| 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 | 31.1 | Very low | 32 | Very low | 248 Ų | 248 | 182.6 Ų | 182.6 | 100% | 1.222 | 87% | 0.87 | S | S | * | * | 0 | 46.9 | 0 | -87 | -148.7 | -139 | 0 | 0 | 112.5 | |||||
| 2 | L | 31.1 | Very low | 31.8 | Very low | 164 Ų | 164 | 183.9 Ų | 183.9 | 86% | 0.859 | 88% | 0.875 | S | S | * | * | trans | -135.1 | 87 | 146 | -94.3 | 165.9 | 0 | 0 | 0 | 104.4 | ||||
| 3 | E | 31.1 | Very low | 31.9 | Very low | 195 Ų | 195 | 179.2 Ų | 179.2 | 91% | 0.911 | 87% | 0.873 | S | S | * | * | trans | -129.5 | 115.8 | 152.6 | -89.6 | -171.8 | 169.2 | 0 | 0 | 106.4 | ||||
| 4 | T | 34.5 | Very low | 32.2 | Very low | 115 Ų | 115 | 171.3 Ų | 171.3 | 71% | 0.706 | 86% | 0.862 | S | S | * | * | trans | -75.5 | 130.9 | -170.8 | 37.1 | 0 | 0 | 0 | 0 | 111.5 | V6 | T4-V6 PolarHBondContact O-N 3.16Š| ||
| 5 | K | 34.1 | Very low | 32.5 | Very low | 213 Ų | 213 | 169.5 Ų | 169.5 | 93% | 0.926 | 86% | 0.856 | S | S | * | * | trans | -79.4 | 109.8 | 155 | -81.3 | -175.4 | 175.1 | -178 | 0 | 108.2 | ||||
| 6 | V | 33.5 | Very low | 33 | Very low | 116 Ų | 116 | 168.8 Ų | 168.8 | 70% | 0.703 | 85% | 0.846 | S | S | * | * | trans | -91.2 | 116.8 | 166.7 | 174.5 | 0 | 0 | 0 | 0 | 107.6 | T4 | T4-V6 PolarHBondContact O-N 3.16Š| ||
| 7 | E | 32.1 | Very low | 33.9 | Very low | 191 Ų | 191 | 164.4 Ų | 164.4 | 89% | 0.893 | 83% | 0.832 | S | S | * | * | trans | -109 | 118.1 | 158.8 | -81.3 | -174.9 | 174.4 | 0 | 0 | 108.5 | ||||
| 8 | R | 26.9 | Very low | 35 | Very low | 211 Ų | 211 | 161.3 Ų | 161.3 | 80% | 0.796 | 82% | 0.823 | S | S | * | * | trans | -67.6 | 140.1 | 176.8 | -71.7 | 176.5 | 173.3 | 162.9 | -4 | 111.1 | ||||
| 9 | K | 33.3 | Very low | 36.2 | Very low | 205 Ų | 205 | 160.5 Ų | 160.5 | 89% | 0.891 | 82% | 0.82 | S | S | * | * | trans | -133.1 | 97.2 | 150.1 | -83.6 | -174 | 176.5 | 174.3 | 0 | 108.2 | ||||
| 10 | D | 29 | Very low | 37.5 | Very low | 143 Ų | 143 | 158.9 Ų | 158.9 | 77% | 0.765 | 81% | 0.813 | S | S | * | * | trans | -70.7 | 130 | 167.6 | -64.3 | -43.1 | 0 | 0 | 0 | 109.1 | ||||
| 11 | K | 35.1 | Very low | 39 | Very low | 208 Ų | 208 | 154.7 Ų | 154.7 | 90% | 0.904 | 79% | 0.788 | S | S | * | * | trans | -134.3 | 124.9 | 158.1 | -84.7 | -167.9 | 175.4 | -174.7 | 0 | 108.3 | ||||
| 12 | E | 29.9 | Very low | 41.1 | Very low | 198 Ų | 198 | 146 Ų | 146 | 93% | 0.925 | 76% | 0.755 | S | S | * | * | trans | -64.5 | 136.7 | -175.2 | -58.4 | 164.2 | 151.2 | 0 | 0 | 112.9 | ||||
| 13 | S | 32.5 | Very low | 43.4 | Very low | 122 Ų | 122 | 141.4 Ų | 141.4 | 85% | 0.853 | 74% | 0.741 | S | S | * | * | trans | -157.3 | 127.7 | 151.3 | 58.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 14 | G | 36.4 | Very low | 45.7 | Very low | 69 Ų | 69 | 134.2 Ų | 134.2 | 71% | 0.711 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 164.1 | -159 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||
| 15 | D | 37.7 | Very low | 48.2 | Very low | 145 Ų | 145 | 130.3 Ų | 130.3 | 78% | 0.775 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 128.3 | 177.3 | -97.2 | -42.4 | 0 | 0 | 0 | 113 | R21 | D15-R21 IonicContact OD1-CZ 3.46Å; D15-R21 IonicContact OD1-NH1 3.74Å; D15-R21 PolarHBondContact OD1-NH1 3.23Å; D15-R21 IonicContact OD1-NH2 2.71Å; D15-R21 PolarHBondContact OD1-NH2 3.37Å |
| 16 | F | 39.7 | Very low | 50.7 | Low | 157 Ų | 157 | 124.9 Ų | 124.9 | 69% | 0.689 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 149.1 | 165.1 | -79.1 | -92 | 0 | 0 | 0 | 110.3 | R21 | F16-R21 PolarHBondContact O-NE 3.41Å; F16-R21 PolarHBondContact O-NH1 3.45Å; F16-R21 PolarHBondContact O-NH2 2.95Å |
| 17 | P | 48.7 | Very low | 53.2 | Low | 94 Ų | 94 | 125.4 Ų | 125.4 | 61% | 0.61 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 144.4 | 177.9 | 22.9 | -30.9 | 0 | 0 | 0 | 113.1 | D19 | P17-D19 PolarHBondContact O-N 3.49Š|
| 18 | V | 53 | Low | 56 | Low | 110 Ų | 110 | 117.7 Ų | 117.7 | 67% | 0.667 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -72.5 | -28.7 | -160.9 | 179.7 | 0 | 0 | 0 | 0 | 115.1 | R21 | V18-R21 WeakPolarHBondContact O-CB 3.47Å; V18-R21 PolarHBondContact O-N 3.36Å |
| 19 | D | 57.7 | Low | 58.9 | Low | 146 Ų | 146 | 108.9 Ų | 108.9 | 78% | 0.781 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -74.1 | -36.1 | -173.6 | -80.6 | -25.8 | 0 | 0 | 0 | 113.9 | P17 R21 | P17-D19 PolarHBondContact O-N 3.49Å; D19-R21 PolarHBondContact O-N 2.93Å |
| 20 | D | 63.2 | Low | 61.6 | Low | 127 Ų | 127 | 103.2 Ų | 103.2 | 68% | 0.679 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -71.1 | -22.9 | 175.2 | -77.6 | -28.3 | 0 | 0 | 0 | 112 | A22 A24 | D20-A22 PolarHBondContact O-N 3.29Å; D20-A24 WeakPolarHBondContact O-CB 3.21Å; D20-A24 PolarHBondContact O-N 3.48Å |
| 21 | R | 68.8 | Low | 64.6 | Low | 72 Ų | 72 | 97.2 Ų | 97.2 | 27% | 0.272 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66 | -37.4 | 179.6 | -69.1 | -177.4 | 168.5 | 165.2 | -5.6 | 112.2 | D15 F16 V18 D19 F25 L54 | D15-R21 IonicContact OD1-CZ 3.46Å; D15-R21 IonicContact OD1-NH1 3.74Å; D15-R21 PolarHBondContact OD1-NH1 3.23Å; D15-R21 IonicContact OD1-NH2 2.71Å; D15-R21 PolarHBondContact OD1-NH2 3.37Å; F16-R21 PolarHBondContact O-NE 3.41Å; F16-R21 PolarHBondContact O-NH1 3.45Å; F16-R21 PolarHBondContact O-NH2 2.95Å; V18-R21 WeakPolarHBondContact O-CB 3.47Å; V18-R21 PolarHBondContact O-N 3.36Å; D19-R21 PolarHBondContact O-N 2.93Å; R21-F25 WeakPolarHBondContact O-CB 3.33Å; R21-F25 PolarHBondContact O-N 3.34Å; R21-L54 HydrophobicContact CB-CD2 4.41Å; R21-L54 HydrophobicContact CG-CD2 4.11Å |
| 22 | A | 74.8 | Confident | 67.1 | Low | 66 Ų | 66 | 87.3 Ų | 87.3 | 55% | 0.545 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -72.1 | -42.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D20 F25 Q26 | D20-A22 PolarHBondContact O-N 3.29Å; A22-F25 PolarHBondContact O-N 3.08Å; A22-Q26 PolarHBondContact O-N 3.2Å |
| 23 | A | 79.7 | Confident | 69.8 | Low | 67 Ų | 67 | 80.1 Ų | 80.1 | 55% | 0.554 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -67.8 | -42.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | F25 Q26 H27 | A23-F25 VanDerWaalsContact C-N 3.34Å; A23-Q26 PolarHBondContact O-N 3.18Å; A23-H27 WeakPolarHBondContact O-CB 3.49Å; A23-H27 PolarHBondContact O-N 3.47Å |
| 24 | A | 80 | Confident | 72.6 | Confident | 43 Ų | 43 | 79.7 Ų | 79.7 | 36% | 0.355 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.5 | -44.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | D20 H27 L28 L54 | D20-A24 WeakPolarHBondContact O-CB 3.21Å; D20-A24 PolarHBondContact O-N 3.48Å; A24-H27 PolarHBondContact O-N 3.25Å; A24-L28 WeakPolarHBondContact O-CB 3.48Å; A24-L28 WeakPolarHBondContact O-CG 3.25Å; A24-L28 PolarHBondContact O-N 3.27Å; A24-L54 HydrophobicContact CB-CD1 3.99Å |
| 25 | F | 86.9 | Confident | 75.2 | Confident | 34 Ų | 34 | 76.7 Ų | 76.7 | 15% | 0.149 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -58.1 | -50.9 | 176.7 | 177.8 | -93.7 | 0 | 0 | 0 | 111.9 | R21 A22 A23 H27 L28 V29 A51 L54 D55 N58 L61 | R21-F25 WeakPolarHBondContact O-CB 3.33Å; R21-F25 PolarHBondContact O-N 3.34Å; A22-F25 PolarHBondContact O-N 3.08Å; A23-F25 VanDerWaalsContact C-N 3.34Å; F25-H27 PolarHBondContact O-N 3.11Å; F25-L28 PolarHBondContact O-N 3.42Å; F25-V29 HydrophobicContact CD1-CG2 4.26Å; F25-V29 HydrophobicContact CE1-CG2 3.87Å; F25-V29 HydrophobicContact CE2-CG2 4.3Å; F25-V29 HydrophobicContact CZ-CG2 3.89Å; F25-V29 WeakPolarHBondContact O-CG2 3.33Å; F25-V29 PolarHBondContact O-N 3.18Å; F25-A51 HydrophobicContact CD2-CB 4.18Å; F25-A51 WeakPolarHBondContact CD2-O 3.46Å; F25-A51 HydrophobicContact CE2-CB 4.14Å; F25-A51 WeakPolarHBondContact CE2-O 3.28Å; F25-L54 HydrophobicContact CB-CB 4.5Å; F25-L54 HydrophobicContact CB-CD1 4.02Å; F25-L54 HydrophobicContact CD2-CB 4.1Å; F25-D55 HydrophobicContact CD2-CB 4.04Å; F25-D55 HydrophobicContact CE2-CB 3.59Å; F25-D55 HydrophobicContact CZ-CB 4.21Å; F25-N58 WeakPolarHBondContact CZ-ND2 3.41Å; F25-L61 HydrophobicContact CD2-CD1 4.45Å; F25-L61 HydrophobicContact CE2-CD1 3.29Å; F25-L61 HydrophobicContact CE2-CG 4.38Å; F25-L61 HydrophobicContact CZ-CD1 3.42Å; F25-L61 VanDerWaalsContact CZ-CD1 3.42Å; F25-L61 HydrophobicContact CZ-CG 4.06Å |
| 26 | Q | 84.8 | Confident | 77.5 | Confident | 99 Ų | 99 | 71.5 Ų | 71.5 | 46% | 0.463 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.3 | -43.6 | 180 | -173 | 59.2 | 42.1 | 0 | 0 | 111.7 | A22 A23 L28 V29 D30 | A22-Q26 PolarHBondContact O-N 3.2Å; A23-Q26 PolarHBondContact O-N 3.18Å; Q26-L28 VanDerWaalsContact C-N 3.35Å; Q26-L28 PolarHBondContact O-N 2.78Å; Q26-V29 PolarHBondContact O-N 3.28Å; Q26-D30 PolarHBondContact NE2-OD1 2.98Å; Q26-D30 PolarHBondContact NE2-OD2 3.37Å; Q26-D30 VanDerWaalsContact O-CG 3.28Å; Q26-D30 PolarHBondContact O-N 3.47Å |
| 27 | H | 88 | Confident | 79.8 | Confident | 126 Ų | 126 | 68.2 Ų | 68.2 | 58% | 0.583 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -61.1 | -41.3 | 176.3 | -175.8 | -77.8 | 0 | 0 | 0 | 112.4 | A23 A24 F25 D30 S31 | A23-H27 WeakPolarHBondContact O-CB 3.49Å; A23-H27 PolarHBondContact O-N 3.47Å; A24-H27 PolarHBondContact O-N 3.25Å; F25-H27 PolarHBondContact O-N 3.11Å; H27-D30 PolarHBondContact O-N 3.23Å; H27-S31 PolarHBondContact CE1-OG 3.4Å; H27-S31 PolarHBondContact ND1-OG 3.26Å; H27-S31 VanDerWaalsContact O-CB 3.29Å; H27-S31 WeakPolarHBondContact O-CB 3.31Å; H27-S31 PolarHBondContact O-N 3.48Å; H27-S31 PolarHBondContact O-OG 2.75Å |
| 28 | L | 90.1 | Very high | 81.8 | Confident | 30 Ų | 30 | 70.2 Ų | 70.2 | 16% | 0.157 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 176 | -71.5 | 170.1 | 0 | 0 | 0 | 111.6 | A24 F25 Q26 S31 A32 F47 T50 A51 L54 | A24-L28 WeakPolarHBondContact O-CB 3.48Å; A24-L28 WeakPolarHBondContact O-CG 3.25Å; A24-L28 PolarHBondContact O-N 3.27Å; F25-L28 PolarHBondContact O-N 3.42Å; Q26-L28 VanDerWaalsContact C-N 3.35Å; Q26-L28 PolarHBondContact O-N 2.78Å; L28-S31 PolarHBondContact O-N 3.07Å; L28-A32 VanDerWaalsContact O-CB 3.3Å; L28-A32 WeakPolarHBondContact O-CB 3.22Å; L28-A32 PolarHBondContact O-N 2.72Å; L28-F47 HydrophobicContact CD2-CD1 3.82Å; L28-T50 WeakPolarHBondContact CD2-OG1 3.48Å; L28-A51 HydrophobicContact CB-CB 3.95Å; L28-A51 HydrophobicContact CD1-CB 4.49Å; L28-L54 HydrophobicContact CD1-CD1 3.67Å |
| 29 | V | 88.4 | Confident | 83.4 | Confident | 25 Ų | 25 | 66.5 Ų | 66.5 | 15% | 0.152 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64 | -42.5 | 175.9 | 173.9 | 0 | 0 | 0 | 0 | 111.6 | F25 Q26 A32 A33 A51 L61 | F25-V29 HydrophobicContact CD1-CG2 4.26Å; F25-V29 HydrophobicContact CE1-CG2 3.87Å; F25-V29 HydrophobicContact CE2-CG2 4.3Å; F25-V29 HydrophobicContact CZ-CG2 3.89Å; F25-V29 WeakPolarHBondContact O-CG2 3.33Å; F25-V29 PolarHBondContact O-N 3.18Å; Q26-V29 PolarHBondContact O-N 3.28Å; V29-A32 PolarHBondContact O-N 3.18Å; V29-A33 WeakPolarHBondContact O-CB 3.27Å; V29-A33 PolarHBondContact O-N 2.82Å; V29-A51 HydrophobicContact CG2-CB 4.15Å; V29-L61 HydrophobicContact CG1-CD2 4.29Å; V29-L61 HydrophobicContact CG2-CD1 4.09Å; V29-L61 HydrophobicContact CG2-CD2 3.66Å; V29-L61 HydrophobicContact CG2-CG 4.48Å |
| 30 | D | 89.7 | Confident | 85.1 | Confident | 86 Ų | 86 | 63.4 Ų | 63.4 | 46% | 0.46 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -67.2 | -40.5 | 177.1 | -67.3 | -24.6 | 0 | 0 | 0 | 111.3 | Q26 H27 A33 E34 | Q26-D30 PolarHBondContact NE2-OD1 2.98Å; Q26-D30 PolarHBondContact NE2-OD2 3.37Å; Q26-D30 VanDerWaalsContact O-CG 3.28Å; Q26-D30 PolarHBondContact O-N 3.47Å; H27-D30 PolarHBondContact O-N 3.23Å; D30-A33 PolarHBondContact O-N 2.93Å; D30-E34 PolarHBondContact O-N 2.91Å |
| 31 | S | 90.9 | Very high | 86.4 | Confident | 18 Ų | 18 | 60.9 Ų | 60.9 | 13% | 0.126 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64 | -41.7 | 174.5 | -58.1 | 0 | 0 | 0 | 0 | 111.7 | H27 L28 A33 E34 A35 | H27-S31 PolarHBondContact CE1-OG 3.4Å; H27-S31 PolarHBondContact ND1-OG 3.26Å; H27-S31 VanDerWaalsContact O-CB 3.29Å; H27-S31 WeakPolarHBondContact O-CB 3.31Å; H27-S31 PolarHBondContact O-N 3.48Å; H27-S31 PolarHBondContact O-OG 2.75Å; L28-S31 PolarHBondContact O-N 3.07Å; S31-A33 VanDerWaalsContact C-N 3.33Å; S31-A33 PolarHBondContact O-N 2.86Å; S31-E34 PolarHBondContact O-N 2.82Å; S31-A35 WeakPolarHBondContact O-CB 3.33Å; S31-A35 PolarHBondContact O-N 2.88Å |
| 32 | A | 89 | Confident | 87.4 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.5 | -40.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L28 V29 C36 A44 F47 Y48 | L28-A32 VanDerWaalsContact O-CB 3.3Å; L28-A32 WeakPolarHBondContact O-CB 3.22Å; L28-A32 PolarHBondContact O-N 2.72Å; V29-A32 PolarHBondContact O-N 3.18Å; A32-C36 WeakPolarHBondContact O-CB 3.47Å; A32-C36 PolarHBondContact O-N 3.41Å; A32-C36 PolarHBondContact O-SG 2.92Å; A32-A44 WeakPolarHBondContact O-CB 3.31Å; A32-F47 HydrophobicContact CB-CB 3.58Å; A32-Y48 HydrophobicContact CB-CD1 3.67Å; A32-Y48 HydrophobicContact CB-CD2 3.95Å; A32-Y48 HydrophobicContact CB-CE1 3.56Å; A32-Y48 HydrophobicContact CB-CE2 3.87Å; A32-Y48 HydrophobicContact CB-CG 3.84Å |
| 33 | A | 86.6 | Confident | 88.2 | Confident | 47 Ų | 47 | 62.4 Ų | 62.4 | 39% | 0.388 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -67.3 | -40.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | V29 D30 S31 C36 A37 | V29-A33 WeakPolarHBondContact O-CB 3.27Å; V29-A33 PolarHBondContact O-N 2.82Å; D30-A33 PolarHBondContact O-N 2.93Å; S31-A33 VanDerWaalsContact C-N 3.33Å; S31-A33 PolarHBondContact O-N 2.86Å; A33-C36 WeakPolarHBondContact O-CB 3.33Å; A33-C36 PolarHBondContact O-N 2.81Å; A33-A37 WeakPolarHBondContact O-CB 3.39Å; A33-A37 PolarHBondContact O-N 2.88Å |
| 34 | E | 90.7 | Very high | 88.8 | Confident | 113 Ų | 113 | 59.2 Ų | 59.2 | 53% | 0.528 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.8 | -43.9 | 175.4 | -164.5 | -174.2 | 159.4 | 0 | 0 | 111.7 | D30 S31 C36 A37 K38 | D30-E34 PolarHBondContact O-N 2.91Å; S31-E34 PolarHBondContact O-N 2.82Å; E34-C36 VanDerWaalsContact C-N 3.33Å; E34-C36 PolarHBondContact O-N 3.33Å; E34-A37 WeakPolarHBondContact O-CB 3.43Å; E34-A37 PolarHBondContact O-N 3.14Å; E34-A37 VanDerWaalsContact O-N 3.12Å; E34-K38 PolarHBondContact O-N 3.43Å; E34-K38 VanDerWaalsContact OE1-CE 3.24Å; E34-K38 WeakPolarHBondContact OE1-CE 3.42Å; E34-K38 IonicContact OE1-NZ 3.04Å; E34-K38 PolarHBondContact OE1-NZ 2.87Å |
| 35 | A | 90.5 | Very high | 89.3 | Confident | 5 Ų | 5 | 57.6 Ų | 57.6 | 4% | 0.041 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.3 | -39.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S31 A37 K38 G39 N40 E43 A44 F47 | S31-A35 WeakPolarHBondContact O-CB 3.33Å; S31-A35 PolarHBondContact O-N 2.88Å; A35-A37 PolarHBondContact O-N 3.44Å; A35-K38 PolarHBondContact O-N 3.25Å; A35-G39 PolarHBondContact O-N 3.31Å; A35-N40 HydrophobicContact CB-CB 4.49Å; A35-N40 PolarHBondContact O-N 3.14Å; A35-E43 HydrophobicContact CB-CB 4.37Å; A35-E43 HydrophobicContact CB-CG 4.34Å; A35-A44 HydrophobicContact CB-CB 3.71Å; A35-F47 HydrophobicContact CB-CD2 4.22Å; A35-F47 HydrophobicContact CB-CE2 4.36Å |
| 36 | C | 86.7 | Confident | 89.5 | Confident | 36 Ų | 36 | 61.9 Ų | 61.9 | 24% | 0.243 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.2 | -43.5 | 170.5 | -79.2 | 0 | 0 | 0 | 0 | 112.4 | A32 A33 E34 K38 G39 A44 I68 | A32-C36 WeakPolarHBondContact O-CB 3.47Å; A32-C36 PolarHBondContact O-N 3.41Å; A32-C36 PolarHBondContact O-SG 2.92Å; A33-C36 WeakPolarHBondContact O-CB 3.33Å; A33-C36 PolarHBondContact O-N 2.81Å; E34-C36 VanDerWaalsContact C-N 3.33Å; E34-C36 PolarHBondContact O-N 3.33Å; C36-K38 VanDerWaalsContact C-N 3.31Å; C36-K38 PolarHBondContact O-N 3.37Å; C36-G39 PolarHBondContact O-N 2.94Å; C36-G39 VanDerWaalsContact O-N 3.16Å; C36-A44 VanDerWaalsContact SG-CB 3.57Å; C36-I68 WeakPolarHBondContact SG-CD1 3.42Å |
| 37 | A | 87.7 | Confident | 89.9 | Confident | 89 Ų | 89 | 59.9 Ų | 59.9 | 74% | 0.736 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -66.9 | -31.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A33 E34 A35 G39 | A33-A37 WeakPolarHBondContact O-CB 3.39Å; A33-A37 PolarHBondContact O-N 2.88Å; E34-A37 WeakPolarHBondContact O-CB 3.43Å; E34-A37 PolarHBondContact O-N 3.14Å; E34-A37 VanDerWaalsContact O-N 3.12Å; A35-A37 PolarHBondContact O-N 3.44Å; A37-G39 VanDerWaalsContact C-N 3.28Å |
| 38 | K | 90.8 | Very high | 90.1 | Very high | 135 Ų | 135 | 54.5 Ų | 54.5 | 59% | 0.587 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -77.3 | -9.3 | 173.7 | -69.4 | 174.1 | -173.9 | 164.1 | 0 | 113.8 | E34 A35 C36 N40 | E34-K38 PolarHBondContact O-N 3.43Å; E34-K38 VanDerWaalsContact OE1-CE 3.24Å; E34-K38 WeakPolarHBondContact OE1-CE 3.42Å; E34-K38 IonicContact OE1-NZ 3.04Å; E34-K38 PolarHBondContact OE1-NZ 2.87Å; A35-K38 PolarHBondContact O-N 3.25Å; C36-K38 VanDerWaalsContact C-N 3.31Å; C36-K38 PolarHBondContact O-N 3.37Å; K38-N40 VanDerWaalsContact C-N 3.3Å |
| 39 | G | 87.4 | Confident | 90.1 | Very high | 33 Ų | 33 | 55.7 Ų | 55.7 | 34% | 0.34 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | 6.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | A35 C36 A37 Y41 | A35-G39 PolarHBondContact O-N 3.31Å; C36-G39 PolarHBondContact O-N 2.94Å; C36-G39 VanDerWaalsContact O-N 3.16Å; A37-G39 VanDerWaalsContact C-N 3.28Å; G39-Y41 VanDerWaalsContact C-N 3.3Å; G39-Y41 WeakPolarHBondContact O-CD2 3.43Å; G39-Y41 PolarHBondContact O-N 3.09Å |
| 40 | N | 91.7 | Very high | 90.3 | Very high | 80 Ų | 80 | 56.9 Ų | 56.9 | 43% | 0.428 | 32% | 0.315 | S | S | . | . | trans | -82.3 | 72.5 | 176.5 | -74.2 | 0.3 | 0 | 0 | 0 | 110.5 | A35 K38 V42 E43 A44 | A35-N40 HydrophobicContact CB-CB 4.49Å; A35-N40 PolarHBondContact O-N 3.14Å; K38-N40 VanDerWaalsContact C-N 3.3Å; N40-V42 VanDerWaalsContact C-N 3.34Å; N40-V42 PolarHBondContact O-N 2.86Å; N40-E43 HydrophobicContact CB-CB 4.18Å; N40-E43 PolarHBondContact ND2-OE2 2.96Å; N40-E43 PolarHBondContact O-N 3.24Å; N40-A44 WeakPolarHBondContact O-CB 3.31Å; N40-A44 PolarHBondContact O-N 3.33Å; N40-A44 VanDerWaalsContact O-N 3.07Å | ||
| 41 | Y | 91.3 | Very high | 90.3 | Very high | 74 Ų | 74 | 52.8 Ų | 52.8 | 29% | 0.29 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65 | -32 | -174.2 | -62.7 | -57.8 | 0 | 0 | 0 | 114.5 | G39 L45 I68 K71 L72 | G39-Y41 VanDerWaalsContact C-N 3.3Å; G39-Y41 WeakPolarHBondContact O-CD2 3.43Å; G39-Y41 PolarHBondContact O-N 3.09Å; Y41-L45 PolarHBondContact O-N 3.49Å; Y41-I68 HydrophobicContact CD1-CG2 4.09Å; Y41-I68 HydrophobicContact CG-CG2 4.26Å; Y41-I68 WeakPolarHBondContact O-CG2 3.42Å; Y41-K71 HydrophobicContact CD1-CB 4.06Å; Y41-K71 HydrophobicContact CD2-CB 4.21Å; Y41-K71 HydrophobicContact CE1-CB 3.91Å; Y41-K71 HydrophobicContact CE1-CG 3.98Å; Y41-K71 HydrophobicContact CE2-CB 4.08Å; Y41-K71 HydrophobicContact CG-CB 4.2Å; Y41-L72 HydrophobicContact CD2-CD2 4.49Å; Y41-L72 HydrophobicContact CG-CD2 4.47Å |
| 42 | V | 90.2 | Very high | 90.3 | Very high | 90 Ų | 90 | 52.4 Ų | 52.4 | 55% | 0.545 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.5 | -48 | 179.3 | -178.8 | 0 | 0 | 0 | 0 | 110.7 | N40 A44 L45 E46 L72 | N40-V42 VanDerWaalsContact C-N 3.34Å; N40-V42 PolarHBondContact O-N 2.86Å; V42-A44 VanDerWaalsContact C-N 3.31Å; V42-A44 PolarHBondContact O-N 3.03Å; V42-L45 WeakPolarHBondContact O-CB 3.27Å; V42-L45 PolarHBondContact O-N 3.45Å; V42-L45 VanDerWaalsContact O-N 3.11Å; V42-E46 PolarHBondContact O-N 3.49Å; V42-E46 VanDerWaalsContact O-N 3.15Å; V42-L72 HydrophobicContact CG2-CD2 4.02Å |
| 43 | E | 91.1 | Very high | 90.3 | Very high | 81 Ų | 81 | 60 Ų | 60 | 38% | 0.379 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.7 | -39.1 | 176.4 | -171.4 | 177.5 | -158.9 | 0 | 0 | 111.3 | A35 N40 L45 E46 F47 | A35-E43 HydrophobicContact CB-CB 4.37Å; A35-E43 HydrophobicContact CB-CG 4.34Å; N40-E43 HydrophobicContact CB-CB 4.18Å; N40-E43 PolarHBondContact ND2-OE2 2.96Å; N40-E43 PolarHBondContact O-N 3.24Å; E43-L45 VanDerWaalsContact C-N 3.31Å; E43-L45 PolarHBondContact O-N 3.31Å; E43-E46 PolarHBondContact O-N 2.87Å; E43-F47 HydrophobicContact CG-CD2 4.21Å; E43-F47 HydrophobicContact CG-CE2 3.67Å; E43-F47 HydrophobicContact CG-CZ 4.34Å; E43-F47 VanDerWaalsContact O-CD2 3.28Å; E43-F47 WeakPolarHBondContact O-CD2 3.42Å; E43-F47 PolarHBondContact O-N 3.46Å |
| 44 | A | 91.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.1 | -31.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A32 A35 C36 N40 V42 Y48 I68 | A32-A44 WeakPolarHBondContact O-CB 3.31Å; A35-A44 HydrophobicContact CB-CB 3.71Å; C36-A44 VanDerWaalsContact SG-CB 3.57Å; N40-A44 WeakPolarHBondContact O-CB 3.31Å; N40-A44 PolarHBondContact O-N 3.33Å; N40-A44 VanDerWaalsContact O-N 3.07Å; V42-A44 VanDerWaalsContact C-N 3.31Å; V42-A44 PolarHBondContact O-N 3.03Å; A44-Y48 WeakPolarHBondContact O-CB 3.44Å; A44-Y48 VanDerWaalsContact O-CD2 3.28Å; A44-Y48 WeakPolarHBondContact O-CD2 3.5Å; A44-Y48 PolarHBondContact O-N 3.33Å; A44-I68 HydrophobicContact CB-CD1 3.42Å; A44-I68 VanDerWaalsContact CB-CD1 3.42Å |
| 45 | L | 91.5 | Very high | 90.2 | Very high | 8 Ų | 8 | 57.8 Ų | 57.8 | 4% | 0.042 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.8 | -43.6 | 170.9 | -78.3 | 177.3 | 0 | 0 | 0 | 111.4 | Y41 V42 E43 F47 Y48 D49 R65 I68 F69 L72 | Y41-L45 PolarHBondContact O-N 3.49Å; V42-L45 WeakPolarHBondContact O-CB 3.27Å; V42-L45 PolarHBondContact O-N 3.45Å; V42-L45 VanDerWaalsContact O-N 3.11Å; E43-L45 VanDerWaalsContact C-N 3.31Å; E43-L45 PolarHBondContact O-N 3.31Å; L45-F47 VanDerWaalsContact C-N 3.3Å; L45-F47 PolarHBondContact O-N 3.3Å; L45-Y48 CarbonylContact O-C 3.54Å; L45-Y48 PolarHBondContact O-N 3.3Å; L45-Y48 VanDerWaalsContact O-N 3.11Å; L45-D49 WeakPolarHBondContact O-CB 3.31Å; L45-D49 PolarHBondContact O-N 2.91Å; L45-R65 HydrophobicContact CD2-CG 3.57Å; L45-I68 HydrophobicContact CD1-CG2 4.4Å; L45-I68 HydrophobicContact CD2-CB 3.89Å; L45-I68 HydrophobicContact CD2-CD1 4.44Å; L45-I68 HydrophobicContact CD2-CG2 3.87Å; L45-I68 HydrophobicContact CG-CB 4.3Å; L45-I68 HydrophobicContact CG-CG2 3.71Å; L45-F69 HydrophobicContact CD1-CD1 3.6Å; L45-F69 HydrophobicContact CD1-CE1 3.26Å; L45-F69 HydrophobicContact CD1-CZ 4.06Å; L45-F69 HydrophobicContact CD2-CD1 3.87Å; L45-F69 HydrophobicContact CD2-CD2 4.21Å; L45-F69 HydrophobicContact CD2-CE1 3.65Å; L45-F69 HydrophobicContact CD2-CE2 4.03Å; L45-F69 HydrophobicContact CD2-CG 4.12Å; L45-F69 HydrophobicContact CD2-CZ 3.73Å; L45-F69 HydrophobicContact CG-CD1 4.38Å; L45-F69 HydrophobicContact CG-CE1 4.09Å; L45-L72 HydrophobicContact CD1-CD1 3.27Å; L45-L72 HydrophobicContact CG-CD1 4.04Å |
| 46 | E | 90.8 | Very high | 90 | Very high | 125 Ų | 125 | 61 Ų | 61 | 58% | 0.584 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -58.8 | -43.9 | 177.9 | -67.3 | 177.9 | 174.5 | 0 | 0 | 111.1 | V42 E43 D49 T50 | V42-E46 PolarHBondContact O-N 3.49Å; V42-E46 VanDerWaalsContact O-N 3.15Å; E43-E46 PolarHBondContact O-N 2.87Å; E46-D49 PolarHBondContact O-N 2.91Å; E46-T50 WeakPolarHBondContact O-CB 3.42Å; E46-T50 WeakPolarHBondContact O-CG2 3.45Å; E46-T50 PolarHBondContact O-N 2.8Å; E46-T50 PolarHBondContact O-OG1 3.24Å |
| 47 | F | 92.6 | Very high | 90.1 | Very high | 57 Ų | 57 | 67 Ų | 67 | 25% | 0.25 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66 | -37.7 | 174.1 | -68.4 | -48.2 | 0 | 0 | 0 | 113.2 | L28 A32 A35 E43 L45 T50 A51 | L28-F47 HydrophobicContact CD2-CD1 3.82Å; A32-F47 HydrophobicContact CB-CB 3.58Å; A35-F47 HydrophobicContact CB-CD2 4.22Å; A35-F47 HydrophobicContact CB-CE2 4.36Å; E43-F47 HydrophobicContact CG-CD2 4.21Å; E43-F47 HydrophobicContact CG-CE2 3.67Å; E43-F47 HydrophobicContact CG-CZ 4.34Å; E43-F47 VanDerWaalsContact O-CD2 3.28Å; E43-F47 WeakPolarHBondContact O-CD2 3.42Å; E43-F47 PolarHBondContact O-N 3.46Å; L45-F47 VanDerWaalsContact C-N 3.3Å; L45-F47 PolarHBondContact O-N 3.3Å; F47-T50 WeakPolarHBondContact CA-OG1 3.32Å; F47-T50 PolarHBondContact O-OG1 3Å; F47-A51 VanDerWaalsContact O-CB 3.25Å; F47-A51 WeakPolarHBondContact O-CB 3.27Å; F47-A51 PolarHBondContact O-N 3.08Å |
| 48 | Y | 92.7 | Very high | 90.3 | Very high | 12 Ų | 12 | 64.3 Ų | 64.3 | 5% | 0.047 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -72.2 | -36 | 175.4 | -81.6 | -45 | 0 | 0 | 0 | 113.4 | A32 A44 L45 A51 L52 L61 N64 I68 | A32-Y48 HydrophobicContact CB-CD1 3.67Å; A32-Y48 HydrophobicContact CB-CD2 3.95Å; A32-Y48 HydrophobicContact CB-CE1 3.56Å; A32-Y48 HydrophobicContact CB-CE2 3.87Å; A32-Y48 HydrophobicContact CB-CG 3.84Å; A44-Y48 WeakPolarHBondContact O-CB 3.44Å; A44-Y48 VanDerWaalsContact O-CD2 3.28Å; A44-Y48 WeakPolarHBondContact O-CD2 3.5Å; A44-Y48 PolarHBondContact O-N 3.33Å; L45-Y48 CarbonylContact O-C 3.54Å; L45-Y48 PolarHBondContact O-N 3.3Å; L45-Y48 VanDerWaalsContact O-N 3.11Å; Y48-A51 PolarHBondContact O-N 3.41Å; Y48-L52 VanDerWaalsContact O-CB 3.31Å; Y48-L52 WeakPolarHBondContact O-CB 3.48Å; Y48-L52 WeakPolarHBondContact O-CG 3.36Å; Y48-L52 PolarHBondContact O-N 2.79Å; Y48-L61 HydrophobicContact CD1-CD2 3.9Å; Y48-L61 HydrophobicContact CE1-CD2 3.76Å; Y48-N64 HydrophobicContact CE1-CB 4.13Å; Y48-N64 HydrophobicContact CE2-CB 3.83Å; Y48-N64 PolarHBondContact OH-ND2 2.86Å; Y48-I68 HydrophobicContact CD2-CD1 3.42Å; Y48-I68 VanDerWaalsContact CD2-CD1 3.42Å; Y48-I68 HydrophobicContact CD2-CG1 4.24Å; Y48-I68 HydrophobicContact CE2-CD1 3.49Å; Y48-I68 VanDerWaalsContact CE2-CD1 3.49Å; Y48-I68 HydrophobicContact CE2-CG1 4.11Å |
| 49 | D | 91.3 | Very high | 90.3 | Very high | 55 Ų | 55 | 60.1 Ų | 60.1 | 29% | 0.294 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -67.8 | -43.9 | 177.6 | -76.6 | -28.4 | 0 | 0 | 0 | 110.2 | L45 E46 A51 L52 E53 R65 | L45-D49 WeakPolarHBondContact O-CB 3.31Å; L45-D49 PolarHBondContact O-N 2.91Å; E46-D49 PolarHBondContact O-N 2.91Å; D49-A51 VanDerWaalsContact C-N 3.35Å; D49-A51 PolarHBondContact O-N 2.79Å; D49-L52 CarbonylContact O-C 3.55Å; D49-L52 PolarHBondContact O-N 2.84Å; D49-L52 VanDerWaalsContact O-N 3.17Å; D49-E53 WeakPolarHBondContact O-CG 3.44Å; D49-E53 PolarHBondContact O-N 3.26Å; D49-R65 WeakPolarHBondContact OD1-CD 3.35Å; D49-R65 IonicContact OD1-CZ 3.59Å; D49-R65 IonicContact OD1-NE 3.75Å; D49-R65 IonicContact OD1-NH1 2.81Å; D49-R65 PolarHBondContact OD1-NH1 2.79Å |
| 50 | T | 90.6 | Very high | 90.5 | Very high | 50 Ų | 50 | 61.2 Ų | 61.2 | 31% | 0.307 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64 | -37.1 | 171.8 | 49.8 | 0 | 0 | 0 | 0 | 112.4 | L28 E46 F47 E53 L54 | L28-T50 WeakPolarHBondContact CD2-OG1 3.48Å; E46-T50 WeakPolarHBondContact O-CB 3.42Å; E46-T50 WeakPolarHBondContact O-CG2 3.45Å; E46-T50 PolarHBondContact O-N 2.8Å; E46-T50 PolarHBondContact O-OG1 3.24Å; F47-T50 WeakPolarHBondContact CA-OG1 3.32Å; F47-T50 PolarHBondContact O-OG1 3Å; T50-E53 PolarHBondContact O-N 3.36Å; T50-L54 PolarHBondContact O-N 2.86Å |
| 51 | A | 91.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.8 | -35.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F25 L28 V29 F47 Y48 D49 L54 D55 L61 | F25-A51 HydrophobicContact CD2-CB 4.18Å; F25-A51 WeakPolarHBondContact CD2-O 3.46Å; F25-A51 HydrophobicContact CE2-CB 4.14Å; F25-A51 WeakPolarHBondContact CE2-O 3.28Å; L28-A51 HydrophobicContact CB-CB 3.95Å; L28-A51 HydrophobicContact CD1-CB 4.49Å; V29-A51 HydrophobicContact CG2-CB 4.15Å; F47-A51 VanDerWaalsContact O-CB 3.25Å; F47-A51 WeakPolarHBondContact O-CB 3.27Å; F47-A51 PolarHBondContact O-N 3.08Å; Y48-A51 PolarHBondContact O-N 3.41Å; D49-A51 VanDerWaalsContact C-N 3.35Å; D49-A51 PolarHBondContact O-N 2.79Å; A51-L54 PolarHBondContact O-N 3.46Å; A51-D55 PolarHBondContact O-N 3.01Å; A51-L61 HydrophobicContact CB-CD1 3.65Å |
| 52 | L | 90.8 | Very high | 90.6 | Very high | 10 Ų | 10 | 54.4 Ų | 54.4 | 5% | 0.052 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -73.5 | -24.8 | 176.4 | -77.3 | 168.9 | 0 | 0 | 0 | 113 | Y48 D49 L54 D55 P56 L61 F62 R65 | Y48-L52 VanDerWaalsContact O-CB 3.31Å; Y48-L52 WeakPolarHBondContact O-CB 3.48Å; Y48-L52 WeakPolarHBondContact O-CG 3.36Å; Y48-L52 PolarHBondContact O-N 2.79Å; D49-L52 CarbonylContact O-C 3.55Å; D49-L52 PolarHBondContact O-N 2.84Å; D49-L52 VanDerWaalsContact O-N 3.17Å; L52-L54 VanDerWaalsContact C-N 3.29Å; L52-D55 CarbonylContact O-C 3.55Å; L52-P56 VanDerWaalsContact O-CA 3.24Å; L52-P56 WeakPolarHBondContact O-CA 3.32Å; L52-P56 VanDerWaalsContact O-N 3.1Å; L52-L61 HydrophobicContact CD2-CB 3.59Å; L52-L61 HydrophobicContact CD2-CD1 4.25Å; L52-L61 HydrophobicContact CG-CB 4Å; L52-L61 HydrophobicContact CG-CD1 4.32Å; L52-F62 HydrophobicContact CD1-CD1 3.89Å; L52-F62 HydrophobicContact CD1-CE1 3.8Å; L52-F62 HydrophobicContact CD1-CG 4.43Å; L52-F62 HydrophobicContact CD1-CZ 4.3Å; L52-F62 HydrophobicContact CD2-CD1 4.11Å; L52-F62 HydrophobicContact CD2-CD2 3.67Å; L52-F62 HydrophobicContact CD2-CE1 3.97Å; L52-F62 HydrophobicContact CD2-CE2 3.53Å; L52-F62 HydrophobicContact CD2-CG 3.96Å; L52-F62 HydrophobicContact CD2-CZ 3.68Å; L52-F62 HydrophobicContact CG-CE1 4.46Å; L52-F62 HydrophobicContact CG-CZ 4.48Å; L52-R65 HydrophobicContact CD1-CB 4.46Å |
| 53 | E | 89.1 | Confident | 90.7 | Very high | 159 Ų | 159 | 50.1 Ų | 50.1 | 74% | 0.743 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -65.8 | -33.6 | 167.9 | -73.9 | 174.8 | -179.3 | 0 | 0 | 111.5 | D49 T50 | D49-E53 WeakPolarHBondContact O-CG 3.44Å; D49-E53 PolarHBondContact O-N 3.26Å; T50-E53 PolarHBondContact O-N 3.36Å |
| 54 | L | 87.3 | Confident | 90.7 | Very high | 60 Ų | 60 | 48.2 Ų | 48.2 | 31% | 0.314 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -78.8 | -41.4 | 176.2 | -63.1 | 178 | 0 | 0 | 0 | 113.1 | R21 A24 F25 L28 T50 A51 L52 | R21-L54 HydrophobicContact CB-CD2 4.41Å; R21-L54 HydrophobicContact CG-CD2 4.11Å; A24-L54 HydrophobicContact CB-CD1 3.99Å; F25-L54 HydrophobicContact CB-CB 4.5Å; F25-L54 HydrophobicContact CB-CD1 4.02Å; F25-L54 HydrophobicContact CD2-CB 4.1Å; L28-L54 HydrophobicContact CD1-CD1 3.67Å; T50-L54 PolarHBondContact O-N 2.86Å; A51-L54 PolarHBondContact O-N 3.46Å; L52-L54 VanDerWaalsContact C-N 3.29Å |
| 55 | D | 87 | Confident | 90.8 | Very high | 54 Ų | 54 | 50.1 Ų | 50.1 | 29% | 0.289 | 25% | 0.25 | S | S | . | . | trans | -130.3 | 84.1 | 174.7 | -175.9 | 8.7 | 0 | 0 | 0 | 112.2 | F25 A51 L52 K57 N58 | F25-D55 HydrophobicContact CD2-CB 4.04Å; F25-D55 HydrophobicContact CE2-CB 3.59Å; F25-D55 HydrophobicContact CZ-CB 4.21Å; A51-D55 PolarHBondContact O-N 3.01Å; L52-D55 CarbonylContact O-C 3.55Å; D55-K57 PolarHBondContact O-N 3.42Å; D55-K57 VanDerWaalsContact O-N 3.09Å; D55-K57 PolarHBondContact OD1-N 2.81Å; D55-K57 VanDerWaalsContact OD1-N 3.09Å; D55-N58 HydrophobicContact CB-CB 4.28Å; D55-N58 PolarHBondContact O-N 3.06Å; D55-N58 PolarHBondContact OD1-N 3.04Å; D55-N58 WeakPolarHBondContact OD2-CB 3.1Å; D55-N58 PolarHBondContact OD2-ND2 2.77Å | ||
| 56 | P | 87.5 | Confident | 90.8 | Very high | 73 Ų | 73 | 49.8 Ų | 49.8 | 47% | 0.474 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | 0 | 179.6 | 28 | -34.9 | 0 | 0 | 0 | 113.6 | L52 F62 | L52-P56 VanDerWaalsContact O-CA 3.24Å; L52-P56 WeakPolarHBondContact O-CA 3.32Å; L52-P56 VanDerWaalsContact O-N 3.1Å; P56-F62 WeakPolarHBondContact O-CE2 3.28Å |
| 57 | K | 88.6 | Confident | 90.9 | Very high | 162 Ų | 162 | 44.9 Ų | 44.9 | 70% | 0.704 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | 1.6 | 175.5 | -66.5 | -177.6 | -179.4 | 176.8 | 0 | 112.6 | D55 H59 L88 | D55-K57 PolarHBondContact O-N 3.42Å; D55-K57 VanDerWaalsContact O-N 3.09Å; D55-K57 PolarHBondContact OD1-N 2.81Å; D55-K57 VanDerWaalsContact OD1-N 3.09Å; K57-H59 PolarHBondContact O-N 2.59Å; K57-L88 HydrophobicContact CB-CD2 4.36Å |
| 58 | N | 90.3 | Very high | 90.9 | Very high | 32 Ų | 32 | 42.5 Ų | 42.5 | 17% | 0.171 | 22% | 0.219 | C | C | . | . | trans | -77.3 | 91.2 | -178.7 | -153.3 | -52.4 | 0 | 0 | 0 | 112.8 | F25 D55 V60 L61 F62 | F25-N58 WeakPolarHBondContact CZ-ND2 3.41Å; D55-N58 HydrophobicContact CB-CB 4.28Å; D55-N58 PolarHBondContact O-N 3.06Å; D55-N58 PolarHBondContact OD1-N 3.04Å; D55-N58 WeakPolarHBondContact OD2-CB 3.1Å; D55-N58 PolarHBondContact OD2-ND2 2.77Å; N58-V60 PolarHBondContact O-N 3.47Å; N58-V60 VanDerWaalsContact O-N 3.14Å; N58-V60 WeakPolarHBondContact OD1-CB 3.49Å; N58-V60 PolarHBondContact OD1-N 3.4Å; N58-V60 VanDerWaalsContact OD1-N 3.13Å; N58-L61 HydrophobicContact CB-CB 4.14Å; N58-L61 HydrophobicContact CB-CD1 4.19Å; N58-L61 HydrophobicContact CB-CG 3.92Å; N58-L61 PolarHBondContact O-N 2.81Å; N58-L61 PolarHBondContact OD1-N 3.29Å; N58-F62 WeakPolarHBondContact O-CD2 3.41Å; N58-F62 PolarHBondContact O-N 2.88Å | ||
| 59 | H | 90.8 | Very high | 90.9 | Very high | 47 Ų | 47 | 42.4 Ų | 42.4 | 22% | 0.218 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -55.5 | -30.1 | 176.3 | 67.9 | -62.6 | 0 | 0 | 0 | 113.5 | K57 S63 S85 L88 N89 W92 | K57-H59 PolarHBondContact O-N 2.59Å; H59-S63 PolarHBondContact O-N 2.85Å; H59-S63 VanDerWaalsContact O-N 3.12Å; H59-S85 WeakPolarHBondContact O-CB 3.26Å; H59-S85 PolarHBondContact O-OG 3.29Å; H59-L88 HydrophobicContact CB-CB 3.68Å; H59-L88 HydrophobicContact CB-CD1 4.16Å; H59-N89 HydrophobicContact CB-CB 4.41Å; H59-N89 PolarHBondContact NE2-ND2 2.84Å; H59-W92 HydrophobicContact CB-CE3 4.46Å; H59-W92 AromaticContact CD2-CD2 3.48Å; H59-W92 VanDerWaalsContact CD2-CD2 3.48Å; H59-W92 AromaticContact CD2-CE3 3.24Å; H59-W92 AromaticContact CD2-CG 3.97Å; H59-W92 AromaticContact CD2-CZ3 3.76Å; H59-W92 AromaticContact NE2-CD2 3.91Å; H59-W92 WeakPolarHBondContact O-CZ3 3.21Å |
| 60 | V | 91.9 | Very high | 90.9 | Very high | 56 Ų | 56 | 41 Ų | 41 | 34% | 0.339 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -69.1 | -44 | 179.7 | -176 | 0 | 0 | 0 | 0 | 111.3 | N58 S63 N64 W92 | N58-V60 PolarHBondContact O-N 3.47Å; N58-V60 VanDerWaalsContact O-N 3.14Å; N58-V60 WeakPolarHBondContact OD1-CB 3.49Å; N58-V60 PolarHBondContact OD1-N 3.4Å; N58-V60 VanDerWaalsContact OD1-N 3.13Å; V60-S63 WeakPolarHBondContact O-CB 3.21Å; V60-S63 PolarHBondContact O-N 2.91Å; V60-S63 VanDerWaalsContact O-N 3.16Å; V60-N64 PolarHBondContact O-N 2.93Å; V60-W92 HydrophobicContact CB-CH2 4.06Å; V60-W92 HydrophobicContact CG1-CH2 4.14Å; V60-W92 HydrophobicContact CG2-CH2 3.86Å; V60-W92 HydrophobicContact CG2-CZ2 3.99Å; V60-W92 HydrophobicContact CG2-CZ3 4.49Å |
| 61 | L | 91.9 | Very high | 90.8 | Very high | 5 Ų | 5 | 45.6 Ų | 45.6 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.5 | -42.8 | 176.9 | -65.8 | -165.6 | 0 | 0 | 0 | 112.1 | F25 V29 Y48 A51 L52 N58 S63 N64 R65 | F25-L61 HydrophobicContact CD2-CD1 4.45Å; F25-L61 HydrophobicContact CE2-CD1 3.29Å; F25-L61 HydrophobicContact CE2-CG 4.38Å; F25-L61 HydrophobicContact CZ-CD1 3.42Å; F25-L61 VanDerWaalsContact CZ-CD1 3.42Å; F25-L61 HydrophobicContact CZ-CG 4.06Å; V29-L61 HydrophobicContact CG1-CD2 4.29Å; V29-L61 HydrophobicContact CG2-CD1 4.09Å; V29-L61 HydrophobicContact CG2-CD2 3.66Å; V29-L61 HydrophobicContact CG2-CG 4.48Å; Y48-L61 HydrophobicContact CD1-CD2 3.9Å; Y48-L61 HydrophobicContact CE1-CD2 3.76Å; A51-L61 HydrophobicContact CB-CD1 3.65Å; L52-L61 HydrophobicContact CD2-CB 3.59Å; L52-L61 HydrophobicContact CD2-CD1 4.25Å; L52-L61 HydrophobicContact CG-CB 4Å; L52-L61 HydrophobicContact CG-CD1 4.32Å; N58-L61 HydrophobicContact CB-CB 4.14Å; N58-L61 HydrophobicContact CB-CD1 4.19Å; N58-L61 HydrophobicContact CB-CG 3.92Å; N58-L61 PolarHBondContact O-N 2.81Å; N58-L61 PolarHBondContact OD1-N 3.29Å; L61-S63 VanDerWaalsContact C-N 3.28Å; L61-S63 PolarHBondContact O-N 2.77Å; L61-N64 PolarHBondContact O-N 3.34Å; L61-N64 VanDerWaalsContact O-N 3.11Å; L61-R65 WeakPolarHBondContact O-CB 3.21Å; L61-R65 PolarHBondContact O-N 2.87Å |
| 62 | F | 93.5 | Very high | 90.9 | Very high | 7 Ų | 7 | 47.9 Ų | 47.9 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.4 | -37.7 | 173.1 | -79.8 | -65.4 | 0 | 0 | 0 | 112.7 | L52 P56 N58 S66 S81 R84 L88 | L52-F62 HydrophobicContact CD1-CD1 3.89Å; L52-F62 HydrophobicContact CD1-CE1 3.8Å; L52-F62 HydrophobicContact CD1-CG 4.43Å; L52-F62 HydrophobicContact CD1-CZ 4.3Å; L52-F62 HydrophobicContact CD2-CD1 4.11Å; L52-F62 HydrophobicContact CD2-CD2 3.67Å; L52-F62 HydrophobicContact CD2-CE1 3.97Å; L52-F62 HydrophobicContact CD2-CE2 3.53Å; L52-F62 HydrophobicContact CD2-CG 3.96Å; L52-F62 HydrophobicContact CD2-CZ 3.68Å; L52-F62 HydrophobicContact CG-CE1 4.46Å; L52-F62 HydrophobicContact CG-CZ 4.48Å; P56-F62 WeakPolarHBondContact O-CE2 3.28Å; N58-F62 WeakPolarHBondContact O-CD2 3.41Å; N58-F62 PolarHBondContact O-N 2.88Å; F62-S66 WeakPolarHBondContact O-CB 3.18Å; F62-S66 PolarHBondContact O-N 3.45Å; F62-S81 WeakPolarHBondContact CB-O 3.33Å; F62-S81 WeakPolarHBondContact O-CB 3.17Å; F62-R84 HydrophobicContact CD1-CB 4.08Å; F62-R84 HydrophobicContact CD1-CG 4.15Å; F62-R84 HydrophobicContact CD2-CG 4.21Å; F62-R84 HydrophobicContact CE1-CB 4.34Å; F62-R84 HydrophobicContact CE1-CG 3.97Å; F62-R84 HydrophobicContact CE2-CG 4Å; F62-R84 HydrophobicContact CG-CB 4.21Å; F62-R84 HydrophobicContact CG-CG 4.29Å; F62-R84 HydrophobicContact CZ-CG 3.88Å; F62-L88 HydrophobicContact CD2-CD1 3.58Å; F62-L88 HydrophobicContact CE2-CD1 3.79Å |
| 63 | S | 92.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.1 | -39.6 | 173.2 | 146.5 | 0 | 0 | 0 | 0 | 112.6 | H59 V60 L61 S66 A67 R98 | H59-S63 PolarHBondContact O-N 2.85Å; H59-S63 VanDerWaalsContact O-N 3.12Å; V60-S63 WeakPolarHBondContact O-CB 3.21Å; V60-S63 PolarHBondContact O-N 2.91Å; V60-S63 VanDerWaalsContact O-N 3.16Å; L61-S63 VanDerWaalsContact C-N 3.28Å; L61-S63 PolarHBondContact O-N 2.77Å; S63-S66 WeakPolarHBondContact O-CB 3.5Å; S63-A67 PolarHBondContact O-N 3.37Å; S63-A67 VanDerWaalsContact O-N 3.09Å; S63-R98 PolarHBondContact O-NE 2.87Å; S63-R98 WeakPolarHBondContact OG-CG 3.4Å; S63-R98 PolarHBondContact OG-NE 2.7Å |
| 64 | N | 91.7 | Very high | 91 | Very high | 41 Ų | 41 | 48.2 Ų | 48.2 | 22% | 0.219 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.2 | -44.1 | 177.1 | -71.6 | -9 | 0 | 0 | 0 | 110.8 | Y48 V60 L61 S66 A67 I68 | Y48-N64 HydrophobicContact CE1-CB 4.13Å; Y48-N64 HydrophobicContact CE2-CB 3.83Å; Y48-N64 PolarHBondContact OH-ND2 2.86Å; V60-N64 PolarHBondContact O-N 2.93Å; L61-N64 PolarHBondContact O-N 3.34Å; L61-N64 VanDerWaalsContact O-N 3.11Å; N64-S66 VanDerWaalsContact C-N 3.32Å; N64-S66 PolarHBondContact O-N 3.18Å; N64-A67 WeakPolarHBondContact O-CA 3.34Å; N64-A67 VanDerWaalsContact O-CB 3.31Å; N64-A67 WeakPolarHBondContact O-CB 3.48Å; N64-A67 PolarHBondContact O-N 3.29Å; N64-I68 WeakPolarHBondContact O-CG1 3.35Å; N64-I68 PolarHBondContact O-N 2.78Å |
| 65 | R | 92.7 | Very high | 91.2 | Very high | 40 Ų | 40 | 49 Ų | 49 | 15% | 0.151 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.6 | -45 | 173.2 | -162.6 | 179.9 | 69.3 | 168.5 | 10.9 | 111.6 | L45 D49 L52 L61 A67 I68 F69 S81 | L45-R65 HydrophobicContact CD2-CG 3.57Å; D49-R65 WeakPolarHBondContact OD1-CD 3.35Å; D49-R65 IonicContact OD1-CZ 3.59Å; D49-R65 IonicContact OD1-NE 3.75Å; D49-R65 IonicContact OD1-NH1 2.81Å; D49-R65 PolarHBondContact OD1-NH1 2.79Å; L52-R65 HydrophobicContact CD1-CB 4.46Å; L61-R65 WeakPolarHBondContact O-CB 3.21Å; L61-R65 PolarHBondContact O-N 2.87Å; R65-A67 VanDerWaalsContact C-N 3.32Å; R65-A67 PolarHBondContact O-N 3.4Å; R65-I68 PolarHBondContact O-N 2.95Å; R65-I68 VanDerWaalsContact O-N 3.15Å; R65-F69 HydrophobicContact CG-CD2 3.83Å; R65-F69 HydrophobicContact CG-CE2 3.47Å; R65-F69 VanDerWaalsContact CG-CE2 3.47Å; R65-F69 HydrophobicContact CG-CZ 4.18Å; R65-F69 WeakPolarHBondContact O-CD2 3.37Å; R65-F69 PolarHBondContact O-N 3.29Å; R65-S81 PolarHBondContact NE-OG 2.94Å; R65-S81 PolarHBondContact NH2-OG 3.37Å |
| 66 | S | 92.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -55.6 | -45.2 | 172.1 | 176 | 0 | 0 | 0 | 0 | 112.4 | F62 S63 N64 I68 F69 C70 A78 | F62-S66 WeakPolarHBondContact O-CB 3.18Å; F62-S66 PolarHBondContact O-N 3.45Å; S63-S66 WeakPolarHBondContact O-CB 3.5Å; N64-S66 VanDerWaalsContact C-N 3.32Å; N64-S66 PolarHBondContact O-N 3.18Å; S66-I68 VanDerWaalsContact C-N 3.32Å; S66-I68 PolarHBondContact O-N 3.47Å; S66-F69 PolarHBondContact O-N 2.87Å; S66-C70 PolarHBondContact O-N 3.43Å; S66-C70 PolarHBondContact O-SG 2.81Å; S66-A78 VanDerWaalsContact CB-O 3.23Å; S66-A78 WeakPolarHBondContact CB-O 3.1Å; S66-A78 WeakPolarHBondContact O-CB 3.48Å; S66-A78 PolarHBondContact OG-O 2.83Å |
| 67 | A | 91.9 | Very high | 91.5 | Very high | 23 Ų | 23 | 53.6 Ų | 53.6 | 19% | 0.19 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.8 | -38.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S63 N64 R65 K71 R98 | S63-A67 PolarHBondContact O-N 3.37Å; S63-A67 VanDerWaalsContact O-N 3.09Å; N64-A67 WeakPolarHBondContact O-CA 3.34Å; N64-A67 VanDerWaalsContact O-CB 3.31Å; N64-A67 WeakPolarHBondContact O-CB 3.48Å; N64-A67 PolarHBondContact O-N 3.29Å; R65-A67 VanDerWaalsContact C-N 3.32Å; R65-A67 PolarHBondContact O-N 3.4Å; A67-K71 WeakPolarHBondContact O-CG 3.17Å; A67-K71 PolarHBondContact O-N 3.15Å; A67-R98 VanDerWaalsContact CB-CZ 3.49Å |
| 68 | I | 92.5 | Very high | 91.7 | Very high | 6 Ų | 6 | 45.9 Ų | 45.9 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.9 | -48.2 | 174.8 | -57.1 | -164.7 | 0 | 0 | 0 | 111.1 | C36 Y41 A44 L45 Y48 N64 R65 S66 C70 K71 L72 | C36-I68 WeakPolarHBondContact SG-CD1 3.42Å; Y41-I68 HydrophobicContact CD1-CG2 4.09Å; Y41-I68 HydrophobicContact CG-CG2 4.26Å; Y41-I68 WeakPolarHBondContact O-CG2 3.42Å; A44-I68 HydrophobicContact CB-CD1 3.42Å; A44-I68 VanDerWaalsContact CB-CD1 3.42Å; L45-I68 HydrophobicContact CD1-CG2 4.4Å; L45-I68 HydrophobicContact CD2-CB 3.89Å; L45-I68 HydrophobicContact CD2-CD1 4.44Å; L45-I68 HydrophobicContact CD2-CG2 3.87Å; L45-I68 HydrophobicContact CG-CB 4.3Å; L45-I68 HydrophobicContact CG-CG2 3.71Å; Y48-I68 HydrophobicContact CD2-CD1 3.42Å; Y48-I68 VanDerWaalsContact CD2-CD1 3.42Å; Y48-I68 HydrophobicContact CD2-CG1 4.24Å; Y48-I68 HydrophobicContact CE2-CD1 3.49Å; Y48-I68 VanDerWaalsContact CE2-CD1 3.49Å; Y48-I68 HydrophobicContact CE2-CG1 4.11Å; N64-I68 WeakPolarHBondContact O-CG1 3.35Å; N64-I68 PolarHBondContact O-N 2.78Å; R65-I68 PolarHBondContact O-N 2.95Å; R65-I68 VanDerWaalsContact O-N 3.15Å; S66-I68 VanDerWaalsContact C-N 3.32Å; S66-I68 PolarHBondContact O-N 3.47Å; I68-C70 PolarHBondContact O-N 3.13Å; I68-K71 CarbonylContact O-C 3.52Å; I68-K71 WeakPolarHBondContact O-CA 3.11Å; I68-K71 WeakPolarHBondContact O-CB 3.33Å; I68-K71 PolarHBondContact O-N 3.3Å; I68-L72 HydrophobicContact CG2-CD1 3.91Å; I68-L72 HydrophobicContact CG2-CG 4.31Å; I68-L72 PolarHBondContact O-N 2.82Å |
| 69 | F | 93.6 | Very high | 91.8 | Very high | 11 Ų | 11 | 46.1 Ų | 46.1 | 5% | 0.048 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.1 | -38.4 | 178.4 | -78.2 | -49.6 | 0 | 0 | 0 | 111.8 | L45 R65 S66 K71 L72 A73 R74 E77 A78 | L45-F69 HydrophobicContact CD1-CD1 3.6Å; L45-F69 HydrophobicContact CD1-CE1 3.26Å; L45-F69 HydrophobicContact CD1-CZ 4.06Å; L45-F69 HydrophobicContact CD2-CD1 3.87Å; L45-F69 HydrophobicContact CD2-CD2 4.21Å; L45-F69 HydrophobicContact CD2-CE1 3.65Å; L45-F69 HydrophobicContact CD2-CE2 4.03Å; L45-F69 HydrophobicContact CD2-CG 4.12Å; L45-F69 HydrophobicContact CD2-CZ 3.73Å; L45-F69 HydrophobicContact CG-CD1 4.38Å; L45-F69 HydrophobicContact CG-CE1 4.09Å; R65-F69 HydrophobicContact CG-CD2 3.83Å; R65-F69 HydrophobicContact CG-CE2 3.47Å; R65-F69 VanDerWaalsContact CG-CE2 3.47Å; R65-F69 HydrophobicContact CG-CZ 4.18Å; R65-F69 WeakPolarHBondContact O-CD2 3.37Å; R65-F69 PolarHBondContact O-N 3.29Å; S66-F69 PolarHBondContact O-N 2.87Å; F69-K71 PolarHBondContact O-N 3.37Å; F69-L72 CarbonylContact O-C 3.29Å; F69-L72 PolarHBondContact O-N 3.09Å; F69-A73 PolarHBondContact O-N 3.33Å; F69-R74 HydrophobicContact CB-CB 4.42Å; F69-R74 HydrophobicContact CD1-CB 4.02Å; F69-R74 PolarHBondContact O-N 3.26Å; F69-E77 HydrophobicContact CD1-CB 3.99Å; F69-E77 WeakPolarHBondContact CD1-OE2 3.21Å; F69-E77 HydrophobicContact CD2-CB 3.84Å; F69-E77 HydrophobicContact CE1-CB 4.08Å; F69-E77 WeakPolarHBondContact CE1-OE2 3.28Å; F69-E77 HydrophobicContact CE2-CB 3.9Å; F69-E77 HydrophobicContact CG-CB 3.9Å; F69-E77 HydrophobicContact CZ-CB 4.06Å; F69-A78 HydrophobicContact CB-CB 3.52Å |
| 70 | C | 90.7 | Very high | 91.9 | Very high | 25 Ų | 25 | 49.7 Ų | 49.7 | 17% | 0.169 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.5 | -40.6 | 169.9 | -75.3 | 0 | 0 | 0 | 0 | 113.2 | S66 I68 L72 A73 A78 A102 | S66-C70 PolarHBondContact O-N 3.43Å; S66-C70 PolarHBondContact O-SG 2.81Å; I68-C70 PolarHBondContact O-N 3.13Å; C70-L72 VanDerWaalsContact C-N 3.29Å; C70-L72 PolarHBondContact O-N 2.74Å; C70-A73 PolarHBondContact O-N 2.87Å; C70-A78 WeakPolarHBondContact SG-CB 3.07Å; C70-A102 WeakPolarHBondContact SG-CA 3.44Å |
| 71 | K | 89.7 | Confident | 91.9 | Very high | 146 Ų | 146 | 47 Ų | 47 | 64% | 0.635 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -67.7 | -29.1 | 176.6 | -69.3 | -69.6 | -176.9 | 179.8 | 0 | 112.8 | Y41 A67 I68 F69 A73 | Y41-K71 HydrophobicContact CD1-CB 4.06Å; Y41-K71 HydrophobicContact CD2-CB 4.21Å; Y41-K71 HydrophobicContact CE1-CB 3.91Å; Y41-K71 HydrophobicContact CE1-CG 3.98Å; Y41-K71 HydrophobicContact CE2-CB 4.08Å; Y41-K71 HydrophobicContact CG-CB 4.2Å; A67-K71 WeakPolarHBondContact O-CG 3.17Å; A67-K71 PolarHBondContact O-N 3.15Å; I68-K71 CarbonylContact O-C 3.52Å; I68-K71 WeakPolarHBondContact O-CA 3.11Å; I68-K71 WeakPolarHBondContact O-CB 3.33Å; I68-K71 PolarHBondContact O-N 3.3Å; F69-K71 PolarHBondContact O-N 3.37Å; K71-A73 VanDerWaalsContact C-N 3.28Å |
| 72 | L | 91.6 | Very high | 92 | Very high | 48 Ų | 48 | 46.8 Ų | 46.8 | 25% | 0.251 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 3.7 | 174.3 | -72.3 | 171.4 | 0 | 0 | 0 | 113.8 | Y41 V42 L45 I68 F69 C70 R74 | Y41-L72 HydrophobicContact CD2-CD2 4.49Å; Y41-L72 HydrophobicContact CG-CD2 4.47Å; V42-L72 HydrophobicContact CG2-CD2 4.02Å; L45-L72 HydrophobicContact CD1-CD1 3.27Å; L45-L72 HydrophobicContact CG-CD1 4.04Å; I68-L72 HydrophobicContact CG2-CD1 3.91Å; I68-L72 HydrophobicContact CG2-CG 4.31Å; I68-L72 PolarHBondContact O-N 2.82Å; F69-L72 CarbonylContact O-C 3.29Å; F69-L72 PolarHBondContact O-N 3.09Å; C70-L72 VanDerWaalsContact C-N 3.29Å; C70-L72 PolarHBondContact O-N 2.74Å; L72-R74 HydrophobicContact CB-CG 4.28Å; L72-R74 PolarHBondContact O-N 3.44Å |
| 73 | A | 90.3 | Very high | 92 | Very high | 55 Ų | 55 | 50.3 Ų | 50.3 | 46% | 0.455 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 20 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115 | F69 C70 K71 Y75 | F69-A73 PolarHBondContact O-N 3.33Å; C70-A73 PolarHBondContact O-N 2.87Å; K71-A73 VanDerWaalsContact C-N 3.28Å; A73-Y75 HydrophobicContact CB-CE1 4.21Å; A73-Y75 HydrophobicContact CB-CE2 4.13Å; A73-Y75 WeakPolarHBondContact CB-OH 3.29Å; A73-Y75 PolarHBondContact O-N 3.04Å |
| 74 | R | 91.6 | Very high | 91.9 | Very high | 121 Ų | 121 | 57.4 Ų | 57.4 | 46% | 0.457 | 27% | 0.269 | S | S | . | . | trans | -91.6 | 68.9 | 174.6 | -66.6 | 175.3 | 75.6 | -177.2 | -5.4 | 109.6 | F69 L72 E76 E77 A78 | F69-R74 HydrophobicContact CB-CB 4.42Å; F69-R74 HydrophobicContact CD1-CB 4.02Å; F69-R74 PolarHBondContact O-N 3.26Å; L72-R74 HydrophobicContact CB-CG 4.28Å; L72-R74 PolarHBondContact O-N 3.44Å; R74-E76 PolarHBondContact O-N 2.64Å; R74-E77 WeakPolarHBondContact CB-OE2 3.44Å; R74-E77 WeakPolarHBondContact CD-OE2 3.43Å; R74-E77 VanDerWaalsContact CZ-CD 3.49Å; R74-E77 IonicContact CZ-OE1 3.85Å; R74-E77 VanDerWaalsContact CZ-OE1 3.26Å; R74-E77 IonicContact CZ-OE2 3.93Å; R74-E77 IonicContact NE-OE1 3.84Å; R74-E77 PolarHBondContact NE-OE1 2.99Å; R74-E77 VanDerWaalsContact NE-OE1 3.09Å; R74-E77 IonicContact NE-OE2 2.68Å; R74-E77 PolarHBondContact NE-OE2 3.43Å; R74-E77 IonicContact NH1-OE2 3.06Å; R74-E77 IonicContact NH2-OE1 3.89Å; R74-E77 PolarHBondContact NH2-OE1 3.32Å; R74-E77 IonicContact NH2-OE2 2.76Å; R74-E77 PolarHBondContact NH2-OE2 3.11Å; R74-A78 PolarHBondContact O-N 3.25Å; R74-A78 VanDerWaalsContact O-N 3.1Å | ||
| 75 | Y | 92.2 | Very high | 92 | Very high | 78 Ų | 78 | 55.4 Ų | 55.4 | 31% | 0.306 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -70.3 | -30.7 | -165.7 | -50.4 | -58.3 | 0 | 0 | 0 | 115 | A73 A78 L79 C105 | A73-Y75 HydrophobicContact CB-CE1 4.21Å; A73-Y75 HydrophobicContact CB-CE2 4.13Å; A73-Y75 WeakPolarHBondContact CB-OH 3.29Å; A73-Y75 PolarHBondContact O-N 3.04Å; Y75-A78 WeakPolarHBondContact O-CB 3.27Å; Y75-A78 PolarHBondContact O-N 3.05Å; Y75-L79 WeakPolarHBondContact O-CB 3.44Å; Y75-L79 PolarHBondContact O-N 2.75Å; Y75-C105 HydrophobicContact CD1-CB 3.55Å; Y75-C105 HydrophobicContact CE1-CB 3.34Å; Y75-C105 WeakPolarHBondContact CE2-O 3.48Å; Y75-C105 HydrophobicContact CG-CB 4.35Å |
| 76 | E | 89.6 | Confident | 91.9 | Very high | 165 Ų | 165 | 54.5 Ų | 54.5 | 77% | 0.771 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -64.4 | -47 | 177.7 | -66.9 | -178 | 170.7 | 0 | 0 | 111.1 | R74 A78 L79 E80 | R74-E76 PolarHBondContact O-N 2.64Å; E76-A78 VanDerWaalsContact C-N 3.3Å; E76-A78 PolarHBondContact O-N 3.01Å; E76-L79 WeakPolarHBondContact O-CA 3.41Å; E76-L79 WeakPolarHBondContact O-CB 3.14Å; E76-L79 PolarHBondContact O-N 3.23Å; E76-L79 VanDerWaalsContact O-N 3.1Å; E76-E80 PolarHBondContact O-N 2.78Å |
| 77 | E | 91.5 | Very high | 91.9 | Very high | 57 Ų | 57 | 62 Ų | 62 | 27% | 0.266 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -68.8 | -31 | 176.5 | -62.3 | 160.7 | -167.7 | 0 | 0 | 112.3 | F69 R74 L79 S81 | F69-E77 HydrophobicContact CD1-CB 3.99Å; F69-E77 WeakPolarHBondContact CD1-OE2 3.21Å; F69-E77 HydrophobicContact CD2-CB 3.84Å; F69-E77 HydrophobicContact CE1-CB 4.08Å; F69-E77 WeakPolarHBondContact CE1-OE2 3.28Å; F69-E77 HydrophobicContact CE2-CB 3.9Å; F69-E77 HydrophobicContact CG-CB 3.9Å; F69-E77 HydrophobicContact CZ-CB 4.06Å; R74-E77 WeakPolarHBondContact CB-OE2 3.44Å; R74-E77 WeakPolarHBondContact CD-OE2 3.43Å; R74-E77 VanDerWaalsContact CZ-CD 3.49Å; R74-E77 IonicContact CZ-OE1 3.85Å; R74-E77 VanDerWaalsContact CZ-OE1 3.26Å; R74-E77 IonicContact CZ-OE2 3.93Å; R74-E77 IonicContact NE-OE1 3.84Å; R74-E77 PolarHBondContact NE-OE1 2.99Å; R74-E77 VanDerWaalsContact NE-OE1 3.09Å; R74-E77 IonicContact NE-OE2 2.68Å; R74-E77 PolarHBondContact NE-OE2 3.43Å; R74-E77 IonicContact NH1-OE2 3.06Å; R74-E77 IonicContact NH2-OE1 3.89Å; R74-E77 PolarHBondContact NH2-OE1 3.32Å; R74-E77 IonicContact NH2-OE2 2.76Å; R74-E77 PolarHBondContact NH2-OE2 3.11Å; E77-L79 VanDerWaalsContact C-N 3.31Å; E77-S81 VanDerWaalsContact O-CB 3.32Å; E77-S81 WeakPolarHBondContact O-CB 3.47Å; E77-S81 PolarHBondContact O-N 2.72Å; E77-S81 PolarHBondContact O-OG 3.47Å |
| 78 | A | 93.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.5 | -42 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | S66 F69 C70 R74 Y75 E76 A82 A102 | S66-A78 VanDerWaalsContact CB-O 3.23Å; S66-A78 WeakPolarHBondContact CB-O 3.1Å; S66-A78 WeakPolarHBondContact O-CB 3.48Å; S66-A78 PolarHBondContact OG-O 2.83Å; F69-A78 HydrophobicContact CB-CB 3.52Å; C70-A78 WeakPolarHBondContact SG-CB 3.07Å; R74-A78 PolarHBondContact O-N 3.25Å; R74-A78 VanDerWaalsContact O-N 3.1Å; Y75-A78 WeakPolarHBondContact O-CB 3.27Å; Y75-A78 PolarHBondContact O-N 3.05Å; E76-A78 VanDerWaalsContact C-N 3.3Å; E76-A78 PolarHBondContact O-N 3.01Å; A78-A82 WeakPolarHBondContact O-CB 3.06Å; A78-A82 PolarHBondContact O-N 2.78Å; A78-A102 HydrophobicContact CB-CB 3.85Å |
| 79 | L | 92.6 | Very high | 91.7 | Very high | 37 Ų | 37 | 66.3 Ų | 66.3 | 19% | 0.194 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.9 | -48.8 | 177.4 | -177.3 | 150.3 | 0 | 0 | 0 | 110.8 | Y75 E76 E77 S81 A82 E83 A102 L103 | Y75-L79 WeakPolarHBondContact O-CB 3.44Å; Y75-L79 PolarHBondContact O-N 2.75Å; E76-L79 WeakPolarHBondContact O-CA 3.41Å; E76-L79 WeakPolarHBondContact O-CB 3.14Å; E76-L79 PolarHBondContact O-N 3.23Å; E76-L79 VanDerWaalsContact O-N 3.1Å; E77-L79 VanDerWaalsContact C-N 3.31Å; L79-S81 VanDerWaalsContact C-N 3.29Å; L79-S81 PolarHBondContact O-N 3.34Å; L79-A82 PolarHBondContact O-N 2.81Å; L79-A82 VanDerWaalsContact O-N 3.11Å; L79-E83 HydrophobicContact CD2-CG 4.05Å; L79-E83 WeakPolarHBondContact CD2-OE2 3.46Å; L79-E83 WeakPolarHBondContact O-CB 3.46Å; L79-E83 WeakPolarHBondContact O-CG 3.14Å; L79-E83 PolarHBondContact O-N 3.38Å; L79-A102 HydrophobicContact CB-CB 4.33Å; L79-L103 HydrophobicContact CD1-CD2 3.27Å; L79-L103 HydrophobicContact CD1-CG 3.7Å |
| 80 | E | 92.7 | Very high | 91.4 | Very high | 123 Ų | 123 | 70 Ų | 70 | 58% | 0.575 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -55.9 | -44.2 | 175.9 | -73.2 | -174.7 | 173.2 | 0 | 0 | 111.9 | E76 E83 R84 | E76-E80 PolarHBondContact O-N 2.78Å; E80-E83 PolarHBondContact O-N 2.74Å; E80-R84 WeakPolarHBondContact O-CB 3.41Å; E80-R84 PolarHBondContact O-N 3.34Å |
| 81 | S | 92.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.2 | -39.7 | 178.5 | -57.9 | 0 | 0 | 0 | 0 | 111.5 | F62 R65 E77 L79 R84 S85 | F62-S81 WeakPolarHBondContact CB-O 3.33Å; F62-S81 WeakPolarHBondContact O-CB 3.17Å; R65-S81 PolarHBondContact NE-OG 2.94Å; R65-S81 PolarHBondContact NH2-OG 3.37Å; E77-S81 VanDerWaalsContact O-CB 3.32Å; E77-S81 WeakPolarHBondContact O-CB 3.47Å; E77-S81 PolarHBondContact O-N 2.72Å; E77-S81 PolarHBondContact O-OG 3.47Å; L79-S81 VanDerWaalsContact C-N 3.29Å; L79-S81 PolarHBondContact O-N 3.34Å; S81-R84 PolarHBondContact O-N 2.98Å; S81-S85 WeakPolarHBondContact O-CB 3.5Å; S81-S85 PolarHBondContact O-N 2.83Å |
| 82 | A | 93 | Very high | 91.1 | Very high | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -69.1 | -37.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A78 L79 S85 L86 R98 K99 | A78-A82 WeakPolarHBondContact O-CB 3.06Å; A78-A82 PolarHBondContact O-N 2.78Å; L79-A82 PolarHBondContact O-N 2.81Å; L79-A82 VanDerWaalsContact O-N 3.11Å; A82-S85 WeakPolarHBondContact O-CB 3.26Å; A82-S85 PolarHBondContact O-N 3.4Å; A82-L86 PolarHBondContact O-N 2.89Å; A82-R98 HydrophobicContact CB-CB 4.07Å; A82-K99 VanDerWaalsContact CB-CA 3.46Å; A82-K99 HydrophobicContact CB-CB 3.59Å; A82-K99 HydrophobicContact CB-CG 4.35Å |
| 83 | E | 92.8 | Very high | 91 | Very high | 81 Ų | 81 | 71.4 Ų | 71.4 | 38% | 0.379 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.6 | -40.7 | 174.2 | -74.3 | -172.1 | 156.3 | 0 | 0 | 111.6 | L79 E80 S85 L86 H87 K99 | L79-E83 HydrophobicContact CD2-CG 4.05Å; L79-E83 WeakPolarHBondContact CD2-OE2 3.46Å; L79-E83 WeakPolarHBondContact O-CB 3.46Å; L79-E83 WeakPolarHBondContact O-CG 3.14Å; L79-E83 PolarHBondContact O-N 3.38Å; E80-E83 PolarHBondContact O-N 2.74Å; E83-S85 VanDerWaalsContact C-N 3.31Å; E83-S85 PolarHBondContact O-N 2.82Å; E83-L86 PolarHBondContact O-N 3.43Å; E83-H87 WeakPolarHBondContact O-CB 3.29Å; E83-H87 PolarHBondContact O-N 3.42Å; E83-K99 HydrophobicContact CG-CD 3.84Å; E83-K99 WeakPolarHBondContact OE1-CE 3.39Å; E83-K99 IonicContact OE1-NZ 3.88Å; E83-K99 PolarHBondContact OE1-NZ 2.79Å |
| 84 | R | 91.7 | Very high | 90.9 | Very high | 148 Ų | 148 | 73.9 Ų | 73.9 | 56% | 0.558 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -64.3 | -37.9 | 174 | -157.2 | 151.3 | -176.7 | 157.8 | -0.1 | 111.9 | F62 E80 S81 H87 L88 | F62-R84 HydrophobicContact CD1-CB 4.08Å; F62-R84 HydrophobicContact CD1-CG 4.15Å; F62-R84 HydrophobicContact CD2-CG 4.21Å; F62-R84 HydrophobicContact CE1-CB 4.34Å; F62-R84 HydrophobicContact CE1-CG 3.97Å; F62-R84 HydrophobicContact CE2-CG 4Å; F62-R84 HydrophobicContact CG-CB 4.21Å; F62-R84 HydrophobicContact CG-CG 4.29Å; F62-R84 HydrophobicContact CZ-CG 3.88Å; E80-R84 WeakPolarHBondContact O-CB 3.41Å; E80-R84 PolarHBondContact O-N 3.34Å; S81-R84 PolarHBondContact O-N 2.98Å; R84-H87 PolarHBondContact O-N 3.15Å; R84-L88 VanDerWaalsContact O-CG 3.29Å; R84-L88 WeakPolarHBondContact O-CG 3.33Å; R84-L88 PolarHBondContact O-N 2.79Å |
| 85 | S | 93.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.7 | -45.4 | 172.6 | -172 | 0 | 0 | 0 | 0 | 112.5 | H59 S81 A82 E83 L88 N89 W92 A95 | H59-S85 WeakPolarHBondContact O-CB 3.26Å; H59-S85 PolarHBondContact O-OG 3.29Å; S81-S85 WeakPolarHBondContact O-CB 3.5Å; S81-S85 PolarHBondContact O-N 2.83Å; A82-S85 WeakPolarHBondContact O-CB 3.26Å; A82-S85 PolarHBondContact O-N 3.4Å; E83-S85 VanDerWaalsContact C-N 3.31Å; E83-S85 PolarHBondContact O-N 2.82Å; S85-L88 PolarHBondContact O-N 3.32Å; S85-N89 PolarHBondContact O-N 3.19Å; S85-W92 VanDerWaalsContact OG-CZ3 3.24Å; S85-W92 WeakPolarHBondContact OG-CZ3 3.31Å; S85-A95 WeakPolarHBondContact OG-CB 3.24Å |
| 86 | L | 91 | Very high | 91 | Very high | 21 Ų | 21 | 65.9 Ų | 65.9 | 11% | 0.11 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.8 | -37.6 | 174.9 | -80.4 | 169.8 | 0 | 0 | 0 | 112.8 | A82 E83 L88 N89 P90 A95 F96 K99 | A82-L86 PolarHBondContact O-N 2.89Å; E83-L86 PolarHBondContact O-N 3.43Å; L86-L88 VanDerWaalsContact C-N 3.27Å; L86-L88 PolarHBondContact O-N 2.79Å; L86-N89 CarbonylContact O-C 3.58Å; L86-N89 PolarHBondContact O-N 3.2Å; L86-P90 WeakPolarHBondContact O-CA 3.23Å; L86-A95 HydrophobicContact CD2-CB 3.64Å; L86-A95 HydrophobicContact CG-CB 3.62Å; L86-F96 HydrophobicContact CD1-CD1 3.98Å; L86-F96 HydrophobicContact CD1-CE1 4.12Å; L86-F96 HydrophobicContact CD1-CG 4.43Å; L86-F96 HydrophobicContact CD2-CD1 3.89Å; L86-F96 HydrophobicContact CD2-CD2 3.54Å; L86-F96 HydrophobicContact CD2-CE1 3.83Å; L86-F96 HydrophobicContact CD2-CE2 3.49Å; L86-F96 VanDerWaalsContact CD2-CE2 3.49Å; L86-F96 HydrophobicContact CD2-CG 3.75Å; L86-F96 HydrophobicContact CD2-CZ 3.63Å; L86-K99 HydrophobicContact CD1-CB 4.08Å; L86-K99 HydrophobicContact CD1-CD 3.55Å; L86-K99 HydrophobicContact CD1-CG 4.44Å |
| 87 | H | 91.4 | Very high | 91.1 | Very high | 157 Ų | 157 | 60.9 Ų | 60.9 | 73% | 0.727 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -62.8 | -37.4 | 175.8 | -174.9 | -70.2 | 0 | 0 | 0 | 111.5 | E83 R84 | E83-H87 WeakPolarHBondContact O-CB 3.29Å; E83-H87 PolarHBondContact O-N 3.42Å; R84-H87 PolarHBondContact O-N 3.15Å |
| 88 | L | 91.1 | Very high | 91.2 | Very high | 63 Ų | 63 | 60.3 Ų | 60.3 | 33% | 0.33 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -74.7 | -35.2 | 177 | -70.3 | 167.3 | 0 | 0 | 0 | 112.6 | K57 H59 F62 R84 S85 L86 | K57-L88 HydrophobicContact CB-CD2 4.36Å; H59-L88 HydrophobicContact CB-CB 3.68Å; H59-L88 HydrophobicContact CB-CD1 4.16Å; F62-L88 HydrophobicContact CD2-CD1 3.58Å; F62-L88 HydrophobicContact CE2-CD1 3.79Å; R84-L88 VanDerWaalsContact O-CG 3.29Å; R84-L88 WeakPolarHBondContact O-CG 3.33Å; R84-L88 PolarHBondContact O-N 2.79Å; S85-L88 PolarHBondContact O-N 3.32Å; L86-L88 VanDerWaalsContact C-N 3.27Å; L86-L88 PolarHBondContact O-N 2.79Å |
| 89 | N | 89.4 | Confident | 91.3 | Very high | 56 Ų | 56 | 62.4 Ų | 62.4 | 30% | 0.299 | 29% | 0.285 | S | S | . | . | trans | -140.6 | 93.4 | 174 | -170.2 | -10.7 | 0 | 0 | 0 | 112 | H59 S85 L86 K91 W92 | H59-N89 HydrophobicContact CB-CB 4.41Å; H59-N89 PolarHBondContact NE2-ND2 2.84Å; S85-N89 PolarHBondContact O-N 3.19Å; L86-N89 CarbonylContact O-C 3.58Å; L86-N89 PolarHBondContact O-N 3.2Å; N89-K91 PolarHBondContact O-N 3.12Å; N89-K91 VanDerWaalsContact O-N 3.16Å; N89-K91 PolarHBondContact OD1-N 2.93Å; N89-W92 HydrophobicContact CB-CB 3.92Å; N89-W92 WeakPolarHBondContact O-CB 3.38Å; N89-W92 PolarHBondContact O-N 2.96Å; N89-W92 VanDerWaalsContact O-N 3.13Å | ||
| 90 | P | 87.2 | Confident | 91.2 | Very high | 88 Ų | 88 | 60.7 Ų | 60.7 | 57% | 0.571 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -19.7 | -172.4 | -24.6 | 33.8 | 0 | 0 | 0 | 115.4 | L86 F96 | L86-P90 WeakPolarHBondContact O-CA 3.23Å; P90-F96 WeakPolarHBondContact O-CE2 3.42Å; P90-F96 WeakPolarHBondContact O-CZ 3.22Å |
| 91 | K | 85 | Confident | 91.2 | Very high | 174 Ų | 174 | 55.9 Ų | 55.9 | 76% | 0.757 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | 3.5 | 179.7 | -65.8 | -171.1 | 178.5 | -174.8 | 0 | 112.9 | N89 S93 | N89-K91 PolarHBondContact O-N 3.12Å; N89-K91 VanDerWaalsContact O-N 3.16Å; N89-K91 PolarHBondContact OD1-N 2.93Å; K91-S93 PolarHBondContact O-N 3.13Å; K91-S93 VanDerWaalsContact O-N 3.12Å |
| 92 | W | 89.2 | Confident | 91.2 | Very high | 54 Ų | 54 | 55.9 Ų | 55.9 | 21% | 0.205 | 26% | 0.255 | C | S | . | . | trans | -78.6 | 102.4 | -174.3 | -164.1 | 42 | 0 | 0 | 0 | 111.9 | H59 V60 S85 N89 R94 A95 F96 | H59-W92 HydrophobicContact CB-CE3 4.46Å; H59-W92 AromaticContact CD2-CD2 3.48Å; H59-W92 VanDerWaalsContact CD2-CD2 3.48Å; H59-W92 AromaticContact CD2-CE3 3.24Å; H59-W92 AromaticContact CD2-CG 3.97Å; H59-W92 AromaticContact CD2-CZ3 3.76Å; H59-W92 AromaticContact NE2-CD2 3.91Å; H59-W92 WeakPolarHBondContact O-CZ3 3.21Å; V60-W92 HydrophobicContact CB-CH2 4.06Å; V60-W92 HydrophobicContact CG1-CH2 4.14Å; V60-W92 HydrophobicContact CG2-CH2 3.86Å; V60-W92 HydrophobicContact CG2-CZ2 3.99Å; V60-W92 HydrophobicContact CG2-CZ3 4.49Å; S85-W92 VanDerWaalsContact OG-CZ3 3.24Å; S85-W92 WeakPolarHBondContact OG-CZ3 3.31Å; N89-W92 HydrophobicContact CB-CB 3.92Å; N89-W92 WeakPolarHBondContact O-CB 3.38Å; N89-W92 PolarHBondContact O-N 2.96Å; N89-W92 VanDerWaalsContact O-N 3.13Å; W92-R94 HydrophobicContact CD2-CB 4Å; W92-R94 HydrophobicContact CE3-CB 4.45Å; W92-R94 HydrophobicContact CH2-CB 4.07Å; W92-R94 HydrophobicContact CH2-CG 4.25Å; W92-R94 HydrophobicContact CZ2-CB 3.64Å; W92-R94 HydrophobicContact CZ2-CG 4.06Å; W92-R94 HydrophobicContact CZ3-CB 4.47Å; W92-R94 PolarHBondContact O-N 2.8Å; W92-R94 VanDerWaalsContact O-N 3.1Å; W92-A95 HydrophobicContact CB-CB 4.4Å; W92-A95 HydrophobicContact CD2-CB 4.37Å; W92-A95 HydrophobicContact CE3-CB 3.63Å; W92-A95 HydrophobicContact CZ3-CB 4.28Å; W92-A95 WeakPolarHBondContact O-CB 3.43Å; W92-A95 PolarHBondContact O-N 3.4Å; W92-F96 PolarHBondContact O-N 3.01Å | ||
| 93 | S | 89 | Confident | 91.2 | Very high | 21 Ų | 21 | 56.2 Ų | 56.2 | 15% | 0.147 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -55.6 | -31.4 | -176.2 | 60.4 | 0 | 0 | 0 | 0 | 113.9 | K91 F96 Y97 N126 | K91-S93 PolarHBondContact O-N 3.13Å; K91-S93 VanDerWaalsContact O-N 3.12Å; S93-F96 PolarHBondContact O-N 2.65Å; S93-Y97 PolarHBondContact O-N 3.26Å; S93-Y97 VanDerWaalsContact O-N 3.08Å; S93-N126 VanDerWaalsContact CB-ND2 3.3Å; S93-N126 WeakPolarHBondContact CB-ND2 3.26Å; S93-N126 PolarHBondContact OG-ND2 2.96Å; S93-N126 VanDerWaalsContact OG-ND2 3.08Å |
| 94 | R | 89.6 | Confident | 91.1 | Very high | 108 Ų | 108 | 54.1 Ų | 54.1 | 41% | 0.408 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.4 | -36.1 | 175.6 | -160 | 110.3 | 174.9 | 176.7 | -5.1 | 112.5 | W92 Y97 R98 | W92-R94 HydrophobicContact CD2-CB 4Å; W92-R94 HydrophobicContact CE3-CB 4.45Å; W92-R94 HydrophobicContact CH2-CB 4.07Å; W92-R94 HydrophobicContact CH2-CG 4.25Å; W92-R94 HydrophobicContact CZ2-CB 3.64Å; W92-R94 HydrophobicContact CZ2-CG 4.06Å; W92-R94 HydrophobicContact CZ3-CB 4.47Å; W92-R94 PolarHBondContact O-N 2.8Å; W92-R94 VanDerWaalsContact O-N 3.1Å; R94-Y97 WeakPolarHBondContact O-CB 3.5Å; R94-Y97 PolarHBondContact O-N 3.26Å; R94-R98 WeakPolarHBondContact O-CG 3.31Å; R94-R98 PolarHBondContact O-N 2.8Å |
| 95 | A | 91.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -70.1 | -38 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S85 L86 W92 Y97 R98 K99 | S85-A95 WeakPolarHBondContact OG-CB 3.24Å; L86-A95 HydrophobicContact CD2-CB 3.64Å; L86-A95 HydrophobicContact CG-CB 3.62Å; W92-A95 HydrophobicContact CB-CB 4.4Å; W92-A95 HydrophobicContact CD2-CB 4.37Å; W92-A95 HydrophobicContact CE3-CB 3.63Å; W92-A95 HydrophobicContact CZ3-CB 4.28Å; W92-A95 WeakPolarHBondContact O-CB 3.43Å; W92-A95 PolarHBondContact O-N 3.4Å; A95-Y97 VanDerWaalsContact C-N 3.31Å; A95-Y97 PolarHBondContact O-N 2.77Å; A95-R98 PolarHBondContact O-N 3.4Å; A95-K99 WeakPolarHBondContact O-CB 3.43Å; A95-K99 PolarHBondContact O-N 3.43Å |
| 96 | F | 93.3 | Very high | 90.7 | Very high | 30 Ų | 30 | 52.2 Ų | 52.2 | 13% | 0.132 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.4 | -42.9 | 168.7 | -72.5 | -75.7 | 0 | 0 | 0 | 111.5 | L86 P90 W92 S93 R98 K99 G100 T115 A118 G119 A122 L129 | L86-F96 HydrophobicContact CD1-CD1 3.98Å; L86-F96 HydrophobicContact CD1-CE1 4.12Å; L86-F96 HydrophobicContact CD1-CG 4.43Å; L86-F96 HydrophobicContact CD2-CD1 3.89Å; L86-F96 HydrophobicContact CD2-CD2 3.54Å; L86-F96 HydrophobicContact CD2-CE1 3.83Å; L86-F96 HydrophobicContact CD2-CE2 3.49Å; L86-F96 VanDerWaalsContact CD2-CE2 3.49Å; L86-F96 HydrophobicContact CD2-CG 3.75Å; L86-F96 HydrophobicContact CD2-CZ 3.63Å; P90-F96 WeakPolarHBondContact O-CE2 3.42Å; P90-F96 WeakPolarHBondContact O-CZ 3.22Å; W92-F96 PolarHBondContact O-N 3.01Å; S93-F96 PolarHBondContact O-N 2.65Å; F96-R98 VanDerWaalsContact C-N 3.35Å; F96-R98 PolarHBondContact O-N 2.97Å; F96-K99 PolarHBondContact O-N 3.44Å; F96-G100 PolarHBondContact O-N 3.33Å; F96-T115 HydrophobicContact CB-CG2 4.42Å; F96-T115 HydrophobicContact CD1-CG2 3.98Å; F96-T115 WeakPolarHBondContact CD1-O 3.24Å; F96-T115 WeakPolarHBondContact O-CG2 3.26Å; F96-A118 HydrophobicContact CD1-CB 4.21Å; F96-A118 HydrophobicContact CE1-CB 3.83Å; F96-G119 VanDerWaalsContact CG-CA 3.5Å; F96-A122 HydrophobicContact CE2-CB 4.28Å; F96-L129 HydrophobicContact CB-CD2 4.28Å |
| 97 | Y | 93.4 | Very high | 90.5 | Very high | 60 Ų | 60 | 53 Ų | 53 | 24% | 0.235 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.6 | -41.1 | 176.1 | 178.7 | -92.9 | 0 | 0 | 0 | 112.1 | S93 R94 A95 N101 F116 Q128 L129 A132 | S93-Y97 PolarHBondContact O-N 3.26Å; S93-Y97 VanDerWaalsContact O-N 3.08Å; R94-Y97 WeakPolarHBondContact O-CB 3.5Å; R94-Y97 PolarHBondContact O-N 3.26Å; A95-Y97 VanDerWaalsContact C-N 3.31Å; A95-Y97 PolarHBondContact O-N 2.77Å; Y97-N101 WeakPolarHBondContact CE1-ND2 2.99Å; Y97-N101 WeakPolarHBondContact O-CB 3.35Å; Y97-N101 PolarHBondContact O-N 3.23Å; Y97-N101 PolarHBondContact O-ND2 3.42Å; Y97-N101 PolarHBondContact OH-ND2 3.38Å; Y97-F116 HydrophobicContact CD2-CE1 4.38Å; Y97-Q128 HydrophobicContact CD2-CB 4.47Å; Y97-Q128 HydrophobicContact CE2-CB 4.41Å; Y97-L129 HydrophobicContact CD2-CD2 4.29Å; Y97-A132 HydrophobicContact CD2-CB 3.93Å; Y97-A132 HydrophobicContact CE2-CB 3.71Å |
| 98 | R | 93.4 | Very high | 90.2 | Very high | 46 Ų | 46 | 47.4 Ų | 47.4 | 17% | 0.174 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.5 | -49 | 175.4 | -66.7 | -52.9 | -174.5 | -164.8 | 5.8 | 112 | S63 A67 A82 R94 A95 F96 N101 A102 | S63-R98 PolarHBondContact O-NE 2.87Å; S63-R98 WeakPolarHBondContact OG-CG 3.4Å; S63-R98 PolarHBondContact OG-NE 2.7Å; A67-R98 VanDerWaalsContact CB-CZ 3.49Å; A82-R98 HydrophobicContact CB-CB 4.07Å; R94-R98 WeakPolarHBondContact O-CG 3.31Å; R94-R98 PolarHBondContact O-N 2.8Å; A95-R98 PolarHBondContact O-N 3.4Å; F96-R98 VanDerWaalsContact C-N 3.35Å; F96-R98 PolarHBondContact O-N 2.97Å; R98-N101 PolarHBondContact O-N 3.34Å; R98-A102 PolarHBondContact O-N 2.98Å |
| 99 | K | 93.7 | Very high | 90.1 | Very high | 44 Ų | 44 | 47.9 Ų | 47.9 | 19% | 0.191 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.8 | -46 | 179 | -177.8 | 176.9 | 177.7 | 167 | 0 | 111.1 | A82 E83 L86 A95 F96 N101 A102 L103 T115 | A82-K99 VanDerWaalsContact CB-CA 3.46Å; A82-K99 HydrophobicContact CB-CB 3.59Å; A82-K99 HydrophobicContact CB-CG 4.35Å; E83-K99 HydrophobicContact CG-CD 3.84Å; E83-K99 WeakPolarHBondContact OE1-CE 3.39Å; E83-K99 IonicContact OE1-NZ 3.88Å; E83-K99 PolarHBondContact OE1-NZ 2.79Å; L86-K99 HydrophobicContact CD1-CB 4.08Å; L86-K99 HydrophobicContact CD1-CD 3.55Å; L86-K99 HydrophobicContact CD1-CG 4.44Å; A95-K99 WeakPolarHBondContact O-CB 3.43Å; A95-K99 PolarHBondContact O-N 3.43Å; F96-K99 PolarHBondContact O-N 3.44Å; K99-N101 VanDerWaalsContact C-N 3.34Å; K99-N101 PolarHBondContact O-N 2.95Å; K99-A102 PolarHBondContact O-N 3.19Å; K99-L103 HydrophobicContact CG-CD1 4.02Å; K99-L103 WeakPolarHBondContact O-CB 3.49Å; K99-L103 WeakPolarHBondContact O-CG 3.08Å; K99-L103 PolarHBondContact O-N 2.56Å; K99-T115 HydrophobicContact CB-CG2 3.72Å; K99-T115 HydrophobicContact CD-CG2 3.84Å; K99-T115 HydrophobicContact CG-CG2 3.72Å |
| 100 | G | 92 | Very high | 90 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.2 | -41.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | F96 L103 K104 A112 | F96-G100 PolarHBondContact O-N 3.33Å; G100-L103 PolarHBondContact O-N 3Å; G100-K104 VanDerWaalsContact O-CB 3.27Å; G100-K104 WeakPolarHBondContact O-CB 3.31Å; G100-K104 PolarHBondContact O-N 3.03Å; G100-A112 WeakPolarHBondContact O-CB 3.49Å |
| 101 | N | 92.4 | Very high | 90 | Very high | 23 Ų | 23 | 49.2 Ų | 49.2 | 12% | 0.123 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69 | -38.9 | 174.7 | -83.8 | -33.5 | 0 | 0 | 0 | 113.4 | Y97 R98 K99 L103 K104 C105 | Y97-N101 WeakPolarHBondContact CE1-ND2 2.99Å; Y97-N101 WeakPolarHBondContact O-CB 3.35Å; Y97-N101 PolarHBondContact O-N 3.23Å; Y97-N101 PolarHBondContact O-ND2 3.42Å; Y97-N101 PolarHBondContact OH-ND2 3.38Å; R98-N101 PolarHBondContact O-N 3.34Å; K99-N101 VanDerWaalsContact C-N 3.34Å; K99-N101 PolarHBondContact O-N 2.95Å; N101-L103 VanDerWaalsContact C-N 3.33Å; N101-K104 PolarHBondContact O-N 3.34Å; N101-C105 WeakPolarHBondContact O-CB 3.47Å; N101-C105 PolarHBondContact O-N 2.88Å; N101-C105 PolarHBondContact O-SG 2.92Å |
| 102 | A | 92.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.9 | -45.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | C70 A78 L79 R98 K99 C105 S106 | C70-A102 WeakPolarHBondContact SG-CA 3.44Å; A78-A102 HydrophobicContact CB-CB 3.85Å; L79-A102 HydrophobicContact CB-CB 4.33Å; R98-A102 PolarHBondContact O-N 2.98Å; K99-A102 PolarHBondContact O-N 3.19Å; A102-C105 PolarHBondContact O-N 3.18Å; A102-S106 WeakPolarHBondContact O-CB 3.38Å; A102-S106 PolarHBondContact O-N 2.63Å; A102-S106 PolarHBondContact O-OG 3.21Å |
| 103 | L | 92.3 | Very high | 90.4 | Very high | 7 Ų | 7 | 38.5 Ų | 38.5 | 4% | 0.037 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.6 | -39.3 | 174.3 | -75 | 165.4 | 0 | 0 | 0 | 112.9 | L79 K99 G100 N101 S106 G107 S108 K111 A112 T115 | L79-L103 HydrophobicContact CD1-CD2 3.27Å; L79-L103 HydrophobicContact CD1-CG 3.7Å; K99-L103 HydrophobicContact CG-CD1 4.02Å; K99-L103 WeakPolarHBondContact O-CB 3.49Å; K99-L103 WeakPolarHBondContact O-CG 3.08Å; K99-L103 PolarHBondContact O-N 2.56Å; G100-L103 PolarHBondContact O-N 3Å; N101-L103 VanDerWaalsContact C-N 3.33Å; L103-S106 WeakPolarHBondContact CA-OG 3.46Å; L103-S106 PolarHBondContact O-N 3.44Å; L103-S106 PolarHBondContact O-OG 2.89Å; L103-G107 PolarHBondContact O-N 3.05Å; L103-S108 CarbonylContact O-C 3.38Å; L103-S108 WeakPolarHBondContact O-CA 2.77Å; L103-S108 PolarHBondContact O-N 3.18Å; L103-K111 HydrophobicContact CD1-CB 3.97Å; L103-K111 HydrophobicContact CD2-CB 3.88Å; L103-K111 HydrophobicContact CD2-CD 4.32Å; L103-K111 HydrophobicContact CG-CB 4.44Å; L103-A112 HydrophobicContact CB-CB 3.72Å; L103-T115 VanDerWaalsContact CD1-OG1 3.27Å; L103-T115 WeakPolarHBondContact CD1-OG1 3.24Å |
| 104 | K | 90.8 | Very high | 90.5 | Very high | 37 Ų | 37 | 38.8 Ų | 38.8 | 16% | 0.161 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62 | -46 | 175.8 | -168.8 | 179.4 | 83.8 | 177 | 0 | 110.4 | G100 N101 G107 W109 A112 E135 C136 | G100-K104 VanDerWaalsContact O-CB 3.27Å; G100-K104 WeakPolarHBondContact O-CB 3.31Å; G100-K104 PolarHBondContact O-N 3.03Å; N101-K104 PolarHBondContact O-N 3.34Å; K104-G107 PolarHBondContact O-N 3Å; K104-W109 HydrophobicContact CD-CZ3 4.1Å; K104-W109 HydrophobicContact CG-CE3 3.68Å; K104-W109 HydrophobicContact CG-CH2 4.27Å; K104-W109 HydrophobicContact CG-CZ3 3.3Å; K104-A112 HydrophobicContact CB-CB 4.12Å; K104-E135 IonicContact NZ-OE2 2.8Å; K104-C136 HydrophobicContact CD-CB 4.01Å |
| 105 | C | 87.9 | Confident | 90.7 | Very high | 58 Ų | 58 | 34.2 Ų | 34.2 | 39% | 0.392 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -73 | -27.3 | 179.9 | -66.7 | 0 | 0 | 0 | 0 | 113.4 | Y75 N101 A102 G107 | Y75-C105 HydrophobicContact CD1-CB 3.55Å; Y75-C105 HydrophobicContact CE1-CB 3.34Å; Y75-C105 WeakPolarHBondContact CE2-O 3.48Å; Y75-C105 HydrophobicContact CG-CB 4.35Å; N101-C105 WeakPolarHBondContact O-CB 3.47Å; N101-C105 PolarHBondContact O-N 2.88Å; N101-C105 PolarHBondContact O-SG 2.92Å; A102-C105 PolarHBondContact O-N 3.18Å; C105-G107 PolarHBondContact O-N 3.47Å |
| 106 | S | 88.5 | Confident | 90.8 | Very high | 50 Ų | 50 | 34.2 Ų | 34.2 | 35% | 0.35 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -4 | 172.2 | 73.3 | 0 | 0 | 0 | 0 | 113.9 | A102 L103 S108 | A102-S106 WeakPolarHBondContact O-CB 3.38Å; A102-S106 PolarHBondContact O-N 2.63Å; A102-S106 PolarHBondContact O-OG 3.21Å; L103-S106 WeakPolarHBondContact CA-OG 3.46Å; L103-S106 PolarHBondContact O-N 3.44Å; L103-S106 PolarHBondContact O-OG 2.89Å; S106-S108 VanDerWaalsContact C-N 3.31Å; S106-S108 PolarHBondContact OG-OG 3.32Å |
| 107 | G | 86.1 | Confident | 90.7 | Very high | 36 Ų | 36 | 32.9 Ų | 32.9 | 37% | 0.371 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | 4.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | L103 K104 C105 W109 | L103-G107 PolarHBondContact O-N 3.05Å; K104-G107 PolarHBondContact O-N 3Å; C105-G107 PolarHBondContact O-N 3.47Å; G107-W109 PolarHBondContact O-N 3.39Å; G107-W109 PolarHBondContact O-NE1 3.45Å |
| 108 | S | 86.8 | Confident | 90.5 | Very high | 40 Ų | 40 | 31.4 Ų | 31.4 | 28% | 0.28 | 17% | 0.173 | S | C | . | . | trans | -83.6 | 60.8 | 176 | -64.8 | 0 | 0 | 0 | 0 | 111.7 | L103 S106 Q110 K111 A112 | L103-S108 CarbonylContact O-C 3.38Å; L103-S108 WeakPolarHBondContact O-CA 2.77Å; L103-S108 PolarHBondContact O-N 3.18Å; S106-S108 VanDerWaalsContact C-N 3.31Å; S106-S108 PolarHBondContact OG-OG 3.32Å; S108-Q110 PolarHBondContact O-N 3.49Å; S108-K111 PolarHBondContact O-N 2.89Å; S108-A112 PolarHBondContact O-N 3.39Å | ||
| 109 | W | 88.2 | Confident | 90.4 | Very high | 73 Ų | 73 | 29.2 Ų | 29.2 | 28% | 0.277 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -55.8 | -42.3 | -171.3 | -52.2 | 101.6 | 0 | 0 | 0 | 114 | K104 G107 A112 L113 C140 | K104-W109 HydrophobicContact CD-CZ3 4.1Å; K104-W109 HydrophobicContact CG-CE3 3.68Å; K104-W109 HydrophobicContact CG-CH2 4.27Å; K104-W109 HydrophobicContact CG-CZ3 3.3Å; G107-W109 PolarHBondContact O-N 3.39Å; G107-W109 PolarHBondContact O-NE1 3.45Å; W109-A112 WeakPolarHBondContact O-CB 3.12Å; W109-A112 PolarHBondContact O-N 3.45Å; W109-L113 WeakPolarHBondContact O-CG 3.32Å; W109-L113 PolarHBondContact O-N 3.09Å; W109-C140 HydrophobicContact CB-CB 4.08Å |
| 110 | Q | 86.6 | Confident | 90.3 | Very high | 52 Ų | 52 | 27.1 Ų | 27.1 | 24% | 0.243 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.5 | -47.6 | -178.7 | -59.2 | 88.3 | -21.3 | 0 | 0 | 111.2 | S108 A112 L113 V114 L173 A178 E181 | S108-Q110 PolarHBondContact O-N 3.49Å; Q110-A112 VanDerWaalsContact C-N 3.28Å; Q110-A112 PolarHBondContact O-N 3.18Å; Q110-L113 WeakPolarHBondContact O-CB 3.41Å; Q110-L113 PolarHBondContact O-N 3.41Å; Q110-V114 WeakPolarHBondContact O-CG2 3.25Å; Q110-V114 PolarHBondContact O-N 3Å; Q110-V114 VanDerWaalsContact O-N 3.08Å; Q110-L173 HydrophobicContact CB-CD2 4.38Å; Q110-L173 HydrophobicContact CG-CD2 4.09Å; Q110-A178 HydrophobicContact CG-CB 4.08Å; Q110-E181 HydrophobicContact CB-CB 4.16Å; Q110-E181 HydrophobicContact CB-CG 3.73Å |
| 111 | K | 88.1 | Confident | 90.1 | Very high | 121 Ų | 121 | 27.8 Ų | 27.8 | 53% | 0.526 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -63.3 | -34 | 175.6 | -65.9 | -177.5 | 180 | 177.6 | 0 | 112.2 | L103 S108 V114 T115 | L103-K111 HydrophobicContact CD1-CB 3.97Å; L103-K111 HydrophobicContact CD2-CB 3.88Å; L103-K111 HydrophobicContact CD2-CD 4.32Å; L103-K111 HydrophobicContact CG-CB 4.44Å; S108-K111 PolarHBondContact O-N 2.89Å; K111-V114 PolarHBondContact O-N 3.18Å; K111-T115 PolarHBondContact O-N 3.48Å; K111-T115 PolarHBondContact O-OG1 3.12Å |
| 112 | A | 91.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.4 | -45.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | G100 L103 K104 S108 W109 Q110 V114 T115 F116 | G100-A112 WeakPolarHBondContact O-CB 3.49Å; L103-A112 HydrophobicContact CB-CB 3.72Å; K104-A112 HydrophobicContact CB-CB 4.12Å; S108-A112 PolarHBondContact O-N 3.39Å; W109-A112 WeakPolarHBondContact O-CB 3.12Å; W109-A112 PolarHBondContact O-N 3.45Å; Q110-A112 VanDerWaalsContact C-N 3.28Å; Q110-A112 PolarHBondContact O-N 3.18Å; A112-V114 PolarHBondContact O-N 3.24Å; A112-T115 PolarHBondContact O-N 3.39Å; A112-T115 VanDerWaalsContact O-N 3.15Å; A112-F116 HydrophobicContact CB-CE2 4.16Å; A112-F116 WeakPolarHBondContact O-CD2 3.19Å; A112-F116 WeakPolarHBondContact O-CG 3.35Å; A112-F116 PolarHBondContact O-N 3.13Å |
| 113 | L | 91.6 | Very high | 89.6 | Confident | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.2 | -44.6 | 176.3 | -70.3 | 170 | 0 | 0 | 0 | 112.3 | W109 Q110 T115 F116 S117 C136 A137 L142 I169 L173 | W109-L113 WeakPolarHBondContact O-CG 3.32Å; W109-L113 PolarHBondContact O-N 3.09Å; Q110-L113 WeakPolarHBondContact O-CB 3.41Å; Q110-L113 PolarHBondContact O-N 3.41Å; L113-T115 VanDerWaalsContact C-N 3.27Å; L113-T115 PolarHBondContact O-N 3.28Å; L113-F116 PolarHBondContact O-N 3.37Å; L113-S117 WeakPolarHBondContact O-CB 3.39Å; L113-S117 PolarHBondContact O-N 3.09Å; L113-S117 PolarHBondContact O-OG 3.24Å; L113-C136 HydrophobicContact CD2-CB 3.85Å; L113-A137 HydrophobicContact CD2-CB 3.91Å; L113-L142 HydrophobicContact CD1-CD1 3.86Å; L113-I169 HydrophobicContact CB-CG2 4.2Å; L113-I169 HydrophobicContact CD1-CG2 4.08Å; L113-I169 HydrophobicContact CD2-CD1 4.36Å; L113-I169 HydrophobicContact CD2-CG2 4.02Å; L113-I169 HydrophobicContact CG-CG2 4.33Å; L113-L173 HydrophobicContact CB-CD1 4.43Å; L113-L173 HydrophobicContact CD1-CD1 4.36Å; L113-L173 HydrophobicContact CD1-CD2 4.24Å; L113-L173 HydrophobicContact CD1-CG 4.48Å |
| 114 | V | 91.2 | Very high | 89.2 | Confident | 27 Ų | 27 | 33.9 Ų | 33.9 | 16% | 0.164 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.4 | -42 | 173.7 | 174.6 | 0 | 0 | 0 | 0 | 111.5 | Q110 K111 A112 S117 A118 E181 N184 V185 | Q110-V114 WeakPolarHBondContact O-CG2 3.25Å; Q110-V114 PolarHBondContact O-N 3Å; Q110-V114 VanDerWaalsContact O-N 3.08Å; K111-V114 PolarHBondContact O-N 3.18Å; A112-V114 PolarHBondContact O-N 3.24Å; V114-S117 WeakPolarHBondContact CA-OG 3.47Å; V114-S117 PolarHBondContact O-N 3.48Å; V114-S117 PolarHBondContact O-OG 3.29Å; V114-A118 WeakPolarHBondContact O-CB 3.25Å; V114-A118 PolarHBondContact O-N 3.35Å; V114-E181 HydrophobicContact CG2-CB 3.47Å; V114-E181 VanDerWaalsContact CG2-CB 3.47Å; V114-E181 HydrophobicContact CG2-CG 3.69Å; V114-N184 HydrophobicContact CG1-CB 3.64Å; V114-N184 HydrophobicContact CG2-CB 4.22Å; V114-V185 HydrophobicContact CB-CG2 4.45Å; V114-V185 HydrophobicContact CG2-CG2 3.94Å |
| 115 | T | 92.1 | Very high | 89 | Confident | 12 Ų | 12 | 43 Ų | 43 | 7% | 0.074 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.3 | -41.1 | -178.7 | -54.7 | 0 | 0 | 0 | 0 | 111.4 | F96 K99 L103 K111 A112 L113 G119 | F96-T115 HydrophobicContact CB-CG2 4.42Å; F96-T115 HydrophobicContact CD1-CG2 3.98Å; F96-T115 WeakPolarHBondContact CD1-O 3.24Å; F96-T115 WeakPolarHBondContact O-CG2 3.26Å; K99-T115 HydrophobicContact CB-CG2 3.72Å; K99-T115 HydrophobicContact CD-CG2 3.84Å; K99-T115 HydrophobicContact CG-CG2 3.72Å; L103-T115 VanDerWaalsContact CD1-OG1 3.27Å; L103-T115 WeakPolarHBondContact CD1-OG1 3.24Å; K111-T115 PolarHBondContact O-N 3.48Å; K111-T115 PolarHBondContact O-OG1 3.12Å; A112-T115 PolarHBondContact O-N 3.39Å; A112-T115 VanDerWaalsContact O-N 3.15Å; L113-T115 VanDerWaalsContact C-N 3.27Å; L113-T115 PolarHBondContact O-N 3.28Å; T115-G119 PolarHBondContact O-N 3.41Å |
| 116 | F | 93.2 | Very high | 89 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.7 | -40 | 175.5 | -66.4 | -52.3 | 0 | 0 | 0 | 111.9 | Y97 A112 L113 G119 L120 L129 A132 A133 C136 | Y97-F116 HydrophobicContact CD2-CE1 4.38Å; A112-F116 HydrophobicContact CB-CE2 4.16Å; A112-F116 WeakPolarHBondContact O-CD2 3.19Å; A112-F116 WeakPolarHBondContact O-CG 3.35Å; A112-F116 PolarHBondContact O-N 3.13Å; L113-F116 PolarHBondContact O-N 3.37Å; F116-G119 PolarHBondContact O-N 2.99Å; F116-L120 WeakPolarHBondContact O-CG 3.24Å; F116-L120 PolarHBondContact O-N 3.03Å; F116-L129 HydrophobicContact CD1-CD2 3.91Å; F116-A132 HydrophobicContact CD1-CB 4Å; F116-A132 HydrophobicContact CE1-CB 3.62Å; F116-A132 HydrophobicContact CE2-CB 4.42Å; F116-A132 HydrophobicContact CZ-CB 3.86Å; F116-A133 HydrophobicContact CB-CB 3.85Å; F116-A133 HydrophobicContact CG-CB 4.47Å; F116-C136 HydrophobicContact CD2-CB 3.94Å; F116-C136 HydrophobicContact CE2-CB 3.69Å |
| 117 | S | 91.7 | Very high | 89 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.014 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.3 | -42.2 | 176.3 | 62.8 | 0 | 0 | 0 | 0 | 112.2 | L113 V114 G119 L120 A121 V185 | L113-S117 WeakPolarHBondContact O-CB 3.39Å; L113-S117 PolarHBondContact O-N 3.09Å; L113-S117 PolarHBondContact O-OG 3.24Å; V114-S117 WeakPolarHBondContact CA-OG 3.47Å; V114-S117 PolarHBondContact O-N 3.48Å; V114-S117 PolarHBondContact O-OG 3.29Å; S117-G119 VanDerWaalsContact C-N 3.3Å; S117-G119 PolarHBondContact O-N 3.2Å; S117-L120 CarbonylContact O-C 3.56Å; S117-L120 WeakPolarHBondContact O-CB 3.43Å; S117-L120 PolarHBondContact O-N 3.09Å; S117-L120 VanDerWaalsContact O-N 3.13Å; S117-A121 PolarHBondContact O-N 3.3Å; S117-V185 WeakPolarHBondContact OG-CG2 3.42Å |
| 118 | A | 90.5 | Very high | 89.2 | Confident | 29 Ų | 29 | 50 Ų | 50 | 24% | 0.24 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.3 | -39.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | F96 V114 L120 A121 A122 | F96-A118 HydrophobicContact CD1-CB 4.21Å; F96-A118 HydrophobicContact CE1-CB 3.83Å; V114-A118 WeakPolarHBondContact O-CB 3.25Å; V114-A118 PolarHBondContact O-N 3.35Å; A118-L120 VanDerWaalsContact C-N 3.35Å; A118-L120 PolarHBondContact O-N 3.18Å; A118-A121 PolarHBondContact O-N 3.32Å; A118-A122 PolarHBondContact O-N 3.23Å |
| 119 | G | 90.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.4 | -39.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | F96 T115 F116 S117 A122 D123 | F96-G119 VanDerWaalsContact CG-CA 3.5Å; T115-G119 PolarHBondContact O-N 3.41Å; F116-G119 PolarHBondContact O-N 2.99Å; S117-G119 VanDerWaalsContact C-N 3.3Å; S117-G119 PolarHBondContact O-N 3.2Å; G119-A122 PolarHBondContact O-N 3.29Å; G119-D123 PolarHBondContact O-N 3.47Å |
| 120 | L | 90.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -71.3 | -28.8 | 175.4 | -74.8 | 168.1 | 0 | 0 | 0 | 112.8 | F116 S117 A118 D123 P124 L129 L130 A133 A162 V166 I192 | F116-L120 WeakPolarHBondContact O-CG 3.24Å; F116-L120 PolarHBondContact O-N 3.03Å; S117-L120 CarbonylContact O-C 3.56Å; S117-L120 WeakPolarHBondContact O-CB 3.43Å; S117-L120 PolarHBondContact O-N 3.09Å; S117-L120 VanDerWaalsContact O-N 3.13Å; A118-L120 VanDerWaalsContact C-N 3.35Å; A118-L120 PolarHBondContact O-N 3.18Å; L120-D123 CarbonylContact O-C 3.33Å; L120-P124 WeakPolarHBondContact O-CA 3.44Å; L120-P124 WeakPolarHBondContact O-CD 3.38Å; L120-P124 VanDerWaalsContact O-CG 3.31Å; L120-P124 WeakPolarHBondContact O-CG 3.46Å; L120-L129 HydrophobicContact CD2-CB 3.82Å; L120-L129 HydrophobicContact CG-CB 4.01Å; L120-L130 HydrophobicContact CD1-CD1 4.05Å; L120-L130 HydrophobicContact CD2-CB 4.01Å; L120-L130 HydrophobicContact CD2-CD1 4.33Å; L120-A133 HydrophobicContact CD1-CB 4.05Å; L120-A162 HydrophobicContact CD2-CB 4.24Å; L120-V166 HydrophobicContact CB-CG2 4.14Å; L120-V166 HydrophobicContact CD1-CG2 3.64Å; L120-I192 HydrophobicContact CB-CD1 4.44Å |
| 121 | A | 88 | Confident | 89.6 | Confident | 14 Ų | 14 | 46.9 Ų | 46.9 | 12% | 0.116 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.5 | -39.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | S117 A118 Q191 I192 | S117-A121 PolarHBondContact O-N 3.3Å; A118-A121 PolarHBondContact O-N 3.32Å; A121-Q191 HydrophobicContact CB-CB 4.1Å; A121-I192 HydrophobicContact CB-CG1 4.47Å |
| 122 | A | 87 | Confident | 89.7 | Confident | 50 Ų | 50 | 41.1 Ų | 41.1 | 41% | 0.413 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -71.3 | -38.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | F96 A118 G119 | F96-A122 HydrophobicContact CE2-CB 4.28Å; A118-A122 PolarHBondContact O-N 3.23Å; G119-A122 PolarHBondContact O-N 3.29Å |
