V129-C133 WeakPolarHBondContact O-CB 3.4Å; V129-C133 PolarHBondContact O-N 3.47Å; V129-C133 PolarHBondContact O-SG 2.94Å; V129-C133 VanDerWaalsContact O-SG 3.41Å; F130-C133 PolarHBondContact O-N 3.14Å; C133-L135 PolarHBondContact O-N 2.01Å; C133-S136 CarbonylContact O-C 3.53Å; C133-S136 WeakPolarHBondContact O-CA 3.28Å; C133-S136 PolarHBondContact O-N 3.46Å; C133-A137 PolarHBondContact O-N 3.27Å |
| 134 | G | 42.6 | Very low | 44.2 | Very low | 34 Ų | 34 | 72.9 Ų | 72.9 | 35% | 0.351 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -58.6 | -37.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F130 A137 I138 | F130-G134 PolarHBondContact O-N 3.14Å; G134-A137 PolarHBondContact O-N 3.42Å; G134-I138 WeakPolarHBondContact O-CB 3.31Å; G134-I138 WeakPolarHBondContact O-CD1 2.84Å; G134-I138 VanDerWaalsContact O-CG1 3.23Å; G134-I138 WeakPolarHBondContact O-CG1 3.31Å; G134-I138 PolarHBondContact O-N 2.95Å |
| 135 | L | 45.5 | Very low | 44.2 | Very low | 121 Ų | 121 | 75.1 Ų | 75.1 | 63% | 0.634 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -76.4 | -23.4 | 173.5 | -123.7 | 82.4 | 0 | 0 | 0 | 113.2 | C133 V139 | C133-L135 PolarHBondContact O-N 2.01Å; L135-V139 WeakPolarHBondContact O-CB 3.29Å; L135-V139 WeakPolarHBondContact O-CG2 3.18Å; L135-V139 PolarHBondContact O-N 3Å |
| 136 | S | 45.4 | Very low | 44.3 | Very low | 50 Ų | 50 | 77 Ų | 77 | 35% | 0.35 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -74.9 | -40.5 | 169.4 | 121.9 | 0 | 0 | 0 | 0 | 110.1 | C133 I138 V139 D140 | C133-S136 CarbonylContact O-C 3.53Å; C133-S136 WeakPolarHBondContact O-CA 3.28Å; C133-S136 PolarHBondContact O-N 3.46Å; S136-I138 PolarHBondContact O-N 3.1Å; S136-V139 CarbonylContact O-C 3.51Å; S136-V139 PolarHBondContact O-N 3.44Å; S136-D140 WeakPolarHBondContact O-CA 3.12Å; S136-D140 WeakPolarHBondContact O-CB 3.34Å; S136-D140 PolarHBondContact O-N 3.2Å; S136-D140 PolarHBondContact OG-OD2 3.33Å |
| 137 | A | 44.8 | Very low | 44.3 | Very low | 47 Ų | 47 | 80.4 Ų | 80.4 | 39% | 0.388 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.5 | -35.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | C133 G134 L141 | C133-A137 PolarHBondContact O-N 3.27Å; G134-A137 PolarHBondContact O-N 3.42Å; A137-L141 WeakPolarHBondContact O-CB 3.2Å; A137-L141 WeakPolarHBondContact O-CD1 3.08Å; A137-L141 PolarHBondContact O-N 3.35Å |
| 138 | I | 48.1 | Very low | 44.3 | Very low | 83 Ų | 83 | 85.2 Ų | 85.2 | 43% | 0.426 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -75.5 | -40.8 | 175.3 | -68.6 | 167.9 | 0 | 0 | 0 | 111.9 | G134 S136 D140 L141 M142 | G134-I138 WeakPolarHBondContact O-CB 3.31Å; G134-I138 WeakPolarHBondContact O-CD1 2.84Å; G134-I138 VanDerWaalsContact O-CG1 3.23Å; G134-I138 WeakPolarHBondContact O-CG1 3.31Å; G134-I138 PolarHBondContact O-N 2.95Å; S136-I138 PolarHBondContact O-N 3.1Å; I138-D140 VanDerWaalsContact C-N 3.34Å; I138-L141 PolarHBondContact O-N 2.96Å; I138-M142 HydrophobicContact CG2-CE 3.34Å; I138-M142 HydrophobicContact CG2-SD 3.72Å; I138-M142 WeakPolarHBondContact O-CB 3.48Å; I138-M142 WeakPolarHBondContact O-CG 2.9Å; I138-M142 PolarHBondContact O-N 3.45Å |
| 139 | V | 49.8 | Very low | 44.6 | Very low | 71 Ų | 71 | 86.2 Ų | 86.2 | 43% | 0.43 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -72.4 | -27.1 | 174.6 | 170.6 | 0 | 0 | 0 | 0 | 111.5 | L135 S136 M142 S143 | L135-V139 WeakPolarHBondContact O-CB 3.29Å; L135-V139 WeakPolarHBondContact O-CG2 3.18Å; L135-V139 PolarHBondContact O-N 3Å; S136-V139 CarbonylContact O-C 3.51Å; S136-V139 PolarHBondContact O-N 3.44Å; V139-M142 CarbonylContact O-C 3.51Å; V139-M142 PolarHBondContact O-N 3.16Å; V139-S143 WeakPolarHBondContact O-CA 2.97Å; V139-S143 WeakPolarHBondContact O-CB 3.08Å; V139-S143 PolarHBondContact O-N 3.08Å; V139-S143 PolarHBondContact O-OG 2.88Å |
| 140 | D | 47.3 | Very low | 44.3 | Very low | 87 Ų | 87 | 87.1 Ų | 87.1 | 47% | 0.465 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -81.7 | -35.7 | 174.4 | -65.2 | -35.7 | 0 | 0 | 0 | 109.7 | S136 I138 M142 T144 | S136-D140 WeakPolarHBondContact O-CA 3.12Å; S136-D140 WeakPolarHBondContact O-CB 3.34Å; S136-D140 PolarHBondContact O-N 3.2Å; S136-D140 PolarHBondContact OG-OD2 3.33Å; I138-D140 VanDerWaalsContact C-N 3.34Å; D140-M142 VanDerWaalsContact C-N 3.26Å; D140-M142 PolarHBondContact O-N 3.33Å; D140-T144 VanDerWaalsContact O-CB 3.23Å; D140-T144 WeakPolarHBondContact O-CB 3.03Å; D140-T144 WeakPolarHBondContact O-CG2 3.48Å; D140-T144 PolarHBondContact O-N 3.07Å; D140-T144 PolarHBondContact O-OG1 3.48Å |
| 141 | L | 45.7 | Very low | 44.1 | Very low | 137 Ų | 137 | 89 Ų | 89 | 72% | 0.717 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.7 | -26.8 | 166.1 | -101.7 | 98.6 | 0 | 0 | 0 | 112.5 | A137 I138 | A137-L141 WeakPolarHBondContact O-CB 3.2Å; A137-L141 WeakPolarHBondContact O-CD1 3.08Å; A137-L141 PolarHBondContact O-N 3.35Å; I138-L141 PolarHBondContact O-N 2.96Å |
| 142 | M | 42.5 | Very low | 44.1 | Very low | 151 Ų | 151 | 93.1 Ų | 93.1 | 74% | 0.744 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -96.1 | -16.5 | 178.6 | -68.6 | 172.6 | -173.2 | 0 | 0 | 113.7 | I138 V139 D140 | I138-M142 HydrophobicContact CG2-CE 3.34Å; I138-M142 HydrophobicContact CG2-SD 3.72Å; I138-M142 WeakPolarHBondContact O-CB 3.48Å; I138-M142 WeakPolarHBondContact O-CG 2.9Å; I138-M142 PolarHBondContact O-N 3.45Å; V139-M142 CarbonylContact O-C 3.51Å; V139-M142 PolarHBondContact O-N 3.16Å; D140-M142 VanDerWaalsContact C-N 3.26Å; D140-M142 PolarHBondContact O-N 3.33Å |
| 143 | S | 50.1 | Low | 43.9 | Very low | 83 Ų | 83 | 95 Ų | 95 | 58% | 0.58 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -109.1 | -6.9 | 178.6 | -52.8 | 0 | 0 | 0 | 0 | 113 | V139 D145 | V139-S143 WeakPolarHBondContact O-CA 2.97Å; V139-S143 WeakPolarHBondContact O-CB 3.08Å; V139-S143 PolarHBondContact O-N 3.08Å; V139-S143 PolarHBondContact O-OG 2.88Å; S143-D145 PolarHBondContact O-N 3.23Å |