| 123 | D | 87.4 | Confident | 89.6 | Confident | 55 Ų | 55 | 41.2 Ų | 41.2 | 29% | 0.294 | 21% | 0.212 | S | C | . | . | trans | -139.1 | 85.6 | 176.5 | -177 | 5 | 0 | 0 | 0 | 111.2 | G119 L120 R125 N126 | G119-D123 PolarHBondContact O-N 3.47Å; L120-D123 CarbonylContact O-C 3.33Å; D123-R125 PolarHBondContact O-N 3.19Å; D123-R125 VanDerWaalsContact O-N 3.08Å; D123-R125 PolarHBondContact OD1-N 2.76Å; D123-N126 HydrophobicContact CB-CB 4.24Å; D123-N126 WeakPolarHBondContact O-CB 3.42Å; D123-N126 PolarHBondContact O-N 3.49Å; D123-N126 VanDerWaalsContact O-N 3.12Å | ||
| 124 | P | 85 | Confident | 89.4 | Confident | 54 Ų | 54 | 41.7 Ų | 41.7 | 35% | 0.351 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -16.5 | -176.2 | -23.2 | 32.3 | 0 | 0 | 0 | 114.8 | L120 A162 I192 | L120-P124 WeakPolarHBondContact O-CA 3.44Å; L120-P124 WeakPolarHBondContact O-CD 3.38Å; L120-P124 VanDerWaalsContact O-CG 3.31Å; L120-P124 WeakPolarHBondContact O-CG 3.46Å; P124-A162 HydrophobicContact CB-CB 4.33Å; P124-A162 WeakPolarHBondContact O-CB 3.25Å; P124-I192 HydrophobicContact CB-CG2 4.01Å; P124-I192 HydrophobicContact CG-CG1 4.36Å; P124-I192 HydrophobicContact CG-CG2 4.2Å |
| 125 | R | 85.8 | Confident | 89.2 | Confident | 229 Ų | 229 | 45.1 Ų | 45.1 | 86% | 0.864 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -3.1 | -178.8 | -63.9 | -177.3 | -178.8 | -178.6 | 1.5 | 112.5 | D123 K127 | D123-R125 PolarHBondContact O-N 3.19Å; D123-R125 VanDerWaalsContact O-N 3.08Å; D123-R125 PolarHBondContact OD1-N 2.76Å; R125-K127 PolarHBondContact O-N 2.66Å |
| 126 | N | 89 | Confident | 89.1 | Confident | 24 Ų | 24 | 44.5 Ų | 44.5 | 13% | 0.128 | 23% | 0.226 | C | C | . | . | trans | -72.2 | 99.8 | -177.9 | -167.7 | -33.8 | 0 | 0 | 0 | 111.9 | S93 D123 Q128 L129 L130 | S93-N126 VanDerWaalsContact CB-ND2 3.3Å; S93-N126 WeakPolarHBondContact CB-ND2 3.26Å; S93-N126 PolarHBondContact OG-ND2 2.96Å; S93-N126 VanDerWaalsContact OG-ND2 3.08Å; D123-N126 HydrophobicContact CB-CB 4.24Å; D123-N126 WeakPolarHBondContact O-CB 3.42Å; D123-N126 PolarHBondContact O-N 3.49Å; D123-N126 VanDerWaalsContact O-N 3.12Å; N126-Q128 VanDerWaalsContact C-N 3.27Å; N126-Q128 PolarHBondContact O-N 2.75Å; N126-Q128 WeakPolarHBondContact OD1-CB 3.48Å; N126-Q128 PolarHBondContact OD1-N 3.41Å; N126-L129 HydrophobicContact CB-CB 4.16Å; N126-L129 HydrophobicContact CB-CD1 3.98Å; N126-L129 HydrophobicContact CB-CG 4.31Å; N126-L129 PolarHBondContact O-N 2.86Å; N126-L129 PolarHBondContact OD1-N 3.48Å; N126-L130 PolarHBondContact O-N 2.86Å; N126-L130 VanDerWaalsContact O-N 3.1Å | ||
| 127 | K | 87.6 | Confident | 88.8 | Confident | 172 Ų | 172 | 44.6 Ų | 44.6 | 75% | 0.748 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -58.5 | -36 | 177.7 | -64.3 | -177.9 | -177.7 | 176.6 | 0 | 113 | R125 L130 T131 | R125-K127 PolarHBondContact O-N 2.66Å; K127-L130 PolarHBondContact O-N 2.93Å; K127-T131 WeakPolarHBondContact O-CG2 3.46Å; K127-T131 PolarHBondContact O-N 2.88Å; K127-T131 PolarHBondContact O-OG1 3.43Å |
| 128 | Q | 89.3 | Confident | 88.4 | Confident | 94 Ų | 94 | 50.7 Ų | 50.7 | 44% | 0.439 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -68.8 | -38.9 | -177.7 | -65.2 | -176.6 | -19.4 | 0 | 0 | 111.9 | Y97 N126 T131 A132 | Y97-Q128 HydrophobicContact CD2-CB 4.47Å; Y97-Q128 HydrophobicContact CE2-CB 4.41Å; N126-Q128 VanDerWaalsContact C-N 3.27Å; N126-Q128 PolarHBondContact O-N 2.75Å; N126-Q128 WeakPolarHBondContact OD1-CB 3.48Å; N126-Q128 PolarHBondContact OD1-N 3.41Å; Q128-T131 WeakPolarHBondContact CA-OG1 3.27Å; Q128-T131 PolarHBondContact O-OG1 3.07Å; Q128-A132 WeakPolarHBondContact O-CB 3.45Å; Q128-A132 PolarHBondContact O-N 2.86Å |
| 129 | L | 90.7 | Very high | 88 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.5 | -40.7 | 174 | -77.5 | 173.1 | 0 | 0 | 0 | 111.3 | F96 Y97 F116 L120 N126 A132 A133 | F96-L129 HydrophobicContact CB-CD2 4.28Å; Y97-L129 HydrophobicContact CD2-CD2 4.29Å; F116-L129 HydrophobicContact CD1-CD2 3.91Å; L120-L129 HydrophobicContact CD2-CB 3.82Å; L120-L129 HydrophobicContact CG-CB 4.01Å; N126-L129 HydrophobicContact CB-CB 4.16Å; N126-L129 HydrophobicContact CB-CD1 3.98Å; N126-L129 HydrophobicContact CB-CG 4.31Å; N126-L129 PolarHBondContact O-N 2.86Å; N126-L129 PolarHBondContact OD1-N 3.48Å; L129-A132 PolarHBondContact O-N 2.7Å; L129-A133 WeakPolarHBondContact O-CB 3.47Å; L129-A133 PolarHBondContact O-N 3.26Å |
| 130 | L | 90.1 | Very high | 87.3 | Confident | 24 Ų | 24 | 52.7 Ų | 52.7 | 13% | 0.126 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.5 | -47.5 | 179.2 | -171.6 | 65.7 | 0 | 0 | 0 | 111.2 | L120 N126 K127 A132 A133 V134 A162 V165 | L120-L130 HydrophobicContact CD1-CD1 4.05Å; L120-L130 HydrophobicContact CD2-CB 4.01Å; L120-L130 HydrophobicContact CD2-CD1 4.33Å; N126-L130 PolarHBondContact O-N 2.86Å; N126-L130 VanDerWaalsContact O-N 3.1Å; K127-L130 PolarHBondContact O-N 2.93Å; L130-A132 VanDerWaalsContact C-N 3.33Å; L130-A132 PolarHBondContact O-N 2.97Å; L130-A133 PolarHBondContact O-N 3.35Å; L130-V134 WeakPolarHBondContact O-CG2 3.42Å; L130-V134 PolarHBondContact O-N 3.04Å; L130-A162 HydrophobicContact CD1-CB 4.37Å; L130-V165 HydrophobicContact CD1-CB 3.87Å; L130-V165 HydrophobicContact CD1-CG1 3.92Å; L130-V165 HydrophobicContact CD1-CG2 4.05Å |
| 131 | T | 90.1 | Very high | 86.4 | Confident | 75 Ų | 75 | 56.6 Ų | 56.6 | 46% | 0.46 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.7 | -41 | 175.6 | 53.7 | 0 | 0 | 0 | 0 | 111.2 | K127 Q128 V134 E135 | K127-T131 WeakPolarHBondContact O-CG2 3.46Å; K127-T131 PolarHBondContact O-N 2.88Å; K127-T131 PolarHBondContact O-OG1 3.43Å; Q128-T131 WeakPolarHBondContact CA-OG1 3.27Å; Q128-T131 PolarHBondContact O-OG1 3.07Å; T131-V134 PolarHBondContact O-N 2.75Å; T131-E135 WeakPolarHBondContact O-CB 3.22Å; T131-E135 VanDerWaalsContact O-CG 3.27Å; T131-E135 WeakPolarHBondContact O-CG 3.37Å; T131-E135 PolarHBondContact O-N 3.3Å |
| 132 | A | 89.8 | Confident | 85.7 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.008 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.2 | -38.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y97 F116 Q128 L129 L130 C136 | Y97-A132 HydrophobicContact CD2-CB 3.93Å; Y97-A132 HydrophobicContact CE2-CB 3.71Å; F116-A132 HydrophobicContact CD1-CB 4Å; F116-A132 HydrophobicContact CE1-CB 3.62Å; F116-A132 HydrophobicContact CE2-CB 4.42Å; F116-A132 HydrophobicContact CZ-CB 3.86Å; Q128-A132 WeakPolarHBondContact O-CB 3.45Å; Q128-A132 PolarHBondContact O-N 2.86Å; L129-A132 PolarHBondContact O-N 2.7Å; L130-A132 VanDerWaalsContact C-N 3.33Å; L130-A132 PolarHBondContact O-N 2.97Å; A132-C136 WeakPolarHBondContact O-CB 3.5Å; A132-C136 PolarHBondContact O-N 3.06Å |
| 133 | A | 89.7 | Confident | 85.1 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.008 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.1 | -46 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111 | F116 L120 L129 L130 C136 A137 I169 | F116-A133 HydrophobicContact CB-CB 3.85Å; F116-A133 HydrophobicContact CG-CB 4.47Å; L120-A133 HydrophobicContact CD1-CB 4.05Å; L129-A133 WeakPolarHBondContact O-CB 3.47Å; L129-A133 PolarHBondContact O-N 3.26Å; L130-A133 PolarHBondContact O-N 3.35Å; A133-C136 PolarHBondContact O-N 3.3Å; A133-A137 WeakPolarHBondContact O-CB 3.29Å; A133-A137 PolarHBondContact O-N 3.46Å; A133-I169 HydrophobicContact CB-CD1 4.11Å |
| 134 | V | 88.2 | Confident | 84.4 | Confident | 12 Ų | 12 | 65 Ų | 65 | 7% | 0.073 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.8 | -45.4 | 177.6 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | L130 T131 C136 A137 R138 F146 Y150 V165 | L130-V134 WeakPolarHBondContact O-CG2 3.42Å; L130-V134 PolarHBondContact O-N 3.04Å; T131-V134 PolarHBondContact O-N 2.75Å; V134-C136 VanDerWaalsContact C-N 3.34Å; V134-C136 PolarHBondContact O-N 3.22Å; V134-A137 PolarHBondContact O-N 2.84Å; V134-R138 WeakPolarHBondContact O-CB 3.41Å; V134-R138 VanDerWaalsContact O-CG 3.28Å; V134-R138 WeakPolarHBondContact O-CG 3.28Å; V134-R138 PolarHBondContact O-N 2.97Å; V134-F146 HydrophobicContact CG1-CE1 4.43Å; V134-Y150 HydrophobicContact CB-CE2 4.29Å; V134-Y150 HydrophobicContact CG1-CD2 4.12Å; V134-Y150 HydrophobicContact CG1-CE1 4.33Å; V134-Y150 HydrophobicContact CG1-CE2 3.6Å; V134-Y150 HydrophobicContact CG2-CD2 4.3Å; V134-Y150 HydrophobicContact CG2-CE2 3.6Å; V134-V165 HydrophobicContact CG2-CG1 3.71Å |
| 135 | E | 87 | Confident | 84 | Confident | 99 Ų | 99 | 68 Ų | 68 | 46% | 0.463 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.3 | -45.1 | 175 | -76.5 | 172.6 | -166.6 | 0 | 0 | 111.2 | K104 T131 A137 R138 S139 | K104-E135 IonicContact NZ-OE2 2.8Å; T131-E135 WeakPolarHBondContact O-CB 3.22Å; T131-E135 VanDerWaalsContact O-CG 3.27Å; T131-E135 WeakPolarHBondContact O-CG 3.37Å; T131-E135 PolarHBondContact O-N 3.3Å; E135-A137 VanDerWaalsContact C-N 3.34Å; E135-A137 PolarHBondContact O-N 3.15Å; E135-R138 PolarHBondContact O-N 3.39Å; E135-S139 PolarHBondContact O-N 3.34Å; E135-S139 PolarHBondContact O-OG 3.42Å; E135-S139 VanDerWaalsContact O-OG 3.13Å |
| 136 | C | 89.7 | Confident | 83.9 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 176.8 | -168.9 | 0 | 0 | 0 | 0 | 111.5 | K104 L113 F116 A132 A133 V134 R138 S139 C140 | K104-C136 HydrophobicContact CD-CB 4.01Å; L113-C136 HydrophobicContact CD2-CB 3.85Å; F116-C136 HydrophobicContact CD2-CB 3.94Å; F116-C136 HydrophobicContact CE2-CB 3.69Å; A132-C136 WeakPolarHBondContact O-CB 3.5Å; A132-C136 PolarHBondContact O-N 3.06Å; A133-C136 PolarHBondContact O-N 3.3Å; V134-C136 VanDerWaalsContact C-N 3.34Å; V134-C136 PolarHBondContact O-N 3.22Å; C136-R138 VanDerWaalsContact C-N 3.32Å; C136-R138 PolarHBondContact O-N 2.87Å; C136-S139 PolarHBondContact O-N 3.46Å; C136-C140 VanDerWaalsContact O-CB 3.24Å; C136-C140 WeakPolarHBondContact O-CB 3.24Å; C136-C140 PolarHBondContact O-N 2.73Å |
| 137 | A | 85.9 | Confident | 83.4 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.008 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.3 | -32.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L113 A133 V134 E135 F146 I169 | L113-A137 HydrophobicContact CD2-CB 3.91Å; A133-A137 WeakPolarHBondContact O-CB 3.29Å; A133-A137 PolarHBondContact O-N 3.46Å; V134-A137 PolarHBondContact O-N 2.84Å; E135-A137 VanDerWaalsContact C-N 3.34Å; E135-A137 PolarHBondContact O-N 3.15Å; A137-F146 HydrophobicContact CB-CD1 3.51Å; A137-F146 HydrophobicContact CB-CD2 4.38Å; A137-F146 HydrophobicContact CB-CE1 3.48Å; A137-F146 VanDerWaalsContact CB-CE1 3.48Å; A137-F146 HydrophobicContact CB-CE2 4.36Å; A137-F146 HydrophobicContact CB-CG 3.98Å; A137-F146 HydrophobicContact CB-CZ 3.93Å; A137-I169 HydrophobicContact CB-CD1 4.37Å; A137-I169 HydrophobicContact CB-CG1 4.19Å |
| 138 | R | 84.2 | Confident | 83.1 | Confident | 131 Ų | 131 | 51.5 Ų | 51.5 | 49% | 0.494 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -76.2 | -23.9 | 174.3 | -69.2 | 178 | 86.9 | 155.9 | 7.4 | 113.6 | V134 E135 C136 Q143 F146 | V134-R138 WeakPolarHBondContact O-CB 3.41Å; V134-R138 VanDerWaalsContact O-CG 3.28Å; V134-R138 WeakPolarHBondContact O-CG 3.28Å; V134-R138 PolarHBondContact O-N 2.97Å; E135-R138 PolarHBondContact O-N 3.39Å; C136-R138 VanDerWaalsContact C-N 3.32Å; C136-R138 PolarHBondContact O-N 2.87Å; R138-Q143 WeakPolarHBondContact O-CB 3.47Å; R138-Q143 VanDerWaalsContact O-CG 3.27Å; R138-Q143 WeakPolarHBondContact O-CG 3.43Å; R138-F146 HydrophobicContact CG-CD1 4.35Å; R138-F146 HydrophobicContact CG-CE1 4.47Å |
| 139 | S | 81.2 | Confident | 82.7 | Confident | 67 Ų | 67 | 48.3 Ų | 48.3 | 47% | 0.469 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -92 | -19.4 | 175 | -59.6 | 0 | 0 | 0 | 0 | 113.7 | E135 C136 | E135-S139 PolarHBondContact O-N 3.34Å; E135-S139 PolarHBondContact O-OG 3.42Å; E135-S139 VanDerWaalsContact O-OG 3.13Å; C136-S139 PolarHBondContact O-N 3.46Å |
| 140 | C | 77.1 | Confident | 82.4 | Confident | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.02 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -66.4 | 154.6 | 175.7 | -171.1 | 0 | 0 | 0 | 0 | 110.3 | W109 C136 L142 Q143 | W109-C140 HydrophobicContact CB-CB 4.08Å; C136-C140 VanDerWaalsContact O-CB 3.24Å; C136-C140 WeakPolarHBondContact O-CB 3.24Å; C136-C140 PolarHBondContact O-N 2.73Å; C140-L142 HydrophobicContact CB-CB 4.21Å; C140-L142 HydrophobicContact CB-CD1 4.37Å; C140-L142 HydrophobicContact CB-CG 4.38Å; C140-L142 PolarHBondContact O-N 3.17Å; C140-Q143 PolarHBondContact O-N 2.81Å |
| 141 | P | 70.9 | Confident | 82.1 | Confident | 83 Ų | 83 | 51.8 Ų | 51.8 | 54% | 0.539 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48 | -16.6 | 166.9 | -31 | 35 | 0 | 0 | 0 | 115.5 | Q143 F176 | P141-Q143 PolarHBondContact O-N 3.1Å; P141-F176 HydrophobicContact CB-CE2 4.07Å; P141-F176 HydrophobicContact CB-CZ 3.91Å |
| 142 | L | 73.9 | Confident | 81.7 | Confident | 6 Ų | 6 | 55.3 Ų | 55.3 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -3.6 | 172.8 | -61.4 | 169.4 | 0 | 0 | 0 | 115.2 | L113 C140 E144 K145 F146 L173 F176 | L113-L142 HydrophobicContact CD1-CD1 3.86Å; C140-L142 HydrophobicContact CB-CB 4.21Å; C140-L142 HydrophobicContact CB-CD1 4.37Å; C140-L142 HydrophobicContact CB-CG 4.38Å; C140-L142 PolarHBondContact O-N 3.17Å; L142-E144 VanDerWaalsContact C-N 3.32Å; L142-E144 PolarHBondContact O-N 3.34Å; L142-E144 VanDerWaalsContact O-N 3.16Å; L142-K145 PolarHBondContact O-N 2.94Å; L142-F146 WeakPolarHBondContact O-CB 3.16Å; L142-F146 PolarHBondContact O-N 2.95Å; L142-L173 HydrophobicContact CD1-CD2 3.65Å; L142-L173 HydrophobicContact CD1-CG 3.93Å; L142-F176 HydrophobicContact CD2-CB 3.32Å; L142-F176 HydrophobicContact CD2-CD1 4.21Å; L142-F176 HydrophobicContact CD2-CD2 3.73Å; L142-F176 HydrophobicContact CD2-CG 3.49Å; L142-F176 VanDerWaalsContact CD2-CG 3.49Å |
| 143 | Q | 73.7 | Confident | 81.3 | Confident | 117 Ų | 117 | 56.3 Ų | 56.3 | 55% | 0.547 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -48.1 | -47.8 | -168.4 | -179.4 | -179.8 | -6.6 | 0 | 0 | 113.7 | R138 C140 P141 S147 | R138-Q143 WeakPolarHBondContact O-CB 3.47Å; R138-Q143 VanDerWaalsContact O-CG 3.27Å; R138-Q143 WeakPolarHBondContact O-CG 3.43Å; C140-Q143 PolarHBondContact O-N 2.81Å; P141-Q143 PolarHBondContact O-N 3.1Å; Q143-S147 WeakPolarHBondContact O-CB 3.46Å; Q143-S147 PolarHBondContact O-N 3Å; Q143-S147 PolarHBondContact O-OG 2.73Å |
| 144 | E | 73.2 | Confident | 80.9 | Confident | 171 Ų | 171 | 58.7 Ų | 58.7 | 80% | 0.799 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -61.9 | -53.2 | -174.2 | -70.4 | -168.4 | 162.7 | 0 | 0 | 111.8 | L142 S147 G148 | L142-E144 VanDerWaalsContact C-N 3.32Å; L142-E144 PolarHBondContact O-N 3.34Å; L142-E144 VanDerWaalsContact O-N 3.16Å; E144-S147 PolarHBondContact O-OG 2.84Å; E144-G148 PolarHBondContact O-N 3.34Å |
| 145 | K | 76.6 | Confident | 80.7 | Confident | 117 Ų | 117 | 63.8 Ų | 63.8 | 51% | 0.509 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -70.5 | -45.6 | -176.5 | -63.2 | -175.3 | 178.4 | 177.2 | 0 | 112.1 | L142 S147 G148 A149 E172 S175 | L142-K145 PolarHBondContact O-N 2.94Å; K145-S147 VanDerWaalsContact C-N 3.32Å; K145-S147 PolarHBondContact O-N 3.2Å; K145-G148 PolarHBondContact O-N 3.12Å; K145-A149 PolarHBondContact O-N 3.25Å; K145-E172 WeakPolarHBondContact CB-OE2 3.43Å; K145-E172 WeakPolarHBondContact CD-OE2 3.19Å; K145-S175 PolarHBondContact NZ-O 3.31Å; K145-S175 PolarHBondContact NZ-OG 3.28Å; K145-S175 VanDerWaalsContact NZ-OG 3.13Å |
| 146 | F | 83.7 | Confident | 80.4 | Confident | 1 Ų | 1 | 65 Ų | 65 | 0% | 0.004 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.1 | -36.1 | -179.8 | -176.7 | -103.7 | 0 | 0 | 0 | 112 | V134 A137 R138 L142 G148 A149 Y150 A168 I169 E172 | V134-F146 HydrophobicContact CG1-CE1 4.43Å; A137-F146 HydrophobicContact CB-CD1 3.51Å; A137-F146 HydrophobicContact CB-CD2 4.38Å; A137-F146 HydrophobicContact CB-CE1 3.48Å; A137-F146 VanDerWaalsContact CB-CE1 3.48Å; A137-F146 HydrophobicContact CB-CE2 4.36Å; A137-F146 HydrophobicContact CB-CG 3.98Å; A137-F146 HydrophobicContact CB-CZ 3.93Å; R138-F146 HydrophobicContact CG-CD1 4.35Å; R138-F146 HydrophobicContact CG-CE1 4.47Å; L142-F146 WeakPolarHBondContact O-CB 3.16Å; L142-F146 PolarHBondContact O-N 2.95Å; F146-G148 VanDerWaalsContact C-N 3.27Å; F146-G148 PolarHBondContact O-N 2.86Å; F146-A149 PolarHBondContact O-N 2.86Å; F146-Y150 AromaticContact CE1-CD2 3.96Å; F146-Y150 HydrophobicContact CE1-CD2 3.96Å; F146-Y150 HydrophobicContact CE1-CG 4.2Å; F146-Y150 AromaticContact CZ-CD2 3.82Å; F146-Y150 HydrophobicContact CZ-CD2 3.82Å; F146-Y150 HydrophobicContact CZ-CG 4.4Å; F146-Y150 WeakPolarHBondContact O-CB 3.22Å; F146-Y150 PolarHBondContact O-N 2.93Å; F146-A168 HydrophobicContact CE2-CB 4.22Å; F146-I169 HydrophobicContact CD2-CG1 4.22Å; F146-I169 HydrophobicContact CE2-CD1 4.49Å; F146-I169 HydrophobicContact CE2-CG1 3.51Å; F146-I169 HydrophobicContact CZ-CD1 4.43Å; F146-I169 HydrophobicContact CZ-CG1 3.89Å; F146-E172 HydrophobicContact CB-CG 4.41Å; F146-E172 HydrophobicContact CD2-CG 4.32Å |
| 147 | S | 79.7 | Confident | 79.9 | Confident | 48 Ų | 48 | 67.4 Ų | 67.4 | 34% | 0.336 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.2 | -35.3 | 176.6 | 71.7 | 0 | 0 | 0 | 0 | 112.6 | Q143 E144 K145 S151 | Q143-S147 WeakPolarHBondContact O-CB 3.46Å; Q143-S147 PolarHBondContact O-N 3Å; Q143-S147 PolarHBondContact O-OG 2.73Å; E144-S147 PolarHBondContact O-OG 2.84Å; K145-S147 VanDerWaalsContact C-N 3.32Å; K145-S147 PolarHBondContact O-N 3.2Å; S147-S151 VanDerWaalsContact O-CB 3.26Å; S147-S151 WeakPolarHBondContact O-CB 3.31Å; S147-S151 PolarHBondContact O-N 3.25Å; S147-S151 PolarHBondContact O-OG 3.34Å |
| 148 | G | 81.6 | Confident | 79.5 | Confident | 31 Ų | 31 | 70.9 Ų | 70.9 | 32% | 0.32 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.5 | -50.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E144 K145 F146 S151 K152 | E144-G148 PolarHBondContact O-N 3.34Å; K145-G148 PolarHBondContact O-N 3.12Å; F146-G148 VanDerWaalsContact C-N 3.27Å; F146-G148 PolarHBondContact O-N 2.86Å; G148-S151 PolarHBondContact O-N 3.43Å; G148-S151 PolarHBondContact O-OG 3.49Å; G148-K152 PolarHBondContact O-N 3.03Å |
| 149 | A | 79.6 | Confident | 79.3 | Confident | 26 Ų | 26 | 67.6 Ų | 67.6 | 22% | 0.215 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | K145 F146 S151 K152 M153 | K145-A149 PolarHBondContact O-N 3.25Å; F146-A149 PolarHBondContact O-N 2.86Å; A149-S151 PolarHBondContact O-N 3.42Å; A149-K152 WeakPolarHBondContact O-CB 3.41Å; A149-K152 PolarHBondContact O-N 2.91Å; A149-M153 WeakPolarHBondContact O-CG 3.21Å; A149-M153 PolarHBondContact O-N 3.2Å |
| 150 | Y | 84.2 | Confident | 79.3 | Confident | 36 Ų | 36 | 72.8 Ų | 72.8 | 14% | 0.141 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -65.8 | -38.3 | 179.9 | -171.1 | -89.8 | 0 | 0 | 0 | 112.3 | V134 F146 K152 M153 S154 E159 | V134-Y150 HydrophobicContact CB-CE2 4.29Å; V134-Y150 HydrophobicContact CG1-CD2 4.12Å; V134-Y150 HydrophobicContact CG1-CE1 4.33Å; V134-Y150 HydrophobicContact CG1-CE2 3.6Å; V134-Y150 HydrophobicContact CG2-CD2 4.3Å; V134-Y150 HydrophobicContact CG2-CE2 3.6Å; F146-Y150 AromaticContact CE1-CD2 3.96Å; F146-Y150 HydrophobicContact CE1-CD2 3.96Å; F146-Y150 HydrophobicContact CE1-CG 4.2Å; F146-Y150 AromaticContact CZ-CD2 3.82Å; F146-Y150 HydrophobicContact CZ-CD2 3.82Å; F146-Y150 HydrophobicContact CZ-CG 4.4Å; F146-Y150 WeakPolarHBondContact O-CB 3.22Å; F146-Y150 PolarHBondContact O-N 2.93Å; Y150-K152 VanDerWaalsContact C-N 3.33Å; Y150-K152 PolarHBondContact O-N 3.32Å; Y150-M153 PolarHBondContact O-N 2.87Å; Y150-S154 WeakPolarHBondContact O-CB 3.08Å; Y150-S154 PolarHBondContact O-N 3.3Å; Y150-E159 HydrophobicContact CE2-CB 4.24Å; Y150-E159 PolarHBondContact OH-OE2 3.38Å |
| 151 | S | 83.8 | Confident | 79.7 | Confident | 62 Ų | 62 | 74.7 Ų | 74.7 | 43% | 0.434 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 175.5 | 69.5 | 0 | 0 | 0 | 0 | 111.3 | S147 G148 A149 M153 S154 T155 | S147-S151 VanDerWaalsContact O-CB 3.26Å; S147-S151 WeakPolarHBondContact O-CB 3.31Å; S147-S151 PolarHBondContact O-N 3.25Å; S147-S151 PolarHBondContact O-OG 3.34Å; G148-S151 PolarHBondContact O-N 3.43Å; G148-S151 PolarHBondContact O-OG 3.49Å; A149-S151 PolarHBondContact O-N 3.42Å; S151-M153 PolarHBondContact O-N 2.88Å; S151-S154 PolarHBondContact O-N 2.95Å; S151-T155 WeakPolarHBondContact O-CG2 3.41Å; S151-T155 PolarHBondContact O-N 3.49Å; S151-T155 PolarHBondContact O-OG1 3.31Å |
| 152 | K | 81.6 | Confident | 80.5 | Confident | 149 Ų | 149 | 71 Ų | 71 | 65% | 0.648 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -60.8 | -44.7 | 173.4 | -68 | 175.6 | -178.7 | 176.7 | 0 | 111.6 | G148 A149 Y150 S154 T155 L156 | G148-K152 PolarHBondContact O-N 3.03Å; A149-K152 WeakPolarHBondContact O-CB 3.41Å; A149-K152 PolarHBondContact O-N 2.91Å; Y150-K152 VanDerWaalsContact C-N 3.33Å; Y150-K152 PolarHBondContact O-N 3.32Å; K152-S154 VanDerWaalsContact C-N 3.33Å; K152-S154 PolarHBondContact O-N 3.17Å; K152-T155 WeakPolarHBondContact CA-OG1 3.24Å; K152-T155 PolarHBondContact O-N 3.25Å; K152-T155 PolarHBondContact O-OG1 3.33Å; K152-L156 WeakPolarHBondContact O-CG 3.2Å; K152-L156 PolarHBondContact O-N 3.05Å |
| 153 | M | 82.8 | Confident | 81.2 | Confident | 22 Ų | 22 | 71 Ų | 71 | 11% | 0.108 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.9 | -39.4 | 176.6 | -69.2 | 175.2 | 57.4 | 0 | 0 | 112.7 | A149 Y150 S151 L156 G157 L158 L164 V165 A168 | A149-M153 WeakPolarHBondContact O-CG 3.21Å; A149-M153 PolarHBondContact O-N 3.2Å; Y150-M153 PolarHBondContact O-N 2.87Å; S151-M153 PolarHBondContact O-N 2.88Å; M153-L156 PolarHBondContact O-N 2.81Å; M153-G157 PolarHBondContact O-N 3.43Å; M153-L158 PolarHBondContact O-N 2.64Å; M153-L164 HydrophobicContact CE-CB 3.56Å; M153-V165 HydrophobicContact CE-CB 4.38Å; M153-V165 HydrophobicContact CE-CG2 3.6Å; M153-A168 HydrophobicContact SD-CB 3.95Å |
| 154 | S | 81.5 | Confident | 81.8 | Confident | 51 Ų | 51 | 66.8 Ų | 66.8 | 36% | 0.357 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67.2 | -40.8 | 177.8 | -166.1 | 0 | 0 | 0 | 0 | 110.9 | Y150 S151 K152 L156 G157 E159 | Y150-S154 WeakPolarHBondContact O-CB 3.08Å; Y150-S154 PolarHBondContact O-N 3.3Å; S151-S154 PolarHBondContact O-N 2.95Å; K152-S154 VanDerWaalsContact C-N 3.33Å; K152-S154 PolarHBondContact O-N 3.17Å; S154-L156 PolarHBondContact O-N 2.65Å; S154-G157 PolarHBondContact O-N 3.45Å; S154-E159 WeakPolarHBondContact CB-OE2 3.43Å; S154-E159 PolarHBondContact OG-OE2 2.9Å |
| 155 | T | 82.5 | Confident | 82.5 | Confident | 118 Ų | 118 | 58.7 Ų | 58.7 | 72% | 0.724 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -61 | -28.1 | 174 | 58.4 | 0 | 0 | 0 | 0 | 113.6 | S151 K152 | S151-T155 WeakPolarHBondContact O-CG2 3.41Å; S151-T155 PolarHBondContact O-N 3.49Å; S151-T155 PolarHBondContact O-OG1 3.31Å; K152-T155 WeakPolarHBondContact CA-OG1 3.24Å; K152-T155 PolarHBondContact O-N 3.25Å; K152-T155 PolarHBondContact O-OG1 3.33Å |
| 156 | L | 80.5 | Confident | 83.2 | Confident | 124 Ų | 124 | 53.1 Ų | 53.1 | 65% | 0.649 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | 0.4 | 177.4 | -63.9 | 172.7 | 0 | 0 | 0 | 113.3 | K152 M153 S154 L158 | K152-L156 WeakPolarHBondContact O-CG 3.2Å; K152-L156 PolarHBondContact O-N 3.05Å; M153-L156 PolarHBondContact O-N 2.81Å; S154-L156 PolarHBondContact O-N 2.65Å; L156-L158 HydrophobicContact CB-CD1 3.76Å; L156-L158 HydrophobicContact CB-CG 3.88Å; L156-L158 HydrophobicContact CD1-CD1 4.06Å; L156-L158 PolarHBondContact O-N 3.32Å |
| 157 | G | 79.4 | Confident | 83.4 | Confident | 52 Ų | 52 | 53.4 Ų | 53.4 | 54% | 0.536 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 15.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | M153 S154 | M153-G157 PolarHBondContact O-N 3.43Å; S154-G157 PolarHBondContact O-N 3.45Å |
| 158 | L | 79.1 | Confident | 83.8 | Confident | 73 Ų | 73 | 51.7 Ų | 51.7 | 38% | 0.382 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -91.9 | -0.4 | -173 | -66 | 174.7 | 0 | 0 | 0 | 113.7 | M153 L156 K160 S161 L164 | M153-L158 PolarHBondContact O-N 2.64Å; L156-L158 HydrophobicContact CB-CD1 3.76Å; L156-L158 HydrophobicContact CB-CG 3.88Å; L156-L158 HydrophobicContact CD1-CD1 4.06Å; L156-L158 PolarHBondContact O-N 3.32Å; L158-K160 PolarHBondContact O-N 3.32Å; L158-K160 VanDerWaalsContact O-N 3.1Å; L158-S161 WeakPolarHBondContact O-CB 3.37Å; L158-S161 PolarHBondContact O-N 2.83Å; L158-L164 HydrophobicContact CB-CD1 3.71Å; L158-L164 HydrophobicContact CD1-CD1 3.87Å; L158-L164 HydrophobicContact CD2-CD1 3.95Å; L158-L164 HydrophobicContact CG-CD1 4.04Å |
| 159 | E | 78.4 | Confident | 84.2 | Confident | 63 Ų | 63 | 50.4 Ų | 50.4 | 29% | 0.294 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -62 | -17.4 | -179.2 | 61.9 | 179.5 | -162.3 | 0 | 0 | 114.5 | Y150 S154 S161 | Y150-E159 HydrophobicContact CE2-CB 4.24Å; Y150-E159 PolarHBondContact OH-OE2 3.38Å; S154-E159 WeakPolarHBondContact CB-OE2 3.43Å; S154-E159 PolarHBondContact OG-OE2 2.9Å; E159-S161 VanDerWaalsContact C-N 3.35Å |
| 160 | K | 81 | Confident | 84.7 | Confident | 176 Ų | 176 | 49.2 Ų | 49.2 | 77% | 0.765 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -83.4 | -10.3 | 177.3 | -62.7 | 177.8 | -175.7 | 169.8 | 0 | 113.4 | L158 A162 | L158-K160 PolarHBondContact O-N 3.32Å; L158-K160 VanDerWaalsContact O-N 3.1Å; K160-A162 PolarHBondContact O-N 3.27Å |
| 161 | S | 86 | Confident | 84.8 | Confident | 42 Ų | 42 | 50.8 Ų | 50.8 | 29% | 0.294 | 28% | 0.282 | S | S | . | . | trans | -84.7 | 108.1 | -179.6 | 178.4 | 0 | 0 | 0 | 0 | 110.4 | L158 E159 F163 L164 V165 | L158-S161 WeakPolarHBondContact O-CB 3.37Å; L158-S161 PolarHBondContact O-N 2.83Å; E159-S161 VanDerWaalsContact C-N 3.35Å; S161-F163 PolarHBondContact O-N 3.09Å; S161-L164 PolarHBondContact O-N 3.28Å; S161-L164 PolarHBondContact OG-N 2.98Å; S161-V165 WeakPolarHBondContact O-CG2 3.16Å; S161-V165 PolarHBondContact O-N 3.2Å | ||
| 162 | A | 87.4 | Confident | 85.1 | Confident | 6 Ų | 6 | 49.6 Ų | 49.6 | 5% | 0.05 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56.5 | -41.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L120 P124 L130 K160 L164 V165 V166 I192 | L120-A162 HydrophobicContact CD2-CB 4.24Å; P124-A162 HydrophobicContact CB-CB 4.33Å; P124-A162 WeakPolarHBondContact O-CB 3.25Å; L130-A162 HydrophobicContact CD1-CB 4.37Å; K160-A162 PolarHBondContact O-N 3.27Å; A162-L164 PolarHBondContact O-N 3.42Å; A162-V165 PolarHBondContact O-N 2.88Å; A162-V166 VanDerWaalsContact O-CB 3.29Å; A162-V166 WeakPolarHBondContact O-CB 3.32Å; A162-V166 WeakPolarHBondContact O-CG2 3.15Å; A162-V166 PolarHBondContact O-N 2.7Å; A162-I192 HydrophobicContact CB-CD1 4.09Å |
| 163 | F | 89.2 | Confident | 85.4 | Confident | 6 Ų | 6 | 42.5 Ų | 42.5 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -55.5 | -50.8 | 176.6 | 178.2 | -84.9 | 0 | 0 | 0 | 111.9 | S161 S167 A189 I192 L199 V203 | S161-F163 PolarHBondContact O-N 3.09Å; F163-S167 WeakPolarHBondContact CE1-OG 3.42Å; F163-S167 VanDerWaalsContact O-CB 3.24Å; F163-S167 WeakPolarHBondContact O-CB 3.37Å; F163-S167 PolarHBondContact O-N 3.36Å; F163-S167 PolarHBondContact O-OG 3.16Å; F163-A189 WeakPolarHBondContact CD2-O 3.31Å; F163-A189 WeakPolarHBondContact CE2-O 3.43Å; F163-I192 HydrophobicContact CB-CB 4.34Å; F163-I192 HydrophobicContact CB-CG2 3.87Å; F163-I192 HydrophobicContact CD2-CB 4.34Å; F163-L199 HydrophobicContact CD1-CB 4.44Å; F163-L199 HydrophobicContact CD1-CD1 4.41Å; F163-L199 HydrophobicContact CE1-CB 3.62Å; F163-L199 HydrophobicContact CE1-CD1 4.35Å; F163-L199 HydrophobicContact CE1-CG 4.49Å; F163-L199 HydrophobicContact CZ-CB 4.12Å; F163-V203 HydrophobicContact CE1-CG2 4.22Å; F163-V203 HydrophobicContact CE2-CG2 4.22Å; F163-V203 HydrophobicContact CZ-CG2 3.55Å |
| 164 | L | 87 | Confident | 85.6 | Confident | 29 Ų | 29 | 43.5 Ų | 43.5 | 15% | 0.152 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.2 | -40.6 | -176.5 | -71.9 | 172.6 | 0 | 0 | 0 | 111.8 | M153 L158 S161 A162 S167 A168 L199 | M153-L164 HydrophobicContact CE-CB 3.56Å; L158-L164 HydrophobicContact CB-CD1 3.71Å; L158-L164 HydrophobicContact CD1-CD1 3.87Å; L158-L164 HydrophobicContact CD2-CD1 3.95Å; L158-L164 HydrophobicContact CG-CD1 4.04Å; S161-L164 PolarHBondContact O-N 3.28Å; S161-L164 PolarHBondContact OG-N 2.98Å; A162-L164 PolarHBondContact O-N 3.42Å; L164-S167 PolarHBondContact O-N 2.97Å; L164-A168 VanDerWaalsContact O-CB 3.32Å; L164-A168 WeakPolarHBondContact O-CB 3.38Å; L164-A168 PolarHBondContact O-N 3.42Å; L164-L199 HydrophobicContact CD2-CD1 3.81Å; L164-L199 HydrophobicContact CD2-CD2 3.75Å; L164-L199 HydrophobicContact CD2-CG 4.41Å; L164-L199 HydrophobicContact CG-CD1 4.44Å |
| 165 | V | 87.5 | Confident | 85.8 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.7 | -46.7 | 179.4 | 172.9 | 0 | 0 | 0 | 0 | 110.3 | L130 V134 M153 S161 A162 A168 I169 | L130-V165 HydrophobicContact CD1-CB 3.87Å; L130-V165 HydrophobicContact CD1-CG1 3.92Å; L130-V165 HydrophobicContact CD1-CG2 4.05Å; V134-V165 HydrophobicContact CG2-CG1 3.71Å; M153-V165 HydrophobicContact CE-CB 4.38Å; M153-V165 HydrophobicContact CE-CG2 3.6Å; S161-V165 WeakPolarHBondContact O-CG2 3.16Å; S161-V165 PolarHBondContact O-N 3.2Å; A162-V165 PolarHBondContact O-N 2.88Å; V165-A168 PolarHBondContact O-N 3.21Å; V165-I169 HydrophobicContact CG1-CD1 3.86Å; V165-I169 VanDerWaalsContact O-CG1 3.24Å; V165-I169 WeakPolarHBondContact O-CG1 3.4Å; V165-I169 PolarHBondContact O-N 3.4Å |
| 166 | V | 90 | Very high | 85.9 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.2 | -41.3 | 178.4 | 178.6 | 0 | 0 | 0 | 0 | 110.9 | L120 A162 A168 I169 G170 V185 A189 I192 | L120-V166 HydrophobicContact CB-CG2 4.14Å; L120-V166 HydrophobicContact CD1-CG2 3.64Å; A162-V166 VanDerWaalsContact O-CB 3.29Å; A162-V166 WeakPolarHBondContact O-CB 3.32Å; A162-V166 WeakPolarHBondContact O-CG2 3.15Å; A162-V166 PolarHBondContact O-N 2.7Å; V166-A168 PolarHBondContact O-N 3.41Å; V166-I169 PolarHBondContact O-N 3.1Å; V166-G170 PolarHBondContact O-N 2.9Å; V166-V185 HydrophobicContact CG1-CG1 3.75Å; V166-V185 VanDerWaalsContact CG1-O 3.23Å; V166-V185 WeakPolarHBondContact CG1-O 3.37Å; V166-V185 VanDerWaalsContact O-CG1 3.3Å; V166-V185 WeakPolarHBondContact O-CG1 3.32Å; V166-A189 HydrophobicContact CB-CB 4.33Å; V166-A189 HydrophobicContact CG1-CB 3.87Å; V166-I192 HydrophobicContact CB-CD1 4.29Å; V166-I192 HydrophobicContact CG2-CD1 4.01Å |
| 167 | S | 89.4 | Confident | 86 | Confident | 8 Ų | 8 | 39.3 Ų | 39.3 | 6% | 0.056 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.7 | -44.8 | 175.3 | -59 | 0 | 0 | 0 | 0 | 112.1 | F163 L164 G170 Q171 V203 | F163-S167 WeakPolarHBondContact CE1-OG 3.42Å; F163-S167 VanDerWaalsContact O-CB 3.24Å; F163-S167 WeakPolarHBondContact O-CB 3.37Å; F163-S167 PolarHBondContact O-N 3.36Å; F163-S167 PolarHBondContact O-OG 3.16Å; L164-S167 PolarHBondContact O-N 2.97Å; S167-G170 PolarHBondContact O-N 3.49Å; S167-Q171 WeakPolarHBondContact O-CG 3.48Å; S167-Q171 PolarHBondContact O-N 3.31Å; S167-V203 VanDerWaalsContact OG-CG2 3.28Å; S167-V203 WeakPolarHBondContact OG-CG2 3.43Å |
| 168 | A | 88.2 | Confident | 86.3 | Confident | 12 Ų | 12 | 37.3 Ų | 37.3 | 10% | 0.099 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.9 | -43.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F146 M153 L164 V165 V166 G170 Q171 E172 | F146-A168 HydrophobicContact CE2-CB 4.22Å; M153-A168 HydrophobicContact SD-CB 3.95Å; L164-A168 VanDerWaalsContact O-CB 3.32Å; L164-A168 WeakPolarHBondContact O-CB 3.38Å; L164-A168 PolarHBondContact O-N 3.42Å; V165-A168 PolarHBondContact O-N 3.21Å; V166-A168 PolarHBondContact O-N 3.41Å; A168-G170 VanDerWaalsContact C-N 3.33Å; A168-G170 PolarHBondContact O-N 3.47Å; A168-Q171 PolarHBondContact O-N 2.89Å; A168-E172 WeakPolarHBondContact O-CB 3.35Å; A168-E172 VanDerWaalsContact O-CG 3.32Å; A168-E172 WeakPolarHBondContact O-CG 3.4Å; A168-E172 PolarHBondContact O-N 2.61Å |
| 169 | I | 88.6 | Confident | 86.7 | Confident | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.5 | -44.9 | 174.7 | -67.4 | 167 | 0 | 0 | 0 | 110.6 | L113 A133 A137 F146 V165 V166 E172 L173 V185 | L113-I169 HydrophobicContact CB-CG2 4.2Å; L113-I169 HydrophobicContact CD1-CG2 4.08Å; L113-I169 HydrophobicContact CD2-CD1 4.36Å; L113-I169 HydrophobicContact CD2-CG2 4.02Å; L113-I169 HydrophobicContact CG-CG2 4.33Å; A133-I169 HydrophobicContact CB-CD1 4.11Å; A137-I169 HydrophobicContact CB-CD1 4.37Å; A137-I169 HydrophobicContact CB-CG1 4.19Å; F146-I169 HydrophobicContact CD2-CG1 4.22Å; F146-I169 HydrophobicContact CE2-CD1 4.49Å; F146-I169 HydrophobicContact CE2-CG1 3.51Å; F146-I169 HydrophobicContact CZ-CD1 4.43Å; F146-I169 HydrophobicContact CZ-CG1 3.89Å; V165-I169 HydrophobicContact CG1-CD1 3.86Å; V165-I169 VanDerWaalsContact O-CG1 3.24Å; V165-I169 WeakPolarHBondContact O-CG1 3.4Å; V165-I169 PolarHBondContact O-N 3.4Å; V166-I169 PolarHBondContact O-N 3.1Å; I169-E172 PolarHBondContact O-N 3.04Å; I169-L173 HydrophobicContact CG2-CD1 3.91Å; I169-L173 HydrophobicContact CG2-CG 4.47Å; I169-L173 WeakPolarHBondContact O-CB 2.97Å; I169-L173 WeakPolarHBondContact O-CG 3.35Å; I169-L173 PolarHBondContact O-N 3.46Å; I169-V185 HydrophobicContact CB-CG1 4.24Å; I169-V185 HydrophobicContact CG2-CG1 4.04Å |
| 170 | G | 89.8 | Confident | 87.1 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.9 | -43 | -180 | 0 | 0 | 0 | 0 | 0 | 113.3 | V166 S167 A168 L173 L174 A182 | V166-G170 PolarHBondContact O-N 2.9Å; S167-G170 PolarHBondContact O-N 3.49Å; A168-G170 VanDerWaalsContact C-N 3.33Å; A168-G170 PolarHBondContact O-N 3.47Å; G170-L173 PolarHBondContact O-N 3.39Å; G170-L174 PolarHBondContact O-N 3.04Å; G170-A182 WeakPolarHBondContact O-CB 3.31Å |
| 171 | Q | 87.7 | Confident | 87.5 | Confident | 70 Ų | 70 | 31.4 Ų | 31.4 | 33% | 0.327 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -67.1 | -38 | 176.1 | -71.6 | 178.1 | 3.3 | 0 | 0 | 112.2 | S167 A168 L174 S175 L186 S202 A206 | S167-Q171 WeakPolarHBondContact O-CG 3.48Å; S167-Q171 PolarHBondContact O-N 3.31Å; A168-Q171 PolarHBondContact O-N 2.89Å; Q171-L174 PolarHBondContact O-N 3.3Å; Q171-S175 PolarHBondContact O-N 2.77Å; Q171-L186 HydrophobicContact CG-CD2 4.32Å; Q171-S202 PolarHBondContact NE2-OG 3.09Å; Q171-A206 HydrophobicContact CG-CB 4.01Å |
| 172 | E | 88.9 | Confident | 87.7 | Confident | 36 Ų | 36 | 29.4 Ų | 29.4 | 17% | 0.168 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -70.4 | -35.3 | 175.8 | -67.9 | -54.4 | 158.3 | 0 | 0 | 112.7 | K145 F146 A168 I169 L174 S175 F176 | K145-E172 WeakPolarHBondContact CB-OE2 3.43Å; K145-E172 WeakPolarHBondContact CD-OE2 3.19Å; F146-E172 HydrophobicContact CB-CG 4.41Å; F146-E172 HydrophobicContact CD2-CG 4.32Å; A168-E172 WeakPolarHBondContact O-CB 3.35Å; A168-E172 VanDerWaalsContact O-CG 3.32Å; A168-E172 WeakPolarHBondContact O-CG 3.4Å; A168-E172 PolarHBondContact O-N 2.61Å; I169-E172 PolarHBondContact O-N 3.04Å; E172-L174 VanDerWaalsContact C-N 3.33Å; E172-S175 PolarHBondContact O-N 2.78Å; E172-S175 PolarHBondContact O-OG 3.4Å; E172-S175 PolarHBondContact OE2-OG 3.27Å; E172-F176 WeakPolarHBondContact O-CB 3.36Å; E172-F176 PolarHBondContact O-N 3.24Å |
| 173 | L | 88.2 | Confident | 87.8 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.2 | -41.7 | 170.9 | -79.6 | 166 | 0 | 0 | 0 | 111.6 | Q110 L113 L142 I169 G170 F176 G177 A178 E181 A182 V185 | Q110-L173 HydrophobicContact CB-CD2 4.38Å; Q110-L173 HydrophobicContact CG-CD2 4.09Å; L113-L173 HydrophobicContact CB-CD1 4.43Å; L113-L173 HydrophobicContact CD1-CD1 4.36Å; L113-L173 HydrophobicContact CD1-CD2 4.24Å; L113-L173 HydrophobicContact CD1-CG 4.48Å; L142-L173 HydrophobicContact CD1-CD2 3.65Å; L142-L173 HydrophobicContact CD1-CG 3.93Å; I169-L173 HydrophobicContact CG2-CD1 3.91Å; I169-L173 HydrophobicContact CG2-CG 4.47Å; I169-L173 WeakPolarHBondContact O-CB 2.97Å; I169-L173 WeakPolarHBondContact O-CG 3.35Å; I169-L173 PolarHBondContact O-N 3.46Å; G170-L173 PolarHBondContact O-N 3.39Å; L173-F176 PolarHBondContact O-N 3.44Å; L173-G177 PolarHBondContact O-N 3.03Å; L173-G177 VanDerWaalsContact O-N 3.15Å; L173-A178 HydrophobicContact CD2-CB 3.9Å; L173-A178 PolarHBondContact O-N 2.83Å; L173-E181 HydrophobicContact CD1-CB 4.46Å; L173-A182 HydrophobicContact CB-CB 3.77Å; L173-V185 HydrophobicContact CD1-CB 4.29Å; L173-V185 HydrophobicContact CD1-CG2 3.7Å |
| 174 | L | 86.9 | Confident | 87.9 | Confident | 44 Ų | 44 | 32.8 Ų | 32.8 | 23% | 0.23 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.5 | -42.1 | 175.2 | -169.7 | 140 | 0 | 0 | 0 | 111.3 | G170 Q171 E172 F176 G177 A182 A206 A210 | G170-L174 PolarHBondContact O-N 3.04Å; Q171-L174 PolarHBondContact O-N 3.3Å; E172-L174 VanDerWaalsContact C-N 3.33Å; L174-F176 PolarHBondContact O-N 3.25Å; L174-G177 PolarHBondContact O-N 3.06Å; L174-G177 VanDerWaalsContact O-N 3.13Å; L174-A182 HydrophobicContact CB-CB 3.93Å; L174-A206 WeakPolarHBondContact CD1-O 3.33Å; L174-A210 HydrophobicContact CD1-CB 3.53Å |
| 175 | S | 85.5 | Confident | 88.1 | Confident | 57 Ų | 57 | 31.4 Ų | 31.4 | 40% | 0.399 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -66.8 | -20.6 | 176.4 | 101.2 | 0 | 0 | 0 | 0 | 113.6 | K145 Q171 E172 | K145-S175 PolarHBondContact NZ-O 3.31Å; K145-S175 PolarHBondContact NZ-OG 3.28Å; K145-S175 VanDerWaalsContact NZ-OG 3.13Å; Q171-S175 PolarHBondContact O-N 2.77Å; E172-S175 PolarHBondContact O-N 2.78Å; E172-S175 PolarHBondContact O-OG 3.4Å; E172-S175 PolarHBondContact OE2-OG 3.27Å |
| 176 | F | 84.3 | Confident | 88.3 | Confident | 97 Ų | 97 | 31.4 Ų | 31.4 | 43% | 0.425 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -90.6 | -11.4 | 175.7 | -171.7 | -98.9 | 0 | 0 | 0 | 113.4 | P141 L142 E172 L173 L174 A178 | P141-F176 HydrophobicContact CB-CE2 4.07Å; P141-F176 HydrophobicContact CB-CZ 3.91Å; L142-F176 HydrophobicContact CD2-CB 3.32Å; L142-F176 HydrophobicContact CD2-CD1 4.21Å; L142-F176 HydrophobicContact CD2-CD2 3.73Å; L142-F176 HydrophobicContact CD2-CG 3.49Å; L142-F176 VanDerWaalsContact CD2-CG 3.49Å; E172-F176 WeakPolarHBondContact O-CB 3.36Å; E172-F176 PolarHBondContact O-N 3.24Å; L173-F176 PolarHBondContact O-N 3.44Å; L174-F176 PolarHBondContact O-N 3.25Å; F176-A178 HydrophobicContact CD1-CB 4.39Å |
| 177 | G | 83.5 | Confident | 88.3 | Confident | 50 Ų | 50 | 34.4 Ų | 34.4 | 52% | 0.515 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | 7.6 | -179 | 0 | 0 | 0 | 0 | 0 | 115 | L173 L174 I179 | L173-G177 PolarHBondContact O-N 3.03Å; L173-G177 VanDerWaalsContact O-N 3.15Å; L174-G177 PolarHBondContact O-N 3.06Å; L174-G177 VanDerWaalsContact O-N 3.13Å; G177-I179 PolarHBondContact O-N 3.41Å |
| 178 | A | 85.2 | Confident | 88.3 | Confident | 10 Ų | 10 | 34.6 Ų | 34.6 | 8% | 0.083 | 19% | 0.193 | C | C | . | . | trans | -82.8 | 69.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q110 L173 F176 A182 | Q110-A178 HydrophobicContact CG-CB 4.08Å; L173-A178 HydrophobicContact CD2-CB 3.9Å; L173-A178 PolarHBondContact O-N 2.83Å; F176-A178 HydrophobicContact CD1-CB 4.39Å; A178-A182 VanDerWaalsContact O-CB 3.26Å; A178-A182 WeakPolarHBondContact O-CB 3.4Å; A178-A182 PolarHBondContact O-N 2.96Å | ||
| 179 | I | 87.6 | Confident | 88.4 | Confident | 45 Ų | 45 | 34 Ų | 34 | 23% | 0.231 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.8 | -46.4 | -165.5 | -57.5 | 159.5 | 0 | 0 | 0 | 111.5 | G177 E181 A182 V183 A210 L214 | G177-I179 PolarHBondContact O-N 3.41Å; I179-E181 PolarHBondContact O-N 2.97Å; I179-A182 WeakPolarHBondContact O-CB 3.1Å; I179-A182 PolarHBondContact O-N 2.91Å; I179-V183 WeakPolarHBondContact O-CG2 3.32Å; I179-V183 PolarHBondContact O-N 3.09Å; I179-A210 HydrophobicContact CG2-CB 4.36Å; I179-A210 WeakPolarHBondContact CG2-O 3.45Å; I179-L214 HydrophobicContact CB-CD2 4.1Å; I179-L214 HydrophobicContact CG2-CD1 4.25Å; I179-L214 HydrophobicContact CG2-CD2 3.64Å; I179-L214 HydrophobicContact CG2-CG 3.58Å |
| 180 | D | 87.3 | Confident | 88.3 | Confident | 99 Ų | 99 | 36.2 Ų | 36.2 | 53% | 0.529 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.2 | -44.2 | -179 | -70.4 | -51.2 | 0 | 0 | 0 | 111.7 | V183 N184 L214 | D180-V183 PolarHBondContact O-N 3.29Å; D180-N184 PolarHBondContact O-N 3.02Å; D180-N184 PolarHBondContact O-ND2 3.19Å; D180-L214 WeakPolarHBondContact OD1-CD2 2.95Å |
| 181 | E | 88.6 | Confident | 88.1 | Confident | 45 Ų | 45 | 42.8 Ų | 42.8 | 21% | 0.21 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.6 | -37.1 | 175.8 | -65.1 | 93.4 | 164 | 0 | 0 | 112.2 | Q110 V114 L173 I179 V183 N184 V185 | Q110-E181 HydrophobicContact CB-CB 4.16Å; Q110-E181 HydrophobicContact CB-CG 3.73Å; V114-E181 HydrophobicContact CG2-CB 3.47Å; V114-E181 VanDerWaalsContact CG2-CB 3.47Å; V114-E181 HydrophobicContact CG2-CG 3.69Å; L173-E181 HydrophobicContact CD1-CB 4.46Å; I179-E181 PolarHBondContact O-N 2.97Å; E181-V183 PolarHBondContact O-N 3.18Å; E181-N184 PolarHBondContact O-N 2.92Å; E181-V185 WeakPolarHBondContact O-CB 3.06Å; E181-V185 VanDerWaalsContact O-CG2 3.23Å; E181-V185 WeakPolarHBondContact O-CG2 3.28Å; E181-V185 PolarHBondContact O-N 2.64Å |
| 182 | A | 90.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.5 | -43.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | G170 L173 L174 A178 I179 V185 L186 | G170-A182 WeakPolarHBondContact O-CB 3.31Å; L173-A182 HydrophobicContact CB-CB 3.77Å; L174-A182 HydrophobicContact CB-CB 3.93Å; A178-A182 VanDerWaalsContact O-CB 3.26Å; A178-A182 WeakPolarHBondContact O-CB 3.4Å; A178-A182 PolarHBondContact O-N 2.96Å; I179-A182 WeakPolarHBondContact O-CB 3.1Å; I179-A182 PolarHBondContact O-N 2.91Å; A182-V185 PolarHBondContact O-N 3.18Å; A182-L186 WeakPolarHBondContact O-CB 3.4Å; A182-L186 VanDerWaalsContact O-CG 3.23Å; A182-L186 WeakPolarHBondContact O-CG 3.3Å; A182-L186 PolarHBondContact O-N 3.05Å |
| 183 | V | 90 | Very high | 87.2 | Confident | 9 Ų | 9 | 45.5 Ų | 45.5 | 6% | 0.055 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57 | -53.1 | 176 | 171.7 | 0 | 0 | 0 | 0 | 110.4 | I179 D180 E181 V185 L186 E187 L207 A210 L214 | I179-V183 WeakPolarHBondContact O-CG2 3.32Å; I179-V183 PolarHBondContact O-N 3.09Å; D180-V183 PolarHBondContact O-N 3.29Å; E181-V183 PolarHBondContact O-N 3.18Å; V183-V185 VanDerWaalsContact C-N 3.29Å; V183-V185 PolarHBondContact O-N 2.99Å; V183-L186 PolarHBondContact O-N 3.4Å; V183-E187 HydrophobicContact CG1-CG 4.19Å; V183-E187 WeakPolarHBondContact O-CB 3.37Å; V183-E187 WeakPolarHBondContact O-CG 3.29Å; V183-E187 PolarHBondContact O-N 3.34Å; V183-L207 HydrophobicContact CG1-CD2 4.32Å; V183-A210 HydrophobicContact CG2-CB 3.43Å; V183-A210 VanDerWaalsContact CG2-CB 3.43Å; V183-L214 HydrophobicContact CG2-CD1 3.74Å |
| 184 | N | 90.5 | Very high | 86.4 | Confident | 73 Ų | 73 | 46.5 Ų | 46.5 | 39% | 0.39 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.8 | -38.5 | -178.4 | -70.2 | -64 | 0 | 0 | 0 | 112.5 | V114 D180 E181 S188 | V114-N184 HydrophobicContact CG1-CB 3.64Å; V114-N184 HydrophobicContact CG2-CB 4.22Å; D180-N184 PolarHBondContact O-N 3.02Å; D180-N184 PolarHBondContact O-ND2 3.19Å; E181-N184 PolarHBondContact O-N 2.92Å; N184-S188 WeakPolarHBondContact O-CB 3.47Å; N184-S188 PolarHBondContact O-N 3.45Å; N184-S188 PolarHBondContact O-OG 3.46Å |
| 185 | V | 91.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.3 | -43.7 | 177 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | V114 S117 V166 I169 L173 E181 A182 V183 S188 A189 | V114-V185 HydrophobicContact CB-CG2 4.45Å; V114-V185 HydrophobicContact CG2-CG2 3.94Å; S117-V185 WeakPolarHBondContact OG-CG2 3.42Å; V166-V185 HydrophobicContact CG1-CG1 3.75Å; V166-V185 VanDerWaalsContact CG1-O 3.23Å; V166-V185 WeakPolarHBondContact CG1-O 3.37Å; V166-V185 VanDerWaalsContact O-CG1 3.3Å; V166-V185 WeakPolarHBondContact O-CG1 3.32Å; I169-V185 HydrophobicContact CB-CG1 4.24Å; I169-V185 HydrophobicContact CG2-CG1 4.04Å; L173-V185 HydrophobicContact CD1-CB 4.29Å; L173-V185 HydrophobicContact CD1-CG2 3.7Å; E181-V185 WeakPolarHBondContact O-CB 3.06Å; E181-V185 VanDerWaalsContact O-CG2 3.23Å; E181-V185 WeakPolarHBondContact O-CG2 3.28Å; E181-V185 PolarHBondContact O-N 2.64Å; A182-V185 PolarHBondContact O-N 3.18Å; V183-V185 VanDerWaalsContact C-N 3.29Å; V183-V185 PolarHBondContact O-N 2.99Å; V185-S188 WeakPolarHBondContact O-CB 3.15Å; V185-S188 PolarHBondContact O-N 2.56Å; V185-A189 PolarHBondContact O-N 2.89Å |
| 186 | L | 91.7 | Very high | 85.1 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -70.8 | -36 | 179.4 | -69.3 | 167.7 | 0 | 0 | 0 | 112.4 | Q171 A182 V183 S188 A189 L190 V203 A206 L207 | Q171-L186 HydrophobicContact CG-CD2 4.32Å; A182-L186 WeakPolarHBondContact O-CB 3.4Å; A182-L186 VanDerWaalsContact O-CG 3.23Å; A182-L186 WeakPolarHBondContact O-CG 3.3Å; A182-L186 PolarHBondContact O-N 3.05Å; V183-L186 PolarHBondContact O-N 3.4Å; L186-S188 VanDerWaalsContact C-N 3.32Å; L186-A189 WeakPolarHBondContact O-CB 3.47Å; L186-A189 PolarHBondContact O-N 3.49Å; L186-A189 VanDerWaalsContact O-N 3.13Å; L186-L190 PolarHBondContact O-N 2.92Å; L186-V203 HydrophobicContact CB-CG1 4.25Å; L186-V203 HydrophobicContact CD2-CG1 4.19Å; L186-V203 WeakPolarHBondContact O-CG1 3.08Å; L186-A206 HydrophobicContact CD1-CB 3.63Å; L186-A206 HydrophobicContact CD2-CB 4.05Å; L186-L207 HydrophobicContact CB-CD1 4.3Å; L186-L207 HydrophobicContact CB-CD2 3.55Å; L186-L207 HydrophobicContact CB-CG 3.68Å; L186-L207 HydrophobicContact CD1-CD2 4.38Å; L186-L207 HydrophobicContact CD1-CG 4.36Å |
| 187 | E | 90.4 | Very high | 84.9 | Confident | 64 Ų | 64 | 50 Ų | 50 | 30% | 0.299 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.2 | -40.4 | 170.6 | -74.5 | -177.1 | 165.7 | 0 | 0 | 111 | V183 A189 L190 Q191 L207 H211 | V183-E187 HydrophobicContact CG1-CG 4.19Å; V183-E187 WeakPolarHBondContact O-CB 3.37Å; V183-E187 WeakPolarHBondContact O-CG 3.29Å; V183-E187 PolarHBondContact O-N 3.34Å; E187-A189 VanDerWaalsContact C-N 3.26Å; E187-A189 PolarHBondContact O-N 3Å; E187-L190 PolarHBondContact O-N 3.3Å; E187-Q191 PolarHBondContact O-N 3.11Å; E187-L207 HydrophobicContact CG-CD2 3.84Å; E187-H211 IonicContact OE1-NE2 2.77Å |
| 188 | S | 89.3 | Confident | 84.6 | Confident | 11 Ų | 11 | 51.5 Ų | 51.5 | 8% | 0.077 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.7 | -36.9 | 171.8 | -58.8 | 0 | 0 | 0 | 0 | 111.4 | N184 V185 L186 Q191 I192 | N184-S188 WeakPolarHBondContact O-CB 3.47Å; N184-S188 PolarHBondContact O-N 3.45Å; N184-S188 PolarHBondContact O-OG 3.46Å; V185-S188 WeakPolarHBondContact O-CB 3.15Å; V185-S188 PolarHBondContact O-N 2.56Å; L186-S188 VanDerWaalsContact C-N 3.32Å; S188-Q191 PolarHBondContact O-N 2.87Å; S188-I192 WeakPolarHBondContact O-CG1 3.11Å; S188-I192 PolarHBondContact O-N 3.09Å |
| 189 | A | 89.8 | Confident | 84.4 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.1 | -40 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F163 V166 V185 L186 E187 Q191 I192 V203 | F163-A189 WeakPolarHBondContact CD2-O 3.31Å; F163-A189 WeakPolarHBondContact CE2-O 3.43Å; V166-A189 HydrophobicContact CB-CB 4.33Å; V166-A189 HydrophobicContact CG1-CB 3.87Å; V185-A189 PolarHBondContact O-N 2.89Å; L186-A189 WeakPolarHBondContact O-CB 3.47Å; L186-A189 PolarHBondContact O-N 3.49Å; L186-A189 VanDerWaalsContact O-N 3.13Å; E187-A189 VanDerWaalsContact C-N 3.26Å; E187-A189 PolarHBondContact O-N 3Å; A189-Q191 PolarHBondContact O-N 3.24Å; A189-I192 PolarHBondContact O-N 3.43Å; A189-I192 VanDerWaalsContact O-N 3.13Å; A189-V203 HydrophobicContact CB-CG1 4.26Å; A189-V203 HydrophobicContact CB-CG2 4.47Å |
| 190 | L | 86.9 | Confident | 84.3 | Confident | 51 Ų | 51 | 54.7 Ų | 54.7 | 27% | 0.267 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.3 | -28.9 | 175.9 | -76.3 | -177.1 | 0 | 0 | 0 | 113.2 | L186 E187 I192 V203 L204 L207 Y223 | L186-L190 PolarHBondContact O-N 2.92Å; E187-L190 PolarHBondContact O-N 3.3Å; L190-I192 VanDerWaalsContact C-N 3.3Å; L190-V203 HydrophobicContact CD2-CB 4.12Å; L190-V203 HydrophobicContact CD2-CG1 3.78Å; L190-V203 HydrophobicContact CG-CG1 3.74Å; L190-L204 HydrophobicContact CD1-CD2 4Å; L190-L204 HydrophobicContact CD2-CD2 4.15Å; L190-L204 HydrophobicContact CD2-CG 4.27Å; L190-L207 HydrophobicContact CD1-CD1 3.19Å; L190-L207 HydrophobicContact CG-CD1 3.8Å; L190-Y223 HydrophobicContact CD1-CE1 4.17Å |
| 191 | Q | 85.7 | Confident | 84.2 | Confident | 137 Ų | 137 | 50.4 Ų | 50.4 | 64% | 0.64 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -76.2 | -16.4 | 176.3 | -67.5 | -179.1 | 7.1 | 0 | 0 | 113.3 | A121 E187 S188 A189 D193 | A121-Q191 HydrophobicContact CB-CB 4.1Å; E187-Q191 PolarHBondContact O-N 3.11Å; S188-Q191 PolarHBondContact O-N 2.87Å; A189-Q191 PolarHBondContact O-N 3.24Å; Q191-D193 PolarHBondContact O-N 3.33Å |
| 192 | I | 84.7 | Confident | 84.1 | Confident | 7 Ų | 7 | 50.9 Ų | 50.9 | 4% | 0.036 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -83 | 116 | 176 | -60.9 | 167.5 | 0 | 0 | 0 | 108.6 | L120 A121 P124 A162 F163 V166 S188 A189 L190 S194 | L120-I192 HydrophobicContact CB-CD1 4.44Å; A121-I192 HydrophobicContact CB-CG1 4.47Å; P124-I192 HydrophobicContact CB-CG2 4.01Å; P124-I192 HydrophobicContact CG-CG1 4.36Å; P124-I192 HydrophobicContact CG-CG2 4.2Å; A162-I192 HydrophobicContact CB-CD1 4.09Å; F163-I192 HydrophobicContact CB-CB 4.34Å; F163-I192 HydrophobicContact CB-CG2 3.87Å; F163-I192 HydrophobicContact CD2-CB 4.34Å; V166-I192 HydrophobicContact CB-CD1 4.29Å; V166-I192 HydrophobicContact CG2-CD1 4.01Å; S188-I192 WeakPolarHBondContact O-CG1 3.11Å; S188-I192 PolarHBondContact O-N 3.09Å; A189-I192 PolarHBondContact O-N 3.43Å; A189-I192 VanDerWaalsContact O-N 3.13Å; L190-I192 VanDerWaalsContact C-N 3.3Å; I192-S194 PolarHBondContact O-N 3.28Å |
| 193 | D | 73.7 | Confident | 84 | Confident | 156 Ų | 156 | 51 Ų | 51 | 83% | 0.834 | 28% | 0.28 | S | S | * | . | trans | -57 | 113.6 | 178 | -80.6 | -29.3 | 0 | 0 | 0 | 111.8 | Q191 | Q191-D193 PolarHBondContact O-N 3.33Š| ||
| 194 | S | 72.1 | Confident | 84.1 | Confident | 22 Ų | 22 | 50.9 Ų | 50.9 | 15% | 0.154 | 28% | 0.28 | C | S | . | . | trans | -120.4 | 136.6 | 171.4 | 174.8 | 0 | 0 | 0 | 0 | 109.7 | I192 S196 K200 | I192-S194 PolarHBondContact O-N 3.28Å; S194-S196 VanDerWaalsContact C-N 3.3Å; S194-S196 PolarHBondContact OG-N 2.83Å; S194-K200 VanDerWaalsContact O-CE 3.29Å; S194-K200 WeakPolarHBondContact O-CE 3.33Å | ||
| 195 | T | 65.6 | Low | 83.9 | Confident | 153 Ų | 153 | 49 Ų | 49 | 94% | 0.939 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -76.6 | -15.3 | 177.7 | 50.2 | 0 | 0 | 0 | 0 | 113.2 | ||
| 196 | S | 79.1 | Confident | 83.8 | Confident | 35 Ų | 35 | 49.5 Ų | 49.5 | 25% | 0.245 | 28% | 0.277 | C | S | . | . | trans | -95.3 | 114.4 | -174.1 | -176 | 0 | 0 | 0 | 0 | 112.2 | S194 T198 L199 K200 | S194-S196 VanDerWaalsContact C-N 3.3Å; S194-S196 PolarHBondContact OG-N 2.83Å; S196-T198 VanDerWaalsContact C-N 3.31Å; S196-T198 PolarHBondContact O-N 3.35Å; S196-T198 PolarHBondContact OG-OG1 3.11Å; S196-L199 PolarHBondContact O-N 3.32Å; S196-K200 PolarHBondContact O-N 3.06Å | ||
| 197 | L | 79.8 | Confident | 83.8 | Confident | 84 Ų | 84 | 49.5 Ų | 49.5 | 44% | 0.44 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.2 | -36.3 | 173.7 | -70 | 174.4 | 0 | 0 | 0 | 112.2 | L199 K200 Q201 I230 L234 | L197-L199 VanDerWaalsContact C-N 3.3Å; L197-L199 PolarHBondContact O-N 3.48Å; L197-K200 PolarHBondContact O-N 2.84Å; L197-Q201 WeakPolarHBondContact O-CB 3.49Å; L197-Q201 PolarHBondContact O-N 3.07Å; L197-I230 HydrophobicContact CB-CG2 4.15Å; L197-L234 HydrophobicContact CB-CD1 4.26Å; L197-L234 HydrophobicContact CB-CD2 4.22Å; L197-L234 HydrophobicContact CD1-CD2 4.32Å |
| 198 | T | 77.1 | Confident | 83.8 | Confident | 81 Ų | 81 | 46.7 Ų | 46.7 | 50% | 0.497 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.2 | -37.7 | 178.1 | 56.9 | 0 | 0 | 0 | 0 | 111.9 | S196 Q201 S202 L234 | S196-T198 VanDerWaalsContact C-N 3.31Å; S196-T198 PolarHBondContact O-N 3.35Å; S196-T198 PolarHBondContact OG-OG1 3.11Å; T198-Q201 WeakPolarHBondContact O-CB 3.3Å; T198-Q201 PolarHBondContact O-N 3.04Å; T198-S202 PolarHBondContact O-N 3.37Å; T198-L234 HydrophobicContact CG2-CD1 3.67Å |
| 199 | L | 81.7 | Confident | 83.7 | Confident | 58 Ų | 58 | 48.7 Ų | 48.7 | 30% | 0.304 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -69.9 | -40.4 | 177.1 | -71.2 | -176.4 | 0 | 0 | 0 | 111.6 | F163 L164 S196 L197 Q201 S202 V203 | F163-L199 HydrophobicContact CD1-CB 4.44Å; F163-L199 HydrophobicContact CD1-CD1 4.41Å; F163-L199 HydrophobicContact CE1-CB 3.62Å; F163-L199 HydrophobicContact CE1-CD1 4.35Å; F163-L199 HydrophobicContact CE1-CG 4.49Å; F163-L199 HydrophobicContact CZ-CB 4.12Å; L164-L199 HydrophobicContact CD2-CD1 3.81Å; L164-L199 HydrophobicContact CD2-CD2 3.75Å; L164-L199 HydrophobicContact CD2-CG 4.41Å; L164-L199 HydrophobicContact CG-CD1 4.44Å; S196-L199 PolarHBondContact O-N 3.32Å; L197-L199 VanDerWaalsContact C-N 3.3Å; L197-L199 PolarHBondContact O-N 3.48Å; L199-Q201 VanDerWaalsContact C-N 3.31Å; L199-Q201 PolarHBondContact O-N 3.19Å; L199-S202 PolarHBondContact O-N 3.07Å; L199-V203 PolarHBondContact O-N 2.73Å |
| 200 | K | 84.9 | Confident | 83.6 | Confident | 63 Ų | 63 | 48.7 Ų | 48.7 | 27% | 0.274 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62 | -40 | 173.3 | -72.1 | -173.5 | 177.1 | -176.8 | 0 | 111.7 | S194 S196 L197 S202 V203 L204 | S194-K200 VanDerWaalsContact O-CE 3.29Å; S194-K200 WeakPolarHBondContact O-CE 3.33Å; S196-K200 PolarHBondContact O-N 3.06Å; L197-K200 PolarHBondContact O-N 2.84Å; K200-S202 VanDerWaalsContact C-N 3.32Å; K200-S202 PolarHBondContact O-N 3.37Å; K200-V203 PolarHBondContact O-N 2.93Å; K200-V203 VanDerWaalsContact O-N 3.14Å; K200-L204 WeakPolarHBondContact O-CG 3.48Å; K200-L204 PolarHBondContact O-N 2.84Å |
| 201 | Q | 85.1 | Confident | 83.8 | Confident | 9 Ų | 9 | 46.5 Ų | 46.5 | 4% | 0.042 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.1 | -43.2 | 177.1 | -164.9 | -174.1 | -3.9 | 0 | 0 | 112.5 | L197 T198 L199 V203 L204 S205 D227 I230 | L197-Q201 WeakPolarHBondContact O-CB 3.49Å; L197-Q201 PolarHBondContact O-N 3.07Å; T198-Q201 WeakPolarHBondContact O-CB 3.3Å; T198-Q201 PolarHBondContact O-N 3.04Å; L199-Q201 VanDerWaalsContact C-N 3.31Å; L199-Q201 PolarHBondContact O-N 3.19Å; Q201-V203 VanDerWaalsContact C-N 3.32Å; Q201-V203 PolarHBondContact O-N 3.41Å; Q201-L204 PolarHBondContact O-N 3.39Å; Q201-S205 PolarHBondContact O-N 3.03Å; Q201-D227 WeakPolarHBondContact CG-OD1 3.49Å; Q201-D227 PolarHBondContact NE2-OD1 3.16Å; Q201-I230 HydrophobicContact CB-CG2 4Å; Q201-I230 HydrophobicContact CG-CB 4.5Å; Q201-I230 HydrophobicContact CG-CG2 4.19Å |
| 202 | S | 86.5 | Confident | 83.7 | Confident | 56 Ų | 56 | 44.4 Ų | 44.4 | 39% | 0.392 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.6 | -38.3 | 176.7 | -177.7 | 0 | 0 | 0 | 0 | 112.7 | Q171 T198 L199 K200 A206 | Q171-S202 PolarHBondContact NE2-OG 3.09Å; T198-S202 PolarHBondContact O-N 3.37Å; L199-S202 PolarHBondContact O-N 3.07Å; K200-S202 VanDerWaalsContact C-N 3.32Å; K200-S202 PolarHBondContact O-N 3.37Å; S202-A206 PolarHBondContact O-N 3.22Å; S202-A206 VanDerWaalsContact O-N 3.14Å |
| 203 | V | 89.2 | Confident | 83.7 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -70.1 | -42.7 | 177 | -180 | 0 | 0 | 0 | 0 | 111.2 | F163 S167 L186 A189 L190 L199 K200 Q201 S205 A206 L207 | F163-V203 HydrophobicContact CE1-CG2 4.22Å; F163-V203 HydrophobicContact CE2-CG2 4.22Å; F163-V203 HydrophobicContact CZ-CG2 3.55Å; S167-V203 VanDerWaalsContact OG-CG2 3.28Å; S167-V203 WeakPolarHBondContact OG-CG2 3.43Å; L186-V203 HydrophobicContact CB-CG1 4.25Å; L186-V203 HydrophobicContact CD2-CG1 4.19Å; L186-V203 WeakPolarHBondContact O-CG1 3.08Å; A189-V203 HydrophobicContact CB-CG1 4.26Å; A189-V203 HydrophobicContact CB-CG2 4.47Å; L190-V203 HydrophobicContact CD2-CB 4.12Å; L190-V203 HydrophobicContact CD2-CG1 3.78Å; L190-V203 HydrophobicContact CG-CG1 3.74Å; L199-V203 PolarHBondContact O-N 2.73Å; K200-V203 PolarHBondContact O-N 2.93Å; K200-V203 VanDerWaalsContact O-N 3.14Å; Q201-V203 VanDerWaalsContact C-N 3.32Å; Q201-V203 PolarHBondContact O-N 3.41Å; V203-S205 VanDerWaalsContact C-N 3.33Å; V203-S205 PolarHBondContact O-N 2.97Å; V203-A206 PolarHBondContact O-N 2.9Å; V203-A206 VanDerWaalsContact O-N 3.12Å; V203-L207 HydrophobicContact CG1-CD1 4.08Å; V203-L207 PolarHBondContact O-N 3.36Å |
| 204 | L | 90.7 | Very high | 84.2 | Confident | 8 Ų | 8 | 42.3 Ų | 42.3 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.3 | -40.5 | 176.4 | -68.9 | 167.6 | 0 | 0 | 0 | 112 | L190 K200 Q201 A206 L207 S208 Y223 Q226 D227 I230 | L190-L204 HydrophobicContact CD1-CD2 4Å; L190-L204 HydrophobicContact CD2-CD2 4.15Å; L190-L204 HydrophobicContact CD2-CG 4.27Å; K200-L204 WeakPolarHBondContact O-CG 3.48Å; K200-L204 PolarHBondContact O-N 2.84Å; Q201-L204 PolarHBondContact O-N 3.39Å; L204-A206 VanDerWaalsContact C-N 3.33Å; L204-A206 PolarHBondContact O-N 3.4Å; L204-L207 PolarHBondContact O-N 3.34Å; L204-S208 PolarHBondContact O-N 3.49Å; L204-S208 PolarHBondContact O-OG 3.1Å; L204-Y223 HydrophobicContact CD2-CD1 3.57Å; L204-Y223 HydrophobicContact CD2-CE1 4.22Å; L204-Q226 HydrophobicContact CD1-CB 4.13Å; L204-Q226 HydrophobicContact CD2-CB 4.5Å; L204-D227 HydrophobicContact CB-CB 4.27Å; L204-I230 HydrophobicContact CD1-CD1 3.38Å |
| 205 | S | 87.5 | Confident | 84.7 | Confident | 32 Ų | 32 | 43.2 Ų | 43.2 | 22% | 0.224 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63 | -37.6 | 173.2 | -177.8 | 0 | 0 | 0 | 0 | 112.9 | Q201 V203 S208 S209 R242 | Q201-S205 PolarHBondContact O-N 3.03Å; V203-S205 VanDerWaalsContact C-N 3.33Å; V203-S205 PolarHBondContact O-N 2.97Å; S205-S208 PolarHBondContact O-OG 3Å; S205-S209 PolarHBondContact O-N 3.15Å; S205-R242 PolarHBondContact OG-NH1 2.95Å |
| 206 | A | 89.3 | Confident | 85.7 | Confident | 12 Ų | 12 | 39.7 Ų | 39.7 | 10% | 0.099 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -71.7 | -40.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q171 L174 L186 S202 V203 L204 S209 A210 | Q171-A206 HydrophobicContact CG-CB 4.01Å; L174-A206 WeakPolarHBondContact CD1-O 3.33Å; L186-A206 HydrophobicContact CD1-CB 3.63Å; L186-A206 HydrophobicContact CD2-CB 4.05Å; S202-A206 PolarHBondContact O-N 3.22Å; S202-A206 VanDerWaalsContact O-N 3.14Å; V203-A206 PolarHBondContact O-N 2.9Å; V203-A206 VanDerWaalsContact O-N 3.12Å; L204-A206 VanDerWaalsContact C-N 3.33Å; L204-A206 PolarHBondContact O-N 3.4Å; A206-S209 PolarHBondContact O-N 2.92Å; A206-A210 WeakPolarHBondContact O-CB 3.28Å; A206-A210 PolarHBondContact O-N 3.09Å |
| 207 | L | 91 | Very high | 86 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.8 | -41.5 | 175.4 | -81 | 166.9 | 0 | 0 | 0 | 112.7 | V183 L186 E187 L190 V203 L204 S209 A210 H211 Y223 | V183-L207 HydrophobicContact CG1-CD2 4.32Å; L186-L207 HydrophobicContact CB-CD1 4.3Å; L186-L207 HydrophobicContact CB-CD2 3.55Å; L186-L207 HydrophobicContact CB-CG 3.68Å; L186-L207 HydrophobicContact CD1-CD2 4.38Å; L186-L207 HydrophobicContact CD1-CG 4.36Å; E187-L207 HydrophobicContact CG-CD2 3.84Å; L190-L207 HydrophobicContact CD1-CD1 3.19Å; L190-L207 HydrophobicContact CG-CD1 3.8Å; V203-L207 HydrophobicContact CG1-CD1 4.08Å; V203-L207 PolarHBondContact O-N 3.36Å; L204-L207 PolarHBondContact O-N 3.34Å; L207-S209 VanDerWaalsContact C-N 3.34Å; L207-S209 PolarHBondContact O-N 3.36Å; L207-A210 WeakPolarHBondContact O-CB 3.33Å; L207-A210 PolarHBondContact O-N 3.32Å; L207-H211 PolarHBondContact O-CD2 3.09Å; L207-H211 PolarHBondContact O-N 3.19Å; L207-Y223 HydrophobicContact CB-CD2 4.2Å; L207-Y223 HydrophobicContact CB-CE2 4.49Å; L207-Y223 HydrophobicContact CB-CG 4.27Å; L207-Y223 HydrophobicContact CD1-CE1 4.26Å |
| 208 | S | 89.4 | Confident | 86.2 | Confident | 5 Ų | 5 | 44.2 Ų | 44.2 | 4% | 0.035 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.3 | -44 | 176.2 | 68.7 | 0 | 0 | 0 | 0 | 111.6 | L204 S205 A210 H211 W212 S220 | L204-S208 PolarHBondContact O-N 3.49Å; L204-S208 PolarHBondContact O-OG 3.1Å; S205-S208 PolarHBondContact O-OG 3Å; S208-A210 VanDerWaalsContact C-N 3.31Å; S208-A210 PolarHBondContact O-N 3.2Å; S208-H211 PolarHBondContact O-N 3.49Å; S208-W212 VanDerWaalsContact O-CB 3.31Å; S208-W212 WeakPolarHBondContact O-CB 3.46Å; S208-W212 PolarHBondContact O-N 3.04Å; S208-S220 PolarHBondContact O-OG 3.46Å; S208-S220 VanDerWaalsContact O-OG 3.11Å |
| 209 | S | 87.4 | Confident | 86.7 | Confident | 53 Ų | 53 | 43.3 Ų | 43.3 | 37% | 0.371 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.6 | -36.8 | 174.2 | -178.9 | 0 | 0 | 0 | 0 | 112.6 | S205 A206 L207 W212 S213 | S205-S209 PolarHBondContact O-N 3.15Å; A206-S209 PolarHBondContact O-N 2.92Å; L207-S209 VanDerWaalsContact C-N 3.34Å; L207-S209 PolarHBondContact O-N 3.36Å; S209-W212 WeakPolarHBondContact O-CB 3.18Å; S209-S213 PolarHBondContact O-N 3.35Å; S209-S213 VanDerWaalsContact O-N 3.11Å; S209-S213 PolarHBondContact O-OG 3.28Å |
| 210 | A | 88.8 | Confident | 87 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66 | -51.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L174 I179 V183 A206 L207 S208 W212 S213 L214 | L174-A210 HydrophobicContact CD1-CB 3.53Å; I179-A210 HydrophobicContact CG2-CB 4.36Å; I179-A210 WeakPolarHBondContact CG2-O 3.45Å; V183-A210 HydrophobicContact CG2-CB 3.43Å; V183-A210 VanDerWaalsContact CG2-CB 3.43Å; A206-A210 WeakPolarHBondContact O-CB 3.28Å; A206-A210 PolarHBondContact O-N 3.09Å; L207-A210 WeakPolarHBondContact O-CB 3.33Å; L207-A210 PolarHBondContact O-N 3.32Å; S208-A210 VanDerWaalsContact C-N 3.31Å; S208-A210 PolarHBondContact O-N 3.2Å; A210-W212 VanDerWaalsContact C-N 3.31Å; A210-W212 PolarHBondContact O-N 2.86Å; A210-S213 WeakPolarHBondContact O-CB 3.45Å; A210-S213 PolarHBondContact O-N 3.35Å; A210-L214 PolarHBondContact O-N 3.3Å |
| 211 | H | 90.3 | Very high | 87.1 | Confident | 5 Ų | 5 | 38.4 Ų | 38.4 | 2% | 0.023 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.6 | -33.4 | 177.6 | -77.5 | -63.9 | 0 | 0 | 0 | 113.1 | E187 L207 S208 S213 L214 G215 N216 L219 Y223 | E187-H211 IonicContact OE1-NE2 2.77Å; L207-H211 PolarHBondContact O-CD2 3.09Å; L207-H211 PolarHBondContact O-N 3.19Å; S208-H211 PolarHBondContact O-N 3.49Å; H211-S213 VanDerWaalsContact C-N 3.31Å; H211-L214 PolarHBondContact O-N 3.18Å; H211-G215 PolarHBondContact O-N 3.44Å; H211-N216 HydrophobicContact CB-CB 4.18Å; H211-N216 PolarHBondContact O-N 3.06Å; H211-L219 HydrophobicContact CB-CB 4.35Å; H211-Y223 AromaticContact CD2-CD2 3.56Å; H211-Y223 AromaticContact CD2-CE2 3.35Å; H211-Y223 WeakPolarHBondContact CD2-CE2 3.48Å; H211-Y223 AromaticContact NE2-CE2 3.39Å; H211-Y223 WeakPolarHBondContact NE2-CE2 3.49Å |
| 212 | W | 84.8 | Confident | 87.3 | Confident | 92 Ų | 92 | 42.9 Ų | 42.9 | 35% | 0.348 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -57.5 | -47 | 169.7 | 178.4 | -87.2 | 0 | 0 | 0 | 111.4 | S208 S209 A210 L214 G215 L250 K253 | S208-W212 VanDerWaalsContact O-CB 3.31Å; S208-W212 WeakPolarHBondContact O-CB 3.46Å; S208-W212 PolarHBondContact O-N 3.04Å; S209-W212 WeakPolarHBondContact O-CB 3.18Å; A210-W212 VanDerWaalsContact C-N 3.31Å; A210-W212 PolarHBondContact O-N 2.86Å; W212-L214 VanDerWaalsContact C-N 3.29Å; W212-L214 PolarHBondContact O-N 3.26Å; W212-G215 PolarHBondContact O-N 3.23Å; W212-G215 VanDerWaalsContact O-N 3.1Å; W212-L250 HydrophobicContact CE3-CB 4.33Å; W212-L250 HydrophobicContact CE3-CD1 3.72Å; W212-L250 HydrophobicContact CE3-CG 4.44Å; W212-L250 HydrophobicContact CH2-CB 4.48Å; W212-L250 HydrophobicContact CH2-CD1 4.46Å; W212-L250 HydrophobicContact CZ3-CB 3.59Å; W212-L250 HydrophobicContact CZ3-CD1 3.32Å; W212-L250 HydrophobicContact CZ3-CG 3.95Å; W212-K253 HydrophobicContact CH2-CB 3.94Å; W212-K253 HydrophobicContact CH2-CD 3.43Å; W212-K253 VanDerWaalsContact CH2-CD 3.43Å; W212-K253 HydrophobicContact CH2-CG 4.32Å; W212-K253 HydrophobicContact CZ2-CD 3.67Å; W212-K253 HydrophobicContact CZ3-CB 4.47Å; W212-K253 HydrophobicContact CZ3-CD 4.02Å |
| 213 | S | 84.1 | Confident | 87.5 | Confident | 64 Ų | 64 | 41.9 Ų | 41.9 | 45% | 0.448 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -69 | -27.2 | -178.4 | -52.5 | 0 | 0 | 0 | 0 | 112.5 | S209 A210 H211 G215 | S209-S213 PolarHBondContact O-N 3.35Å; S209-S213 VanDerWaalsContact O-N 3.11Å; S209-S213 PolarHBondContact O-OG 3.28Å; A210-S213 WeakPolarHBondContact O-CB 3.45Å; A210-S213 PolarHBondContact O-N 3.35Å; H211-S213 VanDerWaalsContact C-N 3.31Å; S213-G215 VanDerWaalsContact C-N 3.34Å |
| 214 | L | 84.5 | Confident | 87.6 | Confident | 55 Ų | 55 | 42 Ų | 42 | 29% | 0.288 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -7.6 | 172 | -66.3 | 178.3 | 0 | 0 | 0 | 114.3 | I179 D180 V183 A210 H211 W212 N216 | I179-L214 HydrophobicContact CB-CD2 4.1Å; I179-L214 HydrophobicContact CG2-CD1 4.25Å; I179-L214 HydrophobicContact CG2-CD2 3.64Å; I179-L214 HydrophobicContact CG2-CG 3.58Å; D180-L214 WeakPolarHBondContact OD1-CD2 2.95Å; V183-L214 HydrophobicContact CG2-CD1 3.74Å; A210-L214 PolarHBondContact O-N 3.3Å; H211-L214 PolarHBondContact O-N 3.18Å; W212-L214 VanDerWaalsContact C-N 3.29Å; W212-L214 PolarHBondContact O-N 3.26Å; L214-N216 VanDerWaalsContact C-N 3.28Å; L214-N216 PolarHBondContact O-N 3.43Å |
| 215 | G | 82.6 | Confident | 87.6 | Confident | 42 Ų | 42 | 46.4 Ų | 46.4 | 43% | 0.433 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | 8.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | H211 W212 S213 E217 | H211-G215 PolarHBondContact O-N 3.44Å; W212-G215 PolarHBondContact O-N 3.23Å; W212-G215 VanDerWaalsContact O-N 3.1Å; S213-G215 VanDerWaalsContact C-N 3.34Å; G215-E217 PolarHBondContact O-N 3.26Å |
| 216 | N | 86.3 | Confident | 87.7 | Confident | 79 Ų | 79 | 49.5 Ų | 49.5 | 42% | 0.422 | 26% | 0.257 | S | S | . | . | trans | -83.1 | 65.7 | 176.5 | -77.4 | -20.8 | 0 | 0 | 0 | 111.2 | H211 L214 K218 L219 S220 | H211-N216 HydrophobicContact CB-CB 4.18Å; H211-N216 PolarHBondContact O-N 3.06Å; L214-N216 VanDerWaalsContact C-N 3.28Å; L214-N216 PolarHBondContact O-N 3.43Å; N216-K218 VanDerWaalsContact C-N 3.31Å; N216-K218 PolarHBondContact O-N 2.96Å; N216-L219 HydrophobicContact CB-CD1 4.47Å; N216-L219 PolarHBondContact O-N 3.38Å; N216-S220 PolarHBondContact O-N 3.14Å | ||
| 217 | E | 84.6 | Confident | 87.7 | Confident | 46 Ų | 46 | 49 Ų | 49 | 22% | 0.215 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.3 | -36.7 | -171.7 | -66.3 | 174.1 | 179.6 | 0 | 0 | 113.7 | G215 S220 L221 L250 K253 L254 | G215-E217 PolarHBondContact O-N 3.26Å; E217-S220 WeakPolarHBondContact O-CB 3.08Å; E217-S220 PolarHBondContact O-N 3.39Å; E217-L221 WeakPolarHBondContact O-CB 3.1Å; E217-L221 PolarHBondContact O-N 2.96Å; E217-L250 HydrophobicContact CB-CD1 3.95Å; E217-L250 HydrophobicContact CG-CD1 4.24Å; E217-K253 WeakPolarHBondContact OE1-CD 3.41Å; E217-K253 WeakPolarHBondContact OE1-CE 3.39Å; E217-K253 IonicContact OE1-NZ 2.67Å; E217-K253 PolarHBondContact OE1-NZ 3.08Å; E217-L254 HydrophobicContact CB-CD2 3.81Å; E217-L254 HydrophobicContact CB-CG 4.32Å; E217-L254 WeakPolarHBondContact OE2-CD2 3.35Å |
| 218 | K | 84.7 | Confident | 87.7 | Confident | 167 Ų | 167 | 49.8 Ų | 49.8 | 73% | 0.726 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -62.8 | -44.7 | 177.9 | -69.2 | -177.2 | 179.2 | 178.1 | 0 | 112.5 | N216 L221 Q222 | N216-K218 VanDerWaalsContact C-N 3.31Å; N216-K218 PolarHBondContact O-N 2.96Å; K218-L221 WeakPolarHBondContact O-CB 3.39Å; K218-L221 PolarHBondContact O-N 3.49Å; K218-Q222 WeakPolarHBondContact O-CG 3.47Å; K218-Q222 PolarHBondContact O-N 3.16Å |
| 219 | L | 86.7 | Confident | 87.7 | Confident | 63 Ų | 63 | 51.8 Ų | 51.8 | 33% | 0.33 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -71.2 | -40.2 | 178 | -71.4 | 173.4 | 0 | 0 | 0 | 110.7 | H211 N216 L221 Q222 Y223 | H211-L219 HydrophobicContact CB-CB 4.35Å; N216-L219 HydrophobicContact CB-CD1 4.47Å; N216-L219 PolarHBondContact O-N 3.38Å; L219-L221 PolarHBondContact O-N 2.98Å; L219-Q222 PolarHBondContact O-N 3.22Å; L219-Y223 HydrophobicContact CB-CD2 4.46Å; L219-Y223 HydrophobicContact CB-CE2 4.26Å; L219-Y223 WeakPolarHBondContact O-CD2 3.47Å; L219-Y223 PolarHBondContact O-N 3.19Å |
| 220 | S | 88.7 | Confident | 87.7 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.007 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -54.5 | -40.3 | 172.1 | -175.7 | 0 | 0 | 0 | 0 | 111.8 | S208 N216 E217 L224 | S208-S220 PolarHBondContact O-OG 3.46Å; S208-S220 VanDerWaalsContact O-OG 3.11Å; N216-S220 PolarHBondContact O-N 3.14Å; E217-S220 WeakPolarHBondContact O-CB 3.08Å; E217-S220 PolarHBondContact O-N 3.39Å; S220-L224 WeakPolarHBondContact O-CB 2.88Å; S220-L224 WeakPolarHBondContact O-CG 3.35Å; S220-L224 PolarHBondContact O-N 3.03Å; S220-L224 VanDerWaalsContact O-N 3.11Å |
| 221 | L | 87.4 | Confident | 87.6 | Confident | 17 Ų | 17 | 50.4 Ų | 50.4 | 9% | 0.089 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.2 | -46.8 | 178.9 | -172.9 | 70.1 | 0 | 0 | 0 | 111.1 | E217 K218 L219 L224 Q225 L247 L250 L254 | E217-L221 WeakPolarHBondContact O-CB 3.1Å; E217-L221 PolarHBondContact O-N 2.96Å; K218-L221 WeakPolarHBondContact O-CB 3.39Å; K218-L221 PolarHBondContact O-N 3.49Å; L219-L221 PolarHBondContact O-N 2.98Å; L221-L224 PolarHBondContact O-N 3.45Å; L221-Q225 WeakPolarHBondContact O-CG 3.04Å; L221-Q225 PolarHBondContact O-N 3.15Å; L221-L247 HydrophobicContact CD1-CD2 3.79Å; L221-L250 HydrophobicContact CB-CD2 3.63Å; L221-L250 HydrophobicContact CB-CG 4.45Å; L221-L250 HydrophobicContact CD1-CD2 3.73Å; L221-L250 HydrophobicContact CD1-CG 4.1Å; L221-L250 HydrophobicContact CG-CD2 4.31Å; L221-L250 VanDerWaalsContact N-CD2 3.34Å; L221-L254 HydrophobicContact CD2-CD1 4.13Å |
| 222 | Q | 89.4 | Confident | 87.6 | Confident | 102 Ų | 102 | 54.7 Ų | 54.7 | 48% | 0.477 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61 | -46.3 | 179.3 | -71.7 | 177.2 | -7.1 | 0 | 0 | 112.2 | K218 L219 L224 Q225 Q226 | K218-Q222 WeakPolarHBondContact O-CG 3.47Å; K218-Q222 PolarHBondContact O-N 3.16Å; L219-Q222 PolarHBondContact O-N 3.22Å; Q222-L224 PolarHBondContact O-N 3.34Å; Q222-Q225 PolarHBondContact O-N 2.75Å; Q222-Q226 WeakPolarHBondContact O-CG 3.44Å; Q222-Q226 PolarHBondContact O-N 2.89Å |
| 223 | Y | 91 | Very high | 87.7 | Confident | 36 Ų | 36 | 55.2 Ų | 55.2 | 14% | 0.141 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.8 | -36 | 178.6 | -69.9 | -58 | 0 | 0 | 0 | 112.7 | L190 L204 L207 H211 L219 Q226 D227 | L190-Y223 HydrophobicContact CD1-CE1 4.17Å; L204-Y223 HydrophobicContact CD2-CD1 3.57Å; L204-Y223 HydrophobicContact CD2-CE1 4.22Å; L207-Y223 HydrophobicContact CB-CD2 4.2Å; L207-Y223 HydrophobicContact CB-CE2 4.49Å; L207-Y223 HydrophobicContact CB-CG 4.27Å; L207-Y223 HydrophobicContact CD1-CE1 4.26Å; H211-Y223 AromaticContact CD2-CD2 3.56Å; H211-Y223 AromaticContact CD2-CE2 3.35Å; H211-Y223 WeakPolarHBondContact CD2-CE2 3.48Å; H211-Y223 AromaticContact NE2-CE2 3.39Å; H211-Y223 WeakPolarHBondContact NE2-CE2 3.49Å; L219-Y223 HydrophobicContact CB-CD2 4.46Å; L219-Y223 HydrophobicContact CB-CE2 4.26Å; L219-Y223 WeakPolarHBondContact O-CD2 3.47Å; L219-Y223 PolarHBondContact O-N 3.19Å; Y223-Q226 PolarHBondContact O-N 3.43Å; Y223-D227 WeakPolarHBondContact O-CB 3.49Å; Y223-D227 PolarHBondContact O-N 3.33Å |
| 224 | L | 90.6 | Very high | 87.7 | Confident | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68 | -37.7 | 174 | -85 | 163.6 | 0 | 0 | 0 | 113.2 | S220 L221 Q222 Q226 D227 L228 L247 L250 | S220-L224 WeakPolarHBondContact O-CB 2.88Å; S220-L224 WeakPolarHBondContact O-CG 3.35Å; S220-L224 PolarHBondContact O-N 3.03Å; S220-L224 VanDerWaalsContact O-N 3.11Å; L221-L224 PolarHBondContact O-N 3.45Å; Q222-L224 PolarHBondContact O-N 3.34Å; L224-Q226 VanDerWaalsContact C-N 3.34Å; L224-D227 PolarHBondContact O-N 3.39Å; L224-L228 PolarHBondContact O-N 3.24Å; L224-L247 HydrophobicContact CB-CD2 3.51Å; L224-L247 HydrophobicContact CB-CG 3.9Å; L224-L247 HydrophobicContact CD1-CD2 4.4Å; L224-L250 HydrophobicContact CD1-CD2 3.83Å |
| 225 | Q | 90.7 | Very high | 87.7 | Confident | 99 Ų | 99 | 58.2 Ų | 58.2 | 46% | 0.463 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.9 | -39.6 | 174.8 | -75.1 | 175.6 | -20.3 | 0 | 0 | 111.3 | L221 Q222 L228 A229 L247 | L221-Q225 WeakPolarHBondContact O-CG 3.04Å; L221-Q225 PolarHBondContact O-N 3.15Å; Q222-Q225 PolarHBondContact O-N 2.75Å; Q225-L228 PolarHBondContact O-N 2.71Å; Q225-A229 WeakPolarHBondContact O-CB 3.45Å; Q225-A229 PolarHBondContact O-N 3.19Å; Q225-L247 HydrophobicContact CG-CD2 4.07Å |
| 226 | Q | 89.6 | Confident | 87.9 | Confident | 98 Ų | 98 | 59.2 Ų | 59.2 | 46% | 0.458 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.8 | -40.9 | 173.7 | -69.6 | 174.6 | 10.4 | 0 | 0 | 112.1 | L204 Q222 Y223 L224 A229 I230 | L204-Q226 HydrophobicContact CD1-CB 4.13Å; L204-Q226 HydrophobicContact CD2-CB 4.5Å; Q222-Q226 WeakPolarHBondContact O-CG 3.44Å; Q222-Q226 PolarHBondContact O-N 2.89Å; Y223-Q226 PolarHBondContact O-N 3.43Å; L224-Q226 VanDerWaalsContact C-N 3.34Å; Q226-A229 PolarHBondContact O-N 3.49Å; Q226-I230 WeakPolarHBondContact O-CG1 3.4Å; Q226-I230 PolarHBondContact O-N 3.29Å |
| 227 | D | 89.5 | Confident | 87.9 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.7 | -45.7 | 174.8 | -177.9 | 2.4 | 0 | 0 | 0 | 111.6 | Q201 L204 Y223 L224 I230 A231 R242 | Q201-D227 WeakPolarHBondContact CG-OD1 3.49Å; Q201-D227 PolarHBondContact NE2-OD1 3.16Å; L204-D227 HydrophobicContact CB-CB 4.27Å; Y223-D227 WeakPolarHBondContact O-CB 3.49Å; Y223-D227 PolarHBondContact O-N 3.33Å; L224-D227 PolarHBondContact O-N 3.39Å; D227-I230 PolarHBondContact O-N 3.39Å; D227-A231 PolarHBondContact O-N 3.22Å; D227-R242 VanDerWaalsContact CG-NH2 3.27Å; D227-R242 IonicContact OD1-CZ 2.82Å; D227-R242 IonicContact OD1-NH1 2.85Å; D227-R242 IonicContact OD1-NH2 3.77Å; D227-R242 PolarHBondContact OD1-NH2 3.18Å; D227-R242 IonicContact OD2-CZ 2.85Å; D227-R242 VanDerWaalsContact OD2-CZ 3.26Å; D227-R242 IonicContact OD2-NH1 2.76Å; D227-R242 PolarHBondContact OD2-NH1 2.93Å; D227-R242 IonicContact OD2-NH2 3.73Å; D227-R242 PolarHBondContact OD2-NH2 3.37Å |
| 228 | L | 89.7 | Confident | 88 | Confident | 17 Ų | 17 | 65.5 Ų | 65.5 | 9% | 0.089 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 174.8 | -179.4 | 62.9 | 0 | 0 | 0 | 111.8 | L224 Q225 I230 A231 E232 K240 A243 R244 L247 | L224-L228 PolarHBondContact O-N 3.24Å; Q225-L228 PolarHBondContact O-N 2.71Å; L228-I230 VanDerWaalsContact C-N 3.28Å; L228-I230 PolarHBondContact O-N 3.11Å; L228-A231 WeakPolarHBondContact O-CB 3.49Å; L228-A231 PolarHBondContact O-N 2.88Å; L228-A231 VanDerWaalsContact O-N 3.13Å; L228-E232 HydrophobicContact CD1-CG 4.32Å; L228-E232 HydrophobicContact CG-CG 4.47Å; L228-E232 WeakPolarHBondContact O-CG 3.48Å; L228-E232 PolarHBondContact O-N 3.15Å; L228-K240 HydrophobicContact CD1-CG 4.49Å; L228-A243 HydrophobicContact CB-CB 3.93Å; L228-A243 HydrophobicContact CD1-CB 4.03Å; L228-R244 HydrophobicContact CD1-CG 4.04Å; L228-R244 HydrophobicContact CD2-CG 4.49Å; L228-L247 HydrophobicContact CB-CD1 4.15Å; L228-L247 HydrophobicContact CD2-CD1 3.66Å; L228-L247 HydrophobicContact CG-CD1 4.49Å |
| 229 | A | 90.1 | Very high | 88 | Confident | 47 Ų | 47 | 57.6 Ų | 57.6 | 39% | 0.388 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.9 | -40.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q225 Q226 E232 T233 | Q225-A229 WeakPolarHBondContact O-CB 3.45Å; Q225-A229 PolarHBondContact O-N 3.19Å; Q226-A229 PolarHBondContact O-N 3.49Å; A229-E232 PolarHBondContact O-N 2.89Å; A229-T233 VanDerWaalsContact O-CG2 3.32Å; A229-T233 WeakPolarHBondContact O-CG2 3.31Å; A229-T233 PolarHBondContact O-N 3.14Å; A229-T233 PolarHBondContact O-OG1 3.1Å |
| 230 | I | 87.7 | Confident | 88.1 | Confident | 25 Ų | 25 | 56.1 Ų | 56.1 | 13% | 0.128 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.7 | -45 | 174.6 | -67.2 | 167.1 | 0 | 0 | 0 | 110.7 | L197 Q201 L204 Q226 D227 L228 E232 T233 L234 | L197-I230 HydrophobicContact CB-CG2 4.15Å; Q201-I230 HydrophobicContact CB-CG2 4Å; Q201-I230 HydrophobicContact CG-CB 4.5Å; Q201-I230 HydrophobicContact CG-CG2 4.19Å; L204-I230 HydrophobicContact CD1-CD1 3.38Å; Q226-I230 WeakPolarHBondContact O-CG1 3.4Å; Q226-I230 PolarHBondContact O-N 3.29Å; D227-I230 PolarHBondContact O-N 3.39Å; L228-I230 VanDerWaalsContact C-N 3.28Å; L228-I230 PolarHBondContact O-N 3.11Å; I230-E232 VanDerWaalsContact C-N 3.26Å; I230-E232 PolarHBondContact O-N 3.1Å; I230-T233 WeakPolarHBondContact CA-OG1 3.43Å; I230-T233 PolarHBondContact O-N 3.02Å; I230-T233 VanDerWaalsContact O-N 3.14Å; I230-T233 PolarHBondContact O-OG1 3.37Å; I230-L234 HydrophobicContact CG2-CD1 3.68Å; I230-L234 HydrophobicContact CG2-CG 4.23Å; I230-L234 WeakPolarHBondContact O-CG 3.4Å; I230-L234 PolarHBondContact O-N 3.05Å |
| 231 | A | 87.3 | Confident | 88.2 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.9 | -37.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | D227 L228 D235 D236 K240 | D227-A231 PolarHBondContact O-N 3.22Å; L228-A231 WeakPolarHBondContact O-CB 3.49Å; L228-A231 PolarHBondContact O-N 2.88Å; L228-A231 VanDerWaalsContact O-N 3.13Å; A231-D235 PolarHBondContact O-N 3.06Å; A231-D235 VanDerWaalsContact O-N 3.11Å; A231-D236 PolarHBondContact O-N 3.49Å; A231-K240 HydrophobicContact CB-CG 4.02Å |
| 232 | E | 88.6 | Confident | 88.2 | Confident | 94 Ų | 94 | 59.6 Ų | 59.6 | 44% | 0.439 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.6 | -42.1 | 174.7 | -72.3 | 175.8 | 168.7 | 0 | 0 | 112 | L228 A229 I230 L234 D235 K240 R244 | L228-E232 HydrophobicContact CD1-CG 4.32Å; L228-E232 HydrophobicContact CG-CG 4.47Å; L228-E232 WeakPolarHBondContact O-CG 3.48Å; L228-E232 PolarHBondContact O-N 3.15Å; A229-E232 PolarHBondContact O-N 2.89Å; I230-E232 VanDerWaalsContact C-N 3.26Å; I230-E232 PolarHBondContact O-N 3.1Å; E232-L234 VanDerWaalsContact C-N 3.31Å; E232-L234 PolarHBondContact O-N 3.36Å; E232-D235 PolarHBondContact O-N 2.96Å; E232-K240 HydrophobicContact CG-CD 4.49Å; E232-K240 HydrophobicContact CG-CG 4.34Å; E232-R244 IonicContact OE1-NH2 3.95Å |
| 233 | T | 88.2 | Confident | 88.2 | Confident | 104 Ų | 104 | 54.7 Ų | 54.7 | 64% | 0.638 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -67.4 | -29.4 | 176.2 | 59.9 | 0 | 0 | 0 | 0 | 114 | A229 I230 | A229-T233 VanDerWaalsContact O-CG2 3.32Å; A229-T233 WeakPolarHBondContact O-CG2 3.31Å; A229-T233 PolarHBondContact O-N 3.14Å; A229-T233 PolarHBondContact O-OG1 3.1Å; I230-T233 WeakPolarHBondContact CA-OG1 3.43Å; I230-T233 PolarHBondContact O-N 3.02Å; I230-T233 VanDerWaalsContact O-N 3.14Å; I230-T233 PolarHBondContact O-OG1 3.37Å |
| 234 | L | 84.7 | Confident | 88.2 | Confident | 65 Ų | 65 | 54.6 Ų | 54.6 | 34% | 0.34 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -7.2 | 178.5 | -66.9 | 175.4 | 0 | 0 | 0 | 113.2 | L197 T198 I230 E232 D236 | L197-L234 HydrophobicContact CB-CD1 4.26Å; L197-L234 HydrophobicContact CB-CD2 4.22Å; L197-L234 HydrophobicContact CD1-CD2 4.32Å; T198-L234 HydrophobicContact CG2-CD1 3.67Å; I230-L234 HydrophobicContact CG2-CD1 3.68Å; I230-L234 HydrophobicContact CG2-CG 4.23Å; I230-L234 WeakPolarHBondContact O-CG 3.4Å; I230-L234 PolarHBondContact O-N 3.05Å; E232-L234 VanDerWaalsContact C-N 3.31Å; E232-L234 PolarHBondContact O-N 3.36Å; L234-D236 HydrophobicContact CB-CB 4.37Å; L234-D236 PolarHBondContact O-N 3.2Å |
| 235 | D | 84.4 | Confident | 88.2 | Confident | 117 Ų | 117 | 58.3 Ų | 58.3 | 63% | 0.626 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 32.4 | -169.7 | -134.3 | 7.4 | 0 | 0 | 0 | 113.9 | A231 E232 I237 K240 | A231-D235 PolarHBondContact O-N 3.06Å; A231-D235 VanDerWaalsContact O-N 3.11Å; E232-D235 PolarHBondContact O-N 2.96Å; D235-I237 PolarHBondContact O-N 3.46Å; D235-K240 IonicContact OD1-NZ 3.06Å; D235-K240 PolarHBondContact OD1-NZ 3Å |
| 236 | D | 85.4 | Confident | 88.2 | Confident | 63 Ų | 63 | 55.8 Ų | 55.8 | 34% | 0.337 | 28% | 0.275 | S | S | . | . | trans | -81.4 | 97.4 | 179 | 177.2 | 13.8 | 0 | 0 | 0 | 110.6 | A231 L234 R238 G239 K240 | A231-D236 PolarHBondContact O-N 3.49Å; L234-D236 HydrophobicContact CB-CB 4.37Å; L234-D236 PolarHBondContact O-N 3.2Å; D236-R238 VanDerWaalsContact C-N 3.29Å; D236-R238 PolarHBondContact O-N 3.21Å; D236-R238 PolarHBondContact OD1-N 3.03Å; D236-R238 VanDerWaalsContact OD1-N 3.12Å; D236-G239 PolarHBondContact O-N 3.01Å; D236-G239 VanDerWaalsContact O-N 3.16Å; D236-G239 PolarHBondContact OD1-N 2.99Å; D236-G239 VanDerWaalsContact OD1-N 3.14Å; D236-G239 WeakPolarHBondContact OD2-CA 3.37Å; D236-G239 PolarHBondContact OD2-N 3.35Å; D236-K240 WeakPolarHBondContact O-CG 3.41Å; D236-K240 PolarHBondContact O-N 3.34Å | ||
| 237 | I | 86.8 | Confident | 88.2 | Confident | 72 Ų | 72 | 51.1 Ų | 51.1 | 37% | 0.369 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -56.4 | -41.9 | 179.6 | -57.5 | 175.1 | 0 | 0 | 0 | 111.4 | D235 K240 I241 L270 V274 | D235-I237 PolarHBondContact O-N 3.46Å; I237-K240 PolarHBondContact O-N 3.01Å; I237-I241 HydrophobicContact CG2-CD1 4.13Å; I237-I241 WeakPolarHBondContact O-CG1 3.4Å; I237-I241 PolarHBondContact O-N 2.78Å; I237-L270 HydrophobicContact CG2-CD2 4.43Å; I237-V274 HydrophobicContact CG2-CG2 3.53Å |
| 238 | R | 86.4 | Confident | 88.1 | Confident | 184 Ų | 184 | 51.1 Ų | 51.1 | 69% | 0.694 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -69 | -38.4 | 179.6 | -75.8 | -173.8 | 172.7 | -178.8 | -1.4 | 111.5 | D236 I241 R242 | D236-R238 VanDerWaalsContact C-N 3.29Å; D236-R238 PolarHBondContact O-N 3.21Å; D236-R238 PolarHBondContact OD1-N 3.03Å; D236-R238 VanDerWaalsContact OD1-N 3.12Å; R238-I241 PolarHBondContact O-N 3.49Å; R238-R242 PolarHBondContact O-N 3.37Å |
| 239 | G | 85 | Confident | 88 | Confident | 2 Ų | 2 | 55.4 Ų | 55.4 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58 | -46 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D236 R242 A243 | D236-G239 PolarHBondContact O-N 3.01Å; D236-G239 VanDerWaalsContact O-N 3.16Å; D236-G239 PolarHBondContact OD1-N 2.99Å; D236-G239 VanDerWaalsContact OD1-N 3.14Å; D236-G239 WeakPolarHBondContact OD2-CA 3.37Å; D236-G239 PolarHBondContact OD2-N 3.35Å; G239-R242 PolarHBondContact O-N 3.31Å; G239-A243 WeakPolarHBondContact O-CB 3.43Å; G239-A243 PolarHBondContact O-N 3.08Å |
| 240 | K | 89.4 | Confident | 87.8 | Confident | 31 Ų | 31 | 53.1 Ų | 53.1 | 14% | 0.135 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 176.5 | -68 | 171.7 | -173.7 | 172.8 | 0 | 111.8 | L228 A231 E232 D235 D236 I237 A243 R244 L270 | L228-K240 HydrophobicContact CD1-CG 4.49Å; A231-K240 HydrophobicContact CB-CG 4.02Å; E232-K240 HydrophobicContact CG-CD 4.49Å; E232-K240 HydrophobicContact CG-CG 4.34Å; D235-K240 IonicContact OD1-NZ 3.06Å; D235-K240 PolarHBondContact OD1-NZ 3Å; D236-K240 WeakPolarHBondContact O-CG 3.41Å; D236-K240 PolarHBondContact O-N 3.34Å; I237-K240 PolarHBondContact O-N 3.01Å; K240-A243 PolarHBondContact O-N 3.14Å; K240-R244 WeakPolarHBondContact O-CB 3.42Å; K240-R244 WeakPolarHBondContact O-CG 3.38Å; K240-R244 PolarHBondContact O-N 3.09Å; K240-L270 HydrophobicContact CB-CD1 3.86Å |
| 241 | I | 89.9 | Confident | 87.7 | Confident | 12 Ų | 12 | 52 Ų | 52 | 6% | 0.062 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.4 | -51.1 | 177.2 | -72.1 | 169.8 | 0 | 0 | 0 | 110.7 | I237 R238 R245 L267 L270 L271 V274 | I237-I241 HydrophobicContact CG2-CD1 4.13Å; I237-I241 WeakPolarHBondContact O-CG1 3.4Å; I237-I241 PolarHBondContact O-N 2.78Å; R238-I241 PolarHBondContact O-N 3.49Å; I241-R245 VanDerWaalsContact O-CB 3.31Å; I241-R245 WeakPolarHBondContact O-CB 3.42Å; I241-R245 PolarHBondContact O-N 3.18Å; I241-L267 HydrophobicContact CB-CD1 4.12Å; I241-L267 HydrophobicContact CG1-CD1 4.29Å; I241-L267 HydrophobicContact CG2-CD1 3.75Å; I241-L267 WeakPolarHBondContact O-CD1 3.46Å; I241-L270 HydrophobicContact CD1-CB 4.23Å; I241-L270 HydrophobicContact CG1-CB 3.75Å; I241-L270 HydrophobicContact CG1-CD1 4.22Å; I241-L271 HydrophobicContact CD1-CD2 4.22Å; I241-L271 HydrophobicContact CG2-CD2 3.97Å; I241-V274 HydrophobicContact CD1-CB 4.44Å; I241-V274 HydrophobicContact CD1-CG2 3.84Å |
| 242 | R | 87.9 | Confident | 87.6 | Confident | 79 Ų | 79 | 54.2 Ų | 54.2 | 30% | 0.298 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.1 | -49.3 | 179.5 | -177.3 | -177.2 | 56.5 | 67.3 | 9.2 | 111.5 | S205 D227 R238 G239 R245 S246 | S205-R242 PolarHBondContact OG-NH1 2.95Å; D227-R242 VanDerWaalsContact CG-NH2 3.27Å; D227-R242 IonicContact OD1-CZ 2.82Å; D227-R242 IonicContact OD1-NH1 2.85Å; D227-R242 IonicContact OD1-NH2 3.77Å; D227-R242 PolarHBondContact OD1-NH2 3.18Å; D227-R242 IonicContact OD2-CZ 2.85Å; D227-R242 VanDerWaalsContact OD2-CZ 3.26Å; D227-R242 IonicContact OD2-NH1 2.76Å; D227-R242 PolarHBondContact OD2-NH1 2.93Å; D227-R242 IonicContact OD2-NH2 3.73Å; D227-R242 PolarHBondContact OD2-NH2 3.37Å; R238-R242 PolarHBondContact O-N 3.37Å; G239-R242 PolarHBondContact O-N 3.31Å; R242-R245 PolarHBondContact O-N 3.05Å; R242-S246 PolarHBondContact O-N 3.2Å; R242-S246 VanDerWaalsContact O-N 3.14Å; R242-S246 PolarHBondContact O-OG 3.24Å |
| 243 | A | 88.4 | Confident | 87.2 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.2 | -45.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L228 G239 K240 R245 S246 L247 | L228-A243 HydrophobicContact CB-CB 3.93Å; L228-A243 HydrophobicContact CD1-CB 4.03Å; G239-A243 WeakPolarHBondContact O-CB 3.43Å; G239-A243 PolarHBondContact O-N 3.08Å; K240-A243 PolarHBondContact O-N 3.14Å; A243-R245 PolarHBondContact O-N 3.36Å; A243-S246 PolarHBondContact O-N 3.09Å; A243-L247 WeakPolarHBondContact O-CB 3.44Å; A243-L247 WeakPolarHBondContact O-CG 3.05Å; A243-L247 PolarHBondContact O-N 3.02Å |
| 244 | R | 92.2 | Very high | 86.9 | Confident | 34 Ų | 34 | 51.3 Ų | 51.3 | 13% | 0.128 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.1 | -39.5 | 177.2 | -75.3 | -171.5 | 174.4 | 171.6 | -3.1 | 112.4 | L228 E232 K240 L247 G248 L266 L267 | L228-R244 HydrophobicContact CD1-CG 4.04Å; L228-R244 HydrophobicContact CD2-CG 4.49Å; E232-R244 IonicContact OE1-NH2 3.95Å; K240-R244 WeakPolarHBondContact O-CB 3.42Å; K240-R244 WeakPolarHBondContact O-CG 3.38Å; K240-R244 PolarHBondContact O-N 3.09Å; R244-L247 PolarHBondContact O-N 3.5Å; R244-G248 PolarHBondContact O-N 2.75Å; R244-L266 PolarHBondContact NH1-O 3.5Å; R244-L266 VanDerWaalsContact NH1-O 3.11Å; R244-L267 HydrophobicContact CB-CB 4.39Å |
| 245 | R | 91.4 | Very high | 86.6 | Confident | 81 Ų | 81 | 55.7 Ų | 55.7 | 31% | 0.306 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59 | -50.5 | 174.7 | -172.9 | 179.9 | -69.2 | 178.1 | -5.4 | 110.9 | I241 R242 A243 G248 Y249 L267 D279 | I241-R245 VanDerWaalsContact O-CB 3.31Å; I241-R245 WeakPolarHBondContact O-CB 3.42Å; I241-R245 PolarHBondContact O-N 3.18Å; R242-R245 PolarHBondContact O-N 3.05Å; A243-R245 PolarHBondContact O-N 3.36Å; R245-G248 PolarHBondContact O-N 3.43Å; R245-Y249 HydrophobicContact CG-CD2 4.17Å; R245-Y249 HydrophobicContact CG-CE2 3.83Å; R245-Y249 WeakPolarHBondContact O-CD2 3.4Å; R245-Y249 PolarHBondContact O-N 3.49Å; R245-L267 HydrophobicContact CB-CD1 4.49Å; R245-L267 HydrophobicContact CB-CD2 3.83Å; R245-L267 HydrophobicContact CG-CD2 4.18Å; R245-D279 IonicContact CZ-OD2 3.91Å; R245-D279 IonicContact NH1-OD2 3.97Å; R245-D279 IonicContact NH2-OD2 2.94Å; R245-D279 PolarHBondContact NH2-OD2 2.89Å |
| 246 | S | 89.2 | Confident | 86.5 | Confident | 46 Ų | 46 | 55.5 Ų | 55.5 | 32% | 0.322 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65 | -39.9 | 178.7 | -66.4 | 0 | 0 | 0 | 0 | 113.3 | R242 A243 L250 | R242-S246 PolarHBondContact O-N 3.2Å; R242-S246 VanDerWaalsContact O-N 3.14Å; R242-S246 PolarHBondContact O-OG 3.24Å; A243-S246 PolarHBondContact O-N 3.09Å; S246-L250 WeakPolarHBondContact O-CB 3.37Å; S246-L250 PolarHBondContact O-N 2.84Å; S246-L250 VanDerWaalsContact O-N 3.09Å |
| 247 | L | 90.2 | Very high | 86.1 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.1 | -45 | 174.8 | -77.2 | 169 | 0 | 0 | 0 | 112 | L221 L224 Q225 L228 A243 R244 Y249 L250 C251 | L221-L247 HydrophobicContact CD1-CD2 3.79Å; L224-L247 HydrophobicContact CB-CD2 3.51Å; L224-L247 HydrophobicContact CB-CG 3.9Å; L224-L247 HydrophobicContact CD1-CD2 4.4Å; Q225-L247 HydrophobicContact CG-CD2 4.07Å; L228-L247 HydrophobicContact CB-CD1 4.15Å; L228-L247 HydrophobicContact CD2-CD1 3.66Å; L228-L247 HydrophobicContact CG-CD1 4.49Å; A243-L247 WeakPolarHBondContact O-CB 3.44Å; A243-L247 WeakPolarHBondContact O-CG 3.05Å; A243-L247 PolarHBondContact O-N 3.02Å; R244-L247 PolarHBondContact O-N 3.5Å; L247-Y249 PolarHBondContact O-N 2.87Å; L247-L250 PolarHBondContact O-N 2.98Å; L247-L250 VanDerWaalsContact O-N 3.15Å; L247-C251 PolarHBondContact O-N 3.03Å; L247-C251 PolarHBondContact O-SG 2.95Å; L247-C251 VanDerWaalsContact O-SG 3.34Å |
| 248 | G | 88.3 | Confident | 85.9 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57 | -46.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R244 R245 L250 L252 A260 | R244-G248 PolarHBondContact O-N 2.75Å; R245-G248 PolarHBondContact O-N 3.43Å; G248-L250 VanDerWaalsContact C-N 3.35Å; G248-L250 PolarHBondContact O-N 3.26Å; G248-L252 WeakPolarHBondContact O-CG 3.49Å; G248-L252 PolarHBondContact O-N 3.09Å; G248-A260 WeakPolarHBondContact O-CB 3.33Å |
| 249 | Y | 87.2 | Confident | 85.8 | Confident | 106 Ų | 106 | 52.2 Ų | 52.2 | 42% | 0.416 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.2 | -36.5 | 176.4 | -76.4 | -64.9 | 0 | 0 | 0 | 113.1 | R245 L247 L252 K253 F264 F286 | R245-Y249 HydrophobicContact CG-CD2 4.17Å; R245-Y249 HydrophobicContact CG-CE2 3.83Å; R245-Y249 WeakPolarHBondContact O-CD2 3.4Å; R245-Y249 PolarHBondContact O-N 3.49Å; L247-Y249 PolarHBondContact O-N 2.87Å; Y249-L252 PolarHBondContact O-N 3.18Å; Y249-K253 PolarHBondContact O-N 3.44Å; Y249-F264 HydrophobicContact CD1-CZ 4.27Å; Y249-F264 HydrophobicContact CD2-CZ 4.46Å; Y249-F264 HydrophobicContact CE1-CZ 4.42Å; Y249-F264 HydrophobicContact CE2-CE1 4.38Å; Y249-F264 HydrophobicContact CG-CZ 4.28Å; Y249-F286 HydrophobicContact CD1-CE1 4.08Å; Y249-F286 HydrophobicContact CD1-CZ 4.07Å; Y249-F286 HydrophobicContact CE1-CD1 4.31Å; Y249-F286 AromaticContact CE1-CE1 3.52Å; Y249-F286 HydrophobicContact CE1-CE1 3.52Å; Y249-F286 HydrophobicContact CE1-CE2 4.27Å; Y249-F286 AromaticContact CE1-CZ 3.51Å; Y249-F286 HydrophobicContact CE1-CZ 3.51Å |
| 250 | L | 85.6 | Confident | 85.9 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -70.3 | -41.4 | 177.8 | 178.1 | 57.8 | 0 | 0 | 0 | 113.3 | W212 E217 L221 L224 S246 L247 G248 L252 K253 L254 | W212-L250 HydrophobicContact CE3-CB 4.33Å; W212-L250 HydrophobicContact CE3-CD1 3.72Å; W212-L250 HydrophobicContact CE3-CG 4.44Å; W212-L250 HydrophobicContact CH2-CB 4.48Å; W212-L250 HydrophobicContact CH2-CD1 4.46Å; W212-L250 HydrophobicContact CZ3-CB 3.59Å; W212-L250 HydrophobicContact CZ3-CD1 3.32Å; W212-L250 HydrophobicContact CZ3-CG 3.95Å; E217-L250 HydrophobicContact CB-CD1 3.95Å; E217-L250 HydrophobicContact CG-CD1 4.24Å; L221-L250 HydrophobicContact CB-CD2 3.63Å; L221-L250 HydrophobicContact CB-CG 4.45Å; L221-L250 HydrophobicContact CD1-CD2 3.73Å; L221-L250 HydrophobicContact CD1-CG 4.1Å; L221-L250 HydrophobicContact CG-CD2 4.31Å; L221-L250 VanDerWaalsContact N-CD2 3.34Å; L224-L250 HydrophobicContact CD1-CD2 3.83Å; S246-L250 WeakPolarHBondContact O-CB 3.37Å; S246-L250 PolarHBondContact O-N 2.84Å; S246-L250 VanDerWaalsContact O-N 3.09Å; L247-L250 PolarHBondContact O-N 2.98Å; L247-L250 VanDerWaalsContact O-N 3.15Å; G248-L250 VanDerWaalsContact C-N 3.35Å; G248-L250 PolarHBondContact O-N 3.26Å; L250-L252 VanDerWaalsContact C-N 3.27Å; L250-L252 PolarHBondContact O-N 3.38Å; L250-K253 PolarHBondContact O-N 2.84Å; L250-K253 VanDerWaalsContact O-N 3.17Å; L250-L254 HydrophobicContact CD1-CD1 3.96Å; L250-L254 HydrophobicContact CD1-CG 4.19Å; L250-L254 HydrophobicContact CG-CD1 4.04Å; L250-L254 WeakPolarHBondContact O-CG 3.39Å; L250-L254 PolarHBondContact O-N 3.12Å |
| 251 | C | 86.2 | Confident | 85.8 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.007 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.7 | -36.2 | 174.5 | -68.8 | 0 | 0 | 0 | 0 | 111.6 | L247 L254 L255 R256 E259 A260 | L247-C251 PolarHBondContact O-N 3.03Å; L247-C251 PolarHBondContact O-SG 2.95Å; L247-C251 VanDerWaalsContact O-SG 3.34Å; C251-L254 PolarHBondContact O-N 2.91Å; C251-L255 PolarHBondContact O-N 3.42Å; C251-R256 HydrophobicContact CB-CB 4.35Å; C251-R256 CarbonylContact O-C 3.59Å; C251-R256 WeakPolarHBondContact O-CA 3.5Å; C251-R256 PolarHBondContact O-N 3.34Å; C251-E259 HydrophobicContact CB-CB 4.34Å; C251-A260 HydrophobicContact CB-CB 3.67Å |
| 252 | L | 83.8 | Confident | 85.8 | Confident | 46 Ų | 46 | 56.6 Ų | 56.6 | 24% | 0.241 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.5 | -43.1 | 172.8 | -73.4 | 176.8 | 0 | 0 | 0 | 112.9 | G248 Y249 L250 L254 L255 A260 F264 F286 I290 | G248-L252 WeakPolarHBondContact O-CG 3.49Å; G248-L252 PolarHBondContact O-N 3.09Å; Y249-L252 PolarHBondContact O-N 3.18Å; L250-L252 VanDerWaalsContact C-N 3.27Å; L250-L252 PolarHBondContact O-N 3.38Å; L252-L254 VanDerWaalsContact C-N 3.29Å; L252-L254 PolarHBondContact O-N 2.8Å; L252-L255 PolarHBondContact O-N 3.04Å; L252-A260 HydrophobicContact CD2-CB 3.75Å; L252-A260 HydrophobicContact CG-CB 3.69Å; L252-F264 HydrophobicContact CD1-CE2 3.76Å; L252-F264 HydrophobicContact CD1-CZ 4.22Å; L252-F264 HydrophobicContact CG-CE2 4.2Å; L252-F286 HydrophobicContact CD1-CE1 3.48Å; L252-F286 VanDerWaalsContact CD1-CE1 3.48Å; L252-F286 HydrophobicContact CD1-CZ 3.47Å; L252-F286 VanDerWaalsContact CD1-CZ 3.47Å; L252-I290 HydrophobicContact CD1-CD1 3.74Å; L252-I290 HydrophobicContact CD1-CG1 4.11Å; L252-I290 HydrophobicContact CD2-CD1 4Å; L252-I290 HydrophobicContact CD2-CG1 4.07Å; L252-I290 HydrophobicContact CD2-CG2 4.01Å; L252-I290 HydrophobicContact CG-CD1 4.36Å |
| 253 | K | 81.2 | Confident | 85.9 | Confident | 94 Ų | 94 | 54.6 Ų | 54.6 | 41% | 0.409 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.8 | -36.1 | 178.3 | -163.8 | 177.2 | -176.8 | -140.4 | 0 | 111.9 | W212 E217 Y249 L250 L255 | W212-K253 HydrophobicContact CH2-CB 3.94Å; W212-K253 HydrophobicContact CH2-CD 3.43Å; W212-K253 VanDerWaalsContact CH2-CD 3.43Å; W212-K253 HydrophobicContact CH2-CG 4.32Å; W212-K253 HydrophobicContact CZ2-CD 3.67Å; W212-K253 HydrophobicContact CZ3-CB 4.47Å; W212-K253 HydrophobicContact CZ3-CD 4.02Å; E217-K253 WeakPolarHBondContact OE1-CD 3.41Å; E217-K253 WeakPolarHBondContact OE1-CE 3.39Å; E217-K253 IonicContact OE1-NZ 2.67Å; E217-K253 PolarHBondContact OE1-NZ 3.08Å; Y249-K253 PolarHBondContact O-N 3.44Å; L250-K253 PolarHBondContact O-N 2.84Å; L250-K253 VanDerWaalsContact O-N 3.17Å; K253-L255 PolarHBondContact O-N 3.09Å |
| 254 | L | 81.3 | Confident | 86.1 | Confident | 44 Ų | 44 | 54.6 Ų | 54.6 | 23% | 0.23 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 9.6 | 175.9 | -73.8 | 170.4 | 0 | 0 | 0 | 114.6 | E217 L221 L250 C251 L252 R256 | E217-L254 HydrophobicContact CB-CD2 3.81Å; E217-L254 HydrophobicContact CB-CG 4.32Å; E217-L254 WeakPolarHBondContact OE2-CD2 3.35Å; L221-L254 HydrophobicContact CD2-CD1 4.13Å; L250-L254 HydrophobicContact CD1-CD1 3.96Å; L250-L254 HydrophobicContact CD1-CG 4.19Å; L250-L254 HydrophobicContact CG-CD1 4.04Å; L250-L254 WeakPolarHBondContact O-CG 3.39Å; L250-L254 PolarHBondContact O-N 3.12Å; C251-L254 PolarHBondContact O-N 2.91Å; L252-L254 VanDerWaalsContact C-N 3.29Å; L252-L254 PolarHBondContact O-N 2.8Å; L254-R256 HydrophobicContact CB-CG 4.36Å; L254-R256 PolarHBondContact O-N 3.42Å |
| 255 | L | 79.1 | Confident | 86 | Confident | 157 Ų | 157 | 61.3 Ų | 61.3 | 82% | 0.822 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 33.8 | -176.5 | -60.5 | 167.9 | 0 | 0 | 0 | 113.4 | C251 L252 K253 P257 | C251-L255 PolarHBondContact O-N 3.42Å; L252-L255 PolarHBondContact O-N 3.04Å; K253-L255 PolarHBondContact O-N 3.09Å; L255-P257 WeakPolarHBondContact O-CD 3.39Å |
| 256 | R | 80.9 | Confident | 86 | Confident | 112 Ų | 112 | 60.3 Ų | 60.3 | 42% | 0.423 | 29% | 0.285 | S | S | . | . | trans | -111.7 | 72.3 | 174.8 | -58.6 | -171 | -173.7 | -171.7 | -2.3 | 111.1 | C251 L254 I258 E259 A260 | C251-R256 HydrophobicContact CB-CB 4.35Å; C251-R256 CarbonylContact O-C 3.59Å; C251-R256 WeakPolarHBondContact O-CA 3.5Å; C251-R256 PolarHBondContact O-N 3.34Å; L254-R256 HydrophobicContact CB-CG 4.36Å; L254-R256 PolarHBondContact O-N 3.42Å; R256-I258 VanDerWaalsContact C-N 3.33Å; R256-I258 PolarHBondContact O-N 3.38Å; R256-E259 HydrophobicContact CB-CB 4.35Å; R256-E259 WeakPolarHBondContact CD-OE2 3.42Å; R256-E259 IonicContact NH1-OE1 2.8Å; R256-E259 PolarHBondContact NH1-OE1 2.85Å; R256-E259 IonicContact NH1-OE2 2.63Å; R256-E259 PolarHBondContact NH1-OE2 2.92Å; R256-A260 WeakPolarHBondContact O-CB 3.21Å; R256-A260 PolarHBondContact O-N 2.88Å; R256-A260 VanDerWaalsContact O-N 3.14Å | ||
| 257 | P | 78 | Confident | 86.1 | Confident | 54 Ų | 54 | 58.1 Ų | 58.1 | 35% | 0.351 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67.1 | -31.3 | -172.8 | 27.1 | -35.2 | 0 | 0 | 0 | 113.2 | L255 A260 L261 | L255-P257 WeakPolarHBondContact O-CD 3.39Å; P257-A260 PolarHBondContact O-N 3.47Å; P257-L261 WeakPolarHBondContact O-CB 3.31Å; P257-L261 WeakPolarHBondContact O-CD1 3.5Å; P257-L261 WeakPolarHBondContact O-CG 3.25Å; P257-L261 PolarHBondContact O-N 3.2Å |
| 258 | I | 81.8 | Confident | 86.1 | Confident | 122 Ų | 122 | 58.9 Ų | 58.9 | 63% | 0.626 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -68.1 | -51.7 | -178.7 | -58.3 | 172.4 | 0 | 0 | 0 | 110.5 | R256 A260 L261 E262 | R256-I258 VanDerWaalsContact C-N 3.33Å; R256-I258 PolarHBondContact O-N 3.38Å; I258-A260 VanDerWaalsContact C-N 3.25Å; I258-A260 PolarHBondContact O-N 2.96Å; I258-L261 WeakPolarHBondContact O-CB 3.43Å; I258-L261 PolarHBondContact O-N 2.97Å; I258-L261 VanDerWaalsContact O-N 3.13Å; I258-E262 PolarHBondContact O-N 3.39Å |
| 259 | E | 84.5 | Confident | 86.2 | Confident | 75 Ų | 75 | 63.1 Ų | 63.1 | 35% | 0.35 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.6 | -38.7 | 175 | -66.5 | 176.7 | -164.8 | 0 | 0 | 111.2 | C251 R256 E262 H263 | C251-E259 HydrophobicContact CB-CB 4.34Å; R256-E259 HydrophobicContact CB-CB 4.35Å; R256-E259 WeakPolarHBondContact CD-OE2 3.42Å; R256-E259 IonicContact NH1-OE1 2.8Å; R256-E259 PolarHBondContact NH1-OE1 2.85Å; R256-E259 IonicContact NH1-OE2 2.63Å; R256-E259 PolarHBondContact NH1-OE2 2.92Å; E259-E262 PolarHBondContact O-N 3.03Å; E259-H263 PolarHBondContact O-CD2 3.41Å; E259-H263 PolarHBondContact O-N 3.22Å |
| 260 | A | 87.6 | Confident | 86.3 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | G248 C251 L252 R256 P257 I258 E262 H263 F264 | G248-A260 WeakPolarHBondContact O-CB 3.33Å; C251-A260 HydrophobicContact CB-CB 3.67Å; L252-A260 HydrophobicContact CD2-CB 3.75Å; L252-A260 HydrophobicContact CG-CB 3.69Å; R256-A260 WeakPolarHBondContact O-CB 3.21Å; R256-A260 PolarHBondContact O-N 2.88Å; R256-A260 VanDerWaalsContact O-N 3.14Å; P257-A260 PolarHBondContact O-N 3.47Å; I258-A260 VanDerWaalsContact C-N 3.25Å; I258-A260 PolarHBondContact O-N 2.96Å; A260-E262 VanDerWaalsContact C-N 3.3Å; A260-E262 PolarHBondContact O-N 3.3Å; A260-H263 PolarHBondContact O-N 3.21Å; A260-F264 HydrophobicContact CB-CD2 4.42Å; A260-F264 HydrophobicContact CB-CE2 4.19Å; A260-F264 WeakPolarHBondContact O-CD2 3.38Å; A260-F264 PolarHBondContact O-N 3.31Å |
| 261 | L | 87.8 | Confident | 86.6 | Confident | 17 Ų | 17 | 58.8 Ų | 58.8 | 9% | 0.089 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.2 | -37 | 178.8 | -75.8 | 167 | 0 | 0 | 0 | 111.9 | P257 I258 F264 R265 V287 I290 Y291 | P257-L261 WeakPolarHBondContact O-CB 3.31Å; P257-L261 WeakPolarHBondContact O-CD1 3.5Å; P257-L261 WeakPolarHBondContact O-CG 3.25Å; P257-L261 PolarHBondContact O-N 3.2Å; I258-L261 WeakPolarHBondContact O-CB 3.43Å; I258-L261 PolarHBondContact O-N 2.97Å; I258-L261 VanDerWaalsContact O-N 3.13Å; L261-F264 PolarHBondContact O-N 2.99Å; L261-R265 WeakPolarHBondContact O-CB 2.98Å; L261-R265 PolarHBondContact O-N 3.46Å; L261-V287 HydrophobicContact CD2-CG1 3.87Å; L261-I290 HydrophobicContact CD1-CG2 4.26Å; L261-I290 HydrophobicContact CD2-CB 4.05Å; L261-I290 HydrophobicContact CD2-CD1 4.35Å; L261-I290 HydrophobicContact CD2-CG2 3.78Å; L261-I290 HydrophobicContact CG-CG2 3.96Å; L261-Y291 HydrophobicContact CD1-CD1 3.96Å; L261-Y291 HydrophobicContact CD1-CE1 3.5Å; L261-Y291 VanDerWaalsContact CD1-CE1 3.5Å; L261-Y291 HydrophobicContact CD2-CD1 4.43Å; L261-Y291 HydrophobicContact CD2-CD2 4.14Å; L261-Y291 HydrophobicContact CD2-CE1 4.15Å; L261-Y291 HydrophobicContact CD2-CE2 3.83Å; L261-Y291 HydrophobicContact CD2-CG 4.42Å; L261-Y291 HydrophobicContact CG-CE1 4.42Å |
| 262 | E | 88.5 | Confident | 86.7 | Confident | 119 Ų | 119 | 62.6 Ų | 62.6 | 56% | 0.556 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -61.3 | -49.4 | 173.4 | -71.2 | 178.3 | 176.1 | 0 | 0 | 111.3 | I258 E259 A260 F264 R265 L266 | I258-E262 PolarHBondContact O-N 3.39Å; E259-E262 PolarHBondContact O-N 3.03Å; A260-E262 VanDerWaalsContact C-N 3.3Å; A260-E262 PolarHBondContact O-N 3.3Å; E262-F264 VanDerWaalsContact C-N 3.35Å; E262-F264 PolarHBondContact O-N 2.99Å; E262-R265 PolarHBondContact O-N 2.94Å; E262-L266 VanDerWaalsContact O-CB 3.23Å; E262-L266 WeakPolarHBondContact O-CB 3.5Å; E262-L266 WeakPolarHBondContact O-CG 3.49Å; E262-L266 PolarHBondContact O-N 2.97Å; E262-L266 VanDerWaalsContact O-N 3.08Å |
| 263 | H | 91.4 | Very high | 86.8 | Confident | 37 Ų | 37 | 66.9 Ų | 66.9 | 17% | 0.171 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.9 | -40.4 | 176.9 | -72.4 | -54.3 | 0 | 0 | 0 | 112.9 | E259 A260 L267 | E259-H263 PolarHBondContact O-CD2 3.41Å; E259-H263 PolarHBondContact O-N 3.22Å; A260-H263 PolarHBondContact O-N 3.21Å; H263-L267 VanDerWaalsContact O-CB 3.28Å; H263-L267 WeakPolarHBondContact O-CB 3.36Å; H263-L267 PolarHBondContact O-N 3.32Å |
| 264 | F | 92.7 | Very high | 87.2 | Confident | 1 Ų | 1 | 64.7 Ų | 64.7 | 0% | 0.004 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -71.6 | -38.5 | 178.4 | -70.9 | -56.9 | 0 | 0 | 0 | 113.2 | Y249 L252 A260 L261 E262 L266 L267 V268 V283 F286 V287 I290 | Y249-F264 HydrophobicContact CD1-CZ 4.27Å; Y249-F264 HydrophobicContact CD2-CZ 4.46Å; Y249-F264 HydrophobicContact CE1-CZ 4.42Å; Y249-F264 HydrophobicContact CE2-CE1 4.38Å; Y249-F264 HydrophobicContact CG-CZ 4.28Å; L252-F264 HydrophobicContact CD1-CE2 3.76Å; L252-F264 HydrophobicContact CD1-CZ 4.22Å; L252-F264 HydrophobicContact CG-CE2 4.2Å; A260-F264 HydrophobicContact CB-CD2 4.42Å; A260-F264 HydrophobicContact CB-CE2 4.19Å; A260-F264 WeakPolarHBondContact O-CD2 3.38Å; A260-F264 PolarHBondContact O-N 3.31Å; L261-F264 PolarHBondContact O-N 2.99Å; E262-F264 VanDerWaalsContact C-N 3.35Å; E262-F264 PolarHBondContact O-N 2.99Å; F264-L266 VanDerWaalsContact C-N 3.35Å; F264-L267 HydrophobicContact CD1-CD2 4.15Å; F264-L267 WeakPolarHBondContact O-CB 3.37Å; F264-L267 PolarHBondContact O-N 3.25Å; F264-V268 WeakPolarHBondContact O-CG2 3.37Å; F264-V268 PolarHBondContact O-N 2.91Å; F264-V283 HydrophobicContact CB-CG1 4.2Å; F264-V283 HydrophobicContact CD1-CG1 3.99Å; F264-V283 HydrophobicContact CG-CG1 4.48Å; F264-F286 HydrophobicContact CD2-CE1 4.49Å; F264-F286 HydrophobicContact CE1-CD1 4.15Å; F264-F286 HydrophobicContact CE1-CE1 4.14Å; F264-F286 HydrophobicContact CE2-CD1 4.09Å; F264-F286 AromaticContact CE2-CE1 3.68Å; F264-F286 HydrophobicContact CE2-CE1 3.68Å; F264-F286 AromaticContact CZ-CD1 3.91Å; F264-F286 HydrophobicContact CZ-CD1 3.91Å; F264-F286 AromaticContact CZ-CE1 3.48Å; F264-F286 HydrophobicContact CZ-CE1 3.48Å; F264-F286 VanDerWaalsContact CZ-CE1 3.48Å; F264-V287 HydrophobicContact CB-CG2 3.44Å; F264-V287 VanDerWaalsContact CB-CG2 3.44Å; F264-V287 HydrophobicContact CG-CG2 4.18Å; F264-I290 HydrophobicContact CD2-CD1 3.76Å; F264-I290 HydrophobicContact CE2-CD1 3.77Å |
| 265 | R | 89.9 | Confident | 87.4 | Confident | 174 Ų | 174 | 70 Ų | 70 | 66% | 0.657 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -59 | -50 | 174.4 | 177.4 | -177.9 | 172.6 | 176.4 | 1.3 | 110.9 | L261 E262 L267 V268 E269 | L261-R265 WeakPolarHBondContact O-CB 2.98Å; L261-R265 PolarHBondContact O-N 3.46Å; E262-R265 PolarHBondContact O-N 2.94Å; R265-L267 PolarHBondContact O-N 3.07Å; R265-V268 PolarHBondContact O-N 3.06Å; R265-V268 VanDerWaalsContact O-N 3.17Å; R265-E269 IonicContact NE-OE1 2.72Å; R265-E269 PolarHBondContact O-N 2.99Å |
| 266 | L | 90.2 | Very high | 87.8 | Confident | 60 Ų | 60 | 66 Ų | 66 | 31% | 0.314 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.3 | -23.5 | 176.6 | -84.9 | -179.3 | 0 | 0 | 0 | 113.6 | R244 E262 F264 L270 | R244-L266 PolarHBondContact NH1-O 3.5Å; R244-L266 VanDerWaalsContact NH1-O 3.11Å; E262-L266 VanDerWaalsContact O-CB 3.23Å; E262-L266 WeakPolarHBondContact O-CB 3.5Å; E262-L266 WeakPolarHBondContact O-CG 3.49Å; E262-L266 PolarHBondContact O-N 2.97Å; E262-L266 VanDerWaalsContact O-N 3.08Å; F264-L266 VanDerWaalsContact C-N 3.35Å; L266-L270 WeakPolarHBondContact O-CG 3.45Å |
| 267 | L | 92.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -77.1 | -40.7 | 172.4 | 175.5 | 64.9 | 0 | 0 | 0 | 111.6 | I241 R244 R245 H263 F264 R265 E269 L270 L271 V283 | I241-L267 HydrophobicContact CB-CD1 4.12Å; I241-L267 HydrophobicContact CG1-CD1 4.29Å; I241-L267 HydrophobicContact CG2-CD1 3.75Å; I241-L267 WeakPolarHBondContact O-CD1 3.46Å; R244-L267 HydrophobicContact CB-CB 4.39Å; R245-L267 HydrophobicContact CB-CD1 4.49Å; R245-L267 HydrophobicContact CB-CD2 3.83Å; R245-L267 HydrophobicContact CG-CD2 4.18Å; H263-L267 VanDerWaalsContact O-CB 3.28Å; H263-L267 WeakPolarHBondContact O-CB 3.36Å; H263-L267 PolarHBondContact O-N 3.32Å; F264-L267 HydrophobicContact CD1-CD2 4.15Å; F264-L267 WeakPolarHBondContact O-CB 3.37Å; F264-L267 PolarHBondContact O-N 3.25Å; R265-L267 PolarHBondContact O-N 3.07Å; L267-E269 VanDerWaalsContact C-N 3.31Å; L267-E269 PolarHBondContact O-N 3.4Å; L267-L270 PolarHBondContact O-N 3.43Å; L267-L271 HydrophobicContact CD1-CD1 4.13Å; L267-L271 HydrophobicContact CD1-CG 4.19Å; L267-L271 HydrophobicContact CD2-CD1 4.49Å; L267-L271 HydrophobicContact CG-CD1 3.85Å; L267-L271 HydrophobicContact CG-CG 4.36Å; L267-L271 WeakPolarHBondContact O-CG 3.26Å; L267-L271 PolarHBondContact O-N 3.02Å; L267-V283 HydrophobicContact CD2-CG1 4.08Å; L267-V283 HydrophobicContact CD2-CG2 3.93Å |
| 268 | V | 90.4 | Very high | 88.6 | Confident | 18 Ų | 18 | 67.2 Ų | 67.2 | 11% | 0.109 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.4 | -42.5 | 177.1 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | F264 R265 L270 L271 I272 V283 M284 | F264-V268 WeakPolarHBondContact O-CG2 3.37Å; F264-V268 PolarHBondContact O-N 2.91Å; R265-V268 PolarHBondContact O-N 3.06Å; R265-V268 VanDerWaalsContact O-N 3.17Å; V268-L270 PolarHBondContact O-N 2.88Å; V268-L271 PolarHBondContact O-N 3.41Å; V268-I272 HydrophobicContact CG1-CD1 3.8Å; V268-I272 HydrophobicContact CG1-CG1 4.46Å; V268-I272 VanDerWaalsContact O-CG1 3.29Å; V268-I272 WeakPolarHBondContact O-CG1 3.22Å; V268-I272 PolarHBondContact O-N 2.97Å; V268-V283 HydrophobicContact CG2-CB 4Å; V268-V283 HydrophobicContact CG2-CG1 3.57Å; V268-M284 HydrophobicContact CG1-CG 3.8Å; V268-M284 HydrophobicContact CG1-SD 4.13Å; V268-M284 HydrophobicContact CG2-CG 3.83Å |
| 269 | E | 89.2 | Confident | 88.9 | Confident | 89 Ų | 89 | 63.8 Ų | 63.8 | 42% | 0.416 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.5 | -48.6 | 176.2 | -69.8 | 170.9 | -171.3 | 0 | 0 | 111.4 | R265 L267 L271 I272 E273 | R265-E269 IonicContact NE-OE1 2.72Å; R265-E269 PolarHBondContact O-N 2.99Å; L267-E269 VanDerWaalsContact C-N 3.31Å; L267-E269 PolarHBondContact O-N 3.4Å; E269-L271 PolarHBondContact O-N 3.27Å; E269-I272 PolarHBondContact O-N 3.37Å; E269-E273 WeakPolarHBondContact O-CG 3.38Å; E269-E273 PolarHBondContact O-N 3.11Å; E269-E273 VanDerWaalsContact O-N 3.1Å |
| 270 | L | 90.1 | Very high | 89.2 | Confident | 15 Ų | 15 | 60.2 Ų | 60.2 | 8% | 0.079 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.3 | -37.9 | 177.9 | -66.4 | 171.6 | 0 | 0 | 0 | 113.1 | I237 K240 I241 L266 L267 V268 I272 E273 V274 | I237-L270 HydrophobicContact CG2-CD2 4.43Å; K240-L270 HydrophobicContact CB-CD1 3.86Å; I241-L270 HydrophobicContact CD1-CB 4.23Å; I241-L270 HydrophobicContact CG1-CB 3.75Å; I241-L270 HydrophobicContact CG1-CD1 4.22Å; L266-L270 WeakPolarHBondContact O-CG 3.45Å; L267-L270 PolarHBondContact O-N 3.43Å; V268-L270 PolarHBondContact O-N 2.88Å; L270-I272 VanDerWaalsContact C-N 3.33Å; L270-E273 PolarHBondContact O-N 3.19Å; L270-V274 WeakPolarHBondContact O-CG2 3.48Å; L270-V274 PolarHBondContact O-N 3.08Å; L270-V274 VanDerWaalsContact O-N 3.11Å |
| 271 | L | 91.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68 | -34.6 | 178.9 | -72.6 | 168.2 | 0 | 0 | 0 | 112.1 | I241 L267 V268 E269 V274 E275 E276 D279 A280 V283 | I241-L271 HydrophobicContact CD1-CD2 4.22Å; I241-L271 HydrophobicContact CG2-CD2 3.97Å; L267-L271 HydrophobicContact CD1-CD1 4.13Å; L267-L271 HydrophobicContact CD1-CG 4.19Å; L267-L271 HydrophobicContact CD2-CD1 4.49Å; L267-L271 HydrophobicContact CG-CD1 3.85Å; L267-L271 HydrophobicContact CG-CG 4.36Å; L267-L271 WeakPolarHBondContact O-CG 3.26Å; L267-L271 PolarHBondContact O-N 3.02Å; V268-L271 PolarHBondContact O-N 3.41Å; E269-L271 PolarHBondContact O-N 3.27Å; L271-V274 PolarHBondContact O-N 2.92Å; L271-E275 PolarHBondContact O-N 3.41Å; L271-E276 HydrophobicContact CD2-CB 4.06Å; L271-E276 WeakPolarHBondContact CD2-OE2 3.25Å; L271-E276 PolarHBondContact O-N 2.89Å; L271-D279 HydrophobicContact CD1-CB 4.07Å; L271-D279 HydrophobicContact CD2-CB 3.96Å; L271-A280 HydrophobicContact CB-CB 3.96Å; L271-V283 HydrophobicContact CD1-CB 4.48Å; L271-V283 HydrophobicContact CD1-CG2 3.9Å |
| 272 | I | 88.4 | Confident | 89.5 | Confident | 81 Ų | 81 | 64.9 Ų | 64.9 | 42% | 0.415 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.6 | -41 | 173.6 | -67.4 | 168.9 | 0 | 0 | 0 | 110.3 | V268 E269 L270 V274 E275 A280 W314 | V268-I272 HydrophobicContact CG1-CD1 3.8Å; V268-I272 HydrophobicContact CG1-CG1 4.46Å; V268-I272 VanDerWaalsContact O-CG1 3.29Å; V268-I272 WeakPolarHBondContact O-CG1 3.22Å; V268-I272 PolarHBondContact O-N 2.97Å; E269-I272 PolarHBondContact O-N 3.37Å; L270-I272 VanDerWaalsContact C-N 3.33Å; I272-V274 VanDerWaalsContact C-N 3.29Å; I272-V274 PolarHBondContact O-N 2.86Å; I272-E275 PolarHBondContact O-N 3.06Å; I272-E275 VanDerWaalsContact O-N 3.14Å; I272-A280 HydrophobicContact CG1-CB 4.11Å; I272-W314 HydrophobicContact CG1-CH2 4.3Å |
| 273 | E | 86.7 | Confident | 89.6 | Confident | 136 Ų | 136 | 59.8 Ų | 59.8 | 64% | 0.636 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -61.4 | -34.1 | 175.6 | -73.1 | 178 | 176.3 | 0 | 0 | 113.2 | E269 L270 E275 | E269-E273 WeakPolarHBondContact O-CG 3.38Å; E269-E273 PolarHBondContact O-N 3.11Å; E269-E273 VanDerWaalsContact O-N 3.1Å; L270-E273 PolarHBondContact O-N 3.19Å; E273-E275 VanDerWaalsContact C-N 3.31Å |
| 274 | V | 88.1 | Confident | 89.7 | Confident | 47 Ų | 47 | 58.6 Ų | 58.6 | 29% | 0.285 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 1.6 | 178.6 | -175.5 | 0 | 0 | 0 | 0 | 112.5 | I237 I241 L270 L271 I272 E276 | I237-V274 HydrophobicContact CG2-CG2 3.53Å; I241-V274 HydrophobicContact CD1-CB 4.44Å; I241-V274 HydrophobicContact CD1-CG2 3.84Å; L270-V274 WeakPolarHBondContact O-CG2 3.48Å; L270-V274 PolarHBondContact O-N 3.08Å; L270-V274 VanDerWaalsContact O-N 3.11Å; L271-V274 PolarHBondContact O-N 2.92Å; I272-V274 VanDerWaalsContact C-N 3.29Å; I272-V274 PolarHBondContact O-N 2.86Å; V274-E276 HydrophobicContact CG1-CG 4.16Å; V274-E276 PolarHBondContact O-N 2.98Å |
| 275 | E | 85.5 | Confident | 89.7 | Confident | 156 Ų | 156 | 59.1 Ų | 59.1 | 73% | 0.729 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 23.7 | -175.7 | -55.5 | -170.5 | 160.6 | 0 | 0 | 114.9 | L271 I272 E273 K277 | L271-E275 PolarHBondContact O-N 3.41Å; I272-E275 PolarHBondContact O-N 3.06Å; I272-E275 VanDerWaalsContact O-N 3.14Å; E273-E275 VanDerWaalsContact C-N 3.31Å; E275-K277 VanDerWaalsContact C-N 3.27Å; E275-K277 PolarHBondContact O-N 2.87Å |
| 276 | E | 88 | Confident | 89.7 | Confident | 72 Ų | 72 | 53.2 Ų | 53.2 | 34% | 0.336 | 26% | 0.26 | S | S | . | . | trans | -82.4 | 69.6 | 174.9 | -71.9 | -174.7 | 176.7 | 0 | 0 | 111.2 | L271 V274 N278 D279 A280 | L271-E276 HydrophobicContact CD2-CB 4.06Å; L271-E276 WeakPolarHBondContact CD2-OE2 3.25Å; L271-E276 PolarHBondContact O-N 2.89Å; V274-E276 HydrophobicContact CG1-CG 4.16Å; V274-E276 PolarHBondContact O-N 2.98Å; E276-N278 PolarHBondContact O-N 2.88Å; E276-D279 HydrophobicContact CB-CB 4.35Å; E276-D279 PolarHBondContact O-N 3.49Å; E276-A280 PolarHBondContact O-N 3.02Å | ||
| 277 | K | 88.4 | Confident | 89.7 | Confident | 94 Ų | 94 | 50.9 Ų | 50.9 | 41% | 0.409 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -56.9 | -42.4 | -172.2 | -66.6 | 173.5 | -176.7 | 177 | 0 | 114.7 | E275 C281 W314 | E275-K277 VanDerWaalsContact C-N 3.27Å; E275-K277 PolarHBondContact O-N 2.87Å; K277-C281 PolarHBondContact O-N 3.48Å; K277-C281 VanDerWaalsContact O-N 3.16Å; K277-W314 HydrophobicContact CB-CD2 3.97Å; K277-W314 HydrophobicContact CB-CE3 3.55Å; K277-W314 HydrophobicContact CB-CG 4.5Å; K277-W314 HydrophobicContact CB-CZ3 3.93Å; K277-W314 HydrophobicContact CD-CB 4.11Å; K277-W314 HydrophobicContact CD-CD2 3.85Å; K277-W314 HydrophobicContact CD-CE3 4.33Å; K277-W314 HydrophobicContact CD-CG 3.75Å; K277-W314 HydrophobicContact CG-CD2 3.76Å; K277-W314 HydrophobicContact CG-CE3 3.81Å; K277-W314 HydrophobicContact CG-CG 4.22Å; K277-W314 HydrophobicContact CG-CH2 4.43Å; K277-W314 HydrophobicContact CG-CZ2 4.4Å; K277-W314 HydrophobicContact CG-CZ3 4.14Å |
| 278 | N | 88.2 | Confident | 89.5 | Confident | 98 Ų | 98 | 50.9 Ų | 50.9 | 52% | 0.524 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.2 | -52.9 | 179.8 | -78.2 | -30.4 | 0 | 0 | 0 | 111 | E276 A280 C281 E282 L316 | E276-N278 PolarHBondContact O-N 2.88Å; N278-A280 VanDerWaalsContact C-N 3.3Å; N278-A280 PolarHBondContact O-N 2.89Å; N278-C281 PolarHBondContact O-N 3.14Å; N278-E282 WeakPolarHBondContact O-CG 3.39Å; N278-E282 PolarHBondContact O-N 3.35Å; N278-L316 WeakPolarHBondContact OD1-CD2 3.35Å |
| 279 | D | 87.4 | Confident | 89.4 | Confident | 51 Ų | 51 | 53 Ų | 53 | 27% | 0.273 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.5 | -40 | 179.3 | -78 | 32.7 | 0 | 0 | 0 | 111.4 | R245 L271 E276 E282 V283 | R245-D279 IonicContact CZ-OD2 3.91Å; R245-D279 IonicContact NH1-OD2 3.97Å; R245-D279 IonicContact NH2-OD2 2.94Å; R245-D279 PolarHBondContact NH2-OD2 2.89Å; L271-D279 HydrophobicContact CD1-CB 4.07Å; L271-D279 HydrophobicContact CD2-CB 3.96Å; E276-D279 HydrophobicContact CB-CB 4.35Å; E276-D279 PolarHBondContact O-N 3.49Å; D279-E282 PolarHBondContact O-N 3.11Å; D279-V283 VanDerWaalsContact O-CG2 3.29Å; D279-V283 WeakPolarHBondContact O-CG2 3.37Å; D279-V283 PolarHBondContact O-N 3.42Å |
| 280 | A | 91 | Very high | 89.3 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.5 | -49 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L271 I272 E276 N278 V283 M284 W314 | L271-A280 HydrophobicContact CB-CB 3.96Å; I272-A280 HydrophobicContact CG1-CB 4.11Å; E276-A280 PolarHBondContact O-N 3.02Å; N278-A280 VanDerWaalsContact C-N 3.3Å; N278-A280 PolarHBondContact O-N 2.89Å; A280-V283 PolarHBondContact O-N 2.98Å; A280-M284 WeakPolarHBondContact O-CG 3.3Å; A280-M284 PolarHBondContact O-N 3.28Å; A280-W314 HydrophobicContact CB-CZ3 4.39Å |
| 281 | C | 91.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.9 | -37.2 | 176.6 | -77.1 | 0 | 0 | 0 | 0 | 112.7 | K277 N278 M284 F285 C307 L316 F320 | K277-C281 PolarHBondContact O-N 3.48Å; K277-C281 VanDerWaalsContact O-N 3.16Å; N278-C281 PolarHBondContact O-N 3.14Å; C281-M284 PolarHBondContact O-N 2.71Å; C281-F285 WeakPolarHBondContact O-CB 3.31Å; C281-F285 PolarHBondContact O-N 2.9Å; C281-C307 PolarHBondContact O-SG 2.93Å; C281-L316 HydrophobicContact CB-CD1 3.78Å; C281-F320 HydrophobicContact CB-CE1 3.75Å; C281-F320 HydrophobicContact CB-CZ 3.93Å |
| 282 | E | 90.5 | Very high | 88.9 | Confident | 114 Ų | 114 | 54 Ų | 54 | 53% | 0.533 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.1 | -42.2 | 175.8 | -75.1 | -170.8 | 172.2 | 0 | 0 | 112.3 | N278 D279 F285 F286 F320 | N278-E282 WeakPolarHBondContact O-CG 3.39Å; N278-E282 PolarHBondContact O-N 3.35Å; D279-E282 PolarHBondContact O-N 3.11Å; E282-F285 PolarHBondContact O-N 2.97Å; E282-F286 PolarHBondContact O-N 2.95Å; E282-F320 HydrophobicContact CG-CE2 3.89Å; E282-F320 HydrophobicContact CG-CZ 4.35Å |
| 283 | V | 91.2 | Very high | 88.5 | Confident | 12 Ų | 12 | 59.1 Ų | 59.1 | 7% | 0.073 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.2 | -42.2 | 175.2 | 176.6 | 0 | 0 | 0 | 0 | 110.8 | F264 L267 V268 L271 D279 A280 F285 F286 V287 | F264-V283 HydrophobicContact CB-CG1 4.2Å; F264-V283 HydrophobicContact CD1-CG1 3.99Å; F264-V283 HydrophobicContact CG-CG1 4.48Å; L267-V283 HydrophobicContact CD2-CG1 4.08Å; L267-V283 HydrophobicContact CD2-CG2 3.93Å; V268-V283 HydrophobicContact CG2-CB 4Å; V268-V283 HydrophobicContact CG2-CG1 3.57Å; L271-V283 HydrophobicContact CD1-CB 4.48Å; L271-V283 HydrophobicContact CD1-CG2 3.9Å; D279-V283 VanDerWaalsContact O-CG2 3.29Å; D279-V283 WeakPolarHBondContact O-CG2 3.37Å; D279-V283 PolarHBondContact O-N 3.42Å; A280-V283 PolarHBondContact O-N 2.98Å; V283-F285 VanDerWaalsContact C-N 3.32Å; V283-F285 PolarHBondContact O-N 3.34Å; V283-F286 WeakPolarHBondContact O-CB 3.43Å; V283-F286 PolarHBondContact O-N 3.32Å; V283-V287 HydrophobicContact CG1-CG2 4.41Å; V283-V287 WeakPolarHBondContact O-CG2 3.34Å; V283-V287 PolarHBondContact O-N 3.35Å |
| 284 | M | 92.8 | Very high | 88.1 | Confident | 13 Ų | 13 | 55.1 Ų | 55.1 | 6% | 0.064 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.8 | -42.7 | 174.7 | -75 | -179 | 72.5 | 0 | 0 | 112.1 | V268 A280 C281 F286 V287 G288 V303 Q306 C307 L310 | V268-M284 HydrophobicContact CG1-CG 3.8Å; V268-M284 HydrophobicContact CG1-SD 4.13Å; V268-M284 HydrophobicContact CG2-CG 3.83Å; A280-M284 WeakPolarHBondContact O-CG 3.3Å; A280-M284 PolarHBondContact O-N 3.28Å; C281-M284 PolarHBondContact O-N 2.71Å; M284-F286 VanDerWaalsContact C-N 3.32Å; M284-F286 PolarHBondContact O-N 3.06Å; M284-V287 PolarHBondContact O-N 2.88Å; M284-G288 PolarHBondContact O-N 2.97Å; M284-V303 HydrophobicContact CB-CG1 4.37Å; M284-V303 WeakPolarHBondContact O-CG1 3.36Å; M284-Q306 HydrophobicContact CE-CB 3.79Å; M284-C307 HydrophobicContact CB-CB 4.08Å; M284-C307 HydrophobicContact CE-CB 4.22Å; M284-L310 HydrophobicContact CE-CD1 4Å; M284-L310 HydrophobicContact SD-CD1 3.71Å |
| 285 | F | 92.5 | Very high | 87.6 | Confident | 12 Ų | 12 | 55.4 Ų | 55.4 | 5% | 0.053 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 174.9 | -177.8 | -105.2 | 0 | 0 | 0 | 111.4 | C281 E282 V283 G288 Q289 I304 F320 K323 V324 F327 | C281-F285 WeakPolarHBondContact O-CB 3.31Å; C281-F285 PolarHBondContact O-N 2.9Å; E282-F285 PolarHBondContact O-N 2.97Å; V283-F285 VanDerWaalsContact C-N 3.32Å; V283-F285 PolarHBondContact O-N 3.34Å; F285-G288 PolarHBondContact O-N 3.23Å; F285-Q289 HydrophobicContact CE1-CG 4.38Å; F285-Q289 WeakPolarHBondContact O-CG 3.41Å; F285-Q289 PolarHBondContact O-N 3.45Å; F285-Q289 VanDerWaalsContact O-N 3.1Å; F285-I304 HydrophobicContact CD2-CD1 3.83Å; F285-I304 HydrophobicContact CE2-CD1 4.38Å; F285-F320 HydrophobicContact CB-CZ 4.38Å; F285-K323 HydrophobicContact CE1-CD 4.41Å; F285-K323 HydrophobicContact CZ-CD 4.47Å; F285-K323 HydrophobicContact CZ-CG 4.08Å; F285-V324 HydrophobicContact CD2-CB 4.42Å; F285-V324 HydrophobicContact CD2-CG1 4.45Å; F285-V324 HydrophobicContact CD2-CG2 3.82Å; F285-V324 HydrophobicContact CE2-CG2 4.27Å; F285-F327 HydrophobicContact CE2-CB 3.62Å; F285-F327 HydrophobicContact CE2-CD1 4.23Å; F285-F327 HydrophobicContact CE2-CD2 4.31Å; F285-F327 AromaticContact CE2-CG 3.79Å; F285-F327 HydrophobicContact CE2-CG 3.79Å; F285-F327 HydrophobicContact CZ-CB 4.1Å; F285-F327 HydrophobicContact CZ-CD2 4.24Å; F285-F327 HydrophobicContact CZ-CG 4.17Å |
| 286 | F | 89.9 | Confident | 87.4 | Confident | 49 Ų | 49 | 52.2 Ų | 52.2 | 22% | 0.215 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 175.3 | -172 | -115.8 | 0 | 0 | 0 | 112.7 | Y249 L252 F264 E282 V283 M284 G288 Q289 I290 | Y249-F286 HydrophobicContact CD1-CE1 4.08Å; Y249-F286 HydrophobicContact CD1-CZ 4.07Å; Y249-F286 HydrophobicContact CE1-CD1 4.31Å; Y249-F286 AromaticContact CE1-CE1 3.52Å; Y249-F286 HydrophobicContact CE1-CE1 3.52Å; Y249-F286 HydrophobicContact CE1-CE2 4.27Å; Y249-F286 AromaticContact CE1-CZ 3.51Å; Y249-F286 HydrophobicContact CE1-CZ 3.51Å; L252-F286 HydrophobicContact CD1-CE1 3.48Å; L252-F286 VanDerWaalsContact CD1-CE1 3.48Å; L252-F286 HydrophobicContact CD1-CZ 3.47Å; L252-F286 VanDerWaalsContact CD1-CZ 3.47Å; F264-F286 HydrophobicContact CD2-CE1 4.49Å; F264-F286 HydrophobicContact CE1-CD1 4.15Å; F264-F286 HydrophobicContact CE1-CE1 4.14Å; F264-F286 HydrophobicContact CE2-CD1 4.09Å; F264-F286 AromaticContact CE2-CE1 3.68Å; F264-F286 HydrophobicContact CE2-CE1 3.68Å; F264-F286 AromaticContact CZ-CD1 3.91Å; F264-F286 HydrophobicContact CZ-CD1 3.91Å; F264-F286 AromaticContact CZ-CE1 3.48Å; F264-F286 HydrophobicContact CZ-CE1 3.48Å; F264-F286 VanDerWaalsContact CZ-CE1 3.48Å; E282-F286 PolarHBondContact O-N 2.95Å; V283-F286 WeakPolarHBondContact O-CB 3.43Å; V283-F286 PolarHBondContact O-N 3.32Å; M284-F286 VanDerWaalsContact C-N 3.32Å; M284-F286 PolarHBondContact O-N 3.06Å; F286-G288 VanDerWaalsContact C-N 3.34Å; F286-G288 PolarHBondContact O-N 3.01Å; F286-Q289 WeakPolarHBondContact O-CB 3.35Å; F286-Q289 PolarHBondContact O-N 2.97Å; F286-Q289 VanDerWaalsContact O-N 3.15Å; F286-I290 HydrophobicContact CD1-CD1 3.83Å; F286-I290 HydrophobicContact CE1-CD1 3.7Å; F286-I290 HydrophobicContact CE1-CG1 4.32Å; F286-I290 HydrophobicContact CZ-CD1 4.32Å; F286-I290 HydrophobicContact CZ-CG1 4.48Å; F286-I290 WeakPolarHBondContact O-CG1 3.5Å; F286-I290 PolarHBondContact O-N 3.03Å |
| 287 | V | 90.7 | Very high | 87.2 | Confident | 11 Ų | 11 | 50.9 Ų | 50.9 | 7% | 0.067 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.9 | -42.7 | 174.1 | 168.8 | 0 | 0 | 0 | 0 | 111.5 | L261 F264 V283 M284 Q289 I290 Y291 V303 | L261-V287 HydrophobicContact CD2-CG1 3.87Å; F264-V287 HydrophobicContact CB-CG2 3.44Å; F264-V287 VanDerWaalsContact CB-CG2 3.44Å; F264-V287 HydrophobicContact CG-CG2 4.18Å; V283-V287 HydrophobicContact CG1-CG2 4.41Å; V283-V287 WeakPolarHBondContact O-CG2 3.34Å; V283-V287 PolarHBondContact O-N 3.35Å; M284-V287 PolarHBondContact O-N 2.88Å; V287-Q289 VanDerWaalsContact C-N 3.34Å; V287-Q289 PolarHBondContact O-N 3.33Å; V287-I290 PolarHBondContact O-N 3.14Å; V287-Y291 HydrophobicContact CG1-CD2 3.67Å; V287-Y291 HydrophobicContact CG1-CE2 3.43Å; V287-Y291 VanDerWaalsContact CG1-CE2 3.43Å; V287-Y291 VanDerWaalsContact O-CD2 3.31Å; V287-Y291 WeakPolarHBondContact O-CD2 3.45Å; V287-Y291 PolarHBondContact O-N 3.26Å; V287-V303 HydrophobicContact CB-CG1 4.35Å; V287-V303 HydrophobicContact CG1-CG1 4.09Å; V287-V303 HydrophobicContact CG1-CG2 4.46Å |
| 288 | G | 88.7 | Confident | 87 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.3 | -41.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | M284 F285 F286 I290 Y291 Q292 S300 | M284-G288 PolarHBondContact O-N 2.97Å; F285-G288 PolarHBondContact O-N 3.23Å; F286-G288 VanDerWaalsContact C-N 3.34Å; F286-G288 PolarHBondContact O-N 3.01Å; G288-I290 VanDerWaalsContact C-N 3.35Å; G288-I290 PolarHBondContact O-N 3.04Å; G288-Y291 PolarHBondContact O-N 3.1Å; G288-Q292 PolarHBondContact O-N 3Å; G288-S300 PolarHBondContact O-OG 3.47Å |
| 289 | Q | 88.3 | Confident | 86.9 | Confident | 63 Ų | 63 | 49.7 Ų | 49.7 | 29% | 0.294 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.1 | -39.1 | 174.5 | -68.2 | -176.6 | -26.6 | 0 | 0 | 113 | F285 F286 V287 Q292 K293 F327 | F285-Q289 HydrophobicContact CE1-CG 4.38Å; F285-Q289 WeakPolarHBondContact O-CG 3.41Å; F285-Q289 PolarHBondContact O-N 3.45Å; F285-Q289 VanDerWaalsContact O-N 3.1Å; F286-Q289 WeakPolarHBondContact O-CB 3.35Å; F286-Q289 PolarHBondContact O-N 2.97Å; F286-Q289 VanDerWaalsContact O-N 3.15Å; V287-Q289 VanDerWaalsContact C-N 3.34Å; V287-Q289 PolarHBondContact O-N 3.33Å; Q289-Q292 PolarHBondContact O-N 3.01Å; Q289-K293 WeakPolarHBondContact O-CG 3.5Å; Q289-K293 PolarHBondContact O-N 3.32Å; Q289-F327 HydrophobicContact CB-CZ 4.39Å; Q289-F327 HydrophobicContact CG-CD2 4.42Å; Q289-F327 HydrophobicContact CG-CE2 3.7Å; Q289-F327 HydrophobicContact CG-CZ 3.79Å |
| 290 | I | 86.7 | Confident | 87 | Confident | 14 Ų | 14 | 47.2 Ų | 47.2 | 7% | 0.072 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.7 | -47.2 | 175 | -62 | 161.7 | 0 | 0 | 0 | 110 | L252 L261 F264 F286 V287 G288 Q292 K293 S294 | L252-I290 HydrophobicContact CD1-CD1 3.74Å; L252-I290 HydrophobicContact CD1-CG1 4.11Å; L252-I290 HydrophobicContact CD2-CD1 4Å; L252-I290 HydrophobicContact CD2-CG1 4.07Å; L252-I290 HydrophobicContact CD2-CG2 4.01Å; L252-I290 HydrophobicContact CG-CD1 4.36Å; L261-I290 HydrophobicContact CD1-CG2 4.26Å; L261-I290 HydrophobicContact CD2-CB 4.05Å; L261-I290 HydrophobicContact CD2-CD1 4.35Å; L261-I290 HydrophobicContact CD2-CG2 3.78Å; L261-I290 HydrophobicContact CG-CG2 3.96Å; F264-I290 HydrophobicContact CD2-CD1 3.76Å; F264-I290 HydrophobicContact CE2-CD1 3.77Å; F286-I290 HydrophobicContact CD1-CD1 3.83Å; F286-I290 HydrophobicContact CE1-CD1 3.7Å; F286-I290 HydrophobicContact CE1-CG1 4.32Å; F286-I290 HydrophobicContact CZ-CD1 4.32Å; F286-I290 HydrophobicContact CZ-CG1 4.48Å; F286-I290 WeakPolarHBondContact O-CG1 3.5Å; F286-I290 PolarHBondContact O-N 3.03Å; V287-I290 PolarHBondContact O-N 3.14Å; G288-I290 VanDerWaalsContact C-N 3.35Å; G288-I290 PolarHBondContact O-N 3.04Å; I290-Q292 VanDerWaalsContact C-N 3.31Å; I290-Q292 PolarHBondContact O-N 3.23Å; I290-K293 PolarHBondContact O-N 3.47Å; I290-S294 WeakPolarHBondContact O-CB 3.43Å; I290-S294 PolarHBondContact O-N 3.33Å; I290-S294 PolarHBondContact O-OG 3.2Å |
| 291 | Y | 87.4 | Confident | 86.9 | Confident | 53 Ų | 53 | 48.5 Ų | 48.5 | 21% | 0.208 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.5 | -41.6 | 177.7 | -81.3 | -57.5 | 0 | 0 | 0 | 112.2 | L261 V287 G288 S294 G295 N296 C299 V303 | L261-Y291 HydrophobicContact CD1-CD1 3.96Å; L261-Y291 HydrophobicContact CD1-CE1 3.5Å; L261-Y291 VanDerWaalsContact CD1-CE1 3.5Å; L261-Y291 HydrophobicContact CD2-CD1 4.43Å; L261-Y291 HydrophobicContact CD2-CD2 4.14Å; L261-Y291 HydrophobicContact CD2-CE1 4.15Å; L261-Y291 HydrophobicContact CD2-CE2 3.83Å; L261-Y291 HydrophobicContact CD2-CG 4.42Å; L261-Y291 HydrophobicContact CG-CE1 4.42Å; V287-Y291 HydrophobicContact CG1-CD2 3.67Å; V287-Y291 HydrophobicContact CG1-CE2 3.43Å; V287-Y291 VanDerWaalsContact CG1-CE2 3.43Å; V287-Y291 VanDerWaalsContact O-CD2 3.31Å; V287-Y291 WeakPolarHBondContact O-CD2 3.45Å; V287-Y291 PolarHBondContact O-N 3.26Å; G288-Y291 PolarHBondContact O-N 3.1Å; Y291-S294 WeakPolarHBondContact CA-OG 3.32Å; Y291-S294 PolarHBondContact O-N 2.99Å; Y291-S294 PolarHBondContact O-OG 3.2Å; Y291-G295 PolarHBondContact O-N 3.1Å; Y291-N296 HydrophobicContact CD1-CB 4.01Å; Y291-N296 PolarHBondContact O-N 3.41Å; Y291-N296 VanDerWaalsContact O-N 3.13Å; Y291-C299 HydrophobicContact CD1-CB 3.71Å; Y291-C299 HydrophobicContact CD2-CB 4.16Å; Y291-C299 HydrophobicContact CE1-CB 3.88Å; Y291-C299 HydrophobicContact CE2-CB 4.31Å; Y291-C299 HydrophobicContact CG-CB 3.87Å; Y291-V303 HydrophobicContact CD2-CG2 4.25Å; Y291-V303 HydrophobicContact CE2-CG2 4.1Å |
| 292 | Q | 85.8 | Confident | 86.8 | Confident | 58 Ų | 58 | 52 Ų | 52 | 27% | 0.271 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.6 | -48.8 | 174.3 | -173.3 | -160.8 | 12.2 | 0 | 0 | 111.6 | G288 Q289 I290 S294 G295 L297 F327 L331 | G288-Q292 PolarHBondContact O-N 3Å; Q289-Q292 PolarHBondContact O-N 3.01Å; I290-Q292 VanDerWaalsContact C-N 3.31Å; I290-Q292 PolarHBondContact O-N 3.23Å; Q292-S294 PolarHBondContact O-N 3.49Å; Q292-G295 PolarHBondContact O-N 3.21Å; Q292-G295 VanDerWaalsContact O-N 3.12Å; Q292-L297 HydrophobicContact CG-CD2 4.29Å; Q292-F327 HydrophobicContact CB-CZ 4.1Å; Q292-F327 HydrophobicContact CG-CZ 4.44Å; Q292-L331 HydrophobicContact CB-CD1 4.37Å; Q292-L331 HydrophobicContact CG-CD1 4.02Å |
| 293 | K | 79.3 | Confident | 86.8 | Confident | 189 Ų | 189 | 47.6 Ų | 47.6 | 82% | 0.822 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -63.8 | -29.5 | 177.9 | -73.7 | -175.7 | 177.6 | -174.1 | 0 | 113 | Q289 I290 G295 | Q289-K293 WeakPolarHBondContact O-CG 3.5Å; Q289-K293 PolarHBondContact O-N 3.32Å; I290-K293 PolarHBondContact O-N 3.47Å; K293-G295 VanDerWaalsContact C-N 3.27Å; K293-G295 PolarHBondContact O-N 3.48Å |
| 294 | S | 78.5 | Confident | 86.9 | Confident | 51 Ų | 51 | 47 Ų | 47 | 36% | 0.357 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -5.1 | 176.1 | 73.5 | 0 | 0 | 0 | 0 | 114.5 | I290 Y291 Q292 N296 | I290-S294 WeakPolarHBondContact O-CB 3.43Å; I290-S294 PolarHBondContact O-N 3.33Å; I290-S294 PolarHBondContact O-OG 3.2Å; Y291-S294 WeakPolarHBondContact CA-OG 3.32Å; Y291-S294 PolarHBondContact O-N 2.99Å; Y291-S294 PolarHBondContact O-OG 3.2Å; Q292-S294 PolarHBondContact O-N 3.49Å; S294-N296 VanDerWaalsContact C-N 3.26Å; S294-N296 PolarHBondContact O-N 3.45Å |
| 295 | G | 76.7 | Confident | 86.9 | Confident | 54 Ų | 54 | 53.2 Ų | 53.2 | 56% | 0.557 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | -4.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115 | Y291 Q292 K293 L297 | Y291-G295 PolarHBondContact O-N 3.1Å; Q292-G295 PolarHBondContact O-N 3.21Å; Q292-G295 VanDerWaalsContact O-N 3.12Å; K293-G295 VanDerWaalsContact C-N 3.27Å; K293-G295 PolarHBondContact O-N 3.48Å; G295-L297 PolarHBondContact O-N 2.85Å |
| 296 | N | 82.1 | Confident | 86.9 | Confident | 89 Ų | 89 | 57.8 Ų | 57.8 | 48% | 0.476 | 30% | 0.3 | S | S | . | . | trans | -79.7 | 66.1 | 175.5 | -73.9 | -43.6 | 0 | 0 | 0 | 111.7 | Y291 S294 N298 C299 S300 | Y291-N296 HydrophobicContact CD1-CB 4.01Å; Y291-N296 PolarHBondContact O-N 3.41Å; Y291-N296 VanDerWaalsContact O-N 3.13Å; S294-N296 VanDerWaalsContact C-N 3.26Å; S294-N296 PolarHBondContact O-N 3.45Å; N296-N298 VanDerWaalsContact C-N 3.31Å; N296-N298 PolarHBondContact O-N 3.12Å; N296-C299 HydrophobicContact CB-CB 4.33Å; N296-C299 PolarHBondContact O-N 3.04Å; N296-S300 PolarHBondContact O-N 3.27Å; N296-S300 VanDerWaalsContact O-N 3.11Å | ||
| 297 | L | 83.6 | Confident | 87 | Confident | 44 Ų | 44 | 55.5 Ų | 55.5 | 23% | 0.23 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.3 | -35.8 | -172.9 | -59 | 176.7 | 0 | 0 | 0 | 113.1 | Q292 G295 S300 L301 L331 M335 | Q292-L297 HydrophobicContact CG-CD2 4.29Å; G295-L297 PolarHBondContact O-N 2.85Å; L297-S300 WeakPolarHBondContact O-CB 3.39Å; L297-S300 PolarHBondContact O-N 2.88Å; L297-L301 WeakPolarHBondContact O-CB 3.29Å; L297-L301 PolarHBondContact O-N 3.29Å; L297-L331 HydrophobicContact CD2-CD1 3.92Å; L297-M335 HydrophobicContact CB-CG 4.03Å; L297-M335 HydrophobicContact CB-SD 3.2Å; L297-M335 WeakPolarHBondContact CB-SD 3.33Å; L297-M335 HydrophobicContact CD1-CG 4.15Å; L297-M335 HydrophobicContact CD1-SD 3.5Å; L297-M335 VanDerWaalsContact CD1-SD 3.5Å; L297-M335 HydrophobicContact CG-SD 3.98Å |
| 298 | N | 84.4 | Confident | 87 | Confident | 113 Ų | 113 | 55.3 Ų | 55.3 | 60% | 0.604 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -61.9 | -46.1 | 176.7 | -74.3 | -28.7 | 0 | 0 | 0 | 112.3 | N296 L301 T302 M335 | N296-N298 VanDerWaalsContact C-N 3.31Å; N296-N298 PolarHBondContact O-N 3.12Å; N298-L301 WeakPolarHBondContact O-CB 3.49Å; N298-L301 PolarHBondContact O-N 3.03Å; N298-T302 WeakPolarHBondContact O-CG2 3.42Å; N298-T302 PolarHBondContact O-N 3.37Å; N298-T302 VanDerWaalsContact O-N 3.09Å; N298-M335 WeakPolarHBondContact OD1-CE 3.46Å |
| 299 | C | 85.7 | Confident | 87.1 | Confident | 53 Ų | 53 | 58.8 Ų | 58.8 | 36% | 0.358 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.7 | -44 | 177.2 | -63.8 | 0 | 0 | 0 | 0 | 110.9 | Y291 N296 L301 T302 V303 | Y291-C299 HydrophobicContact CD1-CB 3.71Å; Y291-C299 HydrophobicContact CD2-CB 4.16Å; Y291-C299 HydrophobicContact CE1-CB 3.88Å; Y291-C299 HydrophobicContact CE2-CB 4.31Å; Y291-C299 HydrophobicContact CG-CB 3.87Å; N296-C299 HydrophobicContact CB-CB 4.33Å; N296-C299 PolarHBondContact O-N 3.04Å; C299-L301 VanDerWaalsContact C-N 3.26Å; C299-L301 PolarHBondContact O-N 2.84Å; C299-T302 PolarHBondContact O-N 3.37Å; C299-T302 PolarHBondContact O-OG1 2.95Å; C299-V303 WeakPolarHBondContact O-CG2 3.41Å; C299-V303 PolarHBondContact O-N 2.69Å |
| 300 | S | 89.8 | Confident | 87.2 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -53.9 | -45 | 172.8 | 178.9 | 0 | 0 | 0 | 0 | 111.5 | G288 N296 L297 T302 V303 I304 L331 | G288-S300 PolarHBondContact O-OG 3.47Å; N296-S300 PolarHBondContact O-N 3.27Å; N296-S300 VanDerWaalsContact O-N 3.11Å; L297-S300 WeakPolarHBondContact O-CB 3.39Å; L297-S300 PolarHBondContact O-N 2.88Å; S300-T302 PolarHBondContact O-N 3.24Å; S300-V303 PolarHBondContact O-N 3.38Å; S300-I304 WeakPolarHBondContact O-CB 3.33Å; S300-I304 WeakPolarHBondContact O-CG1 3.3Å; S300-I304 PolarHBondContact O-N 2.91Å; S300-L331 VanDerWaalsContact OG-CD2 3.32Å; S300-L331 WeakPolarHBondContact OG-CD2 3.25Å |
| 301 | L | 88.6 | Confident | 87.4 | Confident | 27 Ų | 27 | 57 Ų | 57 | 14% | 0.141 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.7 | -46.2 | -177.9 | -173.4 | 157.1 | 0 | 0 | 0 | 111 | L297 N298 C299 R305 L331 | L297-L301 WeakPolarHBondContact O-CB 3.29Å; L297-L301 PolarHBondContact O-N 3.29Å; N298-L301 WeakPolarHBondContact O-CB 3.49Å; N298-L301 PolarHBondContact O-N 3.03Å; C299-L301 VanDerWaalsContact C-N 3.26Å; C299-L301 PolarHBondContact O-N 2.84Å; L301-R305 WeakPolarHBondContact O-CB 3.45Å; L301-R305 PolarHBondContact O-N 3.42Å; L301-L331 HydrophobicContact CB-CD2 3.72Å; L301-L331 HydrophobicContact CG-CD2 4.42Å; L301-L331 VanDerWaalsContact N-CD2 3.33Å |
| 302 | T | 89.1 | Confident | 87.4 | Confident | 72 Ų | 72 | 57.9 Ų | 57.9 | 44% | 0.442 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.5 | -46.7 | 178.2 | 58.2 | 0 | 0 | 0 | 0 | 112.5 | N298 C299 S300 Q306 | N298-T302 WeakPolarHBondContact O-CG2 3.42Å; N298-T302 PolarHBondContact O-N 3.37Å; N298-T302 VanDerWaalsContact O-N 3.09Å; C299-T302 PolarHBondContact O-N 3.37Å; C299-T302 PolarHBondContact O-OG1 2.95Å; S300-T302 PolarHBondContact O-N 3.24Å; T302-Q306 WeakPolarHBondContact O-CB 3.42Å; T302-Q306 VanDerWaalsContact O-CG 3.23Å; T302-Q306 WeakPolarHBondContact O-CG 3.43Å; T302-Q306 PolarHBondContact O-N 3.37Å |
| 303 | V | 91.8 | Very high | 87.6 | Confident | 22 Ų | 22 | 61.8 Ų | 61.8 | 13% | 0.133 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.2 | -43.1 | -177.2 | 175.3 | 0 | 0 | 0 | 0 | 111.5 | M284 V287 Y291 C299 S300 Q306 C307 | M284-V303 HydrophobicContact CB-CG1 4.37Å; M284-V303 WeakPolarHBondContact O-CG1 3.36Å; V287-V303 HydrophobicContact CB-CG1 4.35Å; V287-V303 HydrophobicContact CG1-CG1 4.09Å; V287-V303 HydrophobicContact CG1-CG2 4.46Å; Y291-V303 HydrophobicContact CD2-CG2 4.25Å; Y291-V303 HydrophobicContact CE2-CG2 4.1Å; C299-V303 WeakPolarHBondContact O-CG2 3.41Å; C299-V303 PolarHBondContact O-N 2.69Å; S300-V303 PolarHBondContact O-N 3.38Å; V303-Q306 PolarHBondContact O-N 3.17Å; V303-C307 WeakPolarHBondContact O-CB 3.36Å; V303-C307 PolarHBondContact O-N 2.83Å |
| 304 | I | 93.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -69.3 | -39.8 | -179.8 | -67.3 | -67.1 | 0 | 0 | 0 | 111.5 | F285 S300 Q306 C307 L308 V324 F327 L328 | F285-I304 HydrophobicContact CD2-CD1 3.83Å; F285-I304 HydrophobicContact CE2-CD1 4.38Å; S300-I304 WeakPolarHBondContact O-CB 3.33Å; S300-I304 WeakPolarHBondContact O-CG1 3.3Å; S300-I304 PolarHBondContact O-N 2.91Å; I304-Q306 VanDerWaalsContact C-N 3.35Å; I304-C307 WeakPolarHBondContact O-CB 3.46Å; I304-C307 PolarHBondContact O-N 3.05Å; I304-L308 PolarHBondContact O-N 3.45Å; I304-V324 HydrophobicContact CG2-CG1 4.02Å; I304-F327 HydrophobicContact CB-CD1 4.44Å; I304-F327 HydrophobicContact CD1-CD1 3.55Å; I304-F327 HydrophobicContact CD1-CE1 3.66Å; I304-F327 HydrophobicContact CG1-CD1 3.65Å; I304-F327 HydrophobicContact CG1-CE1 3.61Å; I304-F327 HydrophobicContact CG2-CD1 4.02Å; I304-L328 HydrophobicContact CG2-CB 3.75Å; I304-L328 HydrophobicContact CG2-CD1 3.98Å; I304-L328 HydrophobicContact CG2-CG 4.38Å |
| 305 | R | 91.9 | Very high | 88.4 | Confident | 143 Ų | 143 | 61.8 Ų | 61.8 | 54% | 0.54 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.9 | -45.6 | 175.6 | -172 | 173.6 | -179.3 | 165.4 | 1.7 | 110.7 | L301 C307 L308 D309 | L301-R305 WeakPolarHBondContact O-CB 3.45Å; L301-R305 PolarHBondContact O-N 3.42Å; R305-C307 VanDerWaalsContact C-N 3.34Å; R305-C307 PolarHBondContact O-N 3.22Å; R305-L308 PolarHBondContact O-N 2.81Å; R305-D309 PolarHBondContact O-N 3.36Å |
| 306 | Q | 91.7 | Very high | 88.9 | Confident | 109 Ų | 109 | 60 Ų | 60 | 51% | 0.509 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.7 | -42.3 | 172.9 | -72.8 | 172.1 | -2.2 | 0 | 0 | 112.2 | M284 T302 V303 I304 L308 D309 L310 | M284-Q306 HydrophobicContact CE-CB 3.79Å; T302-Q306 WeakPolarHBondContact O-CB 3.42Å; T302-Q306 VanDerWaalsContact O-CG 3.23Å; T302-Q306 WeakPolarHBondContact O-CG 3.43Å; T302-Q306 PolarHBondContact O-N 3.37Å; V303-Q306 PolarHBondContact O-N 3.17Å; I304-Q306 VanDerWaalsContact C-N 3.35Å; Q306-L308 VanDerWaalsContact C-N 3.32Å; Q306-L308 PolarHBondContact O-N 3.42Å; Q306-D309 PolarHBondContact O-N 3.37Å; Q306-L310 WeakPolarHBondContact O-CB 3.39Å; Q306-L310 WeakPolarHBondContact O-CG 3.48Å; Q306-L310 PolarHBondContact O-N 2.91Å |
| 307 | C | 92.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.5 | -41.3 | 176.5 | -175.9 | 0 | 0 | 0 | 0 | 111.9 | C281 M284 V303 I304 R305 A311 V324 | C281-C307 PolarHBondContact O-SG 2.93Å; M284-C307 HydrophobicContact CB-CB 4.08Å; M284-C307 HydrophobicContact CE-CB 4.22Å; V303-C307 WeakPolarHBondContact O-CB 3.36Å; V303-C307 PolarHBondContact O-N 2.83Å; I304-C307 WeakPolarHBondContact O-CB 3.46Å; I304-C307 PolarHBondContact O-N 3.05Å; R305-C307 VanDerWaalsContact C-N 3.34Å; R305-C307 PolarHBondContact O-N 3.22Å; C307-A311 WeakPolarHBondContact O-CB 3.46Å; C307-A311 PolarHBondContact O-N 2.89Å; C307-V324 HydrophobicContact CB-CG1 4.38Å |
| 308 | L | 91.1 | Very high | 89.3 | Confident | 8 Ų | 8 | 61.4 Ų | 61.4 | 4% | 0.042 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.2 | -41.8 | 178 | -174.4 | 61.5 | 0 | 0 | 0 | 111.6 | I304 R305 Q306 A311 K312 V324 A325 L328 | I304-L308 PolarHBondContact O-N 3.45Å; R305-L308 PolarHBondContact O-N 2.81Å; Q306-L308 VanDerWaalsContact C-N 3.32Å; Q306-L308 PolarHBondContact O-N 3.42Å; L308-A311 PolarHBondContact O-N 3.18Å; L308-K312 HydrophobicContact CG-CD 4.49Å; L308-K312 WeakPolarHBondContact O-CG 3.41Å; L308-K312 PolarHBondContact O-N 3.13Å; L308-V324 HydrophobicContact CB-CG1 3.8Å; L308-V324 HydrophobicContact CD1-CB 4.14Å; L308-V324 HydrophobicContact CD1-CG1 4.13Å; L308-A325 HydrophobicContact CD1-CB 4.24Å; L308-A325 HydrophobicContact CD2-CB 4.33Å; L308-L328 HydrophobicContact CD2-CD2 3.93Å |
| 309 | D | 90.4 | Very high | 89.5 | Confident | 73 Ų | 73 | 59.2 Ų | 59.2 | 39% | 0.39 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.3 | -44.7 | 178.5 | -69 | -25.8 | 0 | 0 | 0 | 111.3 | R305 Q306 K312 Q313 | R305-D309 PolarHBondContact O-N 3.36Å; Q306-D309 PolarHBondContact O-N 3.37Å; D309-K312 PolarHBondContact O-N 3.29Å; D309-Q313 VanDerWaalsContact O-CG 3.29Å; D309-Q313 WeakPolarHBondContact O-CG 3.44Å; D309-Q313 PolarHBondContact O-N 2.83Å |
| 310 | L | 90.8 | Very high | 89.6 | Confident | 39 Ų | 39 | 58.2 Ų | 58.2 | 20% | 0.204 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 174.4 | -71.4 | 172.8 | 0 | 0 | 0 | 112.1 | M284 Q306 K312 Q313 W314 | M284-L310 HydrophobicContact CE-CD1 4Å; M284-L310 HydrophobicContact SD-CD1 3.71Å; Q306-L310 WeakPolarHBondContact O-CB 3.39Å; Q306-L310 WeakPolarHBondContact O-CG 3.48Å; Q306-L310 PolarHBondContact O-N 2.91Å; L310-K312 PolarHBondContact O-N 3.02Å; L310-Q313 PolarHBondContact O-N 3.45Å; L310-W314 HydrophobicContact CB-CE3 4.3Å; L310-W314 HydrophobicContact CB-CH2 4.47Å; L310-W314 HydrophobicContact CB-CZ3 4.25Å; L310-W314 HydrophobicContact CD1-CH2 4.29Å; L310-W314 HydrophobicContact CD2-CH2 4.24Å; L310-W314 HydrophobicContact CD2-CZ2 3.95Å; L310-W314 WeakPolarHBondContact O-CB 3.42Å; L310-W314 PolarHBondContact O-N 3.26Å |
| 311 | A | 90.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.4 | -31.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | C307 L308 E315 L316 F320 Q321 | C307-A311 WeakPolarHBondContact O-CB 3.46Å; C307-A311 PolarHBondContact O-N 2.89Å; L308-A311 PolarHBondContact O-N 3.18Å; A311-E315 PolarHBondContact O-N 3.06Å; A311-L316 HydrophobicContact CB-CB 4.36Å; A311-L316 HydrophobicContact CB-CD1 3.94Å; A311-L316 HydrophobicContact CB-CG 4.33Å; A311-L316 PolarHBondContact O-N 2.88Å; A311-F320 HydrophobicContact CB-CD1 4.25Å; A311-F320 HydrophobicContact CB-CE1 4.22Å; A311-Q321 HydrophobicContact CB-CG 4.29Å; A311-Q321 PolarHBondContact O-NE2 3.45Å |
| 312 | K | 88.4 | Confident | 89.7 | Confident | 71 Ų | 71 | 58.2 Ų | 58.2 | 31% | 0.309 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -73.3 | -45.8 | 171.5 | -75.1 | 172.9 | 176.2 | 179.3 | 0 | 111.6 | L308 D309 L310 W314 E315 E347 | L308-K312 HydrophobicContact CG-CD 4.49Å; L308-K312 WeakPolarHBondContact O-CG 3.41Å; L308-K312 PolarHBondContact O-N 3.13Å; D309-K312 PolarHBondContact O-N 3.29Å; L310-K312 PolarHBondContact O-N 3.02Å; K312-W314 VanDerWaalsContact C-N 3.33Å; K312-W314 PolarHBondContact O-N 3.26Å; K312-E315 PolarHBondContact O-N 2.62Å; K312-E347 IonicContact NZ-OE1 2.67Å; K312-E347 PolarHBondContact NZ-OE1 3.43Å |
| 313 | Q | 89.3 | Confident | 89.8 | Confident | 141 Ų | 141 | 60.6 Ų | 60.6 | 66% | 0.659 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -62.8 | -37 | 179.5 | -74.8 | 175.4 | 6.9 | 0 | 0 | 113.1 | D309 L310 E315 | D309-Q313 VanDerWaalsContact O-CG 3.29Å; D309-Q313 WeakPolarHBondContact O-CG 3.44Å; D309-Q313 PolarHBondContact O-N 2.83Å; L310-Q313 PolarHBondContact O-N 3.45Å; Q313-E315 VanDerWaalsContact C-N 3.34Å |
| 314 | W | 89 | Confident | 89.8 | Confident | 64 Ų | 64 | 59.6 Ų | 59.6 | 24% | 0.242 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 6.5 | 179.4 | -63.8 | -21.4 | 0 | 0 | 0 | 114.1 | I272 K277 A280 L310 K312 L316 | I272-W314 HydrophobicContact CG1-CH2 4.3Å; K277-W314 HydrophobicContact CB-CD2 3.97Å; K277-W314 HydrophobicContact CB-CE3 3.55Å; K277-W314 HydrophobicContact CB-CG 4.5Å; K277-W314 HydrophobicContact CB-CZ3 3.93Å; K277-W314 HydrophobicContact CD-CB 4.11Å; K277-W314 HydrophobicContact CD-CD2 3.85Å; K277-W314 HydrophobicContact CD-CE3 4.33Å; K277-W314 HydrophobicContact CD-CG 3.75Å; K277-W314 HydrophobicContact CG-CD2 3.76Å; K277-W314 HydrophobicContact CG-CE3 3.81Å; K277-W314 HydrophobicContact CG-CG 4.22Å; K277-W314 HydrophobicContact CG-CH2 4.43Å; K277-W314 HydrophobicContact CG-CZ2 4.4Å; K277-W314 HydrophobicContact CG-CZ3 4.14Å; A280-W314 HydrophobicContact CB-CZ3 4.39Å; L310-W314 HydrophobicContact CB-CE3 4.3Å; L310-W314 HydrophobicContact CB-CH2 4.47Å; L310-W314 HydrophobicContact CB-CZ3 4.25Å; L310-W314 HydrophobicContact CD1-CH2 4.29Å; L310-W314 HydrophobicContact CD2-CH2 4.24Å; L310-W314 HydrophobicContact CD2-CZ2 3.95Å; L310-W314 WeakPolarHBondContact O-CB 3.42Å; L310-W314 PolarHBondContact O-N 3.26Å; K312-W314 VanDerWaalsContact C-N 3.33Å; K312-W314 PolarHBondContact O-N 3.26Å; W314-L316 VanDerWaalsContact C-N 3.27Å; W314-L316 HydrophobicContact CB-CD2 4.17Å; W314-L316 HydrophobicContact CB-CG 4.29Å; W314-L316 PolarHBondContact O-N 3.44Å |
| 315 | E | 86.2 | Confident | 89.7 | Confident | 175 Ų | 175 | 59.6 Ų | 59.6 | 82% | 0.818 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 42.4 | 179.9 | -59.7 | -169.3 | 158.5 | 0 | 0 | 113.8 | A311 K312 Q313 | A311-E315 PolarHBondContact O-N 3.06Å; K312-E315 PolarHBondContact O-N 2.62Å; Q313-E315 VanDerWaalsContact C-N 3.34Å |
| 316 | L | 86.4 | Confident | 89.7 | Confident | 16 Ų | 16 | 53.7 Ų | 53.7 | 8% | 0.084 | 27% | 0.265 | C | S | . | . | trans | -63.6 | 163.8 | 176.5 | -59.8 | -169.7 | 0 | 0 | 0 | 111.8 | N278 C281 A311 W314 K318 F320 Q321 | N278-L316 WeakPolarHBondContact OD1-CD2 3.35Å; C281-L316 HydrophobicContact CB-CD1 3.78Å; A311-L316 HydrophobicContact CB-CB 4.36Å; A311-L316 HydrophobicContact CB-CD1 3.94Å; A311-L316 HydrophobicContact CB-CG 4.33Å; A311-L316 PolarHBondContact O-N 2.88Å; W314-L316 VanDerWaalsContact C-N 3.27Å; W314-L316 HydrophobicContact CB-CD2 4.17Å; W314-L316 HydrophobicContact CB-CG 4.29Å; W314-L316 PolarHBondContact O-N 3.44Å; L316-K318 PolarHBondContact O-N 3.47Å; L316-F320 HydrophobicContact CD1-CD1 4.17Å; L316-F320 HydrophobicContact CD1-CE1 4.24Å; L316-Q321 PolarHBondContact O-NE2 3.41Å; L316-Q321 VanDerWaalsContact O-NE2 3.16Å | ||
| 317 | A | 87.5 | Confident | 89.7 | Confident | 66 Ų | 66 | 49.6 Ų | 49.6 | 55% | 0.545 | 25% | 0.245 | S | C | . | . | trans | -51.3 | 130.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V319 F320 Q321 | A317-V319 PolarHBondContact O-N 3.43Å; A317-V319 VanDerWaalsContact O-N 3.08Å; A317-F320 WeakPolarHBondContact O-CA 3.42Å; A317-F320 WeakPolarHBondContact O-CB 3.44Å; A317-F320 PolarHBondContact O-N 3.02Å; A317-Q321 PolarHBondContact O-N 2.76Å; A317-Q321 VanDerWaalsContact O-N 3.13Å | ||
| 318 | K | 87.1 | Confident | 89.7 | Confident | 98 Ų | 98 | 50 Ų | 50 | 43% | 0.426 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -55.2 | -32.2 | -178.9 | -68.5 | 177.7 | -176.9 | 161.3 | 0 | 113 | L316 F320 Q321 T322 I351 K354 | L316-K318 PolarHBondContact O-N 3.47Å; K318-F320 VanDerWaalsContact C-N 3.33Å; K318-F320 PolarHBondContact O-N 3.49Å; K318-Q321 PolarHBondContact O-N 2.87Å; K318-T322 PolarHBondContact O-N 3.23Å; K318-T322 PolarHBondContact O-OG1 3.21Å; K318-T322 VanDerWaalsContact O-OG1 3.12Å; K318-I351 HydrophobicContact CB-CG2 4.32Å; K318-K354 HydrophobicContact CD-CB 3.95Å; K318-K354 WeakPolarHBondContact CD-O 3.39Å; K318-K354 PolarHBondContact NZ-O 2.87Å; K318-K354 VanDerWaalsContact NZ-O 3.1Å |
| 319 | V | 87.7 | Confident | 89.6 | Confident | 67 Ų | 67 | 49.6 Ų | 49.6 | 41% | 0.406 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.4 | -43.3 | 174.6 | -179.7 | 0 | 0 | 0 | 0 | 111.2 | A317 T322 K323 D357 A360 | A317-V319 PolarHBondContact O-N 3.43Å; A317-V319 VanDerWaalsContact O-N 3.08Å; V319-T322 PolarHBondContact O-N 3Å; V319-K323 PolarHBondContact O-N 3.37Å; V319-D357 HydrophobicContact CG2-CB 4.25Å; V319-A360 HydrophobicContact CG1-CB 4.5Å |
| 320 | F | 88.3 | Confident | 89.4 | Confident | 31 Ų | 31 | 48.4 Ų | 48.4 | 14% | 0.136 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.1 | -43 | 175.7 | -175.9 | -97.3 | 0 | 0 | 0 | 111.5 | C281 E282 F285 A311 L316 A317 K318 T322 K323 V324 | C281-F320 HydrophobicContact CB-CE1 3.75Å; C281-F320 HydrophobicContact CB-CZ 3.93Å; E282-F320 HydrophobicContact CG-CE2 3.89Å; E282-F320 HydrophobicContact CG-CZ 4.35Å; F285-F320 HydrophobicContact CB-CZ 4.38Å; A311-F320 HydrophobicContact CB-CD1 4.25Å; A311-F320 HydrophobicContact CB-CE1 4.22Å; L316-F320 HydrophobicContact CD1-CD1 4.17Å; L316-F320 HydrophobicContact CD1-CE1 4.24Å; A317-F320 WeakPolarHBondContact O-CA 3.42Å; A317-F320 WeakPolarHBondContact O-CB 3.44Å; A317-F320 PolarHBondContact O-N 3.02Å; K318-F320 VanDerWaalsContact C-N 3.33Å; K318-F320 PolarHBondContact O-N 3.49Å; F320-T322 VanDerWaalsContact C-N 3.32Å; F320-T322 PolarHBondContact O-N 3.4Å; F320-K323 WeakPolarHBondContact O-CB 3.41Å; F320-K323 PolarHBondContact O-N 2.91Å; F320-K323 VanDerWaalsContact O-N 3.12Å; F320-V324 HydrophobicContact CD1-CG2 4.04Å; F320-V324 HydrophobicContact CE1-CG2 3.6Å; F320-V324 HydrophobicContact CE2-CG2 4.4Å; F320-V324 HydrophobicContact CZ-CG2 3.81Å; F320-V324 WeakPolarHBondContact O-CG2 3.3Å; F320-V324 PolarHBondContact O-N 3.45Å |
| 321 | Q | 90.4 | Very high | 89.3 | Confident | 25 Ų | 25 | 46.6 Ų | 46.6 | 12% | 0.117 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.7 | -42.3 | 175 | -64.4 | 179.7 | 2.1 | 0 | 0 | 112.1 | A311 L316 A317 K318 V324 A325 I351 | A311-Q321 HydrophobicContact CB-CG 4.29Å; A311-Q321 PolarHBondContact O-NE2 3.45Å; L316-Q321 PolarHBondContact O-NE2 3.41Å; L316-Q321 VanDerWaalsContact O-NE2 3.16Å; A317-Q321 PolarHBondContact O-N 2.76Å; A317-Q321 VanDerWaalsContact O-N 3.13Å; K318-Q321 PolarHBondContact O-N 2.87Å; Q321-V324 PolarHBondContact O-N 3.4Å; Q321-A325 WeakPolarHBondContact O-CB 3.44Å; Q321-A325 PolarHBondContact O-N 3.44Å; Q321-I351 HydrophobicContact CB-CG2 4.11Å |
| 322 | T | 90 | Very high | 89.2 | Confident | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.018 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.4 | -46.1 | 173.4 | -63 | 0 | 0 | 0 | 0 | 111.1 | K318 V319 F320 V324 A325 V326 I351 A352 A360 A364 | K318-T322 PolarHBondContact O-N 3.23Å; K318-T322 PolarHBondContact O-OG1 3.21Å; K318-T322 VanDerWaalsContact O-OG1 3.12Å; V319-T322 PolarHBondContact O-N 3Å; F320-T322 VanDerWaalsContact C-N 3.32Å; F320-T322 PolarHBondContact O-N 3.4Å; T322-V324 PolarHBondContact O-N 3.45Å; T322-A325 PolarHBondContact O-N 2.83Å; T322-V326 HydrophobicContact CG2-CG2 4.23Å; T322-V326 WeakPolarHBondContact O-CB 3.48Å; T322-V326 VanDerWaalsContact O-CG2 3.32Å; T322-V326 WeakPolarHBondContact O-CG2 3.46Å; T322-V326 PolarHBondContact O-N 3.42Å; T322-I351 WeakPolarHBondContact OG1-CG2 3.23Å; T322-A352 HydrophobicContact CG2-CB 3.77Å; T322-A352 WeakPolarHBondContact OG1-CA 3.45Å; T322-A352 PolarHBondContact OG1-N 2.89Å; T322-A360 HydrophobicContact CG2-CB 4.28Å; T322-A364 HydrophobicContact CG2-CB 4.21Å |
| 323 | K | 90.5 | Very high | 89 | Confident | 122 Ų | 122 | 44.8 Ų | 44.8 | 53% | 0.53 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -58.7 | -44.5 | 178.9 | -173.7 | -179.6 | 179.2 | -176.7 | 0 | 112.4 | F285 V319 F320 F327 | F285-K323 HydrophobicContact CE1-CD 4.41Å; F285-K323 HydrophobicContact CZ-CD 4.47Å; F285-K323 HydrophobicContact CZ-CG 4.08Å; V319-K323 PolarHBondContact O-N 3.37Å; F320-K323 WeakPolarHBondContact O-CB 3.41Å; F320-K323 PolarHBondContact O-N 2.91Å; F320-K323 VanDerWaalsContact O-N 3.12Å; K323-F327 PolarHBondContact O-N 2.61Å; K323-F327 VanDerWaalsContact O-N 3.17Å |
| 324 | V | 91.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.4 | -42.5 | 177 | -177.9 | 0 | 0 | 0 | 0 | 111.2 | F285 I304 C307 L308 F320 Q321 T322 F327 L328 | F285-V324 HydrophobicContact CD2-CB 4.42Å; F285-V324 HydrophobicContact CD2-CG1 4.45Å; F285-V324 HydrophobicContact CD2-CG2 3.82Å; F285-V324 HydrophobicContact CE2-CG2 4.27Å; I304-V324 HydrophobicContact CG2-CG1 4.02Å; C307-V324 HydrophobicContact CB-CG1 4.38Å; L308-V324 HydrophobicContact CB-CG1 3.8Å; L308-V324 HydrophobicContact CD1-CB 4.14Å; L308-V324 HydrophobicContact CD1-CG1 4.13Å; F320-V324 HydrophobicContact CD1-CG2 4.04Å; F320-V324 HydrophobicContact CE1-CG2 3.6Å; F320-V324 HydrophobicContact CE2-CG2 4.4Å; F320-V324 HydrophobicContact CZ-CG2 3.81Å; F320-V324 WeakPolarHBondContact O-CG2 3.3Å; F320-V324 PolarHBondContact O-N 3.45Å; Q321-V324 PolarHBondContact O-N 3.4Å; T322-V324 PolarHBondContact O-N 3.45Å; V324-F327 PolarHBondContact O-N 2.87Å; V324-L328 PolarHBondContact O-N 2.83Å |
| 325 | A | 92.2 | Very high | 88.2 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.008 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.1 | -40.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L308 Q321 T322 F327 L328 G329 V344 A348 | L308-A325 HydrophobicContact CD1-CB 4.24Å; L308-A325 HydrophobicContact CD2-CB 4.33Å; Q321-A325 WeakPolarHBondContact O-CB 3.44Å; Q321-A325 PolarHBondContact O-N 3.44Å; T322-A325 PolarHBondContact O-N 2.83Å; A325-F327 VanDerWaalsContact C-N 3.35Å; A325-L328 PolarHBondContact O-N 3.23Å; A325-G329 PolarHBondContact O-N 2.99Å; A325-V344 WeakPolarHBondContact O-CG1 3.49Å; A325-A348 HydrophobicContact CB-CB 3.72Å |
| 326 | V | 91.5 | Very high | 87.7 | Confident | 19 Ų | 19 | 35.6 Ų | 35.6 | 12% | 0.115 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.5 | -44 | 173.9 | 169.2 | 0 | 0 | 0 | 0 | 110.9 | T322 G329 N330 A348 A364 A367 | T322-V326 HydrophobicContact CG2-CG2 4.23Å; T322-V326 WeakPolarHBondContact O-CB 3.48Å; T322-V326 VanDerWaalsContact O-CG2 3.32Å; T322-V326 WeakPolarHBondContact O-CG2 3.46Å; T322-V326 PolarHBondContact O-N 3.42Å; V326-G329 PolarHBondContact O-N 3.15Å; V326-N330 PolarHBondContact O-N 3.39Å; V326-A348 HydrophobicContact CG2-CB 4.03Å; V326-A364 HydrophobicContact CG2-CB 4Å; V326-A367 HydrophobicContact CG1-CB 3.71Å |
| 327 | F | 91.8 | Very high | 87.5 | Confident | 23 Ų | 23 | 38.1 Ų | 38.1 | 10% | 0.101 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63 | -43 | 176.5 | -171.6 | -93.4 | 0 | 0 | 0 | 112.5 | F285 Q289 Q292 I304 K323 V324 A325 G329 N330 L331 | F285-F327 HydrophobicContact CE2-CB 3.62Å; F285-F327 HydrophobicContact CE2-CD1 4.23Å; F285-F327 HydrophobicContact CE2-CD2 4.31Å; F285-F327 AromaticContact CE2-CG 3.79Å; F285-F327 HydrophobicContact CE2-CG 3.79Å; F285-F327 HydrophobicContact CZ-CB 4.1Å; F285-F327 HydrophobicContact CZ-CD2 4.24Å; F285-F327 HydrophobicContact CZ-CG 4.17Å; Q289-F327 HydrophobicContact CB-CZ 4.39Å; Q289-F327 HydrophobicContact CG-CD2 4.42Å; Q289-F327 HydrophobicContact CG-CE2 3.7Å; Q289-F327 HydrophobicContact CG-CZ 3.79Å; Q292-F327 HydrophobicContact CB-CZ 4.1Å; Q292-F327 HydrophobicContact CG-CZ 4.44Å; I304-F327 HydrophobicContact CB-CD1 4.44Å; I304-F327 HydrophobicContact CD1-CD1 3.55Å; I304-F327 HydrophobicContact CD1-CE1 3.66Å; I304-F327 HydrophobicContact CG1-CD1 3.65Å; I304-F327 HydrophobicContact CG1-CE1 3.61Å; I304-F327 HydrophobicContact CG2-CD1 4.02Å; K323-F327 PolarHBondContact O-N 2.61Å; K323-F327 VanDerWaalsContact O-N 3.17Å; V324-F327 PolarHBondContact O-N 2.87Å; A325-F327 VanDerWaalsContact C-N 3.35Å; F327-G329 VanDerWaalsContact C-N 3.35Å; F327-G329 PolarHBondContact O-N 2.81Å; F327-N330 PolarHBondContact O-N 3.44Å; F327-L331 WeakPolarHBondContact O-CB 3.33Å; F327-L331 PolarHBondContact O-N 2.97Å |
| 328 | L | 92.1 | Very high | 87.1 | Confident | 8 Ų | 8 | 38.6 Ų | 38.6 | 4% | 0.042 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.7 | -44.1 | 175.5 | -177.7 | 61.1 | 0 | 0 | 0 | 111.6 | I304 L308 V324 A325 L331 H332 V344 | I304-L328 HydrophobicContact CG2-CB 3.75Å; I304-L328 HydrophobicContact CG2-CD1 3.98Å; I304-L328 HydrophobicContact CG2-CG 4.38Å; L308-L328 HydrophobicContact CD2-CD2 3.93Å; V324-L328 PolarHBondContact O-N 2.83Å; A325-L328 PolarHBondContact O-N 3.23Å; L328-L331 WeakPolarHBondContact O-CB 3.48Å; L328-L331 PolarHBondContact O-N 2.77Å; L328-H332 PolarHBondContact O-CD2 3.32Å; L328-H332 VanDerWaalsContact O-CD2 3.22Å; L328-H332 PolarHBondContact O-N 3.36Å; L328-V344 HydrophobicContact CB-CG1 4.08Å; L328-V344 HydrophobicContact CD2-CG1 3.98Å; L328-V344 HydrophobicContact CD2-CG2 4.35Å; L328-V344 HydrophobicContact CG-CG1 4.04Å |
| 329 | G | 89.5 | Confident | 86.8 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.3 | -47.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A325 V326 F327 L331 H332 L333 A341 | A325-G329 PolarHBondContact O-N 2.99Å; V326-G329 PolarHBondContact O-N 3.15Å; F327-G329 VanDerWaalsContact C-N 3.35Å; F327-G329 PolarHBondContact O-N 2.81Å; G329-L331 VanDerWaalsContact C-N 3.29Å; G329-L331 PolarHBondContact O-N 3.28Å; G329-H332 PolarHBondContact O-N 3.15Å; G329-L333 PolarHBondContact O-N 2.82Å; G329-L333 VanDerWaalsContact O-N 3.08Å; G329-A341 WeakPolarHBondContact O-CB 3.13Å |
| 330 | N | 87.7 | Confident | 86.7 | Confident | 48 Ų | 48 | 37.4 Ų | 37.4 | 26% | 0.257 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63 | -35.8 | 176.2 | -70.7 | -9.6 | 0 | 0 | 0 | 112.3 | V326 F327 L333 T334 | V326-N330 PolarHBondContact O-N 3.39Å; F327-N330 PolarHBondContact O-N 3.44Å; N330-L333 WeakPolarHBondContact O-CB 3.37Å; N330-L333 PolarHBondContact O-N 3.31Å; N330-T334 WeakPolarHBondContact O-CG2 3.33Å; N330-T334 PolarHBondContact O-N 3.39Å |
| 331 | L | 88.5 | Confident | 86.6 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.6 | -42.4 | 175.6 | -172.1 | 70.8 | 0 | 0 | 0 | 111.9 | Q292 L297 S300 L301 F327 L328 G329 L333 T334 M335 | Q292-L331 HydrophobicContact CB-CD1 4.37Å; Q292-L331 HydrophobicContact CG-CD1 4.02Å; L297-L331 HydrophobicContact CD2-CD1 3.92Å; S300-L331 VanDerWaalsContact OG-CD2 3.32Å; S300-L331 WeakPolarHBondContact OG-CD2 3.25Å; L301-L331 HydrophobicContact CB-CD2 3.72Å; L301-L331 HydrophobicContact CG-CD2 4.42Å; L301-L331 VanDerWaalsContact N-CD2 3.33Å; F327-L331 WeakPolarHBondContact O-CB 3.33Å; F327-L331 PolarHBondContact O-N 2.97Å; L328-L331 WeakPolarHBondContact O-CB 3.48Å; L328-L331 PolarHBondContact O-N 2.77Å; G329-L331 VanDerWaalsContact C-N 3.29Å; G329-L331 PolarHBondContact O-N 3.28Å; L331-L333 VanDerWaalsContact C-N 3.27Å; L331-L333 PolarHBondContact O-N 3.48Å; L331-T334 WeakPolarHBondContact CA-OG1 3.5Å; L331-T334 PolarHBondContact O-N 3.06Å; L331-T334 VanDerWaalsContact O-N 3.15Å; L331-T334 PolarHBondContact O-OG1 3.41Å; L331-M335 WeakPolarHBondContact O-CG 3.37Å; L331-M335 PolarHBondContact O-N 2.82Å |
| 332 | H | 86.6 | Confident | 86.4 | Confident | 8 Ų | 8 | 36.3 Ų | 36.3 | 4% | 0.037 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.1 | -35.6 | 172.5 | -79.7 | -76.3 | 0 | 0 | 0 | 112.1 | L328 G329 M335 G336 N337 E340 A341 | L328-H332 PolarHBondContact O-CD2 3.32Å; L328-H332 VanDerWaalsContact O-CD2 3.22Å; L328-H332 PolarHBondContact O-N 3.36Å; G329-H332 PolarHBondContact O-N 3.15Å; H332-M335 PolarHBondContact O-N 3.2Å; H332-G336 PolarHBondContact O-N 3.5Å; H332-N337 HydrophobicContact CB-CB 4.25Å; H332-N337 PolarHBondContact O-N 3.05Å; H332-E340 IonicContact CE1-OE2 3.79Å; H332-E340 PolarHBondContact CE1-OE2 3.32Å; H332-E340 IonicContact ND1-OE2 3.69Å; H332-E340 PolarHBondContact ND1-OE2 3.5Å; H332-A341 HydrophobicContact CB-CB 3.66Å |
| 333 | L | 83.8 | Confident | 86.4 | Confident | 26 Ų | 26 | 41.1 Ų | 41.1 | 14% | 0.136 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.7 | -43.9 | 172 | -65.5 | 174.6 | 0 | 0 | 0 | 112 | G329 N330 L331 M335 G336 A341 A371 | G329-L333 PolarHBondContact O-N 2.82Å; G329-L333 VanDerWaalsContact O-N 3.08Å; N330-L333 WeakPolarHBondContact O-CB 3.37Å; N330-L333 PolarHBondContact O-N 3.31Å; L331-L333 VanDerWaalsContact C-N 3.27Å; L331-L333 PolarHBondContact O-N 3.48Å; L333-M335 PolarHBondContact O-N 2.89Å; L333-G336 PolarHBondContact O-N 2.91Å; L333-G336 VanDerWaalsContact O-N 3.11Å; L333-A341 HydrophobicContact CD2-CB 3.5Å; L333-A341 VanDerWaalsContact CD2-CB 3.5Å; L333-A341 HydrophobicContact CG-CB 3.68Å; L333-A371 HydrophobicContact CD1-CB 3.79Å; L333-A371 HydrophobicContact CD2-CB 3.77Å; L333-A371 HydrophobicContact CG-CB 4.27Å |
| 334 | T | 81.7 | Confident | 86.3 | Confident | 74 Ų | 74 | 36.4 Ų | 36.4 | 45% | 0.454 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.3 | -24.3 | 176.6 | 57.3 | 0 | 0 | 0 | 0 | 113.2 | N330 L331 | N330-T334 WeakPolarHBondContact O-CG2 3.33Å; N330-T334 PolarHBondContact O-N 3.39Å; L331-T334 WeakPolarHBondContact CA-OG1 3.5Å; L331-T334 PolarHBondContact O-N 3.06Å; L331-T334 VanDerWaalsContact O-N 3.15Å; L331-T334 PolarHBondContact O-OG1 3.41Å |
| 335 | M | 80 | Confident | 86.3 | Confident | 59 Ų | 59 | 36.4 Ų | 36.4 | 29% | 0.291 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -10.1 | 176.1 | -72.5 | -75 | -77 | 0 | 0 | 113.9 | L297 N298 L331 H332 L333 | L297-M335 HydrophobicContact CB-CG 4.03Å; L297-M335 HydrophobicContact CB-SD 3.2Å; L297-M335 WeakPolarHBondContact CB-SD 3.33Å; L297-M335 HydrophobicContact CD1-CG 4.15Å; L297-M335 HydrophobicContact CD1-SD 3.5Å; L297-M335 VanDerWaalsContact CD1-SD 3.5Å; L297-M335 HydrophobicContact CG-SD 3.98Å; N298-M335 WeakPolarHBondContact OD1-CE 3.46Å; L331-M335 WeakPolarHBondContact O-CG 3.37Å; L331-M335 PolarHBondContact O-N 2.82Å; H332-M335 PolarHBondContact O-N 3.2Å; L333-M335 PolarHBondContact O-N 2.89Å |
| 336 | G | 77 | Confident | 86.2 | Confident | 54 Ų | 54 | 40.2 Ų | 40.2 | 56% | 0.557 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.5 | 5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | H332 L333 E338 | H332-G336 PolarHBondContact O-N 3.5Å; L333-G336 PolarHBondContact O-N 2.91Å; L333-G336 VanDerWaalsContact O-N 3.11Å; G336-E338 VanDerWaalsContact C-N 3.26Å; G336-E338 PolarHBondContact O-N 3.21Å |
| 337 | N | 81 | Confident | 86.1 | Confident | 68 Ų | 68 | 42.2 Ų | 42.2 | 36% | 0.364 | 24% | 0.239 | S | C | . | . | trans | -83 | 65 | 178.1 | -70.6 | 6.6 | 0 | 0 | 0 | 111.1 | H332 G339 E340 A341 | H332-N337 HydrophobicContact CB-CB 4.25Å; H332-N337 PolarHBondContact O-N 3.05Å; N337-G339 VanDerWaalsContact C-N 3.3Å; N337-G339 PolarHBondContact O-N 2.99Å; N337-E340 HydrophobicContact CB-CB 4.31Å; N337-E340 PolarHBondContact ND2-OE2 2.99Å; N337-E340 PolarHBondContact O-N 3.19Å; N337-A341 WeakPolarHBondContact O-CB 3.25Å; N337-A341 PolarHBondContact O-N 3.47Å | ||
| 338 | E | 79.6 | Confident | 86 | Confident | 76 Ų | 76 | 41.1 Ų | 41.1 | 36% | 0.355 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -56.3 | -39.5 | -173.2 | -64.8 | -171.3 | 177.6 | 0 | 0 | 113.9 | G336 K342 G375 | G336-E338 VanDerWaalsContact C-N 3.26Å; G336-E338 PolarHBondContact O-N 3.21Å; E338-K342 VanDerWaalsContact O-CG 3.29Å; E338-K342 WeakPolarHBondContact O-CG 3.39Å; E338-K342 PolarHBondContact O-N 3.06Å; E338-K342 VanDerWaalsContact O-N 3.07Å; E338-G375 VanDerWaalsContact OE2-CA 3.28Å; E338-G375 WeakPolarHBondContact OE2-CA 3.46Å |
| 339 | G | 82 | Confident | 85.9 | Confident | 47 Ų | 47 | 42.1 Ų | 42.1 | 49% | 0.485 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.9 | -44.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | N337 N343 | N337-G339 VanDerWaalsContact C-N 3.3Å; N337-G339 PolarHBondContact O-N 2.99Å; G339-N343 PolarHBondContact O-N 3.14Å; G339-N343 PolarHBondContact O-ND2 3.13Å |
| 340 | E | 84 | Confident | 85.9 | Confident | 93 Ų | 93 | 50 Ų | 50 | 44% | 0.435 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -68.5 | -40.6 | 177.1 | -64.6 | -175.1 | 144.9 | 0 | 0 | 111.3 | H332 N337 K342 N343 V344 | H332-E340 IonicContact CE1-OE2 3.79Å; H332-E340 PolarHBondContact CE1-OE2 3.32Å; H332-E340 IonicContact ND1-OE2 3.69Å; H332-E340 PolarHBondContact ND1-OE2 3.5Å; N337-E340 HydrophobicContact CB-CB 4.31Å; N337-E340 PolarHBondContact ND2-OE2 2.99Å; N337-E340 PolarHBondContact O-N 3.19Å; E340-K342 VanDerWaalsContact C-N 3.34Å; E340-K342 PolarHBondContact O-N 3.38Å; E340-N343 PolarHBondContact O-N 2.63Å; E340-V344 WeakPolarHBondContact O-CG2 3.28Å; E340-V344 PolarHBondContact O-N 3.36Å |
| 341 | A | 86.9 | Confident | 85.9 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -55.6 | -48.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | G329 H332 L333 N337 N343 V344 L345 | G329-A341 WeakPolarHBondContact O-CB 3.13Å; H332-A341 HydrophobicContact CB-CB 3.66Å; L333-A341 HydrophobicContact CD2-CB 3.5Å; L333-A341 VanDerWaalsContact CD2-CB 3.5Å; L333-A341 HydrophobicContact CG-CB 3.68Å; N337-A341 WeakPolarHBondContact O-CB 3.25Å; N337-A341 PolarHBondContact O-N 3.47Å; A341-N343 PolarHBondContact O-N 3.39Å; A341-V344 PolarHBondContact O-N 3.19Å; A341-L345 WeakPolarHBondContact O-CB 3.26Å; A341-L345 WeakPolarHBondContact O-CD1 3.38Å; A341-L345 WeakPolarHBondContact O-CG 3.44Å; A341-L345 PolarHBondContact O-N 3.43Å |
| 342 | K | 86.8 | Confident | 85.9 | Confident | 34 Ų | 34 | 48.6 Ų | 48.6 | 15% | 0.148 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.3 | -46.6 | 178 | -72.1 | 171.8 | -173.9 | 179 | 0 | 111.4 | E338 E340 V344 L345 E346 A371 Y372 D378 | E338-K342 VanDerWaalsContact O-CG 3.29Å; E338-K342 WeakPolarHBondContact O-CG 3.39Å; E338-K342 PolarHBondContact O-N 3.06Å; E338-K342 VanDerWaalsContact O-N 3.07Å; E340-K342 VanDerWaalsContact C-N 3.34Å; E340-K342 PolarHBondContact O-N 3.38Å; K342-V344 PolarHBondContact O-N 3.08Å; K342-L345 PolarHBondContact O-N 2.95Å; K342-E346 WeakPolarHBondContact O-CB 2.95Å; K342-E346 VanDerWaalsContact O-CG 3.3Å; K342-E346 WeakPolarHBondContact O-CG 3.46Å; K342-E346 PolarHBondContact O-N 3.34Å; K342-A371 HydrophobicContact CG-CB 4.34Å; K342-Y372 HydrophobicContact CD-CD1 4.44Å; K342-Y372 HydrophobicContact CD-CE1 4.15Å; K342-D378 IonicContact NZ-OD2 3Å |
| 343 | N | 88.6 | Confident | 85.7 | Confident | 104 Ų | 104 | 50.7 Ų | 50.7 | 56% | 0.556 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -61.4 | -45.1 | 179.4 | -70.2 | -19.2 | 0 | 0 | 0 | 112.7 | G339 E340 A341 E346 E347 | G339-N343 PolarHBondContact O-N 3.14Å; G339-N343 PolarHBondContact O-ND2 3.13Å; E340-N343 PolarHBondContact O-N 2.63Å; A341-N343 PolarHBondContact O-N 3.39Å; N343-E346 PolarHBondContact O-N 3.1Å; N343-E347 PolarHBondContact O-N 2.78Å |
| 344 | V | 90.2 | Very high | 85.8 | Confident | 23 Ų | 23 | 56.8 Ų | 56.8 | 14% | 0.139 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.6 | -40.6 | 178.9 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | A325 L328 E340 A341 K342 E347 A348 | A325-V344 WeakPolarHBondContact O-CG1 3.49Å; L328-V344 HydrophobicContact CB-CG1 4.08Å; L328-V344 HydrophobicContact CD2-CG1 3.98Å; L328-V344 HydrophobicContact CD2-CG2 4.35Å; L328-V344 HydrophobicContact CG-CG1 4.04Å; E340-V344 WeakPolarHBondContact O-CG2 3.28Å; E340-V344 PolarHBondContact O-N 3.36Å; A341-V344 PolarHBondContact O-N 3.19Å; K342-V344 PolarHBondContact O-N 3.08Å; V344-E347 WeakPolarHBondContact O-CB 3.34Å; V344-E347 PolarHBondContact O-N 3.14Å; V344-A348 PolarHBondContact O-N 3.12Å |
| 345 | L | 90.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -71.6 | -35.4 | 179.2 | -69.6 | 167.5 | 0 | 0 | 0 | 112.3 | A341 K342 E347 A348 V349 A367 L368 A371 | A341-L345 WeakPolarHBondContact O-CB 3.26Å; A341-L345 WeakPolarHBondContact O-CD1 3.38Å; A341-L345 WeakPolarHBondContact O-CG 3.44Å; A341-L345 PolarHBondContact O-N 3.43Å; K342-L345 PolarHBondContact O-N 2.95Å; L345-E347 VanDerWaalsContact C-N 3.29Å; L345-E347 PolarHBondContact O-N 3.4Å; L345-A348 WeakPolarHBondContact O-CB 3.35Å; L345-A348 PolarHBondContact O-N 3.36Å; L345-A348 VanDerWaalsContact O-N 3.16Å; L345-V349 WeakPolarHBondContact O-CG2 3.06Å; L345-V349 PolarHBondContact O-N 3.36Å; L345-A367 HydrophobicContact CD2-CB 3.66Å; L345-L368 HydrophobicContact CB-CB 4.14Å; L345-L368 HydrophobicContact CB-CD1 3.69Å; L345-L368 HydrophobicContact CB-CG 4.5Å; L345-A371 HydrophobicContact CD1-CB 3.61Å |
| 346 | E | 90 | Very high | 85.6 | Confident | 80 Ų | 80 | 55.4 Ų | 55.4 | 37% | 0.374 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64 | -35.2 | 170.6 | -75.2 | 178.6 | 179.7 | 0 | 0 | 111.8 | K342 N343 R350 L368 Y372 | K342-E346 WeakPolarHBondContact O-CB 2.95Å; K342-E346 VanDerWaalsContact O-CG 3.3Å; K342-E346 WeakPolarHBondContact O-CG 3.46Å; K342-E346 PolarHBondContact O-N 3.34Å; N343-E346 PolarHBondContact O-N 3.1Å; E346-R350 WeakPolarHBondContact O-CG 3.27Å; E346-R350 PolarHBondContact O-N 3.46Å; E346-L368 HydrophobicContact CG-CD1 3.91Å; E346-L368 HydrophobicContact CG-CD2 4.13Å; E346-Y372 PolarHBondContact OE1-OH 3.13Å; E346-Y372 VanDerWaalsContact OE1-OH 3.04Å |
| 347 | E | 89.8 | Confident | 85.8 | Confident | 61 Ų | 61 | 55.3 Ų | 55.3 | 29% | 0.285 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.7 | -43.9 | 168.4 | -167.4 | -176.8 | 162.2 | 0 | 0 | 111.9 | K312 N343 V344 L345 V349 R350 I351 | K312-E347 IonicContact NZ-OE1 2.67Å; K312-E347 PolarHBondContact NZ-OE1 3.43Å; N343-E347 PolarHBondContact O-N 2.78Å; V344-E347 WeakPolarHBondContact O-CB 3.34Å; V344-E347 PolarHBondContact O-N 3.14Å; L345-E347 VanDerWaalsContact C-N 3.29Å; L345-E347 PolarHBondContact O-N 3.4Å; E347-V349 VanDerWaalsContact C-N 3.32Å; E347-V349 PolarHBondContact O-N 3.5Å; E347-R350 WeakPolarHBondContact O-CB 3.25Å; E347-R350 PolarHBondContact O-N 3.25Å; E347-I351 HydrophobicContact CG-CD1 4.1Å; E347-I351 HydrophobicContact CG-CG1 4.47Å; E347-I351 WeakPolarHBondContact O-CG1 3.43Å; E347-I351 PolarHBondContact O-N 3.22Å |