| 144 | T | 42.7 | Very low | 43.7 | Very low | 71 Ų | 71 | 100.2 Ų | 100.2 | 44% | 0.436 | 59% | 0.587 | S | S | . | * | trans | -77.8 | 103.8 | 163.8 | 48.5 | 0 | 0 | 0 | 0 | 108.6 | D140 T146 | D140-T144 VanDerWaalsContact O-CB 3.23Å; D140-T144 WeakPolarHBondContact O-CB 3.03Å; D140-T144 WeakPolarHBondContact O-CG2 3.48Å; D140-T144 PolarHBondContact O-N 3.07Å; D140-T144 PolarHBondContact O-OG1 3.48Å; T144-T146 VanDerWaalsContact CB-OG1 3.27Å; T144-T146 WeakPolarHBondContact CB-OG1 3.42Å; T144-T146 PolarHBondContact O-N 2.66Å; T144-T146 PolarHBondContact OG1-OG1 3.18Å | ||
| 145 | D | 44.5 | Very low | 43.5 | Very low | 130 Ų | 130 | 108.8 Ų | 108.8 | 70% | 0.695 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.4 | 17.3 | 162 | -105.4 | -38.7 | 0 | 0 | 0 | 113.9 | S143 S149 | S143-D145 PolarHBondContact O-N 3.23Å; D145-S149 PolarHBondContact O-N 2.96Å; D145-S149 PolarHBondContact O-OG 3.33Å |
| 146 | T | 43.8 | Very low | 43.4 | Very low | 94 Ų | 94 | 108.2 Ų | 108.2 | 58% | 0.577 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -13.7 | -178.9 | 53 | 0 | 0 | 0 | 0 | 113.9 | T144 S149 | T144-T146 VanDerWaalsContact CB-OG1 3.27Å; T144-T146 WeakPolarHBondContact CB-OG1 3.42Å; T144-T146 PolarHBondContact O-N 2.66Å; T144-T146 PolarHBondContact OG1-OG1 3.18Å; T146-S149 WeakPolarHBondContact CA-OG 3.39Å |
| 147 | A | 39.5 | Very low | 43.3 | Very low | 71 Ų | 71 | 111.3 Ų | 111.3 | 59% | 0.587 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -20.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 148 | L | 41.9 | Very low | 43.2 | Very low | 129 Ų | 129 | 114.8 Ų | 114.8 | 68% | 0.675 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | -25.5 | 178.9 | -147.1 | 70.3 | 0 | 0 | 0 | 112.9 | ||
| 149 | S | 42 | Very low | 42.9 | Very low | 68 Ų | 68 | 116.7 Ų | 116.7 | 48% | 0.476 | 68% | 0.675 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.8 | -11.1 | 176.7 | 48.6 | 0 | 0 | 0 | 0 | 114.7 | D145 T146 | D145-S149 PolarHBondContact O-N 2.96Å; D145-S149 PolarHBondContact O-OG 3.33Å; T146-S149 WeakPolarHBondContact CA-OG 3.39Å |
| 150 | A | 40.4 | Very low | 42.5 | Very low | 80 Ų | 80 | 119.6 Ų | 119.6 | 66% | 0.661 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -3.1 | 174 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 151 | I | 44.1 | Very low | 42.1 | Very low | 138 Ų | 138 | 121.7 Ų | 121.7 | 71% | 0.708 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -102.5 | -6.7 | 178.7 | -64.6 | 175 | 0 | 0 | 0 | 111.7 | ||
| 152 | E | 41.6 | Very low | 41.9 | Very low | 171 Ų | 171 | 120.6 Ų | 120.6 | 80% | 0.799 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -96 | 16 | 177.7 | -68.1 | -168 | 149.1 | 0 | 0 | 115 | ||
| 153 | V | 39.7 | Very low | 41.8 | Very low | 122 Ų | 122 | 118.3 Ų | 118.3 | 74% | 0.739 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -129.2 | 66.3 | 173.6 | -168 | 0 | 0 | 0 | 0 | 110.1 | ||
| 154 | N | 35.1 | Very low | 41.1 | Very low | 166 Ų | 166 | 121.3 Ų | 121.3 | 89% | 0.888 | 71% | 0.712 | S | S | * | * | trans | -168.4 | 32.9 | 155.5 | -113.4 | 10.6 | 0 | 0 | 0 | 113.7 | ||||
| 155 | V | 38.5 | Very low | 41 | Very low | 215 Ų | 215 | 125.8 Ų | 125.8 | 100% | 1.303 | 74% | 0.737 | S | S | * | * | trans | -116.8 | 0 | 160.8 | -179.9 | 0 | 0 | 0 | 0 | 108.5 |
Retrieved 155 of 155 residues in 188.1 ms
(Link to these results)