| 348 | A | 90.2 | Very high | 85.9 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.5 | -42.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A325 V326 V344 L345 R350 I351 A352 A364 | A325-A348 HydrophobicContact CB-CB 3.72Å; V326-A348 HydrophobicContact CG2-CB 4.03Å; V344-A348 PolarHBondContact O-N 3.12Å; L345-A348 WeakPolarHBondContact O-CB 3.35Å; L345-A348 PolarHBondContact O-N 3.36Å; L345-A348 VanDerWaalsContact O-N 3.16Å; A348-R350 VanDerWaalsContact C-N 3.34Å; A348-R350 PolarHBondContact O-N 2.98Å; A348-I351 PolarHBondContact O-N 2.93Å; A348-A352 VanDerWaalsContact O-CB 3.32Å; A348-A352 WeakPolarHBondContact O-CB 3.44Å; A348-A352 PolarHBondContact O-N 3.19Å; A348-A364 HydrophobicContact CB-CB 4.35Å |
| 349 | V | 89.7 | Confident | 86.1 | Confident | 30 Ų | 30 | 55.4 Ų | 55.4 | 18% | 0.182 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.3 | -39.9 | 174.8 | 173 | 0 | 0 | 0 | 0 | 111.3 | L345 E347 A352 G353 A364 L365 L368 | L345-V349 WeakPolarHBondContact O-CG2 3.06Å; L345-V349 PolarHBondContact O-N 3.36Å; E347-V349 VanDerWaalsContact C-N 3.32Å; E347-V349 PolarHBondContact O-N 3.5Å; V349-A352 PolarHBondContact O-N 2.99Å; V349-G353 PolarHBondContact O-N 3.3Å; V349-A364 HydrophobicContact CB-CB 4.47Å; V349-A364 HydrophobicContact CG2-CB 3.74Å; V349-L365 HydrophobicContact CG1-CD2 4.26Å; V349-L365 HydrophobicContact CG2-CD2 4.37Å; V349-L368 HydrophobicContact CG2-CB 4.48Å; V349-L368 HydrophobicContact CG2-CD2 4.1Å |
| 350 | R | 89.4 | Confident | 86.2 | Confident | 164 Ų | 164 | 53.5 Ų | 53.5 | 62% | 0.619 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -66 | -39.4 | 175.2 | -73.7 | -175.9 | -68.8 | 154 | -0.4 | 112.5 | E346 E347 A348 | E346-R350 WeakPolarHBondContact O-CG 3.27Å; E346-R350 PolarHBondContact O-N 3.46Å; E347-R350 WeakPolarHBondContact O-CB 3.25Å; E347-R350 PolarHBondContact O-N 3.25Å; A348-R350 VanDerWaalsContact C-N 3.34Å; A348-R350 PolarHBondContact O-N 2.98Å |
| 351 | I | 88.3 | Confident | 86.3 | Confident | 19 Ų | 19 | 51.6 Ų | 51.6 | 10% | 0.097 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67 | -44.2 | 175.9 | -62.7 | 167.4 | 0 | 0 | 0 | 109.9 | K318 Q321 T322 E347 A348 G353 K354 S355 | K318-I351 HydrophobicContact CB-CG2 4.32Å; Q321-I351 HydrophobicContact CB-CG2 4.11Å; T322-I351 WeakPolarHBondContact OG1-CG2 3.23Å; E347-I351 HydrophobicContact CG-CD1 4.1Å; E347-I351 HydrophobicContact CG-CG1 4.47Å; E347-I351 WeakPolarHBondContact O-CG1 3.43Å; E347-I351 PolarHBondContact O-N 3.22Å; A348-I351 PolarHBondContact O-N 2.93Å; I351-G353 PolarHBondContact O-N 2.81Å; I351-K354 WeakPolarHBondContact O-CB 3.02Å; I351-K354 PolarHBondContact O-N 3.44Å; I351-K354 VanDerWaalsContact O-N 3.08Å; I351-S355 PolarHBondContact O-N 3.47Å |
| 352 | A | 87 | Confident | 86.3 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.008 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.1 | -44.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | T322 A348 V349 K354 S355 E361 A364 | T322-A352 HydrophobicContact CG2-CB 3.77Å; T322-A352 WeakPolarHBondContact OG1-CA 3.45Å; T322-A352 PolarHBondContact OG1-N 2.89Å; A348-A352 VanDerWaalsContact O-CB 3.32Å; A348-A352 WeakPolarHBondContact O-CB 3.44Å; A348-A352 PolarHBondContact O-N 3.19Å; V349-A352 PolarHBondContact O-N 2.99Å; A352-K354 PolarHBondContact O-N 3.41Å; A352-K354 VanDerWaalsContact O-N 3.16Å; A352-S355 WeakPolarHBondContact O-CB 3.4Å; A352-S355 PolarHBondContact O-N 2.99Å; A352-S355 PolarHBondContact O-OG 3.4Å; A352-E361 HydrophobicContact CB-CB 4.41Å; A352-A364 HydrophobicContact CB-CB 4.22Å |
| 353 | G | 84.3 | Confident | 86.3 | Confident | 52 Ų | 52 | 54.9 Ų | 54.9 | 54% | 0.536 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.3 | -25.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | V349 I351 | V349-G353 PolarHBondContact O-N 3.3Å; I351-G353 PolarHBondContact O-N 2.81Å |
| 354 | K | 84.5 | Confident | 86.3 | Confident | 153 Ų | 153 | 50 Ų | 50 | 67% | 0.665 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -10.6 | 174.3 | -67.7 | 179.1 | -178.6 | 179.5 | 0 | 113.9 | K318 I351 A352 | K318-K354 HydrophobicContact CD-CB 3.95Å; K318-K354 WeakPolarHBondContact CD-O 3.39Å; K318-K354 PolarHBondContact NZ-O 2.87Å; K318-K354 VanDerWaalsContact NZ-O 3.1Å; I351-K354 WeakPolarHBondContact O-CB 3.02Å; I351-K354 PolarHBondContact O-N 3.44Å; I351-K354 VanDerWaalsContact O-N 3.08Å; A352-K354 PolarHBondContact O-N 3.41Å; A352-K354 VanDerWaalsContact O-N 3.16Å |
| 355 | S | 80.9 | Confident | 86.3 | Confident | 33 Ų | 33 | 49 Ų | 49 | 23% | 0.231 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -29.2 | -179.5 | 76.6 | 0 | 0 | 0 | 0 | 112.5 | I351 A352 D357 | I351-S355 PolarHBondContact O-N 3.47Å; A352-S355 WeakPolarHBondContact O-CB 3.4Å; A352-S355 PolarHBondContact O-N 2.99Å; A352-S355 PolarHBondContact O-OG 3.4Å; S355-D357 PolarHBondContact O-N 3.43Å; S355-D357 PolarHBondContact OG-N 3.46Å |
| 356 | G | 76.3 | Confident | 86.2 | Confident | 71 Ų | 71 | 49.9 Ų | 49.9 | 73% | 0.732 | 27% | 0.273 | S | S | * | . | trans | 74.7 | -0.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | P358 | G356-P358 WeakPolarHBondContact O-CD 3.5Š| ||
| 357 | D | 82.2 | Confident | 86.1 | Confident | 53 Ų | 53 | 46.2 Ų | 46.2 | 28% | 0.283 | 26% | 0.257 | S | S | . | . | trans | -86.7 | 115 | 177.1 | -178.7 | 7.8 | 0 | 0 | 0 | 110.5 | V319 S355 K359 A360 E361 | V319-D357 HydrophobicContact CG2-CB 4.25Å; S355-D357 PolarHBondContact O-N 3.43Å; S355-D357 PolarHBondContact OG-N 3.46Å; D357-K359 PolarHBondContact O-N 3.28Å; D357-K359 PolarHBondContact OD1-N 3.33Å; D357-K359 VanDerWaalsContact OD1-N 3.08Å; D357-A360 HydrophobicContact CB-CB 4.12Å; D357-A360 PolarHBondContact O-N 3.45Å; D357-E361 PolarHBondContact O-N 3.06Å | ||
| 358 | P | 82.8 | Confident | 86.1 | Confident | 51 Ų | 51 | 43.8 Ų | 43.8 | 33% | 0.331 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.4 | -25.4 | -178.6 | 27.9 | -36.4 | 0 | 0 | 0 | 113 | G356 T362 V396 | G356-P358 WeakPolarHBondContact O-CD 3.5Å; P358-T362 VanDerWaalsContact O-CG2 3.25Å; P358-T362 WeakPolarHBondContact O-CG2 3.31Å; P358-T362 PolarHBondContact O-N 3.41Å; P358-T362 PolarHBondContact O-OG1 3.42Å; P358-V396 HydrophobicContact CB-CG2 3.61Å; P358-V396 HydrophobicContact CG-CG2 3.6Å |
| 359 | K | 82.7 | Confident | 86 | Confident | 95 Ų | 95 | 43.8 Ų | 43.8 | 41% | 0.413 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -72.9 | -45.5 | 178.3 | -70 | -167.4 | 172.4 | -152.8 | 0 | 111.8 | D357 E361 T362 D363 D398 | D357-K359 PolarHBondContact O-N 3.28Å; D357-K359 PolarHBondContact OD1-N 3.33Å; D357-K359 VanDerWaalsContact OD1-N 3.08Å; K359-E361 VanDerWaalsContact C-N 3.27Å; K359-E361 PolarHBondContact O-N 2.91Å; K359-T362 WeakPolarHBondContact CA-OG1 3.26Å; K359-T362 PolarHBondContact O-N 2.91Å; K359-T362 VanDerWaalsContact O-N 3.16Å; K359-T362 PolarHBondContact O-OG1 3.15Å; K359-D363 VanDerWaalsContact O-CG 3.29Å; K359-D363 PolarHBondContact O-N 2.92Å; K359-D398 WeakPolarHBondContact CE-OD2 3.4Å; K359-D398 IonicContact NZ-OD2 2.95Å; K359-D398 PolarHBondContact NZ-OD2 3.36Å |
| 360 | A | 84.8 | Confident | 85.8 | Confident | 7 Ų | 7 | 45.7 Ų | 45.7 | 6% | 0.058 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.4 | -36.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V319 T322 D357 A364 | V319-A360 HydrophobicContact CG1-CB 4.5Å; T322-A360 HydrophobicContact CG2-CB 4.28Å; D357-A360 HydrophobicContact CB-CB 4.12Å; D357-A360 PolarHBondContact O-N 3.45Å; A360-A364 PolarHBondContact O-N 3.41Å |
| 361 | E | 86.5 | Confident | 85.6 | Confident | 52 Ų | 52 | 37.9 Ų | 37.9 | 24% | 0.243 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.1 | -42.4 | 173.8 | -169.4 | -177 | 173.2 | 0 | 0 | 111.7 | A352 D357 K359 L365 K388 | A352-E361 HydrophobicContact CB-CB 4.41Å; D357-E361 PolarHBondContact O-N 3.06Å; K359-E361 VanDerWaalsContact C-N 3.27Å; K359-E361 PolarHBondContact O-N 2.91Å; E361-L365 HydrophobicContact CG-CD1 4.1Å; E361-L365 HydrophobicContact CG-CG 4.5Å; E361-L365 WeakPolarHBondContact O-CB 3.49Å; E361-L365 VanDerWaalsContact O-CG 3.27Å; E361-L365 WeakPolarHBondContact O-CG 3.2Å; E361-L365 PolarHBondContact O-N 2.85Å; E361-K388 IonicContact OE1-NZ 2.66Å |
| 362 | T | 86.7 | Confident | 85.5 | Confident | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.018 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.4 | -43.3 | 178.7 | 49.5 | 0 | 0 | 0 | 0 | 112.5 | P358 K359 A364 L365 V366 T392 L393 | P358-T362 VanDerWaalsContact O-CG2 3.25Å; P358-T362 WeakPolarHBondContact O-CG2 3.31Å; P358-T362 PolarHBondContact O-N 3.41Å; P358-T362 PolarHBondContact O-OG1 3.42Å; K359-T362 WeakPolarHBondContact CA-OG1 3.26Å; K359-T362 PolarHBondContact O-N 2.91Å; K359-T362 VanDerWaalsContact O-N 3.16Å; K359-T362 PolarHBondContact O-OG1 3.15Å; T362-A364 VanDerWaalsContact C-N 3.32Å; T362-A364 PolarHBondContact O-N 3.4Å; T362-L365 PolarHBondContact O-N 3.33Å; T362-V366 WeakPolarHBondContact O-CB 3.3Å; T362-V366 VanDerWaalsContact O-CG2 3.28Å; T362-V366 WeakPolarHBondContact O-CG2 3.43Å; T362-V366 PolarHBondContact O-N 3.02Å; T362-T392 WeakPolarHBondContact CG2-OG1 3.3Å; T362-L393 HydrophobicContact CG2-CD1 4.42Å; T362-L393 HydrophobicContact CG2-CD2 3.68Å; T362-L393 HydrophobicContact CG2-CG 3.61Å |
| 363 | D | 85.9 | Confident | 85.1 | Confident | 101 Ų | 101 | 38.2 Ų | 38.2 | 54% | 0.54 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.6 | -41.8 | -179.2 | -66.9 | -12.4 | 0 | 0 | 0 | 111 | K359 V366 A367 | K359-D363 VanDerWaalsContact O-CG 3.29Å; K359-D363 PolarHBondContact O-N 2.92Å; D363-V366 PolarHBondContact O-N 3.23Å; D363-A367 WeakPolarHBondContact O-CB 3.42Å; D363-A367 PolarHBondContact O-N 3.22Å |
| 364 | A | 89.2 | Confident | 84.4 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.1 | -39.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | T322 V326 A348 V349 A352 A360 T362 L368 | T322-A364 HydrophobicContact CG2-CB 4.21Å; V326-A364 HydrophobicContact CG2-CB 4Å; A348-A364 HydrophobicContact CB-CB 4.35Å; V349-A364 HydrophobicContact CB-CB 4.47Å; V349-A364 HydrophobicContact CG2-CB 3.74Å; A352-A364 HydrophobicContact CB-CB 4.22Å; A360-A364 PolarHBondContact O-N 3.41Å; T362-A364 VanDerWaalsContact C-N 3.32Å; T362-A364 PolarHBondContact O-N 3.4Å; A364-L368 WeakPolarHBondContact O-CB 3.43Å; A364-L368 PolarHBondContact O-N 3.12Å |
| 365 | L | 91 | Very high | 83.4 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.9 | -40.3 | 176.1 | -74.9 | 171.6 | 0 | 0 | 0 | 112.4 | V349 E361 T362 G369 L385 K388 A389 | V349-L365 HydrophobicContact CG1-CD2 4.26Å; V349-L365 HydrophobicContact CG2-CD2 4.37Å; E361-L365 HydrophobicContact CG-CD1 4.1Å; E361-L365 HydrophobicContact CG-CG 4.5Å; E361-L365 WeakPolarHBondContact O-CB 3.49Å; E361-L365 VanDerWaalsContact O-CG 3.27Å; E361-L365 WeakPolarHBondContact O-CG 3.2Å; E361-L365 PolarHBondContact O-N 2.85Å; T362-L365 PolarHBondContact O-N 3.33Å; L365-G369 PolarHBondContact O-N 3.04Å; L365-L385 HydrophobicContact CD2-CD2 3.92Å; L365-K388 HydrophobicContact CD1-CB 4.48Å; L365-K388 HydrophobicContact CD1-CD 4.02Å; L365-K388 HydrophobicContact CD1-CG 4.08Å; L365-K388 HydrophobicContact CD2-CD 4.12Å; L365-A389 HydrophobicContact CB-CB 4.07Å; L365-A389 HydrophobicContact CD1-CB 4.42Å |
| 366 | V | 88.7 | Confident | 82.3 | Confident | 19 Ų | 19 | 38 Ų | 38 | 12% | 0.115 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.3 | -48.6 | 178.3 | 171.1 | 0 | 0 | 0 | 0 | 110.3 | T362 D363 L368 G369 E370 F386 A389 V405 | T362-V366 WeakPolarHBondContact O-CB 3.3Å; T362-V366 VanDerWaalsContact O-CG2 3.28Å; T362-V366 WeakPolarHBondContact O-CG2 3.43Å; T362-V366 PolarHBondContact O-N 3.02Å; D363-V366 PolarHBondContact O-N 3.23Å; V366-L368 VanDerWaalsContact C-N 3.33Å; V366-L368 PolarHBondContact O-N 3.31Å; V366-G369 CarbonylContact O-C 3.59Å; V366-G369 WeakPolarHBondContact O-CA 3.42Å; V366-G369 PolarHBondContact O-N 3.48Å; V366-E370 WeakPolarHBondContact O-CG 3.07Å; V366-E370 PolarHBondContact O-N 3.4Å; V366-F386 HydrophobicContact CG1-CE1 4.25Å; V366-F386 WeakPolarHBondContact O-CE1 3.27Å; V366-A389 HydrophobicContact CG2-CB 3.98Å; V366-V405 HydrophobicContact CG2-CG2 3.67Å |
| 367 | A | 87.7 | Confident | 81.4 | Confident | 3 Ų | 3 | 38.6 Ų | 38.6 | 3% | 0.025 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.6 | -41.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V326 L345 D363 G369 E370 A371 | V326-A367 HydrophobicContact CG1-CB 3.71Å; L345-A367 HydrophobicContact CD2-CB 3.66Å; D363-A367 WeakPolarHBondContact O-CB 3.42Å; D363-A367 PolarHBondContact O-N 3.22Å; A367-G369 VanDerWaalsContact C-N 3.35Å; A367-E370 PolarHBondContact O-N 3Å; A367-A371 PolarHBondContact O-N 2.67Å |
| 368 | L | 90 | Very high | 80.9 | Confident | 10 Ų | 10 | 38.1 Ų | 38.1 | 5% | 0.052 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.4 | -40.9 | 173.2 | -175 | 64 | 0 | 0 | 0 | 111.7 | L345 E346 V349 A364 V366 E370 A371 Y372 L385 | L345-L368 HydrophobicContact CB-CB 4.14Å; L345-L368 HydrophobicContact CB-CD1 3.69Å; L345-L368 HydrophobicContact CB-CG 4.5Å; E346-L368 HydrophobicContact CG-CD1 3.91Å; E346-L368 HydrophobicContact CG-CD2 4.13Å; V349-L368 HydrophobicContact CG2-CB 4.48Å; V349-L368 HydrophobicContact CG2-CD2 4.1Å; A364-L368 WeakPolarHBondContact O-CB 3.43Å; A364-L368 PolarHBondContact O-N 3.12Å; V366-L368 VanDerWaalsContact C-N 3.33Å; V366-L368 PolarHBondContact O-N 3.31Å; L368-E370 VanDerWaalsContact C-N 3.35Å; L368-E370 PolarHBondContact O-N 3.49Å; L368-A371 WeakPolarHBondContact O-CB 3.36Å; L368-A371 PolarHBondContact O-N 2.92Å; L368-Y372 HydrophobicContact CD1-CD2 4.08Å; L368-Y372 HydrophobicContact CD1-CE2 3.69Å; L368-Y372 HydrophobicContact CD2-CE2 4.27Å; L368-Y372 HydrophobicContact CG-CD2 3.96Å; L368-Y372 HydrophobicContact CG-CE2 3.79Å; L368-Y372 VanDerWaalsContact O-CD2 3.23Å; L368-Y372 WeakPolarHBondContact O-CD2 3.43Å; L368-Y372 PolarHBondContact O-N 3.33Å; L368-L385 HydrophobicContact CB-CD1 4.24Å; L368-L385 HydrophobicContact CD2-CD1 3.88Å; L368-L385 HydrophobicContact CD2-CD2 4.17Å; L368-L385 HydrophobicContact CG-CD1 3.72Å |
| 369 | G | 88 | Confident | 80.5 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.4 | -42.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L365 V366 A367 Y372 L373 A382 | L365-G369 PolarHBondContact O-N 3.04Å; V366-G369 CarbonylContact O-C 3.59Å; V366-G369 WeakPolarHBondContact O-CA 3.42Å; V366-G369 PolarHBondContact O-N 3.48Å; A367-G369 VanDerWaalsContact C-N 3.35Å; G369-Y372 PolarHBondContact O-N 3.14Å; G369-L373 PolarHBondContact O-N 3.2Å; G369-A382 VanDerWaalsContact O-CB 3.27Å; G369-A382 WeakPolarHBondContact O-CB 3.43Å |
| 370 | E | 85.1 | Confident | 80.4 | Confident | 70 Ų | 70 | 38.8 Ų | 38.8 | 33% | 0.327 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.6 | -39.2 | 176.1 | -71.7 | 174.6 | 176.9 | 0 | 0 | 111.9 | V366 A367 L368 Y372 L373 N374 F386 | V366-E370 WeakPolarHBondContact O-CG 3.07Å; V366-E370 PolarHBondContact O-N 3.4Å; A367-E370 PolarHBondContact O-N 3Å; L368-E370 VanDerWaalsContact C-N 3.35Å; L368-E370 PolarHBondContact O-N 3.49Å; E370-Y372 VanDerWaalsContact C-N 3.33Å; E370-Y372 PolarHBondContact O-N 3.12Å; E370-L373 WeakPolarHBondContact O-CB 3.49Å; E370-L373 PolarHBondContact O-N 2.83Å; E370-L373 VanDerWaalsContact O-N 3.12Å; E370-N374 PolarHBondContact O-N 3.04Å; E370-N374 VanDerWaalsContact O-N 3.09Å; E370-F386 HydrophobicContact CG-CE1 4.27Å; E370-F386 HydrophobicContact CG-CZ 4.07Å |
| 371 | A | 85.5 | Confident | 80.3 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.6 | -43.5 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | L333 K342 L345 A367 L368 L373 N374 G375 | L333-A371 HydrophobicContact CD1-CB 3.79Å; L333-A371 HydrophobicContact CD2-CB 3.77Å; L333-A371 HydrophobicContact CG-CB 4.27Å; K342-A371 HydrophobicContact CG-CB 4.34Å; L345-A371 HydrophobicContact CD1-CB 3.61Å; A367-A371 PolarHBondContact O-N 2.67Å; L368-A371 WeakPolarHBondContact O-CB 3.36Å; L368-A371 PolarHBondContact O-N 2.92Å; A371-L373 VanDerWaalsContact C-N 3.33Å; A371-N374 PolarHBondContact O-N 3.22Å; A371-G375 PolarHBondContact O-N 2.94Å |
| 372 | Y | 84.9 | Confident | 80.2 | Confident | 17 Ų | 17 | 42.3 Ų | 42.3 | 7% | 0.067 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -70.3 | -26.4 | 175.7 | -82 | -68.6 | 0 | 0 | 0 | 113.1 | K342 E346 L368 G369 E370 D378 R381 L385 | K342-Y372 HydrophobicContact CD-CD1 4.44Å; K342-Y372 HydrophobicContact CD-CE1 4.15Å; E346-Y372 PolarHBondContact OE1-OH 3.13Å; E346-Y372 VanDerWaalsContact OE1-OH 3.04Å; L368-Y372 HydrophobicContact CD1-CD2 4.08Å; L368-Y372 HydrophobicContact CD1-CE2 3.69Å; L368-Y372 HydrophobicContact CD2-CE2 4.27Å; L368-Y372 HydrophobicContact CG-CD2 3.96Å; L368-Y372 HydrophobicContact CG-CE2 3.79Å; L368-Y372 VanDerWaalsContact O-CD2 3.23Å; L368-Y372 WeakPolarHBondContact O-CD2 3.43Å; L368-Y372 PolarHBondContact O-N 3.33Å; G369-Y372 PolarHBondContact O-N 3.14Å; E370-Y372 VanDerWaalsContact C-N 3.33Å; E370-Y372 PolarHBondContact O-N 3.12Å; Y372-D378 HydrophobicContact CD1-CB 3.58Å; Y372-D378 HydrophobicContact CE1-CB 4.31Å; Y372-D378 HydrophobicContact CG-CB 4.46Å; Y372-R381 HydrophobicContact CD1-CB 4.18Å; Y372-R381 HydrophobicContact CE1-CB 4.45Å; Y372-R381 HydrophobicContact CG-CB 4.22Å; Y372-R381 PolarHBondContact OH-NH1 3.24Å; Y372-L385 HydrophobicContact CD2-CD1 3.57Å; Y372-L385 HydrophobicContact CE2-CD1 3.98Å |
| 373 | L | 79 | Confident | 80.2 | Confident | 11 Ų | 11 | 45.5 Ų | 45.5 | 6% | 0.058 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -72.4 | -32.7 | 173.8 | -81.1 | 178 | 0 | 0 | 0 | 113.4 | G369 E370 A371 A382 F386 I411 K415 | G369-L373 PolarHBondContact O-N 3.2Å; E370-L373 WeakPolarHBondContact O-CB 3.49Å; E370-L373 PolarHBondContact O-N 2.83Å; E370-L373 VanDerWaalsContact O-N 3.12Å; A371-L373 VanDerWaalsContact C-N 3.33Å; L373-A382 HydrophobicContact CD2-CB 3.84Å; L373-A382 HydrophobicContact CG-CB 3.69Å; L373-F386 HydrophobicContact CD1-CE2 3.46Å; L373-F386 VanDerWaalsContact CD1-CE2 3.46Å; L373-F386 HydrophobicContact CD1-CZ 3.71Å; L373-F386 HydrophobicContact CG-CE2 3.9Å; L373-F386 HydrophobicContact CG-CZ 4.3Å; L373-I411 HydrophobicContact CD1-CB 4.49Å; L373-I411 HydrophobicContact CD1-CG2 4.13Å; L373-K415 HydrophobicContact CD2-CD 4.42Å; L373-K415 PolarHBondContact O-NZ 2.9Å |
| 374 | N | 70.2 | Confident | 80.2 | Confident | 91 Ų | 91 | 47.5 Ų | 47.5 | 49% | 0.487 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -73.7 | -36.5 | -178.3 | -74.3 | -15.8 | 0 | 0 | 0 | 112 | E370 A371 | E370-N374 PolarHBondContact O-N 3.04Å; E370-N374 VanDerWaalsContact O-N 3.09Å; A371-N374 PolarHBondContact O-N 3.22Å |
| 375 | G | 63.5 | Low | 80.2 | Confident | 5 Ų | 5 | 48.9 Ų | 48.9 | 5% | 0.052 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -71.1 | 130.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E338 A371 A377 | E338-G375 VanDerWaalsContact OE2-CA 3.28Å; E338-G375 WeakPolarHBondContact OE2-CA 3.46Å; A371-G375 PolarHBondContact O-N 2.94Å; G375-A377 PolarHBondContact O-N 3.03Å |
| 376 | S | 57.5 | Low | 80.2 | Confident | 136 Ų | 136 | 48.8 Ų | 48.8 | 95% | 0.951 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -7 | -170.4 | 56 | 0 | 0 | 0 | 0 | 116.3 | ||
| 377 | A | 58.2 | Low | 80.2 | Confident | 85 Ų | 85 | 49.6 Ų | 49.6 | 70% | 0.702 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.4 | -15.4 | -169.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | G375 | G375-A377 PolarHBondContact O-N 3.03Š|
| 378 | D | 70.5 | Confident | 80.3 | Confident | 43 Ų | 43 | 54.1 Ų | 54.1 | 23% | 0.23 | 28% | 0.284 | C | S | . | . | trans | -127.1 | 29.9 | -160.3 | -74.9 | -37.3 | 0 | 0 | 0 | 116 | K342 Y372 F380 R381 A382 | K342-D378 IonicContact NZ-OD2 3Å; Y372-D378 HydrophobicContact CD1-CB 3.58Å; Y372-D378 HydrophobicContact CE1-CB 4.31Å; Y372-D378 HydrophobicContact CG-CB 4.46Å; D378-F380 PolarHBondContact O-N 2.66Å; D378-R381 HydrophobicContact CB-CB 4.49Å; D378-R381 PolarHBondContact O-N 3.15Å; D378-A382 PolarHBondContact O-N 3.49Å | ||
| 379 | A | 74.6 | Confident | 80.3 | Confident | 17 Ų | 17 | 53.6 Ų | 53.6 | 14% | 0.14 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57 | -24.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | K383 L416 | A379-K383 PolarHBondContact O-N 3.21Å; A379-L416 HydrophobicContact CB-CD2 3.66Å; A379-L416 HydrophobicContact CB-CG 3.8Å |
| 380 | F | 80.7 | Confident | 80.3 | Confident | 143 Ų | 143 | 54.1 Ų | 54.1 | 63% | 0.627 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -65.9 | -43.2 | 172.9 | -84.4 | -82.4 | 0 | 0 | 0 | 113.3 | D378 K383 E384 L416 | D378-F380 PolarHBondContact O-N 2.66Å; F380-K383 WeakPolarHBondContact O-CB 3.43Å; F380-K383 PolarHBondContact O-N 3.01Å; F380-E384 PolarHBondContact O-N 3.34Å; F380-L416 HydrophobicContact CD2-CD2 3.58Å; F380-L416 HydrophobicContact CE2-CD2 3.51Å; F380-L416 HydrophobicContact CG-CD2 4.16Å; F380-L416 HydrophobicContact CZ-CD2 4.03Å |
| 381 | R | 83 | Confident | 80.5 | Confident | 133 Ų | 133 | 58.5 Ų | 58.5 | 50% | 0.502 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.2 | -40.7 | 178.3 | -71 | -174.3 | -179.3 | -174.1 | 5 | 111.1 | Y372 D378 K383 E384 L385 | Y372-R381 HydrophobicContact CD1-CB 4.18Å; Y372-R381 HydrophobicContact CE1-CB 4.45Å; Y372-R381 HydrophobicContact CG-CB 4.22Å; Y372-R381 PolarHBondContact OH-NH1 3.24Å; D378-R381 HydrophobicContact CB-CB 4.49Å; D378-R381 PolarHBondContact O-N 3.15Å; R381-K383 VanDerWaalsContact C-N 3.31Å; R381-K383 PolarHBondContact O-N 2.64Å; R381-E384 PolarHBondContact O-N 3.38Å; R381-E384 VanDerWaalsContact O-N 3.16Å; R381-L385 WeakPolarHBondContact O-CG 3.21Å; R381-L385 PolarHBondContact O-N 3.17Å; R381-L385 VanDerWaalsContact O-N 3.1Å |
| 382 | A | 85.4 | Confident | 80.5 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -56.7 | -45.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | G369 L373 D378 E384 L385 F386 | G369-A382 VanDerWaalsContact O-CB 3.27Å; G369-A382 WeakPolarHBondContact O-CB 3.43Å; L373-A382 HydrophobicContact CD2-CB 3.84Å; L373-A382 HydrophobicContact CG-CB 3.69Å; D378-A382 PolarHBondContact O-N 3.49Å; A382-E384 VanDerWaalsContact C-N 3.34Å; A382-E384 PolarHBondContact O-N 3.06Å; A382-L385 PolarHBondContact O-N 3.14Å; A382-F386 HydrophobicContact CB-CD2 4.4Å; A382-F386 HydrophobicContact CB-CE2 3.9Å; A382-F386 WeakPolarHBondContact O-CD2 3.27Å; A382-F386 WeakPolarHBondContact O-CG 3.47Å; A382-F386 PolarHBondContact O-N 3.48Å |
| 383 | K | 84.8 | Confident | 80.6 | Confident | 69 Ų | 69 | 58.9 Ų | 58.9 | 30% | 0.3 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -55.1 | -47.1 | 175.1 | 171.7 | -168.7 | 164.5 | -172.6 | 0 | 112 | A379 F380 R381 L385 F386 V387 F413 L416 | A379-K383 PolarHBondContact O-N 3.21Å; F380-K383 WeakPolarHBondContact O-CB 3.43Å; F380-K383 PolarHBondContact O-N 3.01Å; R381-K383 VanDerWaalsContact C-N 3.31Å; R381-K383 PolarHBondContact O-N 2.64Å; K383-L385 VanDerWaalsContact C-N 3.33Å; K383-L385 PolarHBondContact O-N 3.44Å; K383-F386 PolarHBondContact O-N 2.86Å; K383-V387 WeakPolarHBondContact O-CB 3.41Å; K383-V387 VanDerWaalsContact O-CG2 3.27Å; K383-V387 WeakPolarHBondContact O-CG2 3.27Å; K383-V387 PolarHBondContact O-N 3.44Å; K383-F413 HydrophobicContact CD-CE1 4.03Å; K383-F413 HydrophobicContact CD-CZ 3.83Å; K383-F413 HydrophobicContact CG-CE2 4.45Å; K383-F413 HydrophobicContact CG-CZ 4.2Å; K383-L416 HydrophobicContact CD-CD1 4.49Å |
| 384 | E | 86.9 | Confident | 80.9 | Confident | 143 Ų | 143 | 63.3 Ų | 63.3 | 67% | 0.668 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -62.3 | -41.4 | -179.9 | -69.2 | -175.3 | 166.9 | 0 | 0 | 112.1 | F380 R381 A382 V387 K388 | F380-E384 PolarHBondContact O-N 3.34Å; R381-E384 PolarHBondContact O-N 3.38Å; R381-E384 VanDerWaalsContact O-N 3.16Å; A382-E384 VanDerWaalsContact C-N 3.34Å; A382-E384 PolarHBondContact O-N 3.06Å; E384-V387 PolarHBondContact O-N 3.14Å; E384-K388 PolarHBondContact O-N 2.97Å |
| 385 | L | 89.6 | Confident | 81.5 | Confident | 30 Ų | 30 | 67.6 Ų | 67.6 | 16% | 0.157 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.6 | -45.7 | 177.5 | -67.2 | 170.9 | 0 | 0 | 0 | 112 | L365 L368 Y372 R381 A382 K383 V387 K388 A389 | L365-L385 HydrophobicContact CD2-CD2 3.92Å; L368-L385 HydrophobicContact CB-CD1 4.24Å; L368-L385 HydrophobicContact CD2-CD1 3.88Å; L368-L385 HydrophobicContact CD2-CD2 4.17Å; L368-L385 HydrophobicContact CG-CD1 3.72Å; Y372-L385 HydrophobicContact CD2-CD1 3.57Å; Y372-L385 HydrophobicContact CE2-CD1 3.98Å; R381-L385 WeakPolarHBondContact O-CG 3.21Å; R381-L385 PolarHBondContact O-N 3.17Å; R381-L385 VanDerWaalsContact O-N 3.1Å; A382-L385 PolarHBondContact O-N 3.14Å; K383-L385 VanDerWaalsContact C-N 3.33Å; K383-L385 PolarHBondContact O-N 3.44Å; L385-V387 PolarHBondContact O-N 3.31Å; L385-K388 WeakPolarHBondContact O-CB 3.45Å; L385-K388 PolarHBondContact O-N 3.17Å; L385-K388 VanDerWaalsContact O-N 3.17Å; L385-A389 PolarHBondContact O-N 3.2Å |
| 386 | F | 90.7 | Very high | 82.5 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.3 | -37.2 | 177 | -63.3 | -48.2 | 0 | 0 | 0 | 112.6 | V366 E370 L373 A382 K383 K388 A389 L390 V405 L409 | V366-F386 HydrophobicContact CG1-CE1 4.25Å; V366-F386 WeakPolarHBondContact O-CE1 3.27Å; E370-F386 HydrophobicContact CG-CE1 4.27Å; E370-F386 HydrophobicContact CG-CZ 4.07Å; L373-F386 HydrophobicContact CD1-CE2 3.46Å; L373-F386 VanDerWaalsContact CD1-CE2 3.46Å; L373-F386 HydrophobicContact CD1-CZ 3.71Å; L373-F386 HydrophobicContact CG-CE2 3.9Å; L373-F386 HydrophobicContact CG-CZ 4.3Å; A382-F386 HydrophobicContact CB-CD2 4.4Å; A382-F386 HydrophobicContact CB-CE2 3.9Å; A382-F386 WeakPolarHBondContact O-CD2 3.27Å; A382-F386 WeakPolarHBondContact O-CG 3.47Å; A382-F386 PolarHBondContact O-N 3.48Å; K383-F386 PolarHBondContact O-N 2.86Å; F386-K388 VanDerWaalsContact C-N 3.29Å; F386-K388 PolarHBondContact O-N 3.42Å; F386-A389 PolarHBondContact O-N 3.19Å; F386-L390 WeakPolarHBondContact O-CB 2.95Å; F386-L390 PolarHBondContact O-N 2.86Å; F386-V405 HydrophobicContact CB-CG1 4.05Å; F386-V405 WeakPolarHBondContact O-CG1 3.36Å; F386-L409 HydrophobicContact CB-CD2 3.57Å; F386-L409 HydrophobicContact CB-CG 3.77Å; F386-L409 HydrophobicContact CD2-CD2 4.46Å; F386-L409 HydrophobicContact CG-CD2 4.48Å |
| 387 | V | 89.4 | Confident | 83.7 | Confident | 36 Ų | 36 | 66 Ų | 66 | 22% | 0.218 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.6 | -38.5 | 173.2 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | K383 E384 L385 L390 R391 L409 | K383-V387 WeakPolarHBondContact O-CB 3.41Å; K383-V387 VanDerWaalsContact O-CG2 3.27Å; K383-V387 WeakPolarHBondContact O-CG2 3.27Å; K383-V387 PolarHBondContact O-N 3.44Å; E384-V387 PolarHBondContact O-N 3.14Å; L385-V387 PolarHBondContact O-N 3.31Å; V387-L390 PolarHBondContact O-N 3.37Å; V387-R391 WeakPolarHBondContact O-CG 3.37Å; V387-R391 PolarHBondContact O-N 3.33Å; V387-R391 VanDerWaalsContact O-N 3.12Å; V387-L409 HydrophobicContact CG2-CD2 4.04Å |
| 388 | K | 89.4 | Confident | 84.8 | Confident | 97 Ų | 97 | 63.6 Ų | 63.6 | 42% | 0.422 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64 | -46.5 | 174.6 | -170.4 | -176.7 | 173.1 | -166.2 | 0 | 111.3 | E361 L365 E384 L385 F386 L390 R391 T392 | E361-K388 IonicContact OE1-NZ 2.66Å; L365-K388 HydrophobicContact CD1-CB 4.48Å; L365-K388 HydrophobicContact CD1-CD 4.02Å; L365-K388 HydrophobicContact CD1-CG 4.08Å; L365-K388 HydrophobicContact CD2-CD 4.12Å; E384-K388 PolarHBondContact O-N 2.97Å; L385-K388 WeakPolarHBondContact O-CB 3.45Å; L385-K388 PolarHBondContact O-N 3.17Å; L385-K388 VanDerWaalsContact O-N 3.17Å; F386-K388 VanDerWaalsContact C-N 3.29Å; F386-K388 PolarHBondContact O-N 3.42Å; K388-L390 VanDerWaalsContact C-N 3.35Å; K388-L390 PolarHBondContact O-N 3.39Å; K388-R391 PolarHBondContact O-N 3.02Å; K388-T392 PolarHBondContact O-N 2.69Å; K388-T392 VanDerWaalsContact O-N 3.16Å; K388-T392 PolarHBondContact O-OG1 2.96Å |
| 389 | A | 89.2 | Confident | 85.5 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.2 | -39.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L365 V366 L385 F386 R391 T392 L393 V405 | L365-A389 HydrophobicContact CB-CB 4.07Å; L365-A389 HydrophobicContact CD1-CB 4.42Å; V366-A389 HydrophobicContact CG2-CB 3.98Å; L385-A389 PolarHBondContact O-N 3.2Å; F386-A389 PolarHBondContact O-N 3.19Å; A389-R391 VanDerWaalsContact C-N 3.34Å; A389-R391 PolarHBondContact O-N 3.45Å; A389-T392 WeakPolarHBondContact CA-OG1 3.43Å; A389-T392 PolarHBondContact O-N 3.44Å; A389-T392 PolarHBondContact O-OG1 2.9Å; A389-L393 VanDerWaalsContact O-CG 3.31Å; A389-L393 WeakPolarHBondContact O-CG 3.32Å; A389-L393 PolarHBondContact O-N 2.84Å; A389-V405 HydrophobicContact CB-CG1 4.43Å; A389-V405 HydrophobicContact CB-CG2 4.44Å |
| 390 | L | 88.9 | Confident | 86 | Confident | 10 Ų | 10 | 67.8 Ų | 67.8 | 5% | 0.052 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.3 | -40.3 | 176.8 | -171 | 70.5 | 0 | 0 | 0 | 111.5 | F386 V387 K388 L393 Q394 Q402 V405 L409 W425 | F386-L390 WeakPolarHBondContact O-CB 2.95Å; F386-L390 PolarHBondContact O-N 2.86Å; V387-L390 PolarHBondContact O-N 3.37Å; K388-L390 VanDerWaalsContact C-N 3.35Å; K388-L390 PolarHBondContact O-N 3.39Å; L390-L393 PolarHBondContact O-N 3.5Å; L390-Q394 WeakPolarHBondContact O-CB 3.38Å; L390-Q394 VanDerWaalsContact O-CG 3.25Å; L390-Q394 WeakPolarHBondContact O-CG 3.27Å; L390-Q394 PolarHBondContact O-N 2.72Å; L390-Q402 HydrophobicContact CD1-CB 4.08Å; L390-Q402 HydrophobicContact CD1-CG 4.02Å; L390-V405 HydrophobicContact CB-CG1 4.02Å; L390-V405 HydrophobicContact CD1-CB 4.37Å; L390-V405 HydrophobicContact CD1-CG1 4.35Å; L390-L409 HydrophobicContact CD2-CD1 4.16Å; L390-W425 HydrophobicContact CD2-CH2 3.65Å; L390-W425 HydrophobicContact CD2-CZ3 3.53Å |
| 391 | R | 88.1 | Confident | 86.1 | Confident | 162 Ų | 162 | 62.3 Ų | 62.3 | 61% | 0.611 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -65.6 | -36.4 | 177.4 | -73 | 174.9 | -171.9 | 168.8 | 3.8 | 112.6 | V387 K388 A389 K395 | V387-R391 WeakPolarHBondContact O-CG 3.37Å; V387-R391 PolarHBondContact O-N 3.33Å; V387-R391 VanDerWaalsContact O-N 3.12Å; K388-R391 PolarHBondContact O-N 3.02Å; A389-R391 VanDerWaalsContact C-N 3.34Å; A389-R391 PolarHBondContact O-N 3.45Å; R391-K395 WeakPolarHBondContact O-CG 3.36Å; R391-K395 PolarHBondContact O-N 3.14Å |
| 392 | T | 86.3 | Confident | 86.4 | Confident | 22 Ų | 22 | 56.8 Ų | 56.8 | 14% | 0.135 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70.8 | -43.1 | 175.5 | 46.4 | 0 | 0 | 0 | 0 | 110.7 | T362 K388 A389 Q394 K395 V396 | T362-T392 WeakPolarHBondContact CG2-OG1 3.3Å; K388-T392 PolarHBondContact O-N 2.69Å; K388-T392 VanDerWaalsContact O-N 3.16Å; K388-T392 PolarHBondContact O-OG1 2.96Å; A389-T392 WeakPolarHBondContact CA-OG1 3.43Å; A389-T392 PolarHBondContact O-N 3.44Å; A389-T392 PolarHBondContact O-OG1 2.9Å; T392-Q394 VanDerWaalsContact C-N 3.34Å; T392-Q394 PolarHBondContact O-N 2.89Å; T392-K395 WeakPolarHBondContact O-CB 3.46Å; T392-K395 PolarHBondContact O-N 3.33Å; T392-K395 VanDerWaalsContact O-N 3.1Å; T392-V396 WeakPolarHBondContact O-CG2 3.44Å; T392-V396 PolarHBondContact O-N 2.92Å |
| 393 | L | 86 | Confident | 86.5 | Confident | 4 Ų | 4 | 56.9 Ų | 56.9 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.4 | -35.1 | 175.8 | -69 | 172.1 | 0 | 0 | 0 | 113.6 | T362 A389 L390 K395 V396 G397 D398 A401 Q402 V405 | T362-L393 HydrophobicContact CG2-CD1 4.42Å; T362-L393 HydrophobicContact CG2-CD2 3.68Å; T362-L393 HydrophobicContact CG2-CG 3.61Å; A389-L393 VanDerWaalsContact O-CG 3.31Å; A389-L393 WeakPolarHBondContact O-CG 3.32Å; A389-L393 PolarHBondContact O-N 2.84Å; L390-L393 PolarHBondContact O-N 3.5Å; L393-K395 PolarHBondContact O-N 3.05Å; L393-V396 PolarHBondContact O-N 3.27Å; L393-V396 VanDerWaalsContact O-N 3.13Å; L393-G397 PolarHBondContact O-N 3.41Å; L393-D398 HydrophobicContact CD2-CB 4.43Å; L393-A401 HydrophobicContact CD1-CB 3.68Å; L393-A401 HydrophobicContact CD2-CB 3.58Å; L393-A401 HydrophobicContact CG-CB 4.21Å; L393-Q402 HydrophobicContact CB-CG 3.86Å; L393-V405 HydrophobicContact CD1-CB 4.45Å; L393-V405 HydrophobicContact CD1-CG2 3.55Å |
| 394 | Q | 85.5 | Confident | 86.5 | Confident | 103 Ų | 103 | 56.6 Ų | 56.6 | 48% | 0.481 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.6 | -32.4 | 173.1 | -80.1 | 174.8 | -3.9 | 0 | 0 | 112.6 | L390 T392 | L390-Q394 WeakPolarHBondContact O-CB 3.38Å; L390-Q394 VanDerWaalsContact O-CG 3.25Å; L390-Q394 WeakPolarHBondContact O-CG 3.27Å; L390-Q394 PolarHBondContact O-N 2.72Å; T392-Q394 VanDerWaalsContact C-N 3.34Å; T392-Q394 PolarHBondContact O-N 2.89Å |
| 395 | K | 84.2 | Confident | 86.6 | Confident | 181 Ų | 181 | 50 Ų | 50 | 79% | 0.787 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -73.1 | -33.1 | 174.2 | -66.7 | 175.2 | -179.2 | -177.4 | 0 | 112.3 | R391 T392 L393 | R391-K395 WeakPolarHBondContact O-CG 3.36Å; R391-K395 PolarHBondContact O-N 3.14Å; T392-K395 WeakPolarHBondContact O-CB 3.46Å; T392-K395 PolarHBondContact O-N 3.33Å; T392-K395 VanDerWaalsContact O-N 3.1Å; L393-K395 PolarHBondContact O-N 3.05Å |
| 396 | V | 83.2 | Confident | 86.6 | Confident | 58 Ų | 58 | 48.6 Ų | 48.6 | 35% | 0.352 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -78.3 | -26.6 | 178.9 | 179.6 | 0 | 0 | 0 | 0 | 111.8 | P358 T392 L393 D398 | P358-V396 HydrophobicContact CB-CG2 3.61Å; P358-V396 HydrophobicContact CG-CG2 3.6Å; T392-V396 WeakPolarHBondContact O-CG2 3.44Å; T392-V396 PolarHBondContact O-N 2.92Å; L393-V396 PolarHBondContact O-N 3.27Å; L393-V396 VanDerWaalsContact O-N 3.13Å; V396-D398 HydrophobicContact CG1-CB 4.3Å |
| 397 | G | 82.3 | Confident | 86.5 | Confident | 49 Ų | 49 | 50.1 Ų | 50.1 | 51% | 0.505 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 15 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | L393 V399 | L393-G397 PolarHBondContact O-N 3.41Å; G397-V399 PolarHBondContact O-N 2.89Å |
| 398 | D | 82.9 | Confident | 86.4 | Confident | 36 Ų | 36 | 48.8 Ų | 48.8 | 19% | 0.193 | 26% | 0.257 | C | S | . | . | trans | -81.4 | 98 | -179.5 | -163.4 | -38.9 | 0 | 0 | 0 | 110.2 | K359 L393 V396 E400 A401 Q402 | K359-D398 WeakPolarHBondContact CE-OD2 3.4Å; K359-D398 IonicContact NZ-OD2 2.95Å; K359-D398 PolarHBondContact NZ-OD2 3.36Å; L393-D398 HydrophobicContact CD2-CB 4.43Å; V396-D398 HydrophobicContact CG1-CB 4.3Å; D398-E400 PolarHBondContact OD1-N 2.74Å; D398-A401 HydrophobicContact CB-CB 4.09Å; D398-A401 PolarHBondContact OD1-N 2.91Å; D398-A401 VanDerWaalsContact OD1-N 3.11Å; D398-Q402 WeakPolarHBondContact O-CG 3.41Å; D398-Q402 PolarHBondContact O-N 3.4Å; D398-Q402 PolarHBondContact O-NE2 3.32Å; D398-Q402 VanDerWaalsContact O-NE2 3.09Å | ||
| 399 | V | 85.4 | Confident | 86.4 | Confident | 46 Ų | 46 | 44.2 Ų | 44.2 | 28% | 0.279 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -70.4 | -35.2 | -175.2 | -177.6 | 0 | 0 | 0 | 0 | 111.5 | G397 Q402 C403 L432 T436 | G397-V399 PolarHBondContact O-N 2.89Å; V399-Q402 WeakPolarHBondContact O-CB 3.4Å; V399-Q402 PolarHBondContact O-N 3.36Å; V399-C403 PolarHBondContact O-N 3.18Å; V399-C403 PolarHBondContact O-SG 3.23Å; V399-L432 HydrophobicContact CG1-CB 4.27Å; V399-L432 HydrophobicContact CG1-CD2 4.32Å; V399-T436 HydrophobicContact CB-CG2 4.2Å; V399-T436 HydrophobicContact CG1-CG2 3.76Å |
| 400 | E | 84.2 | Confident | 86.5 | Confident | 101 Ų | 101 | 44.5 Ų | 44.5 | 47% | 0.472 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -67 | -45.2 | -179.5 | -62.4 | -166.9 | 140.7 | 0 | 0 | 111.2 | D398 Q402 C403 S404 T436 N438 L441 | D398-E400 PolarHBondContact OD1-N 2.74Å; E400-Q402 VanDerWaalsContact C-N 3.3Å; E400-Q402 PolarHBondContact O-N 3.15Å; E400-C403 WeakPolarHBondContact O-CB 3.39Å; E400-C403 PolarHBondContact O-N 3.01Å; E400-S404 PolarHBondContact O-N 3.49Å; E400-T436 HydrophobicContact CG-CG2 4.29Å; E400-N438 PolarHBondContact OE1-ND2 3.28Å; E400-N438 VanDerWaalsContact OE1-ND2 3.07Å; E400-L441 HydrophobicContact CB-CD1 4.03Å; E400-L441 HydrophobicContact CG-CD1 3.87Å |
| 401 | A | 83.3 | Confident | 86.3 | Confident | 28 Ų | 28 | 47.3 Ų | 47.3 | 23% | 0.231 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.3 | -36.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L393 D398 C403 S404 V405 | L393-A401 HydrophobicContact CD1-CB 3.68Å; L393-A401 HydrophobicContact CD2-CB 3.58Å; L393-A401 HydrophobicContact CG-CB 4.21Å; D398-A401 HydrophobicContact CB-CB 4.09Å; D398-A401 PolarHBondContact OD1-N 2.91Å; D398-A401 VanDerWaalsContact OD1-N 3.11Å; A401-C403 VanDerWaalsContact C-N 3.35Å; A401-C403 PolarHBondContact O-N 3.46Å; A401-S404 WeakPolarHBondContact O-CB 3.32Å; A401-S404 PolarHBondContact O-N 2.82Å; A401-V405 WeakPolarHBondContact O-CG2 3.39Å; A401-V405 PolarHBondContact O-N 3.33Å; A401-V405 VanDerWaalsContact O-N 3.08Å |
| 402 | Q | 88.2 | Confident | 86.3 | Confident | 18 Ų | 18 | 39.6 Ų | 39.6 | 8% | 0.084 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.3 | -41.4 | 174.5 | -73.1 | 168.8 | 55.6 | 0 | 0 | 112.1 | L390 L393 D398 V399 E400 S404 V405 C406 L432 | L390-Q402 HydrophobicContact CD1-CB 4.08Å; L390-Q402 HydrophobicContact CD1-CG 4.02Å; L393-Q402 HydrophobicContact CB-CG 3.86Å; D398-Q402 WeakPolarHBondContact O-CG 3.41Å; D398-Q402 PolarHBondContact O-N 3.4Å; D398-Q402 PolarHBondContact O-NE2 3.32Å; D398-Q402 VanDerWaalsContact O-NE2 3.09Å; V399-Q402 WeakPolarHBondContact O-CB 3.4Å; V399-Q402 PolarHBondContact O-N 3.36Å; E400-Q402 VanDerWaalsContact C-N 3.3Å; E400-Q402 PolarHBondContact O-N 3.15Å; Q402-S404 VanDerWaalsContact C-N 3.32Å; Q402-S404 PolarHBondContact O-N 3.42Å; Q402-V405 PolarHBondContact O-N 3.03Å; Q402-C406 WeakPolarHBondContact O-CB 3.39Å; Q402-C406 PolarHBondContact O-N 3.23Å; Q402-C406 PolarHBondContact O-SG 2.99Å; Q402-C406 VanDerWaalsContact O-SG 3.35Å; Q402-L432 HydrophobicContact CB-CD1 4.01Å |
| 403 | C | 87.8 | Confident | 86.4 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.014 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.2 | -43.8 | 174.6 | -73.3 | 0 | 0 | 0 | 0 | 111.9 | V399 E400 A401 C406 S407 L432 L441 | V399-C403 PolarHBondContact O-N 3.18Å; V399-C403 PolarHBondContact O-SG 3.23Å; E400-C403 WeakPolarHBondContact O-CB 3.39Å; E400-C403 PolarHBondContact O-N 3.01Å; A401-C403 VanDerWaalsContact C-N 3.35Å; A401-C403 PolarHBondContact O-N 3.46Å; C403-C406 PolarHBondContact O-N 3.24Å; C403-S407 PolarHBondContact O-N 2.99Å; C403-S407 VanDerWaalsContact O-N 3.12Å; C403-L432 WeakPolarHBondContact SG-CB 3.13Å; C403-L441 HydrophobicContact CB-CD2 4.46Å |
| 404 | S | 85.3 | Confident | 86.3 | Confident | 63 Ų | 63 | 43.2 Ų | 43.2 | 44% | 0.441 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.5 | -48.9 | 177.8 | -170.3 | 0 | 0 | 0 | 0 | 111.7 | E400 A401 Q402 C406 S407 S408 | E400-S404 PolarHBondContact O-N 3.49Å; A401-S404 WeakPolarHBondContact O-CB 3.32Å; A401-S404 PolarHBondContact O-N 2.82Å; Q402-S404 VanDerWaalsContact C-N 3.32Å; Q402-S404 PolarHBondContact O-N 3.42Å; S404-C406 VanDerWaalsContact C-N 3.34Å; S404-C406 PolarHBondContact O-N 3.49Å; S404-S407 WeakPolarHBondContact O-CB 3.4Å; S404-S407 PolarHBondContact O-N 2.91Å; S404-S408 PolarHBondContact O-N 3.49Å; S404-S408 PolarHBondContact O-OG 2.96Å |
| 405 | V | 88.3 | Confident | 86.1 | Confident | 3 Ų | 3 | 43.1 Ų | 43.1 | 2% | 0.018 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.6 | -35.9 | 178.6 | 179.3 | 0 | 0 | 0 | 0 | 112.3 | V366 F386 A389 L390 L393 A401 Q402 S407 S408 L409 | V366-V405 HydrophobicContact CG2-CG2 3.67Å; F386-V405 HydrophobicContact CB-CG1 4.05Å; F386-V405 WeakPolarHBondContact O-CG1 3.36Å; A389-V405 HydrophobicContact CB-CG1 4.43Å; A389-V405 HydrophobicContact CB-CG2 4.44Å; L390-V405 HydrophobicContact CB-CG1 4.02Å; L390-V405 HydrophobicContact CD1-CB 4.37Å; L390-V405 HydrophobicContact CD1-CG1 4.35Å; L393-V405 HydrophobicContact CD1-CB 4.45Å; L393-V405 HydrophobicContact CD1-CG2 3.55Å; A401-V405 WeakPolarHBondContact O-CG2 3.39Å; A401-V405 PolarHBondContact O-N 3.33Å; A401-V405 VanDerWaalsContact O-N 3.08Å; Q402-V405 PolarHBondContact O-N 3.03Å; V405-S407 VanDerWaalsContact C-N 3.27Å; V405-S407 PolarHBondContact O-N 3.4Å; V405-S408 PolarHBondContact O-N 3.33Å; V405-L409 HydrophobicContact CG1-CD1 4.48Å; V405-L409 PolarHBondContact O-N 3.42Å |
| 406 | C | 90.4 | Very high | 86 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.007 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60 | -38.2 | 172.4 | -74.8 | 0 | 0 | 0 | 0 | 111.7 | Q402 C403 S404 S408 L409 V410 Q429 | Q402-C406 WeakPolarHBondContact O-CB 3.39Å; Q402-C406 PolarHBondContact O-N 3.23Å; Q402-C406 PolarHBondContact O-SG 2.99Å; Q402-C406 VanDerWaalsContact O-SG 3.35Å; C403-C406 PolarHBondContact O-N 3.24Å; S404-C406 VanDerWaalsContact C-N 3.34Å; S404-C406 PolarHBondContact O-N 3.49Å; C406-S408 PolarHBondContact O-N 3.41Å; C406-L409 WeakPolarHBondContact O-CB 3.34Å; C406-L409 PolarHBondContact O-N 3.01Å; C406-V410 WeakPolarHBondContact O-CG2 3.23Å; C406-V410 PolarHBondContact O-N 2.86Å; C406-Q429 HydrophobicContact CB-CB 3.89Å; C406-Q429 HydrophobicContact CB-CG 4.2Å |
| 407 | S | 87.8 | Confident | 85.8 | Confident | 32 Ų | 32 | 36.9 Ų | 36.9 | 22% | 0.224 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.4 | -46.3 | 174.3 | -160.1 | 0 | 0 | 0 | 0 | 111.7 | C403 S404 V405 L409 V410 I411 | C403-S407 PolarHBondContact O-N 2.99Å; C403-S407 VanDerWaalsContact O-N 3.12Å; S404-S407 WeakPolarHBondContact O-CB 3.4Å; S404-S407 PolarHBondContact O-N 2.91Å; V405-S407 VanDerWaalsContact C-N 3.27Å; V405-S407 PolarHBondContact O-N 3.4Å; S407-L409 VanDerWaalsContact C-N 3.31Å; S407-L409 PolarHBondContact O-N 3.46Å; S407-V410 WeakPolarHBondContact O-CB 3.45Å; S407-V410 PolarHBondContact O-N 3.13Å; S407-I411 WeakPolarHBondContact O-CG1 3.34Å; S407-I411 PolarHBondContact O-N 2.68Å; S407-I411 VanDerWaalsContact O-N 3.14Å |
| 408 | S | 88.5 | Confident | 86 | Confident | 9 Ų | 9 | 37.6 Ų | 37.6 | 6% | 0.063 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.6 | -33.3 | 177.9 | -46.3 | 0 | 0 | 0 | 0 | 112.2 | S404 V405 C406 I411 S412 | S404-S408 PolarHBondContact O-N 3.49Å; S404-S408 PolarHBondContact O-OG 2.96Å; V405-S408 PolarHBondContact O-N 3.33Å; C406-S408 PolarHBondContact O-N 3.41Å; S408-I411 PolarHBondContact O-N 2.87Å; S408-S412 WeakPolarHBondContact O-CB 3.49Å; S408-S412 PolarHBondContact O-N 2.64Å |
| 409 | L | 89.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.2 | -43.8 | 171.2 | -76.9 | 168.5 | 0 | 0 | 0 | 112 | F386 V387 L390 V405 C406 S407 I411 S412 F413 W425 | F386-L409 HydrophobicContact CB-CD2 3.57Å; F386-L409 HydrophobicContact CB-CG 3.77Å; F386-L409 HydrophobicContact CD2-CD2 4.46Å; F386-L409 HydrophobicContact CG-CD2 4.48Å; V387-L409 HydrophobicContact CG2-CD2 4.04Å; L390-L409 HydrophobicContact CD2-CD1 4.16Å; V405-L409 HydrophobicContact CG1-CD1 4.48Å; V405-L409 PolarHBondContact O-N 3.42Å; C406-L409 WeakPolarHBondContact O-CB 3.34Å; C406-L409 PolarHBondContact O-N 3.01Å; S407-L409 VanDerWaalsContact C-N 3.31Å; S407-L409 PolarHBondContact O-N 3.46Å; L409-I411 VanDerWaalsContact C-N 3.31Å; L409-I411 PolarHBondContact O-N 3.17Å; L409-S412 WeakPolarHBondContact CA-OG 3.5Å; L409-S412 PolarHBondContact O-N 2.97Å; L409-S412 VanDerWaalsContact O-N 3.16Å; L409-S412 PolarHBondContact O-OG 3.34Å; L409-F413 HydrophobicContact CD2-CE2 4.32Å; L409-F413 VanDerWaalsContact O-CD2 3.27Å; L409-F413 WeakPolarHBondContact O-CD2 3.26Å; L409-F413 PolarHBondContact O-N 3.17Å; L409-W425 HydrophobicContact CB-CD2 4.35Å; L409-W425 HydrophobicContact CB-CG 4.23Å; L409-W425 HydrophobicContact CD1-CD2 4.04Å; L409-W425 HydrophobicContact CD1-CE3 3.91Å; L409-W425 HydrophobicContact CD1-CH2 4.06Å; L409-W425 HydrophobicContact CD1-CZ2 4.19Å; L409-W425 HydrophobicContact CD1-CZ3 3.92Å |
| 410 | V | 89.8 | Confident | 86.3 | Confident | 6 Ų | 6 | 44.3 Ų | 44.3 | 4% | 0.036 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -55.1 | -49.1 | 175.4 | 172.7 | 0 | 0 | 0 | 0 | 110.3 | C406 S407 S412 F413 W414 W425 A426 I452 | C406-V410 WeakPolarHBondContact O-CG2 3.23Å; C406-V410 PolarHBondContact O-N 2.86Å; S407-V410 WeakPolarHBondContact O-CB 3.45Å; S407-V410 PolarHBondContact O-N 3.13Å; V410-S412 VanDerWaalsContact C-N 3.34Å; V410-S412 PolarHBondContact O-N 2.92Å; V410-F413 PolarHBondContact O-N 2.9Å; V410-W414 WeakPolarHBondContact O-CB 3.44Å; V410-W414 PolarHBondContact O-N 2.99Å; V410-W425 HydrophobicContact CG2-CB 3.77Å; V410-A426 HydrophobicContact CG1-CB 4.35Å; V410-A426 HydrophobicContact CG2-CB 3.77Å; V410-A426 VanDerWaalsContact CG2-N 3.3Å; V410-I452 HydrophobicContact CG1-CD1 3.87Å; V410-I452 HydrophobicContact CG1-CG1 3.68Å |
| 411 | I | 86.2 | Confident | 86.4 | Confident | 70 Ų | 70 | 43.8 Ų | 43.8 | 36% | 0.359 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.5 | -42.5 | 178.2 | -62.9 | 167.6 | 0 | 0 | 0 | 111 | L373 S407 S408 L409 F413 W414 K415 | L373-I411 HydrophobicContact CD1-CB 4.49Å; L373-I411 HydrophobicContact CD1-CG2 4.13Å; S407-I411 WeakPolarHBondContact O-CG1 3.34Å; S407-I411 PolarHBondContact O-N 2.68Å; S407-I411 VanDerWaalsContact O-N 3.14Å; S408-I411 PolarHBondContact O-N 2.87Å; L409-I411 VanDerWaalsContact C-N 3.31Å; L409-I411 PolarHBondContact O-N 3.17Å; I411-F413 PolarHBondContact O-N 3.45Å; I411-W414 PolarHBondContact O-N 3.07Å; I411-K415 PolarHBondContact O-N 3.46Å |
| 412 | S | 86.9 | Confident | 86.7 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.6 | -44.8 | 178.5 | 76.4 | 0 | 0 | 0 | 0 | 112.9 | S408 L409 V410 L416 | S408-S412 WeakPolarHBondContact O-CB 3.49Å; S408-S412 PolarHBondContact O-N 2.64Å; L409-S412 WeakPolarHBondContact CA-OG 3.5Å; L409-S412 PolarHBondContact O-N 2.97Å; L409-S412 VanDerWaalsContact O-N 3.16Å; L409-S412 PolarHBondContact O-OG 3.34Å; V410-S412 VanDerWaalsContact C-N 3.34Å; V410-S412 PolarHBondContact O-N 2.92Å; S412-L416 WeakPolarHBondContact O-CB 3.5Å; S412-L416 VanDerWaalsContact O-CG 3.25Å; S412-L416 WeakPolarHBondContact O-CG 3.42Å; S412-L416 PolarHBondContact O-N 3.37Å; S412-L416 VanDerWaalsContact O-N 3.08Å |
| 413 | F | 87.9 | Confident | 86.8 | Confident | 10 Ų | 10 | 43.7 Ų | 43.7 | 4% | 0.044 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -72.3 | -32.7 | 178.8 | -80.4 | -72.4 | 0 | 0 | 0 | 112.4 | K383 L409 V410 I411 L416 G417 N418 H421 A422 W425 | K383-F413 HydrophobicContact CD-CE1 4.03Å; K383-F413 HydrophobicContact CD-CZ 3.83Å; K383-F413 HydrophobicContact CG-CE2 4.45Å; K383-F413 HydrophobicContact CG-CZ 4.2Å; L409-F413 HydrophobicContact CD2-CE2 4.32Å; L409-F413 VanDerWaalsContact O-CD2 3.27Å; L409-F413 WeakPolarHBondContact O-CD2 3.26Å; L409-F413 PolarHBondContact O-N 3.17Å; V410-F413 PolarHBondContact O-N 2.9Å; I411-F413 PolarHBondContact O-N 3.45Å; F413-L416 PolarHBondContact O-N 2.81Å; F413-G417 PolarHBondContact O-N 3.28Å; F413-N418 HydrophobicContact CD1-CB 4.27Å; F413-N418 PolarHBondContact O-N 3.41Å; F413-H421 HydrophobicContact CB-CB 4.28Å; F413-H421 HydrophobicContact CD1-CB 3.44Å; F413-H421 VanDerWaalsContact CD1-CB 3.44Å; F413-H421 HydrophobicContact CD2-CB 4.27Å; F413-H421 HydrophobicContact CE1-CB 3.67Å; F413-H421 AromaticContact CE1-CG 3.98Å; F413-H421 HydrophobicContact CE2-CB 4.5Å; F413-H421 HydrophobicContact CG-CB 3.75Å; F413-H421 HydrophobicContact CZ-CB 4.2Å; F413-A422 HydrophobicContact CB-CB 3.87Å; F413-W425 AromaticContact CD2-CD1 3.44Å; F413-W425 VanDerWaalsContact CD2-CD1 3.44Å; F413-W425 HydrophobicContact CD2-CG 4.45Å; F413-W425 AromaticContact CD2-NE1 3.79Å; F413-W425 AromaticContact CE2-CD1 3.35Å; F413-W425 HydrophobicContact CE2-CG 4.46Å; F413-W425 AromaticContact CE2-NE1 3.16Å; F413-W425 AromaticContact CZ-NE1 3.84Å |
| 414 | W | 85.7 | Confident | 87 | Confident | 91 Ų | 91 | 49 Ų | 49 | 35% | 0.345 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.1 | -48.1 | 172.7 | 171.6 | 62.3 | 0 | 0 | 0 | 111.7 | V410 I411 L416 G417 A422 F451 I452 | V410-W414 WeakPolarHBondContact O-CB 3.44Å; V410-W414 PolarHBondContact O-N 2.99Å; I411-W414 PolarHBondContact O-N 3.07Å; W414-L416 VanDerWaalsContact C-N 3.26Å; W414-L416 PolarHBondContact O-N 3.45Å; W414-G417 PolarHBondContact O-N 3.23Å; W414-A422 HydrophobicContact CB-CB 4.47Å; W414-F451 AromaticContact CD2-CE1 3.74Å; W414-F451 HydrophobicContact CD2-CE1 3.74Å; W414-F451 HydrophobicContact CD2-CZ 4.26Å; W414-F451 AromaticContact CE2-CE1 3.57Å; W414-F451 AromaticContact CE2-CZ 3.69Å; W414-F451 HydrophobicContact CE3-CE1 4.2Å; W414-F451 HydrophobicContact CG-CE1 4.12Å; W414-F451 HydrophobicContact CH2-CE1 4.35Å; W414-F451 AromaticContact CH2-CZ 3.95Å; W414-F451 HydrophobicContact CH2-CZ 3.95Å; W414-F451 AromaticContact CZ2-CE1 3.92Å; W414-F451 HydrophobicContact CZ2-CE1 3.92Å; W414-F451 AromaticContact CZ2-CZ 3.55Å; W414-F451 HydrophobicContact CZ2-CZ 3.55Å; W414-F451 HydrophobicContact CZ3-CE1 4.48Å; W414-F451 HydrophobicContact CZ3-CZ 4.45Å; W414-F451 AromaticContact NE1-CE1 3.82Å; W414-I452 HydrophobicContact CB-CD1 3.9Å; W414-I452 HydrophobicContact CG-CD1 4.16Å |
| 415 | K | 79.5 | Confident | 87.3 | Confident | 102 Ų | 102 | 48.3 Ų | 48.3 | 44% | 0.443 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.1 | -30.7 | 174.6 | -73.4 | -162.9 | 179.5 | -167.7 | 0 | 113.3 | L373 I411 G417 | L373-K415 HydrophobicContact CD2-CD 4.42Å; L373-K415 PolarHBondContact O-NZ 2.9Å; I411-K415 PolarHBondContact O-N 3.46Å; K415-G417 PolarHBondContact O-N 3.04Å |
| 416 | L | 82.1 | Confident | 87.5 | Confident | 52 Ų | 52 | 48.1 Ų | 48.1 | 27% | 0.272 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -2.7 | 173 | -71.4 | 169.8 | 0 | 0 | 0 | 113.8 | A379 F380 K383 S412 F413 W414 N418 | A379-L416 HydrophobicContact CB-CD2 3.66Å; A379-L416 HydrophobicContact CB-CG 3.8Å; F380-L416 HydrophobicContact CD2-CD2 3.58Å; F380-L416 HydrophobicContact CE2-CD2 3.51Å; F380-L416 HydrophobicContact CG-CD2 4.16Å; F380-L416 HydrophobicContact CZ-CD2 4.03Å; K383-L416 HydrophobicContact CD-CD1 4.49Å; S412-L416 WeakPolarHBondContact O-CB 3.5Å; S412-L416 VanDerWaalsContact O-CG 3.25Å; S412-L416 WeakPolarHBondContact O-CG 3.42Å; S412-L416 PolarHBondContact O-N 3.37Å; S412-L416 VanDerWaalsContact O-N 3.08Å; F413-L416 PolarHBondContact O-N 2.81Å; W414-L416 VanDerWaalsContact C-N 3.26Å; W414-L416 PolarHBondContact O-N 3.45Å; L416-N418 PolarHBondContact O-N 3.46Å |
| 417 | G | 80.5 | Confident | 87.6 | Confident | 56 Ų | 56 | 53.8 Ų | 53.8 | 58% | 0.577 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.6 | 5.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | F413 W414 K415 L419 | F413-G417 PolarHBondContact O-N 3.28Å; W414-G417 PolarHBondContact O-N 3.23Å; K415-G417 PolarHBondContact O-N 3.04Å; G417-L419 PolarHBondContact O-N 3.09Å; G417-L419 VanDerWaalsContact O-N 3.16Å |
| 418 | N | 85.6 | Confident | 87.7 | Confident | 63 Ų | 63 | 56.5 Ų | 56.5 | 34% | 0.337 | 27% | 0.267 | S | S | . | . | trans | -91.9 | 74.1 | -178.2 | -167.7 | -20.7 | 0 | 0 | 0 | 111 | F413 L416 K420 H421 A422 | F413-N418 HydrophobicContact CD1-CB 4.27Å; F413-N418 PolarHBondContact O-N 3.41Å; L416-N418 PolarHBondContact O-N 3.46Å; N418-K420 VanDerWaalsContact C-N 3.26Å; N418-K420 PolarHBondContact O-N 3.34Å; N418-H421 VanDerWaalsContact CG-ND1 3.31Å; N418-H421 PolarHBondContact ND2-ND1 3.29Å; N418-H421 VanDerWaalsContact ND2-ND1 3.11Å; N418-H421 PolarHBondContact O-N 3Å; N418-H421 VanDerWaalsContact O-N 3.17Å; N418-H421 PolarHBondContact OD1-N 3.04Å; N418-H421 PolarHBondContact OD1-ND1 2.77Å; N418-A422 PolarHBondContact O-N 3.4Å; N418-A422 VanDerWaalsContact O-N 3.13Å | ||
| 419 | L | 86.4 | Confident | 87.9 | Confident | 52 Ų | 52 | 56.4 Ų | 56.4 | 27% | 0.272 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -57.7 | -35 | -175.2 | -60.4 | 179 | 0 | 0 | 0 | 113.4 | G417 H421 A422 E423 Q455 I456 | G417-L419 PolarHBondContact O-N 3.09Å; G417-L419 VanDerWaalsContact O-N 3.16Å; L419-H421 PolarHBondContact O-N 2.86Å; L419-A422 PolarHBondContact O-N 3Å; L419-E423 WeakPolarHBondContact O-CB 3.5Å; L419-E423 PolarHBondContact O-N 2.93Å; L419-Q455 HydrophobicContact CD2-CB 4.04Å; L419-I456 HydrophobicContact CB-CG1 4.03Å; L419-I456 HydrophobicContact CD1-CG1 4.12Å |
| 420 | K | 87.5 | Confident | 88 | Confident | 172 Ų | 172 | 57.7 Ų | 57.7 | 75% | 0.748 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -62.7 | -41 | 178.9 | -67.4 | -173.8 | 178.7 | -177.4 | 0 | 112.6 | N418 H424 | N418-K420 VanDerWaalsContact C-N 3.26Å; N418-K420 PolarHBondContact O-N 3.34Å; K420-H424 PolarHBondContact O-N 3.22Å; K420-H424 VanDerWaalsContact O-N 3.14Å |
| 421 | H | 87.6 | Confident | 88 | Confident | 90 Ų | 90 | 62 Ų | 62 | 42% | 0.417 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -74.9 | -37.1 | 177.4 | -75.4 | 73.1 | 0 | 0 | 0 | 111.3 | F413 N418 L419 E423 H424 W425 | F413-H421 HydrophobicContact CB-CB 4.28Å; F413-H421 HydrophobicContact CD1-CB 3.44Å; F413-H421 VanDerWaalsContact CD1-CB 3.44Å; F413-H421 HydrophobicContact CD2-CB 4.27Å; F413-H421 HydrophobicContact CE1-CB 3.67Å; F413-H421 AromaticContact CE1-CG 3.98Å; F413-H421 HydrophobicContact CE2-CB 4.5Å; F413-H421 HydrophobicContact CG-CB 3.75Å; F413-H421 HydrophobicContact CZ-CB 4.2Å; N418-H421 VanDerWaalsContact CG-ND1 3.31Å; N418-H421 PolarHBondContact ND2-ND1 3.29Å; N418-H421 VanDerWaalsContact ND2-ND1 3.11Å; N418-H421 PolarHBondContact O-N 3Å; N418-H421 VanDerWaalsContact O-N 3.17Å; N418-H421 PolarHBondContact OD1-N 3.04Å; N418-H421 PolarHBondContact OD1-ND1 2.77Å; L419-H421 PolarHBondContact O-N 2.86Å; H421-E423 VanDerWaalsContact C-N 3.29Å; H421-E423 PolarHBondContact O-N 3.42Å; H421-H424 PolarHBondContact O-N 3.48Å; H421-W425 PolarHBondContact O-N 3.27Å |
| 422 | A | 89.8 | Confident | 88.2 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.9 | -43.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | F413 W414 N418 L419 W425 A426 I452 | F413-A422 HydrophobicContact CB-CB 3.87Å; W414-A422 HydrophobicContact CB-CB 4.47Å; N418-A422 PolarHBondContact O-N 3.4Å; N418-A422 VanDerWaalsContact O-N 3.13Å; L419-A422 PolarHBondContact O-N 3Å; A422-W425 PolarHBondContact O-N 3.45Å; A422-A426 WeakPolarHBondContact O-CB 3.37Å; A422-A426 PolarHBondContact O-N 3.02Å; A422-I452 HydrophobicContact CB-CD1 3.66Å; A422-I452 HydrophobicContact CB-CG1 4.1Å; A422-I452 HydrophobicContact CB-CG2 4.22Å |
| 423 | E | 90.7 | Very high | 88.3 | Confident | 43 Ų | 43 | 59 Ų | 59 | 20% | 0.201 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.7 | -46.9 | 175.7 | -168.4 | -161.9 | 154.4 | 0 | 0 | 111.6 | L419 H421 W425 A426 R427 L449 I452 I456 | L419-E423 WeakPolarHBondContact O-CB 3.5Å; L419-E423 PolarHBondContact O-N 2.93Å; H421-E423 VanDerWaalsContact C-N 3.29Å; H421-E423 PolarHBondContact O-N 3.42Å; E423-W425 VanDerWaalsContact C-N 3.33Å; E423-W425 PolarHBondContact O-N 3.39Å; E423-A426 PolarHBondContact O-N 3.25Å; E423-R427 WeakPolarHBondContact O-CG 3.48Å; E423-R427 PolarHBondContact O-N 2.9Å; E423-R427 IonicContact OE1-CZ 2.61Å; E423-R427 VanDerWaalsContact OE1-CZ 3.24Å; E423-R427 IonicContact OE1-NE 2.91Å; E423-R427 PolarHBondContact OE1-NE 3.15Å; E423-R427 IonicContact OE1-NH2 3.55Å; E423-R427 PolarHBondContact OE1-NH2 3.14Å; E423-L449 HydrophobicContact CG-CD1 4.26Å; E423-I452 HydrophobicContact CB-CG2 3.97Å; E423-I456 HydrophobicContact CB-CD1 4.29Å; E423-I456 HydrophobicContact CG-CD1 4.41Å |
| 424 | H | 91.5 | Very high | 88.3 | Confident | 114 Ų | 114 | 63.4 Ų | 63.4 | 53% | 0.528 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -55.9 | -46.6 | 176.9 | 172.5 | -83.5 | 0 | 0 | 0 | 112 | K420 H421 R427 R428 | K420-H424 PolarHBondContact O-N 3.22Å; K420-H424 VanDerWaalsContact O-N 3.14Å; H421-H424 PolarHBondContact O-N 3.48Å; H424-R427 PolarHBondContact O-N 3.03Å; H424-R428 WeakPolarHBondContact O-CB 3.42Å; H424-R428 PolarHBondContact O-N 3.02Å |
| 425 | W | 91.8 | Very high | 88.3 | Confident | 48 Ų | 48 | 66 Ų | 66 | 18% | 0.182 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -70.6 | -32.8 | 178.8 | -73.8 | 110.4 | 0 | 0 | 0 | 113.2 | L390 L409 V410 F413 H421 A422 E423 R428 Q429 | L390-W425 HydrophobicContact CD2-CH2 3.65Å; L390-W425 HydrophobicContact CD2-CZ3 3.53Å; L409-W425 HydrophobicContact CB-CD2 4.35Å; L409-W425 HydrophobicContact CB-CG 4.23Å; L409-W425 HydrophobicContact CD1-CD2 4.04Å; L409-W425 HydrophobicContact CD1-CE3 3.91Å; L409-W425 HydrophobicContact CD1-CH2 4.06Å; L409-W425 HydrophobicContact CD1-CZ2 4.19Å; L409-W425 HydrophobicContact CD1-CZ3 3.92Å; V410-W425 HydrophobicContact CG2-CB 3.77Å; F413-W425 AromaticContact CD2-CD1 3.44Å; F413-W425 VanDerWaalsContact CD2-CD1 3.44Å; F413-W425 HydrophobicContact CD2-CG 4.45Å; F413-W425 AromaticContact CD2-NE1 3.79Å; F413-W425 AromaticContact CE2-CD1 3.35Å; F413-W425 HydrophobicContact CE2-CG 4.46Å; F413-W425 AromaticContact CE2-NE1 3.16Å; F413-W425 AromaticContact CZ-NE1 3.84Å; H421-W425 PolarHBondContact O-N 3.27Å; A422-W425 PolarHBondContact O-N 3.45Å; E423-W425 VanDerWaalsContact C-N 3.33Å; E423-W425 PolarHBondContact O-N 3.39Å; W425-R428 HydrophobicContact CE3-CB 4.41Å; W425-R428 HydrophobicContact CE3-CG 4.41Å; W425-R428 WeakPolarHBondContact O-CB 3.45Å; W425-R428 PolarHBondContact O-N 3.33Å; W425-Q429 WeakPolarHBondContact O-CB 3.47Å; W425-Q429 PolarHBondContact O-N 3.46Å |
| 426 | A | 91.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.8 | -40.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V410 A422 E423 R428 Q429 L430 L449 | V410-A426 HydrophobicContact CG1-CB 4.35Å; V410-A426 HydrophobicContact CG2-CB 3.77Å; V410-A426 VanDerWaalsContact CG2-N 3.3Å; A422-A426 WeakPolarHBondContact O-CB 3.37Å; A422-A426 PolarHBondContact O-N 3.02Å; E423-A426 PolarHBondContact O-N 3.25Å; A426-R428 VanDerWaalsContact C-N 3.31Å; A426-R428 PolarHBondContact O-N 3.14Å; A426-Q429 WeakPolarHBondContact O-CB 3.43Å; A426-Q429 PolarHBondContact O-N 3.08Å; A426-L430 PolarHBondContact O-N 3.2Å; A426-L449 HydrophobicContact CB-CB 4.02Å; A426-L449 HydrophobicContact CB-CD1 3.89Å |
| 427 | R | 92.7 | Very high | 88.3 | Confident | 120 Ų | 120 | 68.3 Ų | 68.3 | 45% | 0.453 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.1 | -42.5 | 170.8 | -71.9 | -179.1 | -177.2 | -84.1 | -0.7 | 111.1 | E423 H424 Q429 L430 E431 L449 | E423-R427 WeakPolarHBondContact O-CG 3.48Å; E423-R427 PolarHBondContact O-N 2.9Å; E423-R427 IonicContact OE1-CZ 2.61Å; E423-R427 VanDerWaalsContact OE1-CZ 3.24Å; E423-R427 IonicContact OE1-NE 2.91Å; E423-R427 PolarHBondContact OE1-NE 3.15Å; E423-R427 IonicContact OE1-NH2 3.55Å; E423-R427 PolarHBondContact OE1-NH2 3.14Å; H424-R427 PolarHBondContact O-N 3.03Å; R427-Q429 PolarHBondContact O-N 2.91Å; R427-L430 PolarHBondContact O-N 3.04Å; R427-E431 WeakPolarHBondContact O-CG 3.31Å; R427-E431 PolarHBondContact O-N 3.28Å; R427-L449 HydrophobicContact CG-CD1 3.86Å; R427-L449 HydrophobicContact CG-CD2 4.34Å |
| 428 | R | 90.9 | Very high | 88.5 | Confident | 88 Ų | 88 | 68.1 Ų | 68.1 | 33% | 0.332 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.3 | -40.8 | 176.4 | -175.1 | 56.1 | 173.9 | -176.2 | -3.7 | 112.5 | H424 W425 A426 L430 E431 L432 | H424-R428 WeakPolarHBondContact O-CB 3.42Å; H424-R428 PolarHBondContact O-N 3.02Å; W425-R428 HydrophobicContact CE3-CB 4.41Å; W425-R428 HydrophobicContact CE3-CG 4.41Å; W425-R428 WeakPolarHBondContact O-CB 3.45Å; W425-R428 PolarHBondContact O-N 3.33Å; A426-R428 VanDerWaalsContact C-N 3.31Å; A426-R428 PolarHBondContact O-N 3.14Å; R428-L430 VanDerWaalsContact C-N 3.31Å; R428-L430 PolarHBondContact O-N 3.35Å; R428-E431 WeakPolarHBondContact CD-OE2 3.41Å; R428-E431 IonicContact CZ-OE2 3.94Å; R428-E431 IonicContact NH1-OE2 3.26Å; R428-E431 PolarHBondContact NH1-OE2 3.41Å; R428-E431 PolarHBondContact O-N 3.25Å; R428-L432 HydrophobicContact CG-CD1 4.41Å; R428-L432 WeakPolarHBondContact O-CG 3.25Å; R428-L432 PolarHBondContact O-N 2.91Å |
| 429 | Q | 92.6 | Very high | 88.5 | Confident | 7 Ų | 7 | 68.8 Ų | 68.8 | 3% | 0.033 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59 | -45.1 | 174.1 | -172.8 | -175.5 | -4 | 0 | 0 | 110.7 | C406 W425 A426 R427 L432 S433 A445 S448 | C406-Q429 HydrophobicContact CB-CB 3.89Å; C406-Q429 HydrophobicContact CB-CG 4.2Å; W425-Q429 WeakPolarHBondContact O-CB 3.47Å; W425-Q429 PolarHBondContact O-N 3.46Å; A426-Q429 WeakPolarHBondContact O-CB 3.43Å; A426-Q429 PolarHBondContact O-N 3.08Å; R427-Q429 PolarHBondContact O-N 2.91Å; Q429-L432 PolarHBondContact O-N 3.31Å; Q429-S433 WeakPolarHBondContact O-CB 3.49Å; Q429-S433 PolarHBondContact O-N 3.23Å; Q429-S433 PolarHBondContact O-OG 3.35Å; Q429-A445 HydrophobicContact CB-CB 4.47Å; Q429-A445 HydrophobicContact CG-CB 3.9Å; Q429-S448 VanDerWaalsContact OE1-CB 3.28Å; Q429-S448 PolarHBondContact OE1-OG 2.96Å |
| 430 | L | 91.1 | Very high | 88.5 | Confident | 28 Ų | 28 | 68.8 Ų | 68.8 | 15% | 0.147 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.7 | -45.6 | 177.3 | -172.7 | 65.3 | 0 | 0 | 0 | 111.9 | A426 R427 R428 L432 S433 L434 A445 L449 | A426-L430 PolarHBondContact O-N 3.2Å; R427-L430 PolarHBondContact O-N 3.04Å; R428-L430 VanDerWaalsContact C-N 3.31Å; R428-L430 PolarHBondContact O-N 3.35Å; L430-L432 VanDerWaalsContact C-N 3.29Å; L430-L432 PolarHBondContact O-N 3.24Å; L430-S433 WeakPolarHBondContact CA-OG 3.46Å; L430-S433 PolarHBondContact O-N 3.23Å; L430-S433 PolarHBondContact O-OG 3.09Å; L430-L434 HydrophobicContact CG-CD1 4.38Å; L430-L434 WeakPolarHBondContact O-CG 3.44Å; L430-L434 PolarHBondContact O-N 3.4Å; L430-A445 HydrophobicContact CB-CB 4.15Å; L430-A445 HydrophobicContact CD1-CB 3.88Å; L430-L449 HydrophobicContact CD2-CD2 3.88Å |
| 431 | E | 90.8 | Very high | 88.4 | Confident | 96 Ų | 96 | 61.7 Ų | 61.7 | 45% | 0.449 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57.2 | -39.7 | 174.6 | -73.6 | 173.8 | -171.8 | 0 | 0 | 113.2 | R427 R428 | R427-E431 WeakPolarHBondContact O-CG 3.31Å; R427-E431 PolarHBondContact O-N 3.28Å; R428-E431 WeakPolarHBondContact CD-OE2 3.41Å; R428-E431 IonicContact CZ-OE2 3.94Å; R428-E431 IonicContact NH1-OE2 3.26Å; R428-E431 PolarHBondContact NH1-OE2 3.41Å; R428-E431 PolarHBondContact O-N 3.25Å |
| 432 | L | 89.2 | Confident | 88.5 | Confident | 7 Ų | 7 | 59 Ų | 59 | 4% | 0.037 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -72.7 | -40.6 | 178.2 | -68.6 | 173.7 | 0 | 0 | 0 | 111.4 | V399 Q402 C403 R428 Q429 L430 L434 K435 | V399-L432 HydrophobicContact CG1-CB 4.27Å; V399-L432 HydrophobicContact CG1-CD2 4.32Å; Q402-L432 HydrophobicContact CB-CD1 4.01Å; C403-L432 WeakPolarHBondContact SG-CB 3.13Å; R428-L432 HydrophobicContact CG-CD1 4.41Å; R428-L432 WeakPolarHBondContact O-CG 3.25Å; R428-L432 PolarHBondContact O-N 2.91Å; Q429-L432 PolarHBondContact O-N 3.31Å; L430-L432 VanDerWaalsContact C-N 3.29Å; L430-L432 PolarHBondContact O-N 3.24Å; L432-L434 VanDerWaalsContact C-N 3.3Å; L432-L434 PolarHBondContact O-N 3.48Å; L432-K435 WeakPolarHBondContact O-CB 3.44Å; L432-K435 PolarHBondContact O-N 3.23Å; L432-K435 VanDerWaalsContact O-N 3.1Å |
| 433 | S | 89.4 | Confident | 88.4 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.007 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.8 | -35.8 | 177.5 | 71.1 | 0 | 0 | 0 | 0 | 112.6 | Q429 L430 K435 T436 | Q429-S433 WeakPolarHBondContact O-CB 3.49Å; Q429-S433 PolarHBondContact O-N 3.23Å; Q429-S433 PolarHBondContact O-OG 3.35Å; L430-S433 WeakPolarHBondContact CA-OG 3.46Å; L430-S433 PolarHBondContact O-N 3.23Å; L430-S433 PolarHBondContact O-OG 3.09Å; S433-K435 PolarHBondContact O-N 3.34Å; S433-T436 PolarHBondContact O-N 2.95Å; S433-T436 PolarHBondContact O-OG1 3.08Å |
| 434 | L | 87.9 | Confident | 88.2 | Confident | 102 Ų | 102 | 63 Ų | 63 | 53% | 0.534 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -16.5 | 176.9 | -70.1 | 170.9 | 0 | 0 | 0 | 113.5 | L430 L432 T436 E442 | L430-L434 HydrophobicContact CG-CD1 4.38Å; L430-L434 WeakPolarHBondContact O-CG 3.44Å; L430-L434 PolarHBondContact O-N 3.4Å; L432-L434 VanDerWaalsContact C-N 3.3Å; L432-L434 PolarHBondContact O-N 3.48Å; L434-T436 VanDerWaalsContact C-N 3.3Å; L434-E442 HydrophobicContact CD2-CG 4.3Å |
| 435 | K | 86.5 | Confident | 88.2 | Confident | 145 Ų | 145 | 57.6 Ų | 57.6 | 63% | 0.63 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -11.8 | 172.4 | -66.1 | 177.2 | -178.9 | -176.7 | 0 | 112.7 | L432 S433 | L432-K435 WeakPolarHBondContact O-CB 3.44Å; L432-K435 PolarHBondContact O-N 3.23Å; L432-K435 VanDerWaalsContact O-N 3.1Å; S433-K435 PolarHBondContact O-N 3.34Å |
| 436 | T | 81.2 | Confident | 88.2 | Confident | 26 Ų | 26 | 55.3 Ų | 55.3 | 16% | 0.16 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -104 | 143.4 | 176.6 | 61.1 | 0 | 0 | 0 | 0 | 108.9 | V399 E400 S433 L434 N438 | V399-T436 HydrophobicContact CB-CG2 4.2Å; V399-T436 HydrophobicContact CG1-CG2 3.76Å; E400-T436 HydrophobicContact CG-CG2 4.29Å; S433-T436 PolarHBondContact O-N 2.95Å; S433-T436 PolarHBondContact O-OG1 3.08Å; L434-T436 VanDerWaalsContact C-N 3.3Å; T436-N438 PolarHBondContact O-N 3.21Å |
| 437 | D | 79.7 | Confident | 88.1 | Confident | 177 Ų | 177 | 57.4 Ų | 57.4 | 95% | 0.947 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -75.8 | 15.2 | 171.9 | -66.7 | -31.9 | 0 | 0 | 0 | 112.4 | Q439 | D437-Q439 PolarHBondContact O-N 3.33Š|
| 438 | N | 84.6 | Confident | 88 | Confident | 52 Ų | 52 | 52.5 Ų | 52.5 | 28% | 0.278 | 25% | 0.251 | S | S | . | . | trans | -93.4 | 93.7 | -172.4 | -167.4 | -23.9 | 0 | 0 | 0 | 111 | E400 T436 L440 L441 E442 | E400-N438 PolarHBondContact OE1-ND2 3.28Å; E400-N438 VanDerWaalsContact OE1-ND2 3.07Å; T436-N438 PolarHBondContact O-N 3.21Å; N438-L440 PolarHBondContact O-N 3.2Å; N438-L440 VanDerWaalsContact O-N 3.17Å; N438-L440 WeakPolarHBondContact OD1-CB 3.48Å; N438-L440 PolarHBondContact OD1-N 2.63Å; N438-L441 HydrophobicContact CB-CB 4.36Å; N438-L441 HydrophobicContact CB-CD1 4.02Å; N438-L441 HydrophobicContact CB-CG 4.19Å; N438-L441 PolarHBondContact O-N 3.14Å; N438-L441 VanDerWaalsContact O-N 3.08Å; N438-E442 PolarHBondContact O-N 3.38Å | ||
| 439 | Q | 86.2 | Confident | 88.1 | Confident | 76 Ų | 76 | 48.7 Ų | 48.7 | 36% | 0.355 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.8 | -27.9 | -178.1 | -63.5 | -178 | -2.1 | 0 | 0 | 113.5 | D437 E442 A443 L472 I476 | D437-Q439 PolarHBondContact O-N 3.33Å; Q439-E442 PolarHBondContact O-N 3.41Å; Q439-A443 WeakPolarHBondContact O-CB 3.2Å; Q439-A443 PolarHBondContact O-N 3.45Å; Q439-L472 HydrophobicContact CB-CD2 4.39Å; Q439-I476 HydrophobicContact CB-CD1 3.78Å; Q439-I476 HydrophobicContact CB-CG1 4Å |
| 440 | L | 85.4 | Confident | 88.1 | Confident | 52 Ų | 52 | 48.3 Ų | 48.3 | 27% | 0.272 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.8 | -40.8 | 177 | -178.4 | 68.5 | 0 | 0 | 0 | 111.3 | N438 E442 A443 R444 I476 | N438-L440 PolarHBondContact O-N 3.2Å; N438-L440 VanDerWaalsContact O-N 3.17Å; N438-L440 WeakPolarHBondContact OD1-CB 3.48Å; N438-L440 PolarHBondContact OD1-N 2.63Å; L440-E442 VanDerWaalsContact C-N 3.35Å; L440-A443 PolarHBondContact O-N 2.83Å; L440-R444 WeakPolarHBondContact O-CG 3.44Å; L440-R444 PolarHBondContact O-N 2.72Å; L440-R444 VanDerWaalsContact O-N 3.08Å; L440-I476 HydrophobicContact CB-CD1 4.33Å |
| 441 | L | 85.5 | Confident | 88 | Confident | 23 Ų | 23 | 50.4 Ų | 50.4 | 12% | 0.12 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.6 | -37.9 | 175.6 | -68.1 | 179.4 | 0 | 0 | 0 | 111.2 | E400 C403 N438 R444 A445 | E400-L441 HydrophobicContact CB-CD1 4.03Å; E400-L441 HydrophobicContact CG-CD1 3.87Å; C403-L441 HydrophobicContact CB-CD2 4.46Å; N438-L441 HydrophobicContact CB-CB 4.36Å; N438-L441 HydrophobicContact CB-CD1 4.02Å; N438-L441 HydrophobicContact CB-CG 4.19Å; N438-L441 PolarHBondContact O-N 3.14Å; N438-L441 VanDerWaalsContact O-N 3.08Å; L441-R444 PolarHBondContact O-N 3.36Å; L441-A445 WeakPolarHBondContact O-CB 3.44Å; L441-A445 PolarHBondContact O-N 3.19Å |
| 442 | E | 89.1 | Confident | 88 | Confident | 34 Ų | 34 | 45.9 Ų | 45.9 | 16% | 0.159 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.9 | -45.2 | 174.7 | -169.5 | -176.9 | -179.3 | 0 | 0 | 111.4 | L434 N438 Q439 L440 R444 A445 C446 K468 L472 | L434-E442 HydrophobicContact CD2-CG 4.3Å; N438-E442 PolarHBondContact O-N 3.38Å; Q439-E442 PolarHBondContact O-N 3.41Å; L440-E442 VanDerWaalsContact C-N 3.35Å; E442-R444 PolarHBondContact O-N 3.05Å; E442-A445 PolarHBondContact O-N 2.82Å; E442-C446 PolarHBondContact O-N 3.37Å; E442-C446 PolarHBondContact O-SG 3.18Å; E442-K468 WeakPolarHBondContact OE1-CE 3.28Å; E442-K468 IonicContact OE1-NZ 3.88Å; E442-K468 PolarHBondContact OE1-NZ 2.89Å; E442-L472 HydrophobicContact CB-CD1 4.02Å; E442-L472 HydrophobicContact CG-CD1 3.71Å |
| 443 | A | 88.9 | Confident | 88.1 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 2% | 0.017 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61 | -45 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q439 L440 C446 E447 Q469 L472 | Q439-A443 WeakPolarHBondContact O-CB 3.2Å; Q439-A443 PolarHBondContact O-N 3.45Å; L440-A443 PolarHBondContact O-N 2.83Å; A443-C446 PolarHBondContact O-N 2.87Å; A443-E447 PolarHBondContact O-N 3.49Å; A443-Q469 HydrophobicContact CB-CG 4.39Å; A443-L472 HydrophobicContact CB-CB 4.03Å; A443-L472 HydrophobicContact CB-CD1 4.17Å |
| 444 | R | 87.3 | Confident | 88.1 | Confident | 125 Ų | 125 | 46.8 Ų | 46.8 | 47% | 0.472 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.7 | -37.1 | 175.9 | -71.7 | 178.6 | -179.6 | -172.9 | -0.1 | 112.7 | L440 L441 E442 E447 S448 | L440-R444 WeakPolarHBondContact O-CG 3.44Å; L440-R444 PolarHBondContact O-N 2.72Å; L440-R444 VanDerWaalsContact O-N 3.08Å; L441-R444 PolarHBondContact O-N 3.36Å; E442-R444 PolarHBondContact O-N 3.05Å; R444-E447 WeakPolarHBondContact O-CB 3.45Å; R444-E447 PolarHBondContact O-N 2.73Å; R444-S448 PolarHBondContact O-N 2.8Å; R444-S448 PolarHBondContact O-OG 3.37Å |
| 445 | A | 90.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69.9 | -38.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q429 L430 L441 E442 E447 L449 | Q429-A445 HydrophobicContact CB-CB 4.47Å; Q429-A445 HydrophobicContact CG-CB 3.9Å; L430-A445 HydrophobicContact CB-CB 4.15Å; L430-A445 HydrophobicContact CD1-CB 3.88Å; L441-A445 WeakPolarHBondContact O-CB 3.44Å; L441-A445 PolarHBondContact O-N 3.19Å; E442-A445 PolarHBondContact O-N 2.82Å; A445-E447 VanDerWaalsContact C-N 3.33Å; A445-L449 PolarHBondContact O-N 3.14Å; A445-L449 VanDerWaalsContact O-N 3.12Å |
| 446 | C | 91.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.9 | -43.5 | 170.3 | -74.1 | 0 | 0 | 0 | 0 | 111.4 | E442 A443 L449 A450 Q469 | E442-C446 PolarHBondContact O-N 3.37Å; E442-C446 PolarHBondContact O-SG 3.18Å; A443-C446 PolarHBondContact O-N 2.87Å; C446-L449 PolarHBondContact O-N 3.19Å; C446-A450 WeakPolarHBondContact O-CB 3.34Å; C446-A450 PolarHBondContact O-N 2.95Å; C446-Q469 HydrophobicContact CB-CB 4.42Å |
| 447 | E | 90.7 | Very high | 88 | Confident | 45 Ų | 45 | 42.9 Ų | 42.9 | 21% | 0.21 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.7 | -52.9 | 176.2 | -172.4 | 180 | -179.6 | 0 | 0 | 111.8 | A443 R444 A445 L449 A450 F451 R484 | A443-E447 PolarHBondContact O-N 3.49Å; R444-E447 WeakPolarHBondContact O-CB 3.45Å; R444-E447 PolarHBondContact O-N 2.73Å; A445-E447 VanDerWaalsContact C-N 3.33Å; E447-L449 VanDerWaalsContact C-N 3.33Å; E447-L449 PolarHBondContact O-N 3.47Å; E447-A450 PolarHBondContact O-N 3.44Å; E447-F451 WeakPolarHBondContact O-CB 3.36Å; E447-F451 PolarHBondContact O-N 3.21Å; E447-R484 IonicContact OE1-CZ 2.74Å; E447-R484 IonicContact OE1-NH1 3.92Å; E447-R484 PolarHBondContact OE1-NH1 3.04Å; E447-R484 IonicContact OE2-CZ 3.12Å; E447-R484 IonicContact OE2-NH1 3.84Å; E447-R484 PolarHBondContact OE2-NH1 3.27Å; E447-R484 IonicContact OE2-NH2 3.44Å |
| 448 | S | 90.6 | Very high | 88.4 | Confident | 17 Ų | 17 | 38.3 Ų | 38.3 | 12% | 0.119 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -55.3 | -46.4 | 178.7 | -66.8 | 0 | 0 | 0 | 0 | 112.4 | Q429 R444 I452 | Q429-S448 VanDerWaalsContact OE1-CB 3.28Å; Q429-S448 PolarHBondContact OE1-OG 2.96Å; R444-S448 PolarHBondContact O-N 2.8Å; R444-S448 PolarHBondContact O-OG 3.37Å; S448-I452 WeakPolarHBondContact O-CG1 3.39Å; S448-I452 PolarHBondContact O-N 2.99Å |
| 449 | L | 92.5 | Very high | 88.6 | Confident | 7 Ų | 7 | 39 Ų | 39 | 4% | 0.037 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -70.3 | -43.1 | -179.1 | -178.4 | 61.4 | 0 | 0 | 0 | 111.7 | E423 A426 R427 L430 A445 C446 E447 F451 I452 L453 L465 | E423-L449 HydrophobicContact CG-CD1 4.26Å; A426-L449 HydrophobicContact CB-CB 4.02Å; A426-L449 HydrophobicContact CB-CD1 3.89Å; R427-L449 HydrophobicContact CG-CD1 3.86Å; R427-L449 HydrophobicContact CG-CD2 4.34Å; L430-L449 HydrophobicContact CD2-CD2 3.88Å; A445-L449 PolarHBondContact O-N 3.14Å; A445-L449 VanDerWaalsContact O-N 3.12Å; C446-L449 PolarHBondContact O-N 3.19Å; E447-L449 VanDerWaalsContact C-N 3.33Å; E447-L449 PolarHBondContact O-N 3.47Å; L449-F451 VanDerWaalsContact C-N 3.31Å; L449-F451 PolarHBondContact O-N 3.48Å; L449-I452 PolarHBondContact O-N 3.3Å; L449-L453 HydrophobicContact CD1-CD1 4.49Å; L449-L453 HydrophobicContact CD1-CG 4.46Å; L449-L453 HydrophobicContact CG-CD1 4.15Å; L449-L453 VanDerWaalsContact O-CG 3.29Å; L449-L453 WeakPolarHBondContact O-CG 3.3Å; L449-L453 PolarHBondContact O-N 3.04Å; L449-L465 HydrophobicContact CB-CD1 3.96Å; L449-L465 HydrophobicContact CD2-CD1 3.62Å; L449-L465 HydrophobicContact CG-CD1 3.57Å |
| 450 | A | 91.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.8 | -41.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | C446 E447 L453 C454 A462 L465 Y466 | C446-A450 WeakPolarHBondContact O-CB 3.34Å; C446-A450 PolarHBondContact O-N 2.95Å; E447-A450 PolarHBondContact O-N 3.44Å; A450-L453 PolarHBondContact O-N 3.39Å; A450-C454 PolarHBondContact O-N 3.48Å; A450-C454 PolarHBondContact O-SG 3.41Å; A450-A462 HydrophobicContact CB-CB 4.35Å; A450-A462 WeakPolarHBondContact O-CB 3.45Å; A450-L465 HydrophobicContact CB-CB 3.79Å; A450-L465 HydrophobicContact CB-CD1 4.2Å; A450-Y466 HydrophobicContact CB-CD1 3.89Å; A450-Y466 HydrophobicContact CB-CD2 3.87Å; A450-Y466 HydrophobicContact CB-CE1 3.56Å; A450-Y466 HydrophobicContact CB-CE2 3.54Å; A450-Y466 HydrophobicContact CB-CG 4.02Å |
| 451 | F | 90.2 | Very high | 88.8 | Confident | 72 Ų | 72 | 42.8 Ų | 42.8 | 32% | 0.316 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59.7 | -48.3 | 176.1 | 178.7 | -98.8 | 0 | 0 | 0 | 111.9 | W414 E447 L449 L453 C454 Q455 Y466 | W414-F451 AromaticContact CD2-CE1 3.74Å; W414-F451 HydrophobicContact CD2-CE1 3.74Å; W414-F451 HydrophobicContact CD2-CZ 4.26Å; W414-F451 AromaticContact CE2-CE1 3.57Å; W414-F451 AromaticContact CE2-CZ 3.69Å; W414-F451 HydrophobicContact CE3-CE1 4.2Å; W414-F451 HydrophobicContact CG-CE1 4.12Å; W414-F451 HydrophobicContact CH2-CE1 4.35Å; W414-F451 AromaticContact CH2-CZ 3.95Å; W414-F451 HydrophobicContact CH2-CZ 3.95Å; W414-F451 AromaticContact CZ2-CE1 3.92Å; W414-F451 HydrophobicContact CZ2-CE1 3.92Å; W414-F451 AromaticContact CZ2-CZ 3.55Å; W414-F451 HydrophobicContact CZ2-CZ 3.55Å; W414-F451 HydrophobicContact CZ3-CE1 4.48Å; W414-F451 HydrophobicContact CZ3-CZ 4.45Å; W414-F451 AromaticContact NE1-CE1 3.82Å; E447-F451 WeakPolarHBondContact O-CB 3.36Å; E447-F451 PolarHBondContact O-N 3.21Å; L449-F451 VanDerWaalsContact C-N 3.31Å; L449-F451 PolarHBondContact O-N 3.48Å; F451-L453 VanDerWaalsContact C-N 3.32Å; F451-L453 PolarHBondContact O-N 3.35Å; F451-C454 WeakPolarHBondContact O-CB 3.03Å; F451-C454 PolarHBondContact O-N 3.03Å; F451-Q455 HydrophobicContact CD1-CG 4.41Å; F451-Q455 HydrophobicContact CE1-CG 4.03Å; F451-Q455 HydrophobicContact CZ-CG 4.19Å; F451-Q455 WeakPolarHBondContact O-CG 3.4Å; F451-Q455 PolarHBondContact O-N 3.39Å; F451-Q455 VanDerWaalsContact O-N 3.09Å; F451-Y466 WeakPolarHBondContact CA-OH 3.47Å; F451-Y466 PolarHBondContact N-OH 3.3Å |
| 452 | I | 91.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.3 | -38.4 | 177.7 | -62.6 | -59.2 | 0 | 0 | 0 | 111.6 | V410 W414 A422 E423 S448 L449 C454 Q455 I456 | V410-I452 HydrophobicContact CG1-CD1 3.87Å; V410-I452 HydrophobicContact CG1-CG1 3.68Å; W414-I452 HydrophobicContact CB-CD1 3.9Å; W414-I452 HydrophobicContact CG-CD1 4.16Å; A422-I452 HydrophobicContact CB-CD1 3.66Å; A422-I452 HydrophobicContact CB-CG1 4.1Å; A422-I452 HydrophobicContact CB-CG2 4.22Å; E423-I452 HydrophobicContact CB-CG2 3.97Å; S448-I452 WeakPolarHBondContact O-CG1 3.39Å; S448-I452 PolarHBondContact O-N 2.99Å; L449-I452 PolarHBondContact O-N 3.3Å; I452-C454 VanDerWaalsContact C-N 3.32Å; I452-C454 PolarHBondContact O-N 3.49Å; I452-Q455 WeakPolarHBondContact O-CB 3.47Å; I452-Q455 PolarHBondContact O-N 2.71Å; I452-Q455 VanDerWaalsContact O-N 3.13Å; I452-I456 HydrophobicContact CG2-CD1 3.84Å; I452-I456 HydrophobicContact CG2-CG1 4.41Å; I452-I456 WeakPolarHBondContact O-CG1 3.49Å; I452-I456 PolarHBondContact O-N 2.73Å |
| 453 | L | 90.8 | Very high | 89.1 | Confident | 7 Ų | 7 | 42.6 Ų | 42.6 | 4% | 0.037 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.1 | -37.1 | 174.5 | -70.4 | 171.6 | 0 | 0 | 0 | 112.3 | L449 A450 F451 Q455 I456 G457 E458 N461 A462 L465 | L449-L453 HydrophobicContact CD1-CD1 4.49Å; L449-L453 HydrophobicContact CD1-CG 4.46Å; L449-L453 HydrophobicContact CG-CD1 4.15Å; L449-L453 VanDerWaalsContact O-CG 3.29Å; L449-L453 WeakPolarHBondContact O-CG 3.3Å; L449-L453 PolarHBondContact O-N 3.04Å; A450-L453 PolarHBondContact O-N 3.39Å; F451-L453 VanDerWaalsContact C-N 3.32Å; F451-L453 PolarHBondContact O-N 3.35Å; L453-Q455 VanDerWaalsContact C-N 3.34Å; L453-I456 PolarHBondContact O-N 3.49Å; L453-G457 PolarHBondContact O-N 3.49Å; L453-G457 VanDerWaalsContact O-N 3.09Å; L453-E458 HydrophobicContact CB-CB 4.42Å; L453-E458 HydrophobicContact CD2-CB 4.25Å; L453-E458 PolarHBondContact O-N 3.06Å; L453-N461 HydrophobicContact CD1-CB 3.97Å; L453-A462 HydrophobicContact CB-CB 3.93Å; L453-L465 HydrophobicContact CD1-CD1 3.65Å |
| 454 | C | 88.3 | Confident | 89.2 | Confident | 21 Ų | 21 | 49.6 Ų | 49.6 | 14% | 0.142 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.9 | -42.2 | 171 | -69.2 | 0 | 0 | 0 | 0 | 112 | A450 F451 I452 I456 G457 Y459 A462 C492 | A450-C454 PolarHBondContact O-N 3.48Å; A450-C454 PolarHBondContact O-SG 3.41Å; F451-C454 WeakPolarHBondContact O-CB 3.03Å; F451-C454 PolarHBondContact O-N 3.03Å; I452-C454 VanDerWaalsContact C-N 3.32Å; I452-C454 PolarHBondContact O-N 3.49Å; C454-I456 VanDerWaalsContact C-N 3.32Å; C454-I456 PolarHBondContact O-N 2.97Å; C454-G457 PolarHBondContact O-N 3.36Å; C454-G457 VanDerWaalsContact O-N 3.11Å; C454-Y459 HydrophobicContact CB-CE1 4.46Å; C454-A462 WeakPolarHBondContact SG-CB 3.34Å; C454-C492 PolarHBondContact SG-SG 3.48Å |
| 455 | Q | 84.8 | Confident | 89.4 | Confident | 92 Ų | 92 | 45 Ų | 45 | 43% | 0.43 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -67.5 | -31.1 | 178.3 | -62.5 | -62.6 | -33.2 | 0 | 0 | 112.7 | L419 F451 I452 L453 G457 | L419-Q455 HydrophobicContact CD2-CB 4.04Å; F451-Q455 HydrophobicContact CD1-CG 4.41Å; F451-Q455 HydrophobicContact CE1-CG 4.03Å; F451-Q455 HydrophobicContact CZ-CG 4.19Å; F451-Q455 WeakPolarHBondContact O-CG 3.4Å; F451-Q455 PolarHBondContact O-N 3.39Å; F451-Q455 VanDerWaalsContact O-N 3.09Å; I452-Q455 WeakPolarHBondContact O-CB 3.47Å; I452-Q455 PolarHBondContact O-N 2.71Å; I452-Q455 VanDerWaalsContact O-N 3.13Å; L453-Q455 VanDerWaalsContact C-N 3.34Å; Q455-G457 VanDerWaalsContact C-N 3.28Å |
| 456 | I | 86.3 | Confident | 89.5 | Confident | 62 Ų | 62 | 45.6 Ų | 45.6 | 32% | 0.318 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -75 | -20.7 | 173.6 | -65.2 | 166.6 | 0 | 0 | 0 | 111.4 | L419 E423 I452 L453 C454 E458 | L419-I456 HydrophobicContact CB-CG1 4.03Å; L419-I456 HydrophobicContact CD1-CG1 4.12Å; E423-I456 HydrophobicContact CB-CD1 4.29Å; E423-I456 HydrophobicContact CG-CD1 4.41Å; I452-I456 HydrophobicContact CG2-CD1 3.84Å; I452-I456 HydrophobicContact CG2-CG1 4.41Å; I452-I456 WeakPolarHBondContact O-CG1 3.49Å; I452-I456 PolarHBondContact O-N 2.73Å; L453-I456 PolarHBondContact O-N 3.49Å; C454-I456 VanDerWaalsContact C-N 3.32Å; C454-I456 PolarHBondContact O-N 2.97Å; I456-E458 HydrophobicContact CG2-CG 4.21Å |
| 457 | G | 82.7 | Confident | 89.6 | Confident | 37 Ų | 37 | 48.8 Ų | 48.8 | 38% | 0.381 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.5 | 8.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L453 C454 Q455 Y459 | L453-G457 PolarHBondContact O-N 3.49Å; L453-G457 VanDerWaalsContact O-N 3.09Å; C454-G457 PolarHBondContact O-N 3.36Å; C454-G457 VanDerWaalsContact O-N 3.11Å; Q455-G457 VanDerWaalsContact C-N 3.28Å; G457-Y459 VanDerWaalsContact C-N 3.27Å; G457-Y459 VanDerWaalsContact O-CD2 3.22Å; G457-Y459 WeakPolarHBondContact O-CD2 3.32Å; G457-Y459 PolarHBondContact O-N 3Å; G457-Y459 VanDerWaalsContact O-N 3.1Å |
| 458 | E | 88 | Confident | 89.6 | Confident | 81 Ų | 81 | 50 Ų | 50 | 38% | 0.379 | 24% | 0.243 | S | C | . | . | trans | -85.7 | 59.9 | 176.2 | -68.1 | -167.2 | -170.9 | 0 | 0 | 112.2 | L453 I456 Q460 N461 A462 | L453-E458 HydrophobicContact CB-CB 4.42Å; L453-E458 HydrophobicContact CD2-CB 4.25Å; L453-E458 PolarHBondContact O-N 3.06Å; I456-E458 HydrophobicContact CG2-CG 4.21Å; E458-Q460 PolarHBondContact O-N 2.95Å; E458-Q460 VanDerWaalsContact O-N 3.16Å; E458-N461 HydrophobicContact CB-CB 4.4Å; E458-N461 PolarHBondContact O-N 2.74Å; E458-N461 VanDerWaalsContact O-N 3.13Å; E458-N461 PolarHBondContact OE2-ND2 3.15Å; E458-A462 PolarHBondContact O-N 2.84Å; E458-A462 VanDerWaalsContact O-N 3.11Å | ||
| 459 | Y | 88.5 | Confident | 89.7 | Confident | 66 Ų | 66 | 49.3 Ų | 49.3 | 26% | 0.259 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.9 | -31.3 | -175 | -56.9 | -73.7 | 0 | 0 | 0 | 114 | C454 G457 R463 K495 | C454-Y459 HydrophobicContact CB-CE1 4.46Å; G457-Y459 VanDerWaalsContact C-N 3.27Å; G457-Y459 VanDerWaalsContact O-CD2 3.22Å; G457-Y459 WeakPolarHBondContact O-CD2 3.32Å; G457-Y459 PolarHBondContact O-N 3Å; G457-Y459 VanDerWaalsContact O-N 3.1Å; Y459-R463 VanDerWaalsContact O-CB 3.24Å; Y459-R463 WeakPolarHBondContact O-CB 3.48Å; Y459-R463 PolarHBondContact O-N 2.86Å; Y459-K495 HydrophobicContact CD1-CB 3.93Å; Y459-K495 HydrophobicContact CD1-CG 4.32Å; Y459-K495 HydrophobicContact CD2-CB 4.23Å; Y459-K495 HydrophobicContact CE1-CB 3.78Å; Y459-K495 HydrophobicContact CE1-CG 3.78Å; Y459-K495 HydrophobicContact CE2-CB 4.1Å; Y459-K495 HydrophobicContact CG-CB 4.15Å |
| 460 | Q | 88 | Confident | 89.6 | Confident | 139 Ų | 139 | 49.5 Ų | 49.5 | 65% | 0.65 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -67.2 | -39.5 | 178.2 | -67.7 | -175.8 | -2.4 | 0 | 0 | 112.6 | E458 K464 L496 | E458-Q460 PolarHBondContact O-N 2.95Å; E458-Q460 VanDerWaalsContact O-N 3.16Å; Q460-K464 PolarHBondContact O-N 3.12Å; Q460-L496 HydrophobicContact CG-CD1 4.33Å; Q460-L496 HydrophobicContact CG-CD2 4.08Å |
| 461 | N | 88.2 | Confident | 89.5 | Confident | 69 Ų | 69 | 54.9 Ų | 54.9 | 37% | 0.369 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -74.6 | -40.4 | 178.3 | -71.8 | -24.7 | 0 | 0 | 0 | 110.7 | L453 E458 R463 K464 L465 | L453-N461 HydrophobicContact CD1-CB 3.97Å; E458-N461 HydrophobicContact CB-CB 4.4Å; E458-N461 PolarHBondContact O-N 2.74Å; E458-N461 VanDerWaalsContact O-N 3.13Å; E458-N461 PolarHBondContact OE2-ND2 3.15Å; N461-R463 VanDerWaalsContact C-N 3.34Å; N461-R463 PolarHBondContact O-N 3.44Å; N461-K464 PolarHBondContact O-N 2.7Å; N461-L465 PolarHBondContact O-N 2.98Å |
| 462 | A | 91.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.4 | -45.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | A450 L453 C454 E458 K464 L465 Y466 | A450-A462 HydrophobicContact CB-CB 4.35Å; A450-A462 WeakPolarHBondContact O-CB 3.45Å; L453-A462 HydrophobicContact CB-CB 3.93Å; C454-A462 WeakPolarHBondContact SG-CB 3.34Å; E458-A462 PolarHBondContact O-N 2.84Å; E458-A462 VanDerWaalsContact O-N 3.11Å; A462-K464 VanDerWaalsContact C-N 3.31Å; A462-K464 PolarHBondContact O-N 2.9Å; A462-L465 PolarHBondContact O-N 3.35Å; A462-Y466 HydrophobicContact CB-CD2 4.4Å; A462-Y466 HydrophobicContact CB-CE2 4.16Å; A462-Y466 VanDerWaalsContact O-CD2 3.26Å; A462-Y466 WeakPolarHBondContact O-CD2 3.21Å; A462-Y466 PolarHBondContact O-N 3.25Å |
| 463 | R | 89.4 | Confident | 89.3 | Confident | 52 Ų | 52 | 51.8 Ų | 51.8 | 20% | 0.196 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -55 | -42.4 | 177.3 | 179.8 | 177.8 | 166.3 | 173.9 | -0.7 | 112.6 | Y459 N461 L465 Y466 H467 L489 L498 E501 | Y459-R463 VanDerWaalsContact O-CB 3.24Å; Y459-R463 WeakPolarHBondContact O-CB 3.48Å; Y459-R463 PolarHBondContact O-N 2.86Å; N461-R463 VanDerWaalsContact C-N 3.34Å; N461-R463 PolarHBondContact O-N 3.44Å; R463-L465 VanDerWaalsContact C-N 3.34Å; R463-L465 PolarHBondContact O-N 3.12Å; R463-Y466 PolarHBondContact O-N 2.97Å; R463-H467 PolarHBondContact O-CD2 3.38Å; R463-H467 PolarHBondContact O-N 3.4Å; R463-L489 HydrophobicContact CG-CD2 3.86Å; R463-L498 VanDerWaalsContact NH1-CD1 3.28Å; R463-E501 IonicContact CZ-OE1 2.62Å; R463-E501 IonicContact CZ-OE2 3.93Å; R463-E501 IonicContact NH1-OE1 2.83Å; R463-E501 IonicContact NH1-OE2 2.71Å; R463-E501 PolarHBondContact NH1-OE2 2.86Å; R463-E501 VanDerWaalsContact NH2-CD 3.26Å; R463-E501 IonicContact NH2-OE1 3.24Å; R463-E501 PolarHBondContact NH2-OE1 3.46Å; R463-E501 IonicContact NH2-OE2 2.76Å; R463-E501 PolarHBondContact NH2-OE2 3.23Å |
| 464 | K | 91.7 | Very high | 89.2 | Confident | 149 Ų | 149 | 57.4 Ų | 57.4 | 65% | 0.648 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -61.8 | -41.4 | 176.8 | -68.8 | 175.2 | -177.1 | 171.7 | 0 | 112.2 | Q460 N461 A462 H467 K468 | Q460-K464 PolarHBondContact O-N 3.12Å; N461-K464 PolarHBondContact O-N 2.7Å; A462-K464 VanDerWaalsContact C-N 3.31Å; A462-K464 PolarHBondContact O-N 2.9Å; K464-H467 PolarHBondContact O-N 2.93Å; K464-K468 PolarHBondContact O-N 3.5Å |
| 465 | L | 91.5 | Very high | 89.2 | Confident | 29 Ų | 29 | 64.3 Ų | 64.3 | 15% | 0.152 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -70.1 | -39.5 | 178.7 | -69 | 174.1 | 0 | 0 | 0 | 112.1 | L449 A450 L453 N461 A462 R463 H467 K468 Q469 | L449-L465 HydrophobicContact CB-CD1 3.96Å; L449-L465 HydrophobicContact CD2-CD1 3.62Å; L449-L465 HydrophobicContact CG-CD1 3.57Å; A450-L465 HydrophobicContact CB-CB 3.79Å; A450-L465 HydrophobicContact CB-CD1 4.2Å; L453-L465 HydrophobicContact CD1-CD1 3.65Å; N461-L465 PolarHBondContact O-N 2.98Å; A462-L465 PolarHBondContact O-N 3.35Å; R463-L465 VanDerWaalsContact C-N 3.34Å; R463-L465 PolarHBondContact O-N 3.12Å; L465-H467 VanDerWaalsContact C-N 3.34Å; L465-H467 PolarHBondContact O-N 2.98Å; L465-K468 WeakPolarHBondContact O-CB 3.4Å; L465-K468 PolarHBondContact O-N 2.96Å; L465-Q469 PolarHBondContact O-N 3.27Å |
| 466 | Y | 93.1 | Very high | 89.2 | Confident | 12 Ų | 12 | 62.7 Ų | 62.7 | 5% | 0.047 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.2 | -35.3 | 175 | -71.6 | -56.5 | 0 | 0 | 0 | 112.5 | A450 F451 A462 R463 K468 Q469 V470 A488 | A450-Y466 HydrophobicContact CB-CD1 3.89Å; A450-Y466 HydrophobicContact CB-CD2 3.87Å; A450-Y466 HydrophobicContact CB-CE1 3.56Å; A450-Y466 HydrophobicContact CB-CE2 3.54Å; A450-Y466 HydrophobicContact CB-CG 4.02Å; F451-Y466 WeakPolarHBondContact CA-OH 3.47Å; F451-Y466 PolarHBondContact N-OH 3.3Å; A462-Y466 HydrophobicContact CB-CD2 4.4Å; A462-Y466 HydrophobicContact CB-CE2 4.16Å; A462-Y466 VanDerWaalsContact O-CD2 3.26Å; A462-Y466 WeakPolarHBondContact O-CD2 3.21Å; A462-Y466 PolarHBondContact O-N 3.25Å; R463-Y466 PolarHBondContact O-N 2.97Å; Y466-K468 VanDerWaalsContact C-N 3.33Å; Y466-K468 PolarHBondContact O-N 3.43Å; Y466-Q469 VanDerWaalsContact CD1-OE1 3.3Å; Y466-Q469 WeakPolarHBondContact O-CB 3.48Å; Y466-Q469 PolarHBondContact O-N 2.99Å; Y466-V470 WeakPolarHBondContact O-CG2 3.39Å; Y466-V470 PolarHBondContact O-N 2.93Å; Y466-A488 HydrophobicContact CD1-CB 3.76Å; Y466-A488 HydrophobicContact CD2-CB 3.96Å; Y466-A488 HydrophobicContact CE1-CB 3.45Å; Y466-A488 VanDerWaalsContact CE1-CB 3.45Å; Y466-A488 HydrophobicContact CE2-CB 3.65Å; Y466-A488 HydrophobicContact CG-CB 4.02Å |
| 467 | H | 92.6 | Very high | 89.1 | Confident | 68 Ų | 68 | 66.5 Ų | 66.5 | 32% | 0.315 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.9 | -44.1 | 170.5 | -83.2 | -63.4 | 0 | 0 | 0 | 112 | R463 K464 L465 Q469 V470 E471 F505 | R463-H467 PolarHBondContact O-CD2 3.38Å; R463-H467 PolarHBondContact O-N 3.4Å; K464-H467 PolarHBondContact O-N 2.93Å; L465-H467 VanDerWaalsContact C-N 3.34Å; L465-H467 PolarHBondContact O-N 2.98Å; H467-Q469 VanDerWaalsContact C-N 3.31Å; H467-Q469 PolarHBondContact O-N 3.33Å; H467-V470 WeakPolarHBondContact O-CB 3.44Å; H467-V470 PolarHBondContact O-N 2.84Å; H467-E471 PolarHBondContact O-N 3.17Å; H467-E471 VanDerWaalsContact O-N 3.09Å; H467-F505 AromaticContact CE1-CE1 3.85Å; H467-F505 AromaticContact CE1-CZ 3.56Å; H467-F505 AromaticContact NE2-CZ 3.96Å |
| 468 | K | 91.4 | Very high | 89.1 | Confident | 71 Ų | 71 | 66.8 Ų | 66.8 | 31% | 0.309 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.2 | -40.3 | 173.8 | -171.5 | 179.5 | 177.6 | -168.1 | 0 | 111.7 | E442 K464 L465 Y466 V470 E471 L472 | E442-K468 WeakPolarHBondContact OE1-CE 3.28Å; E442-K468 IonicContact OE1-NZ 3.88Å; E442-K468 PolarHBondContact OE1-NZ 2.89Å; K464-K468 PolarHBondContact O-N 3.5Å; L465-K468 WeakPolarHBondContact O-CB 3.4Å; L465-K468 PolarHBondContact O-N 2.96Å; Y466-K468 VanDerWaalsContact C-N 3.33Å; Y466-K468 PolarHBondContact O-N 3.43Å; K468-V470 VanDerWaalsContact C-N 3.35Å; K468-V470 PolarHBondContact O-N 3.4Å; K468-E471 PolarHBondContact O-N 3.25Å; K468-L472 HydrophobicContact CG-CD1 4.37Å; K468-L472 WeakPolarHBondContact O-CG 3.21Å; K468-L472 PolarHBondContact O-N 2.98Å |
| 469 | Q | 90.9 | Very high | 88.9 | Confident | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.5 | -41 | 174.8 | -174.8 | -178.3 | -3.2 | 0 | 0 | 112 | A443 C446 L465 Y466 H467 E471 L472 A473 A485 | A443-Q469 HydrophobicContact CB-CG 4.39Å; C446-Q469 HydrophobicContact CB-CB 4.42Å; L465-Q469 PolarHBondContact O-N 3.27Å; Y466-Q469 VanDerWaalsContact CD1-OE1 3.3Å; Y466-Q469 WeakPolarHBondContact O-CB 3.48Å; Y466-Q469 PolarHBondContact O-N 2.99Å; H467-Q469 VanDerWaalsContact C-N 3.31Å; H467-Q469 PolarHBondContact O-N 3.33Å; Q469-E471 VanDerWaalsContact C-N 3.35Å; Q469-E471 PolarHBondContact O-N 3.34Å; Q469-L472 PolarHBondContact O-N 3.5Å; Q469-A473 VanDerWaalsContact O-CB 3.3Å; Q469-A473 WeakPolarHBondContact O-CB 3.32Å; Q469-A473 PolarHBondContact O-N 3.02Å; Q469-A485 HydrophobicContact CB-CB 4.39Å; Q469-A485 HydrophobicContact CG-CB 4.06Å |
| 470 | V | 91.1 | Very high | 88.7 | Confident | 11 Ų | 11 | 66.9 Ų | 66.9 | 7% | 0.067 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.9 | -43.1 | 174.6 | 169.8 | 0 | 0 | 0 | 0 | 111.3 | Y466 H467 K468 L472 K474 L482 A485 F486 L489 | Y466-V470 WeakPolarHBondContact O-CG2 3.39Å; Y466-V470 PolarHBondContact O-N 2.93Å; H467-V470 WeakPolarHBondContact O-CB 3.44Å; H467-V470 PolarHBondContact O-N 2.84Å; K468-V470 VanDerWaalsContact C-N 3.35Å; K468-V470 PolarHBondContact O-N 3.4Å; V470-L472 VanDerWaalsContact C-N 3.35Å; V470-K474 HydrophobicContact CG1-CD 4.23Å; V470-K474 WeakPolarHBondContact O-CB 3.28Å; V470-K474 WeakPolarHBondContact O-CG 3.14Å; V470-K474 PolarHBondContact O-N 3.35Å; V470-L482 HydrophobicContact CB-CD1 4.44Å; V470-L482 HydrophobicContact CG1-CD1 3.85Å; V470-L482 HydrophobicContact CG2-CD1 4.47Å; V470-A485 HydrophobicContact CG2-CB 3.61Å; V470-F486 HydrophobicContact CG1-CE1 4.11Å; V470-F486 HydrophobicContact CG1-CZ 4.22Å; V470-F486 HydrophobicContact CG2-CD1 4.31Å; V470-F486 HydrophobicContact CG2-CE1 4.25Å; V470-L489 HydrophobicContact CG2-CD1 3.76Å |
| 471 | E | 90.2 | Very high | 88.5 | Confident | 114 Ų | 114 | 60.4 Ų | 60.4 | 53% | 0.533 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.3 | -41.6 | 176.8 | -69.9 | 177.7 | -172.6 | 0 | 0 | 112.2 | H467 K468 Q469 R475 | H467-E471 PolarHBondContact O-N 3.17Å; H467-E471 VanDerWaalsContact O-N 3.09Å; K468-E471 PolarHBondContact O-N 3.25Å; Q469-E471 VanDerWaalsContact C-N 3.35Å; Q469-E471 PolarHBondContact O-N 3.34Å; E471-R475 WeakPolarHBondContact O-CG 3.34Å; E471-R475 PolarHBondContact O-N 2.97Å |
| 472 | L | 89.4 | Confident | 88.6 | Confident | 6 Ų | 6 | 57.7 Ų | 57.7 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.3 | -46.3 | 177.2 | -67.9 | 171.1 | 0 | 0 | 0 | 111.7 | Q439 E442 A443 K468 Q469 V470 K474 R475 I476 | Q439-L472 HydrophobicContact CB-CD2 4.39Å; E442-L472 HydrophobicContact CB-CD1 4.02Å; E442-L472 HydrophobicContact CG-CD1 3.71Å; A443-L472 HydrophobicContact CB-CB 4.03Å; A443-L472 HydrophobicContact CB-CD1 4.17Å; K468-L472 HydrophobicContact CG-CD1 4.37Å; K468-L472 WeakPolarHBondContact O-CG 3.21Å; K468-L472 PolarHBondContact O-N 2.98Å; Q469-L472 PolarHBondContact O-N 3.5Å; V470-L472 VanDerWaalsContact C-N 3.35Å; L472-K474 VanDerWaalsContact C-N 3.27Å; L472-K474 PolarHBondContact O-N 2.88Å; L472-R475 WeakPolarHBondContact O-CB 3.47Å; L472-R475 PolarHBondContact O-N 3.24Å; L472-I476 WeakPolarHBondContact O-CD1 3.4Å; L472-I476 VanDerWaalsContact O-CG1 3.3Å; L472-I476 WeakPolarHBondContact O-CG1 3.44Å; L472-I476 PolarHBondContact O-N 2.89Å; L472-I476 VanDerWaalsContact O-N 3.1Å |
| 473 | A | 87.9 | Confident | 88.5 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.8 | -38 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | Q469 R475 I476 D477 D478 L482 | Q469-A473 VanDerWaalsContact O-CB 3.3Å; Q469-A473 WeakPolarHBondContact O-CB 3.32Å; Q469-A473 PolarHBondContact O-N 3.02Å; A473-R475 VanDerWaalsContact C-N 3.32Å; A473-R475 PolarHBondContact O-N 3.4Å; A473-I476 PolarHBondContact O-N 3.45Å; A473-D477 PolarHBondContact O-N 3.49Å; A473-D477 VanDerWaalsContact O-N 3.09Å; A473-D478 PolarHBondContact O-N 3.09Å; A473-D478 VanDerWaalsContact O-N 3.15Å; A473-L482 HydrophobicContact CB-CB 4.12Å; A473-L482 HydrophobicContact CB-CD1 4.32Å |
| 474 | K | 88.6 | Confident | 88.4 | Confident | 125 Ų | 125 | 60 Ų | 60 | 54% | 0.543 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.9 | -25 | 173.5 | -74.8 | 179.6 | 179.5 | -178.5 | 0 | 114.3 | V470 L472 L482 | V470-K474 HydrophobicContact CG1-CD 4.23Å; V470-K474 WeakPolarHBondContact O-CB 3.28Å; V470-K474 WeakPolarHBondContact O-CG 3.14Å; V470-K474 PolarHBondContact O-N 3.35Å; L472-K474 VanDerWaalsContact C-N 3.27Å; L472-K474 PolarHBondContact O-N 2.88Å; K474-L482 HydrophobicContact CG-CD1 3.96Å; K474-L482 HydrophobicContact CG-CD2 4.43Å |
| 475 | R | 88.2 | Confident | 88.4 | Confident | 165 Ų | 165 | 52.9 Ų | 52.9 | 62% | 0.623 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -80.9 | -28.8 | 175.3 | -71.5 | 175.1 | -173.8 | 179.5 | 4.8 | 112.3 | E471 L472 A473 | E471-R475 WeakPolarHBondContact O-CG 3.34Å; E471-R475 PolarHBondContact O-N 2.97Å; L472-R475 WeakPolarHBondContact O-CB 3.47Å; L472-R475 PolarHBondContact O-N 3.24Å; A473-R475 VanDerWaalsContact C-N 3.32Å; A473-R475 PolarHBondContact O-N 3.4Å |
| 476 | I | 84.9 | Confident | 88.5 | Confident | 58 Ų | 58 | 52.4 Ų | 52.4 | 30% | 0.297 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -89 | -10.8 | -178.4 | -57.1 | 161.4 | 0 | 0 | 0 | 111.3 | Q439 L440 L472 A473 D478 | Q439-I476 HydrophobicContact CB-CD1 3.78Å; Q439-I476 HydrophobicContact CB-CG1 4Å; L440-I476 HydrophobicContact CB-CD1 4.33Å; L472-I476 WeakPolarHBondContact O-CD1 3.4Å; L472-I476 VanDerWaalsContact O-CG1 3.3Å; L472-I476 WeakPolarHBondContact O-CG1 3.44Å; L472-I476 PolarHBondContact O-N 2.89Å; L472-I476 VanDerWaalsContact O-N 3.1Å; A473-I476 PolarHBondContact O-N 3.45Å; I476-D478 HydrophobicContact CB-CB 4.38Å; I476-D478 HydrophobicContact CG2-CB 4.1Å; I476-D478 PolarHBondContact O-N 3.29Å |
| 477 | D | 83.4 | Confident | 88.4 | Confident | 143 Ų | 143 | 54.5 Ų | 54.5 | 77% | 0.765 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 33.3 | -168.7 | -70.9 | -30.6 | 0 | 0 | 0 | 113 | A473 S479 | A473-D477 PolarHBondContact O-N 3.49Å; A473-D477 VanDerWaalsContact O-N 3.09Å; D477-S479 PolarHBondContact O-N 3.2Å |
| 478 | D | 82.6 | Confident | 88.3 | Confident | 42 Ų | 42 | 51.9 Ų | 51.9 | 23% | 0.225 | 25% | 0.246 | C | C | . | . | trans | -90.5 | 96.5 | 177.5 | -177.6 | 4.2 | 0 | 0 | 0 | 111 | A473 I476 D480 S481 L482 | A473-D478 PolarHBondContact O-N 3.09Å; A473-D478 VanDerWaalsContact O-N 3.15Å; I476-D478 HydrophobicContact CB-CB 4.38Å; I476-D478 HydrophobicContact CG2-CB 4.1Å; I476-D478 PolarHBondContact O-N 3.29Å; D478-D480 PolarHBondContact O-N 3.48Å; D478-D480 PolarHBondContact OD1-N 3.25Å; D478-S481 PolarHBondContact OD1-N 3.18Å; D478-S481 WeakPolarHBondContact OD2-CB 3.41Å; D478-S481 PolarHBondContact OD2-OG 3.23Å; D478-L482 WeakPolarHBondContact O-CB 3.28Å; D478-L482 PolarHBondContact O-N 3.42Å; D478-L482 VanDerWaalsContact O-N 3.1Å | ||
| 479 | S | 84.8 | Confident | 88.4 | Confident | 47 Ų | 47 | 48.5 Ų | 48.5 | 33% | 0.329 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -67.3 | -33.3 | -176.3 | -58.4 | 0 | 0 | 0 | 0 | 113.1 | D477 L482 I483 C516 | D477-S479 PolarHBondContact O-N 3.2Å; S479-L482 WeakPolarHBondContact O-CB 3.26Å; S479-L482 PolarHBondContact O-N 3.23Å; S479-I483 VanDerWaalsContact O-CG1 3.28Å; S479-I483 WeakPolarHBondContact O-CG1 3.44Å; S479-I483 PolarHBondContact O-N 3.38Å; S479-C516 WeakPolarHBondContact CB-SG 3.37Å |
| 480 | D | 83.5 | Confident | 88.4 | Confident | 103 Ų | 103 | 48.5 Ų | 48.5 | 55% | 0.551 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -69.5 | -42 | -179.9 | -81.5 | -5 | 0 | 0 | 0 | 111.6 | D478 L482 R484 | D478-D480 PolarHBondContact O-N 3.48Å; D478-D480 PolarHBondContact OD1-N 3.25Å; D480-L482 VanDerWaalsContact C-N 3.29Å; D480-R484 WeakPolarHBondContact O-CG 3.31Å; D480-R484 PolarHBondContact O-N 3.03Å; D480-R484 VanDerWaalsContact O-N 3.12Å; D480-R484 PolarHBondContact O-NE 3.49Å |
| 481 | S | 84.6 | Confident | 88.3 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.014 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.2 | -34.5 | 173.4 | -68.1 | 0 | 0 | 0 | 0 | 111.8 | D478 R484 A485 | D478-S481 PolarHBondContact OD1-N 3.18Å; D478-S481 WeakPolarHBondContact OD2-CB 3.41Å; D478-S481 PolarHBondContact OD2-OG 3.23Å; S481-R484 PolarHBondContact OG-NH2 3.04Å; S481-A485 VanDerWaalsContact O-CB 3.31Å; S481-A485 WeakPolarHBondContact O-CB 3.47Å; S481-A485 PolarHBondContact O-N 2.7Å |
| 482 | L | 89.5 | Confident | 88.3 | Confident | 13 Ų | 13 | 46.4 Ų | 46.4 | 7% | 0.068 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.5 | -45.8 | 176.7 | -173.6 | 63.8 | 0 | 0 | 0 | 112 | V470 A473 K474 D478 S479 D480 A485 F486 E512 | V470-L482 HydrophobicContact CB-CD1 4.44Å; V470-L482 HydrophobicContact CG1-CD1 3.85Å; V470-L482 HydrophobicContact CG2-CD1 4.47Å; A473-L482 HydrophobicContact CB-CB 4.12Å; A473-L482 HydrophobicContact CB-CD1 4.32Å; K474-L482 HydrophobicContact CG-CD1 3.96Å; K474-L482 HydrophobicContact CG-CD2 4.43Å; D478-L482 WeakPolarHBondContact O-CB 3.28Å; D478-L482 PolarHBondContact O-N 3.42Å; D478-L482 VanDerWaalsContact O-N 3.1Å; S479-L482 WeakPolarHBondContact O-CB 3.26Å; S479-L482 PolarHBondContact O-N 3.23Å; D480-L482 VanDerWaalsContact C-N 3.29Å; L482-A485 PolarHBondContact O-N 3.21Å; L482-F486 HydrophobicContact CD1-CD2 4.17Å; L482-F486 HydrophobicContact CD1-CE2 3.59Å; L482-F486 HydrophobicContact CD1-CZ 3.89Å; L482-F486 HydrophobicContact CD2-CE2 4.01Å; L482-F486 HydrophobicContact CG-CD2 3.94Å; L482-F486 HydrophobicContact CG-CE2 3.52Å; L482-F486 HydrophobicContact CG-CZ 4.32Å; L482-F486 WeakPolarHBondContact O-CD2 3.09Å; L482-F486 PolarHBondContact O-N 2.89Å; L482-E512 HydrophobicContact CD2-CG 3.91Å; L482-E512 HydrophobicContact CG-CG 4.47Å |
| 483 | I | 89.5 | Confident | 88.4 | Confident | 6 Ų | 6 | 46.1 Ų | 46.1 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.4 | -48.6 | 175.8 | -70.4 | 165.9 | 0 | 0 | 0 | 110.4 | S479 A485 F486 R487 E509 E512 A513 C516 | S479-I483 VanDerWaalsContact O-CG1 3.28Å; S479-I483 WeakPolarHBondContact O-CG1 3.44Å; S479-I483 PolarHBondContact O-N 3.38Å; I483-A485 VanDerWaalsContact C-N 3.33Å; I483-A485 PolarHBondContact O-N 3.26Å; I483-F486 PolarHBondContact O-N 3.32Å; I483-R487 PolarHBondContact O-N 3.1Å; I483-E509 HydrophobicContact CG2-CG 3.97Å; I483-E512 HydrophobicContact CG1-CB 3.87Å; I483-A513 HydrophobicContact CD1-CB 4.45Å; I483-C516 HydrophobicContact CD1-CB 4.44Å |
| 484 | R | 87.5 | Confident | 88.4 | Confident | 93 Ų | 93 | 47.2 Ų | 47.2 | 35% | 0.351 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.9 | -40.3 | 177.9 | -74 | -175 | -70.8 | 140.5 | 0.1 | 112.4 | E447 D480 S481 R487 A488 | E447-R484 IonicContact OE1-CZ 2.74Å; E447-R484 IonicContact OE1-NH1 3.92Å; E447-R484 PolarHBondContact OE1-NH1 3.04Å; E447-R484 IonicContact OE2-CZ 3.12Å; E447-R484 IonicContact OE2-NH1 3.84Å; E447-R484 PolarHBondContact OE2-NH1 3.27Å; E447-R484 IonicContact OE2-NH2 3.44Å; D480-R484 WeakPolarHBondContact O-CG 3.31Å; D480-R484 PolarHBondContact O-N 3.03Å; D480-R484 VanDerWaalsContact O-N 3.12Å; D480-R484 PolarHBondContact O-NE 3.49Å; S481-R484 PolarHBondContact OG-NH2 3.04Å; R484-R487 PolarHBondContact O-N 3.42Å; R484-A488 WeakPolarHBondContact O-CB 3.32Å; R484-A488 PolarHBondContact O-N 2.92Å |
| 485 | A | 90.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.9 | -41.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q469 V470 S481 L482 I483 A488 L489 | Q469-A485 HydrophobicContact CB-CB 4.39Å; Q469-A485 HydrophobicContact CG-CB 4.06Å; V470-A485 HydrophobicContact CG2-CB 3.61Å; S481-A485 VanDerWaalsContact O-CB 3.31Å; S481-A485 WeakPolarHBondContact O-CB 3.47Å; S481-A485 PolarHBondContact O-N 2.7Å; L482-A485 PolarHBondContact O-N 3.21Å; I483-A485 VanDerWaalsContact C-N 3.33Å; I483-A485 PolarHBondContact O-N 3.26Å; A485-A488 PolarHBondContact O-N 3.07Å; A485-L489 WeakPolarHBondContact O-CG 3.36Å; A485-L489 PolarHBondContact O-N 3.3Å |
| 486 | F | 93.7 | Very high | 88.4 | Confident | 19 Ų | 19 | 42.1 Ų | 42.1 | 8% | 0.083 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.1 | -43.7 | 174.1 | -76.2 | -46.7 | 0 | 0 | 0 | 112.3 | V470 L482 I483 A488 L489 G490 F505 A508 E509 E512 | V470-F486 HydrophobicContact CG1-CE1 4.11Å; V470-F486 HydrophobicContact CG1-CZ 4.22Å; V470-F486 HydrophobicContact CG2-CD1 4.31Å; V470-F486 HydrophobicContact CG2-CE1 4.25Å; L482-F486 HydrophobicContact CD1-CD2 4.17Å; L482-F486 HydrophobicContact CD1-CE2 3.59Å; L482-F486 HydrophobicContact CD1-CZ 3.89Å; L482-F486 HydrophobicContact CD2-CE2 4.01Å; L482-F486 HydrophobicContact CG-CD2 3.94Å; L482-F486 HydrophobicContact CG-CE2 3.52Å; L482-F486 HydrophobicContact CG-CZ 4.32Å; L482-F486 WeakPolarHBondContact O-CD2 3.09Å; L482-F486 PolarHBondContact O-N 2.89Å; I483-F486 PolarHBondContact O-N 3.32Å; F486-A488 VanDerWaalsContact C-N 3.33Å; F486-A488 PolarHBondContact O-N 3.14Å; F486-L489 PolarHBondContact O-N 3.02Å; F486-G490 PolarHBondContact O-N 3.5Å; F486-F505 HydrophobicContact CD1-CD1 4.21Å; F486-A508 HydrophobicContact CD1-CB 3.95Å; F486-A508 HydrophobicContact CD2-CB 4.05Å; F486-A508 HydrophobicContact CE1-CB 3.92Å; F486-A508 HydrophobicContact CE2-CB 3.99Å; F486-A508 HydrophobicContact CG-CB 4.03Å; F486-A508 HydrophobicContact CZ-CB 3.94Å; F486-E509 HydrophobicContact CB-CB 3.89Å; F486-E512 HydrophobicContact CD2-CG 4.39Å; F486-E512 HydrophobicContact CE2-CG 4.02Å |
| 487 | R | 91.7 | Very high | 88.4 | Confident | 56 Ų | 56 | 47.2 Ų | 47.2 | 21% | 0.211 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -55.4 | -49.5 | 174 | -174.4 | 180 | -64.2 | 161.3 | 4.2 | 111.6 | I483 R484 L489 G490 I491 E509 | I483-R487 PolarHBondContact O-N 3.1Å; R484-R487 PolarHBondContact O-N 3.42Å; R487-L489 PolarHBondContact O-N 2.95Å; R487-G490 PolarHBondContact O-N 3.35Å; R487-I491 HydrophobicContact CG-CD1 3.99Å; R487-I491 WeakPolarHBondContact O-CG1 3.28Å; R487-I491 PolarHBondContact O-N 3.18Å; R487-E509 WeakPolarHBondContact CA-OE2 3.31Å; R487-E509 HydrophobicContact CB-CG 4.41Å; R487-E509 WeakPolarHBondContact CB-OE2 3.48Å; R487-E509 IonicContact CZ-OE1 2.72Å; R487-E509 VanDerWaalsContact CZ-OE1 3.22Å; R487-E509 IonicContact NE-OE1 2.86Å; R487-E509 PolarHBondContact NE-OE1 3.19Å; R487-E509 IonicContact NH2-OE1 3.88Å; R487-E509 PolarHBondContact NH2-OE1 3.38Å |
| 488 | A | 90.8 | Very high | 88.7 | Confident | 14 Ų | 14 | 43.9 Ų | 43.9 | 12% | 0.116 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.4 | -37 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y466 R484 A485 F486 I491 C492 | Y466-A488 HydrophobicContact CD1-CB 3.76Å; Y466-A488 HydrophobicContact CD2-CB 3.96Å; Y466-A488 HydrophobicContact CE1-CB 3.45Å; Y466-A488 VanDerWaalsContact CE1-CB 3.45Å; Y466-A488 HydrophobicContact CE2-CB 3.65Å; Y466-A488 HydrophobicContact CG-CB 4.02Å; R484-A488 WeakPolarHBondContact O-CB 3.32Å; R484-A488 PolarHBondContact O-N 2.92Å; A485-A488 PolarHBondContact O-N 3.07Å; F486-A488 VanDerWaalsContact C-N 3.33Å; F486-A488 PolarHBondContact O-N 3.14Å; A488-I491 PolarHBondContact O-N 2.94Å; A488-C492 WeakPolarHBondContact O-CB 3.31Å; A488-C492 PolarHBondContact O-N 3.05Å; A488-C492 PolarHBondContact O-SG 2.88Å |
| 489 | L | 92.8 | Very high | 89 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.5 | -45.2 | 171.4 | -76.9 | 169 | 0 | 0 | 0 | 111.6 | R463 V470 A485 F486 R487 I491 C492 S493 F505 | R463-L489 HydrophobicContact CG-CD2 3.86Å; V470-L489 HydrophobicContact CG2-CD1 3.76Å; A485-L489 WeakPolarHBondContact O-CG 3.36Å; A485-L489 PolarHBondContact O-N 3.3Å; F486-L489 PolarHBondContact O-N 3.02Å; R487-L489 PolarHBondContact O-N 2.95Å; L489-I491 PolarHBondContact O-N 3.31Å; L489-C492 PolarHBondContact O-N 3.07Å; L489-S493 WeakPolarHBondContact O-CB 3.39Å; L489-S493 PolarHBondContact O-N 3.35Å; L489-S493 PolarHBondContact O-OG 3.43Å; L489-S493 VanDerWaalsContact O-OG 3.11Å; L489-F505 HydrophobicContact CB-CB 4.23Å; L489-F505 HydrophobicContact CB-CD1 3.93Å; L489-F505 HydrophobicContact CB-CD2 3.89Å; L489-F505 HydrophobicContact CB-CE1 4.28Å; L489-F505 HydrophobicContact CB-CE2 4.24Å; L489-F505 HydrophobicContact CB-CG 3.75Å; L489-F505 HydrophobicContact CB-CZ 4.43Å; L489-F505 HydrophobicContact CD1-CD1 4Å; L489-F505 HydrophobicContact CD1-CE1 3.86Å; L489-F505 HydrophobicContact CD1-CZ 4.4Å |
| 490 | G | 91.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.4 | -44.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | F486 R487 S493 T494 H506 | F486-G490 PolarHBondContact O-N 3.5Å; R487-G490 PolarHBondContact O-N 3.35Å; G490-S493 PolarHBondContact O-N 3.27Å; G490-T494 WeakPolarHBondContact O-CB 2.93Å; G490-T494 PolarHBondContact O-N 3.07Å; G490-T494 PolarHBondContact O-OG1 3.47Å; G490-H506 VanDerWaalsContact CA-NE2 3.31Å; G490-H506 WeakPolarHBondContact CA-NE2 3.5Å |
| 491 | I | 88.8 | Confident | 89.6 | Confident | 80 Ų | 80 | 45.1 Ų | 45.1 | 41% | 0.41 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.1 | -45.7 | 175.2 | -66 | 166.8 | 0 | 0 | 0 | 111.1 | R487 A488 L489 S493 T494 K495 | R487-I491 HydrophobicContact CG-CD1 3.99Å; R487-I491 WeakPolarHBondContact O-CG1 3.28Å; R487-I491 PolarHBondContact O-N 3.18Å; A488-I491 PolarHBondContact O-N 2.94Å; L489-I491 PolarHBondContact O-N 3.31Å; I491-S493 PolarHBondContact O-N 3.47Å; I491-T494 PolarHBondContact O-N 3.36Å; I491-K495 WeakPolarHBondContact O-CG 3.01Å; I491-K495 PolarHBondContact O-N 2.77Å |
| 492 | C | 90.4 | Very high | 90 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.007 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.7 | -45 | 177.2 | -70.6 | 0 | 0 | 0 | 0 | 111.9 | C454 A488 L489 T494 K495 L496 | C454-C492 PolarHBondContact SG-SG 3.48Å; A488-C492 WeakPolarHBondContact O-CB 3.31Å; A488-C492 PolarHBondContact O-N 3.05Å; A488-C492 PolarHBondContact O-SG 2.88Å; L489-C492 PolarHBondContact O-N 3.07Å; C492-T494 VanDerWaalsContact C-N 3.31Å; C492-T494 PolarHBondContact O-N 2.93Å; C492-K495 PolarHBondContact O-N 3.27Å; C492-L496 WeakPolarHBondContact O-CB 3.41Å; C492-L496 WeakPolarHBondContact O-CG 3.44Å; C492-L496 PolarHBondContact O-N 3Å |
| 493 | S | 91.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.1 | -38.5 | 177.3 | -66.1 | 0 | 0 | 0 | 0 | 111.7 | L489 G490 I491 L496 K497 L498 | L489-S493 WeakPolarHBondContact O-CB 3.39Å; L489-S493 PolarHBondContact O-N 3.35Å; L489-S493 PolarHBondContact O-OG 3.43Å; L489-S493 VanDerWaalsContact O-OG 3.11Å; G490-S493 PolarHBondContact O-N 3.27Å; I491-S493 PolarHBondContact O-N 3.47Å; S493-L496 CarbonylContact O-C 3.07Å; S493-L496 PolarHBondContact O-N 3.37Å; S493-K497 PolarHBondContact O-N 3.28Å; S493-L498 PolarHBondContact O-N 2.69Å |
| 494 | T | 88.6 | Confident | 90.2 | Very high | 25 Ų | 25 | 52.2 Ų | 52.2 | 15% | 0.153 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.1 | -45.6 | 175.3 | -55.9 | 0 | 0 | 0 | 0 | 111.3 | G490 I491 C492 L496 K497 F499 A502 L531 | G490-T494 WeakPolarHBondContact O-CB 2.93Å; G490-T494 PolarHBondContact O-N 3.07Å; G490-T494 PolarHBondContact O-OG1 3.47Å; I491-T494 PolarHBondContact O-N 3.36Å; C492-T494 VanDerWaalsContact C-N 3.31Å; C492-T494 PolarHBondContact O-N 2.93Å; T494-L496 VanDerWaalsContact C-N 3.28Å; T494-L496 PolarHBondContact O-N 3.35Å; T494-K497 PolarHBondContact O-N 2.92Å; T494-F499 HydrophobicContact CG2-CE1 4.4Å; T494-A502 WeakPolarHBondContact OG1-CB 3.45Å; T494-L531 HydrophobicContact CG2-CD2 3.89Å; T494-L531 HydrophobicContact CG2-CG 4.49Å |
| 495 | K | 86.1 | Confident | 90.5 | Very high | 133 Ų | 133 | 49.1 Ų | 49.1 | 58% | 0.578 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -65.3 | -29 | 175.9 | -67.2 | -66.2 | -176.5 | -175.5 | 0 | 113.1 | Y459 I491 C492 K497 | Y459-K495 HydrophobicContact CD1-CB 3.93Å; Y459-K495 HydrophobicContact CD1-CG 4.32Å; Y459-K495 HydrophobicContact CD2-CB 4.23Å; Y459-K495 HydrophobicContact CE1-CB 3.78Å; Y459-K495 HydrophobicContact CE1-CG 3.78Å; Y459-K495 HydrophobicContact CE2-CB 4.1Å; Y459-K495 HydrophobicContact CG-CB 4.15Å; I491-K495 WeakPolarHBondContact O-CG 3.01Å; I491-K495 PolarHBondContact O-N 2.77Å; C492-K495 PolarHBondContact O-N 3.27Å; K495-K497 VanDerWaalsContact C-N 3.28Å |
| 496 | L | 89 | Confident | 90.6 | Very high | 50 Ų | 50 | 49.2 Ų | 49.2 | 26% | 0.262 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 0.6 | 173.1 | -70.6 | 171.6 | 0 | 0 | 0 | 113.8 | Q460 C492 S493 T494 L498 | Q460-L496 HydrophobicContact CG-CD1 4.33Å; Q460-L496 HydrophobicContact CG-CD2 4.08Å; C492-L496 WeakPolarHBondContact O-CB 3.41Å; C492-L496 WeakPolarHBondContact O-CG 3.44Å; C492-L496 PolarHBondContact O-N 3Å; S493-L496 CarbonylContact O-C 3.07Å; S493-L496 PolarHBondContact O-N 3.37Å; T494-L496 VanDerWaalsContact C-N 3.28Å; T494-L496 PolarHBondContact O-N 3.35Å; L496-L498 HydrophobicContact CB-CD1 4.11Å; L496-L498 HydrophobicContact CB-CG 4.17Å; L496-L498 HydrophobicContact CD1-CD1 4.45Å; L496-L498 PolarHBondContact O-N 3.08Å |
| 497 | K | 86.4 | Confident | 90.5 | Very high | 164 Ų | 164 | 49.2 Ų | 49.2 | 71% | 0.713 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 27.2 | -174.8 | -55.5 | -173.3 | 174.9 | -168.7 | 0 | 114.3 | S493 T494 K495 F499 | S493-K497 PolarHBondContact O-N 3.28Å; T494-K497 PolarHBondContact O-N 2.92Å; K495-K497 VanDerWaalsContact C-N 3.28Å; K497-F499 HydrophobicContact CB-CE2 4.16Å; K497-F499 HydrophobicContact CB-CZ 4.16Å; K497-F499 HydrophobicContact CG-CZ 4.34Å; K497-F499 PolarHBondContact O-N 3.13Å |
| 498 | L | 89.9 | Confident | 90.5 | Very high | 73 Ų | 73 | 47.2 Ų | 47.2 | 38% | 0.382 | 24% | 0.238 | S | C | . | . | trans | -95.8 | 66.5 | 175.3 | -62.4 | 172.7 | 0 | 0 | 0 | 109.5 | R463 S493 L496 N500 E501 A502 | R463-L498 VanDerWaalsContact NH1-CD1 3.28Å; S493-L498 PolarHBondContact O-N 2.69Å; L496-L498 HydrophobicContact CB-CD1 4.11Å; L496-L498 HydrophobicContact CB-CG 4.17Å; L496-L498 HydrophobicContact CD1-CD1 4.45Å; L496-L498 PolarHBondContact O-N 3.08Å; L498-N500 PolarHBondContact O-N 3.11Å; L498-E501 HydrophobicContact CB-CB 4.44Å; L498-E501 WeakPolarHBondContact CD1-OE2 3.47Å; L498-E501 PolarHBondContact O-N 3.45Å; L498-A502 PolarHBondContact O-N 3.28Å | ||
| 499 | F | 89 | Confident | 90.6 | Very high | 42 Ų | 42 | 46.5 Ų | 46.5 | 18% | 0.184 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.2 | -36.6 | -168 | -57.5 | -63.7 | 0 | 0 | 0 | 114.1 | T494 K497 E501 A502 V503 E535 I536 | T494-F499 HydrophobicContact CG2-CE1 4.4Å; K497-F499 HydrophobicContact CB-CE2 4.16Å; K497-F499 HydrophobicContact CB-CZ 4.16Å; K497-F499 HydrophobicContact CG-CZ 4.34Å; K497-F499 PolarHBondContact O-N 3.13Å; F499-E501 PolarHBondContact O-N 2.92Å; F499-A502 WeakPolarHBondContact O-CB 3.42Å; F499-A502 PolarHBondContact O-N 3.02Å; F499-A502 VanDerWaalsContact O-N 3.16Å; F499-V503 WeakPolarHBondContact O-CG2 3.5Å; F499-V503 PolarHBondContact O-N 3.41Å; F499-E535 HydrophobicContact CD1-CB 3.83Å; F499-E535 HydrophobicContact CD1-CG 4.15Å; F499-E535 HydrophobicContact CD2-CB 3.71Å; F499-E535 HydrophobicContact CE1-CB 3.83Å; F499-E535 HydrophobicContact CE1-CG 3.69Å; F499-E535 HydrophobicContact CE2-CB 3.7Å; F499-E535 HydrophobicContact CE2-CG 4.07Å; F499-E535 HydrophobicContact CG-CB 3.76Å; F499-E535 HydrophobicContact CZ-CB 3.76Å; F499-E535 HydrophobicContact CZ-CG 3.63Å; F499-I536 HydrophobicContact CB-CD1 4.06Å; F499-I536 HydrophobicContact CB-CG1 3.74Å |
| 500 | N | 89.7 | Confident | 90.6 | Very high | 113 Ų | 113 | 47.4 Ų | 47.4 | 60% | 0.604 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -60.2 | -46 | 176.9 | -69.7 | -36.3 | 0 | 0 | 0 | 111.8 | L498 A502 V503 E504 I536 | L498-N500 PolarHBondContact O-N 3.11Å; N500-A502 VanDerWaalsContact C-N 3.32Å; N500-A502 PolarHBondContact O-N 2.99Å; N500-V503 PolarHBondContact O-N 3.35Å; N500-E504 PolarHBondContact O-N 3.44Å; N500-I536 WeakPolarHBondContact OD1-CD1 3.45Å |
| 501 | E | 90.5 | Very high | 90.6 | Very high | 63 Ų | 63 | 55.2 Ų | 55.2 | 29% | 0.294 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.9 | -35.4 | 176 | -63.6 | -175.3 | 157.4 | 0 | 0 | 111.5 | R463 L498 F499 V503 E504 F505 | R463-E501 IonicContact CZ-OE1 2.62Å; R463-E501 IonicContact CZ-OE2 3.93Å; R463-E501 IonicContact NH1-OE1 2.83Å; R463-E501 IonicContact NH1-OE2 2.71Å; R463-E501 PolarHBondContact NH1-OE2 2.86Å; R463-E501 VanDerWaalsContact NH2-CD 3.26Å; R463-E501 IonicContact NH2-OE1 3.24Å; R463-E501 PolarHBondContact NH2-OE1 3.46Å; R463-E501 IonicContact NH2-OE2 2.76Å; R463-E501 PolarHBondContact NH2-OE2 3.23Å; L498-E501 HydrophobicContact CB-CB 4.44Å; L498-E501 WeakPolarHBondContact CD1-OE2 3.47Å; L498-E501 PolarHBondContact O-N 3.45Å; F499-E501 PolarHBondContact O-N 2.92Å; E501-V503 VanDerWaalsContact C-N 3.34Å; E501-V503 PolarHBondContact O-N 2.88Å; E501-E504 PolarHBondContact O-N 2.98Å; E501-F505 HydrophobicContact CB-CE2 4.17Å; E501-F505 WeakPolarHBondContact O-CD2 3.41Å; E501-F505 PolarHBondContact O-N 3.25Å |
| 502 | A | 91.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.7 | -41.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | T494 L498 F499 N500 E504 F505 H506 P532 | T494-A502 WeakPolarHBondContact OG1-CB 3.45Å; L498-A502 PolarHBondContact O-N 3.28Å; F499-A502 WeakPolarHBondContact O-CB 3.42Å; F499-A502 PolarHBondContact O-N 3.02Å; F499-A502 VanDerWaalsContact O-N 3.16Å; N500-A502 VanDerWaalsContact C-N 3.32Å; N500-A502 PolarHBondContact O-N 2.99Å; A502-E504 VanDerWaalsContact C-N 3.34Å; A502-E504 PolarHBondContact O-N 3.3Å; A502-F505 PolarHBondContact O-N 3.43Å; A502-H506 PolarHBondContact O-CD2 3.22Å; A502-H506 VanDerWaalsContact O-CD2 3.24Å; A502-H506 PolarHBondContact O-N 3.35Å; A502-P532 HydrophobicContact CB-CB 4.02Å; A502-P532 HydrophobicContact CB-CG 3.85Å |
| 503 | V | 91.5 | Very high | 90.7 | Very high | 36 Ų | 36 | 53.1 Ų | 53.1 | 22% | 0.218 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62 | -40.6 | 173.8 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | F499 N500 E501 G507 L529 P532 L533 I536 | F499-V503 WeakPolarHBondContact O-CG2 3.5Å; F499-V503 PolarHBondContact O-N 3.41Å; N500-V503 PolarHBondContact O-N 3.35Å; E501-V503 VanDerWaalsContact C-N 3.34Å; E501-V503 PolarHBondContact O-N 2.88Å; V503-G507 WeakPolarHBondContact O-CA 3.37Å; V503-G507 PolarHBondContact O-N 3.38Å; V503-L529 HydrophobicContact CG1-CD2 4.34Å; V503-P532 HydrophobicContact CG2-CB 3.63Å; V503-L533 HydrophobicContact CG1-CD2 4.25Å; V503-L533 HydrophobicContact CG2-CD2 4.05Å; V503-L533 HydrophobicContact CG2-CG 4.26Å; V503-I536 HydrophobicContact CB-CD1 4.48Å; V503-I536 HydrophobicContact CG2-CD1 3.55Å |
| 504 | E | 92.3 | Very high | 90.5 | Very high | 135 Ų | 135 | 58.4 Ų | 58.4 | 63% | 0.631 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -62.9 | -43.8 | 177 | -69.4 | -177.8 | 171.8 | 0 | 0 | 112.4 | N500 E501 A502 A508 | N500-E504 PolarHBondContact O-N 3.44Å; E501-E504 PolarHBondContact O-N 2.98Å; A502-E504 VanDerWaalsContact C-N 3.34Å; A502-E504 PolarHBondContact O-N 3.3Å; E504-A508 WeakPolarHBondContact O-CB 3.33Å; E504-A508 PolarHBondContact O-N 3.21Å |
| 505 | F | 93.2 | Very high | 90.4 | Very high | 27 Ų | 27 | 64.4 Ų | 64.4 | 12% | 0.118 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -70.1 | -46.7 | -180 | -69 | -54.3 | 0 | 0 | 0 | 112.8 | H467 F486 L489 E501 A502 G507 A508 E509 | H467-F505 AromaticContact CE1-CE1 3.85Å; H467-F505 AromaticContact CE1-CZ 3.56Å; H467-F505 AromaticContact NE2-CZ 3.96Å; F486-F505 HydrophobicContact CD1-CD1 4.21Å; L489-F505 HydrophobicContact CB-CB 4.23Å; L489-F505 HydrophobicContact CB-CD1 3.93Å; L489-F505 HydrophobicContact CB-CD2 3.89Å; L489-F505 HydrophobicContact CB-CE1 4.28Å; L489-F505 HydrophobicContact CB-CE2 4.24Å; L489-F505 HydrophobicContact CB-CG 3.75Å; L489-F505 HydrophobicContact CB-CZ 4.43Å; L489-F505 HydrophobicContact CD1-CD1 4Å; L489-F505 HydrophobicContact CD1-CE1 3.86Å; L489-F505 HydrophobicContact CD1-CZ 4.4Å; E501-F505 HydrophobicContact CB-CE2 4.17Å; E501-F505 WeakPolarHBondContact O-CD2 3.41Å; E501-F505 PolarHBondContact O-N 3.25Å; A502-F505 PolarHBondContact O-N 3.43Å; F505-G507 VanDerWaalsContact C-N 3.29Å; F505-G507 PolarHBondContact O-N 2.61Å; F505-A508 WeakPolarHBondContact O-CB 3.46Å; F505-A508 PolarHBondContact O-N 3.01Å; F505-A508 VanDerWaalsContact O-N 3.13Å; F505-E509 PolarHBondContact O-N 2.87Å |
| 506 | H | 93 | Very high | 90.2 | Very high | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.009 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.4 | -30 | 175.7 | -68.6 | -57.9 | 0 | 0 | 0 | 112 | G490 A502 A508 E509 L510 S528 L529 | G490-H506 VanDerWaalsContact CA-NE2 3.31Å; G490-H506 WeakPolarHBondContact CA-NE2 3.5Å; A502-H506 PolarHBondContact O-CD2 3.22Å; A502-H506 VanDerWaalsContact O-CD2 3.24Å; A502-H506 PolarHBondContact O-N 3.35Å; H506-A508 VanDerWaalsContact C-N 3.33Å; H506-E509 IonicContact CE1-OE2 3.35Å; H506-E509 IonicContact ND1-OE2 3.2Å; H506-E509 PolarHBondContact ND1-OE2 3.38Å; H506-E509 WeakPolarHBondContact O-CB 3.33Å; H506-E509 PolarHBondContact O-N 3.42Å; H506-L510 WeakPolarHBondContact O-CB 3.45Å; H506-L510 PolarHBondContact O-N 3.46Å; H506-S528 VanDerWaalsContact CE1-CB 3.42Å; H506-S528 WeakPolarHBondContact CE1-CB 3.47Å; H506-S528 WeakPolarHBondContact ND1-CB 3.42Å; H506-L529 HydrophobicContact CB-CD2 3.48Å; H506-L529 VanDerWaalsContact CB-CD2 3.48Å; H506-L529 HydrophobicContact CB-CG 3.66Å |
| 507 | G | 91.9 | Very high | 89.7 | Confident | 20 Ų | 20 | 60.8 Ų | 60.8 | 21% | 0.206 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68.5 | -30.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | V503 F505 R511 | V503-G507 WeakPolarHBondContact O-CA 3.37Å; V503-G507 PolarHBondContact O-N 3.38Å; F505-G507 VanDerWaalsContact C-N 3.29Å; F505-G507 PolarHBondContact O-N 2.61Å; G507-R511 WeakPolarHBondContact O-CG 3.44Å; G507-R511 PolarHBondContact O-N 3.49Å; G507-R511 PolarHBondContact O-NE 2.89Å |
| 508 | A | 91.9 | Very high | 89.4 | Confident | 13 Ų | 13 | 55 Ų | 55 | 11% | 0.107 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -71.8 | -42.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F486 E504 F505 H506 L510 R511 E512 | F486-A508 HydrophobicContact CD1-CB 3.95Å; F486-A508 HydrophobicContact CD2-CB 4.05Å; F486-A508 HydrophobicContact CE1-CB 3.92Å; F486-A508 HydrophobicContact CE2-CB 3.99Å; F486-A508 HydrophobicContact CG-CB 4.03Å; F486-A508 HydrophobicContact CZ-CB 3.94Å; E504-A508 WeakPolarHBondContact O-CB 3.33Å; E504-A508 PolarHBondContact O-N 3.21Å; F505-A508 WeakPolarHBondContact O-CB 3.46Å; F505-A508 PolarHBondContact O-N 3.01Å; F505-A508 VanDerWaalsContact O-N 3.13Å; H506-A508 VanDerWaalsContact C-N 3.33Å; A508-L510 PolarHBondContact O-N 2.95Å; A508-R511 PolarHBondContact O-N 3.43Å; A508-E512 PolarHBondContact O-N 3.4Å |
| 509 | E | 93.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -53.6 | -50.8 | 172.4 | -173.6 | -169 | 169.8 | 0 | 0 | 111.2 | I483 F486 R487 F505 H506 R511 E512 A513 A525 | I483-E509 HydrophobicContact CG2-CG 3.97Å; F486-E509 HydrophobicContact CB-CB 3.89Å; R487-E509 WeakPolarHBondContact CA-OE2 3.31Å; R487-E509 HydrophobicContact CB-CG 4.41Å; R487-E509 WeakPolarHBondContact CB-OE2 3.48Å; R487-E509 IonicContact CZ-OE1 2.72Å; R487-E509 VanDerWaalsContact CZ-OE1 3.22Å; R487-E509 IonicContact NE-OE1 2.86Å; R487-E509 PolarHBondContact NE-OE1 3.19Å; R487-E509 IonicContact NH2-OE1 3.88Å; R487-E509 PolarHBondContact NH2-OE1 3.38Å; F505-E509 PolarHBondContact O-N 2.87Å; H506-E509 IonicContact CE1-OE2 3.35Å; H506-E509 IonicContact ND1-OE2 3.2Å; H506-E509 PolarHBondContact ND1-OE2 3.38Å; H506-E509 WeakPolarHBondContact O-CB 3.33Å; H506-E509 PolarHBondContact O-N 3.42Å; E509-R511 VanDerWaalsContact C-N 3.33Å; E509-R511 PolarHBondContact O-N 3.45Å; E509-E512 PolarHBondContact O-N 2.81Å; E509-A513 VanDerWaalsContact O-CB 3.31Å; E509-A513 WeakPolarHBondContact O-CB 3.42Å; E509-A513 PolarHBondContact O-N 3.28Å; E509-A525 HydrophobicContact CB-CB 4.26Å; E509-A525 HydrophobicContact CG-CB 3.84Å |
| 510 | L | 92 | Very high | 88.6 | Confident | 19 Ų | 19 | 54.7 Ų | 54.7 | 10% | 0.099 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.6 | -39.4 | 179.4 | -178.6 | 61.2 | 0 | 0 | 0 | 112.7 | H506 A508 K514 E522 A525 R526 L529 | H506-L510 WeakPolarHBondContact O-CB 3.45Å; H506-L510 PolarHBondContact O-N 3.46Å; A508-L510 PolarHBondContact O-N 2.95Å; L510-K514 HydrophobicContact CD1-CD 4.48Å; L510-K514 HydrophobicContact CG-CD 4.49Å; L510-K514 WeakPolarHBondContact O-CB 3.47Å; L510-K514 WeakPolarHBondContact O-CG 3.3Å; L510-K514 PolarHBondContact O-N 3.03Å; L510-K514 VanDerWaalsContact O-N 3.11Å; L510-E522 HydrophobicContact CD1-CG 3.78Å; L510-A525 HydrophobicContact CB-CB 3.96Å; L510-A525 HydrophobicContact CD1-CB 4.16Å; L510-R526 HydrophobicContact CD1-CG 3.9Å; L510-L529 HydrophobicContact CD2-CD1 3.92Å |
| 511 | R | 92.3 | Very high | 88.3 | Confident | 164 Ų | 164 | 49.8 Ų | 49.8 | 62% | 0.619 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -67.3 | -40.4 | 178.4 | -78.5 | -177.4 | -70.6 | -179.8 | -1.1 | 112.3 | G507 A508 E509 K515 | G507-R511 WeakPolarHBondContact O-CG 3.44Å; G507-R511 PolarHBondContact O-N 3.49Å; G507-R511 PolarHBondContact O-NE 2.89Å; A508-R511 PolarHBondContact O-N 3.43Å; E509-R511 VanDerWaalsContact C-N 3.33Å; E509-R511 PolarHBondContact O-N 3.45Å; R511-K515 WeakPolarHBondContact O-CG 3.41Å; R511-K515 PolarHBondContact O-N 3.47Å |
| 512 | E | 90.4 | Very high | 88.2 | Confident | 37 Ų | 37 | 47.8 Ų | 47.8 | 17% | 0.173 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -73.7 | -39.5 | 177.1 | -65.4 | -53.1 | 137.8 | 0 | 0 | 112 | L482 I483 F486 A508 E509 K514 K515 C516 | L482-E512 HydrophobicContact CD2-CG 3.91Å; L482-E512 HydrophobicContact CG-CG 4.47Å; I483-E512 HydrophobicContact CG1-CB 3.87Å; F486-E512 HydrophobicContact CD2-CG 4.39Å; F486-E512 HydrophobicContact CE2-CG 4.02Å; A508-E512 PolarHBondContact O-N 3.4Å; E509-E512 PolarHBondContact O-N 2.81Å; E512-K514 VanDerWaalsContact C-N 3.32Å; E512-K514 PolarHBondContact O-N 3.29Å; E512-K515 WeakPolarHBondContact O-CB 3.38Å; E512-K515 PolarHBondContact O-N 3Å; E512-K515 VanDerWaalsContact O-N 3.1Å; E512-K515 IonicContact OE1-NZ 2.69Å; E512-K515 PolarHBondContact OE1-NZ 3.07Å; E512-K515 WeakPolarHBondContact OE2-CD 3.17Å; E512-K515 IonicContact OE2-NZ 3.44Å; E512-C516 PolarHBondContact O-N 2.98Å; E512-C516 PolarHBondContact O-SG 2.86Å |
| 513 | A | 89.5 | Confident | 88 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -54.8 | -46.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I483 E509 K515 C516 G517 S518 S521 E522 | I483-A513 HydrophobicContact CD1-CB 4.45Å; E509-A513 VanDerWaalsContact O-CB 3.31Å; E509-A513 WeakPolarHBondContact O-CB 3.42Å; E509-A513 PolarHBondContact O-N 3.28Å; A513-K515 PolarHBondContact O-N 3.21Å; A513-C516 PolarHBondContact O-N 3.19Å; A513-G517 PolarHBondContact O-N 3.28Å; A513-G517 VanDerWaalsContact O-N 3.15Å; A513-S518 PolarHBondContact O-N 3.41Å; A513-S521 WeakPolarHBondContact CB-OG 3.49Å; A513-E522 HydrophobicContact CB-CB 4.28Å |
| 514 | K | 88 | Confident | 87.8 | Confident | 111 Ų | 111 | 48.4 Ų | 48.4 | 48% | 0.483 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.5 | -36.2 | 175.9 | -77.3 | 178.8 | 173.6 | 179.7 | 0 | 113.2 | L510 E512 C516 G517 E522 | L510-K514 HydrophobicContact CD1-CD 4.48Å; L510-K514 HydrophobicContact CG-CD 4.49Å; L510-K514 WeakPolarHBondContact O-CB 3.47Å; L510-K514 WeakPolarHBondContact O-CG 3.3Å; L510-K514 PolarHBondContact O-N 3.03Å; L510-K514 VanDerWaalsContact O-N 3.11Å; E512-K514 VanDerWaalsContact C-N 3.32Å; E512-K514 PolarHBondContact O-N 3.29Å; K514-C516 VanDerWaalsContact C-N 3.33Å; K514-G517 PolarHBondContact O-N 3.16Å; K514-E522 WeakPolarHBondContact CE-OE1 3.49Å; K514-E522 IonicContact NZ-OE1 3.46Å |
| 515 | K | 86.5 | Confident | 87.6 | Confident | 150 Ų | 150 | 42 Ų | 42 | 65% | 0.652 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -67.8 | -34.9 | 175.4 | -72.3 | 171.4 | -176.2 | 175 | 0 | 112.2 | R511 E512 A513 G517 | R511-K515 WeakPolarHBondContact O-CG 3.41Å; R511-K515 PolarHBondContact O-N 3.47Å; E512-K515 WeakPolarHBondContact O-CB 3.38Å; E512-K515 PolarHBondContact O-N 3Å; E512-K515 VanDerWaalsContact O-N 3.1Å; E512-K515 IonicContact OE1-NZ 2.69Å; E512-K515 PolarHBondContact OE1-NZ 3.07Å; E512-K515 WeakPolarHBondContact OE2-CD 3.17Å; E512-K515 IonicContact OE2-NZ 3.44Å; A513-K515 PolarHBondContact O-N 3.21Å; K515-G517 VanDerWaalsContact C-N 3.29Å |
| 516 | C | 81.6 | Confident | 87.5 | Confident | 51 Ų | 51 | 42 Ų | 42 | 35% | 0.345 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -77.5 | -15.4 | 178.7 | -60.5 | 0 | 0 | 0 | 0 | 113.2 | S479 I483 E512 A513 K514 S518 | S479-C516 WeakPolarHBondContact CB-SG 3.37Å; I483-C516 HydrophobicContact CD1-CB 4.44Å; E512-C516 PolarHBondContact O-N 2.98Å; E512-C516 PolarHBondContact O-SG 2.86Å; A513-C516 PolarHBondContact O-N 3.19Å; K514-C516 VanDerWaalsContact C-N 3.33Å; C516-S518 PolarHBondContact O-N 2.93Å |
| 517 | G | 78.7 | Confident | 87.3 | Confident | 57 Ų | 57 | 42.5 Ų | 42.5 | 59% | 0.588 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 28.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A513 K514 K515 | A513-G517 PolarHBondContact O-N 3.28Å; A513-G517 VanDerWaalsContact O-N 3.15Å; K514-G517 PolarHBondContact O-N 3.16Å; K515-G517 VanDerWaalsContact C-N 3.29Å |
| 518 | S | 79.3 | Confident | 87.1 | Confident | 42 Ų | 42 | 43 Ų | 43 | 29% | 0.294 | 23% | 0.231 | S | C | . | . | trans | -98.1 | 92.1 | -179.4 | 174.1 | 0 | 0 | 0 | 0 | 110.2 | A513 C516 S520 S521 E522 | A513-S518 PolarHBondContact O-N 3.41Å; C516-S518 PolarHBondContact O-N 2.93Å; S518-S520 PolarHBondContact O-N 3.37Å; S518-S520 VanDerWaalsContact O-N 3.16Å; S518-S521 WeakPolarHBondContact CB-OG 3.33Å; S518-S521 PolarHBondContact O-N 3.39Å; S518-S521 PolarHBondContact O-OG 3.12Å; S518-S521 PolarHBondContact OG-OG 3.34Å; S518-E522 PolarHBondContact O-N 3.36Å | ||
| 519 | D | 80.8 | Confident | 87 | Confident | 72 Ų | 72 | 42.9 Ų | 42.9 | 39% | 0.385 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -57.3 | -31.7 | -178.1 | -60.1 | -19.4 | 0 | 0 | 0 | 112.6 | E522 C523 F556 | D519-E522 PolarHBondContact O-N 3.33Å; D519-C523 VanDerWaalsContact O-CB 3.29Å; D519-C523 WeakPolarHBondContact O-CB 3.41Å; D519-C523 PolarHBondContact O-N 3.1Å; D519-F556 HydrophobicContact CB-CD2 4.35Å; D519-F556 HydrophobicContact CB-CE2 3.34Å; D519-F556 HydrophobicContact CB-CZ 3.53Å; D519-F556 VanDerWaalsContact OD2-CZ 3.32Å; D519-F556 WeakPolarHBondContact OD2-CZ 3.44Å |
| 520 | S | 82.4 | Confident | 86.8 | Confident | 37 Ų | 37 | 43.1 Ų | 43.1 | 26% | 0.259 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.2 | -47.1 | 174.2 | -179.7 | 0 | 0 | 0 | 0 | 112.2 | S518 E522 C523 L524 Y558 | S518-S520 PolarHBondContact O-N 3.37Å; S518-S520 VanDerWaalsContact O-N 3.16Å; S520-E522 VanDerWaalsContact C-N 3.35Å; S520-C523 PolarHBondContact O-N 2.72Å; S520-L524 WeakPolarHBondContact O-CG 3.35Å; S520-L524 PolarHBondContact O-N 3.43Å; S520-Y558 VanDerWaalsContact CB-OH 3.3Å; S520-Y558 WeakPolarHBondContact CB-OH 2.99Å; S520-Y558 PolarHBondContact OG-OH 2.91Å |
| 521 | S | 83.5 | Confident | 86.5 | Confident | 10 Ų | 10 | 46.1 Ų | 46.1 | 7% | 0.07 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -70.4 | -33.5 | 178.3 | 65.9 | 0 | 0 | 0 | 0 | 112.3 | A513 S518 A525 | A513-S521 WeakPolarHBondContact CB-OG 3.49Å; S518-S521 WeakPolarHBondContact CB-OG 3.33Å; S518-S521 PolarHBondContact O-N 3.39Å; S518-S521 PolarHBondContact O-OG 3.12Å; S518-S521 PolarHBondContact OG-OG 3.34Å; S521-A525 WeakPolarHBondContact O-CB 3.17Å; S521-A525 PolarHBondContact O-N 3.28Å |
| 522 | E | 87.6 | Confident | 86.4 | Confident | 21 Ų | 21 | 38.4 Ų | 38.4 | 10% | 0.098 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.7 | -46.9 | 174.2 | 177.1 | 164.9 | -170.9 | 0 | 0 | 111.4 | L510 A513 K514 S518 D519 S520 L524 A525 R526 L552 | L510-E522 HydrophobicContact CD1-CG 3.78Å; A513-E522 HydrophobicContact CB-CB 4.28Å; K514-E522 WeakPolarHBondContact CE-OE1 3.49Å; K514-E522 IonicContact NZ-OE1 3.46Å; S518-E522 PolarHBondContact O-N 3.36Å; D519-E522 PolarHBondContact O-N 3.33Å; S520-E522 VanDerWaalsContact C-N 3.35Å; E522-L524 VanDerWaalsContact C-N 3.34Å; E522-L524 PolarHBondContact O-N 2.69Å; E522-A525 PolarHBondContact O-N 2.94Å; E522-R526 WeakPolarHBondContact O-CG 3.08Å; E522-R526 PolarHBondContact O-N 3.46Å; E522-R526 IonicContact OE1-CZ 2.78Å; E522-R526 IonicContact OE1-NE 2.81Å; E522-R526 PolarHBondContact OE1-NE 3.01Å; E522-R526 IonicContact OE1-NH2 3.54Å; E522-R526 PolarHBondContact OE1-NH2 3.08Å; E522-L552 HydrophobicContact CB-CD1 4.39Å; E522-L552 HydrophobicContact CG-CD1 3.78Å |
| 523 | C | 88.2 | Confident | 86.3 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.007 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.8 | -46.6 | 176.8 | -175.7 | 0 | 0 | 0 | 0 | 111.8 | D519 S520 R526 A527 L552 | D519-C523 VanDerWaalsContact O-CB 3.29Å; D519-C523 WeakPolarHBondContact O-CB 3.41Å; D519-C523 PolarHBondContact O-N 3.1Å; S520-C523 PolarHBondContact O-N 2.72Å; C523-R526 PolarHBondContact O-N 3.11Å; C523-A527 PolarHBondContact O-N 2.74Å; C523-A527 VanDerWaalsContact O-N 3.09Å; C523-L552 HydrophobicContact CB-CB 3.9Å; C523-L552 HydrophobicContact CB-CD1 4.19Å |
| 524 | L | 86.6 | Confident | 86.1 | Confident | 48 Ų | 48 | 39.6 Ų | 39.6 | 25% | 0.251 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.9 | -37.1 | 178 | -70.9 | 169.8 | 0 | 0 | 0 | 113.2 | S520 E522 S528 V561 | S520-L524 WeakPolarHBondContact O-CG 3.35Å; S520-L524 PolarHBondContact O-N 3.43Å; E522-L524 VanDerWaalsContact C-N 3.34Å; E522-L524 PolarHBondContact O-N 2.69Å; L524-S528 WeakPolarHBondContact O-CB 3.43Å; L524-S528 PolarHBondContact O-N 3.01Å; L524-S528 PolarHBondContact O-OG 3.45Å; L524-V561 HydrophobicContact CD2-CG2 3.58Å |
| 525 | A | 89.2 | Confident | 85.9 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.9 | -42.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E509 L510 S521 E522 S528 L529 | E509-A525 HydrophobicContact CB-CB 4.26Å; E509-A525 HydrophobicContact CG-CB 3.84Å; L510-A525 HydrophobicContact CB-CB 3.96Å; L510-A525 HydrophobicContact CD1-CB 4.16Å; S521-A525 WeakPolarHBondContact O-CB 3.17Å; S521-A525 PolarHBondContact O-N 3.28Å; E522-A525 PolarHBondContact O-N 2.94Å; A525-S528 PolarHBondContact O-N 3.18Å; A525-L529 WeakPolarHBondContact O-CG 3.48Å; A525-L529 PolarHBondContact O-N 3.47Å; A525-L529 VanDerWaalsContact O-N 3.09Å |
| 526 | R | 91.2 | Very high | 86 | Confident | 28 Ų | 28 | 35 Ų | 35 | 11% | 0.106 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62 | -46.8 | 175.2 | -68.8 | -174.3 | -177.6 | 172.3 | -5.6 | 111.8 | L510 E522 C523 S528 L529 C530 E545 L548 | L510-R526 HydrophobicContact CD1-CG 3.9Å; E522-R526 WeakPolarHBondContact O-CG 3.08Å; E522-R526 PolarHBondContact O-N 3.46Å; E522-R526 IonicContact OE1-CZ 2.78Å; E522-R526 IonicContact OE1-NE 2.81Å; E522-R526 PolarHBondContact OE1-NE 3.01Å; E522-R526 IonicContact OE1-NH2 3.54Å; E522-R526 PolarHBondContact OE1-NH2 3.08Å; C523-R526 PolarHBondContact O-N 3.11Å; R526-S528 VanDerWaalsContact C-N 3.31Å; R526-S528 PolarHBondContact O-N 2.91Å; R526-L529 PolarHBondContact O-N 3.38Å; R526-C530 PolarHBondContact O-SG 3.47Å; R526-E545 WeakPolarHBondContact CG-OE2 3.46Å; R526-L548 PolarHBondContact NH1-O 3.46Å |
| 527 | A | 87.2 | Confident | 85.9 | Confident | 12 Ų | 12 | 35.1 Ų | 35.1 | 10% | 0.099 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.6 | -40.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | C523 L529 C530 V561 | C523-A527 PolarHBondContact O-N 2.74Å; C523-A527 VanDerWaalsContact O-N 3.09Å; A527-L529 VanDerWaalsContact C-N 3.33Å; A527-L529 PolarHBondContact O-N 3.29Å; A527-C530 WeakPolarHBondContact O-CB 3.46Å; A527-C530 PolarHBondContact O-N 3.3Å; A527-V561 HydrophobicContact CB-CG1 3.64Å |
| 528 | S | 88.3 | Confident | 86.3 | Confident | 30 Ų | 30 | 36.8 Ų | 36.8 | 21% | 0.21 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -70.6 | -25.6 | 179.6 | -56.2 | 0 | 0 | 0 | 0 | 113.8 | H506 L524 A525 R526 C530 P532 | H506-S528 VanDerWaalsContact CE1-CB 3.42Å; H506-S528 WeakPolarHBondContact CE1-CB 3.47Å; H506-S528 WeakPolarHBondContact ND1-CB 3.42Å; L524-S528 WeakPolarHBondContact O-CB 3.43Å; L524-S528 PolarHBondContact O-N 3.01Å; L524-S528 PolarHBondContact O-OG 3.45Å; A525-S528 PolarHBondContact O-N 3.18Å; R526-S528 VanDerWaalsContact C-N 3.31Å; R526-S528 PolarHBondContact O-N 2.91Å; S528-C530 VanDerWaalsContact C-N 3.31Å; S528-P532 VanDerWaalsContact O-CD 3.23Å; S528-P532 WeakPolarHBondContact O-CD 3.34Å |
| 529 | L | 90.8 | Very high | 86.5 | Confident | 10 Ų | 10 | 37.5 Ų | 37.5 | 5% | 0.052 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -70 | -26 | 176.1 | -82 | 166.3 | 0 | 0 | 0 | 113.5 | V503 H506 L510 A525 R526 A527 L531 P532 L533 | V503-L529 HydrophobicContact CG1-CD2 4.34Å; H506-L529 HydrophobicContact CB-CD2 3.48Å; H506-L529 VanDerWaalsContact CB-CD2 3.48Å; H506-L529 HydrophobicContact CB-CG 3.66Å; L510-L529 HydrophobicContact CD2-CD1 3.92Å; A525-L529 WeakPolarHBondContact O-CG 3.48Å; A525-L529 PolarHBondContact O-N 3.47Å; A525-L529 VanDerWaalsContact O-N 3.09Å; R526-L529 PolarHBondContact O-N 3.38Å; A527-L529 VanDerWaalsContact C-N 3.33Å; A527-L529 PolarHBondContact O-N 3.29Å; L529-L531 PolarHBondContact O-N 2.92Å; L529-P532 WeakPolarHBondContact O-CD 3.3Å; L529-L533 HydrophobicContact CB-CD1 4.15Å; L529-L533 WeakPolarHBondContact O-CB 3.45Å; L529-L533 VanDerWaalsContact O-CG 3.26Å; L529-L533 WeakPolarHBondContact O-CG 3.38Å; L529-L533 PolarHBondContact O-N 3.2Å; L529-L533 VanDerWaalsContact O-N 3.13Å |
| 530 | C | 88.9 | Confident | 86.6 | Confident | 6 Ų | 6 | 35.7 Ų | 35.7 | 4% | 0.041 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.4 | -51.3 | -170.7 | -69.7 | 0 | 0 | 0 | 0 | 113.1 | R526 A527 S528 L533 F534 C568 | R526-C530 PolarHBondContact O-SG 3.47Å; A527-C530 WeakPolarHBondContact O-CB 3.46Å; A527-C530 PolarHBondContact O-N 3.3Å; S528-C530 VanDerWaalsContact C-N 3.31Å; C530-L533 PolarHBondContact O-N 2.72Å; C530-F534 WeakPolarHBondContact O-CB 3.5Å; C530-F534 PolarHBondContact O-N 3.1Å; C530-C568 HydrophobicContact CB-CB 4.09Å |
| 531 | L | 86.3 | Confident | 86.9 | Confident | 82 Ų | 82 | 38.4 Ų | 38.4 | 43% | 0.429 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -66 | -49.1 | -176.8 | 175 | 68 | 0 | 0 | 0 | 112.9 | T494 L529 L533 F534 E535 | T494-L531 HydrophobicContact CG2-CD2 3.89Å; T494-L531 HydrophobicContact CG2-CG 4.49Å; L529-L531 PolarHBondContact O-N 2.92Å; L531-L533 VanDerWaalsContact C-N 3.32Å; L531-L533 PolarHBondContact O-N 3.41Å; L531-F534 PolarHBondContact O-N 3.05Å; L531-E535 HydrophobicContact CD1-CG 4.27Å; L531-E535 WeakPolarHBondContact O-CG 3.48Å; L531-E535 PolarHBondContact O-N 3.29Å; L531-E535 VanDerWaalsContact O-N 3.08Å |
| 532 | P | 88.8 | Confident | 87.1 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.2 | -39 | 174 | -27.3 | 35.9 | 0 | 0 | 0 | 114.1 | A502 V503 S528 L529 I536 | A502-P532 HydrophobicContact CB-CB 4.02Å; A502-P532 HydrophobicContact CB-CG 3.85Å; V503-P532 HydrophobicContact CG2-CB 3.63Å; S528-P532 VanDerWaalsContact O-CD 3.23Å; S528-P532 WeakPolarHBondContact O-CD 3.34Å; L529-P532 WeakPolarHBondContact O-CD 3.3Å; P532-I536 WeakPolarHBondContact O-CD1 3.4Å; P532-I536 VanDerWaalsContact O-CG1 3.25Å; P532-I536 WeakPolarHBondContact O-CG1 3.46Å; P532-I536 PolarHBondContact O-N 3.5Å |
| 533 | L | 89.1 | Confident | 87.1 | Confident | 11 Ų | 11 | 37 Ų | 37 | 6% | 0.058 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.9 | -39.4 | 177.1 | -73.9 | 171 | 0 | 0 | 0 | 112 | V503 L529 C530 L531 G537 K538 E541 A542 E545 | V503-L533 HydrophobicContact CG1-CD2 4.25Å; V503-L533 HydrophobicContact CG2-CD2 4.05Å; V503-L533 HydrophobicContact CG2-CG 4.26Å; L529-L533 HydrophobicContact CB-CD1 4.15Å; L529-L533 WeakPolarHBondContact O-CB 3.45Å; L529-L533 VanDerWaalsContact O-CG 3.26Å; L529-L533 WeakPolarHBondContact O-CG 3.38Å; L529-L533 PolarHBondContact O-N 3.2Å; L529-L533 VanDerWaalsContact O-N 3.13Å; C530-L533 PolarHBondContact O-N 2.72Å; L531-L533 VanDerWaalsContact C-N 3.32Å; L531-L533 PolarHBondContact O-N 3.41Å; L533-G537 PolarHBondContact O-N 3.1Å; L533-K538 HydrophobicContact CD2-CB 4.4Å; L533-K538 HydrophobicContact CD2-CD 4.12Å; L533-K538 PolarHBondContact O-N 3.46Å; L533-E541 HydrophobicContact CD1-CB 4.36Å; L533-A542 HydrophobicContact CB-CB 3.81Å; L533-E545 HydrophobicContact CD1-CG 4.12Å |
| 534 | F | 85 | Confident | 87.2 | Confident | 52 Ų | 52 | 41.4 Ų | 41.4 | 23% | 0.228 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.5 | -47.6 | 176.5 | -171.1 | -91.7 | 0 | 0 | 0 | 111.7 | C530 L531 I536 G537 I539 A542 E571 | C530-F534 WeakPolarHBondContact O-CB 3.5Å; C530-F534 PolarHBondContact O-N 3.1Å; L531-F534 PolarHBondContact O-N 3.05Å; F534-I536 VanDerWaalsContact C-N 3.32Å; F534-I536 PolarHBondContact O-N 3.16Å; F534-G537 WeakPolarHBondContact O-CA 3.38Å; F534-G537 PolarHBondContact O-N 2.76Å; F534-I539 HydrophobicContact CD2-CG1 4.29Å; F534-I539 HydrophobicContact CD2-CG2 4.04Å; F534-I539 HydrophobicContact CE2-CG1 4.32Å; F534-I539 HydrophobicContact CE2-CG2 3.88Å; F534-A542 HydrophobicContact CB-CB 4.42Å; F534-E571 HydrophobicContact CE2-CB 3.87Å; F534-E571 HydrophobicContact CZ-CB 3.97Å |
| 535 | E | 84.9 | Confident | 87.4 | Confident | 105 Ų | 105 | 41.3 Ų | 41.3 | 49% | 0.491 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -67.1 | -27.8 | -179.1 | -70.6 | -74.7 | 179.5 | 0 | 0 | 113.8 | F499 L531 G537 | F499-E535 HydrophobicContact CD1-CB 3.83Å; F499-E535 HydrophobicContact CD1-CG 4.15Å; F499-E535 HydrophobicContact CD2-CB 3.71Å; F499-E535 HydrophobicContact CE1-CB 3.83Å; F499-E535 HydrophobicContact CE1-CG 3.69Å; F499-E535 HydrophobicContact CE2-CB 3.7Å; F499-E535 HydrophobicContact CE2-CG 4.07Å; F499-E535 HydrophobicContact CG-CB 3.76Å; F499-E535 HydrophobicContact CZ-CB 3.76Å; F499-E535 HydrophobicContact CZ-CG 3.63Å; L531-E535 HydrophobicContact CD1-CG 4.27Å; L531-E535 WeakPolarHBondContact O-CG 3.48Å; L531-E535 PolarHBondContact O-N 3.29Å; L531-E535 VanDerWaalsContact O-N 3.08Å; E535-G537 PolarHBondContact O-N 2.92Å |
| 536 | I | 87.3 | Confident | 87.4 | Confident | 60 Ų | 60 | 41.3 Ų | 41.3 | 31% | 0.308 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -15.3 | 171.9 | -66.8 | 164 | 0 | 0 | 0 | 111.5 | F499 N500 V503 P532 F534 K538 | F499-I536 HydrophobicContact CB-CD1 4.06Å; F499-I536 HydrophobicContact CB-CG1 3.74Å; N500-I536 WeakPolarHBondContact OD1-CD1 3.45Å; V503-I536 HydrophobicContact CB-CD1 4.48Å; V503-I536 HydrophobicContact CG2-CD1 3.55Å; P532-I536 WeakPolarHBondContact O-CD1 3.4Å; P532-I536 VanDerWaalsContact O-CG1 3.25Å; P532-I536 WeakPolarHBondContact O-CG1 3.46Å; P532-I536 PolarHBondContact O-N 3.5Å; F534-I536 VanDerWaalsContact C-N 3.32Å; F534-I536 PolarHBondContact O-N 3.16Å; I536-K538 HydrophobicContact CG2-CD 4.22Å; I536-K538 HydrophobicContact CG2-CG 4.32Å |
| 537 | G | 80.8 | Confident | 87.3 | Confident | 52 Ų | 52 | 44.6 Ų | 44.6 | 54% | 0.536 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.8 | 8.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L533 F534 E535 I539 | L533-G537 PolarHBondContact O-N 3.1Å; F534-G537 WeakPolarHBondContact O-CA 3.38Å; F534-G537 PolarHBondContact O-N 2.76Å; E535-G537 PolarHBondContact O-N 2.92Å; G537-I539 PolarHBondContact O-N 3.35Å; G537-I539 VanDerWaalsContact O-N 3.08Å |
| 538 | K | 86.2 | Confident | 87.4 | Confident | 93 Ų | 93 | 46.8 Ų | 46.8 | 40% | 0.404 | 25% | 0.254 | S | S | . | . | trans | -86 | 55.5 | 175.3 | -72.9 | 171.8 | 153.1 | -118.8 | 0 | 111.2 | L533 I536 G540 E541 A542 | L533-K538 HydrophobicContact CD2-CB 4.4Å; L533-K538 HydrophobicContact CD2-CD 4.12Å; L533-K538 PolarHBondContact O-N 3.46Å; I536-K538 HydrophobicContact CG2-CD 4.22Å; I536-K538 HydrophobicContact CG2-CG 4.32Å; K538-G540 VanDerWaalsContact C-N 3.27Å; K538-G540 PolarHBondContact O-N 3.29Å; K538-E541 HydrophobicContact CB-CB 4.36Å; K538-E541 IonicContact NZ-OE1 3.79Å; K538-E541 PolarHBondContact NZ-OE1 3.34Å; K538-E541 IonicContact NZ-OE2 2.75Å; K538-E541 PolarHBondContact NZ-OE2 3.17Å; K538-E541 PolarHBondContact O-N 3.08Å; K538-E541 VanDerWaalsContact O-N 3.12Å; K538-A542 PolarHBondContact O-N 3.27Å; K538-A542 VanDerWaalsContact O-N 3.14Å | ||
| 539 | I | 83.1 | Confident | 87.5 | Confident | 56 Ų | 56 | 45.4 Ų | 45.4 | 29% | 0.287 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.2 | -34.5 | -168.6 | -53.6 | 164.4 | 0 | 0 | 0 | 112 | F534 G537 A543 F572 A575 | F534-I539 HydrophobicContact CD2-CG1 4.29Å; F534-I539 HydrophobicContact CD2-CG2 4.04Å; F534-I539 HydrophobicContact CE2-CG1 4.32Å; F534-I539 HydrophobicContact CE2-CG2 3.88Å; G537-I539 PolarHBondContact O-N 3.35Å; G537-I539 VanDerWaalsContact O-N 3.08Å; I539-A543 PolarHBondContact O-N 3.01Å; I539-F572 HydrophobicContact CG2-CB 4.28Å; I539-F572 HydrophobicContact CG2-CD2 3.46Å; I539-F572 VanDerWaalsContact CG2-CD2 3.46Å; I539-F572 HydrophobicContact CG2-CE2 4.28Å; I539-F572 HydrophobicContact CG2-CG 4.31Å; I539-F572 WeakPolarHBondContact O-CD2 3.39Å; I539-A575 HydrophobicContact CD1-CB 4.03Å; I539-A575 HydrophobicContact CG2-CB 4.06Å |
| 540 | G | 83 | Confident | 87.3 | Confident | 35 Ų | 35 | 46.3 Ų | 46.3 | 36% | 0.361 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -71.4 | -37 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | K538 A543 N544 | K538-G540 VanDerWaalsContact C-N 3.27Å; K538-G540 PolarHBondContact O-N 3.29Å; G540-A543 PolarHBondContact O-N 3.29Å; G540-N544 PolarHBondContact O-N 2.94Å |
| 541 | E | 88 | Confident | 87.2 | Confident | 93 Ų | 93 | 52.3 Ų | 52.3 | 44% | 0.435 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -68 | -40.2 | 174.9 | -68.5 | 174.6 | -149.8 | 0 | 0 | 110.2 | L533 K538 A543 N544 E545 | L533-E541 HydrophobicContact CD1-CB 4.36Å; K538-E541 HydrophobicContact CB-CB 4.36Å; K538-E541 IonicContact NZ-OE1 3.79Å; K538-E541 PolarHBondContact NZ-OE1 3.34Å; K538-E541 IonicContact NZ-OE2 2.75Å; K538-E541 PolarHBondContact NZ-OE2 3.17Å; K538-E541 PolarHBondContact O-N 3.08Å; K538-E541 VanDerWaalsContact O-N 3.12Å; E541-A543 VanDerWaalsContact C-N 3.34Å; E541-A543 PolarHBondContact O-N 2.97Å; E541-N544 PolarHBondContact O-N 3.42Å; E541-E545 WeakPolarHBondContact O-CG 3.49Å; E541-E545 PolarHBondContact O-N 3.22Å |
| 542 | A | 88.4 | Confident | 87.1 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.7 | -43.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L533 F534 K538 E545 A546 | L533-A542 HydrophobicContact CB-CB 3.81Å; F534-A542 HydrophobicContact CB-CB 4.42Å; K538-A542 PolarHBondContact O-N 3.27Å; K538-A542 VanDerWaalsContact O-N 3.14Å; A542-E545 PolarHBondContact O-N 3.11Å; A542-A546 WeakPolarHBondContact O-CB 3.43Å; A542-A546 PolarHBondContact O-N 3.47Å |
| 543 | A | 88.1 | Confident | 86.9 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.4 | -42.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I539 G540 E541 E545 A546 E547 L569 F572 | I539-A543 PolarHBondContact O-N 3.01Å; G540-A543 PolarHBondContact O-N 3.29Å; E541-A543 VanDerWaalsContact C-N 3.34Å; E541-A543 PolarHBondContact O-N 2.97Å; A543-E545 PolarHBondContact O-N 3.25Å; A543-A546 PolarHBondContact O-N 3.1Å; A543-E547 WeakPolarHBondContact O-CG 2.99Å; A543-E547 PolarHBondContact O-N 3.06Å; A543-L569 HydrophobicContact CB-CD2 4.19Å; A543-F572 HydrophobicContact CB-CB 4.14Å; A543-F572 HydrophobicContact CB-CD1 3.89Å; A543-F572 HydrophobicContact CB-CD2 3.47Å; A543-F572 VanDerWaalsContact CB-CD2 3.47Å; A543-F572 HydrophobicContact CB-CE1 3.99Å; A543-F572 HydrophobicContact CB-CE2 3.63Å; A543-F572 HydrophobicContact CB-CG 3.59Å; A543-F572 HydrophobicContact CB-CZ 3.82Å |
| 544 | N | 90.4 | Very high | 86.4 | Confident | 95 Ų | 95 | 53.7 Ų | 53.7 | 51% | 0.508 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 177 | -67.8 | -10.3 | 0 | 0 | 0 | 111.7 | G540 E541 A546 E547 L548 | G540-N544 PolarHBondContact O-N 2.94Å; E541-N544 PolarHBondContact O-N 3.42Å; N544-A546 VanDerWaalsContact C-N 3.31Å; N544-A546 PolarHBondContact O-N 3.08Å; N544-E547 PolarHBondContact O-N 3.34Å; N544-L548 WeakPolarHBondContact O-CB 3.32Å; N544-L548 VanDerWaalsContact O-CG 3.26Å; N544-L548 WeakPolarHBondContact O-CG 3.29Å; N544-L548 PolarHBondContact O-N 3.22Å |
| 545 | E | 90.8 | Very high | 85.9 | Confident | 46 Ų | 46 | 54.9 Ų | 54.9 | 22% | 0.215 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.6 | -34.3 | 176.3 | -66.9 | -61.9 | 158.5 | 0 | 0 | 112 | R526 L533 E541 A542 A543 L548 S549 | R526-E545 WeakPolarHBondContact CG-OE2 3.46Å; L533-E545 HydrophobicContact CD1-CG 4.12Å; E541-E545 WeakPolarHBondContact O-CG 3.49Å; E541-E545 PolarHBondContact O-N 3.22Å; A542-E545 PolarHBondContact O-N 3.11Å; A543-E545 PolarHBondContact O-N 3.25Å; E545-L548 PolarHBondContact O-N 3.33Å; E545-S549 WeakPolarHBondContact O-CB 3.45Å; E545-S549 PolarHBondContact O-N 3.49Å; E545-S549 PolarHBondContact O-OG 3.5Å |
| 546 | A | 88.3 | Confident | 84.9 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70.8 | -37.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A542 A543 N544 S549 L550 C568 L569 | A542-A546 WeakPolarHBondContact O-CB 3.43Å; A542-A546 PolarHBondContact O-N 3.47Å; A543-A546 PolarHBondContact O-N 3.1Å; N544-A546 VanDerWaalsContact C-N 3.31Å; N544-A546 PolarHBondContact O-N 3.08Å; A546-S549 WeakPolarHBondContact CA-OG 3.47Å; A546-S549 PolarHBondContact O-OG 3.03Å; A546-L550 WeakPolarHBondContact O-CB 3.3Å; A546-L550 PolarHBondContact O-N 3.09Å; A546-C568 HydrophobicContact CB-CB 4.09Å; A546-L569 HydrophobicContact CB-CD2 3.88Å; A546-L569 HydrophobicContact CB-CG 3.88Å |
| 547 | E | 89.8 | Confident | 83.9 | Confident | 96 Ų | 96 | 55.3 Ų | 55.3 | 45% | 0.449 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.8 | -45.7 | 171.9 | -71.8 | 178 | 177.3 | 0 | 0 | 110.4 | A543 N544 S549 L550 E551 L569 | A543-E547 WeakPolarHBondContact O-CG 2.99Å; A543-E547 PolarHBondContact O-N 3.06Å; N544-E547 PolarHBondContact O-N 3.34Å; E547-S549 VanDerWaalsContact C-N 3.35Å; E547-S549 PolarHBondContact O-N 3.44Å; E547-L550 WeakPolarHBondContact O-CB 3.34Å; E547-L550 PolarHBondContact O-N 3.29Å; E547-L550 VanDerWaalsContact O-N 3.17Å; E547-E551 PolarHBondContact O-N 2.63Å; E547-L569 HydrophobicContact CG-CD1 4.31Å; E547-L569 HydrophobicContact CG-CD2 3.84Å |
| 548 | L | 89.4 | Confident | 83.6 | Confident | 59 Ų | 59 | 57 Ų | 57 | 31% | 0.309 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.4 | -30.1 | 177.8 | -76.7 | 178.1 | 0 | 0 | 0 | 113.8 | R526 N544 E545 L552 | R526-L548 PolarHBondContact NH1-O 3.46Å; N544-L548 WeakPolarHBondContact O-CB 3.32Å; N544-L548 VanDerWaalsContact O-CG 3.26Å; N544-L548 WeakPolarHBondContact O-CG 3.29Å; N544-L548 PolarHBondContact O-N 3.22Å; E545-L548 PolarHBondContact O-N 3.33Å; L548-L552 WeakPolarHBondContact O-CG 3.37Å |
| 549 | S | 89.6 | Confident | 83.3 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -75 | -35 | 171.6 | 60.7 | 0 | 0 | 0 | 0 | 111.7 | E545 A546 E547 L552 A553 S565 | E545-S549 WeakPolarHBondContact O-CB 3.45Å; E545-S549 PolarHBondContact O-N 3.49Å; E545-S549 PolarHBondContact O-OG 3.5Å; A546-S549 WeakPolarHBondContact CA-OG 3.47Å; A546-S549 PolarHBondContact O-OG 3.03Å; E547-S549 VanDerWaalsContact C-N 3.35Å; E547-S549 PolarHBondContact O-N 3.44Å; S549-L552 PolarHBondContact O-N 2.99Å; S549-A553 VanDerWaalsContact O-CB 3.26Å; S549-A553 WeakPolarHBondContact O-CB 3.38Å; S549-A553 PolarHBondContact O-N 2.8Å; S549-S565 PolarHBondContact OG-OG 3.15Å |
| 550 | L | 88.1 | Confident | 83.2 | Confident | 29 Ų | 29 | 57.7 Ų | 57.7 | 15% | 0.152 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.5 | -44.8 | 176.4 | -171.7 | 69.8 | 0 | 0 | 0 | 111.6 | A546 E547 L552 A553 D554 K562 Y566 | A546-L550 WeakPolarHBondContact O-CB 3.3Å; A546-L550 PolarHBondContact O-N 3.09Å; E547-L550 WeakPolarHBondContact O-CB 3.34Å; E547-L550 PolarHBondContact O-N 3.29Å; E547-L550 VanDerWaalsContact O-N 3.17Å; L550-L552 VanDerWaalsContact C-N 3.33Å; L550-L552 PolarHBondContact O-N 3Å; L550-A553 PolarHBondContact O-N 3.47Å; L550-A553 VanDerWaalsContact O-N 3.13Å; L550-D554 PolarHBondContact O-N 3.35Å; L550-K562 HydrophobicContact CD1-CB 4.02Å; L550-K562 HydrophobicContact CD1-CG 3.98Å; L550-Y566 HydrophobicContact CD1-CD1 4.35Å; L550-Y566 HydrophobicContact CD1-CE1 3.8Å; L550-Y566 HydrophobicContact CD1-CE2 4.31Å; L550-Y566 HydrophobicContact CD2-CD1 4.34Å; L550-Y566 HydrophobicContact CD2-CE1 3.66Å; L550-Y566 HydrophobicContact CG-CE1 4.42Å |
| 551 | E | 85.5 | Confident | 83.3 | Confident | 132 Ų | 132 | 56.3 Ų | 56.3 | 62% | 0.617 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -57.6 | -43.4 | 175.5 | -72.2 | 179.3 | 176.5 | 0 | 0 | 112.3 | E547 | E547-E551 PolarHBondContact O-N 2.63Å |
| 552 | L | 85.2 | Confident | 83.2 | Confident | 30 Ų | 30 | 53 Ų | 53 | 16% | 0.157 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -72.1 | -33.5 | 175.4 | -68.7 | 179 | 0 | 0 | 0 | 112.5 | E522 C523 L548 S549 L550 D554 S555 F556 | E522-L552 HydrophobicContact CB-CD1 4.39Å; E522-L552 HydrophobicContact CG-CD1 3.78Å; C523-L552 HydrophobicContact CB-CB 3.9Å; C523-L552 HydrophobicContact CB-CD1 4.19Å; L548-L552 WeakPolarHBondContact O-CG 3.37Å; S549-L552 PolarHBondContact O-N 2.99Å; L550-L552 VanDerWaalsContact C-N 3.33Å; L550-L552 PolarHBondContact O-N 3Å; L552-D554 VanDerWaalsContact C-N 3.31Å; L552-S555 PolarHBondContact O-N 3.12Å; L552-S555 PolarHBondContact O-OG 3.03Å; L552-F556 WeakPolarHBondContact O-CD2 3.24Å |
| 553 | A | 84.2 | Confident | 83.1 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -70.4 | -30.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | S549 L550 S557 Y558 V561 K562 | S549-A553 VanDerWaalsContact O-CB 3.26Å; S549-A553 WeakPolarHBondContact O-CB 3.38Å; S549-A553 PolarHBondContact O-N 2.8Å; L550-A553 PolarHBondContact O-N 3.47Å; L550-A553 VanDerWaalsContact O-N 3.13Å; A553-S557 PolarHBondContact O-N 3.49Å; A553-S557 VanDerWaalsContact O-N 3.14Å; A553-Y558 PolarHBondContact O-N 3.47Å; A553-V561 HydrophobicContact CB-CB 4.38Å; A553-V561 HydrophobicContact CB-CG1 4.43Å; A553-K562 HydrophobicContact CB-CG 3.56Å; A553-K562 VanDerWaalsContact O-CE 3.28Å; A553-K562 WeakPolarHBondContact O-CE 3.39Å |
| 554 | D | 77.7 | Confident | 82.9 | Confident | 93 Ų | 93 | 56.7 Ų | 56.7 | 50% | 0.497 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65 | -35.4 | 174.2 | -83.1 | -20.7 | 0 | 0 | 0 | 112.6 | L550 L552 F556 K562 | L550-D554 PolarHBondContact O-N 3.35Å; L552-D554 VanDerWaalsContact C-N 3.31Å; D554-F556 PolarHBondContact O-N 3.37Å; D554-K562 WeakPolarHBondContact OD1-CE 3.46Å; D554-K562 IonicContact OD1-NZ 3.45Å; D554-K562 PolarHBondContact OD1-NZ 3.48Å |
| 555 | S | 74.4 | Confident | 82.8 | Confident | 78 Ų | 78 | 52.2 Ų | 52.2 | 55% | 0.545 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -72.1 | -24.9 | 179.4 | 60.9 | 0 | 0 | 0 | 0 | 114.2 | L552 | L552-S555 PolarHBondContact O-N 3.12Å; L552-S555 PolarHBondContact O-OG 3.03Å |
| 556 | F | 64.5 | Low | 82.7 | Confident | 83 Ų | 83 | 51.9 Ų | 51.9 | 36% | 0.364 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -118.7 | 6.9 | -173.4 | -64.4 | -74 | 0 | 0 | 0 | 115 | D519 L552 D554 Y558 | D519-F556 HydrophobicContact CB-CD2 4.35Å; D519-F556 HydrophobicContact CB-CE2 3.34Å; D519-F556 HydrophobicContact CB-CZ 3.53Å; D519-F556 VanDerWaalsContact OD2-CZ 3.32Å; D519-F556 WeakPolarHBondContact OD2-CZ 3.44Å; L552-F556 WeakPolarHBondContact O-CD2 3.24Å; D554-F556 PolarHBondContact O-N 3.37Å; F556-Y558 VanDerWaalsContact C-N 3.28Å; F556-Y558 HydrophobicContact CB-CD2 3.41Å; F556-Y558 VanDerWaalsContact CB-CD2 3.41Å; F556-Y558 HydrophobicContact CB-CE2 3.33Å; F556-Y558 HydrophobicContact CB-CG 4.42Å; F556-Y558 HydrophobicContact CD2-CE2 4.35Å; F556-Y558 HydrophobicContact CG-CD2 4.33Å; F556-Y558 AromaticContact CG-CE2 3.95Å; F556-Y558 HydrophobicContact CG-CE2 3.95Å; F556-Y558 PolarHBondContact O-N 3.04Å |
| 557 | S | 67.1 | Low | 82.8 | Confident | 91 Ų | 91 | 54.7 Ų | 54.7 | 64% | 0.636 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 32.2 | -177.2 | 67.2 | 0 | 0 | 0 | 0 | 114.9 | A553 Q559 | A553-S557 PolarHBondContact O-N 3.49Å; A553-S557 VanDerWaalsContact O-N 3.14Å; S557-Q559 VanDerWaalsContact C-N 3.33Å; S557-Q559 PolarHBondContact O-N 3.23Å |
| 558 | Y | 74.7 | Confident | 82.6 | Confident | 86 Ų | 86 | 50.6 Ų | 50.6 | 34% | 0.337 | 26% | 0.255 | S | S | . | . | trans | -77 | 76.8 | 176.7 | -75.6 | -62.9 | 0 | 0 | 0 | 112.3 | S520 A553 F556 K560 V561 K562 | S520-Y558 VanDerWaalsContact CB-OH 3.3Å; S520-Y558 WeakPolarHBondContact CB-OH 2.99Å; S520-Y558 PolarHBondContact OG-OH 2.91Å; A553-Y558 PolarHBondContact O-N 3.47Å; F556-Y558 VanDerWaalsContact C-N 3.28Å; F556-Y558 HydrophobicContact CB-CD2 3.41Å; F556-Y558 VanDerWaalsContact CB-CD2 3.41Å; F556-Y558 HydrophobicContact CB-CE2 3.33Å; F556-Y558 HydrophobicContact CB-CG 4.42Å; F556-Y558 HydrophobicContact CD2-CE2 4.35Å; F556-Y558 HydrophobicContact CG-CD2 4.33Å; F556-Y558 AromaticContact CG-CE2 3.95Å; F556-Y558 HydrophobicContact CG-CE2 3.95Å; F556-Y558 PolarHBondContact O-N 3.04Å; Y558-K560 VanDerWaalsContact C-N 3.32Å; Y558-K560 PolarHBondContact O-N 3.11Å; Y558-V561 PolarHBondContact O-N 3.16Å; Y558-K562 PolarHBondContact O-N 3.05Å | ||
| 559 | Q | 79.5 | Confident | 82.5 | Confident | 65 Ų | 65 | 48.3 Ų | 48.3 | 30% | 0.304 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58 | -40.4 | -174.3 | -64 | -63.3 | -1.7 | 0 | 0 | 113.5 | S557 V561 K562 G563 I592 L596 | S557-Q559 VanDerWaalsContact C-N 3.33Å; S557-Q559 PolarHBondContact O-N 3.23Å; Q559-V561 PolarHBondContact O-N 3.13Å; Q559-K562 WeakPolarHBondContact O-CB 3.35Å; Q559-K562 PolarHBondContact O-N 3.17Å; Q559-G563 PolarHBondContact O-N 3.41Å; Q559-G563 VanDerWaalsContact O-N 3.16Å; Q559-I592 HydrophobicContact CB-CG2 4.35Å; Q559-I592 VanDerWaalsContact O-CG2 3.28Å; Q559-I592 WeakPolarHBondContact O-CG2 3.46Å; Q559-L596 HydrophobicContact CB-CD1 3.72Å; Q559-L596 HydrophobicContact CB-CD2 4.03Å; Q559-L596 HydrophobicContact CB-CG 4.25Å |
| 560 | K | 81.3 | Confident | 82.5 | Confident | 100 Ų | 100 | 48.3 Ų | 48.3 | 44% | 0.435 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -57.6 | -46.9 | 178.3 | -172.1 | 172.8 | 180 | 174.1 | 0 | 112.7 | Y558 K562 G563 E564 L596 Y598 | Y558-K560 VanDerWaalsContact C-N 3.32Å; Y558-K560 PolarHBondContact O-N 3.11Å; K560-K562 VanDerWaalsContact C-N 3.31Å; K560-K562 PolarHBondContact O-N 3.03Å; K560-G563 PolarHBondContact O-N 3.03Å; K560-E564 WeakPolarHBondContact CE-OE1 3.47Å; K560-E564 PolarHBondContact O-N 2.94Å; K560-L596 HydrophobicContact CB-CD1 4.39Å; K560-Y598 HydrophobicContact CB-CE2 3.92Å; K560-Y598 HydrophobicContact CD-CE2 3.77Å; K560-Y598 HydrophobicContact CG-CD2 4.39Å; K560-Y598 HydrophobicContact CG-CE2 3.76Å |
| 561 | V | 84.4 | Confident | 82.3 | Confident | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.03 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.8 | -33.8 | -178.2 | -177.8 | 0 | 0 | 0 | 0 | 111.3 | L524 A527 A553 Y558 Q559 G563 E564 S565 | L524-V561 HydrophobicContact CD2-CG2 3.58Å; A527-V561 HydrophobicContact CB-CG1 3.64Å; A553-V561 HydrophobicContact CB-CB 4.38Å; A553-V561 HydrophobicContact CB-CG1 4.43Å; Y558-V561 PolarHBondContact O-N 3.16Å; Q559-V561 PolarHBondContact O-N 3.13Å; V561-G563 VanDerWaalsContact C-N 3.33Å; V561-G563 PolarHBondContact O-N 3.17Å; V561-E564 PolarHBondContact O-N 3.43Å; V561-S565 WeakPolarHBondContact O-CB 3.47Å; V561-S565 PolarHBondContact O-N 2.84Å; V561-S565 PolarHBondContact O-OG 3.38Å |
| 562 | K | 85.4 | Confident | 82.2 | Confident | 24 Ų | 24 | 43.3 Ų | 43.3 | 10% | 0.104 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.2 | -44.3 | 172.6 | -63.4 | -171.8 | -170.5 | -173.5 | 0 | 111.5 | L550 A553 D554 Y558 Q559 K560 S565 Y566 I592 | L550-K562 HydrophobicContact CD1-CB 4.02Å; L550-K562 HydrophobicContact CD1-CG 3.98Å; A553-K562 HydrophobicContact CB-CG 3.56Å; A553-K562 VanDerWaalsContact O-CE 3.28Å; A553-K562 WeakPolarHBondContact O-CE 3.39Å; D554-K562 WeakPolarHBondContact OD1-CE 3.46Å; D554-K562 IonicContact OD1-NZ 3.45Å; D554-K562 PolarHBondContact OD1-NZ 3.48Å; Y558-K562 PolarHBondContact O-N 3.05Å; Q559-K562 WeakPolarHBondContact O-CB 3.35Å; Q559-K562 PolarHBondContact O-N 3.17Å; K560-K562 VanDerWaalsContact C-N 3.31Å; K560-K562 PolarHBondContact O-N 3.03Å; K562-S565 PolarHBondContact O-N 3.32Å; K562-Y566 HydrophobicContact CB-CE2 4.26Å; K562-Y566 WeakPolarHBondContact O-CD2 3.48Å; K562-Y566 PolarHBondContact O-N 3.22Å; K562-I592 HydrophobicContact CB-CD1 3.74Å |
| 563 | G | 86.1 | Confident | 82 | Confident | 2 Ų | 2 | 43.4 Ų | 43.4 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57 | -49.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q559 K560 V561 S565 Y566 K567 H589 | Q559-G563 PolarHBondContact O-N 3.41Å; Q559-G563 VanDerWaalsContact O-N 3.16Å; K560-G563 PolarHBondContact O-N 3.03Å; V561-G563 VanDerWaalsContact C-N 3.33Å; V561-G563 PolarHBondContact O-N 3.17Å; G563-S565 VanDerWaalsContact C-N 3.34Å; G563-S565 PolarHBondContact O-N 3.14Å; G563-Y566 PolarHBondContact O-N 3.22Å; G563-K567 PolarHBondContact O-N 3.38Å; G563-K567 VanDerWaalsContact O-N 3.08Å; G563-H589 WeakPolarHBondContact CA-ND1 3.35Å; G563-H589 PolarHBondContact O-ND1 3.3Å; G563-H589 VanDerWaalsContact O-ND1 3.1Å |
| 564 | E | 84.5 | Confident | 81.9 | Confident | 76 Ų | 76 | 45.3 Ų | 45.3 | 36% | 0.355 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.2 | -39.3 | 177.4 | -67.9 | 174.5 | -176.7 | 0 | 0 | 112.4 | K560 V561 K567 C568 | K560-E564 WeakPolarHBondContact CE-OE1 3.47Å; K560-E564 PolarHBondContact O-N 2.94Å; V561-E564 PolarHBondContact O-N 3.43Å; E564-K567 WeakPolarHBondContact O-CB 3.29Å; E564-K567 PolarHBondContact O-N 3.07Å; E564-C568 PolarHBondContact O-N 3.36Å; E564-C568 VanDerWaalsContact O-N 3.14Å |
| 565 | S | 87.9 | Confident | 81.8 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.007 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.3 | -43.8 | 177.9 | -53.1 | 0 | 0 | 0 | 0 | 111.6 | S549 V561 K562 G563 K567 C568 L569 | S549-S565 PolarHBondContact OG-OG 3.15Å; V561-S565 WeakPolarHBondContact O-CB 3.47Å; V561-S565 PolarHBondContact O-N 2.84Å; V561-S565 PolarHBondContact O-OG 3.38Å; K562-S565 PolarHBondContact O-N 3.32Å; G563-S565 VanDerWaalsContact C-N 3.34Å; G563-S565 PolarHBondContact O-N 3.14Å; S565-K567 VanDerWaalsContact C-N 3.32Å; S565-K567 PolarHBondContact O-N 3.37Å; S565-C568 PolarHBondContact O-N 2.89Å; S565-L569 WeakPolarHBondContact O-CG 3.26Å; S565-L569 PolarHBondContact O-N 2.99Å |
| 566 | Y | 90.3 | Very high | 81.7 | Confident | 39 Ų | 39 | 48.1 Ų | 48.1 | 15% | 0.153 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.4 | -39.8 | 175 | -71.6 | -43.2 | 0 | 0 | 0 | 112.5 | L550 K562 G563 L569 A570 L585 K588 I592 | L550-Y566 HydrophobicContact CD1-CD1 4.35Å; L550-Y566 HydrophobicContact CD1-CE1 3.8Å; L550-Y566 HydrophobicContact CD1-CE2 4.31Å; L550-Y566 HydrophobicContact CD2-CD1 4.34Å; L550-Y566 HydrophobicContact CD2-CE1 3.66Å; L550-Y566 HydrophobicContact CG-CE1 4.42Å; K562-Y566 HydrophobicContact CB-CE2 4.26Å; K562-Y566 WeakPolarHBondContact O-CD2 3.48Å; K562-Y566 PolarHBondContact O-N 3.22Å; G563-Y566 PolarHBondContact O-N 3.22Å; Y566-L569 PolarHBondContact O-N 3.14Å; Y566-A570 WeakPolarHBondContact O-CB 3.45Å; Y566-A570 PolarHBondContact O-N 3.14Å; Y566-L585 HydrophobicContact CD1-CD2 3.77Å; Y566-L585 HydrophobicContact CE1-CD2 4.33Å; Y566-K588 HydrophobicContact CD2-CB 3.88Å; Y566-K588 HydrophobicContact CE1-CD 4.17Å; Y566-K588 HydrophobicContact CE2-CB 3.99Å; Y566-K588 HydrophobicContact CE2-CD 4.49Å; Y566-K588 HydrophobicContact CG-CB 4.28Å; Y566-I592 HydrophobicContact CD2-CD1 3.87Å; Y566-I592 HydrophobicContact CE2-CD1 3.69Å |
| 567 | K | 88.7 | Confident | 81.9 | Confident | 59 Ų | 59 | 45.3 Ų | 45.3 | 26% | 0.257 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.3 | -47.5 | 175.1 | -176.6 | -174 | 173.9 | -178.4 | 0 | 111.6 | G563 E564 S565 A570 E571 Y586 | G563-K567 PolarHBondContact O-N 3.38Å; G563-K567 VanDerWaalsContact O-N 3.08Å; E564-K567 WeakPolarHBondContact O-CB 3.29Å; E564-K567 PolarHBondContact O-N 3.07Å; S565-K567 VanDerWaalsContact C-N 3.32Å; S565-K567 PolarHBondContact O-N 3.37Å; K567-A570 WeakPolarHBondContact O-CB 3.24Å; K567-A570 PolarHBondContact O-N 3.31Å; K567-E571 WeakPolarHBondContact CE-OE1 3.31Å; K567-E571 WeakPolarHBondContact O-CG 3.43Å; K567-E571 PolarHBondContact O-N 3.33Å; K567-Y586 HydrophobicContact CG-CE1 4.14Å |
| 568 | C | 86 | Confident | 82.2 | Confident | 10 Ų | 10 | 42.9 Ų | 42.9 | 7% | 0.068 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.1 | -42.2 | 179.1 | -175.6 | 0 | 0 | 0 | 0 | 112.3 | C530 A546 E564 S565 A570 E571 F572 | C530-C568 HydrophobicContact CB-CB 4.09Å; A546-C568 HydrophobicContact CB-CB 4.09Å; E564-C568 PolarHBondContact O-N 3.36Å; E564-C568 VanDerWaalsContact O-N 3.14Å; S565-C568 PolarHBondContact O-N 2.89Å; C568-A570 VanDerWaalsContact C-N 3.31Å; C568-A570 PolarHBondContact O-N 2.81Å; C568-E571 PolarHBondContact O-N 3.32Å; C568-F572 PolarHBondContact O-N 3Å |
| 569 | L | 88.4 | Confident | 82.3 | Confident | 11 Ų | 11 | 39.2 Ų | 39.2 | 6% | 0.058 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.4 | -37.6 | 175.9 | -67.9 | 173.2 | 0 | 0 | 0 | 112 | A543 A546 E547 S565 Y566 F572 H573 L585 | A543-L569 HydrophobicContact CB-CD2 4.19Å; A546-L569 HydrophobicContact CB-CD2 3.88Å; A546-L569 HydrophobicContact CB-CG 3.88Å; E547-L569 HydrophobicContact CG-CD1 4.31Å; E547-L569 HydrophobicContact CG-CD2 3.84Å; S565-L569 WeakPolarHBondContact O-CG 3.26Å; S565-L569 PolarHBondContact O-N 2.99Å; Y566-L569 PolarHBondContact O-N 3.14Å; L569-F572 WeakPolarHBondContact O-CB 3.47Å; L569-F572 PolarHBondContact O-N 3.11Å; L569-H573 PolarHBondContact O-CD2 3.15Å; L569-H573 PolarHBondContact O-N 3.25Å; L569-L585 HydrophobicContact CB-CD1 3.83Å |
| 570 | A | 87.9 | Confident | 82 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.9 | -43.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | Y566 K567 C568 F572 H573 I574 A582 L585 Y586 | Y566-A570 WeakPolarHBondContact O-CB 3.45Å; Y566-A570 PolarHBondContact O-N 3.14Å; K567-A570 WeakPolarHBondContact O-CB 3.24Å; K567-A570 PolarHBondContact O-N 3.31Å; C568-A570 VanDerWaalsContact C-N 3.31Å; C568-A570 PolarHBondContact O-N 2.81Å; A570-F572 VanDerWaalsContact C-N 3.32Å; A570-F572 PolarHBondContact O-N 3.44Å; A570-H573 PolarHBondContact O-N 2.8Å; A570-H573 VanDerWaalsContact O-N 3.15Å; A570-I574 PolarHBondContact O-N 3.13Å; A570-A582 HydrophobicContact CB-CB 4.26Å; A570-A582 WeakPolarHBondContact O-CB 3.4Å; A570-L585 HydrophobicContact CB-CB 3.81Å; A570-L585 HydrophobicContact CB-CD1 4.42Å; A570-Y586 HydrophobicContact CB-CD1 3.58Å; A570-Y586 HydrophobicContact CB-CD2 3.97Å; A570-Y586 HydrophobicContact CB-CE1 3.38Å; A570-Y586 HydrophobicContact CB-CE2 3.8Å; A570-Y586 HydrophobicContact CB-CG 3.86Å; A570-Y586 VanDerWaalsContact CB-CZ 3.48Å |
| 571 | E | 85 | Confident | 81.8 | Confident | 41 Ų | 41 | 38.2 Ų | 38.2 | 19% | 0.192 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.4 | -39.9 | 175.1 | -71.5 | 172.5 | -178.8 | 0 | 0 | 111.8 | F534 K567 C568 I574 A575 Y586 | F534-E571 HydrophobicContact CE2-CB 3.87Å; F534-E571 HydrophobicContact CZ-CB 3.97Å; K567-E571 WeakPolarHBondContact CE-OE1 3.31Å; K567-E571 WeakPolarHBondContact O-CG 3.43Å; K567-E571 PolarHBondContact O-N 3.33Å; C568-E571 PolarHBondContact O-N 3.32Å; E571-I574 PolarHBondContact O-N 3.35Å; E571-A575 PolarHBondContact O-N 2.99Å; E571-Y586 WeakPolarHBondContact CG-OH 3.26Å |
| 572 | F | 84.2 | Confident | 81.9 | Confident | 15 Ų | 15 | 38 Ų | 38 | 7% | 0.066 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.4 | -44.1 | 171.5 | 168.5 | -100.7 | 0 | 0 | 0 | 112.6 | I539 A543 C568 L569 A570 A575 R576 | I539-F572 HydrophobicContact CG2-CB 4.28Å; I539-F572 HydrophobicContact CG2-CD2 3.46Å; I539-F572 VanDerWaalsContact CG2-CD2 3.46Å; I539-F572 HydrophobicContact CG2-CE2 4.28Å; I539-F572 HydrophobicContact CG2-CG 4.31Å; I539-F572 WeakPolarHBondContact O-CD2 3.39Å; A543-F572 HydrophobicContact CB-CB 4.14Å; A543-F572 HydrophobicContact CB-CD1 3.89Å; A543-F572 HydrophobicContact CB-CD2 3.47Å; A543-F572 VanDerWaalsContact CB-CD2 3.47Å; A543-F572 HydrophobicContact CB-CE1 3.99Å; A543-F572 HydrophobicContact CB-CE2 3.63Å; A543-F572 HydrophobicContact CB-CG 3.59Å; A543-F572 HydrophobicContact CB-CZ 3.82Å; C568-F572 PolarHBondContact O-N 3Å; L569-F572 WeakPolarHBondContact O-CB 3.47Å; L569-F572 PolarHBondContact O-N 3.11Å; A570-F572 VanDerWaalsContact C-N 3.32Å; A570-F572 PolarHBondContact O-N 3.44Å; F572-A575 PolarHBondContact O-N 3.18Å; F572-R576 VanDerWaalsContact CZ-NE 3.28Å; F572-R576 VanDerWaalsContact CZ-NH1 3.26Å; F572-R576 PolarHBondContact O-N 3.16Å |
| 573 | H | 80.3 | Confident | 82 | Confident | 33 Ų | 33 | 37.7 Ų | 37.7 | 15% | 0.153 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.9 | -36.1 | 177.3 | -81.6 | -65.8 | 0 | 0 | 0 | 112.7 | L569 A570 R576 G577 S578 A582 L585 | L569-H573 PolarHBondContact O-CD2 3.15Å; L569-H573 PolarHBondContact O-N 3.25Å; A570-H573 PolarHBondContact O-N 2.8Å; A570-H573 VanDerWaalsContact O-N 3.15Å; H573-R576 CarbonylContact O-C 3.56Å; H573-R576 PolarHBondContact O-N 3.47Å; H573-G577 PolarHBondContact O-N 3.06Å; H573-G577 VanDerWaalsContact O-N 3.08Å; H573-S578 PolarHBondContact O-N 3.04Å; H573-A582 HydrophobicContact CB-CB 4.04Å; H573-L585 VanDerWaalsContact CD2-CD1 3.44Å; H573-L585 WeakPolarHBondContact CD2-CD1 3.42Å |
| 574 | I | 80.7 | Confident | 82.1 | Confident | 39 Ų | 39 | 43 Ų | 43 | 20% | 0.2 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.9 | -46.6 | 170.7 | -74.9 | 169 | 0 | 0 | 0 | 110.8 | A570 E571 R576 G577 A582 Y586 | A570-I574 PolarHBondContact O-N 3.13Å; E571-I574 PolarHBondContact O-N 3.35Å; I574-R576 PolarHBondContact O-N 3.44Å; I574-G577 PolarHBondContact O-N 3.44Å; I574-A582 HydrophobicContact CD1-CB 4.17Å; I574-A582 HydrophobicContact CG1-CB 3.65Å; I574-Y586 HydrophobicContact CD1-CE2 3.58Å; I574-Y586 WeakPolarHBondContact CD1-OH 3.5Å |
| 575 | A | 76 | Confident | 82.3 | Confident | 56 Ų | 56 | 40.4 Ų | 40.4 | 46% | 0.463 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.8 | -28.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I539 E571 F572 | I539-A575 HydrophobicContact CD1-CB 4.03Å; I539-A575 HydrophobicContact CG2-CB 4.06Å; E571-A575 PolarHBondContact O-N 2.99Å; F572-A575 PolarHBondContact O-N 3.18Å |
| 576 | R | 73.9 | Confident | 82.5 | Confident | 174 Ų | 174 | 40.7 Ų | 40.7 | 66% | 0.657 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81 | -10.2 | 171.3 | -79.5 | -171.5 | 163 | 175.2 | -0 | 114.6 | F572 H573 I574 | F572-R576 VanDerWaalsContact CZ-NE 3.28Å; F572-R576 VanDerWaalsContact CZ-NH1 3.26Å; F572-R576 PolarHBondContact O-N 3.16Å; H573-R576 CarbonylContact O-C 3.56Å; H573-R576 PolarHBondContact O-N 3.47Å; I574-R576 PolarHBondContact O-N 3.44Å |
| 577 | G | 68 | Low | 82.6 | Confident | 25 Ų | 25 | 43.1 Ų | 43.1 | 26% | 0.258 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | 10.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | H573 I574 I579 | H573-G577 PolarHBondContact O-N 3.06Å; H573-G577 VanDerWaalsContact O-N 3.08Å; I574-G577 PolarHBondContact O-N 3.44Å; G577-I579 PolarHBondContact O-N 3.32Å |
| 578 | S | 73 | Confident | 82.7 | Confident | 39 Ų | 39 | 44.5 Ų | 44.5 | 27% | 0.273 | 23% | 0.227 | S | C | . | . | trans | -92.7 | 70.4 | 174.7 | -58.6 | 0 | 0 | 0 | 0 | 110.5 | H573 G580 K581 A582 | H573-S578 PolarHBondContact O-N 3.04Å; S578-G580 PolarHBondContact O-N 3.43Å; S578-K581 PolarHBondContact O-N 3.36Å; S578-A582 PolarHBondContact O-N 3.48Å | ||
| 579 | I | 76.6 | Confident | 83 | Confident | 9 Ų | 9 | 44.2 Ų | 44.2 | 5% | 0.046 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -70.2 | -30.6 | -170.5 | -47.7 | -175.8 | 0 | 0 | 0 | 112 | G577 K581 A582 I583 A612 K615 I616 D839 H840 | G577-I579 PolarHBondContact O-N 3.32Å; I579-K581 PolarHBondContact O-N 3.02Å; I579-A582 WeakPolarHBondContact O-CA 3.3Å; I579-A582 WeakPolarHBondContact O-CB 3.03Å; I579-A582 PolarHBondContact O-N 3.47Å; I579-A582 VanDerWaalsContact O-N 3.09Å; I579-I583 PolarHBondContact O-N 3.25Å; I579-A612 HydrophobicContact CG2-CB 3.94Å; I579-K615 HydrophobicContact CD1-CB 3.75Å; I579-K615 HydrophobicContact CD1-CD 4.31Å; I579-I616 HydrophobicContact CB-CD1 3.63Å; I579-I616 HydrophobicContact CB-CG1 3.84Å; I579-I616 HydrophobicContact CD1-CG1 4.31Å; I579-I616 HydrophobicContact CG2-CD1 3.31Å; I579-I616 HydrophobicContact CG2-CG1 3.69Å; I579-D839 PolarHBondContact N-OD2 3.42Å; I579-D839 VanDerWaalsContact N-OD2 3.16Å; I579-H840 WeakPolarHBondContact CD1-NE2 3.49Å |
| 580 | G | 73 | Confident | 83.2 | Confident | 24 Ų | 24 | 44.4 Ų | 44.4 | 25% | 0.247 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.6 | -45.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S578 A582 I583 E584 D839 | S578-G580 PolarHBondContact O-N 3.43Å; G580-A582 VanDerWaalsContact C-N 3.29Å; G580-A582 PolarHBondContact O-N 3.33Å; G580-I583 PolarHBondContact O-N 3.35Å; G580-E584 PolarHBondContact O-N 2.98Å; G580-D839 WeakPolarHBondContact CA-OD2 3.29Å; G580-D839 PolarHBondContact N-OD2 3.33Å |
| 581 | K | 78.1 | Confident | 83.2 | Confident | 121 Ų | 121 | 49.1 Ų | 49.1 | 53% | 0.526 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.2 | -34 | 172.9 | -69.8 | -173.4 | 177.4 | -175.1 | 0 | 112.6 | S578 I579 E584 L585 | S578-K581 PolarHBondContact O-N 3.36Å; I579-K581 PolarHBondContact O-N 3.02Å; K581-E584 PolarHBondContact O-N 3.11Å; K581-L585 WeakPolarHBondContact O-CG 3.35Å; K581-L585 PolarHBondContact O-N 3.35Å |
| 582 | A | 85.8 | Confident | 83.4 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.5 | -37.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A570 H573 I574 S578 I579 G580 L585 Y586 | A570-A582 HydrophobicContact CB-CB 4.26Å; A570-A582 WeakPolarHBondContact O-CB 3.4Å; H573-A582 HydrophobicContact CB-CB 4.04Å; I574-A582 HydrophobicContact CD1-CB 4.17Å; I574-A582 HydrophobicContact CG1-CB 3.65Å; S578-A582 PolarHBondContact O-N 3.48Å; I579-A582 WeakPolarHBondContact O-CA 3.3Å; I579-A582 WeakPolarHBondContact O-CB 3.03Å; I579-A582 PolarHBondContact O-N 3.47Å; I579-A582 VanDerWaalsContact O-N 3.09Å; G580-A582 VanDerWaalsContact C-N 3.29Å; G580-A582 PolarHBondContact O-N 3.33Å; A582-L585 PolarHBondContact O-N 3.09Å; A582-Y586 HydrophobicContact CB-CE2 4.5Å; A582-Y586 VanDerWaalsContact O-CD2 3.25Å; A582-Y586 WeakPolarHBondContact O-CD2 3.31Å; A582-Y586 PolarHBondContact O-N 3.27Å |
| 583 | I | 88.3 | Confident | 83.5 | Confident | 18 Ų | 18 | 46.9 Ų | 46.9 | 9% | 0.092 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.4 | -50.9 | 173.5 | -69.9 | 170.8 | 0 | 0 | 0 | 110.3 | I579 G580 L585 Y586 E587 L609 A612 I616 | I579-I583 PolarHBondContact O-N 3.25Å; G580-I583 PolarHBondContact O-N 3.35Å; I583-L585 PolarHBondContact O-N 3.45Å; I583-Y586 PolarHBondContact O-N 3.24Å; I583-Y586 VanDerWaalsContact O-N 3.14Å; I583-E587 HydrophobicContact CG2-CG 4.27Å; I583-E587 WeakPolarHBondContact O-CG 3.36Å; I583-E587 PolarHBondContact O-N 3.41Å; I583-L609 HydrophobicContact CB-CD2 4.49Å; I583-L609 HydrophobicContact CG2-CD2 4.04Å; I583-A612 HydrophobicContact CG1-CB 3.88Å; I583-I616 HydrophobicContact CD1-CD1 3.3Å; I583-I616 HydrophobicContact CG1-CD1 4.32Å |
| 584 | E | 87.2 | Confident | 84 | Confident | 113 Ų | 113 | 49.4 Ų | 49.4 | 53% | 0.528 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -56.3 | -38.7 | 178.8 | -66.9 | 178.7 | -172.1 | 0 | 0 | 112.6 | G580 K581 K588 | G580-E584 PolarHBondContact O-N 2.98Å; K581-E584 PolarHBondContact O-N 3.11Å; E584-K588 WeakPolarHBondContact O-CG 3.45Å; E584-K588 PolarHBondContact O-N 3.1Å |
| 585 | L | 89.7 | Confident | 84.2 | Confident | 22 Ų | 22 | 53.1 Ų | 53.1 | 12% | 0.115 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -73.2 | -39.3 | 178.5 | -70.8 | 169.8 | 0 | 0 | 0 | 112.4 | Y566 L569 A570 H573 K581 A582 I583 K588 H589 | Y566-L585 HydrophobicContact CD1-CD2 3.77Å; Y566-L585 HydrophobicContact CE1-CD2 4.33Å; L569-L585 HydrophobicContact CB-CD1 3.83Å; A570-L585 HydrophobicContact CB-CB 3.81Å; A570-L585 HydrophobicContact CB-CD1 4.42Å; H573-L585 VanDerWaalsContact CD2-CD1 3.44Å; H573-L585 WeakPolarHBondContact CD2-CD1 3.42Å; K581-L585 WeakPolarHBondContact O-CG 3.35Å; K581-L585 PolarHBondContact O-N 3.35Å; A582-L585 PolarHBondContact O-N 3.09Å; I583-L585 PolarHBondContact O-N 3.45Å; L585-K588 WeakPolarHBondContact O-CB 3.12Å; L585-K588 PolarHBondContact O-N 2.76Å; L585-H589 PolarHBondContact O-N 2.96Å |
| 586 | Y | 92.5 | Very high | 84.5 | Confident | 7 Ų | 7 | 53 Ų | 53 | 3% | 0.027 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.4 | -32.5 | 174.3 | -72.5 | -47.4 | 0 | 0 | 0 | 112.7 | K567 A570 E571 I574 A582 I583 K588 H589 L590 L609 | K567-Y586 HydrophobicContact CG-CE1 4.14Å; A570-Y586 HydrophobicContact CB-CD1 3.58Å; A570-Y586 HydrophobicContact CB-CD2 3.97Å; A570-Y586 HydrophobicContact CB-CE1 3.38Å; A570-Y586 HydrophobicContact CB-CE2 3.8Å; A570-Y586 HydrophobicContact CB-CG 3.86Å; A570-Y586 VanDerWaalsContact CB-CZ 3.48Å; E571-Y586 WeakPolarHBondContact CG-OH 3.26Å; I574-Y586 HydrophobicContact CD1-CE2 3.58Å; I574-Y586 WeakPolarHBondContact CD1-OH 3.5Å; A582-Y586 HydrophobicContact CB-CE2 4.5Å; A582-Y586 VanDerWaalsContact O-CD2 3.25Å; A582-Y586 WeakPolarHBondContact O-CD2 3.31Å; A582-Y586 PolarHBondContact O-N 3.27Å; I583-Y586 PolarHBondContact O-N 3.24Å; I583-Y586 VanDerWaalsContact O-N 3.14Å; Y586-K588 VanDerWaalsContact C-N 3.33Å; Y586-H589 WeakPolarHBondContact O-CB 3.43Å; Y586-H589 PolarHBondContact O-N 3.02Å; Y586-L590 WeakPolarHBondContact O-CB 3.39Å; Y586-L590 PolarHBondContact O-N 2.72Å; Y586-L609 VanDerWaalsContact CB-CD2 3.47Å; Y586-L609 HydrophobicContact CD2-CD2 4.48Å; Y586-L609 HydrophobicContact CG-CD2 4.46Å; Y586-L609 HydrophobicContact CG-CG 4.46Å |
| 587 | E | 91.2 | Very high | 84.9 | Confident | 89 Ų | 89 | 51.1 Ų | 51.1 | 42% | 0.416 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.3 | -40.6 | 171.7 | -74.2 | -179.5 | 159.2 | 0 | 0 | 111.2 | I583 L590 M591 L609 | I583-E587 HydrophobicContact CG2-CG 4.27Å; I583-E587 WeakPolarHBondContact O-CG 3.36Å; I583-E587 PolarHBondContact O-N 3.41Å; E587-L590 PolarHBondContact O-N 3.19Å; E587-M591 WeakPolarHBondContact O-CB 3.44Å; E587-M591 PolarHBondContact O-N 2.95Å; E587-L609 HydrophobicContact CG-CD1 4.46Å; E587-L609 HydrophobicContact CG-CD2 4.05Å |
| 588 | K | 91.1 | Very high | 85.6 | Confident | 89 Ų | 89 | 54.2 Ų | 54.2 | 39% | 0.387 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.8 | -40.7 | 172 | -69.6 | 171.7 | -174.7 | 174 | 0 | 112.4 | Y566 E584 L585 Y586 M591 I592 | Y566-K588 HydrophobicContact CD2-CB 3.88Å; Y566-K588 HydrophobicContact CE1-CD 4.17Å; Y566-K588 HydrophobicContact CE2-CB 3.99Å; Y566-K588 HydrophobicContact CE2-CD 4.49Å; Y566-K588 HydrophobicContact CG-CB 4.28Å; E584-K588 WeakPolarHBondContact O-CG 3.45Å; E584-K588 PolarHBondContact O-N 3.1Å; L585-K588 WeakPolarHBondContact O-CB 3.12Å; L585-K588 PolarHBondContact O-N 2.76Å; Y586-K588 VanDerWaalsContact C-N 3.33Å; K588-M591 PolarHBondContact O-N 3.12Å; K588-I592 WeakPolarHBondContact O-CG1 3.2Å; K588-I592 PolarHBondContact O-N 3.22Å |
| 589 | H | 91.5 | Very high | 86.2 | Confident | 4 Ų | 4 | 55.9 Ų | 55.9 | 2% | 0.019 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 174.8 | 178 | 41.1 | 0 | 0 | 0 | 111.8 | G563 L585 Y586 I592 A593 | G563-H589 WeakPolarHBondContact CA-ND1 3.35Å; G563-H589 PolarHBondContact O-ND1 3.3Å; G563-H589 VanDerWaalsContact O-ND1 3.1Å; L585-H589 PolarHBondContact O-N 2.96Å; Y586-H589 WeakPolarHBondContact O-CB 3.43Å; Y586-H589 PolarHBondContact O-N 3.02Å; H589-I592 PolarHBondContact O-N 2.97Å; H589-A593 PolarHBondContact O-N 3.48Å |
| 590 | L | 92.4 | Very high | 86.6 | Confident | 15 Ų | 15 | 61.9 Ų | 61.9 | 8% | 0.079 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.9 | -45 | 176.3 | -179.1 | 63.8 | 0 | 0 | 0 | 111.6 | Y586 E587 I592 A593 Q594 E602 A605 L609 Y625 | Y586-L590 WeakPolarHBondContact O-CB 3.39Å; Y586-L590 PolarHBondContact O-N 2.72Å; E587-L590 PolarHBondContact O-N 3.19Å; L590-I592 PolarHBondContact O-N 3.18Å; L590-A593 PolarHBondContact O-N 3.29Å; L590-Q594 HydrophobicContact CD1-CG 4.41Å; L590-Q594 WeakPolarHBondContact O-CG 3.22Å; L590-Q594 PolarHBondContact O-N 2.96Å; L590-E602 HydrophobicContact CD1-CG 3.66Å; L590-A605 HydrophobicContact CB-CB 3.93Å; L590-A605 HydrophobicContact CD1-CB 3.97Å; L590-L609 HydrophobicContact CB-CD1 4.26Å; L590-L609 HydrophobicContact CD2-CD1 3.85Å; L590-Y625 HydrophobicContact CD2-CE1 4.15Å |
| 591 | M | 89.2 | Confident | 87.1 | Confident | 99 Ų | 99 | 62.2 Ų | 62.2 | 49% | 0.488 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -57.5 | -47.8 | 177.7 | -171.9 | -175 | 78.4 | 0 | 0 | 111.6 | E587 K588 A593 Q594 E595 | E587-M591 WeakPolarHBondContact O-CB 3.44Å; E587-M591 PolarHBondContact O-N 2.95Å; K588-M591 PolarHBondContact O-N 3.12Å; M591-A593 PolarHBondContact O-N 3.15Å; M591-Q594 PolarHBondContact O-N 3.36Å; M591-E595 WeakPolarHBondContact O-CG 3.4Å; M591-E595 PolarHBondContact O-N 2.98Å |
| 592 | I | 88 | Confident | 87.7 | Confident | 8 Ų | 8 | 58.1 Ų | 58.1 | 4% | 0.041 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.4 | -42.2 | 177.6 | -69.9 | 175.2 | 0 | 0 | 0 | 111.6 | Q559 K562 Y566 K588 H589 L590 Q594 E595 L596 | Q559-I592 HydrophobicContact CB-CG2 4.35Å; Q559-I592 VanDerWaalsContact O-CG2 3.28Å; Q559-I592 WeakPolarHBondContact O-CG2 3.46Å; K562-I592 HydrophobicContact CB-CD1 3.74Å; Y566-I592 HydrophobicContact CD2-CD1 3.87Å; Y566-I592 HydrophobicContact CE2-CD1 3.69Å; K588-I592 WeakPolarHBondContact O-CG1 3.2Å; K588-I592 PolarHBondContact O-N 3.22Å; H589-I592 PolarHBondContact O-N 2.97Å; L590-I592 PolarHBondContact O-N 3.18Å; I592-Q594 VanDerWaalsContact C-N 3.3Å; I592-Q594 PolarHBondContact O-N 3.45Å; I592-E595 PolarHBondContact O-N 3.37Å; I592-L596 HydrophobicContact CG2-CD1 3.86Å; I592-L596 HydrophobicContact CG2-CG 4.43Å; I592-L596 WeakPolarHBondContact O-CG 3.49Å; I592-L596 PolarHBondContact O-N 2.9Å |
| 593 | A | 88.1 | Confident | 87.9 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.008 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | H589 L590 M591 N597 Y598 D601 E602 | H589-A593 PolarHBondContact O-N 3.48Å; L590-A593 PolarHBondContact O-N 3.29Å; M591-A593 PolarHBondContact O-N 3.15Å; A593-N597 PolarHBondContact O-N 2.92Å; A593-N597 VanDerWaalsContact O-N 3.13Å; A593-Y598 PolarHBondContact O-N 3.17Å; A593-D601 HydrophobicContact CB-CB 3.81Å; A593-E602 HydrophobicContact CB-CB 4.13Å |
| 594 | Q | 88.8 | Confident | 87.9 | Confident | 85 Ų | 85 | 60.2 Ų | 60.2 | 40% | 0.397 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -70.2 | -41.8 | 176.6 | -70.3 | 179.5 | -22.4 | 0 | 0 | 112.3 | L590 M591 I592 L596 N597 E602 | L590-Q594 HydrophobicContact CD1-CG 4.41Å; L590-Q594 WeakPolarHBondContact O-CG 3.22Å; L590-Q594 PolarHBondContact O-N 2.96Å; M591-Q594 PolarHBondContact O-N 3.36Å; I592-Q594 VanDerWaalsContact C-N 3.3Å; I592-Q594 PolarHBondContact O-N 3.45Å; Q594-L596 VanDerWaalsContact C-N 3.29Å; Q594-L596 PolarHBondContact O-N 3.45Å; Q594-N597 PolarHBondContact O-N 3.24Å; Q594-E602 HydrophobicContact CG-CG 4.01Å; Q594-E602 PolarHBondContact NE2-OE1 2.93Å |
| 595 | E | 84.9 | Confident | 88 | Confident | 117 Ų | 117 | 54.9 Ų | 54.9 | 55% | 0.547 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.7 | -37.7 | 175.9 | -76.6 | 176.9 | -176.7 | 0 | 0 | 112.7 | M591 I592 | M591-E595 WeakPolarHBondContact O-CG 3.4Å; M591-E595 PolarHBondContact O-N 2.98Å; I592-E595 PolarHBondContact O-N 3.37Å |
| 596 | L | 82.7 | Confident | 88.1 | Confident | 53 Ų | 53 | 53.8 Ų | 53.8 | 28% | 0.277 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -3.2 | 179.9 | -60.4 | 177.7 | 0 | 0 | 0 | 113.9 | Q559 K560 I592 Q594 Y598 | Q559-L596 HydrophobicContact CB-CD1 3.72Å; Q559-L596 HydrophobicContact CB-CD2 4.03Å; Q559-L596 HydrophobicContact CB-CG 4.25Å; K560-L596 HydrophobicContact CB-CD1 4.39Å; I592-L596 HydrophobicContact CG2-CD1 3.86Å; I592-L596 HydrophobicContact CG2-CG 4.43Å; I592-L596 WeakPolarHBondContact O-CG 3.49Å; I592-L596 PolarHBondContact O-N 2.9Å; Q594-L596 VanDerWaalsContact C-N 3.29Å; Q594-L596 PolarHBondContact O-N 3.45Å; L596-Y598 VanDerWaalsContact C-N 3.28Å; L596-Y598 HydrophobicContact CB-CD1 4.01Å; L596-Y598 HydrophobicContact CB-CD2 3.75Å; L596-Y598 HydrophobicContact CB-CE1 3.98Å; L596-Y598 HydrophobicContact CB-CE2 3.72Å; L596-Y598 HydrophobicContact CB-CG 3.89Å; L596-Y598 HydrophobicContact CD1-CD2 3.8Å; L596-Y598 HydrophobicContact CD1-CE2 3.32Å; L596-Y598 HydrophobicContact CG-CD2 4.46Å; L596-Y598 HydrophobicContact CG-CE2 4.14Å; L596-Y598 WeakPolarHBondContact O-CD1 3.34Å; L596-Y598 PolarHBondContact O-N 2.92Å |
| 597 | N | 82.8 | Confident | 88.2 | Confident | 136 Ų | 136 | 55.9 Ų | 55.9 | 73% | 0.727 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 39.8 | -170.5 | -63.8 | -62 | 0 | 0 | 0 | 113.5 | A593 Q594 I599 | A593-N597 PolarHBondContact O-N 2.92Å; A593-N597 VanDerWaalsContact O-N 3.13Å; Q594-N597 PolarHBondContact O-N 3.24Å; N597-I599 PolarHBondContact O-N 3.4Å |
| 598 | Y | 83.7 | Confident | 88.2 | Confident | 89 Ų | 89 | 52.4 Ų | 52.4 | 35% | 0.349 | 25% | 0.254 | S | S | . | . | trans | -89.7 | 88.4 | 176.4 | -66.9 | -14.5 | 0 | 0 | 0 | 111 | K560 A593 L596 E600 D601 E602 | K560-Y598 HydrophobicContact CB-CE2 3.92Å; K560-Y598 HydrophobicContact CD-CE2 3.77Å; K560-Y598 HydrophobicContact CG-CD2 4.39Å; K560-Y598 HydrophobicContact CG-CE2 3.76Å; A593-Y598 PolarHBondContact O-N 3.17Å; L596-Y598 VanDerWaalsContact C-N 3.28Å; L596-Y598 HydrophobicContact CB-CD1 4.01Å; L596-Y598 HydrophobicContact CB-CD2 3.75Å; L596-Y598 HydrophobicContact CB-CE1 3.98Å; L596-Y598 HydrophobicContact CB-CE2 3.72Å; L596-Y598 HydrophobicContact CB-CG 3.89Å; L596-Y598 HydrophobicContact CD1-CD2 3.8Å; L596-Y598 HydrophobicContact CD1-CE2 3.32Å; L596-Y598 HydrophobicContact CG-CD2 4.46Å; L596-Y598 HydrophobicContact CG-CE2 4.14Å; L596-Y598 WeakPolarHBondContact O-CD1 3.34Å; L596-Y598 PolarHBondContact O-N 2.92Å; Y598-E600 VanDerWaalsContact C-N 3.31Å; Y598-E600 PolarHBondContact O-N 2.95Å; Y598-D601 PolarHBondContact O-N 2.89Å; Y598-D601 VanDerWaalsContact O-N 3.13Å; Y598-E602 PolarHBondContact O-N 3.19Å | ||
| 599 | I | 85.8 | Confident | 88.2 | Confident | 75 Ų | 75 | 48.2 Ų | 48.2 | 39% | 0.385 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -57.5 | -39.3 | -173.8 | -54.3 | 175.7 | 0 | 0 | 0 | 112.5 | N597 M603 I632 L636 | N597-I599 PolarHBondContact O-N 3.4Å; I599-M603 WeakPolarHBondContact O-CB 3.44Å; I599-M603 PolarHBondContact O-N 3.48Å; I599-I632 HydrophobicContact CG2-CG2 3.43Å; I599-I632 VanDerWaalsContact CG2-CG2 3.43Å; I599-L636 HydrophobicContact CB-CD2 4.44Å; I599-L636 HydrophobicContact CG2-CD1 4.11Å; I599-L636 HydrophobicContact CG2-CD2 3.85Å; I599-L636 HydrophobicContact CG2-CG 3.98Å |
| 600 | E | 84.2 | Confident | 88.1 | Confident | 134 Ų | 134 | 48 Ų | 48 | 63% | 0.626 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -68.1 | -39.8 | 178.1 | -68.4 | -175.4 | 175.2 | 0 | 0 | 112.6 | Y598 M603 N604 L636 | Y598-E600 VanDerWaalsContact C-N 3.31Å; Y598-E600 PolarHBondContact O-N 2.95Å; E600-M603 WeakPolarHBondContact O-CB 3.38Å; E600-M603 PolarHBondContact O-N 3Å; E600-N604 VanDerWaalsContact O-CG 3.23Å; E600-N604 PolarHBondContact O-N 2.8Å; E600-N604 PolarHBondContact O-ND2 3.24Å; E600-N604 VanDerWaalsContact O-ND2 3.11Å; E600-L636 HydrophobicContact CG-CD1 4.23Å |
| 601 | D | 84.2 | Confident | 88 | Confident | 32 Ų | 32 | 50.3 Ų | 50.3 | 17% | 0.171 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -71.4 | -37.1 | 177.9 | -69.1 | -33.2 | 0 | 0 | 0 | 110.8 | A593 Y598 M603 N604 A605 | A593-D601 HydrophobicContact CB-CB 3.81Å; Y598-D601 PolarHBondContact O-N 2.89Å; Y598-D601 VanDerWaalsContact O-N 3.13Å; D601-M603 VanDerWaalsContact C-N 3.34Å; D601-M603 PolarHBondContact O-N 2.85Å; D601-N604 PolarHBondContact O-N 2.99Å; D601-A605 WeakPolarHBondContact O-CB 3.43Å; D601-A605 PolarHBondContact O-N 3.35Å |
| 602 | E | 89.2 | Confident | 87.8 | Confident | 35 Ų | 35 | 45.6 Ų | 45.6 | 16% | 0.164 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.4 | -45 | 172.7 | -169.3 | -174.8 | 173.3 | 0 | 0 | 110.9 | L590 A593 Q594 Y598 N604 A605 C606 Q628 I632 | L590-E602 HydrophobicContact CD1-CG 3.66Å; A593-E602 HydrophobicContact CB-CB 4.13Å; Q594-E602 HydrophobicContact CG-CG 4.01Å; Q594-E602 PolarHBondContact NE2-OE1 2.93Å; Y598-E602 PolarHBondContact O-N 3.19Å; E602-N604 PolarHBondContact O-N 2.83Å; E602-A605 PolarHBondContact O-N 2.92Å; E602-C606 WeakPolarHBondContact O-CB 3.44Å; E602-C606 PolarHBondContact O-N 3.08Å; E602-C606 PolarHBondContact O-SG 2.99Å; E602-Q628 PolarHBondContact OE1-NE2 3.15Å; E602-I632 HydrophobicContact CB-CD1 4.17Å; E602-I632 HydrophobicContact CG-CD1 3.65Å |
| 603 | M | 90.6 | Very high | 87.6 | Confident | 15 Ų | 15 | 45.7 Ų | 45.7 | 7% | 0.074 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.9 | -48.1 | 175.9 | -169.6 | -175.7 | 66.8 | 0 | 0 | 111.6 | I599 E600 D601 C606 Q607 F629 I632 A633 L636 | I599-M603 WeakPolarHBondContact O-CB 3.44Å; I599-M603 PolarHBondContact O-N 3.48Å; E600-M603 WeakPolarHBondContact O-CB 3.38Å; E600-M603 PolarHBondContact O-N 3Å; D601-M603 VanDerWaalsContact C-N 3.34Å; D601-M603 PolarHBondContact O-N 2.85Å; M603-C606 PolarHBondContact O-N 3.46Å; M603-Q607 PolarHBondContact O-N 3.45Å; M603-F629 HydrophobicContact CG-CD2 3.39Å; M603-F629 HydrophobicContact CG-CE2 3.45Å; M603-F629 VanDerWaalsContact CG-CE2 3.45Å; M603-F629 WeakPolarHBondContact O-CD2 3.44Å; M603-F629 HydrophobicContact SD-CD2 4.38Å; M603-F629 HydrophobicContact SD-CE2 3.96Å; M603-I632 HydrophobicContact CB-CB 4.35Å; M603-I632 HydrophobicContact CB-CG2 3.71Å; M603-I632 HydrophobicContact CG-CB 4.39Å; M603-I632 HydrophobicContact CG-CG2 4.08Å; M603-A633 HydrophobicContact SD-CB 4.1Å; M603-L636 HydrophobicContact CE-CD1 4.37Å; M603-L636 HydrophobicContact SD-CD1 3.85Å |
| 604 | N | 88.2 | Confident | 87.4 | Confident | 47 Ų | 47 | 48.1 Ų | 48.1 | 25% | 0.251 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.4 | -40.4 | 180 | -69 | -33.2 | 0 | 0 | 0 | 112.3 | E600 D601 E602 Q607 S608 | E600-N604 VanDerWaalsContact O-CG 3.23Å; E600-N604 PolarHBondContact O-N 2.8Å; E600-N604 PolarHBondContact O-ND2 3.24Å; E600-N604 VanDerWaalsContact O-ND2 3.11Å; D601-N604 PolarHBondContact O-N 2.99Å; E602-N604 PolarHBondContact O-N 2.83Å; N604-Q607 PolarHBondContact O-N 2.94Å; N604-S608 WeakPolarHBondContact O-CB 3.5Å; N604-S608 PolarHBondContact O-N 2.94Å; N604-S608 PolarHBondContact O-OG 3.18Å |
| 605 | A | 90.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.3 | -44.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L590 D601 E602 Q607 S608 L609 | L590-A605 HydrophobicContact CB-CB 3.93Å; L590-A605 HydrophobicContact CD1-CB 3.97Å; D601-A605 WeakPolarHBondContact O-CB 3.43Å; D601-A605 PolarHBondContact O-N 3.35Å; E602-A605 PolarHBondContact O-N 2.92Å; A605-Q607 PolarHBondContact O-N 2.88Å; A605-S608 PolarHBondContact O-N 3.48Å; A605-L609 WeakPolarHBondContact O-CB 3.41Å; A605-L609 WeakPolarHBondContact O-CG 3.47Å; A605-L609 PolarHBondContact O-N 2.99Å |
| 606 | C | 91.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.3 | -42.4 | 176.5 | -67.7 | 0 | 0 | 0 | 0 | 112.3 | E602 M603 G610 F629 | E602-C606 WeakPolarHBondContact O-CB 3.44Å; E602-C606 PolarHBondContact O-N 3.08Å; E602-C606 PolarHBondContact O-SG 2.99Å; M603-C606 PolarHBondContact O-N 3.46Å; C606-G610 PolarHBondContact O-N 3.41Å; C606-F629 HydrophobicContact CB-CB 4.04Å |
| 607 | Q | 93.1 | Very high | 85.9 | Confident | 50 Ų | 50 | 44 Ų | 44 | 23% | 0.234 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.3 | -49.1 | 175 | -175.4 | -170.8 | -21.6 | 0 | 0 | 110.9 | M603 N604 A605 G610 E611 F629 | M603-Q607 PolarHBondContact O-N 3.45Å; N604-Q607 PolarHBondContact O-N 2.94Å; A605-Q607 PolarHBondContact O-N 2.88Å; Q607-G610 PolarHBondContact O-N 3Å; Q607-E611 PolarHBondContact NE2-OE1 3.08Å; Q607-E611 WeakPolarHBondContact O-CG 3.42Å; Q607-E611 PolarHBondContact O-N 3.42Å; Q607-F629 HydrophobicContact CB-CD1 4.41Å; Q607-F629 HydrophobicContact CB-CD2 3.95Å; Q607-F629 HydrophobicContact CB-CE1 4.42Å; Q607-F629 HydrophobicContact CB-CE2 3.98Å; Q607-F629 HydrophobicContact CB-CG 4.19Å; Q607-F629 HydrophobicContact CB-CZ 4.22Å; Q607-F629 HydrophobicContact CG-CE1 4.19Å; Q607-F629 HydrophobicContact CG-CE2 4.4Å; Q607-F629 HydrophobicContact CG-CZ 4.14Å |
| 608 | S | 91.2 | Very high | 85.6 | Confident | 17 Ų | 17 | 40.3 Ų | 40.3 | 12% | 0.119 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.3 | -40.4 | -175.9 | -52 | 0 | 0 | 0 | 0 | 112.3 | N604 A605 E611 A612 | N604-S608 WeakPolarHBondContact O-CB 3.5Å; N604-S608 PolarHBondContact O-N 2.94Å; N604-S608 PolarHBondContact O-OG 3.18Å; A605-S608 PolarHBondContact O-N 3.48Å; S608-E611 PolarHBondContact O-N 3.38Å; S608-A612 WeakPolarHBondContact O-CB 3.38Å; S608-A612 PolarHBondContact O-N 3.48Å |
| 609 | L | 91.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.4 | -46.6 | 172.2 | -78 | 165.3 | 0 | 0 | 0 | 111.4 | I583 Y586 E587 L590 A605 E611 A612 H613 Y625 | I583-L609 HydrophobicContact CB-CD2 4.49Å; I583-L609 HydrophobicContact CG2-CD2 4.04Å; Y586-L609 VanDerWaalsContact CB-CD2 3.47Å; Y586-L609 HydrophobicContact CD2-CD2 4.48Å; Y586-L609 HydrophobicContact CG-CD2 4.46Å; Y586-L609 HydrophobicContact CG-CG 4.46Å; E587-L609 HydrophobicContact CG-CD1 4.46Å; E587-L609 HydrophobicContact CG-CD2 4.05Å; L590-L609 HydrophobicContact CB-CD1 4.26Å; L590-L609 HydrophobicContact CD2-CD1 3.85Å; A605-L609 WeakPolarHBondContact O-CB 3.41Å; A605-L609 WeakPolarHBondContact O-CG 3.47Å; A605-L609 PolarHBondContact O-N 2.99Å; L609-E611 VanDerWaalsContact C-N 3.31Å; L609-E611 PolarHBondContact O-N 3.29Å; L609-A612 PolarHBondContact O-N 3Å; L609-H613 PolarHBondContact O-CD2 3.49Å; L609-H613 PolarHBondContact O-N 3.39Å; L609-Y625 HydrophobicContact CB-CD1 3.83Å; L609-Y625 HydrophobicContact CB-CD2 4.02Å; L609-Y625 HydrophobicContact CB-CE1 4.07Å; L609-Y625 HydrophobicContact CB-CE2 4.27Å; L609-Y625 HydrophobicContact CB-CG 3.8Å; L609-Y625 HydrophobicContact CD1-CD1 3.96Å; L609-Y625 HydrophobicContact CD1-CE1 3.56Å; L609-Y625 HydrophobicContact CG-CE1 4.34Å |
| 610 | G | 90.6 | Very high | 85.3 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -55.7 | -46.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | C606 Q607 F614 A622 F626 | C606-G610 PolarHBondContact O-N 3.41Å; Q607-G610 PolarHBondContact O-N 3Å; G610-F614 VanDerWaalsContact O-CB 3.24Å; G610-F614 WeakPolarHBondContact O-CB 3.49Å; G610-F614 PolarHBondContact O-N 3.5Å; G610-A622 WeakPolarHBondContact O-CB 3.37Å; G610-F626 VanDerWaalsContact O-CZ 3.32Å; G610-F626 WeakPolarHBondContact O-CZ 3.1Å |
| 611 | E | 88.8 | Confident | 85.2 | Confident | 63 Ų | 63 | 39.9 Ų | 39.9 | 29% | 0.294 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -65.9 | -39.1 | 176.6 | -70.8 | 178.9 | -160.9 | 0 | 0 | 112.8 | Q607 S608 L609 F614 K615 F626 | Q607-E611 PolarHBondContact NE2-OE1 3.08Å; Q607-E611 WeakPolarHBondContact O-CG 3.42Å; Q607-E611 PolarHBondContact O-N 3.42Å; S608-E611 PolarHBondContact O-N 3.38Å; L609-E611 VanDerWaalsContact C-N 3.31Å; L609-E611 PolarHBondContact O-N 3.29Å; E611-F614 PolarHBondContact O-N 3.38Å; E611-K615 WeakPolarHBondContact O-CG 3.4Å; E611-K615 PolarHBondContact O-N 3.19Å; E611-F626 HydrophobicContact CG-CE1 4.17Å; E611-F626 HydrophobicContact CG-CZ 4.23Å |
| 612 | A | 85.2 | Confident | 85.4 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.008 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.9 | -47.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | I579 I583 S608 L609 F614 K615 I616 | I579-A612 HydrophobicContact CG2-CB 3.94Å; I583-A612 HydrophobicContact CG1-CB 3.88Å; S608-A612 WeakPolarHBondContact O-CB 3.38Å; S608-A612 PolarHBondContact O-N 3.48Å; L609-A612 PolarHBondContact O-N 3Å; A612-F614 VanDerWaalsContact C-N 3.31Å; A612-F614 PolarHBondContact O-N 3.4Å; A612-K615 PolarHBondContact O-N 3.02Å; A612-I616 PolarHBondContact O-N 2.99Å; A612-I616 VanDerWaalsContact O-N 3.1Å |
| 613 | H | 84 | Confident | 85.4 | Confident | 9 Ų | 9 | 38.2 Ų | 38.2 | 4% | 0.042 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.8 | -36.4 | 174.6 | -77.8 | -80.4 | 0 | 0 | 0 | 112 | L609 K615 I616 L617 H618 E621 A622 Y625 | L609-H613 PolarHBondContact O-CD2 3.49Å; L609-H613 PolarHBondContact O-N 3.39Å; H613-K615 VanDerWaalsContact C-N 3.35Å; H613-I616 PolarHBondContact O-N 3.29Å; H613-L617 PolarHBondContact O-N 2.92Å; H613-H618 HydrophobicContact CB-CB 4.28Å; H613-H618 PolarHBondContact O-N 3.19Å; H613-E621 HydrophobicContact CB-CB 4.28Å; H613-E621 IonicContact CE1-OE2 3.91Å; H613-E621 PolarHBondContact CE1-OE2 2.97Å; H613-E621 IonicContact ND1-OE2 3.56Å; H613-E621 PolarHBondContact ND1-OE2 3.4Å; H613-A622 HydrophobicContact CB-CB 3.97Å; H613-Y625 AromaticContact CD2-CD2 3.67Å; H613-Y625 AromaticContact CD2-CE2 3.49Å; H613-Y625 VanDerWaalsContact CD2-CE2 3.49Å; H613-Y625 WeakPolarHBondContact CD2-CE2 3.39Å; H613-Y625 AromaticContact NE2-CE2 3.41Å; H613-Y625 WeakPolarHBondContact NE2-CE2 3.31Å |
| 614 | F | 84.2 | Confident | 85.4 | Confident | 52 Ų | 52 | 46.7 Ų | 46.7 | 23% | 0.228 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62 | -42.3 | 174.7 | -171.7 | -89.3 | 0 | 0 | 0 | 111.6 | G610 E611 A612 I616 L617 Y619 A622 F626 R651 S652 L655 | G610-F614 VanDerWaalsContact O-CB 3.24Å; G610-F614 WeakPolarHBondContact O-CB 3.49Å; G610-F614 PolarHBondContact O-N 3.5Å; E611-F614 PolarHBondContact O-N 3.38Å; A612-F614 VanDerWaalsContact C-N 3.31Å; A612-F614 PolarHBondContact O-N 3.4Å; F614-I616 VanDerWaalsContact C-N 3.34Å; F614-I616 PolarHBondContact O-N 3.27Å; F614-L617 PolarHBondContact O-N 3.12Å; F614-Y619 AromaticContact CD2-CD1 3.91Å; F614-Y619 HydrophobicContact CD2-CD1 3.91Å; F614-Y619 HydrophobicContact CD2-CE1 4.14Å; F614-Y619 HydrophobicContact CE2-CD1 4.07Å; F614-Y619 HydrophobicContact CE2-CE1 4.1Å; F614-Y619 HydrophobicContact CZ-CE1 4.46Å; F614-A622 HydrophobicContact CB-CB 4.14Å; F614-F626 HydrophobicContact CB-CE2 4.32Å; F614-F626 HydrophobicContact CB-CZ 4.42Å; F614-F626 HydrophobicContact CD2-CE2 4.33Å; F614-R651 HydrophobicContact CE2-CB 3.94Å; F614-R651 HydrophobicContact CZ-CB 4.05Å; F614-S652 WeakPolarHBondContact CD2-OG 3.39Å; F614-L655 HydrophobicContact CE1-CD1 4.43Å; F614-L655 HydrophobicContact CE2-CD1 3.59Å; F614-L655 HydrophobicContact CZ-CD1 3.45Å; F614-L655 VanDerWaalsContact CZ-CD1 3.45Å |
| 615 | K | 76.5 | Confident | 85.6 | Confident | 100 Ų | 100 | 46.5 Ų | 46.5 | 44% | 0.435 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64.5 | -35.1 | 175.1 | -73.3 | 174.6 | -178.8 | 174.5 | 0 | 112.6 | I579 E611 A612 H613 L617 H840 | I579-K615 HydrophobicContact CD1-CB 3.75Å; I579-K615 HydrophobicContact CD1-CD 4.31Å; E611-K615 WeakPolarHBondContact O-CG 3.4Å; E611-K615 PolarHBondContact O-N 3.19Å; A612-K615 PolarHBondContact O-N 3.02Å; H613-K615 VanDerWaalsContact C-N 3.35Å; K615-L617 PolarHBondContact O-N 3.42Å; K615-H840 PolarHBondContact O-CE1 3.49Å |
| 616 | I | 73.8 | Confident | 85.8 | Confident | 14 Ų | 14 | 46.5 Ų | 46.5 | 7% | 0.072 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -1.8 | 176.4 | -65.8 | 159 | 0 | 0 | 0 | 113.3 | I579 I583 A612 H613 F614 H618 | I579-I616 HydrophobicContact CB-CD1 3.63Å; I579-I616 HydrophobicContact CB-CG1 3.84Å; I579-I616 HydrophobicContact CD1-CG1 4.31Å; I579-I616 HydrophobicContact CG2-CD1 3.31Å; I579-I616 HydrophobicContact CG2-CG1 3.69Å; I583-I616 HydrophobicContact CD1-CD1 3.3Å; I583-I616 HydrophobicContact CG1-CD1 4.32Å; A612-I616 PolarHBondContact O-N 2.99Å; A612-I616 VanDerWaalsContact O-N 3.1Å; H613-I616 PolarHBondContact O-N 3.29Å; F614-I616 VanDerWaalsContact C-N 3.34Å; F614-I616 PolarHBondContact O-N 3.27Å; I616-H618 PolarHBondContact O-N 3.17Å |
| 617 | L | 74.3 | Confident | 85.8 | Confident | 54 Ų | 54 | 48.9 Ų | 48.9 | 28% | 0.283 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.5 | 15.1 | -175.3 | -41 | 172.6 | 0 | 0 | 0 | 113.2 | H613 F614 K615 Y619 | H613-L617 PolarHBondContact O-N 2.92Å; F614-L617 PolarHBondContact O-N 3.12Å; K615-L617 PolarHBondContact O-N 3.42Å; L617-Y619 HydrophobicContact CB-CE2 4.15Å; L617-Y619 HydrophobicContact CD2-CE1 4.45Å; L617-Y619 WeakPolarHBondContact CD2-OH 3.29Å; L617-Y619 WeakPolarHBondContact O-CD2 3.44Å; L617-Y619 PolarHBondContact O-N 3Å |
| 618 | H | 76.1 | Confident | 85.7 | Confident | 60 Ų | 60 | 49.3 Ų | 49.3 | 28% | 0.278 | 22% | 0.223 | S | C | . | . | trans | -84.2 | 63.6 | 173.1 | -72.5 | -169.3 | 0 | 0 | 0 | 110.7 | H613 I616 R620 E621 A622 | H613-H618 HydrophobicContact CB-CB 4.28Å; H613-H618 PolarHBondContact O-N 3.19Å; I616-H618 PolarHBondContact O-N 3.17Å; H618-R620 VanDerWaalsContact C-N 3.26Å; H618-R620 PolarHBondContact O-N 2.84Å; H618-E621 HydrophobicContact CB-CB 4.36Å; H618-E621 IonicContact CG-OE2 3.57Å; H618-E621 IonicContact ND1-OE2 2.63Å; H618-E621 PolarHBondContact ND1-OE2 2.94Å; H618-E621 PolarHBondContact O-N 2.82Å; H618-E621 VanDerWaalsContact O-N 3.12Å; H618-A622 PolarHBondContact O-N 2.95Å | ||
| 619 | Y | 81.3 | Confident | 85.9 | Confident | 47 Ų | 47 | 48.5 Ų | 48.5 | 18% | 0.184 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.7 | -30.6 | -171.8 | -53.2 | -58.7 | 0 | 0 | 0 | 114 | F614 L617 A622 L623 L655 | F614-Y619 AromaticContact CD2-CD1 3.91Å; F614-Y619 HydrophobicContact CD2-CD1 3.91Å; F614-Y619 HydrophobicContact CD2-CE1 4.14Å; F614-Y619 HydrophobicContact CE2-CD1 4.07Å; F614-Y619 HydrophobicContact CE2-CE1 4.1Å; F614-Y619 HydrophobicContact CZ-CE1 4.46Å; L617-Y619 HydrophobicContact CB-CE2 4.15Å; L617-Y619 HydrophobicContact CD2-CE1 4.45Å; L617-Y619 WeakPolarHBondContact CD2-OH 3.29Å; L617-Y619 WeakPolarHBondContact O-CD2 3.44Å; L617-Y619 PolarHBondContact O-N 3Å; Y619-A622 PolarHBondContact O-N 3.18Å; Y619-L623 WeakPolarHBondContact O-CG 3.21Å; Y619-L623 PolarHBondContact O-N 3.34Å; Y619-L655 HydrophobicContact CD1-CB 4.17Å; Y619-L655 HydrophobicContact CD1-CD1 3.88Å; Y619-L655 HydrophobicContact CD2-CB 3.96Å; Y619-L655 HydrophobicContact CE1-CB 4.09Å; Y619-L655 HydrophobicContact CE1-CD1 3.28Å; Y619-L655 HydrophobicContact CE1-CG 4.26Å; Y619-L655 HydrophobicContact CE2-CB 3.86Å; Y619-L655 HydrophobicContact CE2-CD1 4.36Å; Y619-L655 HydrophobicContact CG-CB 4.09Å |
| 620 | R | 82 | Confident | 85.9 | Confident | 161 Ų | 161 | 49.3 Ų | 49.3 | 61% | 0.608 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -65.7 | -40 | 176.4 | -72.6 | -169.2 | 178.2 | 147.6 | 10.4 | 112.5 | H618 R624 L656 E882 | H618-R620 VanDerWaalsContact C-N 3.26Å; H618-R620 PolarHBondContact O-N 2.84Å; R620-R624 PolarHBondContact O-N 3.37Å; R620-L656 HydrophobicContact CG-CD1 4.18Å; R620-L656 HydrophobicContact CG-CD2 3.93Å; R620-E882 IonicContact CZ-OE1 3.51Å; R620-E882 IonicContact NH1-OE1 3.64Å; R620-E882 PolarHBondContact NH1-OE1 3.49Å; R620-E882 IonicContact NH2-OE1 2.66Å; R620-E882 PolarHBondContact NH2-OE1 3.49Å |
| 621 | E | 82.5 | Confident | 86 | Confident | 81 Ų | 81 | 51.6 Ų | 51.6 | 38% | 0.379 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -73.2 | -41.8 | 176.4 | -66.9 | 179.2 | 155.9 | 0 | 0 | 110.4 | H613 H618 L623 R624 Y625 | H613-E621 HydrophobicContact CB-CB 4.28Å; H613-E621 IonicContact CE1-OE2 3.91Å; H613-E621 PolarHBondContact CE1-OE2 2.97Å; H613-E621 IonicContact ND1-OE2 3.56Å; H613-E621 PolarHBondContact ND1-OE2 3.4Å; H618-E621 HydrophobicContact CB-CB 4.36Å; H618-E621 IonicContact CG-OE2 3.57Å; H618-E621 IonicContact ND1-OE2 2.63Å; H618-E621 PolarHBondContact ND1-OE2 2.94Å; H618-E621 PolarHBondContact O-N 2.82Å; H618-E621 VanDerWaalsContact O-N 3.12Å; E621-L623 VanDerWaalsContact C-N 3.26Å; E621-L623 PolarHBondContact O-N 2.6Å; E621-R624 WeakPolarHBondContact O-CB 3.39Å; E621-R624 PolarHBondContact O-N 3.03Å; E621-Y625 WeakPolarHBondContact O-CD2 3.43Å; E621-Y625 PolarHBondContact O-N 2.79Å |
| 622 | A | 89 | Confident | 86 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -54.4 | -42.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G610 H613 F614 H618 Y619 R624 Y625 F626 | G610-A622 WeakPolarHBondContact O-CB 3.37Å; H613-A622 HydrophobicContact CB-CB 3.97Å; F614-A622 HydrophobicContact CB-CB 4.14Å; H618-A622 PolarHBondContact O-N 2.95Å; Y619-A622 PolarHBondContact O-N 3.18Å; A622-R624 VanDerWaalsContact C-N 3.32Å; A622-R624 PolarHBondContact O-N 3.34Å; A622-Y625 PolarHBondContact O-N 3.08Å; A622-F626 HydrophobicContact CB-CD2 4.16Å; A622-F626 HydrophobicContact CB-CE2 3.87Å; A622-F626 WeakPolarHBondContact O-CB 3.43Å; A622-F626 WeakPolarHBondContact O-CD2 3.18Å; A622-F626 VanDerWaalsContact O-CG 3.31Å; A622-F626 WeakPolarHBondContact O-CG 3.49Å; A622-F626 PolarHBondContact O-N 2.78Å |
| 623 | L | 88.6 | Confident | 86.2 | Confident | 31 Ų | 31 | 48.9 Ų | 48.9 | 16% | 0.162 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.9 | -39.4 | 174.6 | -79.3 | -178.3 | 0 | 0 | 0 | 113.6 | Y619 E621 A627 L649 S652 Q653 L656 | Y619-L623 WeakPolarHBondContact O-CG 3.21Å; Y619-L623 PolarHBondContact O-N 3.34Å; E621-L623 VanDerWaalsContact C-N 3.26Å; E621-L623 PolarHBondContact O-N 2.6Å; L623-A627 VanDerWaalsContact O-CB 3.23Å; L623-A627 WeakPolarHBondContact O-CB 3.46Å; L623-A627 PolarHBondContact O-N 3.41Å; L623-L649 HydrophobicContact CD2-CD2 3.74Å; L623-S652 VanDerWaalsContact CD2-CB 3.44Å; L623-Q653 HydrophobicContact CD1-CG 4.34Å; L623-Q653 HydrophobicContact CD2-CG 3.75Å; L623-L656 HydrophobicContact CD1-CD1 3.31Å; L623-L656 HydrophobicContact CG-CD1 4.09Å |
| 624 | R | 90.5 | Very high | 86.5 | Confident | 193 Ų | 193 | 53.2 Ų | 53.2 | 73% | 0.728 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -65.1 | -49.5 | 179.8 | -67.5 | 178.3 | 68.5 | -173.2 | 0.3 | 110.6 | R620 E621 A622 A627 Q628 | R620-R624 PolarHBondContact O-N 3.37Å; E621-R624 WeakPolarHBondContact O-CB 3.39Å; E621-R624 PolarHBondContact O-N 3.03Å; A622-R624 VanDerWaalsContact C-N 3.32Å; A622-R624 PolarHBondContact O-N 3.34Å; R624-A627 PolarHBondContact O-N 2.77Å; R624-Q628 PolarHBondContact O-N 3.33Å |
| 625 | Y | 92.7 | Very high | 86.7 | Confident | 44 Ų | 44 | 57.6 Ų | 57.6 | 17% | 0.173 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.9 | -39.8 | 179.7 | -70.2 | -67.8 | 0 | 0 | 0 | 112.6 | L590 L609 H613 E621 A622 A627 Q628 F629 | L590-Y625 HydrophobicContact CD2-CE1 4.15Å; L609-Y625 HydrophobicContact CB-CD1 3.83Å; L609-Y625 HydrophobicContact CB-CD2 4.02Å; L609-Y625 HydrophobicContact CB-CE1 4.07Å; L609-Y625 HydrophobicContact CB-CE2 4.27Å; L609-Y625 HydrophobicContact CB-CG 3.8Å; L609-Y625 HydrophobicContact CD1-CD1 3.96Å; L609-Y625 HydrophobicContact CD1-CE1 3.56Å; L609-Y625 HydrophobicContact CG-CE1 4.34Å; H613-Y625 AromaticContact CD2-CD2 3.67Å; H613-Y625 AromaticContact CD2-CE2 3.49Å; H613-Y625 VanDerWaalsContact CD2-CE2 3.49Å; H613-Y625 WeakPolarHBondContact CD2-CE2 3.39Å; H613-Y625 AromaticContact NE2-CE2 3.41Å; H613-Y625 WeakPolarHBondContact NE2-CE2 3.31Å; E621-Y625 WeakPolarHBondContact O-CD2 3.43Å; E621-Y625 PolarHBondContact O-N 2.79Å; A622-Y625 PolarHBondContact O-N 3.08Å; Y625-A627 VanDerWaalsContact C-N 3.32Å; Y625-A627 PolarHBondContact O-N 3.28Å; Y625-Q628 PolarHBondContact O-N 2.9Å; Y625-F629 WeakPolarHBondContact O-CB 3.33Å; Y625-F629 PolarHBondContact O-N 3.45Å |
| 626 | F | 93.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.6 | -31.2 | 174.7 | -66.9 | -45.9 | 0 | 0 | 0 | 113 | G610 E611 F614 A622 L630 M648 L649 | G610-F626 VanDerWaalsContact O-CZ 3.32Å; G610-F626 WeakPolarHBondContact O-CZ 3.1Å; E611-F626 HydrophobicContact CG-CE1 4.17Å; E611-F626 HydrophobicContact CG-CZ 4.23Å; F614-F626 HydrophobicContact CB-CE2 4.32Å; F614-F626 HydrophobicContact CB-CZ 4.42Å; F614-F626 HydrophobicContact CD2-CE2 4.33Å; A622-F626 HydrophobicContact CB-CD2 4.16Å; A622-F626 HydrophobicContact CB-CE2 3.87Å; A622-F626 WeakPolarHBondContact O-CB 3.43Å; A622-F626 WeakPolarHBondContact O-CD2 3.18Å; A622-F626 VanDerWaalsContact O-CG 3.31Å; A622-F626 WeakPolarHBondContact O-CG 3.49Å; A622-F626 PolarHBondContact O-N 2.78Å; F626-L630 WeakPolarHBondContact O-CB 3.49Å; F626-L630 PolarHBondContact O-N 3.11Å; F626-M648 HydrophobicContact CD1-CB 3.79Å; F626-M648 HydrophobicContact CD1-CG 4.44Å; F626-M648 HydrophobicContact CD2-CB 3.85Å; F626-M648 HydrophobicContact CE1-CB 3.64Å; F626-M648 HydrophobicContact CE1-CG 3.95Å; F626-M648 HydrophobicContact CE2-CB 3.71Å; F626-M648 HydrophobicContact CG-CB 3.91Å; F626-M648 HydrophobicContact CZ-CB 3.6Å; F626-M648 HydrophobicContact CZ-CG 4.03Å; F626-L649 HydrophobicContact CB-CD2 3.55Å; F626-L649 HydrophobicContact CB-CG 3.74Å |
| 627 | A | 92.2 | Very high | 87.7 | Confident | 49 Ų | 49 | 65.1 Ų | 65.1 | 41% | 0.405 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -69.3 | -39 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L623 R624 Y625 L630 A631 L649 | L623-A627 VanDerWaalsContact O-CB 3.23Å; L623-A627 WeakPolarHBondContact O-CB 3.46Å; L623-A627 PolarHBondContact O-N 3.41Å; R624-A627 PolarHBondContact O-N 2.77Å; Y625-A627 VanDerWaalsContact C-N 3.32Å; Y625-A627 PolarHBondContact O-N 3.28Å; A627-L630 PolarHBondContact O-N 3.46Å; A627-A631 PolarHBondContact O-N 3.31Å; A627-L649 HydrophobicContact CB-CD2 4.39Å |
| 628 | Q | 92.3 | Very high | 88 | Confident | 59 Ų | 59 | 65.1 Ų | 65.1 | 28% | 0.276 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.4 | -45.7 | 172.5 | -173.1 | 176 | -2.9 | 0 | 0 | 111.4 | E602 R624 Y625 L630 A631 I632 | E602-Q628 PolarHBondContact OE1-NE2 3.15Å; R624-Q628 PolarHBondContact O-N 3.33Å; Y625-Q628 PolarHBondContact O-N 2.9Å; Q628-L630 VanDerWaalsContact C-N 3.28Å; Q628-L630 PolarHBondContact O-N 3.19Å; Q628-A631 WeakPolarHBondContact O-CB 3.45Å; Q628-A631 PolarHBondContact O-N 3.04Å; Q628-I632 HydrophobicContact CG-CD1 4.04Å; Q628-I632 WeakPolarHBondContact O-CG1 3.41Å; Q628-I632 PolarHBondContact O-N 3.48Å |
| 629 | F | 93.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -54.5 | -43.5 | 172.9 | 172.3 | -126.8 | 0 | 0 | 0 | 111.9 | M603 C606 Q607 Y625 A633 V644 A645 | M603-F629 HydrophobicContact CG-CD2 3.39Å; M603-F629 HydrophobicContact CG-CE2 3.45Å; M603-F629 VanDerWaalsContact CG-CE2 3.45Å; M603-F629 WeakPolarHBondContact O-CD2 3.44Å; M603-F629 HydrophobicContact SD-CD2 4.38Å; M603-F629 HydrophobicContact SD-CE2 3.96Å; C606-F629 HydrophobicContact CB-CB 4.04Å; Q607-F629 HydrophobicContact CB-CD1 4.41Å; Q607-F629 HydrophobicContact CB-CD2 3.95Å; Q607-F629 HydrophobicContact CB-CE1 4.42Å; Q607-F629 HydrophobicContact CB-CE2 3.98Å; Q607-F629 HydrophobicContact CB-CG 4.19Å; Q607-F629 HydrophobicContact CB-CZ 4.22Å; Q607-F629 HydrophobicContact CG-CE1 4.19Å; Q607-F629 HydrophobicContact CG-CE2 4.4Å; Q607-F629 HydrophobicContact CG-CZ 4.14Å; Y625-F629 WeakPolarHBondContact O-CB 3.33Å; Y625-F629 PolarHBondContact O-N 3.45Å; F629-A633 VanDerWaalsContact O-CB 3.28Å; F629-A633 WeakPolarHBondContact O-CB 3.3Å; F629-A633 PolarHBondContact O-N 2.93Å; F629-V644 HydrophobicContact CE1-CB 4.46Å; F629-V644 HydrophobicContact CE1-CG1 4.32Å; F629-A645 HydrophobicContact CD1-CB 3.36Å; F629-A645 HydrophobicContact CE1-CB 3.48Å; F629-A645 VanDerWaalsContact CE1-CB 3.48Å; F629-A645 HydrophobicContact CG-CB 4.33Å; F629-A645 HydrophobicContact CZ-CB 4.49Å |
| 630 | L | 92.4 | Very high | 88.5 | Confident | 17 Ų | 17 | 72.1 Ų | 72.1 | 9% | 0.089 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.7 | -40.7 | 175.5 | 180 | 65.4 | 0 | 0 | 0 | 112.8 | F626 A627 Q628 K634 I642 A645 Y646 L649 | F626-L630 WeakPolarHBondContact O-CB 3.49Å; F626-L630 PolarHBondContact O-N 3.11Å; A627-L630 PolarHBondContact O-N 3.46Å; Q628-L630 VanDerWaalsContact C-N 3.28Å; Q628-L630 PolarHBondContact O-N 3.19Å; L630-K634 HydrophobicContact CG-CD 4.39Å; L630-K634 WeakPolarHBondContact O-CG 3.46Å; L630-K634 PolarHBondContact O-N 3.21Å; L630-K634 VanDerWaalsContact O-N 3.13Å; L630-I642 HydrophobicContact CD1-CG2 4.07Å; L630-A645 HydrophobicContact CB-CB 3.89Å; L630-A645 HydrophobicContact CD1-CB 3.88Å; L630-A645 HydrophobicContact CG-CB 4.48Å; L630-Y646 HydrophobicContact CD1-CD2 3.84Å; L630-Y646 HydrophobicContact CD1-CE1 4.34Å; L630-Y646 HydrophobicContact CD1-CE2 3.59Å; L630-Y646 HydrophobicContact CD1-CG 4.31Å; L630-Y646 HydrophobicContact CD2-CD1 4.16Å; L630-Y646 HydrophobicContact CD2-CE1 3.64Å; L630-Y646 HydrophobicContact CD2-CE2 4.32Å; L630-L649 HydrophobicContact CB-CD1 4.25Å; L630-L649 HydrophobicContact CD2-CD1 3.74Å |
| 631 | A | 91.8 | Very high | 88.7 | Confident | 48 Ų | 48 | 65.2 Ų | 65.2 | 40% | 0.397 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.5 | -48.9 | 179 | 0 | 0 | 0 | 0 | 0 | 110.8 | A627 Q628 K634 E635 | A627-A631 PolarHBondContact O-N 3.31Å; Q628-A631 WeakPolarHBondContact O-CB 3.45Å; Q628-A631 PolarHBondContact O-N 3.04Å; A631-K634 WeakPolarHBondContact O-CB 3.44Å; A631-K634 PolarHBondContact O-N 3.47Å; A631-E635 PolarHBondContact O-N 3.22Å; A631-E635 VanDerWaalsContact O-N 3.16Å |
| 632 | I | 90 | Very high | 89.1 | Confident | 8 Ų | 8 | 62.1 Ų | 62.1 | 4% | 0.041 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.1 | -43.6 | 179.5 | -60 | 165.7 | 0 | 0 | 0 | 111.2 | I599 E602 M603 Q628 K634 E635 L636 | I599-I632 HydrophobicContact CG2-CG2 3.43Å; I599-I632 VanDerWaalsContact CG2-CG2 3.43Å; E602-I632 HydrophobicContact CB-CD1 4.17Å; E602-I632 HydrophobicContact CG-CD1 3.65Å; M603-I632 HydrophobicContact CB-CB 4.35Å; M603-I632 HydrophobicContact CB-CG2 3.71Å; M603-I632 HydrophobicContact CG-CB 4.39Å; M603-I632 HydrophobicContact CG-CG2 4.08Å; Q628-I632 HydrophobicContact CG-CD1 4.04Å; Q628-I632 WeakPolarHBondContact O-CG1 3.41Å; Q628-I632 PolarHBondContact O-N 3.48Å; I632-K634 PolarHBondContact O-N 3.34Å; I632-E635 WeakPolarHBondContact O-CB 3.44Å; I632-E635 PolarHBondContact O-N 3.44Å; I632-L636 HydrophobicContact CG2-CD1 4.18Å; I632-L636 HydrophobicContact CG2-CG 4.48Å; I632-L636 PolarHBondContact O-N 3.46Å |
| 633 | A | 89.8 | Confident | 89 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.3 | -32.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | M603 F629 R637 D638 I642 | M603-A633 HydrophobicContact SD-CB 4.1Å; F629-A633 VanDerWaalsContact O-CB 3.28Å; F629-A633 WeakPolarHBondContact O-CB 3.3Å; F629-A633 PolarHBondContact O-N 2.93Å; A633-R637 PolarHBondContact O-N 2.85Å; A633-R637 VanDerWaalsContact O-N 3.13Å; A633-D638 PolarHBondContact O-N 2.85Å; A633-D638 VanDerWaalsContact O-N 3.11Å; A633-I642 HydrophobicContact CB-CG1 3.85Å |
| 634 | K | 89.7 | Confident | 88.9 | Confident | 100 Ų | 100 | 63.4 Ų | 63.4 | 44% | 0.435 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69.9 | -38.9 | 173.2 | -76.5 | 173.9 | 178.1 | 175.4 | 0 | 112.3 | L630 A631 I632 R637 I642 Y646 | L630-K634 HydrophobicContact CG-CD 4.39Å; L630-K634 WeakPolarHBondContact O-CG 3.46Å; L630-K634 PolarHBondContact O-N 3.21Å; L630-K634 VanDerWaalsContact O-N 3.13Å; A631-K634 WeakPolarHBondContact O-CB 3.44Å; A631-K634 PolarHBondContact O-N 3.47Å; I632-K634 PolarHBondContact O-N 3.34Å; K634-R637 PolarHBondContact O-N 3.14Å; K634-I642 HydrophobicContact CG-CD1 4.15Å; K634-I642 HydrophobicContact CG-CG1 4.27Å; K634-Y646 WeakPolarHBondContact CE-OH 3.4Å; K634-Y646 PolarHBondContact NZ-OH 3.18Å |
| 635 | E | 88.8 | Confident | 88.9 | Confident | 143 Ų | 143 | 54.2 Ų | 54.2 | 67% | 0.668 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -62.9 | -43.2 | 175.1 | -68.9 | 179.4 | 179.9 | 0 | 0 | 111.5 | A631 I632 R637 | A631-E635 PolarHBondContact O-N 3.22Å; A631-E635 VanDerWaalsContact O-N 3.16Å; I632-E635 WeakPolarHBondContact O-CB 3.44Å; I632-E635 PolarHBondContact O-N 3.44Å; E635-R637 PolarHBondContact O-N 2.92Å |
| 636 | L | 84.8 | Confident | 88.9 | Confident | 66 Ų | 66 | 53.6 Ų | 53.6 | 35% | 0.346 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -10.4 | 176.7 | -65.5 | 177.4 | 0 | 0 | 0 | 114.1 | I599 E600 M603 I632 D638 | I599-L636 HydrophobicContact CB-CD2 4.44Å; I599-L636 HydrophobicContact CG2-CD1 4.11Å; I599-L636 HydrophobicContact CG2-CD2 3.85Å; I599-L636 HydrophobicContact CG2-CG 3.98Å; E600-L636 HydrophobicContact CG-CD1 4.23Å; M603-L636 HydrophobicContact CE-CD1 4.37Å; M603-L636 HydrophobicContact SD-CD1 3.85Å; I632-L636 HydrophobicContact CG2-CD1 4.18Å; I632-L636 HydrophobicContact CG2-CG 4.48Å; I632-L636 PolarHBondContact O-N 3.46Å; L636-D638 PolarHBondContact O-N 3.19Å |
| 637 | R | 84.9 | Confident | 88.7 | Confident | 207 Ų | 207 | 54.3 Ų | 54.3 | 78% | 0.781 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 31.5 | -173.1 | -54.7 | -177.5 | 179.6 | -171.5 | -0.1 | 113.6 | A633 K634 E635 H639 | A633-R637 PolarHBondContact O-N 2.85Å; A633-R637 VanDerWaalsContact O-N 3.13Å; K634-R637 PolarHBondContact O-N 3.14Å; E635-R637 PolarHBondContact O-N 2.92Å; R637-H639 PolarHBondContact O-N 3.06Å |
| 638 | D | 81.9 | Confident | 88.7 | Confident | 54 Ų | 54 | 54.6 Ų | 54.6 | 29% | 0.289 | 26% | 0.262 | S | S | . | . | trans | -85.4 | 96.4 | 177.1 | -178.7 | 10.6 | 0 | 0 | 0 | 111.4 | A633 L636 K640 S641 I642 | A633-D638 PolarHBondContact O-N 2.85Å; A633-D638 VanDerWaalsContact O-N 3.11Å; L636-D638 PolarHBondContact O-N 3.19Å; D638-K640 PolarHBondContact O-N 3.12Å; D638-K640 WeakPolarHBondContact OD1-CB 3.19Å; D638-K640 PolarHBondContact OD1-N 3.05Å; D638-S641 PolarHBondContact O-N 3.3Å; D638-S641 VanDerWaalsContact OD2-CB 3.25Å; D638-S641 WeakPolarHBondContact OD2-CB 3.3Å; D638-S641 PolarHBondContact OD2-N 3.14Å; D638-S641 PolarHBondContact OD2-OG 3Å; D638-I642 WeakPolarHBondContact O-CG1 3.28Å; D638-I642 PolarHBondContact O-N 3.28Å | ||
| 639 | H | 83.5 | Confident | 88.6 | Confident | 100 Ų | 100 | 52.3 Ų | 52.3 | 46% | 0.463 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.3 | -25.5 | 179.7 | -64.4 | -55.7 | 0 | 0 | 0 | 114.3 | R637 A643 T676 | R637-H639 PolarHBondContact O-N 3.06Å; H639-A643 PolarHBondContact O-N 3.43Å; H639-T676 HydrophobicContact CB-CG2 3.59Å |
| 640 | K | 84.3 | Confident | 88.6 | Confident | 154 Ų | 154 | 52.3 Ų | 52.3 | 67% | 0.67 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -72 | -51.2 | 177.5 | -67.8 | -179.3 | 179.5 | 177.7 | 0 | 110.3 | D638 I642 A643 V644 T676 | D638-K640 PolarHBondContact O-N 3.12Å; D638-K640 WeakPolarHBondContact OD1-CB 3.19Å; D638-K640 PolarHBondContact OD1-N 3.05Å; K640-I642 VanDerWaalsContact C-N 3.32Å; K640-I642 PolarHBondContact O-N 3.04Å; K640-A643 WeakPolarHBondContact O-CB 3.28Å; K640-A643 PolarHBondContact O-N 3.41Å; K640-A643 VanDerWaalsContact O-N 3.16Å; K640-V644 PolarHBondContact O-N 3.28Å; K640-T676 HydrophobicContact CG-CG2 4.28Å |
| 641 | S | 86.3 | Confident | 88.5 | Confident | 16 Ų | 16 | 53 Ų | 53 | 11% | 0.112 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.3 | -37.1 | 178.5 | -63.4 | 0 | 0 | 0 | 0 | 112.3 | D638 A643 V644 A645 | D638-S641 PolarHBondContact O-N 3.3Å; D638-S641 VanDerWaalsContact OD2-CB 3.25Å; D638-S641 WeakPolarHBondContact OD2-CB 3.3Å; D638-S641 PolarHBondContact OD2-N 3.14Å; D638-S641 PolarHBondContact OD2-OG 3Å; S641-A643 VanDerWaalsContact C-N 3.32Å; S641-A643 PolarHBondContact O-N 3.43Å; S641-V644 PolarHBondContact O-N 2.93Å; S641-A645 WeakPolarHBondContact O-CB 3.44Å; S641-A645 PolarHBondContact O-N 3.43Å |
| 642 | I | 89.4 | Confident | 88.3 | Confident | 16 Ų | 16 | 50.7 Ų | 50.7 | 8% | 0.082 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.6 | -43.1 | 173.6 | -66.6 | 166.7 | 0 | 0 | 0 | 111.5 | L630 A633 K634 D638 K640 A645 Y646 T672 | L630-I642 HydrophobicContact CD1-CG2 4.07Å; A633-I642 HydrophobicContact CB-CG1 3.85Å; K634-I642 HydrophobicContact CG-CD1 4.15Å; K634-I642 HydrophobicContact CG-CG1 4.27Å; D638-I642 WeakPolarHBondContact O-CG1 3.28Å; D638-I642 PolarHBondContact O-N 3.28Å; K640-I642 VanDerWaalsContact C-N 3.32Å; K640-I642 PolarHBondContact O-N 3.04Å; I642-A645 PolarHBondContact O-N 2.96Å; I642-Y646 HydrophobicContact CG2-CD2 3.68Å; I642-Y646 HydrophobicContact CG2-CE2 3.62Å; I642-Y646 VanDerWaalsContact O-CD2 3.29Å; I642-Y646 WeakPolarHBondContact O-CD2 3.47Å; I642-Y646 PolarHBondContact O-N 3.37Å; I642-Y646 VanDerWaalsContact O-N 3.11Å; I642-T672 HydrophobicContact CG2-CG2 3.93Å |
| 643 | A | 87.4 | Confident | 88.3 | Confident | 8 Ų | 8 | 51.7 Ų | 51.7 | 7% | 0.066 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.2 | -40 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | H639 K640 S641 C647 S669 T672 | H639-A643 PolarHBondContact O-N 3.43Å; K640-A643 WeakPolarHBondContact O-CB 3.28Å; K640-A643 PolarHBondContact O-N 3.41Å; K640-A643 VanDerWaalsContact O-N 3.16Å; S641-A643 VanDerWaalsContact C-N 3.32Å; S641-A643 PolarHBondContact O-N 3.43Å; A643-C647 WeakPolarHBondContact O-CB 3.36Å; A643-C647 PolarHBondContact O-N 2.98Å; A643-S669 PolarHBondContact O-OG 3.45Å; A643-T672 WeakPolarHBondContact CA-OG1 3.39Å; A643-T672 WeakPolarHBondContact CB-OG1 3.4Å |
| 644 | V | 87.6 | Confident | 88.3 | Confident | 50 Ų | 50 | 53.3 Ų | 53.3 | 30% | 0.303 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.6 | -45.8 | 175.8 | 177.3 | 0 | 0 | 0 | 0 | 110.7 | F629 K640 S641 Y646 C647 M648 | F629-V644 HydrophobicContact CE1-CB 4.46Å; F629-V644 HydrophobicContact CE1-CG1 4.32Å; K640-V644 PolarHBondContact O-N 3.28Å; S641-V644 PolarHBondContact O-N 2.93Å; V644-Y646 PolarHBondContact O-N 3.41Å; V644-C647 VanDerWaalsContact O-CB 3.29Å; V644-C647 WeakPolarHBondContact O-CB 3.45Å; V644-C647 PolarHBondContact O-N 3.03Å; V644-C647 VanDerWaalsContact O-N 3.08Å; V644-M648 HydrophobicContact CG1-CG 4.41Å; V644-M648 WeakPolarHBondContact O-CG 3.5Å; V644-M648 PolarHBondContact O-N 2.9Å |
| 645 | A | 90.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.3 | -48.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F629 L630 S641 I642 C647 M648 L649 | F629-A645 HydrophobicContact CD1-CB 3.36Å; F629-A645 HydrophobicContact CE1-CB 3.48Å; F629-A645 VanDerWaalsContact CE1-CB 3.48Å; F629-A645 HydrophobicContact CG-CB 4.33Å; F629-A645 HydrophobicContact CZ-CB 4.49Å; L630-A645 HydrophobicContact CB-CB 3.89Å; L630-A645 HydrophobicContact CD1-CB 3.88Å; L630-A645 HydrophobicContact CG-CB 4.48Å; S641-A645 WeakPolarHBondContact O-CB 3.44Å; S641-A645 PolarHBondContact O-N 3.43Å; I642-A645 PolarHBondContact O-N 2.96Å; A645-C647 VanDerWaalsContact C-N 3.28Å; A645-C647 PolarHBondContact O-N 3.26Å; A645-M648 PolarHBondContact O-N 3.37Å; A645-L649 WeakPolarHBondContact O-CB 3.44Å; A645-L649 WeakPolarHBondContact O-CG 3.33Å; A645-L649 PolarHBondContact O-N 3.23Å |
| 646 | Y | 92.4 | Very high | 87.8 | Confident | 31 Ų | 31 | 48 Ų | 48 | 12% | 0.122 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.8 | -34.1 | 175.6 | -83.6 | -59.8 | 0 | 0 | 0 | 112.9 | L630 K634 I642 V644 G650 C665 Y668 | L630-Y646 HydrophobicContact CD1-CD2 3.84Å; L630-Y646 HydrophobicContact CD1-CE1 4.34Å; L630-Y646 HydrophobicContact CD1-CE2 3.59Å; L630-Y646 HydrophobicContact CD1-CG 4.31Å; L630-Y646 HydrophobicContact CD2-CD1 4.16Å; L630-Y646 HydrophobicContact CD2-CE1 3.64Å; L630-Y646 HydrophobicContact CD2-CE2 4.32Å; K634-Y646 WeakPolarHBondContact CE-OH 3.4Å; K634-Y646 PolarHBondContact NZ-OH 3.18Å; I642-Y646 HydrophobicContact CG2-CD2 3.68Å; I642-Y646 HydrophobicContact CG2-CE2 3.62Å; I642-Y646 VanDerWaalsContact O-CD2 3.29Å; I642-Y646 WeakPolarHBondContact O-CD2 3.47Å; I642-Y646 PolarHBondContact O-N 3.37Å; I642-Y646 VanDerWaalsContact O-N 3.11Å; V644-Y646 PolarHBondContact O-N 3.41Å; Y646-G650 PolarHBondContact O-N 3.35Å; Y646-C665 HydrophobicContact CD1-CB 4.47Å; Y646-Y668 HydrophobicContact CD1-CD2 4.35Å; Y646-Y668 HydrophobicContact CD1-CG 4.41Å; Y646-Y668 AromaticContact CE1-CD2 3.95Å; Y646-Y668 HydrophobicContact CE1-CD2 3.95Å; Y646-Y668 HydrophobicContact CE1-CG 4.09Å; Y646-Y668 HydrophobicContact CE2-CG 4.49Å |
| 647 | C | 90.1 | Very high | 87.7 | Confident | 15 Ų | 15 | 47.5 Ų | 47.5 | 10% | 0.101 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.6 | -49.5 | 176 | -168.3 | 0 | 0 | 0 | 0 | 111.2 | A643 V644 A645 G650 R651 H666 Y688 | A643-C647 WeakPolarHBondContact O-CB 3.36Å; A643-C647 PolarHBondContact O-N 2.98Å; V644-C647 VanDerWaalsContact O-CB 3.29Å; V644-C647 WeakPolarHBondContact O-CB 3.45Å; V644-C647 PolarHBondContact O-N 3.03Å; V644-C647 VanDerWaalsContact O-N 3.08Å; A645-C647 VanDerWaalsContact C-N 3.28Å; A645-C647 PolarHBondContact O-N 3.26Å; C647-G650 PolarHBondContact O-N 3.5Å; C647-R651 WeakPolarHBondContact O-CG 3.49Å; C647-R651 PolarHBondContact O-N 3.24Å; C647-H666 PolarHBondContact O-CE1 3.27Å; C647-Y688 WeakPolarHBondContact SG-CE2 3.4Å |
| 648 | M | 91.1 | Very high | 87.7 | Confident | 54 Ų | 54 | 43 Ų | 43 | 27% | 0.266 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -69.7 | -36.4 | -178.9 | -63 | -56.7 | 168.8 | 0 | 0 | 113.1 | F626 V644 A645 R651 S652 | F626-M648 HydrophobicContact CD1-CB 3.79Å; F626-M648 HydrophobicContact CD1-CG 4.44Å; F626-M648 HydrophobicContact CD2-CB 3.85Å; F626-M648 HydrophobicContact CE1-CB 3.64Å; F626-M648 HydrophobicContact CE1-CG 3.95Å; F626-M648 HydrophobicContact CE2-CB 3.71Å; F626-M648 HydrophobicContact CG-CB 3.91Å; F626-M648 HydrophobicContact CZ-CB 3.6Å; F626-M648 HydrophobicContact CZ-CG 4.03Å; V644-M648 HydrophobicContact CG1-CG 4.41Å; V644-M648 WeakPolarHBondContact O-CG 3.5Å; V644-M648 PolarHBondContact O-N 2.9Å; A645-M648 PolarHBondContact O-N 3.37Å; M648-R651 PolarHBondContact O-N 2.9Å; M648-S652 WeakPolarHBondContact O-CB 3.35Å; M648-S652 PolarHBondContact O-N 3.08Å; M648-S652 PolarHBondContact O-OG 3.44Å |
| 649 | L | 91.7 | Very high | 88 | Confident | 12 Ų | 12 | 42.6 Ų | 42.6 | 6% | 0.063 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.3 | -47.4 | 170.1 | -77.1 | 170.1 | 0 | 0 | 0 | 111.4 | L623 F626 A627 L630 A645 R651 S652 Q653 | L623-L649 HydrophobicContact CD2-CD2 3.74Å; F626-L649 HydrophobicContact CB-CD2 3.55Å; F626-L649 HydrophobicContact CB-CG 3.74Å; A627-L649 HydrophobicContact CB-CD2 4.39Å; L630-L649 HydrophobicContact CB-CD1 4.25Å; L630-L649 HydrophobicContact CD2-CD1 3.74Å; A645-L649 WeakPolarHBondContact O-CB 3.44Å; A645-L649 WeakPolarHBondContact O-CG 3.33Å; A645-L649 PolarHBondContact O-N 3.23Å; L649-R651 VanDerWaalsContact C-N 3.33Å; L649-R651 PolarHBondContact O-N 3.01Å; L649-S652 PolarHBondContact O-N 2.9Å; L649-Q653 WeakPolarHBondContact O-CB 3.38Å; L649-Q653 WeakPolarHBondContact O-CG 3.4Å; L649-Q653 PolarHBondContact O-N 3.08Å |
| 650 | G | 91.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.2 | -41 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y646 C647 Q653 F654 A662 H666 | Y646-G650 PolarHBondContact O-N 3.35Å; C647-G650 PolarHBondContact O-N 3.5Å; G650-Q653 PolarHBondContact O-N 2.99Å; G650-F654 VanDerWaalsContact O-CB 3.31Å; G650-F654 WeakPolarHBondContact O-CB 3.45Å; G650-F654 PolarHBondContact O-N 3.33Å; G650-A662 WeakPolarHBondContact O-CB 3.42Å; G650-H666 VanDerWaalsContact C-NE2 3.29Å |
| 651 | R | 90.3 | Very high | 88.5 | Confident | 30 Ų | 30 | 38.9 Ų | 38.9 | 11% | 0.113 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.9 | -46.3 | 173.5 | -71.6 | -68.3 | 83.7 | 179.1 | 5.5 | 112.6 | F614 C647 M648 L649 F654 L655 H666 E691 | F614-R651 HydrophobicContact CE2-CB 3.94Å; F614-R651 HydrophobicContact CZ-CB 4.05Å; C647-R651 WeakPolarHBondContact O-CG 3.49Å; C647-R651 PolarHBondContact O-N 3.24Å; M648-R651 PolarHBondContact O-N 2.9Å; L649-R651 VanDerWaalsContact C-N 3.33Å; L649-R651 PolarHBondContact O-N 3.01Å; R651-F654 PolarHBondContact O-N 3Å; R651-L655 WeakPolarHBondContact O-CG 3.35Å; R651-L655 PolarHBondContact O-N 3.07Å; R651-L655 VanDerWaalsContact O-N 3.11Å; R651-H666 PolarHBondContact NE-CE1 3.41Å; R651-H666 PolarHBondContact NE-NE2 2.97Å; R651-H666 PolarHBondContact NH2-NE2 3.43Å; R651-E691 IonicContact CZ-OE2 3.54Å; R651-E691 IonicContact NH1-OE2 3.82Å; R651-E691 PolarHBondContact NH1-OE2 3.42Å; R651-E691 IonicContact NH2-OE2 3.73Å; R651-E691 PolarHBondContact NH2-OE2 3.38Å |
| 652 | S | 89 | Confident | 88.8 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.3 | -38.9 | -179.8 | -56.8 | 0 | 0 | 0 | 0 | 111.8 | F614 L623 M648 L649 L656 | F614-S652 WeakPolarHBondContact CD2-OG 3.39Å; L623-S652 VanDerWaalsContact CD2-CB 3.44Å; M648-S652 WeakPolarHBondContact O-CB 3.35Å; M648-S652 PolarHBondContact O-N 3.08Å; M648-S652 PolarHBondContact O-OG 3.44Å; L649-S652 PolarHBondContact O-N 2.9Å; S652-L656 WeakPolarHBondContact O-CG 3.25Å; S652-L656 PolarHBondContact O-N 2.99Å |
| 653 | Q | 89.9 | Confident | 88.9 | Confident | 29 Ų | 29 | 37.9 Ų | 37.9 | 14% | 0.136 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.6 | -39.4 | 174.9 | -74 | 170.9 | -17.8 | 0 | 0 | 112.4 | L623 L649 G650 L655 L656 G657 K658 D661 A662 C665 | L623-Q653 HydrophobicContact CD1-CG 4.34Å; L623-Q653 HydrophobicContact CD2-CG 3.75Å; L649-Q653 WeakPolarHBondContact O-CB 3.38Å; L649-Q653 WeakPolarHBondContact O-CG 3.4Å; L649-Q653 PolarHBondContact O-N 3.08Å; G650-Q653 PolarHBondContact O-N 2.99Å; Q653-L655 VanDerWaalsContact C-N 3.35Å; Q653-L655 PolarHBondContact O-N 3.48Å; Q653-L656 PolarHBondContact O-N 2.94Å; Q653-G657 PolarHBondContact O-N 3.25Å; Q653-K658 HydrophobicContact CB-CB 4.39Å; Q653-K658 PolarHBondContact O-N 3.49Å; Q653-D661 VanDerWaalsContact CD-CB 3.48Å; Q653-D661 HydrophobicContact CG-CB 4.26Å; Q653-D661 PolarHBondContact OE1-O 2.92Å; Q653-A662 HydrophobicContact CB-CB 3.92Å; Q653-C665 PolarHBondContact OE1-SG 3.24Å |
| 654 | F | 89.3 | Confident | 89.1 | Confident | 34 Ų | 34 | 42.8 Ų | 42.8 | 15% | 0.149 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59 | -46.4 | 175.6 | 176.6 | -103.3 | 0 | 0 | 0 | 111.3 | G650 R651 L656 G657 L659 A662 E691 V692 E695 | G650-F654 VanDerWaalsContact O-CB 3.31Å; G650-F654 WeakPolarHBondContact O-CB 3.45Å; G650-F654 PolarHBondContact O-N 3.33Å; R651-F654 PolarHBondContact O-N 3Å; F654-L656 VanDerWaalsContact C-N 3.25Å; F654-L656 PolarHBondContact O-N 3.2Å; F654-G657 PolarHBondContact O-N 3.38Å; F654-L659 HydrophobicContact CD2-CD2 3.85Å; F654-L659 HydrophobicContact CE2-CD2 4.05Å; F654-A662 HydrophobicContact CB-CB 4.03Å; F654-E691 HydrophobicContact CE1-CG 4.37Å; F654-E691 HydrophobicContact CE2-CG 4.22Å; F654-E691 HydrophobicContact CZ-CG 3.76Å; F654-V692 HydrophobicContact CD2-CG2 3.77Å; F654-V692 HydrophobicContact CE2-CG2 4.28Å; F654-E695 HydrophobicContact CE2-CB 4.26Å; F654-E695 HydrophobicContact CE2-CG 3.68Å; F654-E695 HydrophobicContact CZ-CG 3.86Å |
| 655 | L | 85 | Confident | 89.2 | Confident | 77 Ų | 77 | 41 Ų | 41 | 40% | 0.403 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -69.4 | -21.4 | 179.2 | -66.1 | 169.5 | 0 | 0 | 0 | 113.6 | F614 Y619 R651 Q653 G657 | F614-L655 HydrophobicContact CE1-CD1 4.43Å; F614-L655 HydrophobicContact CE2-CD1 3.59Å; F614-L655 HydrophobicContact CZ-CD1 3.45Å; F614-L655 VanDerWaalsContact CZ-CD1 3.45Å; Y619-L655 HydrophobicContact CD1-CB 4.17Å; Y619-L655 HydrophobicContact CD1-CD1 3.88Å; Y619-L655 HydrophobicContact CD2-CB 3.96Å; Y619-L655 HydrophobicContact CE1-CB 4.09Å; Y619-L655 HydrophobicContact CE1-CD1 3.28Å; Y619-L655 HydrophobicContact CE1-CG 4.26Å; Y619-L655 HydrophobicContact CE2-CB 3.86Å; Y619-L655 HydrophobicContact CE2-CD1 4.36Å; Y619-L655 HydrophobicContact CG-CB 4.09Å; R651-L655 WeakPolarHBondContact O-CG 3.35Å; R651-L655 PolarHBondContact O-N 3.07Å; R651-L655 VanDerWaalsContact O-N 3.11Å; Q653-L655 VanDerWaalsContact C-N 3.35Å; Q653-L655 PolarHBondContact O-N 3.48Å; L655-G657 VanDerWaalsContact C-N 3.32Å |
| 656 | L | 83 | Confident | 89.4 | Confident | 54 Ų | 54 | 41 Ų | 41 | 28% | 0.283 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 2.8 | 171.5 | -71.9 | 167.6 | 0 | 0 | 0 | 113.5 | R620 L623 S652 Q653 F654 K658 | R620-L656 HydrophobicContact CG-CD1 4.18Å; R620-L656 HydrophobicContact CG-CD2 3.93Å; L623-L656 HydrophobicContact CD1-CD1 3.31Å; L623-L656 HydrophobicContact CG-CD1 4.09Å; S652-L656 WeakPolarHBondContact O-CG 3.25Å; S652-L656 PolarHBondContact O-N 2.99Å; Q653-L656 PolarHBondContact O-N 2.94Å; F654-L656 VanDerWaalsContact C-N 3.25Å; F654-L656 PolarHBondContact O-N 3.2Å; L656-K658 VanDerWaalsContact C-N 3.3Å; L656-K658 PolarHBondContact O-N 3.09Å |
| 657 | G | 82.4 | Confident | 89.3 | Confident | 56 Ų | 56 | 46.5 Ų | 46.5 | 58% | 0.577 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78 | 6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q653 F654 L655 L659 | Q653-G657 PolarHBondContact O-N 3.25Å; F654-G657 PolarHBondContact O-N 3.38Å; L655-G657 VanDerWaalsContact C-N 3.32Å; G657-L659 PolarHBondContact O-N 3.46Å; G657-L659 VanDerWaalsContact O-N 3.09Å |
| 658 | K | 86.5 | Confident | 89.4 | Confident | 113 Ų | 113 | 51.6 Ų | 51.6 | 49% | 0.491 | 26% | 0.255 | S | S | . | . | trans | -85.7 | 75.6 | 178.1 | -64.2 | -174.5 | -179.9 | -174.2 | 0 | 110.8 | Q653 L656 D660 D661 A662 | Q653-K658 HydrophobicContact CB-CB 4.39Å; Q653-K658 PolarHBondContact O-N 3.49Å; L656-K658 VanDerWaalsContact C-N 3.3Å; L656-K658 PolarHBondContact O-N 3.09Å; K658-D660 PolarHBondContact O-N 3.34Å; K658-D661 HydrophobicContact CB-CB 4.38Å; K658-A662 WeakPolarHBondContact O-CB 3.44Å; K658-A662 PolarHBondContact O-N 3.16Å; K658-A662 VanDerWaalsContact O-N 3.08Å | ||
| 659 | L | 88.1 | Confident | 89.3 | Confident | 45 Ų | 45 | 49.2 Ų | 49.2 | 24% | 0.236 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65 | -38.3 | -171.2 | -60.5 | 179.8 | 0 | 0 | 0 | 113.8 | F654 G657 A662 L663 V692 E695 M696 | F654-L659 HydrophobicContact CD2-CD2 3.85Å; F654-L659 HydrophobicContact CE2-CD2 4.05Å; G657-L659 PolarHBondContact O-N 3.46Å; G657-L659 VanDerWaalsContact O-N 3.09Å; L659-A662 PolarHBondContact O-N 2.93Å; L659-L663 WeakPolarHBondContact O-CB 3.4Å; L659-L663 PolarHBondContact O-N 3.12Å; L659-V692 HydrophobicContact CB-CG1 4.36Å; L659-V692 WeakPolarHBondContact O-CG1 3.5Å; L659-E695 HydrophobicContact CD1-CB 4.08Å; L659-E695 HydrophobicContact CD2-CB 4.06Å; L659-M696 HydrophobicContact CB-CG 3.95Å; L659-M696 HydrophobicContact CD1-CG 3.97Å |
| 660 | D | 89.2 | Confident | 89.2 | Confident | 106 Ų | 106 | 50.7 Ų | 50.7 | 57% | 0.567 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -65.8 | -49.7 | -179.5 | -70.7 | -53.7 | 0 | 0 | 0 | 111.6 | K658 A662 L663 E664 M696 | K658-D660 PolarHBondContact O-N 3.34Å; D660-A662 VanDerWaalsContact C-N 3.31Å; D660-A662 PolarHBondContact O-N 3.43Å; D660-L663 WeakPolarHBondContact O-CB 3.41Å; D660-L663 PolarHBondContact O-N 3.02Å; D660-E664 PolarHBondContact O-N 3.38Å; D660-E664 VanDerWaalsContact O-N 3.09Å; D660-M696 WeakPolarHBondContact OD1-CE 3.46Å |
| 661 | D | 88.5 | Confident | 89.1 | Confident | 70 Ų | 70 | 53.3 Ų | 53.3 | 37% | 0.374 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.4 | -42.5 | 176.8 | -60.3 | -20.9 | 0 | 0 | 0 | 111.1 | Q653 K658 L663 E664 C665 | Q653-D661 VanDerWaalsContact CD-CB 3.48Å; Q653-D661 HydrophobicContact CG-CB 4.26Å; Q653-D661 PolarHBondContact OE1-O 2.92Å; K658-D661 HydrophobicContact CB-CB 4.38Å; D661-L663 VanDerWaalsContact C-N 3.31Å; D661-L663 PolarHBondContact O-N 3.41Å; D661-E664 PolarHBondContact O-N 2.88Å; D661-C665 PolarHBondContact O-N 3.17Å; D661-C665 PolarHBondContact O-SG 3.14Å |
| 662 | A | 91.4 | Very high | 89 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.8 | -41.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G650 Q653 F654 K658 L659 D660 C665 H666 V692 | G650-A662 WeakPolarHBondContact O-CB 3.42Å; Q653-A662 HydrophobicContact CB-CB 3.92Å; F654-A662 HydrophobicContact CB-CB 4.03Å; K658-A662 WeakPolarHBondContact O-CB 3.44Å; K658-A662 PolarHBondContact O-N 3.16Å; K658-A662 VanDerWaalsContact O-N 3.08Å; L659-A662 PolarHBondContact O-N 2.93Å; D660-A662 VanDerWaalsContact C-N 3.31Å; D660-A662 PolarHBondContact O-N 3.43Å; A662-C665 PolarHBondContact O-N 3.19Å; A662-H666 WeakPolarHBondContact O-CB 3.32Å; A662-H666 PolarHBondContact O-CD2 3.41Å; A662-H666 PolarHBondContact O-N 2.94Å; A662-V692 HydrophobicContact CB-CG2 4.19Å |
| 663 | L | 91.5 | Very high | 88.8 | Confident | 12 Ų | 12 | 53.1 Ų | 53.1 | 6% | 0.063 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.7 | -42 | 176.8 | -173.9 | 64.3 | 0 | 0 | 0 | 111.5 | L659 D660 D661 R667 V689 V692 L693 M696 | L659-L663 WeakPolarHBondContact O-CB 3.4Å; L659-L663 PolarHBondContact O-N 3.12Å; D660-L663 WeakPolarHBondContact O-CB 3.41Å; D660-L663 PolarHBondContact O-N 3.02Å; D661-L663 VanDerWaalsContact C-N 3.31Å; D661-L663 PolarHBondContact O-N 3.41Å; L663-R667 WeakPolarHBondContact O-CB 3.02Å; L663-R667 VanDerWaalsContact O-CG 3.26Å; L663-R667 WeakPolarHBondContact O-CG 3.43Å; L663-R667 PolarHBondContact O-N 2.86Å; L663-V689 HydrophobicContact CD1-CG1 4.01Å; L663-V692 HydrophobicContact CB-CG1 3.87Å; L663-V692 HydrophobicContact CD1-CB 4.41Å; L663-V692 HydrophobicContact CD1-CG1 4.24Å; L663-L693 HydrophobicContact CD1-CD2 4.15Å; L663-L693 HydrophobicContact CD1-CG 4.18Å; L663-L693 HydrophobicContact CD2-CD2 4.26Å; L663-M696 HydrophobicContact CD2-SD 4.03Å |
| 664 | E | 92.4 | Very high | 88.6 | Confident | 111 Ų | 111 | 57.6 Ų | 57.6 | 52% | 0.519 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.4 | -48.7 | 176.5 | -69.3 | -167.3 | 166.3 | 0 | 0 | 111.6 | D660 D661 H666 R667 Y668 | D660-E664 PolarHBondContact O-N 3.38Å; D660-E664 VanDerWaalsContact O-N 3.09Å; D661-E664 PolarHBondContact O-N 2.88Å; E664-H666 PolarHBondContact O-N 3.49Å; E664-R667 WeakPolarHBondContact O-CB 3.3Å; E664-R667 PolarHBondContact O-N 2.93Å; E664-R667 VanDerWaalsContact O-N 3.12Å; E664-Y668 HydrophobicContact CB-CE2 4.3Å; E664-Y668 WeakPolarHBondContact O-CD2 3.45Å; E664-Y668 PolarHBondContact O-N 3.32Å |
| 665 | C | 91 | Very high | 88.4 | Confident | 13 Ų | 13 | 61 Ų | 61 | 9% | 0.088 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57.6 | -46.6 | 177.4 | -74 | 0 | 0 | 0 | 0 | 112.2 | Y646 Q653 D661 A662 R667 Y668 S669 | Y646-C665 HydrophobicContact CD1-CB 4.47Å; Q653-C665 PolarHBondContact OE1-SG 3.24Å; D661-C665 PolarHBondContact O-N 3.17Å; D661-C665 PolarHBondContact O-SG 3.14Å; A662-C665 PolarHBondContact O-N 3.19Å; C665-R667 VanDerWaalsContact C-N 3.32Å; C665-R667 PolarHBondContact O-N 2.92Å; C665-Y668 PolarHBondContact O-N 2.92Å; C665-S669 PolarHBondContact O-N 3.49Å |
| 666 | H | 92.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.9 | -31.5 | 177.6 | -70.5 | -50.6 | 0 | 0 | 0 | 113 | C647 G650 R651 A662 E664 S669 L670 Y688 V689 | C647-H666 PolarHBondContact O-CE1 3.27Å; G650-H666 VanDerWaalsContact C-NE2 3.29Å; R651-H666 PolarHBondContact NE-CE1 3.41Å; R651-H666 PolarHBondContact NE-NE2 2.97Å; R651-H666 PolarHBondContact NH2-NE2 3.43Å; A662-H666 WeakPolarHBondContact O-CB 3.32Å; A662-H666 PolarHBondContact O-CD2 3.41Å; A662-H666 PolarHBondContact O-N 2.94Å; E664-H666 PolarHBondContact O-N 3.49Å; H666-S669 PolarHBondContact O-N 2.94Å; H666-L670 WeakPolarHBondContact O-CB 3.49Å; H666-L670 PolarHBondContact O-N 3.21Å; H666-Y688 AromaticContact CE1-CD2 3.98Å; H666-Y688 AromaticContact CE1-CG 3.88Å; H666-V689 HydrophobicContact CB-CG2 3.68Å |
| 667 | R | 91.8 | Very high | 87.9 | Confident | 146 Ų | 146 | 59.8 Ų | 59.8 | 55% | 0.551 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -66.4 | -39.9 | 171 | -76.8 | 173.7 | 174.2 | -170.3 | 0.3 | 112.3 | L663 E664 C665 L670 A671 | L663-R667 WeakPolarHBondContact O-CB 3.02Å; L663-R667 VanDerWaalsContact O-CG 3.26Å; L663-R667 WeakPolarHBondContact O-CG 3.43Å; L663-R667 PolarHBondContact O-N 2.86Å; E664-R667 WeakPolarHBondContact O-CB 3.3Å; E664-R667 PolarHBondContact O-N 2.93Å; E664-R667 VanDerWaalsContact O-N 3.12Å; C665-R667 VanDerWaalsContact C-N 3.32Å; C665-R667 PolarHBondContact O-N 2.92Å; R667-L670 WeakPolarHBondContact O-CB 3.28Å; R667-L670 PolarHBondContact O-N 2.94Å; R667-A671 PolarHBondContact O-N 3.05Å |
| 668 | Y | 90.9 | Very high | 87.8 | Confident | 122 Ų | 122 | 60.3 Ų | 60.3 | 48% | 0.478 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.5 | -39.9 | 173.8 | -71.7 | -61.3 | 0 | 0 | 0 | 112.1 | Y646 E664 C665 L670 A671 T672 | Y646-Y668 HydrophobicContact CD1-CD2 4.35Å; Y646-Y668 HydrophobicContact CD1-CG 4.41Å; Y646-Y668 AromaticContact CE1-CD2 3.95Å; Y646-Y668 HydrophobicContact CE1-CD2 3.95Å; Y646-Y668 HydrophobicContact CE1-CG 4.09Å; Y646-Y668 HydrophobicContact CE2-CG 4.49Å; E664-Y668 HydrophobicContact CB-CE2 4.3Å; E664-Y668 WeakPolarHBondContact O-CD2 3.45Å; E664-Y668 PolarHBondContact O-N 3.32Å; C665-Y668 PolarHBondContact O-N 2.92Å; Y668-L670 VanDerWaalsContact C-N 3.33Å; Y668-L670 PolarHBondContact O-N 2.72Å; Y668-A671 PolarHBondContact O-N 3.14Å; Y668-T672 WeakPolarHBondContact O-CB 3.41Å; Y668-T672 WeakPolarHBondContact O-CG2 3.35Å; Y668-T672 PolarHBondContact O-N 3.35Å; Y668-T672 PolarHBondContact O-OG1 3.26Å |
| 669 | S | 90.1 | Very high | 87.7 | Confident | 4 Ų | 4 | 58 Ų | 58 | 3% | 0.028 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.9 | -39.9 | 172.5 | -172.5 | 0 | 0 | 0 | 0 | 112 | A643 C665 H666 T672 S673 | A643-S669 PolarHBondContact O-OG 3.45Å; C665-S669 PolarHBondContact O-N 3.49Å; H666-S669 PolarHBondContact O-N 2.94Å; S669-T672 WeakPolarHBondContact CA-OG1 3.32Å; S669-T672 PolarHBondContact O-OG1 3.23Å; S669-T672 VanDerWaalsContact O-OG1 3.05Å; S669-S673 WeakPolarHBondContact O-CB 3.18Å; S669-S673 PolarHBondContact O-N 3.15Å; S669-S673 PolarHBondContact O-OG 3.48Å |
| 670 | L | 90 | Very high | 87.5 | Confident | 42 Ų | 42 | 60.7 Ų | 60.7 | 22% | 0.22 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.9 | -41.5 | 174.3 | -175.8 | 67.6 | 0 | 0 | 0 | 112.6 | H666 R667 Y668 S673 H674 K682 A685 L686 | H666-L670 WeakPolarHBondContact O-CB 3.49Å; H666-L670 PolarHBondContact O-N 3.21Å; R667-L670 WeakPolarHBondContact O-CB 3.28Å; R667-L670 PolarHBondContact O-N 2.94Å; Y668-L670 VanDerWaalsContact C-N 3.33Å; Y668-L670 PolarHBondContact O-N 2.72Å; L670-S673 WeakPolarHBondContact CA-OG 3.48Å; L670-S673 PolarHBondContact O-OG 2.76Å; L670-H674 PolarHBondContact O-N 3.2Å; L670-H674 VanDerWaalsContact O-N 3.15Å; L670-K682 HydrophobicContact CD1-CG 3.75Å; L670-A685 HydrophobicContact CB-CB 4.07Å; L670-A685 HydrophobicContact CD1-CB 4.09Å; L670-L686 HydrophobicContact CD1-CD2 3.84Å; L670-L686 HydrophobicContact CD1-CG 3.75Å; L670-L686 HydrophobicContact CD2-CD2 3.77Å; L670-L686 HydrophobicContact CG-CD2 4.49Å |
| 671 | A | 89.5 | Confident | 87.1 | Confident | 56 Ų | 56 | 57.5 Ų | 57.5 | 46% | 0.463 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.5 | -41.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R667 Y668 H674 V675 | R667-A671 PolarHBondContact O-N 3.05Å; Y668-A671 PolarHBondContact O-N 3.14Å; A671-H674 WeakPolarHBondContact O-CB 3.33Å; A671-H674 PolarHBondContact O-N 3.3Å; A671-V675 WeakPolarHBondContact O-CG2 3.49Å; A671-V675 PolarHBondContact O-N 2.8Å |
| 672 | T | 86.5 | Confident | 87.1 | Confident | 25 Ų | 25 | 56.8 Ų | 56.8 | 15% | 0.153 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -73.3 | -38.3 | 180 | 48.6 | 0 | 0 | 0 | 0 | 112.7 | I642 A643 Y668 S669 H674 V675 T676 | I642-T672 HydrophobicContact CG2-CG2 3.93Å; A643-T672 WeakPolarHBondContact CA-OG1 3.39Å; A643-T672 WeakPolarHBondContact CB-OG1 3.4Å; Y668-T672 WeakPolarHBondContact O-CB 3.41Å; Y668-T672 WeakPolarHBondContact O-CG2 3.35Å; Y668-T672 PolarHBondContact O-N 3.35Å; Y668-T672 PolarHBondContact O-OG1 3.26Å; S669-T672 WeakPolarHBondContact CA-OG1 3.32Å; S669-T672 PolarHBondContact O-OG1 3.23Å; S669-T672 VanDerWaalsContact O-OG1 3.05Å; T672-H674 PolarHBondContact O-N 3.33Å; T672-V675 PolarHBondContact O-N 3.12Å; T672-T676 PolarHBondContact O-N 3.28Å; T672-T676 PolarHBondContact O-OG1 3.46Å |
| 673 | S | 85.4 | Confident | 86.9 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.4 | -32.1 | 170.9 | 56.5 | 0 | 0 | 0 | 0 | 112.6 | S669 L670 T676 G677 N678 | S669-S673 WeakPolarHBondContact O-CB 3.18Å; S669-S673 PolarHBondContact O-N 3.15Å; S669-S673 PolarHBondContact O-OG 3.48Å; L670-S673 WeakPolarHBondContact CA-OG 3.48Å; L670-S673 PolarHBondContact O-OG 2.76Å; S673-T676 WeakPolarHBondContact CA-OG1 3.39Å; S673-T676 PolarHBondContact O-OG1 3.22Å; S673-T676 VanDerWaalsContact O-OG1 3.13Å; S673-G677 PolarHBondContact O-N 3.28Å; S673-N678 PolarHBondContact O-N 2.84Å |
| 674 | H | 85.2 | Confident | 86.8 | Confident | 124 Ų | 124 | 59.1 Ų | 59.1 | 57% | 0.574 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -66.1 | -40.2 | 173.5 | -171.7 | 33.9 | 0 | 0 | 0 | 112.6 | L670 A671 T672 G677 K682 | L670-H674 PolarHBondContact O-N 3.2Å; L670-H674 VanDerWaalsContact O-N 3.15Å; A671-H674 WeakPolarHBondContact O-CB 3.33Å; A671-H674 PolarHBondContact O-N 3.3Å; T672-H674 PolarHBondContact O-N 3.33Å; H674-G677 PolarHBondContact O-N 2.97Å; H674-K682 PolarHBondContact ND1-NZ 2.79Å |
| 675 | V | 85 | Confident | 86.6 | Confident | 105 Ų | 105 | 53.9 Ų | 53.9 | 64% | 0.636 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -68.3 | -38.2 | 177.3 | 175.9 | 0 | 0 | 0 | 0 | 111.7 | A671 T672 G677 | A671-V675 WeakPolarHBondContact O-CG2 3.49Å; A671-V675 PolarHBondContact O-N 2.8Å; T672-V675 PolarHBondContact O-N 3.12Å; V675-G677 VanDerWaalsContact C-N 3.29Å; V675-G677 PolarHBondContact O-N 2.83Å |
| 676 | T | 78.8 | Confident | 86.6 | Confident | 48 Ų | 48 | 53.9 Ų | 53.9 | 29% | 0.294 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -77.5 | -12 | 179.6 | 54.4 | 0 | 0 | 0 | 0 | 114 | H639 K640 T672 S673 N678 | H639-T676 HydrophobicContact CB-CG2 3.59Å; K640-T676 HydrophobicContact CG-CG2 4.28Å; T672-T676 PolarHBondContact O-N 3.28Å; T672-T676 PolarHBondContact O-OG1 3.46Å; S673-T676 WeakPolarHBondContact CA-OG1 3.39Å; S673-T676 PolarHBondContact O-OG1 3.22Å; S673-T676 VanDerWaalsContact O-OG1 3.13Å; T676-N678 PolarHBondContact O-N 2.83Å |
| 677 | G | 79.6 | Confident | 86.6 | Confident | 58 Ų | 58 | 54 Ų | 54 | 60% | 0.598 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | 10.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | S673 H674 V675 V679 | S673-G677 PolarHBondContact O-N 3.28Å; H674-G677 PolarHBondContact O-N 2.97Å; V675-G677 VanDerWaalsContact C-N 3.29Å; V675-G677 PolarHBondContact O-N 2.83Å; G677-V679 PolarHBondContact O-N 2.84Å |
| 678 | N | 80.3 | Confident | 86.6 | Confident | 66 Ų | 66 | 49.3 Ų | 49.3 | 35% | 0.353 | 27% | 0.273 | S | S | . | . | trans | -81.6 | 101.3 | 179.7 | -168.7 | -20.2 | 0 | 0 | 0 | 110.9 | S673 T676 E680 C681 K682 | S673-N678 PolarHBondContact O-N 2.84Å; T676-N678 PolarHBondContact O-N 2.83Å; N678-E680 VanDerWaalsContact C-N 3.3Å; N678-E680 PolarHBondContact O-N 3.3Å; N678-E680 WeakPolarHBondContact OD1-CB 3.4Å; N678-E680 PolarHBondContact OD1-N 3.41Å; N678-E680 VanDerWaalsContact OD1-N 3.12Å; N678-C681 HydrophobicContact CB-CB 4.29Å; N678-C681 PolarHBondContact ND2-SG 2.89Å; N678-C681 PolarHBondContact OD1-N 3.45Å; N678-K682 WeakPolarHBondContact O-CB 3.18Å; N678-K682 PolarHBondContact O-N 3.01Å; N678-K682 VanDerWaalsContact O-N 3.14Å | ||
| 679 | V | 83.7 | Confident | 86.6 | Confident | 64 Ų | 64 | 44 Ų | 44 | 39% | 0.388 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.4 | -30.7 | -177.2 | -175.3 | 0 | 0 | 0 | 0 | 112.1 | G677 K682 A683 L716 | G677-V679 PolarHBondContact O-N 2.84Å; V679-K682 PolarHBondContact O-N 3.31Å; V679-A683 PolarHBondContact O-N 2.95Å; V679-L716 HydrophobicContact CB-CD2 4.13Å; V679-L716 HydrophobicContact CG1-CD1 4.1Å; V679-L716 HydrophobicContact CG1-CD2 4.04Å; V679-L716 HydrophobicContact CG1-CG 4.09Å |
| 680 | E | 83.5 | Confident | 86.8 | Confident | 102 Ų | 102 | 43.8 Ų | 43.8 | 48% | 0.477 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -69.8 | -53.8 | 179.9 | -173.9 | 171.3 | -156.3 | 0 | 0 | 111.2 | N678 K682 A683 E684 L716 L721 | N678-E680 VanDerWaalsContact C-N 3.3Å; N678-E680 PolarHBondContact O-N 3.3Å; N678-E680 WeakPolarHBondContact OD1-CB 3.4Å; N678-E680 PolarHBondContact OD1-N 3.41Å; N678-E680 VanDerWaalsContact OD1-N 3.12Å; E680-K682 PolarHBondContact O-N 2.95Å; E680-A683 WeakPolarHBondContact O-CB 3.28Å; E680-A683 PolarHBondContact O-N 3.07Å; E680-E684 PolarHBondContact O-N 3.2Å; E680-L716 HydrophobicContact CB-CD1 4.17Å; E680-L721 HydrophobicContact CG-CD1 4.35Å |
| 681 | C | 82.1 | Confident | 86.8 | Confident | 40 Ų | 40 | 43.9 Ų | 43.9 | 27% | 0.27 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.9 | -33.3 | 174.7 | -63.4 | 0 | 0 | 0 | 0 | 112.1 | N678 A685 | N678-C681 HydrophobicContact CB-CB 4.29Å; N678-C681 PolarHBondContact ND2-SG 2.89Å; N678-C681 PolarHBondContact OD1-N 3.45Å; C681-A685 VanDerWaalsContact O-CB 3.32Å; C681-A685 WeakPolarHBondContact O-CB 3.4Å; C681-A685 PolarHBondContact O-N 2.83Å |
| 682 | K | 87.4 | Confident | 86.9 | Confident | 54 Ų | 54 | 41.2 Ų | 41.2 | 24% | 0.235 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.7 | -42.6 | 175.4 | -170.5 | -179.6 | -175 | 174 | 0 | 111.8 | L670 H674 N678 V679 E680 L686 M712 | L670-K682 HydrophobicContact CD1-CG 3.75Å; H674-K682 PolarHBondContact ND1-NZ 2.79Å; N678-K682 WeakPolarHBondContact O-CB 3.18Å; N678-K682 PolarHBondContact O-N 3.01Å; N678-K682 VanDerWaalsContact O-N 3.14Å; V679-K682 PolarHBondContact O-N 3.31Å; E680-K682 PolarHBondContact O-N 2.95Å; K682-L686 WeakPolarHBondContact O-CG 3.35Å; K682-L686 PolarHBondContact O-N 3.26Å; K682-M712 HydrophobicContact CD-CE 4.06Å; K682-M712 HydrophobicContact CD-SD 4.14Å; K682-M712 HydrophobicContact CG-CE 4.45Å; K682-M712 HydrophobicContact CG-SD 4.13Å |
| 683 | A | 88.9 | Confident | 87.1 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.008 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.6 | -45 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111 | V679 E680 L686 L687 M712 L721 | V679-A683 PolarHBondContact O-N 2.95Å; E680-A683 WeakPolarHBondContact O-CB 3.28Å; E680-A683 PolarHBondContact O-N 3.07Å; A683-L686 WeakPolarHBondContact O-CB 3.45Å; A683-L686 PolarHBondContact O-N 3.47Å; A683-L687 WeakPolarHBondContact O-CG 2.85Å; A683-L687 PolarHBondContact O-N 2.74Å; A683-L687 VanDerWaalsContact O-N 3.11Å; A683-M712 HydrophobicContact CB-CB 3.96Å; A683-L721 HydrophobicContact CB-CD1 4.1Å |
| 684 | E | 87.4 | Confident | 87.3 | Confident | 60 Ų | 60 | 40.9 Ų | 40.9 | 28% | 0.28 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.8 | -45.8 | 176.3 | -69.6 | -171.7 | 152.6 | 0 | 0 | 112.9 | E680 L686 L687 Y688 L721 | E680-E684 PolarHBondContact O-N 3.2Å; E684-L686 VanDerWaalsContact C-N 3.26Å; E684-L686 PolarHBondContact O-N 2.93Å; E684-L687 WeakPolarHBondContact O-CB 3.29Å; E684-L687 PolarHBondContact O-N 3.41Å; E684-Y688 HydrophobicContact CB-CE2 4.29Å; E684-Y688 VanDerWaalsContact O-CD2 3.3Å; E684-Y688 WeakPolarHBondContact O-CD2 3.43Å; E684-Y688 PolarHBondContact O-N 3.2Å; E684-L721 HydrophobicContact CG-CD2 3.69Å |
| 685 | A | 88.7 | Confident | 87.3 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.1 | -37.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L670 C681 Y688 V689 | L670-A685 HydrophobicContact CB-CB 4.07Å; L670-A685 HydrophobicContact CD1-CB 4.09Å; C681-A685 VanDerWaalsContact O-CB 3.32Å; C681-A685 WeakPolarHBondContact O-CB 3.4Å; C681-A685 PolarHBondContact O-N 2.83Å; A685-Y688 PolarHBondContact O-N 2.77Å; A685-V689 VanDerWaalsContact O-CG2 3.28Å; A685-V689 WeakPolarHBondContact O-CG2 3.42Å; A685-V689 PolarHBondContact O-N 3.31Å |
| 686 | L | 92.3 | Very high | 87.5 | Confident | 13 Ų | 13 | 37.3 Ų | 37.3 | 7% | 0.068 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.9 | -39.7 | 173.9 | -71.1 | 170.1 | 0 | 0 | 0 | 112.3 | L670 K682 A683 E684 V689 A690 V705 K708 A709 M712 | L670-L686 HydrophobicContact CD1-CD2 3.84Å; L670-L686 HydrophobicContact CD1-CG 3.75Å; L670-L686 HydrophobicContact CD2-CD2 3.77Å; L670-L686 HydrophobicContact CG-CD2 4.49Å; K682-L686 WeakPolarHBondContact O-CG 3.35Å; K682-L686 PolarHBondContact O-N 3.26Å; A683-L686 WeakPolarHBondContact O-CB 3.45Å; A683-L686 PolarHBondContact O-N 3.47Å; E684-L686 VanDerWaalsContact C-N 3.26Å; E684-L686 PolarHBondContact O-N 2.93Å; L686-V689 PolarHBondContact O-N 3.27Å; L686-A690 WeakPolarHBondContact O-CB 3.49Å; L686-A690 PolarHBondContact O-N 3.47Å; L686-V705 HydrophobicContact CB-CG1 4.13Å; L686-V705 HydrophobicContact CD2-CG1 3.95Å; L686-V705 WeakPolarHBondContact O-CG1 3.49Å; L686-K708 HydrophobicContact CD1-CB 4.19Å; L686-A709 HydrophobicContact CB-CB 3.86Å; L686-A709 HydrophobicContact CD1-CB 4.5Å; L686-M712 HydrophobicContact CD1-CE 3.82Å; L686-M712 HydrophobicContact CD1-SD 3.72Å |
| 687 | L | 91.7 | Very high | 87.8 | Confident | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.7 | -44.8 | 176.8 | -64.5 | 171.9 | 0 | 0 | 0 | 111.1 | A683 E684 V689 A690 E691 A709 L721 K724 A725 | A683-L687 WeakPolarHBondContact O-CG 2.85Å; A683-L687 PolarHBondContact O-N 2.74Å; A683-L687 VanDerWaalsContact O-N 3.11Å; E684-L687 WeakPolarHBondContact O-CB 3.29Å; E684-L687 PolarHBondContact O-N 3.41Å; L687-V689 PolarHBondContact O-N 2.66Å; L687-A690 WeakPolarHBondContact O-CB 3.4Å; L687-A690 PolarHBondContact O-N 3.09Å; L687-A690 VanDerWaalsContact O-N 3.16Å; L687-E691 PolarHBondContact O-N 3.05Å; L687-A709 HydrophobicContact CD2-CB 3.49Å; L687-A709 VanDerWaalsContact CD2-CB 3.49Å; L687-A709 HydrophobicContact CG-CB 3.86Å; L687-L721 HydrophobicContact CD1-CD2 3.96Å; L687-K724 HydrophobicContact CD1-CB 3.79Å; L687-K724 HydrophobicContact CD1-CD 4.44Å; L687-A725 VanDerWaalsContact CD2-CA 3.45Å; L687-A725 HydrophobicContact CD2-CB 3.74Å |
| 688 | Y | 91.1 | Very high | 88.2 | Confident | 47 Ų | 47 | 47.9 Ų | 47.9 | 18% | 0.184 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.1 | -38.7 | 176 | -63 | -41.3 | 0 | 0 | 0 | 113.1 | C647 H666 E684 A685 A690 E691 V692 | C647-Y688 WeakPolarHBondContact SG-CE2 3.4Å; H666-Y688 AromaticContact CE1-CD2 3.98Å; H666-Y688 AromaticContact CE1-CG 3.88Å; E684-Y688 HydrophobicContact CB-CE2 4.29Å; E684-Y688 VanDerWaalsContact O-CD2 3.3Å; E684-Y688 WeakPolarHBondContact O-CD2 3.43Å; E684-Y688 PolarHBondContact O-N 3.2Å; A685-Y688 PolarHBondContact O-N 2.77Å; Y688-A690 VanDerWaalsContact C-N 3.32Å; Y688-A690 PolarHBondContact O-N 2.69Å; Y688-E691 PolarHBondContact O-N 3.44Å; Y688-V692 WeakPolarHBondContact O-CG2 3.42Å; Y688-V692 PolarHBondContact O-N 3.44Å; Y688-V692 VanDerWaalsContact O-N 3.12Å |
| 689 | V | 92.6 | Very high | 88.5 | Confident | 10 Ų | 10 | 45.2 Ų | 45.2 | 6% | 0.061 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.2 | -42.6 | 171.5 | 170 | 0 | 0 | 0 | 0 | 110.9 | L663 H666 A685 L686 L687 E691 V692 L693 V705 | L663-V689 HydrophobicContact CD1-CG1 4.01Å; H666-V689 HydrophobicContact CB-CG2 3.68Å; A685-V689 VanDerWaalsContact O-CG2 3.28Å; A685-V689 WeakPolarHBondContact O-CG2 3.42Å; A685-V689 PolarHBondContact O-N 3.31Å; L686-V689 PolarHBondContact O-N 3.27Å; L687-V689 PolarHBondContact O-N 2.66Å; V689-E691 VanDerWaalsContact C-N 3.32Å; V689-E691 PolarHBondContact O-N 2.9Å; V689-V692 PolarHBondContact O-N 3.46Å; V689-L693 HydrophobicContact CG1-CD1 3.77Å; V689-L693 HydrophobicContact CG1-CG 4.3Å; V689-L693 WeakPolarHBondContact O-CB 3.34Å; V689-L693 WeakPolarHBondContact O-CG 3.26Å; V689-L693 PolarHBondContact O-N 2.82Å; V689-V705 HydrophobicContact CB-CG1 4.34Å; V689-V705 HydrophobicContact CG1-CG1 4.16Å |
| 690 | A | 92.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.7 | -40.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | L686 L687 Y688 L693 T694 A702 V705 S706 | L686-A690 WeakPolarHBondContact O-CB 3.49Å; L686-A690 PolarHBondContact O-N 3.47Å; L687-A690 WeakPolarHBondContact O-CB 3.4Å; L687-A690 PolarHBondContact O-N 3.09Å; L687-A690 VanDerWaalsContact O-N 3.16Å; Y688-A690 VanDerWaalsContact C-N 3.32Å; Y688-A690 PolarHBondContact O-N 2.69Å; A690-L693 PolarHBondContact O-N 2.84Å; A690-T694 PolarHBondContact O-N 2.87Å; A690-T694 PolarHBondContact O-OG1 3.24Å; A690-A702 WeakPolarHBondContact O-CB 3.49Å; A690-V705 HydrophobicContact CB-CB 4.29Å; A690-V705 HydrophobicContact CB-CG1 4.05Å; A690-S706 VanDerWaalsContact CB-OG 3.24Å; A690-S706 WeakPolarHBondContact CB-OG 3.04Å |
| 691 | E | 91 | Very high | 89 | Confident | 43 Ų | 43 | 45.1 Ų | 45.1 | 20% | 0.201 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.2 | -49.8 | 176.9 | -168.6 | 175.3 | -150.7 | 0 | 0 | 112.8 | R651 F654 L687 Y688 V689 L693 T694 E695 H728 | R651-E691 IonicContact CZ-OE2 3.54Å; R651-E691 IonicContact NH1-OE2 3.82Å; R651-E691 PolarHBondContact NH1-OE2 3.42Å; R651-E691 IonicContact NH2-OE2 3.73Å; R651-E691 PolarHBondContact NH2-OE2 3.38Å; F654-E691 HydrophobicContact CE1-CG 4.37Å; F654-E691 HydrophobicContact CE2-CG 4.22Å; F654-E691 HydrophobicContact CZ-CG 3.76Å; L687-E691 PolarHBondContact O-N 3.05Å; Y688-E691 PolarHBondContact O-N 3.44Å; V689-E691 VanDerWaalsContact C-N 3.32Å; V689-E691 PolarHBondContact O-N 2.9Å; E691-L693 VanDerWaalsContact C-N 3.27Å; E691-L693 PolarHBondContact O-N 2.94Å; E691-T694 WeakPolarHBondContact O-CB 3.41Å; E691-T694 PolarHBondContact O-N 2.96Å; E691-T694 VanDerWaalsContact O-N 3.1Å; E691-E695 PolarHBondContact O-N 2.96Å; E691-H728 IonicContact OE1-CE1 2.77Å; E691-H728 IonicContact OE2-CE1 3.12Å |
| 692 | V | 90.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.7 | -41.9 | 176.8 | 179.3 | 0 | 0 | 0 | 0 | 110.5 | F654 L659 A662 L663 Y688 V689 T694 E695 M696 | F654-V692 HydrophobicContact CD2-CG2 3.77Å; F654-V692 HydrophobicContact CE2-CG2 4.28Å; L659-V692 HydrophobicContact CB-CG1 4.36Å; L659-V692 WeakPolarHBondContact O-CG1 3.5Å; A662-V692 HydrophobicContact CB-CG2 4.19Å; L663-V692 HydrophobicContact CB-CG1 3.87Å; L663-V692 HydrophobicContact CD1-CB 4.41Å; L663-V692 HydrophobicContact CD1-CG1 4.24Å; Y688-V692 WeakPolarHBondContact O-CG2 3.42Å; Y688-V692 PolarHBondContact O-N 3.44Å; Y688-V692 VanDerWaalsContact O-N 3.12Å; V689-V692 PolarHBondContact O-N 3.46Å; V692-T694 VanDerWaalsContact C-N 3.32Å; V692-T694 PolarHBondContact O-N 2.85Å; V692-E695 PolarHBondContact O-N 3.05Å; V692-M696 HydrophobicContact CG1-CG 4.37Å; V692-M696 HydrophobicContact CG1-SD 4.26Å; V692-M696 VanDerWaalsContact O-CG 3.29Å; V692-M696 WeakPolarHBondContact O-CG 3.25Å; V692-M696 PolarHBondContact O-N 3.27Å |
| 693 | L | 91.3 | Very high | 89.5 | Confident | 11 Ų | 11 | 41.8 Ų | 41.8 | 6% | 0.058 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.9 | -33.7 | 177.4 | -71.1 | 172 | 0 | 0 | 0 | 113 | L663 V689 A690 E691 R697 K698 A702 V705 | L663-L693 HydrophobicContact CD1-CD2 4.15Å; L663-L693 HydrophobicContact CD1-CG 4.18Å; L663-L693 HydrophobicContact CD2-CD2 4.26Å; V689-L693 HydrophobicContact CG1-CD1 3.77Å; V689-L693 HydrophobicContact CG1-CG 4.3Å; V689-L693 WeakPolarHBondContact O-CB 3.34Å; V689-L693 WeakPolarHBondContact O-CG 3.26Å; V689-L693 PolarHBondContact O-N 2.82Å; A690-L693 PolarHBondContact O-N 2.84Å; E691-L693 VanDerWaalsContact C-N 3.27Å; E691-L693 PolarHBondContact O-N 2.94Å; L693-R697 PolarHBondContact O-N 3.5Å; L693-K698 HydrophobicContact CD2-CB 4.22Å; L693-K698 HydrophobicContact CD2-CD 4.08Å; L693-K698 WeakPolarHBondContact O-CA 3.4Å; L693-K698 PolarHBondContact O-N 3.41Å; L693-A702 HydrophobicContact CB-CB 3.84Å; L693-V705 HydrophobicContact CD1-CG2 4.14Å |
| 694 | T | 89.4 | Confident | 89.7 | Confident | 7 Ų | 7 | 48.4 Ų | 48.4 | 4% | 0.043 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.3 | -44.6 | 174.4 | -67.1 | 0 | 0 | 0 | 0 | 110.8 | A690 E691 V692 M696 R697 A702 A731 T735 | A690-T694 PolarHBondContact O-N 2.87Å; A690-T694 PolarHBondContact O-OG1 3.24Å; E691-T694 WeakPolarHBondContact O-CB 3.41Å; E691-T694 PolarHBondContact O-N 2.96Å; E691-T694 VanDerWaalsContact O-N 3.1Å; V692-T694 VanDerWaalsContact C-N 3.32Å; V692-T694 PolarHBondContact O-N 2.85Å; T694-M696 PolarHBondContact O-N 3.41Å; T694-R697 WeakPolarHBondContact O-CA 3.49Å; T694-R697 PolarHBondContact O-N 3.42Å; T694-A702 WeakPolarHBondContact OG1-CB 3.47Å; T694-A731 HydrophobicContact CG2-CB 4.14Å; T694-T735 HydrophobicContact CG2-CG2 3.74Å |
| 695 | E | 86.2 | Confident | 89.9 | Confident | 112 Ų | 112 | 46.8 Ų | 46.8 | 52% | 0.523 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.9 | -37.1 | 175.7 | -72.2 | -53.2 | 135.1 | 0 | 0 | 112.7 | F654 L659 E691 V692 R697 | F654-E695 HydrophobicContact CE2-CB 4.26Å; F654-E695 HydrophobicContact CE2-CG 3.68Å; F654-E695 HydrophobicContact CZ-CG 3.86Å; L659-E695 HydrophobicContact CD1-CB 4.08Å; L659-E695 HydrophobicContact CD2-CB 4.06Å; E691-E695 PolarHBondContact O-N 2.96Å; V692-E695 PolarHBondContact O-N 3.05Å; E695-R697 PolarHBondContact O-N 2.97Å |
| 696 | M | 88.3 | Confident | 90.1 | Very high | 42 Ų | 42 | 46.7 Ų | 46.7 | 21% | 0.207 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | 4.9 | 171.6 | -65.9 | -174.3 | 93.6 | 0 | 0 | 114.1 | L659 D660 L663 V692 T694 K698 | L659-M696 HydrophobicContact CB-CG 3.95Å; L659-M696 HydrophobicContact CD1-CG 3.97Å; D660-M696 WeakPolarHBondContact OD1-CE 3.46Å; L663-M696 HydrophobicContact CD2-SD 4.03Å; V692-M696 HydrophobicContact CG1-CG 4.37Å; V692-M696 HydrophobicContact CG1-SD 4.26Å; V692-M696 VanDerWaalsContact O-CG 3.29Å; V692-M696 WeakPolarHBondContact O-CG 3.25Å; V692-M696 PolarHBondContact O-N 3.27Å; T694-M696 PolarHBondContact O-N 3.41Å; M696-K698 HydrophobicContact CB-CG 4.42Å; M696-K698 PolarHBondContact O-N 3.21Å |
| 697 | R | 84.6 | Confident | 90.1 | Very high | 221 Ų | 221 | 50.8 Ų | 50.8 | 83% | 0.834 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 16.8 | -175.3 | -55.8 | -175.3 | 178.1 | -171.4 | -0.1 | 115.1 | L693 T694 E695 S699 | L693-R697 PolarHBondContact O-N 3.5Å; T694-R697 WeakPolarHBondContact O-CA 3.49Å; T694-R697 PolarHBondContact O-N 3.42Å; E695-R697 PolarHBondContact O-N 2.97Å; R697-S699 PolarHBondContact O-N 2.9Å; R697-S699 VanDerWaalsContact O-N 3.07Å |
| 698 | K | 88.8 | Confident | 90.1 | Very high | 107 Ų | 107 | 56.7 Ų | 56.7 | 47% | 0.465 | 26% | 0.261 | S | S | . | . | trans | -86.7 | 52 | 175.7 | -65.3 | 177.7 | -178.1 | 165.2 | 0 | 111.5 | L693 M696 D700 T701 A702 | L693-K698 HydrophobicContact CD2-CB 4.22Å; L693-K698 HydrophobicContact CD2-CD 4.08Å; L693-K698 WeakPolarHBondContact O-CA 3.4Å; L693-K698 PolarHBondContact O-N 3.41Å; M696-K698 HydrophobicContact CB-CG 4.42Å; M696-K698 PolarHBondContact O-N 3.21Å; K698-D700 PolarHBondContact O-N 3.24Å; K698-T701 WeakPolarHBondContact CB-OG1 3.45Å; K698-T701 PolarHBondContact O-N 3.23Å; K698-T701 VanDerWaalsContact O-N 3.08Å; K698-T701 PolarHBondContact O-OG1 3.43Å; K698-A702 PolarHBondContact O-N 3.35Å; K698-A702 VanDerWaalsContact O-N 3.13Å | ||
| 699 | S | 86 | Confident | 90.2 | Very high | 10 Ų | 10 | 54.5 Ų | 54.5 | 7% | 0.07 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.9 | -38.3 | -165.2 | -45.8 | 0 | 0 | 0 | 0 | 114.8 | R697 T701 A702 L703 T735 M736 | R697-S699 PolarHBondContact O-N 2.9Å; R697-S699 VanDerWaalsContact O-N 3.07Å; S699-T701 VanDerWaalsContact C-N 3.29Å; S699-T701 PolarHBondContact O-N 2.78Å; S699-A702 PolarHBondContact O-N 2.58Å; S699-L703 PolarHBondContact O-N 3.24Å; S699-T735 WeakPolarHBondContact CB-OG1 3.46Å; S699-T735 WeakPolarHBondContact OG-CB 3.26Å; S699-T735 PolarHBondContact OG-OG1 2.84Å; S699-M736 VanDerWaalsContact CB-CG 3.46Å |
| 700 | D | 88.3 | Confident | 90.1 | Very high | 101 Ų | 101 | 54.6 Ų | 54.6 | 54% | 0.54 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.7 | -35.6 | 178 | -71.1 | -53.6 | 0 | 0 | 0 | 112.4 | K698 K704 M736 | K698-D700 PolarHBondContact O-N 3.24Å; D700-K704 WeakPolarHBondContact O-CG 3.44Å; D700-K704 PolarHBondContact O-N 3.02Å; D700-M736 WeakPolarHBondContact OD1-CE 3.37Å |
| 701 | T | 90.3 | Very high | 90.1 | Very high | 63 Ų | 63 | 59.2 Ų | 59.2 | 39% | 0.387 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -75.3 | -38.8 | 176.8 | 64.1 | 0 | 0 | 0 | 0 | 111.3 | K698 S699 L703 K704 V705 | K698-T701 WeakPolarHBondContact CB-OG1 3.45Å; K698-T701 PolarHBondContact O-N 3.23Å; K698-T701 VanDerWaalsContact O-N 3.08Å; K698-T701 PolarHBondContact O-OG1 3.43Å; S699-T701 VanDerWaalsContact C-N 3.29Å; S699-T701 PolarHBondContact O-N 2.78Å; T701-L703 VanDerWaalsContact C-N 3.31Å; T701-L703 PolarHBondContact O-N 3.43Å; T701-K704 PolarHBondContact O-N 3.17Å; T701-V705 WeakPolarHBondContact O-CG2 3.32Å; T701-V705 PolarHBondContact O-N 2.93Å |
| 702 | A | 90.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.4 | -41.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A690 L693 T694 K698 S699 V705 S706 A732 | A690-A702 WeakPolarHBondContact O-CB 3.49Å; L693-A702 HydrophobicContact CB-CB 3.84Å; T694-A702 WeakPolarHBondContact OG1-CB 3.47Å; K698-A702 PolarHBondContact O-N 3.35Å; K698-A702 VanDerWaalsContact O-N 3.13Å; S699-A702 PolarHBondContact O-N 2.58Å; A702-V705 PolarHBondContact O-N 3.2Å; A702-S706 WeakPolarHBondContact O-CB 3.24Å; A702-S706 PolarHBondContact O-N 3.23Å; A702-S706 PolarHBondContact O-OG 3.48Å; A702-A732 HydrophobicContact CB-CB 4.03Å |
| 703 | L | 89.8 | Confident | 90 | Very high | 24 Ų | 24 | 59 Ų | 59 | 13% | 0.126 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.5 | -49.3 | 175.4 | -76.6 | 170.3 | 0 | 0 | 0 | 112.4 | S699 T701 V705 S706 E707 M729 A732 L733 M736 | S699-L703 PolarHBondContact O-N 3.24Å; T701-L703 VanDerWaalsContact C-N 3.31Å; T701-L703 PolarHBondContact O-N 3.43Å; L703-V705 VanDerWaalsContact C-N 3.29Å; L703-V705 PolarHBondContact O-N 2.88Å; L703-S706 PolarHBondContact O-N 3.5Å; L703-E707 WeakPolarHBondContact O-CG 3.37Å; L703-E707 PolarHBondContact O-N 3.29Å; L703-M729 HydrophobicContact CD2-CB 4.18Å; L703-M729 HydrophobicContact CD2-CG 4.45Å; L703-M729 WeakPolarHBondContact CD2-O 3.48Å; L703-A732 HydrophobicContact CD2-CB 3.87Å; L703-A732 HydrophobicContact CG-CB 3.77Å; L703-L733 HydrophobicContact CD1-CD2 3.96Å; L703-L733 HydrophobicContact CD1-CG 4.39Å; L703-L733 HydrophobicContact CD2-CD2 4.39Å; L703-L733 HydrophobicContact CD2-CG 4.02Å; L703-M736 HydrophobicContact CD1-SD 3.77Å |
| 704 | K | 92.1 | Very high | 89.9 | Confident | 141 Ų | 141 | 63.2 Ų | 63.2 | 61% | 0.613 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -61.2 | -37.5 | 178.2 | -69 | 176.2 | -177.1 | 177.3 | 0 | 112.4 | D700 T701 K708 | D700-K704 WeakPolarHBondContact O-CG 3.44Å; D700-K704 PolarHBondContact O-N 3.02Å; T701-K704 PolarHBondContact O-N 3.17Å; K704-K708 WeakPolarHBondContact O-CG 3.38Å; K704-K708 PolarHBondContact O-N 3.04Å |
| 705 | V | 92.5 | Very high | 89.9 | Confident | 25 Ų | 25 | 69.8 Ų | 69.8 | 15% | 0.152 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -70.1 | -42.3 | 177.1 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | L686 V689 A690 L693 T701 A702 L703 E707 K708 A709 | L686-V705 HydrophobicContact CB-CG1 4.13Å; L686-V705 HydrophobicContact CD2-CG1 3.95Å; L686-V705 WeakPolarHBondContact O-CG1 3.49Å; V689-V705 HydrophobicContact CB-CG1 4.34Å; V689-V705 HydrophobicContact CG1-CG1 4.16Å; A690-V705 HydrophobicContact CB-CB 4.29Å; A690-V705 HydrophobicContact CB-CG1 4.05Å; L693-V705 HydrophobicContact CD1-CG2 4.14Å; T701-V705 WeakPolarHBondContact O-CG2 3.32Å; T701-V705 PolarHBondContact O-N 2.93Å; A702-V705 PolarHBondContact O-N 3.2Å; L703-V705 VanDerWaalsContact C-N 3.29Å; L703-V705 PolarHBondContact O-N 2.88Å; V705-E707 VanDerWaalsContact C-N 3.34Å; V705-E707 PolarHBondContact O-N 3.29Å; V705-K708 WeakPolarHBondContact O-CB 3.37Å; V705-K708 PolarHBondContact O-N 3.34Å; V705-A709 PolarHBondContact O-N 3.27Å |
| 706 | S | 91.3 | Very high | 90 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.7 | -38 | 177.1 | -55.5 | 0 | 0 | 0 | 0 | 112.3 | A690 A702 L703 K708 A709 L710 M729 | A690-S706 VanDerWaalsContact CB-OG 3.24Å; A690-S706 WeakPolarHBondContact CB-OG 3.04Å; A702-S706 WeakPolarHBondContact O-CB 3.24Å; A702-S706 PolarHBondContact O-N 3.23Å; A702-S706 PolarHBondContact O-OG 3.48Å; L703-S706 PolarHBondContact O-N 3.5Å; S706-K708 VanDerWaalsContact C-N 3.32Å; S706-K708 PolarHBondContact O-N 2.99Å; S706-A709 PolarHBondContact O-N 2.84Å; S706-L710 WeakPolarHBondContact O-CB 3.48Å; S706-L710 PolarHBondContact O-N 3.23Å; S706-M729 VanDerWaalsContact CB-CG 3.42Å |
| 707 | E | 92.6 | Very high | 90 | Very high | 98 Ų | 98 | 73.4 Ų | 73.4 | 46% | 0.458 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.3 | -38.9 | 173.9 | -75.9 | 177.2 | 174.5 | 0 | 0 | 112.1 | L703 V705 L710 N711 M729 | L703-E707 WeakPolarHBondContact O-CG 3.37Å; L703-E707 PolarHBondContact O-N 3.29Å; V705-E707 VanDerWaalsContact C-N 3.34Å; V705-E707 PolarHBondContact O-N 3.29Å; E707-L710 PolarHBondContact O-N 3.08Å; E707-N711 PolarHBondContact O-N 3.28Å; E707-N711 VanDerWaalsContact O-N 3.07Å; E707-N711 PolarHBondContact O-ND2 3.04Å; E707-M729 HydrophobicContact CG-CE 3.77Å; E707-M729 HydrophobicContact CG-SD 4.47Å |
| 708 | K | 92.6 | Very high | 90.1 | Very high | 128 Ų | 128 | 64 Ų | 64 | 56% | 0.557 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -64 | -43.7 | 173.8 | -70.1 | 176.4 | -178.8 | -177.5 | 0 | 111.4 | L686 K704 V705 S706 N711 M712 | L686-K708 HydrophobicContact CD1-CB 4.19Å; K704-K708 WeakPolarHBondContact O-CG 3.38Å; K704-K708 PolarHBondContact O-N 3.04Å; V705-K708 WeakPolarHBondContact O-CB 3.37Å; V705-K708 PolarHBondContact O-N 3.34Å; S706-K708 VanDerWaalsContact C-N 3.32Å; S706-K708 PolarHBondContact O-N 2.99Å; K708-N711 PolarHBondContact O-N 3.49Å; K708-M712 PolarHBondContact O-N 3.28Å |
| 709 | A | 92 | Very high | 90 | Very high | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.008 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L686 L687 V705 S706 N711 M712 A713 | L686-A709 HydrophobicContact CB-CB 3.86Å; L686-A709 HydrophobicContact CD1-CB 4.5Å; L687-A709 HydrophobicContact CD2-CB 3.49Å; L687-A709 VanDerWaalsContact CD2-CB 3.49Å; L687-A709 HydrophobicContact CG-CB 3.86Å; V705-A709 PolarHBondContact O-N 3.27Å; S706-A709 PolarHBondContact O-N 2.84Å; A709-N711 PolarHBondContact O-N 3.14Å; A709-M712 PolarHBondContact O-N 3.43Å; A709-M712 VanDerWaalsContact O-N 3.17Å; A709-A713 WeakPolarHBondContact O-CB 3.41Å; A709-A713 PolarHBondContact O-N 3.38Å |
| 710 | L | 91.9 | Very high | 90 | Very high | 13 Ų | 13 | 61.8 Ų | 61.8 | 7% | 0.068 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.3 | -42.7 | 176.6 | -179.2 | 64.4 | 0 | 0 | 0 | 112.3 | S706 E707 M712 A713 K714 E722 A725 Y726 M729 | S706-L710 WeakPolarHBondContact O-CB 3.48Å; S706-L710 PolarHBondContact O-N 3.23Å; E707-L710 PolarHBondContact O-N 3.08Å; L710-M712 VanDerWaalsContact C-N 3.29Å; L710-M712 PolarHBondContact O-N 3.38Å; L710-A713 PolarHBondContact O-N 3.43Å; L710-K714 HydrophobicContact CG-CD 4.45Å; L710-K714 WeakPolarHBondContact O-CG 3.43Å; L710-K714 PolarHBondContact O-N 2.95Å; L710-E722 HydrophobicContact CD1-CB 4.5Å; L710-E722 HydrophobicContact CD1-CG 4.37Å; L710-A725 HydrophobicContact CB-CB 3.9Å; L710-A725 HydrophobicContact CD1-CB 4.02Å; L710-Y726 HydrophobicContact CD1-CD1 4.43Å; L710-Y726 HydrophobicContact CD1-CD2 4.41Å; L710-Y726 HydrophobicContact CD1-CE1 4.02Å; L710-Y726 HydrophobicContact CD1-CE2 3.98Å; L710-Y726 HydrophobicContact CD2-CD1 4.29Å; L710-Y726 HydrophobicContact CD2-CE1 3.61Å; L710-Y726 HydrophobicContact CG-CE1 4.49Å; L710-M729 HydrophobicContact CD2-SD 4.18Å |
| 711 | N | 92.2 | Very high | 90 | Very high | 96 Ų | 96 | 57.1 Ų | 57.1 | 51% | 0.513 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.5 | -37.1 | 177.2 | -70.5 | -23.8 | 0 | 0 | 0 | 111.6 | E707 K708 A709 L715 | E707-N711 PolarHBondContact O-N 3.28Å; E707-N711 VanDerWaalsContact O-N 3.07Å; E707-N711 PolarHBondContact O-ND2 3.04Å; K708-N711 PolarHBondContact O-N 3.49Å; A709-N711 PolarHBondContact O-N 3.14Å; N711-L715 VanDerWaalsContact O-CG 3.3Å; N711-L715 WeakPolarHBondContact O-CG 3.31Å; N711-L715 PolarHBondContact O-N 3.36Å; N711-L715 VanDerWaalsContact O-N 3.15Å |
| 712 | M | 90.3 | Very high | 90.1 | Very high | 39 Ų | 39 | 55.6 Ų | 55.6 | 19% | 0.192 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -69.8 | -41.9 | 173.9 | -65.9 | -177.8 | -171.9 | 0 | 0 | 112.2 | K682 A683 L686 K708 A709 L710 K714 L715 L716 | K682-M712 HydrophobicContact CD-CE 4.06Å; K682-M712 HydrophobicContact CD-SD 4.14Å; K682-M712 HydrophobicContact CG-CE 4.45Å; K682-M712 HydrophobicContact CG-SD 4.13Å; A683-M712 HydrophobicContact CB-CB 3.96Å; L686-M712 HydrophobicContact CD1-CE 3.82Å; L686-M712 HydrophobicContact CD1-SD 3.72Å; K708-M712 PolarHBondContact O-N 3.28Å; A709-M712 PolarHBondContact O-N 3.43Å; A709-M712 VanDerWaalsContact O-N 3.17Å; L710-M712 VanDerWaalsContact C-N 3.29Å; L710-M712 PolarHBondContact O-N 3.38Å; M712-K714 VanDerWaalsContact C-N 3.29Å; M712-K714 PolarHBondContact O-N 2.95Å; M712-L715 WeakPolarHBondContact O-CB 3.32Å; M712-L715 PolarHBondContact O-N 3.13Å; M712-L715 VanDerWaalsContact O-N 3.14Å; M712-L716 WeakPolarHBondContact O-CG 3.26Å; M712-L716 PolarHBondContact O-N 3.46Å |
| 713 | A | 89.4 | Confident | 90.1 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.4 | -42.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | A709 L710 L716 Q717 S718 L721 E722 | A709-A713 WeakPolarHBondContact O-CB 3.41Å; A709-A713 PolarHBondContact O-N 3.38Å; L710-A713 PolarHBondContact O-N 3.43Å; A713-L716 CarbonylContact O-C 3.59Å; A713-L716 PolarHBondContact O-N 3.23Å; A713-Q717 PolarHBondContact O-N 3.09Å; A713-S718 PolarHBondContact O-N 3.38Å; A713-S718 VanDerWaalsContact O-N 3.13Å; A713-L721 HydrophobicContact CB-CB 3.55Å; A713-E722 HydrophobicContact CB-CG 3.88Å |
| 714 | K | 89.4 | Confident | 90 | Very high | 99 Ų | 99 | 57.1 Ų | 57.1 | 43% | 0.43 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.9 | -39.4 | 174.5 | -75.2 | 177.1 | 176.1 | -175.3 | 0 | 113.1 | L710 M712 L716 Q717 E722 | L710-K714 HydrophobicContact CG-CD 4.45Å; L710-K714 WeakPolarHBondContact O-CG 3.43Å; L710-K714 PolarHBondContact O-N 2.95Å; M712-K714 VanDerWaalsContact C-N 3.29Å; M712-K714 PolarHBondContact O-N 2.95Å; K714-L716 VanDerWaalsContact C-N 3.31Å; K714-Q717 PolarHBondContact O-N 3.43Å; K714-E722 HydrophobicContact CG-CG 4.36Å; K714-E722 VanDerWaalsContact CG-OE1 3.3Å; K714-E722 WeakPolarHBondContact CG-OE1 3.46Å |
| 715 | L | 89.6 | Confident | 90 | Very high | 145 Ų | 145 | 50.4 Ų | 50.4 | 76% | 0.759 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -63.8 | -38 | 174.8 | -75 | 164.7 | 0 | 0 | 0 | 111.7 | N711 M712 Q717 | N711-L715 VanDerWaalsContact O-CG 3.3Å; N711-L715 WeakPolarHBondContact O-CG 3.31Å; N711-L715 PolarHBondContact O-N 3.36Å; N711-L715 VanDerWaalsContact O-N 3.15Å; M712-L715 WeakPolarHBondContact O-CB 3.32Å; M712-L715 PolarHBondContact O-N 3.13Å; M712-L715 VanDerWaalsContact O-N 3.14Å; L715-Q717 VanDerWaalsContact C-N 3.28Å |
| 716 | L | 86.9 | Confident | 90 | Very high | 68 Ų | 68 | 50.7 Ų | 50.7 | 36% | 0.356 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -9.6 | 176.4 | -68.6 | 172.2 | 0 | 0 | 0 | 113.7 | V679 E680 M712 A713 K714 S718 L721 | V679-L716 HydrophobicContact CB-CD2 4.13Å; V679-L716 HydrophobicContact CG1-CD1 4.1Å; V679-L716 HydrophobicContact CG1-CD2 4.04Å; V679-L716 HydrophobicContact CG1-CG 4.09Å; E680-L716 HydrophobicContact CB-CD1 4.17Å; M712-L716 WeakPolarHBondContact O-CG 3.26Å; M712-L716 PolarHBondContact O-N 3.46Å; A713-L716 CarbonylContact O-C 3.59Å; A713-L716 PolarHBondContact O-N 3.23Å; K714-L716 VanDerWaalsContact C-N 3.31Å; L716-S718 PolarHBondContact O-N 2.77Å; L716-L721 HydrophobicContact CD1-CD1 3.95Å |
| 717 | Q | 88 | Confident | 90 | Very high | 163 Ų | 163 | 50.7 Ų | 50.7 | 76% | 0.762 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 32.9 | -171.3 | -56 | -176.2 | 1.7 | 0 | 0 | 113.2 | A713 K714 L715 P719 | A713-Q717 PolarHBondContact O-N 3.09Å; K714-Q717 PolarHBondContact O-N 3.43Å; L715-Q717 VanDerWaalsContact C-N 3.28Å; Q717-P719 VanDerWaalsContact O-CD 3.26Å; Q717-P719 WeakPolarHBondContact O-CD 3.48Å |
| 718 | S | 86.5 | Confident | 89.8 | Confident | 24 Ų | 24 | 46.5 Ų | 46.5 | 17% | 0.168 | 23% | 0.23 | C | C | . | . | trans | -94.4 | 106.1 | -177.9 | 178.1 | 0 | 0 | 0 | 0 | 111.2 | A713 L716 V720 L721 E722 | A713-S718 PolarHBondContact O-N 3.38Å; A713-S718 VanDerWaalsContact O-N 3.13Å; L716-S718 PolarHBondContact O-N 2.77Å; S718-V720 PolarHBondContact O-N 2.89Å; S718-L721 PolarHBondContact O-N 3.31Å; S718-E722 WeakPolarHBondContact O-CG 3.42Å; S718-E722 PolarHBondContact O-N 3.04Å; S718-E722 VanDerWaalsContact O-N 3.11Å | ||
| 719 | P | 88.4 | Confident | 89.7 | Confident | 30 Ų | 30 | 40.8 Ų | 40.8 | 20% | 0.195 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.8 | -26.7 | -179.5 | 27 | -34.6 | 0 | 0 | 0 | 112.8 | Q717 S723 R755 | Q717-P719 VanDerWaalsContact O-CD 3.26Å; Q717-P719 WeakPolarHBondContact O-CD 3.48Å; P719-S723 PolarHBondContact O-N 3.37Å; P719-R755 HydrophobicContact CB-CB 4.49Å; P719-R755 HydrophobicContact CB-CG 4.42Å |
| 720 | V | 86 | Confident | 89.7 | Confident | 39 Ų | 39 | 40.8 Ų | 40.8 | 24% | 0.236 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.6 | -48.9 | 177 | 179.9 | 0 | 0 | 0 | 0 | 110.5 | S718 E722 S723 K724 | S718-V720 PolarHBondContact O-N 2.89Å; V720-E722 VanDerWaalsContact C-N 3.33Å; V720-E722 PolarHBondContact O-N 3.46Å; V720-S723 WeakPolarHBondContact O-CB 3.34Å; V720-S723 PolarHBondContact O-N 2.86Å; V720-K724 PolarHBondContact O-N 2.84Å |
| 721 | L | 88.1 | Confident | 89.4 | Confident | 4 Ų | 4 | 41.5 Ų | 41.5 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.1 | -34.9 | 178.3 | -66.5 | 177.7 | 0 | 0 | 0 | 111.8 | E680 A683 E684 L687 A713 L716 S718 K724 A725 | E680-L721 HydrophobicContact CG-CD1 4.35Å; A683-L721 HydrophobicContact CB-CD1 4.1Å; E684-L721 HydrophobicContact CG-CD2 3.69Å; L687-L721 HydrophobicContact CD1-CD2 3.96Å; A713-L721 HydrophobicContact CB-CB 3.55Å; L716-L721 HydrophobicContact CD1-CD1 3.95Å; S718-L721 PolarHBondContact O-N 3.31Å; L721-K724 PolarHBondContact O-N 3.44Å; L721-A725 VanDerWaalsContact O-CB 3.31Å; L721-A725 WeakPolarHBondContact O-CB 3.2Å; L721-A725 PolarHBondContact O-N 3.22Å |
| 722 | E | 90.9 | Very high | 89.2 | Confident | 31 Ų | 31 | 36.9 Ų | 36.9 | 15% | 0.145 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.8 | -45.6 | 172.8 | -73.8 | -177.5 | 174.6 | 0 | 0 | 111.6 | L710 A713 K714 S718 V720 A725 Y726 | L710-E722 HydrophobicContact CD1-CB 4.5Å; L710-E722 HydrophobicContact CD1-CG 4.37Å; A713-E722 HydrophobicContact CB-CG 3.88Å; K714-E722 HydrophobicContact CG-CG 4.36Å; K714-E722 VanDerWaalsContact CG-OE1 3.3Å; K714-E722 WeakPolarHBondContact CG-OE1 3.46Å; S718-E722 WeakPolarHBondContact O-CG 3.42Å; S718-E722 PolarHBondContact O-N 3.04Å; S718-E722 VanDerWaalsContact O-N 3.11Å; V720-E722 VanDerWaalsContact C-N 3.33Å; V720-E722 PolarHBondContact O-N 3.46Å; E722-A725 PolarHBondContact O-N 3.24Å; E722-Y726 WeakPolarHBondContact O-CD2 3.41Å; E722-Y726 PolarHBondContact O-N 3.45Å |
| 723 | S | 90.9 | Very high | 89.2 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.007 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60 | -48.1 | 177 | -178.7 | 0 | 0 | 0 | 0 | 112.3 | P719 V720 A725 Y726 S727 A749 S752 | P719-S723 PolarHBondContact O-N 3.37Å; V720-S723 WeakPolarHBondContact O-CB 3.34Å; V720-S723 PolarHBondContact O-N 2.86Å; S723-A725 PolarHBondContact O-N 3.02Å; S723-Y726 PolarHBondContact O-N 2.95Å; S723-S727 WeakPolarHBondContact O-CB 3.5Å; S723-S727 PolarHBondContact O-N 3.48Å; S723-S727 PolarHBondContact O-OG 2.98Å; S723-A749 PolarHBondContact OG-O 3.08Å; S723-S752 WeakPolarHBondContact CA-OG 3.46Å; S723-S752 WeakPolarHBondContact CB-OG 3.34Å; S723-S752 PolarHBondContact N-OG 3.37Å |
| 724 | K | 89.4 | Confident | 89 | Confident | 54 Ų | 54 | 36.4 Ų | 36.4 | 24% | 0.235 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.1 | -45.1 | 177.2 | -70.2 | -177.7 | 178.4 | -178.6 | 0 | 111.3 | L687 V720 L721 Y726 S727 H728 | L687-K724 HydrophobicContact CD1-CB 3.79Å; L687-K724 HydrophobicContact CD1-CD 4.44Å; V720-K724 PolarHBondContact O-N 2.84Å; L721-K724 PolarHBondContact O-N 3.44Å; K724-Y726 PolarHBondContact O-N 2.93Å; K724-S727 WeakPolarHBondContact O-CB 3.47Å; K724-S727 PolarHBondContact O-N 3.39Å; K724-S727 VanDerWaalsContact O-N 3.14Å; K724-H728 PolarHBondContact O-CD2 3.43Å; K724-H728 PolarHBondContact O-N 3.36Å |
| 725 | A | 91.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59 | -48.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L687 L710 L721 E722 S723 S727 H728 M729 | L687-A725 VanDerWaalsContact CD2-CA 3.45Å; L687-A725 HydrophobicContact CD2-CB 3.74Å; L710-A725 HydrophobicContact CB-CB 3.9Å; L710-A725 HydrophobicContact CD1-CB 4.02Å; L721-A725 VanDerWaalsContact O-CB 3.31Å; L721-A725 WeakPolarHBondContact O-CB 3.2Å; L721-A725 PolarHBondContact O-N 3.22Å; E722-A725 PolarHBondContact O-N 3.24Å; S723-A725 PolarHBondContact O-N 3.02Å; A725-S727 VanDerWaalsContact C-N 3.27Å; A725-S727 PolarHBondContact O-N 3.24Å; A725-H728 PolarHBondContact O-N 2.89Å; A725-M729 VanDerWaalsContact O-CG 3.29Å; A725-M729 WeakPolarHBondContact O-CG 3.35Å; A725-M729 PolarHBondContact O-N 3.11Å |
| 726 | Y | 93 | Very high | 88.5 | Confident | 32 Ų | 32 | 29.4 Ų | 29.4 | 13% | 0.125 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.6 | -36.3 | 175.7 | -74.5 | -49.2 | 0 | 0 | 0 | 112.7 | L710 E722 S723 K724 M729 S730 F745 K748 | L710-Y726 HydrophobicContact CD1-CD1 4.43Å; L710-Y726 HydrophobicContact CD1-CD2 4.41Å; L710-Y726 HydrophobicContact CD1-CE1 4.02Å; L710-Y726 HydrophobicContact CD1-CE2 3.98Å; L710-Y726 HydrophobicContact CD2-CD1 4.29Å; L710-Y726 HydrophobicContact CD2-CE1 3.61Å; L710-Y726 HydrophobicContact CG-CE1 4.49Å; E722-Y726 WeakPolarHBondContact O-CD2 3.41Å; E722-Y726 PolarHBondContact O-N 3.45Å; S723-Y726 PolarHBondContact O-N 2.95Å; K724-Y726 PolarHBondContact O-N 2.93Å; Y726-M729 HydrophobicContact CD1-SD 4.31Å; Y726-M729 PolarHBondContact O-N 3.49Å; Y726-S730 PolarHBondContact O-N 3Å; Y726-F745 AromaticContact CD1-CD1 3.67Å; Y726-F745 HydrophobicContact CD1-CD1 3.67Å; Y726-F745 HydrophobicContact CD1-CE1 4.24Å; Y726-F745 HydrophobicContact CE1-CD1 4.09Å; Y726-F745 HydrophobicContact CE1-CE1 4.3Å; Y726-K748 HydrophobicContact CD1-CB 4.4Å; Y726-K748 HydrophobicContact CD2-CB 4.03Å; Y726-K748 HydrophobicContact CE1-CB 4.49Å; Y726-K748 HydrophobicContact CE1-CD 4.22Å; Y726-K748 HydrophobicContact CE2-CB 4.14Å; Y726-K748 HydrophobicContact CG-CB 4.17Å |
| 727 | S | 89.8 | Confident | 88.3 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67 | -42.5 | 177.8 | -61 | 0 | 0 | 0 | 0 | 112.8 | S723 K724 A725 S730 A731 | S723-S727 WeakPolarHBondContact O-CB 3.5Å; S723-S727 PolarHBondContact O-N 3.48Å; S723-S727 PolarHBondContact O-OG 2.98Å; K724-S727 WeakPolarHBondContact O-CB 3.47Å; K724-S727 PolarHBondContact O-N 3.39Å; K724-S727 VanDerWaalsContact O-N 3.14Å; A725-S727 VanDerWaalsContact C-N 3.27Å; A725-S727 PolarHBondContact O-N 3.24Å; S727-S730 WeakPolarHBondContact O-CB 3.41Å; S727-S730 PolarHBondContact O-N 2.95Å; S727-A731 PolarHBondContact O-N 3.36Å |
| 728 | H | 89.7 | Confident | 88.2 | Confident | 10 Ų | 10 | 27.2 Ų | 27.2 | 5% | 0.046 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.9 | -35.7 | 174.7 | -68.5 | -67.1 | 0 | 0 | 0 | 112.4 | E691 K724 A725 S730 A731 A732 | E691-H728 IonicContact OE1-CE1 2.77Å; E691-H728 IonicContact OE2-CE1 3.12Å; K724-H728 PolarHBondContact O-CD2 3.43Å; K724-H728 PolarHBondContact O-N 3.36Å; A725-H728 PolarHBondContact O-N 2.89Å; H728-S730 VanDerWaalsContact C-N 3.33Å; H728-S730 PolarHBondContact O-N 3.32Å; H728-A731 PolarHBondContact O-N 3.28Å; H728-A732 PolarHBondContact O-N 3.3Å |
| 729 | M | 90.8 | Very high | 88 | Confident | 8 Ų | 8 | 29.1 Ų | 29.1 | 4% | 0.039 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.9 | -43.5 | 171.9 | -69.5 | 177.8 | 76.2 | 0 | 0 | 111.5 | L703 S706 E707 L710 A725 Y726 A732 L733 F745 | L703-M729 HydrophobicContact CD2-CB 4.18Å; L703-M729 HydrophobicContact CD2-CG 4.45Å; L703-M729 WeakPolarHBondContact CD2-O 3.48Å; S706-M729 VanDerWaalsContact CB-CG 3.42Å; E707-M729 HydrophobicContact CG-CE 3.77Å; E707-M729 HydrophobicContact CG-SD 4.47Å; L710-M729 HydrophobicContact CD2-SD 4.18Å; A725-M729 VanDerWaalsContact O-CG 3.29Å; A725-M729 WeakPolarHBondContact O-CG 3.35Å; A725-M729 PolarHBondContact O-N 3.11Å; Y726-M729 HydrophobicContact CD1-SD 4.31Å; Y726-M729 PolarHBondContact O-N 3.49Å; M729-A732 PolarHBondContact O-N 3.03Å; M729-L733 WeakPolarHBondContact O-CG 3.29Å; M729-L733 PolarHBondContact O-N 3.05Å; M729-F745 HydrophobicContact CE-CD1 4.41Å; M729-F745 HydrophobicContact CE-CE1 3.7Å; M729-F745 HydrophobicContact CE-CE2 4.44Å; M729-F745 HydrophobicContact CE-CZ 3.71Å; M729-F745 HydrophobicContact SD-CE1 4.28Å |
| 730 | S | 90.4 | Very high | 87.8 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.007 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.2 | -48.8 | 173.6 | 161.1 | 0 | 0 | 0 | 0 | 111.7 | Y726 S727 H728 A732 L733 L734 S742 L746 | Y726-S730 PolarHBondContact O-N 3Å; S727-S730 WeakPolarHBondContact O-CB 3.41Å; S727-S730 PolarHBondContact O-N 2.95Å; H728-S730 VanDerWaalsContact C-N 3.33Å; H728-S730 PolarHBondContact O-N 3.32Å; S730-A732 VanDerWaalsContact C-N 3.35Å; S730-A732 PolarHBondContact O-N 2.79Å; S730-L733 WeakPolarHBondContact O-CB 3.43Å; S730-L733 PolarHBondContact O-N 3.03Å; S730-L734 WeakPolarHBondContact O-CG 3.46Å; S730-L734 PolarHBondContact O-N 3.3Å; S730-S742 PolarHBondContact O-OG 3.37Å; S730-S742 VanDerWaalsContact O-OG 3.12Å; S730-S742 PolarHBondContact OG-OG 3.02Å; S730-L746 WeakPolarHBondContact OG-CD1 3.15Å; S730-L746 VanDerWaalsContact OG-CD2 3.31Å; S730-L746 WeakPolarHBondContact OG-CD2 3.49Å; S730-L746 WeakPolarHBondContact OG-CG 3.44Å |
| 731 | A | 87.2 | Confident | 87.9 | Confident | 27 Ų | 27 | 41.5 Ų | 41.5 | 22% | 0.223 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.6 | -44.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T694 S727 H728 L733 L734 T735 | T694-A731 HydrophobicContact CG2-CB 4.14Å; S727-A731 PolarHBondContact O-N 3.36Å; H728-A731 PolarHBondContact O-N 3.28Å; A731-L733 VanDerWaalsContact C-N 3.29Å; A731-L733 PolarHBondContact O-N 3.47Å; A731-L734 WeakPolarHBondContact O-CB 3.37Å; A731-L734 PolarHBondContact O-N 2.9Å; A731-T735 PolarHBondContact O-N 3.32Å; A731-T735 VanDerWaalsContact O-N 3.14Å |
| 732 | A | 88.2 | Confident | 88 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.7 | -28.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A702 L703 H728 M729 S730 T735 M736 | A702-A732 HydrophobicContact CB-CB 4.03Å; L703-A732 HydrophobicContact CD2-CB 3.87Å; L703-A732 HydrophobicContact CG-CB 3.77Å; H728-A732 PolarHBondContact O-N 3.3Å; M729-A732 PolarHBondContact O-N 3.03Å; S730-A732 VanDerWaalsContact C-N 3.35Å; S730-A732 PolarHBondContact O-N 2.79Å; A732-T735 PolarHBondContact O-OG1 2.7Å; A732-M736 WeakPolarHBondContact O-CG 3.43Å; A732-M736 PolarHBondContact O-N 3.25Å |
| 733 | L | 89 | Confident | 87.8 | Confident | 8 Ų | 8 | 41.2 Ų | 41.2 | 4% | 0.042 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -76.7 | -32.2 | 172.9 | -72.6 | 166.3 | 0 | 0 | 0 | 112.5 | L703 M729 S730 A731 M736 S737 K738 R741 F745 | L703-L733 HydrophobicContact CD1-CD2 3.96Å; L703-L733 HydrophobicContact CD1-CG 4.39Å; L703-L733 HydrophobicContact CD2-CD2 4.39Å; L703-L733 HydrophobicContact CD2-CG 4.02Å; M729-L733 WeakPolarHBondContact O-CG 3.29Å; M729-L733 PolarHBondContact O-N 3.05Å; S730-L733 WeakPolarHBondContact O-CB 3.43Å; S730-L733 PolarHBondContact O-N 3.03Å; A731-L733 VanDerWaalsContact C-N 3.29Å; A731-L733 PolarHBondContact O-N 3.47Å; L733-M736 CarbonylContact O-C 3.59Å; L733-M736 PolarHBondContact O-N 3.43Å; L733-S737 PolarHBondContact O-N 3.03Å; L733-K738 HydrophobicContact CB-CB 4.38Å; L733-K738 HydrophobicContact CD2-CB 4.09Å; L733-K738 HydrophobicContact CD2-CD 3.92Å; L733-K738 PolarHBondContact O-N 3.38Å; L733-R741 HydrophobicContact CD1-CB 3.99Å; L733-F745 HydrophobicContact CD1-CD2 3.38Å; L733-F745 HydrophobicContact CD1-CE2 3.51Å |
| 734 | L | 85.1 | Confident | 87.9 | Confident | 20 Ų | 20 | 43.7 Ų | 43.7 | 11% | 0.105 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.4 | -38.8 | 174.8 | -70 | 173.1 | 0 | 0 | 0 | 111.9 | S730 A731 M736 S737 S742 C772 | S730-L734 WeakPolarHBondContact O-CG 3.46Å; S730-L734 PolarHBondContact O-N 3.3Å; A731-L734 WeakPolarHBondContact O-CB 3.37Å; A731-L734 PolarHBondContact O-N 2.9Å; L734-M736 PolarHBondContact O-N 3.5Å; L734-S737 PolarHBondContact O-N 3.16Å; L734-S737 VanDerWaalsContact O-N 3.15Å; L734-S742 WeakPolarHBondContact CD2-OG 3.43Å; L734-S742 VanDerWaalsContact CG-OG 3.25Å; L734-S742 WeakPolarHBondContact CG-OG 3.07Å; L734-C772 HydrophobicContact CD1-CB 4.26Å; L734-C772 HydrophobicContact CD2-CB 4.1Å |
| 735 | T | 83.5 | Confident | 88 | Confident | 54 Ų | 54 | 43 Ų | 43 | 33% | 0.331 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -67.5 | -25 | 174.1 | 52.7 | 0 | 0 | 0 | 0 | 112.6 | T694 S699 A731 A732 S737 | T694-T735 HydrophobicContact CG2-CG2 3.74Å; S699-T735 WeakPolarHBondContact CB-OG1 3.46Å; S699-T735 WeakPolarHBondContact OG-CB 3.26Å; S699-T735 PolarHBondContact OG-OG1 2.84Å; A731-T735 PolarHBondContact O-N 3.32Å; A731-T735 VanDerWaalsContact O-N 3.14Å; A732-T735 PolarHBondContact O-OG1 2.7Å; T735-S737 VanDerWaalsContact C-N 3.32Å |
| 736 | M | 85.4 | Confident | 87.9 | Confident | 43 Ų | 43 | 43 Ų | 43 | 21% | 0.212 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 9.3 | 172.2 | -62.7 | -178 | 83.4 | 0 | 0 | 114 | S699 D700 L703 A732 L733 L734 K738 | S699-M736 VanDerWaalsContact CB-CG 3.46Å; D700-M736 WeakPolarHBondContact OD1-CE 3.37Å; L703-M736 HydrophobicContact CD1-SD 3.77Å; A732-M736 WeakPolarHBondContact O-CG 3.43Å; A732-M736 PolarHBondContact O-N 3.25Å; L733-M736 CarbonylContact O-C 3.59Å; L733-M736 PolarHBondContact O-N 3.43Å; L734-M736 PolarHBondContact O-N 3.5Å; M736-K738 HydrophobicContact CB-CD 4.38Å; M736-K738 HydrophobicContact CB-CG 4.33Å; M736-K738 PolarHBondContact O-N 3.06Å; M736-K738 VanDerWaalsContact O-N 3.14Å |
| 737 | S | 82.5 | Confident | 87.9 | Confident | 97 Ų | 97 | 46.1 Ų | 46.1 | 68% | 0.678 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 20.7 | -173.9 | 61.3 | 0 | 0 | 0 | 0 | 115.7 | L733 L734 T735 M739 | L733-S737 PolarHBondContact O-N 3.03Å; L734-S737 PolarHBondContact O-N 3.16Å; L734-S737 VanDerWaalsContact O-N 3.15Å; T735-S737 VanDerWaalsContact C-N 3.32Å; S737-M739 PolarHBondContact O-N 3.18Å |
| 738 | K | 86.8 | Confident | 88 | Confident | 89 Ų | 89 | 51 Ų | 51 | 39% | 0.387 | 26% | 0.258 | S | S | . | . | trans | -91.9 | 66.7 | 178.7 | -68.8 | 177.5 | -176.1 | 168.5 | 0 | 111.3 | L733 M736 E740 R741 S742 | L733-K738 HydrophobicContact CB-CB 4.38Å; L733-K738 HydrophobicContact CD2-CB 4.09Å; L733-K738 HydrophobicContact CD2-CD 3.92Å; L733-K738 PolarHBondContact O-N 3.38Å; M736-K738 HydrophobicContact CB-CD 4.38Å; M736-K738 HydrophobicContact CB-CG 4.33Å; M736-K738 PolarHBondContact O-N 3.06Å; M736-K738 VanDerWaalsContact O-N 3.14Å; K738-E740 PolarHBondContact O-N 3.13Å; K738-R741 PolarHBondContact O-N 3.36Å; K738-S742 PolarHBondContact O-N 2.88Å; K738-S742 VanDerWaalsContact O-N 3.12Å | ||
| 739 | M | 81.8 | Confident | 88 | Confident | 63 Ų | 63 | 50.6 Ų | 50.6 | 31% | 0.31 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.1 | -43.3 | -166.6 | -59 | 174.3 | 179.3 | 0 | 0 | 114.2 | S737 R741 S742 M743 R775 Q776 | S737-M739 PolarHBondContact O-N 3.18Å; M739-R741 PolarHBondContact O-N 3.29Å; M739-S742 WeakPolarHBondContact O-CB 3.33Å; M739-S742 PolarHBondContact O-N 2.98Å; M739-M743 PolarHBondContact O-N 2.98Å; M739-R775 HydrophobicContact CE-CB 4.48Å; M739-R775 VanDerWaalsContact CE-O 3.25Å; M739-R775 WeakPolarHBondContact CE-O 3.29Å; M739-Q776 HydrophobicContact CB-CG 3.96Å; M739-Q776 HydrophobicContact CG-CG 4.12Å; M739-Q776 HydrophobicContact SD-CB 4.24Å; M739-Q776 HydrophobicContact SD-CG 3.39Å; M739-Q776 WeakPolarHBondContact SD-CG 3.11Å |
| 740 | E | 84.6 | Confident | 88 | Confident | 167 Ų | 167 | 53.6 Ų | 53.6 | 78% | 0.78 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -62.1 | -44.4 | -179.5 | -66 | -179.2 | 170.2 | 0 | 0 | 112.7 | K738 S742 M743 S744 | K738-E740 PolarHBondContact O-N 3.13Å; E740-S742 VanDerWaalsContact C-N 3.31Å; E740-S742 PolarHBondContact O-N 3.21Å; E740-M743 PolarHBondContact O-N 3.3Å; E740-S744 PolarHBondContact O-N 3.18Å; E740-S744 VanDerWaalsContact O-N 3.1Å |
| 741 | R | 88.1 | Confident | 88.1 | Confident | 162 Ų | 162 | 61.3 Ų | 61.3 | 61% | 0.611 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -64.4 | -40.9 | 176.5 | -69.2 | -170.3 | -178.6 | -171.9 | 1.3 | 110.7 | L733 K738 M739 M743 S744 F745 | L733-R741 HydrophobicContact CD1-CB 3.99Å; K738-R741 PolarHBondContact O-N 3.36Å; M739-R741 PolarHBondContact O-N 3.29Å; R741-M743 PolarHBondContact O-N 3.36Å; R741-S744 WeakPolarHBondContact O-CB 3.42Å; R741-S744 PolarHBondContact O-N 3.28Å; R741-S744 PolarHBondContact O-OG 3.37Å; R741-F745 WeakPolarHBondContact O-CD2 3.37Å; R741-F745 PolarHBondContact O-N 3.13Å |
| 742 | S | 89.1 | Confident | 88.2 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.4 | -49.1 | 175.4 | 179.6 | 0 | 0 | 0 | 0 | 111.6 | S730 L734 K738 M739 E740 S744 F745 L746 | S730-S742 PolarHBondContact O-OG 3.37Å; S730-S742 VanDerWaalsContact O-OG 3.12Å; S730-S742 PolarHBondContact OG-OG 3.02Å; L734-S742 WeakPolarHBondContact CD2-OG 3.43Å; L734-S742 VanDerWaalsContact CG-OG 3.25Å; L734-S742 WeakPolarHBondContact CG-OG 3.07Å; K738-S742 PolarHBondContact O-N 2.88Å; K738-S742 VanDerWaalsContact O-N 3.12Å; M739-S742 WeakPolarHBondContact O-CB 3.33Å; M739-S742 PolarHBondContact O-N 2.98Å; E740-S742 VanDerWaalsContact C-N 3.31Å; E740-S742 PolarHBondContact O-N 3.21Å; S742-S744 VanDerWaalsContact C-N 3.29Å; S742-S744 PolarHBondContact O-N 2.79Å; S742-F745 PolarHBondContact O-N 3.17Å; S742-L746 PolarHBondContact O-N 3.08Å |
| 743 | M | 88.3 | Confident | 88.1 | Confident | 30 Ų | 30 | 60.2 Ų | 60.2 | 15% | 0.148 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.5 | -39.1 | 177.9 | -171.3 | 57.9 | 72 | 0 | 0 | 112.3 | M739 E740 R741 F745 L746 L747 M769 C772 H773 | M739-M743 PolarHBondContact O-N 2.98Å; E740-M743 PolarHBondContact O-N 3.3Å; R741-M743 PolarHBondContact O-N 3.36Å; M743-F745 VanDerWaalsContact C-N 3.27Å; M743-F745 PolarHBondContact O-N 3.39Å; M743-L746 PolarHBondContact O-N 3.45Å; M743-L747 WeakPolarHBondContact O-CG 3.49Å; M743-L747 PolarHBondContact O-N 3.47Å; M743-M769 HydrophobicContact SD-CE 4.15Å; M743-C772 HydrophobicContact CE-CB 3.97Å; M743-H773 VanDerWaalsContact CE-NE2 3.33Å; M743-H773 WeakPolarHBondContact CE-NE2 3.45Å |
| 744 | S | 91.1 | Very high | 88.1 | Confident | 52 Ų | 52 | 64.5 Ų | 64.5 | 36% | 0.364 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.8 | -33 | 176.1 | 82.3 | 0 | 0 | 0 | 0 | 113.4 | E740 R741 S742 K748 | E740-S744 PolarHBondContact O-N 3.18Å; E740-S744 VanDerWaalsContact O-N 3.1Å; R741-S744 WeakPolarHBondContact O-CB 3.42Å; R741-S744 PolarHBondContact O-N 3.28Å; R741-S744 PolarHBondContact O-OG 3.37Å; S742-S744 VanDerWaalsContact C-N 3.29Å; S742-S744 PolarHBondContact O-N 2.79Å; S744-K748 WeakPolarHBondContact O-CG 3.39Å; S744-K748 PolarHBondContact O-N 3.32Å |
| 745 | F | 92 | Very high | 88.3 | Confident | 41 Ų | 41 | 71.3 Ų | 71.3 | 18% | 0.18 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -78.9 | -35.4 | 175.7 | -76.2 | -68.2 | 0 | 0 | 0 | 112 | Y726 M729 L733 R741 S742 M743 L747 K748 A749 | Y726-F745 AromaticContact CD1-CD1 3.67Å; Y726-F745 HydrophobicContact CD1-CD1 3.67Å; Y726-F745 HydrophobicContact CD1-CE1 4.24Å; Y726-F745 HydrophobicContact CE1-CD1 4.09Å; Y726-F745 HydrophobicContact CE1-CE1 4.3Å; M729-F745 HydrophobicContact CE-CD1 4.41Å; M729-F745 HydrophobicContact CE-CE1 3.7Å; M729-F745 HydrophobicContact CE-CE2 4.44Å; M729-F745 HydrophobicContact CE-CZ 3.71Å; M729-F745 HydrophobicContact SD-CE1 4.28Å; L733-F745 HydrophobicContact CD1-CD2 3.38Å; L733-F745 HydrophobicContact CD1-CE2 3.51Å; R741-F745 WeakPolarHBondContact O-CD2 3.37Å; R741-F745 PolarHBondContact O-N 3.13Å; S742-F745 PolarHBondContact O-N 3.17Å; M743-F745 VanDerWaalsContact C-N 3.27Å; M743-F745 PolarHBondContact O-N 3.39Å; F745-L747 VanDerWaalsContact C-N 3.34Å; F745-L747 PolarHBondContact O-N 3.35Å; F745-K748 HydrophobicContact CD1-CD 4.39Å; F745-K748 WeakPolarHBondContact O-CB 3.37Å; F745-K748 PolarHBondContact O-N 3.29Å; F745-K748 VanDerWaalsContact O-N 3.15Å; F745-A749 PolarHBondContact O-N 3.43Å |
| 746 | L | 90.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.5 | -38.4 | 174 | -70 | 170.3 | 0 | 0 | 0 | 112.4 | S730 S742 M743 K748 A749 K750 K768 M769 C772 | S730-L746 WeakPolarHBondContact OG-CD1 3.15Å; S730-L746 VanDerWaalsContact OG-CD2 3.31Å; S730-L746 WeakPolarHBondContact OG-CD2 3.49Å; S730-L746 WeakPolarHBondContact OG-CG 3.44Å; S742-L746 PolarHBondContact O-N 3.08Å; M743-L746 PolarHBondContact O-N 3.45Å; L746-K748 VanDerWaalsContact C-N 3.28Å; L746-K748 PolarHBondContact O-N 3.37Å; L746-A749 WeakPolarHBondContact O-CB 3.15Å; L746-A749 PolarHBondContact O-N 3.36Å; L746-K750 WeakPolarHBondContact O-CB 3.32Å; L746-K750 PolarHBondContact O-N 3.5Å; L746-K768 HydrophobicContact CD2-CB 3.65Å; L746-M769 HydrophobicContact CB-CG 3.87Å; L746-M769 HydrophobicContact CD1-CG 4.07Å; L746-M769 HydrophobicContact CG-CG 4.41Å; L746-C772 HydrophobicContact CD1-CB 3.85Å |
| 747 | L | 91.5 | Very high | 88.1 | Confident | 97 Ų | 97 | 76.7 Ų | 76.7 | 51% | 0.508 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.2 | -36.6 | 173.3 | -71 | 173 | 0 | 0 | 0 | 112.1 | M743 F745 Y751 M769 | M743-L747 WeakPolarHBondContact O-CG 3.49Å; M743-L747 PolarHBondContact O-N 3.47Å; F745-L747 VanDerWaalsContact C-N 3.34Å; F745-L747 PolarHBondContact O-N 3.35Å; L747-Y751 PolarHBondContact O-N 2.86Å; L747-M769 HydrophobicContact CD2-CE 4.23Å |
| 748 | K | 92.1 | Very high | 88 | Confident | 103 Ų | 103 | 74.1 Ų | 74.1 | 45% | 0.448 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -69.4 | -43 | 173.2 | -68.2 | 173.8 | -176.5 | 173.1 | 0 | 111.6 | Y726 S744 F745 L746 K750 Y751 S752 | Y726-K748 HydrophobicContact CD1-CB 4.4Å; Y726-K748 HydrophobicContact CD2-CB 4.03Å; Y726-K748 HydrophobicContact CE1-CB 4.49Å; Y726-K748 HydrophobicContact CE1-CD 4.22Å; Y726-K748 HydrophobicContact CE2-CB 4.14Å; Y726-K748 HydrophobicContact CG-CB 4.17Å; S744-K748 WeakPolarHBondContact O-CG 3.39Å; S744-K748 PolarHBondContact O-N 3.32Å; F745-K748 HydrophobicContact CD1-CD 4.39Å; F745-K748 WeakPolarHBondContact O-CB 3.37Å; F745-K748 PolarHBondContact O-N 3.29Å; F745-K748 VanDerWaalsContact O-N 3.15Å; L746-K748 VanDerWaalsContact C-N 3.28Å; L746-K748 PolarHBondContact O-N 3.37Å; K748-K750 VanDerWaalsContact C-N 3.28Å; K748-K750 PolarHBondContact O-N 3.34Å; K748-Y751 PolarHBondContact O-N 2.89Å; K748-S752 PolarHBondContact O-N 3.03Å; K748-S752 PolarHBondContact O-OG 3.38Å; K748-S752 VanDerWaalsContact O-OG 3.04Å |
| 749 | A | 90.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -56.7 | -44.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111 | S723 F745 L746 Y751 S752 A753 V765 | S723-A749 PolarHBondContact OG-O 3.08Å; F745-A749 PolarHBondContact O-N 3.43Å; L746-A749 WeakPolarHBondContact O-CB 3.15Å; L746-A749 PolarHBondContact O-N 3.36Å; A749-Y751 PolarHBondContact O-N 2.96Å; A749-S752 VanDerWaalsContact CA-OG 3.3Å; A749-S752 WeakPolarHBondContact CA-OG 3.34Å; A749-S752 PolarHBondContact O-N 3.43Å; A749-S752 PolarHBondContact O-OG 3.41Å; A749-A753 WeakPolarHBondContact O-CB 3.3Å; A749-A753 PolarHBondContact O-N 3.5Å; A749-V765 HydrophobicContact CB-CG1 4.17Å; A749-V765 HydrophobicContact CB-CG2 3.82Å |
| 750 | K | 90.4 | Very high | 87.9 | Confident | 72 Ų | 72 | 71.3 Ų | 71.3 | 31% | 0.313 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58.5 | -49 | 177 | -176.7 | 179 | 171.8 | -179.7 | 0 | 111.6 | L746 K748 S752 A753 E754 V765 M769 | L746-K750 WeakPolarHBondContact O-CB 3.32Å; L746-K750 PolarHBondContact O-N 3.5Å; K748-K750 VanDerWaalsContact C-N 3.28Å; K748-K750 PolarHBondContact O-N 3.34Å; K750-S752 VanDerWaalsContact C-N 3.33Å; K750-S752 PolarHBondContact O-N 3.01Å; K750-A753 PolarHBondContact O-N 3.33Å; K750-E754 WeakPolarHBondContact CE-OE1 3.4Å; K750-E754 IonicContact NZ-OE1 2.84Å; K750-E754 WeakPolarHBondContact O-CG 3.47Å; K750-E754 PolarHBondContact O-N 2.79Å; K750-V765 HydrophobicContact CB-CG1 3.79Å; K750-M769 HydrophobicContact CD-SD 4.33Å |
| 751 | Y | 91.1 | Very high | 87.9 | Confident | 162 Ų | 162 | 63.4 Ų | 63.4 | 64% | 0.635 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -59.3 | -41.8 | 176.9 | -179.8 | -98.6 | 0 | 0 | 0 | 112.4 | L747 K748 A749 R755 | L747-Y751 PolarHBondContact O-N 2.86Å; K748-Y751 PolarHBondContact O-N 2.89Å; A749-Y751 PolarHBondContact O-N 2.96Å; Y751-R755 WeakPolarHBondContact O-CB 3.36Å; Y751-R755 PolarHBondContact O-N 2.93Å; Y751-R755 VanDerWaalsContact O-N 3.13Å |
| 752 | S | 89.5 | Confident | 87.8 | Confident | 4 Ų | 4 | 56.8 Ų | 56.8 | 3% | 0.028 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68 | -37 | 175.6 | 40.9 | 0 | 0 | 0 | 0 | 113.5 | S723 K748 A749 K750 R755 S756 | S723-S752 WeakPolarHBondContact CA-OG 3.46Å; S723-S752 WeakPolarHBondContact CB-OG 3.34Å; S723-S752 PolarHBondContact N-OG 3.37Å; K748-S752 PolarHBondContact O-N 3.03Å; K748-S752 PolarHBondContact O-OG 3.38Å; K748-S752 VanDerWaalsContact O-OG 3.04Å; A749-S752 VanDerWaalsContact CA-OG 3.3Å; A749-S752 WeakPolarHBondContact CA-OG 3.34Å; A749-S752 PolarHBondContact O-N 3.43Å; A749-S752 PolarHBondContact O-OG 3.41Å; K750-S752 VanDerWaalsContact C-N 3.33Å; K750-S752 PolarHBondContact O-N 3.01Å; S752-R755 PolarHBondContact O-N 3.41Å; S752-S756 PolarHBondContact O-N 3.44Å |
| 753 | A | 87.1 | Confident | 87.8 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.9 | -41.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | A749 K750 R755 S756 K757 A761 I762 V765 | A749-A753 WeakPolarHBondContact O-CB 3.3Å; A749-A753 PolarHBondContact O-N 3.5Å; K750-A753 PolarHBondContact O-N 3.33Å; A753-R755 VanDerWaalsContact C-N 3.26Å; A753-R755 PolarHBondContact O-N 3.22Å; A753-S756 PolarHBondContact O-N 3.45Å; A753-S756 PolarHBondContact O-OG 2.87Å; A753-K757 PolarHBondContact O-N 3.07Å; A753-A761 HydrophobicContact CB-CB 3.98Å; A753-I762 HydrophobicContact CB-CG1 3.86Å; A753-V765 HydrophobicContact CB-CG2 4.39Å |
| 754 | E | 88.7 | Confident | 87.6 | Confident | 99 Ų | 99 | 58.5 Ų | 58.5 | 46% | 0.463 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.5 | -34.8 | 174.7 | -72.4 | 173.7 | 172.2 | 0 | 0 | 111.5 | K750 K757 I762 | K750-E754 WeakPolarHBondContact CE-OE1 3.4Å; K750-E754 IonicContact NZ-OE1 2.84Å; K750-E754 WeakPolarHBondContact O-CG 3.47Å; K750-E754 PolarHBondContact O-N 2.79Å; E754-K757 PolarHBondContact O-N 3.48Å; E754-I762 HydrophobicContact CG-CD1 4.47Å |
| 755 | R | 88.5 | Confident | 87.6 | Confident | 162 Ų | 162 | 56.1 Ų | 56.1 | 61% | 0.611 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -69.7 | -32.1 | 174.9 | -174.4 | 178.2 | 171.6 | -165.6 | -3.3 | 113.1 | P719 Y751 S752 A753 K757 | P719-R755 HydrophobicContact CB-CB 4.49Å; P719-R755 HydrophobicContact CB-CG 4.42Å; Y751-R755 WeakPolarHBondContact O-CB 3.36Å; Y751-R755 PolarHBondContact O-N 2.93Å; Y751-R755 VanDerWaalsContact O-N 3.13Å; S752-R755 PolarHBondContact O-N 3.41Å; A753-R755 VanDerWaalsContact C-N 3.26Å; A753-R755 PolarHBondContact O-N 3.22Å; R755-K757 VanDerWaalsContact C-N 3.27Å; R755-K757 PolarHBondContact O-N 2.96Å |
| 756 | S | 84.1 | Confident | 87.5 | Confident | 27 Ų | 27 | 54.9 Ų | 54.9 | 19% | 0.189 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -73.8 | -19.1 | 178.2 | 68.3 | 0 | 0 | 0 | 0 | 113.2 | S752 A753 D758 | S752-S756 PolarHBondContact O-N 3.44Å; A753-S756 PolarHBondContact O-N 3.45Å; A753-S756 PolarHBondContact O-OG 2.87Å; S756-D758 PolarHBondContact O-N 2.9Å; S756-D758 WeakPolarHBondContact OG-CB 3.34Å; S756-D758 PolarHBondContact OG-N 2.83Å |
| 757 | K | 81.9 | Confident | 87.4 | Confident | 183 Ų | 183 | 55.3 Ų | 55.3 | 80% | 0.796 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 19.1 | -170.2 | -56.4 | -179.5 | 177.9 | 179.1 | 0 | 113.5 | A753 E754 R755 P759 | A753-K757 PolarHBondContact O-N 3.07Å; E754-K757 PolarHBondContact O-N 3.48Å; R755-K757 VanDerWaalsContact C-N 3.27Å; R755-K757 PolarHBondContact O-N 2.96Å; K757-P759 WeakPolarHBondContact O-CD 3.28Å |
| 758 | D | 79.4 | Confident | 87.2 | Confident | 44 Ų | 44 | 52.4 Ų | 52.4 | 24% | 0.235 | 24% | 0.241 | C | C | . | . | trans | -87.3 | 112.7 | 177.4 | -177.9 | -3.5 | 0 | 0 | 0 | 109.3 | S756 T760 A761 I762 | S756-D758 PolarHBondContact O-N 2.9Å; S756-D758 WeakPolarHBondContact OG-CB 3.34Å; S756-D758 PolarHBondContact OG-N 2.83Å; D758-T760 VanDerWaalsContact C-N 3.26Å; D758-T760 VanDerWaalsContact CG-OG1 3.28Å; D758-T760 PolarHBondContact O-N 3.27Å; D758-T760 PolarHBondContact OD1-N 3.35Å; D758-T760 VanDerWaalsContact OD1-N 3.08Å; D758-T760 PolarHBondContact OD1-OG1 2.75Å; D758-T760 PolarHBondContact OD2-OG1 2.8Å; D758-A761 HydrophobicContact CB-CB 4.05Å; D758-A761 PolarHBondContact O-N 2.83Å; D758-I762 WeakPolarHBondContact O-CG1 3.39Å; D758-I762 PolarHBondContact O-N 2.9Å | ||
| 759 | P | 83.9 | Confident | 87.1 | Confident | 35 Ų | 35 | 48.2 Ų | 48.2 | 23% | 0.227 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.8 | -28.5 | -176 | 29.6 | -36 | 0 | 0 | 0 | 112.3 | K757 I762 C763 F792 H796 L798 | K757-P759 WeakPolarHBondContact O-CD 3.28Å; P759-I762 PolarHBondContact O-N 2.75Å; P759-C763 PolarHBondContact O-N 3.35Å; P759-C763 VanDerWaalsContact O-N 3.09Å; P759-C763 PolarHBondContact O-SG 2.87Å; P759-F792 HydrophobicContact CB-CE1 3.91Å; P759-F792 HydrophobicContact CB-CZ 4.4Å; P759-H796 HydrophobicContact CB-CB 3.97Å; P759-L798 HydrophobicContact CB-CD1 3.91Å; P759-L798 HydrophobicContact CG-CD1 4.34Å |
| 760 | T | 83.5 | Confident | 87 | Confident | 57 Ų | 57 | 48.2 Ų | 48.2 | 35% | 0.35 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -68.7 | -43.7 | 179.3 | 64.1 | 0 | 0 | 0 | 0 | 111.1 | D758 I762 C763 E764 L798 | D758-T760 VanDerWaalsContact C-N 3.26Å; D758-T760 VanDerWaalsContact CG-OG1 3.28Å; D758-T760 PolarHBondContact O-N 3.27Å; D758-T760 PolarHBondContact OD1-N 3.35Å; D758-T760 VanDerWaalsContact OD1-N 3.08Å; D758-T760 PolarHBondContact OD1-OG1 2.75Å; D758-T760 PolarHBondContact OD2-OG1 2.8Å; T760-I762 VanDerWaalsContact C-N 3.29Å; T760-I762 PolarHBondContact O-N 2.92Å; T760-C763 WeakPolarHBondContact O-CB 3.16Å; T760-C763 PolarHBondContact O-N 2.7Å; T760-E764 PolarHBondContact O-N 2.85Å; T760-L798 HydrophobicContact CG2-CD1 4.27Å; T760-L798 HydrophobicContact CG2-CD2 4.02Å |
| 761 | A | 83.4 | Confident | 86.8 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.8 | -35.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A753 D758 V765 | A753-A761 HydrophobicContact CB-CB 3.98Å; D758-A761 HydrophobicContact CB-CB 4.05Å; D758-A761 PolarHBondContact O-N 2.83Å; A761-V765 VanDerWaalsContact O-CG2 3.31Å; A761-V765 WeakPolarHBondContact O-CG2 3.13Å; A761-V765 PolarHBondContact O-N 3.31Å |
| 762 | I | 87.4 | Confident | 86.7 | Confident | 24 Ų | 24 | 39.4 Ų | 39.4 | 12% | 0.123 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -69 | -44.9 | 176.7 | -64.3 | 167.6 | 0 | 0 | 0 | 110.5 | A753 E754 D758 P759 T760 E764 V765 L766 F792 | A753-I762 HydrophobicContact CB-CG1 3.86Å; E754-I762 HydrophobicContact CG-CD1 4.47Å; D758-I762 WeakPolarHBondContact O-CG1 3.39Å; D758-I762 PolarHBondContact O-N 2.9Å; P759-I762 PolarHBondContact O-N 2.75Å; T760-I762 VanDerWaalsContact C-N 3.29Å; T760-I762 PolarHBondContact O-N 2.92Å; I762-E764 PolarHBondContact O-N 2.91Å; I762-V765 PolarHBondContact O-N 2.8Å; I762-L766 HydrophobicContact CG2-CD1 4.13Å; I762-L766 WeakPolarHBondContact O-CG 3.31Å; I762-L766 PolarHBondContact O-N 3.5Å; I762-F792 HydrophobicContact CB-CE1 3.82Å; I762-F792 HydrophobicContact CB-CZ 4.01Å; I762-F792 HydrophobicContact CD1-CE1 4.3Å; I762-F792 HydrophobicContact CD1-CE2 4.48Å; I762-F792 HydrophobicContact CD1-CZ 3.7Å; I762-F792 HydrophobicContact CG1-CZ 4.47Å; I762-F792 HydrophobicContact CG2-CD1 4.13Å; I762-F792 HydrophobicContact CG2-CE1 3.76Å; I762-F792 HydrophobicContact CG2-CE2 4.17Å; I762-F792 HydrophobicContact CG2-CG 4.48Å; I762-F792 HydrophobicContact CG2-CZ 3.79Å |
| 763 | C | 87.9 | Confident | 86.6 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.007 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.1 | -47.2 | 174.6 | -76.4 | 0 | 0 | 0 | 0 | 112 | P759 T760 V765 L766 G767 Q789 E801 | P759-C763 PolarHBondContact O-N 3.35Å; P759-C763 VanDerWaalsContact O-N 3.09Å; P759-C763 PolarHBondContact O-SG 2.87Å; T760-C763 WeakPolarHBondContact O-CB 3.16Å; T760-C763 PolarHBondContact O-N 2.7Å; C763-V765 PolarHBondContact O-N 2.96Å; C763-L766 PolarHBondContact O-N 2.88Å; C763-G767 PolarHBondContact O-N 2.9Å; C763-Q789 HydrophobicContact CB-CG 4.33Å; C763-E801 HydrophobicContact CB-CB 4.33Å; C763-E801 HydrophobicContact CB-CG 4.3Å |
| 764 | E | 85.8 | Confident | 86.6 | Confident | 65 Ų | 65 | 43.5 Ų | 43.5 | 30% | 0.304 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.3 | -44 | -178.7 | -166.9 | -167.8 | 153.5 | 0 | 0 | 111.8 | T760 I762 G767 K768 | T760-E764 PolarHBondContact O-N 2.85Å; I762-E764 PolarHBondContact O-N 2.91Å; E764-G767 PolarHBondContact O-N 3.45Å; E764-K768 WeakPolarHBondContact O-CG 3.36Å; E764-K768 PolarHBondContact O-N 2.65Å; E764-K768 WeakPolarHBondContact OE1-CE 3.46Å; E764-K768 IonicContact OE1-NZ 2.98Å; E764-K768 PolarHBondContact OE1-NZ 3.42Å |
| 765 | V | 89.3 | Confident | 86.3 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.6 | -40.8 | 178.6 | 175.8 | 0 | 0 | 0 | 0 | 111.6 | A749 K750 A753 A761 I762 C763 G767 K768 M769 | A749-V765 HydrophobicContact CB-CG1 4.17Å; A749-V765 HydrophobicContact CB-CG2 3.82Å; K750-V765 HydrophobicContact CB-CG1 3.79Å; A753-V765 HydrophobicContact CB-CG2 4.39Å; A761-V765 VanDerWaalsContact O-CG2 3.31Å; A761-V765 WeakPolarHBondContact O-CG2 3.13Å; A761-V765 PolarHBondContact O-N 3.31Å; I762-V765 PolarHBondContact O-N 2.8Å; C763-V765 PolarHBondContact O-N 2.96Å; V765-G767 VanDerWaalsContact C-N 3.32Å; V765-G767 PolarHBondContact O-N 3.29Å; V765-K768 PolarHBondContact O-N 3.24Å; V765-M769 HydrophobicContact CG1-CG 4.45Å; V765-M769 HydrophobicContact CG1-SD 4.35Å; V765-M769 WeakPolarHBondContact O-CG 3.33Å; V765-M769 PolarHBondContact O-N 2.9Å |
| 766 | L | 90.1 | Very high | 86.1 | Confident | 16 Ų | 16 | 40.3 Ų | 40.3 | 8% | 0.084 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.3 | -40.9 | 176 | -73 | 172.4 | 0 | 0 | 0 | 111.8 | I762 C763 M769 G770 Q789 | I762-L766 HydrophobicContact CG2-CD1 4.13Å; I762-L766 WeakPolarHBondContact O-CG 3.31Å; I762-L766 PolarHBondContact O-N 3.5Å; C763-L766 PolarHBondContact O-N 2.88Å; L766-M769 WeakPolarHBondContact O-CB 3.4Å; L766-M769 PolarHBondContact O-N 3.05Å; L766-G770 PolarHBondContact O-N 3.24Å; L766-Q789 HydrophobicContact CB-CB 4Å; L766-Q789 HydrophobicContact CB-CG 4.36Å |
| 767 | G | 88.9 | Confident | 85.9 | Confident | 8 Ų | 8 | 41.7 Ų | 41.7 | 8% | 0.082 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62 | -48.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | C763 E764 V765 M769 G770 D771 F786 | C763-G767 PolarHBondContact O-N 2.9Å; E764-G767 PolarHBondContact O-N 3.45Å; V765-G767 VanDerWaalsContact C-N 3.32Å; V765-G767 PolarHBondContact O-N 3.29Å; G767-M769 VanDerWaalsContact C-N 3.29Å; G767-M769 PolarHBondContact O-N 3.43Å; G767-G770 CarbonylContact O-C 3.53Å; G767-G770 WeakPolarHBondContact O-CA 3.41Å; G767-G770 PolarHBondContact O-N 3.02Å; G767-D771 PolarHBondContact O-N 3.07Å; G767-F786 WeakPolarHBondContact O-CE1 3.23Å |
| 768 | K | 87.5 | Confident | 86.1 | Confident | 37 Ų | 37 | 36.4 Ų | 36.4 | 16% | 0.161 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.2 | -33.9 | 176.5 | -72.8 | 176.8 | 174.5 | 169.6 | 0 | 113 | L746 E764 V765 C772 | L746-K768 HydrophobicContact CD2-CB 3.65Å; E764-K768 WeakPolarHBondContact O-CG 3.36Å; E764-K768 PolarHBondContact O-N 2.65Å; E764-K768 WeakPolarHBondContact OE1-CE 3.46Å; E764-K768 IonicContact OE1-NZ 2.98Å; E764-K768 PolarHBondContact OE1-NZ 3.42Å; V765-K768 PolarHBondContact O-N 3.24Å; K768-C772 WeakPolarHBondContact O-CB 3.42Å; K768-C772 PolarHBondContact O-N 3.44Å |
| 769 | M | 90.1 | Very high | 86.3 | Confident | 15 Ų | 15 | 36.5 Ų | 36.5 | 7% | 0.074 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.4 | -45.5 | 170.1 | -72.3 | -178.9 | 71.2 | 0 | 0 | 111.4 | M743 L746 L747 K750 V765 L766 G767 D771 C772 H773 | M743-M769 HydrophobicContact SD-CE 4.15Å; L746-M769 HydrophobicContact CB-CG 3.87Å; L746-M769 HydrophobicContact CD1-CG 4.07Å; L746-M769 HydrophobicContact CG-CG 4.41Å; L747-M769 HydrophobicContact CD2-CE 4.23Å; K750-M769 HydrophobicContact CD-SD 4.33Å; V765-M769 HydrophobicContact CG1-CG 4.45Å; V765-M769 HydrophobicContact CG1-SD 4.35Å; V765-M769 WeakPolarHBondContact O-CG 3.33Å; V765-M769 PolarHBondContact O-N 2.9Å; L766-M769 WeakPolarHBondContact O-CB 3.4Å; L766-M769 PolarHBondContact O-N 3.05Å; G767-M769 VanDerWaalsContact C-N 3.29Å; G767-M769 PolarHBondContact O-N 3.43Å; M769-D771 VanDerWaalsContact C-N 3.35Å; M769-D771 PolarHBondContact O-N 3.37Å; M769-C772 WeakPolarHBondContact O-CB 3.38Å; M769-C772 PolarHBondContact O-N 2.89Å; M769-H773 PolarHBondContact O-CD2 3.2Å; M769-H773 PolarHBondContact O-N 3.46Å |
| 770 | G | 89.3 | Confident | 86.4 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -54.2 | -48.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L766 G767 C772 H773 R774 A782 F786 | L766-G770 PolarHBondContact O-N 3.24Å; G767-G770 CarbonylContact O-C 3.53Å; G767-G770 WeakPolarHBondContact O-CA 3.41Å; G767-G770 PolarHBondContact O-N 3.02Å; G770-C772 PolarHBondContact O-N 3.46Å; G770-H773 PolarHBondContact O-N 2.89Å; G770-R774 PolarHBondContact O-N 3.33Å; G770-A782 WeakPolarHBondContact O-CB 3.25Å; G770-F786 VanDerWaalsContact C-CZ 3.42Å |
| 771 | D | 86.4 | Confident | 86.6 | Confident | 49 Ų | 49 | 40.6 Ų | 40.6 | 26% | 0.262 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.9 | -38.9 | 177.3 | -78.6 | -40.1 | 0 | 0 | 0 | 113.5 | G767 M769 H773 R774 R775 | G767-D771 PolarHBondContact O-N 3.07Å; M769-D771 VanDerWaalsContact C-N 3.35Å; M769-D771 PolarHBondContact O-N 3.37Å; D771-H773 VanDerWaalsContact C-N 3.34Å; D771-R774 PolarHBondContact O-N 2.84Å; D771-R774 IonicContact OD1-CZ 3.33Å; D771-R774 IonicContact OD1-NE 3.41Å; D771-R774 PolarHBondContact OD1-NE 2.95Å; D771-R774 IonicContact OD1-NH2 2.83Å; D771-R774 PolarHBondContact OD1-NH2 3.13Å; D771-R775 PolarHBondContact O-N 2.78Å |
| 772 | C | 87.7 | Confident | 86.9 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.9 | -44.3 | 174.5 | -175.8 | 0 | 0 | 0 | 0 | 111.1 | L734 M743 L746 K768 M769 G770 R775 Q776 | L734-C772 HydrophobicContact CD1-CB 4.26Å; L734-C772 HydrophobicContact CD2-CB 4.1Å; M743-C772 HydrophobicContact CE-CB 3.97Å; L746-C772 HydrophobicContact CD1-CB 3.85Å; K768-C772 WeakPolarHBondContact O-CB 3.42Å; K768-C772 PolarHBondContact O-N 3.44Å; M769-C772 WeakPolarHBondContact O-CB 3.38Å; M769-C772 PolarHBondContact O-N 2.89Å; G770-C772 PolarHBondContact O-N 3.46Å; C772-R775 PolarHBondContact O-N 3.41Å; C772-Q776 WeakPolarHBondContact O-CG 3.26Å; C772-Q776 PolarHBondContact O-N 3.11Å; C772-Q776 VanDerWaalsContact O-N 3.1Å |
| 773 | H | 88.7 | Confident | 87 | Confident | 22 Ų | 22 | 40.2 Ų | 40.2 | 10% | 0.102 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.4 | -38.2 | 176.6 | -77.3 | -70.5 | 0 | 0 | 0 | 112.5 | M743 M769 G770 D771 Q776 G777 M778 Q781 A782 N785 | M743-H773 VanDerWaalsContact CE-NE2 3.33Å; M743-H773 WeakPolarHBondContact CE-NE2 3.45Å; M769-H773 PolarHBondContact O-CD2 3.2Å; M769-H773 PolarHBondContact O-N 3.46Å; G770-H773 PolarHBondContact O-N 2.89Å; D771-H773 VanDerWaalsContact C-N 3.34Å; H773-Q776 PolarHBondContact O-N 2.75Å; H773-G777 PolarHBondContact O-N 3.14Å; H773-M778 PolarHBondContact O-N 3.08Å; H773-Q781 HydrophobicContact CB-CB 4.31Å; H773-Q781 PolarHBondContact CE1-OE1 2.94Å; H773-Q781 PolarHBondContact ND1-OE1 3.22Å; H773-A782 HydrophobicContact CB-CB 3.88Å; H773-N785 PolarHBondContact CD2-ND2 2.74Å |
| 774 | R | 87.1 | Confident | 87.1 | Confident | 67 Ų | 67 | 43.1 Ų | 43.1 | 25% | 0.253 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57.3 | -49.7 | 173.4 | 179.4 | 171.6 | 67.7 | 157.9 | -19.8 | 110.8 | G770 D771 Q776 G777 A782 T812 E815 | G770-R774 PolarHBondContact O-N 3.33Å; D771-R774 PolarHBondContact O-N 2.84Å; D771-R774 IonicContact OD1-CZ 3.33Å; D771-R774 IonicContact OD1-NE 3.41Å; D771-R774 PolarHBondContact OD1-NE 2.95Å; D771-R774 IonicContact OD1-NH2 2.83Å; D771-R774 PolarHBondContact OD1-NH2 3.13Å; R774-Q776 VanDerWaalsContact C-N 3.28Å; R774-Q776 PolarHBondContact O-N 2.6Å; R774-G777 PolarHBondContact O-N 2.63Å; R774-A782 HydrophobicContact CB-CB 4.07Å; R774-T812 HydrophobicContact CB-CG2 4.09Å; R774-T812 HydrophobicContact CG-CG2 3.86Å; R774-E815 WeakPolarHBondContact CD-OE2 3.21Å; R774-E815 WeakPolarHBondContact CG-OE2 3.41Å; R774-E815 IonicContact CZ-OE1 3.82Å; R774-E815 IonicContact NH1-OE1 3.08Å; R774-E815 PolarHBondContact NH1-OE1 3.16Å |
| 775 | R | 82.1 | Confident | 87.3 | Confident | 138 Ų | 138 | 40.8 Ų | 40.8 | 52% | 0.521 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -66.6 | -24.6 | 177.4 | -70.7 | -170.3 | -176.5 | -174.9 | 5.7 | 114.3 | M739 D771 C772 G777 | M739-R775 HydrophobicContact CE-CB 4.48Å; M739-R775 VanDerWaalsContact CE-O 3.25Å; M739-R775 WeakPolarHBondContact CE-O 3.29Å; D771-R775 PolarHBondContact O-N 2.78Å; C772-R775 PolarHBondContact O-N 3.41Å; R775-G777 PolarHBondContact O-N 3.03Å |
| 776 | Q | 83.9 | Confident | 87.5 | Confident | 56 Ų | 56 | 40.8 Ų | 40.8 | 26% | 0.262 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -7.1 | 172.9 | -77.7 | 171.5 | -26.6 | 0 | 0 | 113.2 | M739 C772 H773 R774 M778 | M739-Q776 HydrophobicContact CB-CG 3.96Å; M739-Q776 HydrophobicContact CG-CG 4.12Å; M739-Q776 HydrophobicContact SD-CB 4.24Å; M739-Q776 HydrophobicContact SD-CG 3.39Å; M739-Q776 WeakPolarHBondContact SD-CG 3.11Å; C772-Q776 WeakPolarHBondContact O-CG 3.26Å; C772-Q776 PolarHBondContact O-N 3.11Å; C772-Q776 VanDerWaalsContact O-N 3.1Å; H773-Q776 PolarHBondContact O-N 2.75Å; R774-Q776 VanDerWaalsContact C-N 3.28Å; R774-Q776 PolarHBondContact O-N 2.6Å; Q776-M778 HydrophobicContact CB-CE 3.87Å; Q776-M778 HydrophobicContact CB-CG 4.45Å; Q776-M778 HydrophobicContact CG-CE 4.27Å; Q776-M778 PolarHBondContact O-N 3.43Å |
| 777 | G | 80.7 | Confident | 87.5 | Confident | 56 Ų | 56 | 43.2 Ų | 43.2 | 58% | 0.577 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | 6.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | H773 R774 R775 V779 | H773-G777 PolarHBondContact O-N 3.14Å; R774-G777 PolarHBondContact O-N 2.63Å; R775-G777 PolarHBondContact O-N 3.03Å; G777-V779 VanDerWaalsContact C-N 3.27Å; G777-V779 PolarHBondContact O-N 2.84Å |
| 778 | M | 85.4 | Confident | 87.6 | Confident | 72 Ų | 72 | 48 Ų | 48 | 36% | 0.355 | 25% | 0.25 | S | C | . | . | trans | -86.1 | 67.3 | 177.1 | -69.3 | -168.7 | -75.3 | 0 | 0 | 110.5 | H773 Q776 S780 Q781 A782 | H773-M778 PolarHBondContact O-N 3.08Å; Q776-M778 HydrophobicContact CB-CE 3.87Å; Q776-M778 HydrophobicContact CB-CG 4.45Å; Q776-M778 HydrophobicContact CG-CE 4.27Å; Q776-M778 PolarHBondContact O-N 3.43Å; M778-S780 VanDerWaalsContact C-N 3.33Å; M778-S780 PolarHBondContact O-N 3.28Å; M778-Q781 HydrophobicContact CB-CB 4.32Å; M778-Q781 PolarHBondContact O-N 2.91Å; M778-Q781 PolarHBondContact SD-OE1 3.17Å; M778-Q781 VanDerWaalsContact SD-OE1 3.34Å; M778-A782 PolarHBondContact O-N 3.44Å | ||
| 779 | V | 83.8 | Confident | 87.8 | Confident | 47 Ų | 47 | 46.9 Ų | 46.9 | 29% | 0.285 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -53 | -46.8 | -174.7 | -179.8 | 0 | 0 | 0 | 0 | 112.2 | G777 Q781 A782 V783 A816 | G777-V779 VanDerWaalsContact C-N 3.27Å; G777-V779 PolarHBondContact O-N 2.84Å; V779-Q781 VanDerWaalsContact C-N 3.35Å; V779-Q781 PolarHBondContact O-N 3.23Å; V779-A782 WeakPolarHBondContact O-CB 3.23Å; V779-A782 PolarHBondContact O-N 2.95Å; V779-A782 VanDerWaalsContact O-N 3.14Å; V779-V783 HydrophobicContact CG1-CG2 4.34Å; V779-V783 WeakPolarHBondContact O-CG2 3.42Å; V779-V783 PolarHBondContact O-N 3.01Å; V779-A816 HydrophobicContact CB-CB 4.23Å; V779-A816 HydrophobicContact CG1-CB 3.44Å; V779-A816 VanDerWaalsContact CG1-CB 3.44Å; V779-A816 HydrophobicContact CG2-CB 3.97Å |
| 780 | S | 85.1 | Confident | 87.8 | Confident | 90 Ų | 90 | 46.5 Ų | 46.5 | 63% | 0.629 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -61.1 | -41.6 | -177.5 | 55.5 | 0 | 0 | 0 | 0 | 112.6 | M778 V784 | M778-S780 VanDerWaalsContact C-N 3.33Å; M778-S780 PolarHBondContact O-N 3.28Å; S780-V784 VanDerWaalsContact O-CG2 3.25Å; S780-V784 WeakPolarHBondContact O-CG2 3.45Å; S780-V784 PolarHBondContact O-N 3.42Å; S780-V784 VanDerWaalsContact O-N 3.15Å |
| 781 | Q | 87.3 | Confident | 87.8 | Confident | 88 Ų | 88 | 52.2 Ų | 52.2 | 41% | 0.411 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -71.4 | -34.1 | 176.6 | -66.5 | -177.3 | -6.1 | 0 | 0 | 112 | H773 M778 V779 V784 N785 | H773-Q781 HydrophobicContact CB-CB 4.31Å; H773-Q781 PolarHBondContact CE1-OE1 2.94Å; H773-Q781 PolarHBondContact ND1-OE1 3.22Å; M778-Q781 HydrophobicContact CB-CB 4.32Å; M778-Q781 PolarHBondContact O-N 2.91Å; M778-Q781 PolarHBondContact SD-OE1 3.17Å; M778-Q781 VanDerWaalsContact SD-OE1 3.34Å; V779-Q781 VanDerWaalsContact C-N 3.35Å; V779-Q781 PolarHBondContact O-N 3.23Å; Q781-V784 PolarHBondContact O-N 3.42Å; Q781-N785 PolarHBondContact O-N 3.09Å; Q781-N785 VanDerWaalsContact O-N 3.1Å; Q781-N785 PolarHBondContact O-ND2 3.45Å; Q781-N785 VanDerWaalsContact O-ND2 3.1Å |
| 782 | A | 89.9 | Confident | 88 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.4 | -52.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | G770 H773 R774 M778 V779 V784 N785 F786 T812 | G770-A782 WeakPolarHBondContact O-CB 3.25Å; H773-A782 HydrophobicContact CB-CB 3.88Å; R774-A782 HydrophobicContact CB-CB 4.07Å; M778-A782 PolarHBondContact O-N 3.44Å; V779-A782 WeakPolarHBondContact O-CB 3.23Å; V779-A782 PolarHBondContact O-N 2.95Å; V779-A782 VanDerWaalsContact O-N 3.14Å; A782-V784 VanDerWaalsContact C-N 3.32Å; A782-V784 PolarHBondContact O-N 3.01Å; A782-N785 PolarHBondContact O-N 3.48Å; A782-N785 VanDerWaalsContact O-N 3.11Å; A782-F786 HydrophobicContact CB-CE2 4.32Å; A782-F786 WeakPolarHBondContact O-CD2 3.49Å; A782-F786 PolarHBondContact O-N 2.79Å; A782-T812 HydrophobicContact CB-CG2 4.1Å |
| 783 | V | 89.3 | Confident | 88 | Confident | 17 Ų | 17 | 52.3 Ų | 52.3 | 10% | 0.103 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58 | -43.3 | 177.9 | 174.7 | 0 | 0 | 0 | 0 | 111.2 | V779 N785 F786 Q787 T812 Y825 | V779-V783 HydrophobicContact CG1-CG2 4.34Å; V779-V783 WeakPolarHBondContact O-CG2 3.42Å; V779-V783 PolarHBondContact O-N 3.01Å; V783-N785 VanDerWaalsContact C-N 3.33Å; V783-N785 PolarHBondContact O-N 3.45Å; V783-F786 PolarHBondContact O-N 3.24Å; V783-Q787 HydrophobicContact CG1-CG 4.42Å; V783-Q787 WeakPolarHBondContact O-CG 3.34Å; V783-Q787 PolarHBondContact O-N 3.35Å; V783-T812 WeakPolarHBondContact CG2-OG1 3.41Å; V783-Y825 HydrophobicContact CG1-CE2 4.32Å |
| 784 | V | 90.3 | Very high | 87.8 | Confident | 62 Ų | 62 | 52.8 Ų | 52.8 | 38% | 0.376 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62 | -37.6 | 177.5 | 168.5 | 0 | 0 | 0 | 0 | 112.4 | S780 Q781 A782 K788 | S780-V784 VanDerWaalsContact O-CG2 3.25Å; S780-V784 WeakPolarHBondContact O-CG2 3.45Å; S780-V784 PolarHBondContact O-N 3.42Å; S780-V784 VanDerWaalsContact O-N 3.15Å; Q781-V784 PolarHBondContact O-N 3.42Å; A782-V784 VanDerWaalsContact C-N 3.32Å; A782-V784 PolarHBondContact O-N 3.01Å; V784-K788 HydrophobicContact CG1-CD 4.33Å; V784-K788 VanDerWaalsContact O-CG 3.31Å; V784-K788 WeakPolarHBondContact O-CG 3.34Å; V784-K788 PolarHBondContact O-N 3.24Å |
| 785 | N | 90.9 | Very high | 87.8 | Confident | 15 Ų | 15 | 57.1 Ų | 57.1 | 8% | 0.08 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -71.4 | -39.3 | 177.5 | -73.4 | -39.4 | 0 | 0 | 0 | 112.1 | H773 Q781 A782 V783 K788 Q789 | H773-N785 PolarHBondContact CD2-ND2 2.74Å; Q781-N785 PolarHBondContact O-N 3.09Å; Q781-N785 VanDerWaalsContact O-N 3.1Å; Q781-N785 PolarHBondContact O-ND2 3.45Å; Q781-N785 VanDerWaalsContact O-ND2 3.1Å; A782-N785 PolarHBondContact O-N 3.48Å; A782-N785 VanDerWaalsContact O-N 3.11Å; V783-N785 VanDerWaalsContact C-N 3.33Å; V783-N785 PolarHBondContact O-N 3.45Å; N785-K788 PolarHBondContact O-N 3.49Å; N785-Q789 PolarHBondContact O-N 3.45Å |
| 786 | F | 92.2 | Very high | 87.9 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.009 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.1 | -37.6 | 174.2 | -66.4 | -52.5 | 0 | 0 | 0 | 112.4 | G767 G770 A782 V783 Q789 A790 A809 T812 | G767-F786 WeakPolarHBondContact O-CE1 3.23Å; G770-F786 VanDerWaalsContact C-CZ 3.42Å; A782-F786 HydrophobicContact CB-CE2 4.32Å; A782-F786 WeakPolarHBondContact O-CD2 3.49Å; A782-F786 PolarHBondContact O-N 2.79Å; V783-F786 PolarHBondContact O-N 3.24Å; F786-Q789 WeakPolarHBondContact O-CB 3.4Å; F786-Q789 PolarHBondContact O-N 2.92Å; F786-A790 PolarHBondContact O-N 3.21Å; F786-A809 HydrophobicContact CB-CB 3.92Å; F786-T812 HydrophobicContact CD2-CG2 4.08Å; F786-T812 HydrophobicContact CE2-CG2 3.62Å |
| 787 | Q | 90.5 | Very high | 87.6 | Confident | 67 Ų | 67 | 59.6 Ų | 59.6 | 31% | 0.313 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61 | -46.6 | 171.2 | -75.2 | 176.7 | -20.6 | 0 | 0 | 112 | V783 Q789 A790 E791 Y825 | V783-Q787 HydrophobicContact CG1-CG 4.42Å; V783-Q787 WeakPolarHBondContact O-CG 3.34Å; V783-Q787 PolarHBondContact O-N 3.35Å; Q787-Q789 VanDerWaalsContact C-N 3.27Å; Q787-Q789 PolarHBondContact O-N 3.37Å; Q787-A790 PolarHBondContact O-N 3.1Å; Q787-A790 VanDerWaalsContact O-N 3.14Å; Q787-E791 WeakPolarHBondContact O-CG 3.44Å; Q787-E791 PolarHBondContact O-N 3.19Å; Q787-Y825 HydrophobicContact CG-CE1 4.43Å; Q787-Y825 PolarHBondContact NE2-OH 3.07Å |
| 788 | K | 90.9 | Very high | 87.5 | Confident | 108 Ų | 108 | 58.2 Ų | 58.2 | 47% | 0.47 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.5 | -38.9 | 175.5 | -74.6 | 172 | -176.4 | 172.4 | 0 | 112.1 | V784 N785 F792 | V784-K788 HydrophobicContact CG1-CD 4.33Å; V784-K788 VanDerWaalsContact O-CG 3.31Å; V784-K788 WeakPolarHBondContact O-CG 3.34Å; V784-K788 PolarHBondContact O-N 3.24Å; N785-K788 PolarHBondContact O-N 3.49Å; K788-F792 VanDerWaalsContact O-CB 3.25Å; K788-F792 WeakPolarHBondContact O-CB 3.42Å; K788-F792 PolarHBondContact O-N 2.71Å |
| 789 | Q | 92.4 | Very high | 87.3 | Confident | 14 Ų | 14 | 57.6 Ų | 57.6 | 7% | 0.065 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62 | -48 | 174 | -175 | -172.7 | -7.2 | 0 | 0 | 110.9 | C763 L766 N785 F786 Q787 E791 F792 A793 A805 | C763-Q789 HydrophobicContact CB-CG 4.33Å; L766-Q789 HydrophobicContact CB-CB 4Å; L766-Q789 HydrophobicContact CB-CG 4.36Å; N785-Q789 PolarHBondContact O-N 3.45Å; F786-Q789 WeakPolarHBondContact O-CB 3.4Å; F786-Q789 PolarHBondContact O-N 2.92Å; Q787-Q789 VanDerWaalsContact C-N 3.27Å; Q787-Q789 PolarHBondContact O-N 3.37Å; Q789-E791 PolarHBondContact O-N 3.02Å; Q789-F792 PolarHBondContact O-N 3.27Å; Q789-A793 VanDerWaalsContact O-CB 3.26Å; Q789-A793 WeakPolarHBondContact O-CB 3.4Å; Q789-A793 PolarHBondContact O-N 3.07Å; Q789-A805 HydrophobicContact CB-CB 3.95Å; Q789-A805 HydrophobicContact CG-CB 3.78Å |
| 790 | A | 89.7 | Confident | 87 | Confident | 6 Ų | 6 | 58.3 Ų | 58.3 | 5% | 0.05 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | F786 Q787 G794 K802 A805 L806 | F786-A790 PolarHBondContact O-N 3.21Å; Q787-A790 PolarHBondContact O-N 3.1Å; Q787-A790 VanDerWaalsContact O-N 3.14Å; A790-G794 PolarHBondContact O-N 3.24Å; A790-K802 HydrophobicContact CB-CG 4.32Å; A790-A805 HydrophobicContact CB-CB 3.81Å; A790-L806 HydrophobicContact CB-CD2 4.28Å; A790-L806 HydrophobicContact CB-CG 4.28Å |
| 791 | E | 89.9 | Confident | 86.9 | Confident | 121 Ų | 121 | 56.2 Ų | 56.2 | 57% | 0.565 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -65.8 | -42.8 | 175.8 | -73.6 | -179.5 | -172.5 | 0 | 0 | 112.2 | Q787 Q789 G794 K795 | Q787-E791 WeakPolarHBondContact O-CG 3.44Å; Q787-E791 PolarHBondContact O-N 3.19Å; Q789-E791 PolarHBondContact O-N 3.02Å; E791-G794 PolarHBondContact O-N 2.93Å; E791-K795 WeakPolarHBondContact O-CG 3.39Å; E791-K795 PolarHBondContact O-N 3.15Å; E791-K795 VanDerWaalsContact O-N 3.11Å |
| 792 | F | 90.4 | Very high | 86.9 | Confident | 50 Ų | 50 | 54.5 Ų | 54.5 | 22% | 0.219 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.9 | -46.2 | 178.7 | -172.7 | -90.7 | 0 | 0 | 0 | 111.1 | P759 I762 K788 Q789 G794 K795 H796 | P759-F792 HydrophobicContact CB-CE1 3.91Å; P759-F792 HydrophobicContact CB-CZ 4.4Å; I762-F792 HydrophobicContact CB-CE1 3.82Å; I762-F792 HydrophobicContact CB-CZ 4.01Å; I762-F792 HydrophobicContact CD1-CE1 4.3Å; I762-F792 HydrophobicContact CD1-CE2 4.48Å; I762-F792 HydrophobicContact CD1-CZ 3.7Å; I762-F792 HydrophobicContact CG1-CZ 4.47Å; I762-F792 HydrophobicContact CG2-CD1 4.13Å; I762-F792 HydrophobicContact CG2-CE1 3.76Å; I762-F792 HydrophobicContact CG2-CE2 4.17Å; I762-F792 HydrophobicContact CG2-CG 4.48Å; I762-F792 HydrophobicContact CG2-CZ 3.79Å; K788-F792 VanDerWaalsContact O-CB 3.25Å; K788-F792 WeakPolarHBondContact O-CB 3.42Å; K788-F792 PolarHBondContact O-N 2.71Å; Q789-F792 PolarHBondContact O-N 3.27Å; F792-G794 VanDerWaalsContact C-N 3.28Å; F792-G794 PolarHBondContact O-N 3.22Å; F792-K795 PolarHBondContact O-N 2.91Å; F792-K795 VanDerWaalsContact O-N 3.12Å; F792-H796 AromaticContact CD1-CD2 3.9Å; F792-H796 AromaticContact CE1-CD2 3.5Å; F792-H796 VanDerWaalsContact CE1-CD2 3.5Å; F792-H796 WeakPolarHBondContact CE1-CD2 3.49Å; F792-H796 AromaticContact CE1-NE2 3.94Å; F792-H796 AromaticContact CE2-CD2 3.76Å; F792-H796 AromaticContact CE2-NE2 3.53Å; F792-H796 AromaticContact CZ-CD2 3.42Å; F792-H796 VanDerWaalsContact CZ-CD2 3.42Å; F792-H796 WeakPolarHBondContact CZ-CD2 3.43Å; F792-H796 AromaticContact CZ-NE2 3.34Å; F792-H796 VanDerWaalsContact CZ-NE2 3.34Å; F792-H796 WeakPolarHBondContact CZ-NE2 3.48Å; F792-H796 PolarHBondContact O-CD2 2.99Å; F792-H796 PolarHBondContact O-N 3.34Å |
| 793 | A | 87.1 | Confident | 86.7 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.8 | -42 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q789 K795 H796 N797 L798 E801 K802 | Q789-A793 VanDerWaalsContact O-CB 3.26Å; Q789-A793 WeakPolarHBondContact O-CB 3.4Å; Q789-A793 PolarHBondContact O-N 3.07Å; A793-K795 PolarHBondContact O-N 3.46Å; A793-H796 PolarHBondContact O-N 2.76Å; A793-N797 PolarHBondContact O-N 3.29Å; A793-L798 HydrophobicContact CB-CB 4Å; A793-L798 PolarHBondContact O-N 3.37Å; A793-E801 HydrophobicContact CB-CB 4Å; A793-K802 HydrophobicContact CB-CB 3.81Å |
| 794 | G | 84.3 | Confident | 86.5 | Confident | 32 Ų | 32 | 58.6 Ų | 58.6 | 33% | 0.33 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.4 | -37.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | A790 E791 F792 H796 | A790-G794 PolarHBondContact O-N 3.24Å; E791-G794 PolarHBondContact O-N 2.93Å; F792-G794 VanDerWaalsContact C-N 3.28Å; F792-G794 PolarHBondContact O-N 3.22Å; G794-H796 VanDerWaalsContact C-N 3.32Å; G794-H796 PolarHBondContact O-N 3.34Å |
| 795 | K | 87 | Confident | 86.5 | Confident | 159 Ų | 159 | 55.7 Ų | 55.7 | 69% | 0.691 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -70.4 | -27.3 | 177.2 | -73.2 | 172.3 | -176.5 | 170.4 | 0 | 113.2 | E791 F792 A793 | E791-K795 WeakPolarHBondContact O-CG 3.39Å; E791-K795 PolarHBondContact O-N 3.15Å; E791-K795 VanDerWaalsContact O-N 3.11Å; F792-K795 PolarHBondContact O-N 2.91Å; F792-K795 VanDerWaalsContact O-N 3.12Å; A793-K795 PolarHBondContact O-N 3.46Å |
| 796 | H | 84.7 | Confident | 86.5 | Confident | 95 Ų | 95 | 55.2 Ų | 55.2 | 44% | 0.44 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 12 | -177.4 | -73.1 | -78.1 | 0 | 0 | 0 | 113.9 | P759 F792 A793 G794 L798 | P759-H796 HydrophobicContact CB-CB 3.97Å; F792-H796 AromaticContact CD1-CD2 3.9Å; F792-H796 AromaticContact CE1-CD2 3.5Å; F792-H796 VanDerWaalsContact CE1-CD2 3.5Å; F792-H796 WeakPolarHBondContact CE1-CD2 3.49Å; F792-H796 AromaticContact CE1-NE2 3.94Å; F792-H796 AromaticContact CE2-CD2 3.76Å; F792-H796 AromaticContact CE2-NE2 3.53Å; F792-H796 AromaticContact CZ-CD2 3.42Å; F792-H796 VanDerWaalsContact CZ-CD2 3.42Å; F792-H796 WeakPolarHBondContact CZ-CD2 3.43Å; F792-H796 AromaticContact CZ-NE2 3.34Å; F792-H796 VanDerWaalsContact CZ-NE2 3.34Å; F792-H796 WeakPolarHBondContact CZ-NE2 3.48Å; F792-H796 PolarHBondContact O-CD2 2.99Å; F792-H796 PolarHBondContact O-N 3.34Å; A793-H796 PolarHBondContact O-N 2.76Å; G794-H796 VanDerWaalsContact C-N 3.32Å; G794-H796 PolarHBondContact O-N 3.34Å; H796-L798 HydrophobicContact CB-CD1 4.28Å; H796-L798 HydrophobicContact CB-CG 4.11Å; H796-L798 PolarHBondContact O-N 3.11Å |
| 797 | N | 78.3 | Confident | 86.4 | Confident | 151 Ų | 151 | 59.5 Ų | 59.5 | 81% | 0.807 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 30.2 | -177.1 | -63.9 | -35.6 | 0 | 0 | 0 | 114.1 | A793 F799 | A793-N797 PolarHBondContact O-N 3.29Å; N797-F799 PolarHBondContact O-N 2.99Å |
| 798 | L | 78.8 | Confident | 86.4 | Confident | 27 Ų | 27 | 57.6 Ų | 57.6 | 14% | 0.141 | 28% | 0.279 | C | S | . | . | trans | -86.3 | 86.1 | 175.8 | -67.9 | -178.5 | 0 | 0 | 0 | 109.4 | P759 T760 A793 H796 E801 K802 | P759-L798 HydrophobicContact CB-CD1 3.91Å; P759-L798 HydrophobicContact CG-CD1 4.34Å; T760-L798 HydrophobicContact CG2-CD1 4.27Å; T760-L798 HydrophobicContact CG2-CD2 4.02Å; A793-L798 HydrophobicContact CB-CB 4Å; A793-L798 PolarHBondContact O-N 3.37Å; H796-L798 HydrophobicContact CB-CD1 4.28Å; H796-L798 HydrophobicContact CB-CG 4.11Å; H796-L798 PolarHBondContact O-N 3.11Å; L798-E801 HydrophobicContact CB-CB 4.18Å; L798-E801 HydrophobicContact CB-CG 4.39Å; L798-E801 WeakPolarHBondContact CB-OE2 3.49Å; L798-K802 WeakPolarHBondContact O-CB 3.41Å; L798-K802 PolarHBondContact O-N 3.07Å | ||
| 799 | F | 80.2 | Confident | 86.4 | Confident | 59 Ų | 59 | 52.5 Ų | 52.5 | 26% | 0.259 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.9 | -47.3 | -172.1 | 173.2 | -99.3 | 0 | 0 | 0 | 112.9 | N797 K802 V803 I832 V833 L844 | N797-F799 PolarHBondContact O-N 2.99Å; F799-K802 PolarHBondContact O-N 3.48Å; F799-V803 HydrophobicContact CE1-CG2 4.3Å; F799-V803 HydrophobicContact CE2-CG2 4.23Å; F799-V803 HydrophobicContact CZ-CG2 4.09Å; F799-V803 WeakPolarHBondContact O-CG2 3.37Å; F799-V803 PolarHBondContact O-N 3.42Å; F799-V803 VanDerWaalsContact O-N 3.14Å; F799-I832 HydrophobicContact CD2-CG2 4Å; F799-I832 HydrophobicContact CE2-CG2 3.58Å; F799-V833 HydrophobicContact CZ-CG2 4.22Å; F799-L844 HydrophobicContact CE1-CD1 3.57Å; F799-L844 HydrophobicContact CZ-CD1 4.26Å |
| 800 | L | 77.7 | Confident | 86.3 | Confident | 61 Ų | 61 | 51.9 Ų | 51.9 | 32% | 0.319 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -68.3 | -45.1 | -174.1 | -169.8 | 68.8 | 0 | 0 | 0 | 111 | K802 V803 E804 L844 | L800-K802 VanDerWaalsContact C-N 3.26Å; L800-K802 PolarHBondContact O-N 3.31Å; L800-V803 PolarHBondContact O-N 3Å; L800-V803 VanDerWaalsContact O-N 3.08Å; L800-E804 WeakPolarHBondContact O-CG 3.44Å; L800-E804 PolarHBondContact O-N 3.03Å; L800-L844 HydrophobicContact CD1-CD1 4.24Å; L800-L844 HydrophobicContact CD1-CD2 4.25Å |
| 801 | E | 83.2 | Confident | 86.2 | Confident | 46 Ų | 46 | 54 Ų | 54 | 22% | 0.215 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.6 | -34.1 | 179.3 | -63.8 | 85.8 | 158.4 | 0 | 0 | 111.6 | C763 A793 L798 A805 | C763-E801 HydrophobicContact CB-CB 4.33Å; C763-E801 HydrophobicContact CB-CG 4.3Å; A793-E801 HydrophobicContact CB-CB 4Å; L798-E801 HydrophobicContact CB-CB 4.18Å; L798-E801 HydrophobicContact CB-CG 4.39Å; L798-E801 WeakPolarHBondContact CB-OE2 3.49Å; E801-A805 VanDerWaalsContact O-CB 3.23Å; E801-A805 WeakPolarHBondContact O-CB 3.48Å; E801-A805 PolarHBondContact O-N 3.07Å |
| 802 | K | 87 | Confident | 86.1 | Confident | 53 Ų | 53 | 48.3 Ų | 48.3 | 23% | 0.23 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.9 | -44.5 | 173.5 | -173.1 | 177 | -176.3 | -170 | 0 | 111.6 | A790 A793 L798 F799 L800 A805 L806 I832 | A790-K802 HydrophobicContact CB-CG 4.32Å; A793-K802 HydrophobicContact CB-CB 3.81Å; L798-K802 WeakPolarHBondContact O-CB 3.41Å; L798-K802 PolarHBondContact O-N 3.07Å; F799-K802 PolarHBondContact O-N 3.48Å; L800-K802 VanDerWaalsContact C-N 3.26Å; L800-K802 PolarHBondContact O-N 3.31Å; K802-A805 PolarHBondContact O-N 3.48Å; K802-L806 WeakPolarHBondContact O-CG 3.45Å; K802-L806 PolarHBondContact O-N 3.32Å; K802-L806 VanDerWaalsContact O-N 3.13Å; K802-I832 HydrophobicContact CD-CD1 4Å; K802-I832 HydrophobicContact CG-CD1 4.4Å |
| 803 | V | 86.2 | Confident | 86 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.6 | -41.7 | 179.6 | 170.4 | 0 | 0 | 0 | 0 | 110.8 | F799 L800 R807 R829 I832 V833 L844 | F799-V803 HydrophobicContact CE1-CG2 4.3Å; F799-V803 HydrophobicContact CE2-CG2 4.23Å; F799-V803 HydrophobicContact CZ-CG2 4.09Å; F799-V803 WeakPolarHBondContact O-CG2 3.37Å; F799-V803 PolarHBondContact O-N 3.42Å; F799-V803 VanDerWaalsContact O-N 3.14Å; L800-V803 PolarHBondContact O-N 3Å; L800-V803 VanDerWaalsContact O-N 3.08Å; V803-R807 PolarHBondContact O-N 2.93Å; V803-R829 HydrophobicContact CG1-CG 3.87Å; V803-R829 WeakPolarHBondContact O-CD 3.41Å; V803-R829 PolarHBondContact O-NE 3.22Å; V803-I832 HydrophobicContact CG2-CG2 4.12Å; V803-V833 HydrophobicContact CG1-CG2 4.23Å; V803-V833 HydrophobicContact CG2-CG2 3.98Å; V803-L844 HydrophobicContact CG1-CD2 4.34Å |
| 804 | E | 85.8 | Confident | 85.9 | Confident | 101 Ų | 101 | 47 Ų | 47 | 47% | 0.472 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -68 | -42.7 | 175.9 | -71.7 | -179.9 | 175.1 | 0 | 0 | 112.5 | L800 L806 R807 S808 | L800-E804 WeakPolarHBondContact O-CG 3.44Å; L800-E804 PolarHBondContact O-N 3.03Å; E804-L806 VanDerWaalsContact C-N 3.31Å; E804-L806 PolarHBondContact O-N 3.4Å; E804-R807 WeakPolarHBondContact O-CB 3.23Å; E804-R807 PolarHBondContact O-N 2.89Å; E804-R807 VanDerWaalsContact O-N 3.1Å; E804-S808 PolarHBondContact O-N 2.96Å; E804-S808 PolarHBondContact O-OG 3.25Å |
| 805 | A | 89.1 | Confident | 85.7 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.7 | -41 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q789 A790 E801 K802 R807 S808 A809 | Q789-A805 HydrophobicContact CB-CB 3.95Å; Q789-A805 HydrophobicContact CG-CB 3.78Å; A790-A805 HydrophobicContact CB-CB 3.81Å; E801-A805 VanDerWaalsContact O-CB 3.23Å; E801-A805 WeakPolarHBondContact O-CB 3.48Å; E801-A805 PolarHBondContact O-N 3.07Å; K802-A805 PolarHBondContact O-N 3.48Å; A805-R807 VanDerWaalsContact C-N 3.35Å; A805-S808 PolarHBondContact O-N 3.13Å; A805-A809 WeakPolarHBondContact O-CB 3.45Å; A805-A809 PolarHBondContact O-N 3.04Å |
| 806 | L | 91.1 | Very high | 85.6 | Confident | 6 Ų | 6 | 45.1 Ų | 45.1 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.3 | -35.7 | 175.1 | -71.9 | 172.5 | 0 | 0 | 0 | 112.4 | A790 K802 E804 A809 A810 Y825 E828 R829 I832 | A790-L806 HydrophobicContact CB-CD2 4.28Å; A790-L806 HydrophobicContact CB-CG 4.28Å; K802-L806 WeakPolarHBondContact O-CG 3.45Å; K802-L806 PolarHBondContact O-N 3.32Å; K802-L806 VanDerWaalsContact O-N 3.13Å; E804-L806 VanDerWaalsContact C-N 3.31Å; E804-L806 PolarHBondContact O-N 3.4Å; L806-A809 PolarHBondContact O-N 3.13Å; L806-A810 WeakPolarHBondContact O-CB 3.42Å; L806-A810 PolarHBondContact O-N 3.31Å; L806-Y825 HydrophobicContact CD2-CD1 4.16Å; L806-E828 HydrophobicContact CD1-CB 4.45Å; L806-E828 HydrophobicContact CD1-CG 4.06Å; L806-R829 HydrophobicContact CB-CB 4.04Å; L806-R829 HydrophobicContact CB-CG 4.34Å; L806-R829 HydrophobicContact CD1-CB 4.16Å; L806-I832 HydrophobicContact CD1-CD1 3.47Å; L806-I832 VanDerWaalsContact CD1-CD1 3.47Å |
| 807 | R | 90 | Very high | 85.4 | Confident | 92 Ų | 92 | 48.7 Ų | 48.7 | 35% | 0.347 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.8 | -50.6 | 172.7 | -178.3 | -177.7 | 177.3 | 157 | 11 | 111 | V803 E804 A805 A809 A810 E811 R829 D851 | V803-R807 PolarHBondContact O-N 2.93Å; E804-R807 WeakPolarHBondContact O-CB 3.23Å; E804-R807 PolarHBondContact O-N 2.89Å; E804-R807 VanDerWaalsContact O-N 3.1Å; A805-R807 VanDerWaalsContact C-N 3.35Å; R807-A809 VanDerWaalsContact C-N 3.29Å; R807-A809 PolarHBondContact O-N 3.02Å; R807-A810 WeakPolarHBondContact O-CB 3.46Å; R807-A810 PolarHBondContact O-N 3.42Å; R807-E811 HydrophobicContact CG-CG 4.4Å; R807-E811 WeakPolarHBondContact CG-OE1 3.41Å; R807-E811 IonicContact CZ-OE1 3.02Å; R807-E811 IonicContact NE-OE1 3.51Å; R807-E811 PolarHBondContact NE-OE1 3.34Å; R807-E811 IonicContact NH2-OE1 3.18Å; R807-E811 PolarHBondContact NH2-OE1 2.87Å; R807-E811 WeakPolarHBondContact O-CG 3.44Å; R807-E811 PolarHBondContact O-N 2.92Å; R807-R829 VanDerWaalsContact CG-NH1 3.35Å; R807-D851 IonicContact NE-OD2 3.9Å |
| 808 | S | 90.3 | Very high | 85.7 | Confident | 27 Ų | 27 | 45.7 Ų | 45.7 | 19% | 0.189 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.7 | -35.7 | 179.8 | -58.7 | 0 | 0 | 0 | 0 | 112.4 | E804 A805 T812 | E804-S808 PolarHBondContact O-N 2.96Å; E804-S808 PolarHBondContact O-OG 3.25Å; A805-S808 PolarHBondContact O-N 3.13Å; S808-T812 WeakPolarHBondContact O-CB 3.33Å; S808-T812 WeakPolarHBondContact O-CG2 3.38Å; S808-T812 PolarHBondContact O-N 3.49Å; S808-T812 PolarHBondContact O-OG1 3.24Å |
| 809 | A | 91 | Very high | 85.9 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.008 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.2 | -38.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F786 A805 L806 R807 T812 S813 Y825 | F786-A809 HydrophobicContact CB-CB 3.92Å; A805-A809 WeakPolarHBondContact O-CB 3.45Å; A805-A809 PolarHBondContact O-N 3.04Å; L806-A809 PolarHBondContact O-N 3.13Å; R807-A809 VanDerWaalsContact C-N 3.29Å; R807-A809 PolarHBondContact O-N 3.02Å; A809-T812 VanDerWaalsContact C-OG1 3.3Å; A809-T812 VanDerWaalsContact CA-OG1 3.3Å; A809-T812 WeakPolarHBondContact CA-OG1 3.45Å; A809-T812 PolarHBondContact O-OG1 2.99Å; A809-S813 WeakPolarHBondContact O-CB 3.23Å; A809-S813 PolarHBondContact O-N 3.47Å; A809-S813 VanDerWaalsContact O-N 3.16Å; A809-S813 PolarHBondContact O-OG 2.58Å; A809-Y825 HydrophobicContact CB-CD1 4.35Å; A809-Y825 HydrophobicContact CB-CD2 4.14Å; A809-Y825 HydrophobicContact CB-CE2 4.32Å; A809-Y825 HydrophobicContact CB-CG 4.18Å |
| 810 | A | 89.7 | Confident | 86.1 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.7 | -44.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L806 R807 S813 L814 A822 Y826 | L806-A810 WeakPolarHBondContact O-CB 3.42Å; L806-A810 PolarHBondContact O-N 3.31Å; R807-A810 WeakPolarHBondContact O-CB 3.46Å; R807-A810 PolarHBondContact O-N 3.42Å; A810-S813 PolarHBondContact O-N 3.46Å; A810-L814 WeakPolarHBondContact O-CB 3.39Å; A810-L814 PolarHBondContact O-N 3Å; A810-A822 WeakPolarHBondContact O-CB 3.33Å; A810-Y826 HydrophobicContact CB-CD1 3.6Å; A810-Y826 HydrophobicContact CB-CD2 3.89Å; A810-Y826 HydrophobicContact CB-CE1 3.33Å; A810-Y826 HydrophobicContact CB-CE2 3.67Å; A810-Y826 HydrophobicContact CB-CG 3.86Å |
| 811 | E | 87.9 | Confident | 86.5 | Confident | 51 Ų | 51 | 48.2 Ų | 48.2 | 24% | 0.238 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.4 | -45.5 | 177.5 | -73.2 | 177.8 | -174.2 | 0 | 0 | 111.6 | R807 S813 L814 E815 | R807-E811 HydrophobicContact CG-CG 4.4Å; R807-E811 WeakPolarHBondContact CG-OE1 3.41Å; R807-E811 IonicContact CZ-OE1 3.02Å; R807-E811 IonicContact NE-OE1 3.51Å; R807-E811 PolarHBondContact NE-OE1 3.34Å; R807-E811 IonicContact NH2-OE1 3.18Å; R807-E811 PolarHBondContact NH2-OE1 2.87Å; R807-E811 WeakPolarHBondContact O-CG 3.44Å; R807-E811 PolarHBondContact O-N 2.92Å; E811-S813 VanDerWaalsContact C-N 3.3Å; E811-S813 PolarHBondContact O-N 3.11Å; E811-L814 WeakPolarHBondContact O-CB 3.07Å; E811-L814 PolarHBondContact O-N 3.18Å; E811-E815 WeakPolarHBondContact O-CG 3.48Å; E811-E815 PolarHBondContact O-N 3.17Å |
| 812 | T | 88.1 | Confident | 86.7 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.012 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.7 | -40.5 | 173.2 | 37.2 | 0 | 0 | 0 | 0 | 112.9 | R774 A782 V783 F786 S808 A809 E815 A816 | R774-T812 HydrophobicContact CB-CG2 4.09Å; R774-T812 HydrophobicContact CG-CG2 3.86Å; A782-T812 HydrophobicContact CB-CG2 4.1Å; V783-T812 WeakPolarHBondContact CG2-OG1 3.41Å; F786-T812 HydrophobicContact CD2-CG2 4.08Å; F786-T812 HydrophobicContact CE2-CG2 3.62Å; S808-T812 WeakPolarHBondContact O-CB 3.33Å; S808-T812 WeakPolarHBondContact O-CG2 3.38Å; S808-T812 PolarHBondContact O-N 3.49Å; S808-T812 PolarHBondContact O-OG1 3.24Å; A809-T812 VanDerWaalsContact C-OG1 3.3Å; A809-T812 VanDerWaalsContact CA-OG1 3.3Å; A809-T812 WeakPolarHBondContact CA-OG1 3.45Å; A809-T812 PolarHBondContact O-OG1 2.99Å; T812-E815 PolarHBondContact O-N 3.44Å; T812-A816 PolarHBondContact O-N 3.1Å |
| 813 | S | 87.5 | Confident | 86.8 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.014 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68 | -37.5 | 177.9 | -57.5 | 0 | 0 | 0 | 0 | 111.2 | A809 A810 E811 A816 E817 L818 Y825 | A809-S813 WeakPolarHBondContact O-CB 3.23Å; A809-S813 PolarHBondContact O-N 3.47Å; A809-S813 VanDerWaalsContact O-N 3.16Å; A809-S813 PolarHBondContact O-OG 2.58Å; A810-S813 PolarHBondContact O-N 3.46Å; E811-S813 VanDerWaalsContact C-N 3.3Å; E811-S813 PolarHBondContact O-N 3.11Å; S813-A816 PolarHBondContact O-N 3.27Å; S813-E817 PolarHBondContact O-N 2.94Å; S813-L818 WeakPolarHBondContact O-CA 3.43Å; S813-L818 WeakPolarHBondContact O-CB 3.43Å; S813-L818 PolarHBondContact O-N 3.31Å; S813-Y825 WeakPolarHBondContact OG-CE2 3.46Å |
| 814 | L | 85 | Confident | 86.9 | Confident | 20 Ų | 20 | 49.9 Ų | 49.9 | 11% | 0.105 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.3 | -41.2 | 174.1 | -96.7 | 165.4 | 0 | 0 | 0 | 113.3 | A810 E811 A816 E817 A822 Y826 K858 | A810-L814 WeakPolarHBondContact O-CB 3.39Å; A810-L814 PolarHBondContact O-N 3Å; E811-L814 WeakPolarHBondContact O-CB 3.07Å; E811-L814 PolarHBondContact O-N 3.18Å; L814-A816 PolarHBondContact O-N 2.88Å; L814-E817 PolarHBondContact O-N 2.72Å; L814-A822 HydrophobicContact CB-CB 4.38Å; L814-A822 HydrophobicContact CD1-CB 4.21Å; L814-A822 HydrophobicContact CD2-CB 4.49Å; L814-A822 HydrophobicContact CG-CB 3.62Å; L814-Y826 HydrophobicContact CD1-CE2 3.55Å; L814-K858 HydrophobicContact CD2-CD 3.58Å |
| 815 | E | 81.9 | Confident | 87.1 | Confident | 118 Ų | 118 | 45.6 Ų | 45.6 | 55% | 0.551 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -61.6 | -29.6 | 174.7 | -75 | 173.2 | -160.9 | 0 | 0 | 111.8 | R774 E811 T812 E817 | R774-E815 WeakPolarHBondContact CD-OE2 3.21Å; R774-E815 WeakPolarHBondContact CG-OE2 3.41Å; R774-E815 IonicContact CZ-OE1 3.82Å; R774-E815 IonicContact NH1-OE1 3.08Å; R774-E815 PolarHBondContact NH1-OE1 3.16Å; E811-E815 WeakPolarHBondContact O-CG 3.48Å; E811-E815 PolarHBondContact O-N 3.17Å; T812-E815 PolarHBondContact O-N 3.44Å; E815-E817 VanDerWaalsContact C-N 3.33Å |
| 816 | A | 84.1 | Confident | 87.2 | Confident | 34 Ų | 34 | 45.9 Ų | 45.9 | 28% | 0.281 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 12.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | V779 T812 S813 L814 L818 | V779-A816 HydrophobicContact CB-CB 4.23Å; V779-A816 HydrophobicContact CG1-CB 3.44Å; V779-A816 VanDerWaalsContact CG1-CB 3.44Å; V779-A816 HydrophobicContact CG2-CB 3.97Å; T812-A816 PolarHBondContact O-N 3.1Å; S813-A816 PolarHBondContact O-N 3.27Å; L814-A816 PolarHBondContact O-N 2.88Å; A816-L818 HydrophobicContact CB-CD1 4.38Å; A816-L818 HydrophobicContact CB-CG 4.32Å; A816-L818 PolarHBondContact O-N 3.31Å; A816-L818 VanDerWaalsContact O-N 3.09Å |
| 817 | E | 80.9 | Confident | 87.1 | Confident | 170 Ų | 170 | 49.7 Ų | 49.7 | 79% | 0.794 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59 | 15.9 | -176.8 | -56.7 | -174.8 | 164.5 | 0 | 0 | 114.7 | S813 L814 E815 V819 | S813-E817 PolarHBondContact O-N 2.94Å; L814-E817 PolarHBondContact O-N 2.72Å; E815-E817 VanDerWaalsContact C-N 3.33Å; E817-V819 VanDerWaalsContact C-N 3.27Å; E817-V819 PolarHBondContact O-N 2.99Å |
| 818 | L | 84.8 | Confident | 87.1 | Confident | 87 Ų | 87 | 49 Ų | 49 | 46% | 0.455 | 24% | 0.244 | S | C | . | . | trans | -85.5 | 65.2 | 173.9 | -60.4 | 175 | 0 | 0 | 0 | 110.5 | S813 A816 D820 D821 A822 | S813-L818 WeakPolarHBondContact O-CA 3.43Å; S813-L818 WeakPolarHBondContact O-CB 3.43Å; S813-L818 PolarHBondContact O-N 3.31Å; A816-L818 HydrophobicContact CB-CD1 4.38Å; A816-L818 HydrophobicContact CB-CG 4.32Å; A816-L818 PolarHBondContact O-N 3.31Å; A816-L818 VanDerWaalsContact O-N 3.09Å; L818-D820 VanDerWaalsContact C-N 3.29Å; L818-D820 PolarHBondContact O-N 3.14Å; L818-D821 HydrophobicContact CB-CB 4.39Å; L818-D821 PolarHBondContact O-N 3.34Å; L818-A822 PolarHBondContact O-N 2.84Å; L818-A822 VanDerWaalsContact O-N 3.16Å | ||
| 819 | V | 82.3 | Confident | 87.1 | Confident | 37 Ų | 37 | 48 Ų | 48 | 22% | 0.224 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.4 | -34.6 | -172.3 | -175.4 | 0 | 0 | 0 | 0 | 112.8 | E817 A822 L823 K859 | E817-V819 VanDerWaalsContact C-N 3.27Å; E817-V819 PolarHBondContact O-N 2.99Å; V819-A822 PolarHBondContact O-N 3.08Å; V819-L823 HydrophobicContact CG1-CD1 4.43Å; V819-L823 WeakPolarHBondContact O-CG 3.38Å; V819-L823 PolarHBondContact O-N 3.46Å; V819-K859 HydrophobicContact CG1-CB 4.2Å; V819-K859 HydrophobicContact CG1-CD 4.32Å; V819-K859 HydrophobicContact CG1-CG 4.47Å |
| 820 | D | 85.5 | Confident | 86.9 | Confident | 109 Ų | 109 | 48.6 Ų | 48.6 | 58% | 0.583 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -70.3 | -38.4 | -179.7 | -72.7 | -36.7 | 0 | 0 | 0 | 113.2 | L818 L823 R824 K859 | L818-D820 VanDerWaalsContact C-N 3.29Å; L818-D820 PolarHBondContact O-N 3.14Å; D820-L823 PolarHBondContact O-N 2.96Å; D820-R824 PolarHBondContact O-N 2.92Å; D820-R824 VanDerWaalsContact O-N 3.14Å; D820-K859 IonicContact OD1-NZ 3.48Å; D820-K859 PolarHBondContact OD1-NZ 2.9Å |
| 821 | D | 86 | Confident | 86.7 | Confident | 55 Ų | 55 | 52.8 Ų | 52.8 | 29% | 0.294 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.8 | -40.4 | 174.1 | -82.4 | -42.6 | 0 | 0 | 0 | 111 | L818 R824 Y825 | L818-D821 HydrophobicContact CB-CB 4.39Å; L818-D821 PolarHBondContact O-N 3.34Å; D821-R824 WeakPolarHBondContact O-CB 3.29Å; D821-R824 PolarHBondContact O-N 3.37Å; D821-R824 IonicContact OD1-CZ 2.7Å; D821-R824 IonicContact OD1-NH1 2.61Å; D821-R824 PolarHBondContact OD1-NH1 2.83Å; D821-R824 IonicContact OD1-NH2 3.4Å; D821-R824 PolarHBondContact OD1-NH2 2.97Å; D821-Y825 HydrophobicContact CB-CE2 4.24Å; D821-Y825 WeakPolarHBondContact O-CD2 3.48Å; D821-Y825 PolarHBondContact O-N 3.4Å; D821-Y825 VanDerWaalsContact O-N 3.08Å |
| 822 | A | 87.3 | Confident | 86.6 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.9 | -44.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A810 L814 L818 V819 R824 Y825 Y826 | A810-A822 WeakPolarHBondContact O-CB 3.33Å; L814-A822 HydrophobicContact CB-CB 4.38Å; L814-A822 HydrophobicContact CD1-CB 4.21Å; L814-A822 HydrophobicContact CD2-CB 4.49Å; L814-A822 HydrophobicContact CG-CB 3.62Å; L818-A822 PolarHBondContact O-N 2.84Å; L818-A822 VanDerWaalsContact O-N 3.16Å; V819-A822 PolarHBondContact O-N 3.08Å; A822-R824 VanDerWaalsContact C-N 3.29Å; A822-R824 PolarHBondContact O-N 3.43Å; A822-Y825 PolarHBondContact O-N 3.39Å; A822-Y826 VanDerWaalsContact O-CD2 3.3Å; A822-Y826 WeakPolarHBondContact O-CD2 3.35Å; A822-Y826 PolarHBondContact O-N 3.05Å |
| 823 | L | 87.7 | Confident | 86.4 | Confident | 12 Ų | 12 | 51.8 Ų | 51.8 | 6% | 0.063 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.1 | -42.4 | 173.8 | -79.6 | 170.8 | 0 | 0 | 0 | 111.7 | V819 D820 Y826 Q827 L852 C855 Y856 K859 | V819-L823 HydrophobicContact CG1-CD1 4.43Å; V819-L823 WeakPolarHBondContact O-CG 3.38Å; V819-L823 PolarHBondContact O-N 3.46Å; D820-L823 PolarHBondContact O-N 2.96Å; L823-Y826 PolarHBondContact O-N 3.43Å; L823-Q827 WeakPolarHBondContact O-CB 3.38Å; L823-Q827 VanDerWaalsContact O-CG 3.29Å; L823-Q827 WeakPolarHBondContact O-CG 3.44Å; L823-Q827 PolarHBondContact O-N 3.04Å; L823-L852 HydrophobicContact CD2-CD1 3.98Å; L823-C855 HydrophobicContact CD2-CB 3.81Å; L823-C855 VanDerWaalsContact CD2-SG 3.52Å; L823-C855 HydrophobicContact CG-CB 4.48Å; L823-C855 VanDerWaalsContact CG-SG 3.53Å; L823-Y856 HydrophobicContact CD2-CD1 4Å; L823-Y856 HydrophobicContact CD2-CE1 3.76Å; L823-K859 HydrophobicContact CD1-CD 3.64Å |
| 824 | R | 89.4 | Confident | 86 | Confident | 123 Ų | 123 | 55.5 Ų | 55.5 | 46% | 0.464 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61 | -47.2 | 177.3 | -174 | -177.5 | 66.5 | -145.4 | -15.6 | 111.7 | D820 D821 A822 Q827 E828 | D820-R824 PolarHBondContact O-N 2.92Å; D820-R824 VanDerWaalsContact O-N 3.14Å; D821-R824 WeakPolarHBondContact O-CB 3.29Å; D821-R824 PolarHBondContact O-N 3.37Å; D821-R824 IonicContact OD1-CZ 2.7Å; D821-R824 IonicContact OD1-NH1 2.61Å; D821-R824 PolarHBondContact OD1-NH1 2.83Å; D821-R824 IonicContact OD1-NH2 3.4Å; D821-R824 PolarHBondContact OD1-NH2 2.97Å; A822-R824 VanDerWaalsContact C-N 3.29Å; A822-R824 PolarHBondContact O-N 3.43Å; R824-Q827 PolarHBondContact O-N 3.25Å; R824-E828 PolarHBondContact O-N 3.02Å |
| 825 | Y | 90.6 | Very high | 85.7 | Confident | 11 Ų | 11 | 62.9 Ų | 62.9 | 4% | 0.043 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.4 | -39.6 | 179.7 | -65.3 | -55 | 0 | 0 | 0 | 112.7 | V783 Q787 L806 A809 S813 D821 A822 E828 R829 | V783-Y825 HydrophobicContact CG1-CE2 4.32Å; Q787-Y825 HydrophobicContact CG-CE1 4.43Å; Q787-Y825 PolarHBondContact NE2-OH 3.07Å; L806-Y825 HydrophobicContact CD2-CD1 4.16Å; A809-Y825 HydrophobicContact CB-CD1 4.35Å; A809-Y825 HydrophobicContact CB-CD2 4.14Å; A809-Y825 HydrophobicContact CB-CE2 4.32Å; A809-Y825 HydrophobicContact CB-CG 4.18Å; S813-Y825 WeakPolarHBondContact OG-CE2 3.46Å; D821-Y825 HydrophobicContact CB-CE2 4.24Å; D821-Y825 WeakPolarHBondContact O-CD2 3.48Å; D821-Y825 PolarHBondContact O-N 3.4Å; D821-Y825 VanDerWaalsContact O-N 3.08Å; A822-Y825 PolarHBondContact O-N 3.39Å; Y825-E828 PolarHBondContact O-N 3.48Å; Y825-R829 WeakPolarHBondContact O-CB 3.43Å; Y825-R829 PolarHBondContact O-N 3.2Å |
| 826 | Y | 90.9 | Very high | 85 | Confident | 7 Ų | 7 | 58 Ų | 58 | 3% | 0.027 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.4 | -37.7 | 175.2 | -73.1 | -47.3 | 0 | 0 | 0 | 112.7 | A810 L814 A822 L823 R829 L830 D851 C855 | A810-Y826 HydrophobicContact CB-CD1 3.6Å; A810-Y826 HydrophobicContact CB-CD2 3.89Å; A810-Y826 HydrophobicContact CB-CE1 3.33Å; A810-Y826 HydrophobicContact CB-CE2 3.67Å; A810-Y826 HydrophobicContact CB-CG 3.86Å; L814-Y826 HydrophobicContact CD1-CE2 3.55Å; A822-Y826 VanDerWaalsContact O-CD2 3.3Å; A822-Y826 WeakPolarHBondContact O-CD2 3.35Å; A822-Y826 PolarHBondContact O-N 3.05Å; L823-Y826 PolarHBondContact O-N 3.43Å; Y826-R829 PolarHBondContact O-N 3.33Å; Y826-L830 WeakPolarHBondContact O-CB 3.02Å; Y826-L830 PolarHBondContact O-N 2.81Å; Y826-D851 HydrophobicContact CD1-CB 3.81Å; Y826-D851 HydrophobicContact CE1-CB 3.48Å; Y826-D851 VanDerWaalsContact CE1-CB 3.48Å; Y826-D851 HydrophobicContact CE2-CB 4.36Å; Y826-D851 HydrophobicContact CG-CB 4.41Å; Y826-C855 HydrophobicContact CD2-CB 4.13Å; Y826-C855 HydrophobicContact CE2-CB 4.26Å |
| 827 | Q | 88.9 | Confident | 83.7 | Confident | 85 Ų | 85 | 62.1 Ų | 62.1 | 40% | 0.397 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.3 | -43.9 | 173.7 | -74.7 | 176.8 | -7.8 | 0 | 0 | 111.8 | L823 R824 R829 L830 D831 L852 | L823-Q827 WeakPolarHBondContact O-CB 3.38Å; L823-Q827 VanDerWaalsContact O-CG 3.29Å; L823-Q827 WeakPolarHBondContact O-CG 3.44Å; L823-Q827 PolarHBondContact O-N 3.04Å; R824-Q827 PolarHBondContact O-N 3.25Å; Q827-R829 VanDerWaalsContact C-N 3.31Å; Q827-R829 PolarHBondContact O-N 3.14Å; Q827-L830 WeakPolarHBondContact O-CB 3.49Å; Q827-L830 PolarHBondContact O-N 3.24Å; Q827-D831 PolarHBondContact O-N 3.35Å; Q827-L852 HydrophobicContact CG-CD1 4.14Å |
| 828 | E | 89.8 | Confident | 82.5 | Confident | 79 Ų | 79 | 55.8 Ų | 55.8 | 37% | 0.369 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60 | -43 | 174.8 | -173.3 | -176.4 | 167.7 | 0 | 0 | 111.5 | L806 R824 Y825 D831 I832 | L806-E828 HydrophobicContact CD1-CB 4.45Å; L806-E828 HydrophobicContact CD1-CG 4.06Å; R824-E828 PolarHBondContact O-N 3.02Å; Y825-E828 PolarHBondContact O-N 3.48Å; E828-D831 PolarHBondContact O-N 3.31Å; E828-I832 HydrophobicContact CG-CD1 4.16Å; E828-I832 WeakPolarHBondContact O-CG1 3.47Å; E828-I832 PolarHBondContact O-N 2.84Å; E828-I832 VanDerWaalsContact O-N 3.08Å |
| 829 | R | 89.8 | Confident | 81 | Confident | 6 Ų | 6 | 55 Ų | 55 | 2% | 0.023 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.8 | -45.1 | 175.7 | -172.6 | -177.8 | 160.9 | -150.8 | -7.3 | 111.3 | V803 L806 R807 Y825 Y826 Q827 D831 I832 V833 C848 D851 | V803-R829 HydrophobicContact CG1-CG 3.87Å; V803-R829 WeakPolarHBondContact O-CD 3.41Å; V803-R829 PolarHBondContact O-NE 3.22Å; L806-R829 HydrophobicContact CB-CB 4.04Å; L806-R829 HydrophobicContact CB-CG 4.34Å; L806-R829 HydrophobicContact CD1-CB 4.16Å; R807-R829 VanDerWaalsContact CG-NH1 3.35Å; Y825-R829 WeakPolarHBondContact O-CB 3.43Å; Y825-R829 PolarHBondContact O-N 3.2Å; Y826-R829 PolarHBondContact O-N 3.33Å; Q827-R829 VanDerWaalsContact C-N 3.31Å; Q827-R829 PolarHBondContact O-N 3.14Å; R829-D831 PolarHBondContact O-N 3.07Å; R829-I832 PolarHBondContact O-N 3.01Å; R829-V833 WeakPolarHBondContact O-CG2 3.43Å; R829-V833 PolarHBondContact O-N 2.82Å; R829-V833 VanDerWaalsContact O-N 3.14Å; R829-C848 PolarHBondContact NE-SG 2.87Å; R829-D851 IonicContact CZ-OD2 3.42Å; R829-D851 IonicContact NH1-OD2 3.53Å; R829-D851 PolarHBondContact NH1-OD2 3.36Å; R829-D851 IonicContact NH2-OD2 2.71Å |
| 830 | L | 87 | Confident | 79.9 | Confident | 13 Ų | 13 | 54.8 Ų | 54.8 | 7% | 0.068 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.5 | -42.4 | 176.8 | -175.3 | 68.2 | 0 | 0 | 0 | 111.8 | Y826 Q827 I832 V833 K834 L845 C848 L849 L852 | Y826-L830 WeakPolarHBondContact O-CB 3.02Å; Y826-L830 PolarHBondContact O-N 2.81Å; Q827-L830 WeakPolarHBondContact O-CB 3.49Å; Q827-L830 PolarHBondContact O-N 3.24Å; L830-I832 PolarHBondContact O-N 3.27Å; L830-V833 PolarHBondContact O-N 2.88Å; L830-K834 HydrophobicContact CD1-CD 4.46Å; L830-K834 HydrophobicContact CD1-CG 4.42Å; L830-K834 HydrophobicContact CG-CD 4.12Å; L830-K834 HydrophobicContact CG-CG 4.39Å; L830-K834 WeakPolarHBondContact O-CB 3.46Å; L830-K834 WeakPolarHBondContact O-CG 3.34Å; L830-K834 PolarHBondContact O-N 2.84Å; L830-L845 HydrophobicContact CD1-CD1 3.53Å; L830-C848 HydrophobicContact CD1-CB 3.86Å; L830-L849 HydrophobicContact CD1-CD2 3.85Å; L830-L849 HydrophobicContact CD1-CG 4.11Å; L830-L849 HydrophobicContact CD2-CD2 4.13Å; L830-L852 HydrophobicContact CD2-CD2 4.02Å |
| 831 | D | 86.1 | Confident | 79 | Confident | 87 Ų | 87 | 54 Ų | 54 | 47% | 0.465 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.7 | -37.8 | 179.2 | -77.8 | -14.2 | 0 | 0 | 0 | 112.6 | Q827 E828 R829 K835 | Q827-D831 PolarHBondContact O-N 3.35Å; E828-D831 PolarHBondContact O-N 3.31Å; R829-D831 PolarHBondContact O-N 3.07Å; D831-K835 WeakPolarHBondContact O-CB 3.11Å; D831-K835 VanDerWaalsContact O-CG 3.27Å; D831-K835 WeakPolarHBondContact O-CG 3.32Å; D831-K835 PolarHBondContact O-N 3.04Å; D831-K835 VanDerWaalsContact O-N 3.15Å |
| 832 | I | 85.4 | Confident | 78 | Confident | 32 Ų | 32 | 54.2 Ų | 54.2 | 16% | 0.164 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.5 | -44.2 | 175.7 | -70.2 | 162.7 | 0 | 0 | 0 | 110.5 | F799 K802 V803 L806 E828 R829 L830 K835 S836 | F799-I832 HydrophobicContact CD2-CG2 4Å; F799-I832 HydrophobicContact CE2-CG2 3.58Å; K802-I832 HydrophobicContact CD-CD1 4Å; K802-I832 HydrophobicContact CG-CD1 4.4Å; V803-I832 HydrophobicContact CG2-CG2 4.12Å; L806-I832 HydrophobicContact CD1-CD1 3.47Å; L806-I832 VanDerWaalsContact CD1-CD1 3.47Å; E828-I832 HydrophobicContact CG-CD1 4.16Å; E828-I832 WeakPolarHBondContact O-CG1 3.47Å; E828-I832 PolarHBondContact O-N 2.84Å; E828-I832 VanDerWaalsContact O-N 3.08Å; R829-I832 PolarHBondContact O-N 3.01Å; L830-I832 PolarHBondContact O-N 3.27Å; I832-K835 PolarHBondContact O-N 3.21Å; I832-S836 PolarHBondContact O-N 2.92Å |
| 833 | V | 82.8 | Confident | 77 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.7 | -40.5 | 178.8 | 176 | 0 | 0 | 0 | 0 | 111.5 | F799 V803 R829 L830 K835 S836 R841 L844 L845 | F799-V833 HydrophobicContact CZ-CG2 4.22Å; V803-V833 HydrophobicContact CG1-CG2 4.23Å; V803-V833 HydrophobicContact CG2-CG2 3.98Å; R829-V833 WeakPolarHBondContact O-CG2 3.43Å; R829-V833 PolarHBondContact O-N 2.82Å; R829-V833 VanDerWaalsContact O-N 3.14Å; L830-V833 PolarHBondContact O-N 2.88Å; V833-K835 PolarHBondContact O-N 3.39Å; V833-S836 PolarHBondContact O-N 2.68Å; V833-S836 PolarHBondContact O-OG 3.35Å; V833-R841 HydrophobicContact CG1-CG 4.2Å; V833-R841 WeakPolarHBondContact CG1-O 3.22Å; V833-R841 VanDerWaalsContact O-CD 3.28Å; V833-R841 WeakPolarHBondContact O-CD 3.23Å; V833-R841 WeakPolarHBondContact O-CG 3.48Å; V833-L844 HydrophobicContact CG1-CB 3.86Å; V833-L844 HydrophobicContact CG2-CB 4.08Å; V833-L845 HydrophobicContact CG1-CB 4.04Å |
| 834 | K | 79.8 | Confident | 76.2 | Confident | 80 Ų | 80 | 55.3 Ų | 55.3 | 35% | 0.348 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.4 | -24.8 | 175.3 | -77.3 | -175.7 | 176.4 | -178.3 | 0 | 112.8 | L830 R841 L845 E871 | L830-K834 HydrophobicContact CD1-CD 4.46Å; L830-K834 HydrophobicContact CD1-CG 4.42Å; L830-K834 HydrophobicContact CG-CD 4.12Å; L830-K834 HydrophobicContact CG-CG 4.39Å; L830-K834 WeakPolarHBondContact O-CB 3.46Å; L830-K834 WeakPolarHBondContact O-CG 3.34Å; L830-K834 PolarHBondContact O-N 2.84Å; K834-R841 PolarHBondContact O-NH1 3.27Å; K834-R841 PolarHBondContact O-NH2 3.46Å; K834-L845 HydrophobicContact CG-CD1 3.85Å; K834-E871 IonicContact NZ-OE2 3.89Å |
| 835 | K | 78.4 | Confident | 75.7 | Confident | 176 Ų | 176 | 50.5 Ų | 50.5 | 77% | 0.765 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -84.9 | -17 | 176.6 | -74.8 | 172 | -175.5 | 170.3 | 0 | 114 | D831 I832 V833 | D831-K835 WeakPolarHBondContact O-CB 3.11Å; D831-K835 VanDerWaalsContact O-CG 3.27Å; D831-K835 WeakPolarHBondContact O-CG 3.32Å; D831-K835 PolarHBondContact O-N 3.04Å; D831-K835 VanDerWaalsContact O-N 3.15Å; I832-K835 PolarHBondContact O-N 3.21Å; V833-K835 PolarHBondContact O-N 3.39Å |
| 836 | S | 67.6 | Low | 74.9 | Confident | 14 Ų | 14 | 50.4 Ų | 50.4 | 10% | 0.098 | 26% | 0.255 | C | S | . | . | trans | -74.3 | 148.4 | -178 | 74 | 0 | 0 | 0 | 0 | 111.8 | I832 V833 T838 R841 | I832-S836 PolarHBondContact O-N 2.92Å; V833-S836 PolarHBondContact O-N 2.68Å; V833-S836 PolarHBondContact O-OG 3.35Å; S836-T838 WeakPolarHBondContact CB-OG1 3.36Å; S836-T838 PolarHBondContact OG-OG1 2.84Å; S836-R841 WeakPolarHBondContact O-CD 3.37Å; S836-R841 PolarHBondContact O-NH1 3.36Å | ||
| 837 | S | 57.3 | Low | 74.3 | Confident | 121 Ų | 121 | 52.4 Ų | 52.4 | 85% | 0.846 | 27% | 0.266 | S | S | * | . | trans | -100.2 | 12.4 | 173.1 | 60.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 838 | T | 55.6 | Low | 74 | Confident | 38 Ų | 38 | 48.4 Ų | 48.4 | 23% | 0.233 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -87.3 | 147.8 | -171.6 | 49.1 | 0 | 0 | 0 | 0 | 111.4 | S836 H840 R841 | S836-T838 WeakPolarHBondContact CB-OG1 3.36Å; S836-T838 PolarHBondContact OG-OG1 2.84Å; T838-H840 PolarHBondContact O-N 3.3Å; T838-R841 WeakPolarHBondContact O-CB 3.36Å; T838-R841 PolarHBondContact O-N 3.42Å |
| 839 | D | 53 | Low | 73.8 | Confident | 71 Ų | 71 | 44.8 Ų | 44.8 | 38% | 0.38 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -27.1 | 179.6 | -61.3 | -40.4 | 0 | 0 | 0 | 112.3 | I579 G580 R841 | I579-D839 PolarHBondContact N-OD2 3.42Å; I579-D839 VanDerWaalsContact N-OD2 3.16Å; G580-D839 WeakPolarHBondContact CA-OD2 3.29Å; G580-D839 PolarHBondContact N-OD2 3.33Å; D839-R841 PolarHBondContact O-N 2.9Å; D839-R841 VanDerWaalsContact O-N 3.1Å |
| 840 | H | 58.7 | Low | 73.6 | Confident | 32 Ų | 32 | 46.1 Ų | 46.1 | 15% | 0.148 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.8 | -17.2 | 171 | -50.9 | -59.6 | 0 | 0 | 0 | 113.8 | I579 K615 T838 L842 V843 L844 | I579-H840 WeakPolarHBondContact CD1-NE2 3.49Å; K615-H840 PolarHBondContact O-CE1 3.49Å; T838-H840 PolarHBondContact O-N 3.3Å; H840-L842 PolarHBondContact O-N 3.18Å; H840-V843 PolarHBondContact O-N 2.85Å; H840-L844 HydrophobicContact CB-CD1 3.9Å; H840-L844 HydrophobicContact CB-CG 4.41Å; H840-L844 WeakPolarHBondContact O-CB 3.26Å; H840-L844 WeakPolarHBondContact O-CG 3.32Å; H840-L844 PolarHBondContact O-N 2.84Å |
| 841 | R | 66.9 | Low | 73.4 | Confident | 92 Ų | 92 | 46.8 Ų | 46.8 | 35% | 0.347 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -53.6 | -43.2 | -177 | 172.8 | 164.8 | 164.2 | 179.4 | 1.9 | 111.4 | V833 K834 S836 T838 D839 L845 | V833-R841 HydrophobicContact CG1-CG 4.2Å; V833-R841 WeakPolarHBondContact CG1-O 3.22Å; V833-R841 VanDerWaalsContact O-CD 3.28Å; V833-R841 WeakPolarHBondContact O-CD 3.23Å; V833-R841 WeakPolarHBondContact O-CG 3.48Å; K834-R841 PolarHBondContact O-NH1 3.27Å; K834-R841 PolarHBondContact O-NH2 3.46Å; S836-R841 WeakPolarHBondContact O-CD 3.37Å; S836-R841 PolarHBondContact O-NH1 3.36Å; T838-R841 WeakPolarHBondContact O-CB 3.36Å; T838-R841 PolarHBondContact O-N 3.42Å; D839-R841 PolarHBondContact O-N 2.9Å; D839-R841 VanDerWaalsContact O-N 3.1Å; R841-L845 WeakPolarHBondContact O-CA 3.23Å; R841-L845 WeakPolarHBondContact O-CB 3.37Å; R841-L845 PolarHBondContact O-N 3.43Å |
| 842 | L | 65.6 | Low | 73.6 | Confident | 60 Ų | 60 | 43 Ų | 43 | 31% | 0.314 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -70.2 | -45.7 | -174.8 | -66.3 | 175.3 | 0 | 0 | 0 | 112.1 | H840 L845 E846 V875 I879 | H840-L842 PolarHBondContact O-N 3.18Å; L842-L845 PolarHBondContact O-N 3.44Å; L842-E846 PolarHBondContact O-N 2.89Å; L842-V875 HydrophobicContact CD2-CG1 4.23Å; L842-I879 HydrophobicContact CB-CD1 3.25Å; L842-I879 HydrophobicContact CD1-CD1 3.89Å; L842-I879 HydrophobicContact CG-CD1 4.21Å |
| 843 | V | 65.2 | Low | 73.6 | Confident | 23 Ų | 23 | 41.4 Ų | 41.4 | 14% | 0.139 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.4 | -44.7 | 176.3 | -179 | 0 | 0 | 0 | 0 | 111.2 | H840 L845 N847 I879 | H840-V843 PolarHBondContact O-N 2.85Å; V843-L845 VanDerWaalsContact C-N 3.34Å; V843-N847 PolarHBondContact O-N 3.36Å; V843-N847 PolarHBondContact O-ND2 3.46Å; V843-I879 HydrophobicContact CG2-CD1 3.93Å; V843-I879 HydrophobicContact CG2-CG1 4.4Å; V843-I879 HydrophobicContact CG2-CG2 3.98Å |
| 844 | L | 72.1 | Confident | 73.7 | Confident | 12 Ų | 12 | 43.9 Ų | 43.9 | 6% | 0.063 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.9 | -34.8 | 177.7 | -69 | 171.9 | 0 | 0 | 0 | 111.6 | F799 L800 V803 V833 H840 N847 C848 | F799-L844 HydrophobicContact CE1-CD1 3.57Å; F799-L844 HydrophobicContact CZ-CD1 4.26Å; L800-L844 HydrophobicContact CD1-CD1 4.24Å; L800-L844 HydrophobicContact CD1-CD2 4.25Å; V803-L844 HydrophobicContact CG1-CD2 4.34Å; V833-L844 HydrophobicContact CG1-CB 3.86Å; V833-L844 HydrophobicContact CG2-CB 4.08Å; H840-L844 HydrophobicContact CB-CD1 3.9Å; H840-L844 HydrophobicContact CB-CG 4.41Å; H840-L844 WeakPolarHBondContact O-CB 3.26Å; H840-L844 WeakPolarHBondContact O-CG 3.32Å; H840-L844 PolarHBondContact O-N 2.84Å; L844-N847 PolarHBondContact O-N 3.32Å; L844-C848 WeakPolarHBondContact O-CB 3.41Å; L844-C848 PolarHBondContact O-N 3.07Å; L844-C848 PolarHBondContact O-SG 3.21Å |
| 845 | L | 77.4 | Confident | 74 | Confident | 22 Ų | 22 | 40 Ų | 40 | 12% | 0.115 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.8 | -46.6 | 178.4 | 178.2 | 68.7 | 0 | 0 | 0 | 110.2 | L830 V833 K834 R841 L842 V843 N847 C848 L849 V875 | L830-L845 HydrophobicContact CD1-CD1 3.53Å; V833-L845 HydrophobicContact CG1-CB 4.04Å; K834-L845 HydrophobicContact CG-CD1 3.85Å; R841-L845 WeakPolarHBondContact O-CA 3.23Å; R841-L845 WeakPolarHBondContact O-CB 3.37Å; R841-L845 PolarHBondContact O-N 3.43Å; L842-L845 PolarHBondContact O-N 3.44Å; V843-L845 VanDerWaalsContact C-N 3.34Å; L845-N847 PolarHBondContact O-N 2.99Å; L845-C848 PolarHBondContact O-N 3.2Å; L845-L849 HydrophobicContact CD1-CD1 4.24Å; L845-L849 HydrophobicContact CD1-CG 4.3Å; L845-L849 HydrophobicContact CG-CD1 3.98Å; L845-L849 HydrophobicContact CG-CG 4.43Å; L845-L849 WeakPolarHBondContact O-CB 3.37Å; L845-L849 VanDerWaalsContact O-CG 3.26Å; L845-L849 WeakPolarHBondContact O-CG 3.38Å; L845-L849 PolarHBondContact O-N 3.27Å; L845-V875 HydrophobicContact CD2-CG2 4.48Å |
| 846 | E | 75.3 | Confident | 74.4 | Confident | 9 Ų | 9 | 32.6 Ų | 32.6 | 4% | 0.042 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -55.4 | -52.3 | 175.7 | -168.2 | -161.6 | 139.6 | 0 | 0 | 111 | L842 C848 L849 F850 I872 L881 N883 | L842-E846 PolarHBondContact O-N 2.89Å; E846-C848 PolarHBondContact O-N 3.02Å; E846-L849 PolarHBondContact O-N 3.22Å; E846-F850 HydrophobicContact CG-CD2 3.99Å; E846-F850 HydrophobicContact CG-CE2 3.92Å; E846-F850 WeakPolarHBondContact O-CD2 3.44Å; E846-F850 PolarHBondContact O-N 2.93Å; E846-I872 HydrophobicContact CG-CG2 4.17Å; E846-L881 HydrophobicContact CG-CD2 3.95Å; E846-L881 VanDerWaalsContact OE1-CD2 3.3Å; E846-L881 WeakPolarHBondContact OE1-CD2 3.44Å; E846-L881 WeakPolarHBondContact OE2-CD2 3.49Å; E846-N883 WeakPolarHBondContact OE1-CB 3.5Å; E846-N883 PolarHBondContact OE1-ND2 3.41Å |
| 847 | N | 77.6 | Confident | 75.2 | Confident | 49 Ų | 49 | 34 Ų | 34 | 26% | 0.262 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -60.1 | -42.2 | 177.9 | -73.2 | -33.4 | 0 | 0 | 0 | 112.6 | V843 L844 L845 L849 F850 D851 | V843-N847 PolarHBondContact O-N 3.36Å; V843-N847 PolarHBondContact O-ND2 3.46Å; L844-N847 PolarHBondContact O-N 3.32Å; L845-N847 PolarHBondContact O-N 2.99Å; N847-L849 VanDerWaalsContact C-N 3.34Å; N847-L849 PolarHBondContact O-N 3.38Å; N847-F850 PolarHBondContact O-N 3.05Å; N847-D851 VanDerWaalsContact O-CG 3.32Å; N847-D851 PolarHBondContact O-N 3.42Å |
| 848 | C | 83 | Confident | 76.3 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.007 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.5 | -39 | 177.6 | -67.9 | 0 | 0 | 0 | 0 | 112.1 | R829 L830 L844 L845 E846 L852 | R829-C848 PolarHBondContact NE-SG 2.87Å; L830-C848 HydrophobicContact CD1-CB 3.86Å; L844-C848 WeakPolarHBondContact O-CB 3.41Å; L844-C848 PolarHBondContact O-N 3.07Å; L844-C848 PolarHBondContact O-SG 3.21Å; L845-C848 PolarHBondContact O-N 3.2Å; E846-C848 PolarHBondContact O-N 3.02Å; C848-L852 WeakPolarHBondContact O-CB 3.45Å; C848-L852 PolarHBondContact O-N 3.4Å |
| 849 | L | 85.5 | Confident | 77.7 | Confident | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -70 | -38.8 | 178 | -70.8 | 172.8 | 0 | 0 | 0 | 111.4 | L830 L845 E846 N847 L852 A853 E871 I872 | L830-L849 HydrophobicContact CD1-CD2 3.85Å; L830-L849 HydrophobicContact CD1-CG 4.11Å; L830-L849 HydrophobicContact CD2-CD2 4.13Å; L845-L849 HydrophobicContact CD1-CD1 4.24Å; L845-L849 HydrophobicContact CD1-CG 4.3Å; L845-L849 HydrophobicContact CG-CD1 3.98Å; L845-L849 HydrophobicContact CG-CG 4.43Å; L845-L849 WeakPolarHBondContact O-CB 3.37Å; L845-L849 VanDerWaalsContact O-CG 3.26Å; L845-L849 WeakPolarHBondContact O-CG 3.38Å; L845-L849 PolarHBondContact O-N 3.27Å; E846-L849 PolarHBondContact O-N 3.22Å; N847-L849 VanDerWaalsContact C-N 3.34Å; N847-L849 PolarHBondContact O-N 3.38Å; L849-L852 PolarHBondContact O-N 2.94Å; L849-A853 VanDerWaalsContact O-CB 3.3Å; L849-A853 WeakPolarHBondContact O-CB 3.47Å; L849-A853 PolarHBondContact O-N 3.16Å; L849-E871 HydrophobicContact CD1-CB 4.09Å; L849-E871 HydrophobicContact CD2-CB 4.44Å; L849-I872 HydrophobicContact CB-CD1 3.91Å; L849-I872 HydrophobicContact CB-CG1 3.41Å; L849-I872 VanDerWaalsContact CB-CG1 3.41Å; L849-I872 HydrophobicContact CD1-CG1 4.07Å; L849-I872 HydrophobicContact CG-CG1 4.38Å |
| 850 | F | 84.3 | Confident | 79 | Confident | 34 Ų | 34 | 37.4 Ų | 37.4 | 15% | 0.149 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.7 | -47.3 | 173.7 | -94.1 | -69.6 | 0 | 0 | 0 | 112.3 | E846 N847 L852 A853 S854 Y869 I872 N883 L886 A887 | E846-F850 HydrophobicContact CG-CD2 3.99Å; E846-F850 HydrophobicContact CG-CE2 3.92Å; E846-F850 WeakPolarHBondContact O-CD2 3.44Å; E846-F850 PolarHBondContact O-N 2.93Å; N847-F850 PolarHBondContact O-N 3.05Å; F850-L852 VanDerWaalsContact C-N 3.29Å; F850-L852 PolarHBondContact O-N 3.34Å; F850-A853 PolarHBondContact O-N 3.48Å; F850-S854 PolarHBondContact O-N 3.02Å; F850-Y869 HydrophobicContact CD1-CE1 4.06Å; F850-Y869 HydrophobicContact CE1-CD1 4.47Å; F850-Y869 HydrophobicContact CE1-CE1 4.01Å; F850-I872 HydrophobicContact CB-CD1 4.36Å; F850-I872 HydrophobicContact CD1-CD1 3.93Å; F850-I872 HydrophobicContact CD2-CD1 3.94Å; F850-I872 HydrophobicContact CD2-CG2 4.19Å; F850-I872 HydrophobicContact CE1-CD1 4.19Å; F850-I872 HydrophobicContact CE2-CD1 4.2Å; F850-I872 HydrophobicContact CE2-CG2 3.59Å; F850-I872 HydrophobicContact CG-CD1 3.8Å; F850-I872 HydrophobicContact CZ-CD1 4.33Å; F850-I872 HydrophobicContact CZ-CG2 3.93Å; F850-N883 HydrophobicContact CE2-CB 3.55Å; F850-N883 HydrophobicContact CZ-CB 3.61Å; F850-L886 HydrophobicContact CE1-CB 4.15Å; F850-L886 HydrophobicContact CZ-CB 4.28Å; F850-A887 HydrophobicContact CE1-CB 4.23Å; F850-A887 HydrophobicContact CZ-CB 3.7Å |
| 851 | D | 84.8 | Confident | 80.2 | Confident | 26 Ų | 26 | 38.6 Ų | 38.6 | 14% | 0.139 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.6 | -40.1 | 178 | -71.3 | -29 | 0 | 0 | 0 | 111.3 | R807 Y826 R829 N847 C855 | R807-D851 IonicContact NE-OD2 3.9Å; Y826-D851 HydrophobicContact CD1-CB 3.81Å; Y826-D851 HydrophobicContact CE1-CB 3.48Å; Y826-D851 VanDerWaalsContact CE1-CB 3.48Å; Y826-D851 HydrophobicContact CE2-CB 4.36Å; Y826-D851 HydrophobicContact CG-CB 4.41Å; R829-D851 IonicContact CZ-OD2 3.42Å; R829-D851 IonicContact NH1-OD2 3.53Å; R829-D851 PolarHBondContact NH1-OD2 3.36Å; R829-D851 IonicContact NH2-OD2 2.71Å; N847-D851 VanDerWaalsContact O-CG 3.32Å; N847-D851 PolarHBondContact O-N 3.42Å; D851-C855 WeakPolarHBondContact O-CB 3.18Å; D851-C855 PolarHBondContact O-N 3.23Å |
| 852 | L | 88.9 | Confident | 81.1 | Confident | 7 Ų | 7 | 35.5 Ų | 35.5 | 4% | 0.037 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.6 | -41.7 | 175.2 | -172.9 | 68.6 | 0 | 0 | 0 | 112 | L823 Q827 L830 C848 L849 F850 C855 Y856 T868 | L823-L852 HydrophobicContact CD2-CD1 3.98Å; Q827-L852 HydrophobicContact CG-CD1 4.14Å; L830-L852 HydrophobicContact CD2-CD2 4.02Å; C848-L852 WeakPolarHBondContact O-CB 3.45Å; C848-L852 PolarHBondContact O-N 3.4Å; L849-L852 PolarHBondContact O-N 2.94Å; F850-L852 VanDerWaalsContact C-N 3.29Å; F850-L852 PolarHBondContact O-N 3.34Å; L852-C855 WeakPolarHBondContact O-CB 3.14Å; L852-C855 PolarHBondContact O-N 3.1Å; L852-Y856 HydrophobicContact CD1-CE2 4.01Å; L852-Y856 HydrophobicContact CD2-CE2 3.85Å; L852-Y856 HydrophobicContact CG-CD2 4.08Å; L852-Y856 HydrophobicContact CG-CE2 3.55Å; L852-Y856 WeakPolarHBondContact O-CD2 3.4Å; L852-Y856 PolarHBondContact O-N 3.15Å; L852-T868 HydrophobicContact CD2-CG2 4.06Å; L852-T868 HydrophobicContact CG-CG2 4.44Å |
| 853 | A | 86.5 | Confident | 82 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.6 | -46.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L849 F850 C855 Y856 E857 T868 Y869 | L849-A853 VanDerWaalsContact O-CB 3.3Å; L849-A853 WeakPolarHBondContact O-CB 3.47Å; L849-A853 PolarHBondContact O-N 3.16Å; F850-A853 PolarHBondContact O-N 3.48Å; A853-C855 VanDerWaalsContact C-N 3.26Å; A853-C855 PolarHBondContact O-N 3.3Å; A853-Y856 WeakPolarHBondContact O-CA 3.41Å; A853-Y856 WeakPolarHBondContact O-CB 3.35Å; A853-Y856 PolarHBondContact O-N 3.37Å; A853-E857 WeakPolarHBondContact O-CG 3.32Å; A853-E857 PolarHBondContact O-N 3.31Å; A853-T868 WeakPolarHBondContact CB-OG1 3.19Å; A853-Y869 HydrophobicContact CB-CD1 4.16Å; A853-Y869 HydrophobicContact CB-CD2 4.29Å; A853-Y869 HydrophobicContact CB-CE1 3.71Å; A853-Y869 HydrophobicContact CB-CE2 3.86Å; A853-Y869 HydrophobicContact CB-CG 4.4Å |
| 854 | S | 84.9 | Confident | 83.1 | Confident | 51 Ų | 51 | 43.7 Ų | 43.7 | 36% | 0.357 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59.5 | -37.6 | 174.8 | -173.4 | 0 | 0 | 0 | 0 | 112.1 | F850 E857 K858 | F850-S854 PolarHBondContact O-N 3.02Å; S854-E857 PolarHBondContact O-N 3.43Å; S854-K858 PolarHBondContact O-N 2.74Å |
| 855 | C | 86.1 | Confident | 83.8 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.5 | -40.8 | 174.4 | -156.1 | 0 | 0 | 0 | 0 | 112.1 | L823 Y826 D851 L852 A853 K858 K859 | L823-C855 HydrophobicContact CD2-CB 3.81Å; L823-C855 VanDerWaalsContact CD2-SG 3.52Å; L823-C855 HydrophobicContact CG-CB 4.48Å; L823-C855 VanDerWaalsContact CG-SG 3.53Å; Y826-C855 HydrophobicContact CD2-CB 4.13Å; Y826-C855 HydrophobicContact CE2-CB 4.26Å; D851-C855 WeakPolarHBondContact O-CB 3.18Å; D851-C855 PolarHBondContact O-N 3.23Å; L852-C855 WeakPolarHBondContact O-CB 3.14Å; L852-C855 PolarHBondContact O-N 3.1Å; A853-C855 VanDerWaalsContact C-N 3.26Å; A853-C855 PolarHBondContact O-N 3.3Å; C855-K858 PolarHBondContact O-N 3.46Å; C855-K859 PolarHBondContact O-N 3.41Å; C855-K859 VanDerWaalsContact O-N 3.09Å |
| 856 | Y | 87.3 | Confident | 84.3 | Confident | 20 Ų | 20 | 42.2 Ų | 42.2 | 8% | 0.078 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.4 | -36.6 | 173.7 | -72 | -46.4 | 0 | 0 | 0 | 113.2 | L823 L852 A853 K859 K860 Q861 R864 T868 | L823-Y856 HydrophobicContact CD2-CD1 4Å; L823-Y856 HydrophobicContact CD2-CE1 3.76Å; L852-Y856 HydrophobicContact CD1-CE2 4.01Å; L852-Y856 HydrophobicContact CD2-CE2 3.85Å; L852-Y856 HydrophobicContact CG-CD2 4.08Å; L852-Y856 HydrophobicContact CG-CE2 3.55Å; L852-Y856 WeakPolarHBondContact O-CD2 3.4Å; L852-Y856 PolarHBondContact O-N 3.15Å; A853-Y856 WeakPolarHBondContact O-CA 3.41Å; A853-Y856 WeakPolarHBondContact O-CB 3.35Å; A853-Y856 PolarHBondContact O-N 3.37Å; Y856-K859 CarbonylContact O-C 3.54Å; Y856-K859 PolarHBondContact O-N 3.11Å; Y856-K860 PolarHBondContact O-N 3.17Å; Y856-K860 VanDerWaalsContact O-N 3.09Å; Y856-Q861 HydrophobicContact CD1-CB 4.35Å; Y856-Q861 PolarHBondContact O-N 3.16Å; Y856-R864 HydrophobicContact CD1-CB 3.99Å; Y856-R864 HydrophobicContact CD2-CB 3.94Å; Y856-R864 HydrophobicContact CE1-CB 4.2Å; Y856-R864 HydrophobicContact CE2-CB 4.12Å; Y856-R864 HydrophobicContact CG-CB 3.89Å; Y856-T868 HydrophobicContact CD2-CG2 3.81Å; Y856-T868 HydrophobicContact CE2-CG2 3.64Å |
| 857 | E | 84.2 | Confident | 85 | Confident | 42 Ų | 42 | 44.2 Ų | 44.2 | 20% | 0.196 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.6 | -45.9 | 173.5 | -70.5 | -171.9 | 148.7 | 0 | 0 | 111.7 | A853 S854 K859 K860 W862 A865 Y869 | A853-E857 WeakPolarHBondContact O-CG 3.32Å; A853-E857 PolarHBondContact O-N 3.31Å; S854-E857 PolarHBondContact O-N 3.43Å; E857-K859 VanDerWaalsContact C-N 3.28Å; E857-K859 PolarHBondContact O-N 3Å; E857-K860 WeakPolarHBondContact O-CA 3.39Å; E857-K860 PolarHBondContact O-N 3.01Å; E857-W862 HydrophobicContact CB-CZ3 4.17Å; E857-W862 HydrophobicContact CG-CZ3 4.13Å; E857-A865 HydrophobicContact CG-CB 4.03Å; E857-Y869 VanDerWaalsContact CD-OH 3.25Å; E857-Y869 HydrophobicContact CG-CE2 4.29Å; E857-Y869 WeakPolarHBondContact OE1-CE2 3.49Å; E857-Y869 PolarHBondContact OE1-OH 3.37Å |
| 858 | K | 80 | Confident | 85.5 | Confident | 129 Ų | 129 | 42.2 Ų | 42.2 | 56% | 0.561 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -60.4 | -36.9 | 175 | -78.6 | -175.3 | 173.8 | -172.8 | 0 | 112.3 | L814 S854 C855 K860 | L814-K858 HydrophobicContact CD2-CD 3.58Å; S854-K858 PolarHBondContact O-N 2.74Å; C855-K858 PolarHBondContact O-N 3.46Å; K858-K860 PolarHBondContact O-N 2.9Å |
| 859 | K | 84.1 | Confident | 85.8 | Confident | 75 Ų | 75 | 42.8 Ų | 42.8 | 33% | 0.326 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -0.4 | 174 | -158.9 | 168.5 | 177 | 169.2 | 0 | 113.4 | V819 D820 L823 C855 Y856 E857 Q861 | V819-K859 HydrophobicContact CG1-CB 4.2Å; V819-K859 HydrophobicContact CG1-CD 4.32Å; V819-K859 HydrophobicContact CG1-CG 4.47Å; D820-K859 IonicContact OD1-NZ 3.48Å; D820-K859 PolarHBondContact OD1-NZ 2.9Å; L823-K859 HydrophobicContact CD1-CD 3.64Å; C855-K859 PolarHBondContact O-N 3.41Å; C855-K859 VanDerWaalsContact O-N 3.09Å; Y856-K859 CarbonylContact O-C 3.54Å; Y856-K859 PolarHBondContact O-N 3.11Å; E857-K859 VanDerWaalsContact C-N 3.28Å; E857-K859 PolarHBondContact O-N 3Å; K859-Q861 HydrophobicContact CB-CG 4.22Å; K859-Q861 HydrophobicContact CD-CG 4.37Å; K859-Q861 HydrophobicContact CG-CG 4.05Å; K859-Q861 PolarHBondContact O-N 3.17Å |
| 860 | K | 80.1 | Confident | 85.8 | Confident | 99 Ų | 99 | 49.2 Ų | 49.2 | 43% | 0.43 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 27.2 | -174.8 | -52.8 | -177 | -179.1 | 175.5 | 0 | 114.2 | Y856 E857 K858 W862 D1121 | Y856-K860 PolarHBondContact O-N 3.17Å; Y856-K860 VanDerWaalsContact O-N 3.09Å; E857-K860 WeakPolarHBondContact O-CA 3.39Å; E857-K860 PolarHBondContact O-N 3.01Å; K858-K860 PolarHBondContact O-N 2.9Å; K860-W862 VanDerWaalsContact C-N 3.27Å; K860-W862 HydrophobicContact CB-CZ2 3.83Å; K860-W862 HydrophobicContact CG-CZ2 3.93Å; K860-W862 PolarHBondContact O-N 2.87Å; K860-W862 VanDerWaalsContact O-N 3.09Å; K860-W862 PolarHBondContact O-NE1 3.02Å; K860-D1121 WeakPolarHBondContact CD-OD2 3.36Å; K860-D1121 IonicContact NZ-OD2 3.26Å; K860-D1121 PolarHBondContact NZ-OD2 3Å |
| 861 | Q | 85.7 | Confident | 85.8 | Confident | 57 Ų | 57 | 51.8 Ų | 51.8 | 27% | 0.266 | 24% | 0.235 | S | C | . | . | trans | -86.6 | 65.8 | 176.6 | -65.9 | -170 | -16 | 0 | 0 | 110.2 | Y856 K859 K863 R864 A865 | Y856-Q861 HydrophobicContact CD1-CB 4.35Å; Y856-Q861 PolarHBondContact O-N 3.16Å; K859-Q861 HydrophobicContact CB-CG 4.22Å; K859-Q861 HydrophobicContact CD-CG 4.37Å; K859-Q861 HydrophobicContact CG-CG 4.05Å; K859-Q861 PolarHBondContact O-N 3.17Å; Q861-K863 VanDerWaalsContact C-N 3.29Å; Q861-K863 PolarHBondContact O-N 2.87Å; Q861-R864 HydrophobicContact CB-CB 4.28Å; Q861-R864 PolarHBondContact O-N 2.85Å; Q861-A865 PolarHBondContact O-N 3.49Å | ||
| 862 | W | 84.6 | Confident | 85.8 | Confident | 27 Ų | 27 | 50.6 Ų | 50.6 | 10% | 0.102 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56 | -37 | -170.9 | -51.6 | 111 | 0 | 0 | 0 | 114.1 | E857 K860 R864 A865 A866 W893 N897 L898 R1125 | E857-W862 HydrophobicContact CB-CZ3 4.17Å; E857-W862 HydrophobicContact CG-CZ3 4.13Å; K860-W862 VanDerWaalsContact C-N 3.27Å; K860-W862 HydrophobicContact CB-CZ2 3.83Å; K860-W862 HydrophobicContact CG-CZ2 3.93Å; K860-W862 PolarHBondContact O-N 2.87Å; K860-W862 VanDerWaalsContact O-N 3.09Å; K860-W862 PolarHBondContact O-NE1 3.02Å; W862-R864 VanDerWaalsContact C-N 3.33Å; W862-R864 PolarHBondContact O-N 2.71Å; W862-A865 PolarHBondContact O-N 3.13Å; W862-A866 VanDerWaalsContact O-CB 3.31Å; W862-A866 WeakPolarHBondContact O-CB 3.25Å; W862-A866 PolarHBondContact O-N 3.48Å; W862-W893 AromaticContact CZ3-CD1 3.97Å; W862-W893 AromaticContact CZ3-NE1 3.85Å; W862-N897 HydrophobicContact CD2-CB 3.57Å; W862-N897 HydrophobicContact CE3-CB 3.98Å; W862-N897 HydrophobicContact CG-CB 3.79Å; W862-L898 HydrophobicContact CB-CD1 4.28Å; W862-L898 HydrophobicContact CB-CD2 3.83Å; W862-L898 HydrophobicContact CB-CG 3.74Å; W862-R1125 VanDerWaalsContact CH2-NH2 3.26Å |
| 863 | K | 84.8 | Confident | 85.4 | Confident | 125 Ų | 125 | 51.9 Ų | 51.9 | 54% | 0.543 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.4 | -41.9 | 175.4 | -66.8 | -167.2 | 178.6 | -172.2 | 0 | 112 | Q861 S867 L898 | Q861-K863 VanDerWaalsContact C-N 3.29Å; Q861-K863 PolarHBondContact O-N 2.87Å; K863-S867 PolarHBondContact O-N 3.2Å; K863-S867 VanDerWaalsContact O-N 3.09Å; K863-S867 PolarHBondContact O-OG 3.48Å; K863-L898 HydrophobicContact CG-CD1 4.26Å; K863-L898 HydrophobicContact CG-CD2 3.55Å |
| 864 | R | 87.8 | Confident | 85 | Confident | 129 Ų | 129 | 53.8 Ų | 53.8 | 49% | 0.487 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -74.3 | -40 | 178.4 | -72.2 | -175.2 | 178.9 | 172.3 | -8.2 | 111.9 | Y856 Q861 W862 A866 S867 T868 | Y856-R864 HydrophobicContact CD1-CB 3.99Å; Y856-R864 HydrophobicContact CD2-CB 3.94Å; Y856-R864 HydrophobicContact CE1-CB 4.2Å; Y856-R864 HydrophobicContact CE2-CB 4.12Å; Y856-R864 HydrophobicContact CG-CB 3.89Å; Q861-R864 HydrophobicContact CB-CB 4.28Å; Q861-R864 PolarHBondContact O-N 2.85Å; W862-R864 VanDerWaalsContact C-N 3.33Å; W862-R864 PolarHBondContact O-N 2.71Å; R864-A866 VanDerWaalsContact C-N 3.34Å; R864-A866 PolarHBondContact O-N 3.4Å; R864-S867 WeakPolarHBondContact CA-OG 3.21Å; R864-S867 PolarHBondContact O-N 3.13Å; R864-S867 PolarHBondContact O-OG 2.95Å; R864-T868 PolarHBondContact O-N 3.27Å; R864-T868 PolarHBondContact O-OG1 3.32Å |
| 865 | A | 87.5 | Confident | 84.3 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.8 | -47.3 | 173 | 0 | 0 | 0 | 0 | 0 | 110.9 | E857 Q861 W862 S867 T868 Y869 A894 | E857-A865 HydrophobicContact CG-CB 4.03Å; Q861-A865 PolarHBondContact O-N 3.49Å; W862-A865 PolarHBondContact O-N 3.13Å; A865-S867 PolarHBondContact O-N 3.34Å; A865-T868 WeakPolarHBondContact CA-OG1 3.32Å; A865-T868 PolarHBondContact O-N 3.24Å; A865-T868 PolarHBondContact O-OG1 2.97Å; A865-Y869 HydrophobicContact CB-CE2 4.37Å; A865-Y869 WeakPolarHBondContact O-CD2 2.89Å; A865-Y869 PolarHBondContact O-N 3.06Å; A865-A894 HydrophobicContact CB-CB 4.23Å |
| 866 | A | 87.2 | Confident | 83.1 | Confident | 3 Ų | 3 | 54.7 Ų | 54.7 | 3% | 0.025 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.5 | -43.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | W862 R864 T868 Y869 R870 L891 A894 L898 | W862-A866 VanDerWaalsContact O-CB 3.31Å; W862-A866 WeakPolarHBondContact O-CB 3.25Å; W862-A866 PolarHBondContact O-N 3.48Å; R864-A866 VanDerWaalsContact C-N 3.34Å; R864-A866 PolarHBondContact O-N 3.4Å; A866-T868 PolarHBondContact O-N 3.01Å; A866-Y869 PolarHBondContact O-N 3.16Å; A866-R870 WeakPolarHBondContact O-CG 3.46Å; A866-R870 PolarHBondContact O-N 3.17Å; A866-L891 HydrophobicContact CB-CD1 3.87Å; A866-L891 WeakPolarHBondContact O-CD1 3.37Å; A866-A894 HydrophobicContact CB-CB 3.9Å; A866-L898 HydrophobicContact CB-CD1 4.3Å |
| 867 | S | 89.5 | Confident | 81.5 | Confident | 52 Ų | 52 | 56.5 Ų | 56.5 | 36% | 0.364 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.3 | -40 | 175.6 | 58.6 | 0 | 0 | 0 | 0 | 112.7 | K863 R864 A865 R870 E871 | K863-S867 PolarHBondContact O-N 3.2Å; K863-S867 VanDerWaalsContact O-N 3.09Å; K863-S867 PolarHBondContact O-OG 3.48Å; R864-S867 WeakPolarHBondContact CA-OG 3.21Å; R864-S867 PolarHBondContact O-N 3.13Å; R864-S867 PolarHBondContact O-OG 2.95Å; A865-S867 PolarHBondContact O-N 3.34Å; S867-R870 PolarHBondContact O-N 3.31Å; S867-E871 PolarHBondContact O-N 2.96Å |
| 868 | T | 88.4 | Confident | 79.8 | Confident | 6 Ų | 6 | 59.2 Ų | 59.2 | 4% | 0.037 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.5 | -38.5 | 177.7 | 45.4 | 0 | 0 | 0 | 0 | 112.3 | L852 A853 Y856 R864 A865 A866 R870 E871 I872 | L852-T868 HydrophobicContact CD2-CG2 4.06Å; L852-T868 HydrophobicContact CG-CG2 4.44Å; A853-T868 WeakPolarHBondContact CB-OG1 3.19Å; Y856-T868 HydrophobicContact CD2-CG2 3.81Å; Y856-T868 HydrophobicContact CE2-CG2 3.64Å; R864-T868 PolarHBondContact O-N 3.27Å; R864-T868 PolarHBondContact O-OG1 3.32Å; A865-T868 WeakPolarHBondContact CA-OG1 3.32Å; A865-T868 PolarHBondContact O-N 3.24Å; A865-T868 PolarHBondContact O-OG1 2.97Å; A866-T868 PolarHBondContact O-N 3.01Å; T868-R870 VanDerWaalsContact C-N 3.33Å; T868-R870 PolarHBondContact O-N 3.3Å; T868-E871 WeakPolarHBondContact O-CB 2.99Å; T868-E871 PolarHBondContact O-N 3.13Å; T868-I872 WeakPolarHBondContact O-CG1 3.35Å; T868-I872 PolarHBondContact O-N 3Å |
| 869 | Y | 89 | Confident | 78.4 | Confident | 13 Ų | 13 | 54.4 Ų | 54.4 | 5% | 0.051 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.6 | -35.1 | 175 | -73.5 | -62.4 | 0 | 0 | 0 | 112.5 | F850 A853 E857 A865 A866 I872 L873 G890 L891 | F850-Y869 HydrophobicContact CD1-CE1 4.06Å; F850-Y869 HydrophobicContact CE1-CD1 4.47Å; F850-Y869 HydrophobicContact CE1-CE1 4.01Å; A853-Y869 HydrophobicContact CB-CD1 4.16Å; A853-Y869 HydrophobicContact CB-CD2 4.29Å; A853-Y869 HydrophobicContact CB-CE1 3.71Å; A853-Y869 HydrophobicContact CB-CE2 3.86Å; A853-Y869 HydrophobicContact CB-CG 4.4Å; E857-Y869 VanDerWaalsContact CD-OH 3.25Å; E857-Y869 HydrophobicContact CG-CE2 4.29Å; E857-Y869 WeakPolarHBondContact OE1-CE2 3.49Å; E857-Y869 PolarHBondContact OE1-OH 3.37Å; A865-Y869 HydrophobicContact CB-CE2 4.37Å; A865-Y869 WeakPolarHBondContact O-CD2 2.89Å; A865-Y869 PolarHBondContact O-N 3.06Å; A866-Y869 PolarHBondContact O-N 3.16Å; Y869-I872 HydrophobicContact CD1-CD1 3.81Å; Y869-I872 HydrophobicContact CE1-CD1 4.25Å; Y869-I872 WeakPolarHBondContact O-CB 3.24Å; Y869-I872 PolarHBondContact O-N 2.96Å; Y869-L873 WeakPolarHBondContact O-CG 3.45Å; Y869-L873 PolarHBondContact O-N 3.09Å; Y869-G890 WeakPolarHBondContact CD2-O 3.41Å; Y869-G890 VanDerWaalsContact CE2-C 3.45Å; Y869-G890 WeakPolarHBondContact CE2-O 3.47Å; Y869-L891 HydrophobicContact CG-CB 4.41Å |
| 870 | R | 86.5 | Confident | 76.8 | Confident | 139 Ų | 139 | 60.4 Ų | 60.4 | 53% | 0.525 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64 | -39 | 169.9 | -71.3 | 178.1 | -171.9 | 158.3 | -0.9 | 112.4 | A866 S867 T868 I872 L873 A874 L891 | A866-R870 WeakPolarHBondContact O-CG 3.46Å; A866-R870 PolarHBondContact O-N 3.17Å; S867-R870 PolarHBondContact O-N 3.31Å; T868-R870 VanDerWaalsContact C-N 3.33Å; T868-R870 PolarHBondContact O-N 3.3Å; R870-I872 VanDerWaalsContact C-N 3.3Å; R870-I872 PolarHBondContact O-N 3.11Å; R870-L873 PolarHBondContact O-N 3.49Å; R870-A874 WeakPolarHBondContact O-CB 3.26Å; R870-A874 PolarHBondContact O-N 3.26Å; R870-L891 HydrophobicContact CG-CD1 3.94Å; R870-L891 HydrophobicContact CG-CD2 3.73Å |
| 871 | E | 85.1 | Confident | 75.4 | Confident | 88 Ų | 88 | 57.2 Ų | 57.2 | 41% | 0.411 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.2 | -38.3 | 172.4 | -76.1 | -174.4 | -149.5 | 0 | 0 | 111.8 | K834 L849 S867 T868 A874 | K834-E871 IonicContact NZ-OE2 3.89Å; L849-E871 HydrophobicContact CD1-CB 4.09Å; L849-E871 HydrophobicContact CD2-CB 4.44Å; S867-E871 PolarHBondContact O-N 2.96Å; T868-E871 WeakPolarHBondContact O-CB 2.99Å; T868-E871 PolarHBondContact O-N 3.13Å; E871-A874 PolarHBondContact O-N 3.25Å |
| 872 | I | 83.7 | Confident | 74 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.4 | -48.4 | 175.5 | -65.3 | 166.3 | 0 | 0 | 0 | 110.7 | E846 L849 F850 T868 Y869 R870 A874 V875 A887 | E846-I872 HydrophobicContact CG-CG2 4.17Å; L849-I872 HydrophobicContact CB-CD1 3.91Å; L849-I872 HydrophobicContact CB-CG1 3.41Å; L849-I872 VanDerWaalsContact CB-CG1 3.41Å; L849-I872 HydrophobicContact CD1-CG1 4.07Å; L849-I872 HydrophobicContact CG-CG1 4.38Å; F850-I872 HydrophobicContact CB-CD1 4.36Å; F850-I872 HydrophobicContact CD1-CD1 3.93Å; F850-I872 HydrophobicContact CD2-CD1 3.94Å; F850-I872 HydrophobicContact CD2-CG2 4.19Å; F850-I872 HydrophobicContact CE1-CD1 4.19Å; F850-I872 HydrophobicContact CE2-CD1 4.2Å; F850-I872 HydrophobicContact CE2-CG2 3.59Å; F850-I872 HydrophobicContact CG-CD1 3.8Å; F850-I872 HydrophobicContact CZ-CD1 4.33Å; F850-I872 HydrophobicContact CZ-CG2 3.93Å; T868-I872 WeakPolarHBondContact O-CG1 3.35Å; T868-I872 PolarHBondContact O-N 3Å; Y869-I872 HydrophobicContact CD1-CD1 3.81Å; Y869-I872 HydrophobicContact CE1-CD1 4.25Å; Y869-I872 WeakPolarHBondContact O-CB 3.24Å; Y869-I872 PolarHBondContact O-N 2.96Å; R870-I872 VanDerWaalsContact C-N 3.3Å; R870-I872 PolarHBondContact O-N 3.11Å; I872-A874 PolarHBondContact O-N 3.25Å; I872-V875 WeakPolarHBondContact O-CB 3.19Å; I872-V875 PolarHBondContact O-N 3.2Å; I872-V875 VanDerWaalsContact O-N 3.17Å; I872-A887 HydrophobicContact CB-CB 4.43Å; I872-A887 HydrophobicContact CG2-CB 3.74Å |
| 873 | L | 80.2 | Confident | 73.1 | Confident | 34 Ų | 34 | 61.9 Ų | 61.9 | 18% | 0.178 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -69.1 | -13.4 | 178.8 | -68.1 | 172.3 | 0 | 0 | 0 | 113.6 | Y869 R870 V884 A887 L891 | Y869-L873 WeakPolarHBondContact O-CG 3.45Å; Y869-L873 PolarHBondContact O-N 3.09Å; R870-L873 PolarHBondContact O-N 3.49Å; L873-V884 HydrophobicContact CD2-CG1 3.99Å; L873-A887 HydrophobicContact CD2-CB 3.66Å; L873-A887 HydrophobicContact CG-CB 3.96Å; L873-L891 HydrophobicContact CD1-CD2 3.66Å |
| 874 | A | 78.9 | Confident | 72.7 | Confident | 40 Ų | 40 | 58.1 Ų | 58.1 | 33% | 0.331 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -6.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114 | R870 E871 I872 N1346 | R870-A874 WeakPolarHBondContact O-CB 3.26Å; R870-A874 PolarHBondContact O-N 3.26Å; E871-A874 PolarHBondContact O-N 3.25Å; I872-A874 PolarHBondContact O-N 3.25Å; A874-N1346 VanDerWaalsContact CA-OD1 3.3Å; A874-N1346 WeakPolarHBondContact CA-OD1 3.31Å |
| 875 | V | 70.6 | Confident | 72.2 | Confident | 17 Ų | 17 | 52.4 Ų | 52.4 | 10% | 0.103 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -73.7 | 132.7 | 175.1 | -177.3 | 0 | 0 | 0 | 0 | 109.4 | L842 L845 I872 | L842-V875 HydrophobicContact CD2-CG1 4.23Å; L845-V875 HydrophobicContact CD2-CG2 4.48Å; I872-V875 WeakPolarHBondContact O-CB 3.19Å; I872-V875 PolarHBondContact O-N 3.2Å; I872-V875 VanDerWaalsContact O-N 3.17Å |
| 876 | P | 60.7 | Low | 71.9 | Confident | 52 Ų | 52 | 56.3 Ų | 56.3 | 34% | 0.338 | 30% | 0.3 | S | S | . | . | trans | -59.1 | 140.3 | -174.5 | -23.2 | 31.9 | 0 | 0 | 0 | 113.8 | S878 | P876-S878 PolarHBondContact O-N 3.2Å; P876-S878 VanDerWaalsContact O-N 3.08Å | ||
| 877 | P | 52.5 | Low | 71.7 | Confident | 58 Ų | 58 | 56.2 Ų | 56.2 | 38% | 0.377 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | 2.5 | -176.5 | 30.7 | -36.8 | 0 | 0 | 0 | 114.9 | I879 D1348 | P877-I879 CarbonylContact O-C 3.56Å; P877-I879 PolarHBondContact O-N 3.48Å; P877-D1348 WeakPolarHBondContact CD-OD2 3.4Å; P877-D1348 HydrophobicContact CG-CB 3.36Å |
| 878 | S | 48.2 | Very low | 71.6 | Confident | 100 Ų | 100 | 55.4 Ų | 55.4 | 70% | 0.699 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -17.8 | 176.2 | 53.1 | 0 | 0 | 0 | 0 | 113.1 | P876 | P876-S878 PolarHBondContact O-N 3.2Å; P876-S878 VanDerWaalsContact O-N 3.08Å |
| 879 | I | 51.4 | Low | 71.6 | Confident | 27 Ų | 27 | 58 Ų | 58 | 14% | 0.138 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -102 | 113 | 166.8 | -63.5 | 157.4 | 0 | 0 | 0 | 105.4 | L842 V843 P877 L881 | L842-I879 HydrophobicContact CB-CD1 3.25Å; L842-I879 HydrophobicContact CD1-CD1 3.89Å; L842-I879 HydrophobicContact CG-CD1 4.21Å; V843-I879 HydrophobicContact CG2-CD1 3.93Å; V843-I879 HydrophobicContact CG2-CG1 4.4Å; V843-I879 HydrophobicContact CG2-CG2 3.98Å; P877-I879 CarbonylContact O-C 3.56Å; P877-I879 PolarHBondContact O-N 3.48Å; I879-L881 VanDerWaalsContact C-N 3.27Å; I879-L881 PolarHBondContact O-N 3.21Å |
| 880 | K | 50.8 | Low | 71.4 | Confident | 201 Ų | 201 | 57.5 Ų | 57.5 | 87% | 0.874 | 30% | 0.297 | S | S | * | . | trans | -59.4 | 92.6 | 176.2 | -78.9 | -179.9 | 175.4 | 175.4 | 0 | 109.3 | E882 | K880-E882 PolarHBondContact O-N 3.02Å; K880-E882 VanDerWaalsContact O-N 3.1Å | ||
| 881 | L | 51.2 | Low | 71.6 | Confident | 32 Ų | 32 | 51 Ų | 51 | 17% | 0.168 | 27% | 0.273 | C | S | . | . | trans | -62.2 | 106.1 | 176.2 | -82.7 | 120.8 | 0 | 0 | 0 | 108.6 | E846 I879 N883 V884 | E846-L881 HydrophobicContact CG-CD2 3.95Å; E846-L881 VanDerWaalsContact OE1-CD2 3.3Å; E846-L881 WeakPolarHBondContact OE1-CD2 3.44Å; E846-L881 WeakPolarHBondContact OE2-CD2 3.49Å; I879-L881 VanDerWaalsContact C-N 3.27Å; I879-L881 PolarHBondContact O-N 3.21Å; L881-N883 PolarHBondContact O-N 3.45Å; L881-V884 HydrophobicContact CB-CB 4.35Å; L881-V884 HydrophobicContact CB-CG2 3.14Å; L881-V884 HydrophobicContact CD1-CG2 3.96Å; L881-V884 HydrophobicContact CD2-CG2 4.18Å; L881-V884 HydrophobicContact CG-CG2 3.96Å | ||
| 882 | E | 56.5 | Low | 71.8 | Confident | 138 Ų | 138 | 46.8 Ų | 46.8 | 65% | 0.645 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -13.1 | 163.1 | -68.8 | -168.5 | 144.7 | 0 | 0 | 111.1 | R620 K880 | R620-E882 IonicContact CZ-OE1 3.51Å; R620-E882 IonicContact NH1-OE1 3.64Å; R620-E882 PolarHBondContact NH1-OE1 3.49Å; R620-E882 IonicContact NH2-OE1 2.66Å; R620-E882 PolarHBondContact NH2-OE1 3.49Å; K880-E882 PolarHBondContact O-N 3.02Å; K880-E882 VanDerWaalsContact O-N 3.1Å |
| 883 | N | 65 | Low | 72 | Confident | 45 Ų | 45 | 50.1 Ų | 50.1 | 24% | 0.241 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | 5.7 | -172 | -54.9 | -39.7 | 0 | 0 | 0 | 115.5 | E846 F850 L881 G885 L886 A887 | E846-N883 WeakPolarHBondContact OE1-CB 3.5Å; E846-N883 PolarHBondContact OE1-ND2 3.41Å; F850-N883 HydrophobicContact CE2-CB 3.55Å; F850-N883 HydrophobicContact CZ-CB 3.61Å; L881-N883 PolarHBondContact O-N 3.45Å; N883-G885 PolarHBondContact O-N 2.92Å; N883-L886 HydrophobicContact CB-CB 4.41Å; N883-L886 HydrophobicContact CB-CD1 4.41Å; N883-L886 WeakPolarHBondContact O-CA 3.4Å; N883-L886 WeakPolarHBondContact O-CB 2.86Å; N883-L886 PolarHBondContact O-N 3.2Å; N883-A887 PolarHBondContact O-N 3.46Å |
| 884 | V | 76.1 | Confident | 72.4 | Confident | 46 Ų | 46 | 48.5 Ų | 48.5 | 28% | 0.279 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -55.3 | -43.6 | 179.8 | -168.2 | 0 | 0 | 0 | 0 | 110.7 | L873 L881 L886 A887 H888 | L873-V884 HydrophobicContact CD2-CG1 3.99Å; L881-V884 HydrophobicContact CB-CB 4.35Å; L881-V884 HydrophobicContact CB-CG2 3.14Å; L881-V884 HydrophobicContact CD1-CG2 3.96Å; L881-V884 HydrophobicContact CD2-CG2 4.18Å; L881-V884 HydrophobicContact CG-CG2 3.96Å; V884-L886 VanDerWaalsContact C-N 3.32Å; V884-L886 PolarHBondContact O-N 3.47Å; V884-A887 PolarHBondContact O-N 3.46Å; V884-A887 VanDerWaalsContact O-N 3.17Å; V884-H888 PolarHBondContact O-CD2 3.07Å; V884-H888 PolarHBondContact O-N 3.29Å |
| 885 | G | 76.9 | Confident | 72.8 | Confident | 8 Ų | 8 | 46.9 Ų | 46.9 | 8% | 0.082 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61 | -38.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | N883 Y889 C911 S914 | N883-G885 PolarHBondContact O-N 2.92Å; G885-Y889 VanDerWaalsContact O-CB 3.32Å; G885-Y889 WeakPolarHBondContact O-CB 3.49Å; G885-Y889 PolarHBondContact O-N 3.32Å; G885-C911 PolarHBondContact O-SG 2.93Å; G885-S914 WeakPolarHBondContact CA-OG 3.37Å |
| 886 | L | 80.6 | Confident | 73.5 | Confident | 83 Ų | 83 | 47.1 Ų | 47.1 | 44% | 0.435 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -68.6 | -35.3 | 175.6 | -67.8 | 173.4 | 0 | 0 | 0 | 112.1 | F850 N883 V884 Y889 G890 F922 | F850-L886 HydrophobicContact CE1-CB 4.15Å; F850-L886 HydrophobicContact CZ-CB 4.28Å; N883-L886 HydrophobicContact CB-CB 4.41Å; N883-L886 HydrophobicContact CB-CD1 4.41Å; N883-L886 WeakPolarHBondContact O-CA 3.4Å; N883-L886 WeakPolarHBondContact O-CB 2.86Å; N883-L886 PolarHBondContact O-N 3.2Å; V884-L886 VanDerWaalsContact C-N 3.32Å; V884-L886 PolarHBondContact O-N 3.47Å; L886-Y889 PolarHBondContact O-N 3.47Å; L886-G890 PolarHBondContact O-N 3.36Å; L886-F922 HydrophobicContact CD2-CZ 4.27Å |
| 887 | A | 83.5 | Confident | 74.3 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.4 | -46.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F850 I872 L873 N883 V884 Y889 G890 L891 | F850-A887 HydrophobicContact CE1-CB 4.23Å; F850-A887 HydrophobicContact CZ-CB 3.7Å; I872-A887 HydrophobicContact CB-CB 4.43Å; I872-A887 HydrophobicContact CG2-CB 3.74Å; L873-A887 HydrophobicContact CD2-CB 3.66Å; L873-A887 HydrophobicContact CG-CB 3.96Å; N883-A887 PolarHBondContact O-N 3.46Å; V884-A887 PolarHBondContact O-N 3.46Å; V884-A887 VanDerWaalsContact O-N 3.17Å; A887-Y889 VanDerWaalsContact C-N 3.33Å; A887-Y889 PolarHBondContact O-N 3.11Å; A887-G890 PolarHBondContact O-N 2.91Å; A887-L891 WeakPolarHBondContact O-CB 3.36Å; A887-L891 PolarHBondContact O-N 3.11Å |
| 888 | H | 87.6 | Confident | 75.6 | Confident | 36 Ų | 36 | 45.6 Ų | 45.6 | 17% | 0.167 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.4 | -40.9 | 173.4 | -77.7 | -58.9 | 0 | 0 | 0 | 111.9 | V884 L891 G892 E907 C911 | V884-H888 PolarHBondContact O-CD2 3.07Å; V884-H888 PolarHBondContact O-N 3.29Å; H888-L891 PolarHBondContact O-N 3.13Å; H888-G892 PolarHBondContact O-N 3.09Å; H888-E907 IonicContact CE1-OE2 2.85Å; H888-E907 IonicContact CG-OE2 3.22Å; H888-E907 IonicContact ND1-OE2 2.85Å; H888-E907 PolarHBondContact ND1-OE2 3.42Å; H888-C911 HydrophobicContact CB-CB 3.87Å |
| 889 | Y | 88.5 | Confident | 76.8 | Confident | 61 Ų | 61 | 42.2 Ų | 42.2 | 24% | 0.239 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.3 | -48.7 | 174.4 | 177.7 | -94.6 | 0 | 0 | 0 | 112 | G885 L886 A887 G892 W893 F908 F922 I926 L929 | G885-Y889 VanDerWaalsContact O-CB 3.32Å; G885-Y889 WeakPolarHBondContact O-CB 3.49Å; G885-Y889 PolarHBondContact O-N 3.32Å; L886-Y889 PolarHBondContact O-N 3.47Å; A887-Y889 VanDerWaalsContact C-N 3.33Å; A887-Y889 PolarHBondContact O-N 3.11Å; Y889-G892 PolarHBondContact O-N 2.77Å; Y889-W893 VanDerWaalsContact O-CB 3.27Å; Y889-W893 WeakPolarHBondContact O-CB 3.37Å; Y889-W893 PolarHBondContact O-N 3.07Å; Y889-F908 HydrophobicContact CD2-CD1 4.47Å; Y889-F908 HydrophobicContact CD2-CE1 4.19Å; Y889-F908 HydrophobicContact CE2-CE1 4.45Å; Y889-F922 HydrophobicContact CD1-CZ 4.35Å; Y889-F922 AromaticContact CD2-CE1 3.91Å; Y889-F922 HydrophobicContact CD2-CE1 3.91Å; Y889-F922 AromaticContact CD2-CZ 3.9Å; Y889-F922 HydrophobicContact CD2-CZ 3.9Å; Y889-F922 HydrophobicContact CE2-CE1 4.43Å; Y889-F922 HydrophobicContact CE2-CZ 4.17Å; Y889-F922 HydrophobicContact CG-CE1 4.22Å; Y889-F922 AromaticContact CG-CZ 3.99Å; Y889-F922 HydrophobicContact CG-CZ 3.99Å; Y889-I926 HydrophobicContact CD2-CG1 4.38Å; Y889-L929 HydrophobicContact CE2-CD1 3.73Å |
| 890 | G | 86 | Confident | 78.2 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.1 | -40.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y869 L886 A887 W893 A894 | Y869-G890 WeakPolarHBondContact CD2-O 3.41Å; Y869-G890 VanDerWaalsContact CE2-C 3.45Å; Y869-G890 WeakPolarHBondContact CE2-O 3.47Å; L886-G890 PolarHBondContact O-N 3.36Å; A887-G890 PolarHBondContact O-N 2.91Å; G890-W893 PolarHBondContact O-N 3.29Å; G890-A894 WeakPolarHBondContact O-CB 3.36Å; G890-A894 PolarHBondContact O-N 2.96Å |
| 891 | L | 90.3 | Very high | 79.7 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.8 | -48.8 | 174.4 | -175.5 | 51.7 | 0 | 0 | 0 | 111.4 | A866 Y869 R870 L873 A887 H888 W893 A894 L895 E907 | A866-L891 HydrophobicContact CB-CD1 3.87Å; A866-L891 WeakPolarHBondContact O-CD1 3.37Å; Y869-L891 HydrophobicContact CG-CB 4.41Å; R870-L891 HydrophobicContact CG-CD1 3.94Å; R870-L891 HydrophobicContact CG-CD2 3.73Å; L873-L891 HydrophobicContact CD1-CD2 3.66Å; A887-L891 WeakPolarHBondContact O-CB 3.36Å; A887-L891 PolarHBondContact O-N 3.11Å; H888-L891 PolarHBondContact O-N 3.13Å; L891-W893 VanDerWaalsContact C-N 3.29Å; L891-W893 PolarHBondContact O-N 2.89Å; L891-A894 PolarHBondContact O-N 2.6Å; L891-L895 HydrophobicContact CD1-CD1 4.03Å; L891-L895 HydrophobicContact CD1-CG 4.11Å; L891-L895 HydrophobicContact CG-CD1 3.93Å; L891-L895 HydrophobicContact CG-CG 4.46Å; L891-L895 WeakPolarHBondContact O-CB 3.45Å; L891-L895 VanDerWaalsContact O-CG 3.26Å; L891-L895 WeakPolarHBondContact O-CG 3.37Å; L891-L895 PolarHBondContact O-N 3.4Å; L891-E907 HydrophobicContact CB-CG 4.47Å; L891-E907 VanDerWaalsContact CD2-CD 3.44Å; L891-E907 HydrophobicContact CD2-CG 4.07Å; L891-E907 WeakPolarHBondContact CD2-OE1 3.46Å; L891-E907 HydrophobicContact CG-CG 3.98Å |
| 892 | G | 88.7 | Confident | 81.2 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.1 | -41.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | H888 Y889 L895 F896 A904 F908 | H888-G892 PolarHBondContact O-N 3.09Å; Y889-G892 PolarHBondContact O-N 2.77Å; G892-L895 PolarHBondContact O-N 3.18Å; G892-F896 WeakPolarHBondContact O-CB 3.37Å; G892-F896 PolarHBondContact O-N 3.31Å; G892-A904 WeakPolarHBondContact O-CB 3.43Å; G892-F908 WeakPolarHBondContact O-CZ 3.24Å |
| 893 | W | 89 | Confident | 82.6 | Confident | 72 Ų | 72 | 32.2 Ų | 32.2 | 27% | 0.273 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -65.9 | -43 | 176 | -176.4 | -115.4 | 0 | 0 | 0 | 112.6 | W862 Y889 G890 L891 F896 N897 L929 | W862-W893 AromaticContact CZ3-CD1 3.97Å; W862-W893 AromaticContact CZ3-NE1 3.85Å; Y889-W893 VanDerWaalsContact O-CB 3.27Å; Y889-W893 WeakPolarHBondContact O-CB 3.37Å; Y889-W893 PolarHBondContact O-N 3.07Å; G890-W893 PolarHBondContact O-N 3.29Å; L891-W893 VanDerWaalsContact C-N 3.29Å; L891-W893 PolarHBondContact O-N 2.89Å; W893-F896 HydrophobicContact CE3-CD1 4.24Å; W893-F896 AromaticContact CZ3-CD1 3.98Å; W893-F896 HydrophobicContact CZ3-CD1 3.98Å; W893-F896 HydrophobicContact CZ3-CE1 4.29Å; W893-F896 PolarHBondContact O-N 3.23Å; W893-N897 PolarHBondContact NE1-ND2 3.43Å; W893-N897 PolarHBondContact O-N 3.42Å; W893-N897 PolarHBondContact O-ND2 2.86Å; W893-L929 HydrophobicContact CE3-CD2 4.14Å; W893-L929 HydrophobicContact CZ3-CD2 3.78Å |
| 894 | A | 87.1 | Confident | 83.5 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64 | -41.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A865 A866 G890 L891 N897 L898 | A865-A894 HydrophobicContact CB-CB 4.23Å; A866-A894 HydrophobicContact CB-CB 3.9Å; G890-A894 WeakPolarHBondContact O-CB 3.36Å; G890-A894 PolarHBondContact O-N 2.96Å; L891-A894 PolarHBondContact O-N 2.6Å; A894-N897 PolarHBondContact O-N 3.06Å; A894-L898 VanDerWaalsContact O-CG 3.26Å; A894-L898 WeakPolarHBondContact O-CG 3.43Å; A894-L898 PolarHBondContact O-N 3.33Å; A894-L898 VanDerWaalsContact O-N 3.09Å |
| 895 | L | 87.8 | Confident | 84 | Confident | 6 Ų | 6 | 29.6 Ų | 29.6 | 3% | 0.031 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68 | -38.7 | 176.3 | -69.2 | 170.9 | 0 | 0 | 0 | 112.5 | L891 G892 N897 L898 G899 N900 A904 E907 | L891-L895 HydrophobicContact CD1-CD1 4.03Å; L891-L895 HydrophobicContact CD1-CG 4.11Å; L891-L895 HydrophobicContact CG-CD1 3.93Å; L891-L895 HydrophobicContact CG-CG 4.46Å; L891-L895 WeakPolarHBondContact O-CB 3.45Å; L891-L895 VanDerWaalsContact O-CG 3.26Å; L891-L895 WeakPolarHBondContact O-CG 3.37Å; L891-L895 PolarHBondContact O-N 3.4Å; G892-L895 PolarHBondContact O-N 3.18Å; L895-N897 PolarHBondContact O-N 2.67Å; L895-L898 HydrophobicContact CD2-CD1 4.49Å; L895-L898 CarbonylContact O-C 3.51Å; L895-L898 WeakPolarHBondContact O-CA 3.42Å; L895-L898 WeakPolarHBondContact O-CB 3.47Å; L895-L898 PolarHBondContact O-N 2.91Å; L895-L898 VanDerWaalsContact O-N 3.09Å; L895-G899 PolarHBondContact O-N 2.81Å; L895-G899 VanDerWaalsContact O-N 3.14Å; L895-N900 PolarHBondContact O-N 2.8Å; L895-A904 HydrophobicContact CB-CB 3.89Å; L895-E907 HydrophobicContact CD1-CG 3.92Å |
| 896 | F | 84.7 | Confident | 84.6 | Confident | 21 Ų | 21 | 34.1 Ų | 34.1 | 9% | 0.092 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.3 | -46.1 | 174 | -179 | -92.5 | 0 | 0 | 0 | 111.1 | G892 W893 L898 G899 F901 A904 F908 Y932 | G892-F896 WeakPolarHBondContact O-CB 3.37Å; G892-F896 PolarHBondContact O-N 3.31Å; W893-F896 HydrophobicContact CE3-CD1 4.24Å; W893-F896 AromaticContact CZ3-CD1 3.98Å; W893-F896 HydrophobicContact CZ3-CD1 3.98Å; W893-F896 HydrophobicContact CZ3-CE1 4.29Å; W893-F896 PolarHBondContact O-N 3.23Å; F896-L898 PolarHBondContact O-N 3.29Å; F896-G899 PolarHBondContact O-N 3.37Å; F896-G899 VanDerWaalsContact O-N 3.08Å; F896-F901 AromaticContact CD2-CD1 3.96Å; F896-F901 HydrophobicContact CD2-CD1 3.96Å; F896-F901 AromaticContact CD2-CE1 3.96Å; F896-F901 HydrophobicContact CD2-CE1 3.96Å; F896-F901 HydrophobicContact CE2-CD1 4.07Å; F896-F901 AromaticContact CE2-CE1 3.81Å; F896-F901 HydrophobicContact CE2-CE1 3.81Å; F896-F901 HydrophobicContact CZ-CE1 4.43Å; F896-A904 HydrophobicContact CB-CB 4.15Å; F896-F908 HydrophobicContact CB-CE2 4.21Å; F896-F908 HydrophobicContact CB-CZ 4.35Å; F896-F908 HydrophobicContact CD2-CE2 4.47Å; F896-Y932 HydrophobicContact CZ-CD2 4.49Å |
| 897 | N | 78 | Confident | 85 | Confident | 25 Ų | 25 | 32 Ų | 32 | 13% | 0.134 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -70.8 | -18.4 | 176 | -74.6 | -87 | 0 | 0 | 0 | 113.4 | W862 W893 A894 L895 G899 R1125 | W862-N897 HydrophobicContact CD2-CB 3.57Å; W862-N897 HydrophobicContact CE3-CB 3.98Å; W862-N897 HydrophobicContact CG-CB 3.79Å; W893-N897 PolarHBondContact NE1-ND2 3.43Å; W893-N897 PolarHBondContact O-N 3.42Å; W893-N897 PolarHBondContact O-ND2 2.86Å; A894-N897 PolarHBondContact O-N 3.06Å; L895-N897 PolarHBondContact O-N 2.67Å; N897-G899 VanDerWaalsContact C-N 3.33Å; N897-R1125 PolarHBondContact OD1-NE 2.93Å; N897-R1125 VanDerWaalsContact OD1-NE 3.12Å; N897-R1125 PolarHBondContact OD1-NH2 3.42Å |
| 898 | L | 80.2 | Confident | 85.3 | Confident | 54 Ų | 54 | 32 Ų | 32 | 28% | 0.283 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -6.2 | 170.8 | -71.4 | 167.8 | 0 | 0 | 0 | 113.1 | W862 K863 A866 A894 L895 F896 N900 | W862-L898 HydrophobicContact CB-CD1 4.28Å; W862-L898 HydrophobicContact CB-CD2 3.83Å; W862-L898 HydrophobicContact CB-CG 3.74Å; K863-L898 HydrophobicContact CG-CD1 4.26Å; K863-L898 HydrophobicContact CG-CD2 3.55Å; A866-L898 HydrophobicContact CB-CD1 4.3Å; A894-L898 VanDerWaalsContact O-CG 3.26Å; A894-L898 WeakPolarHBondContact O-CG 3.43Å; A894-L898 PolarHBondContact O-N 3.33Å; A894-L898 VanDerWaalsContact O-N 3.09Å; L895-L898 HydrophobicContact CD2-CD1 4.49Å; L895-L898 CarbonylContact O-C 3.51Å; L895-L898 WeakPolarHBondContact O-CA 3.42Å; L895-L898 WeakPolarHBondContact O-CB 3.47Å; L895-L898 PolarHBondContact O-N 2.91Å; L895-L898 VanDerWaalsContact O-N 3.09Å; F896-L898 PolarHBondContact O-N 3.29Å; L898-N900 VanDerWaalsContact C-N 3.34Å |
| 899 | G | 72.6 | Confident | 85.3 | Confident | 29 Ų | 29 | 33.1 Ų | 33.1 | 30% | 0.299 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 8.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L895 F896 N897 F901 | L895-G899 PolarHBondContact O-N 2.81Å; L895-G899 VanDerWaalsContact O-N 3.14Å; F896-G899 PolarHBondContact O-N 3.37Å; F896-G899 VanDerWaalsContact O-N 3.08Å; N897-G899 VanDerWaalsContact C-N 3.33Å; G899-F901 WeakPolarHBondContact O-CD2 3.44Å; G899-F901 PolarHBondContact O-N 3.03Å |
| 900 | N | 82.1 | Confident | 85.2 | Confident | 62 Ų | 62 | 31.4 Ų | 31.4 | 33% | 0.332 | 18% | 0.177 | S | C | . | . | trans | -89.3 | 76.6 | 176.4 | -174.2 | -4 | 0 | 0 | 0 | 110.3 | L895 L898 S903 A904 | L895-N900 PolarHBondContact O-N 2.8Å; L898-N900 VanDerWaalsContact C-N 3.34Å; N900-S903 WeakPolarHBondContact ND2-CB 3.42Å; N900-S903 PolarHBondContact ND2-OG 2.9Å; N900-S903 PolarHBondContact OD1-N 3.45Å; N900-S903 PolarHBondContact OD1-OG 2.97Å; N900-A904 VanDerWaalsContact O-CB 3.25Å; N900-A904 WeakPolarHBondContact O-CB 3.42Å; N900-A904 PolarHBondContact O-N 2.99Å | ||
| 901 | F | 81.6 | Confident | 85.2 | Confident | 29 Ų | 29 | 31.4 Ų | 31.4 | 13% | 0.127 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.9 | -39.1 | -176.3 | -56 | -66 | 0 | 0 | 0 | 115.2 | F896 G899 A904 S905 C933 G936 S937 L1124 | F896-F901 AromaticContact CD2-CD1 3.96Å; F896-F901 HydrophobicContact CD2-CD1 3.96Å; F896-F901 AromaticContact CD2-CE1 3.96Å; F896-F901 HydrophobicContact CD2-CE1 3.96Å; F896-F901 HydrophobicContact CE2-CD1 4.07Å; F896-F901 AromaticContact CE2-CE1 3.81Å; F896-F901 HydrophobicContact CE2-CE1 3.81Å; F896-F901 HydrophobicContact CZ-CE1 4.43Å; G899-F901 WeakPolarHBondContact O-CD2 3.44Å; G899-F901 PolarHBondContact O-N 3.03Å; F901-A904 PolarHBondContact O-N 3.41Å; F901-S905 WeakPolarHBondContact O-CB 3.42Å; F901-S905 PolarHBondContact O-N 3.05Å; F901-C933 HydrophobicContact CB-CB 4.32Å; F901-G936 VanDerWaalsContact CD2-C 3.48Å; F901-G936 WeakPolarHBondContact CD2-O 3.26Å; F901-S937 VanDerWaalsContact CB-OG 3.27Å; F901-S937 WeakPolarHBondContact CB-OG 3.45Å; F901-L1124 HydrophobicContact CE1-CD1 4.49Å; F901-L1124 HydrophobicContact CZ-CD1 3.88Å; F901-L1124 HydrophobicContact CZ-CD2 3.68Å; F901-L1124 HydrophobicContact CZ-CG 4.43Å |
| 902 | P | 82.1 | Confident | 84.9 | Confident | 61 Ų | 61 | 33 Ų | 33 | 40% | 0.396 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -60.8 | -51.7 | 177.6 | -24.9 | 35 | 0 | 0 | 0 | 111.8 | A904 S905 E906 | P902-A904 VanDerWaalsContact C-N 3.35Å; P902-A904 PolarHBondContact O-N 3.04Å; P902-S905 WeakPolarHBondContact O-CB 3.31Å; P902-S905 PolarHBondContact O-N 2.75Å; P902-S905 VanDerWaalsContact O-N 3.14Å; P902-S905 PolarHBondContact O-OG 3.4Å; P902-E906 PolarHBondContact O-N 3.08Å |
| 903 | S | 85.4 | Confident | 84.6 | Confident | 36 Ų | 36 | 40.3 Ų | 40.3 | 25% | 0.252 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -66.9 | -36.3 | 177.5 | -54.3 | 0 | 0 | 0 | 0 | 112 | N900 S905 E906 E907 | N900-S903 WeakPolarHBondContact ND2-CB 3.42Å; N900-S903 PolarHBondContact ND2-OG 2.9Å; N900-S903 PolarHBondContact OD1-N 3.45Å; N900-S903 PolarHBondContact OD1-OG 2.97Å; S903-S905 VanDerWaalsContact C-N 3.26Å; S903-S905 PolarHBondContact O-N 3.11Å; S903-E906 PolarHBondContact O-N 2.88Å; S903-E907 VanDerWaalsContact O-CG 3.3Å; S903-E907 WeakPolarHBondContact O-CG 3.32Å; S903-E907 PolarHBondContact O-N 3.35Å |
| 904 | A | 85.4 | Confident | 84 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.2 | -37.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | G892 L895 F896 N900 F901 P902 E907 F908 | G892-A904 WeakPolarHBondContact O-CB 3.43Å; L895-A904 HydrophobicContact CB-CB 3.89Å; F896-A904 HydrophobicContact CB-CB 4.15Å; N900-A904 VanDerWaalsContact O-CB 3.25Å; N900-A904 WeakPolarHBondContact O-CB 3.42Å; N900-A904 PolarHBondContact O-N 2.99Å; F901-A904 PolarHBondContact O-N 3.41Å; P902-A904 VanDerWaalsContact C-N 3.35Å; P902-A904 PolarHBondContact O-N 3.04Å; A904-E907 PolarHBondContact O-N 3.32Å; A904-F908 HydrophobicContact CB-CD2 4.42Å; A904-F908 HydrophobicContact CB-CE2 4.14Å; A904-F908 WeakPolarHBondContact O-CB 3.41Å; A904-F908 WeakPolarHBondContact O-CD2 3.22Å; A904-F908 WeakPolarHBondContact O-CG 3.33Å; A904-F908 PolarHBondContact O-N 2.83Å |
| 905 | S | 86.6 | Confident | 83.3 | Confident | 36 Ų | 36 | 40.5 Ų | 40.5 | 25% | 0.252 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.8 | -43.1 | 178.1 | 79 | 0 | 0 | 0 | 0 | 112.2 | F901 P902 S903 E907 F908 V909 L930 | F901-S905 WeakPolarHBondContact O-CB 3.42Å; F901-S905 PolarHBondContact O-N 3.05Å; P902-S905 WeakPolarHBondContact O-CB 3.31Å; P902-S905 PolarHBondContact O-N 2.75Å; P902-S905 VanDerWaalsContact O-N 3.14Å; P902-S905 PolarHBondContact O-OG 3.4Å; S903-S905 VanDerWaalsContact C-N 3.26Å; S903-S905 PolarHBondContact O-N 3.11Å; S905-E907 VanDerWaalsContact C-N 3.34Å; S905-E907 PolarHBondContact O-N 3.49Å; S905-F908 PolarHBondContact O-N 3.08Å; S905-V909 VanDerWaalsContact O-CG2 3.32Å; S905-V909 WeakPolarHBondContact O-CG2 3.33Å; S905-V909 PolarHBondContact O-N 3.47Å; S905-L930 WeakPolarHBondContact O-CD2 3.28Å |
| 906 | E | 88.2 | Confident | 82.4 | Confident | 103 Ų | 103 | 45.7 Ų | 45.7 | 48% | 0.481 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.1 | -45.1 | 176.9 | -68.9 | 176 | 169 | 0 | 0 | 111.1 | P902 S903 V909 A910 | P902-E906 PolarHBondContact O-N 3.08Å; S903-E906 PolarHBondContact O-N 2.88Å; E906-V909 PolarHBondContact O-N 3.45Å; E906-A910 PolarHBondContact O-N 2.94Å |
| 907 | E | 90 | Very high | 81.4 | Confident | 39 Ų | 39 | 48.5 Ų | 48.5 | 18% | 0.182 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.7 | -39.6 | 179.1 | -62.5 | -65.7 | 165.3 | 0 | 0 | 112.2 | H888 L891 L895 S903 A904 S905 A910 C911 | H888-E907 IonicContact CE1-OE2 2.85Å; H888-E907 IonicContact CG-OE2 3.22Å; H888-E907 IonicContact ND1-OE2 2.85Å; H888-E907 PolarHBondContact ND1-OE2 3.42Å; L891-E907 HydrophobicContact CB-CG 4.47Å; L891-E907 VanDerWaalsContact CD2-CD 3.44Å; L891-E907 HydrophobicContact CD2-CG 4.07Å; L891-E907 WeakPolarHBondContact CD2-OE1 3.46Å; L891-E907 HydrophobicContact CG-CG 3.98Å; L895-E907 HydrophobicContact CD1-CG 3.92Å; S903-E907 VanDerWaalsContact O-CG 3.3Å; S903-E907 WeakPolarHBondContact O-CG 3.32Å; S903-E907 PolarHBondContact O-N 3.35Å; A904-E907 PolarHBondContact O-N 3.32Å; S905-E907 VanDerWaalsContact C-N 3.34Å; S905-E907 PolarHBondContact O-N 3.49Å; E907-A910 PolarHBondContact O-N 3.06Å; E907-C911 WeakPolarHBondContact O-CB 3.34Å; E907-C911 PolarHBondContact O-N 3.32Å |
| 908 | F | 90.3 | Very high | 80.9 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.7 | -33.3 | 174.2 | -72.1 | -43.2 | 0 | 0 | 0 | 112.8 | Y889 G892 F896 A904 S905 C911 L912 I926 L929 L930 | Y889-F908 HydrophobicContact CD2-CD1 4.47Å; Y889-F908 HydrophobicContact CD2-CE1 4.19Å; Y889-F908 HydrophobicContact CE2-CE1 4.45Å; G892-F908 WeakPolarHBondContact O-CZ 3.24Å; F896-F908 HydrophobicContact CB-CE2 4.21Å; F896-F908 HydrophobicContact CB-CZ 4.35Å; F896-F908 HydrophobicContact CD2-CE2 4.47Å; A904-F908 HydrophobicContact CB-CD2 4.42Å; A904-F908 HydrophobicContact CB-CE2 4.14Å; A904-F908 WeakPolarHBondContact O-CB 3.41Å; A904-F908 WeakPolarHBondContact O-CD2 3.22Å; A904-F908 WeakPolarHBondContact O-CG 3.33Å; A904-F908 PolarHBondContact O-N 2.83Å; S905-F908 PolarHBondContact O-N 3.08Å; F908-C911 WeakPolarHBondContact O-CB 3.15Å; F908-C911 PolarHBondContact O-N 3.18Å; F908-L912 WeakPolarHBondContact O-CB 3.25Å; F908-L912 PolarHBondContact O-N 3.12Å; F908-I926 HydrophobicContact CB-CG2 4.04Å; F908-I926 WeakPolarHBondContact O-CG2 3.47Å; F908-L929 HydrophobicContact CD1-CD1 4.22Å; F908-L929 HydrophobicContact CD2-CB 3.92Å; F908-L929 HydrophobicContact CE1-CB 4.37Å; F908-L929 HydrophobicContact CE1-CD1 3.61Å; F908-L929 HydrophobicContact CE2-CB 3.75Å; F908-L929 HydrophobicContact CE2-CD1 4.32Å; F908-L929 HydrophobicContact CE2-CG 4.5Å; F908-L929 HydrophobicContact CG-CB 4.32Å; F908-L929 HydrophobicContact CZ-CB 3.98Å; F908-L929 HydrophobicContact CZ-CD1 3.67Å; F908-L929 HydrophobicContact CZ-CG 4.27Å; F908-L930 HydrophobicContact CB-CD2 3.56Å; F908-L930 HydrophobicContact CB-CG 3.97Å |
| 909 | V | 87.5 | Confident | 80.4 | Confident | 58 Ų | 58 | 57.7 Ų | 57.7 | 35% | 0.352 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.2 | -47.6 | 172.1 | 171.1 | 0 | 0 | 0 | 0 | 110.4 | S905 E906 C911 L912 E913 L930 | S905-V909 VanDerWaalsContact O-CG2 3.32Å; S905-V909 WeakPolarHBondContact O-CG2 3.33Å; S905-V909 PolarHBondContact O-N 3.47Å; E906-V909 PolarHBondContact O-N 3.45Å; V909-C911 VanDerWaalsContact C-N 3.26Å; V909-C911 PolarHBondContact O-N 3.35Å; V909-L912 WeakPolarHBondContact O-CA 3.34Å; V909-L912 WeakPolarHBondContact O-CB 3.22Å; V909-L912 PolarHBondContact O-N 3.23Å; V909-E913 HydrophobicContact CG1-CG 4.47Å; V909-E913 WeakPolarHBondContact O-CG 3.41Å; V909-E913 PolarHBondContact O-N 3.47Å; V909-L930 HydrophobicContact CG2-CD1 4.24Å; V909-L930 HydrophobicContact CG2-CD2 3.77Å |
| 910 | A | 86.2 | Confident | 80.6 | Confident | 26 Ų | 26 | 58.6 Ų | 58.6 | 22% | 0.215 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.7 | -39.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E906 E907 E913 S914 | E906-A910 PolarHBondContact O-N 2.94Å; E907-A910 PolarHBondContact O-N 3.06Å; A910-E913 PolarHBondContact O-N 3.21Å; A910-S914 PolarHBondContact O-N 3.27Å; A910-S914 VanDerWaalsContact O-N 3.1Å |
| 911 | C | 85.8 | Confident | 80.5 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.9 | -48.5 | 170.8 | -176.1 | 0 | 0 | 0 | 0 | 111.3 | G885 H888 E907 F908 V909 E913 S914 L915 I926 | G885-C911 PolarHBondContact O-SG 2.93Å; H888-C911 HydrophobicContact CB-CB 3.87Å; E907-C911 WeakPolarHBondContact O-CB 3.34Å; E907-C911 PolarHBondContact O-N 3.32Å; F908-C911 WeakPolarHBondContact O-CB 3.15Å; F908-C911 PolarHBondContact O-N 3.18Å; V909-C911 VanDerWaalsContact C-N 3.26Å; V909-C911 PolarHBondContact O-N 3.35Å; C911-E913 VanDerWaalsContact C-N 3.29Å; C911-E913 PolarHBondContact O-N 3.24Å; C911-S914 PolarHBondContact O-N 2.82Å; C911-S914 VanDerWaalsContact O-N 3.12Å; C911-S914 PolarHBondContact O-OG 2.93Å; C911-L915 WeakPolarHBondContact O-CG 3.33Å; C911-L915 PolarHBondContact O-N 2.87Å; C911-I926 HydrophobicContact CB-CD1 4.19Å; C911-I926 WeakPolarHBondContact SG-CD1 3.38Å |
| 912 | L | 84 | Confident | 80.4 | Confident | 37 Ų | 37 | 62.1 Ų | 62.1 | 19% | 0.194 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.3 | -31.2 | -179.6 | -164.9 | 131.9 | 0 | 0 | 0 | 113.6 | F908 V909 R923 I926 L927 L930 | F908-L912 WeakPolarHBondContact O-CB 3.25Å; F908-L912 PolarHBondContact O-N 3.12Å; V909-L912 WeakPolarHBondContact O-CA 3.34Å; V909-L912 WeakPolarHBondContact O-CB 3.22Å; V909-L912 PolarHBondContact O-N 3.23Å; L912-R923 PolarHBondContact O-NH2 3.47Å; L912-I926 HydrophobicContact CB-CG2 4.15Å; L912-I926 HydrophobicContact CD1-CB 4.19Å; L912-I926 HydrophobicContact CD1-CG2 3.85Å; L912-L927 HydrophobicContact CD1-CD2 4.15Å; L912-L927 HydrophobicContact CD1-CG 4.09Å; L912-L930 HydrophobicContact CD1-CD1 4.43Å |
| 913 | E | 81.6 | Confident | 80.5 | Confident | 152 Ų | 152 | 61.8 Ų | 61.8 | 71% | 0.71 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -72.4 | -31.4 | 174 | -70.7 | -178.4 | 171.4 | 0 | 0 | 112.8 | V909 A910 C911 | V909-E913 HydrophobicContact CG1-CG 4.47Å; V909-E913 WeakPolarHBondContact O-CG 3.41Å; V909-E913 PolarHBondContact O-N 3.47Å; A910-E913 PolarHBondContact O-N 3.21Å; C911-E913 VanDerWaalsContact C-N 3.29Å; C911-E913 PolarHBondContact O-N 3.24Å |
| 914 | S | 76.4 | Confident | 80.5 | Confident | 54 Ų | 54 | 60.1 Ų | 60.1 | 38% | 0.378 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -78.6 | -18.5 | 179.3 | 73.6 | 0 | 0 | 0 | 0 | 114.9 | G885 A910 C911 | G885-S914 WeakPolarHBondContact CA-OG 3.37Å; A910-S914 PolarHBondContact O-N 3.27Å; A910-S914 VanDerWaalsContact O-N 3.1Å; C911-S914 PolarHBondContact O-N 2.82Å; C911-S914 VanDerWaalsContact O-N 3.12Å; C911-S914 PolarHBondContact O-OG 2.93Å |
| 915 | L | 73.7 | Confident | 80.4 | Confident | 23 Ų | 23 | 64.3 Ų | 64.3 | 12% | 0.12 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -82 | 133.6 | -176.5 | -65.1 | 161.2 | 0 | 0 | 0 | 112 | C911 F922 R923 I926 | C911-L915 WeakPolarHBondContact O-CG 3.33Å; C911-L915 PolarHBondContact O-N 2.87Å; L915-F922 HydrophobicContact CD1-CB 4.49Å; L915-F922 HydrophobicContact CD1-CD1 3.64Å; L915-F922 HydrophobicContact CD1-CE1 4.42Å; L915-F922 HydrophobicContact CD2-CD1 3.88Å; L915-F922 HydrophobicContact CD2-CE1 4.43Å; L915-F922 HydrophobicContact CG-CD1 4.44Å; L915-R923 HydrophobicContact CD1-CG 4.19Å; L915-R923 PolarHBondContact O-NH1 2.96Å; L915-I926 HydrophobicContact CD1-CD1 3.33Å |
| 916 | D | 67.5 | Low | 80.4 | Confident | 115 Ų | 115 | 62.6 Ų | 62.6 | 62% | 0.615 | 33% | 0.325 | S | S | * | . | trans | -58.5 | 150.1 | 171.6 | -77.2 | -29.7 | 0 | 0 | 0 | 111.3 | H918 Q919 R923 | D916-H918 PolarHBondContact O-N 3.32Å; D916-Q919 PolarHBondContact O-N 3Å; D916-Q919 VanDerWaalsContact O-N 3.11Å; D916-R923 PolarHBondContact O-NH1 3.1Å | ||
| 917 | A | 63.7 | Low | 80.4 | Confident | 79 Ų | 79 | 58.3 Ų | 58.3 | 65% | 0.653 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -22.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 918 | H | 67.7 | Low | 80.1 | Confident | 176 Ų | 176 | 59 Ų | 59 | 82% | 0.815 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -16.8 | -179.5 | -65.7 | -64.7 | 0 | 0 | 0 | 114.4 | D916 T920 | D916-H918 PolarHBondContact O-N 3.32Å; H918-T920 VanDerWaalsContact C-N 3.26Å; H918-T920 PolarHBondContact O-N 3.38Å |
| 919 | Q | 70.5 | Confident | 79.9 | Confident | 96 Ų | 96 | 59.8 Ų | 59.8 | 45% | 0.449 | 31% | 0.312 | S | S | . | . | trans | -87.5 | 58.8 | -177.5 | -67.7 | 176.3 | -30.8 | 0 | 0 | 111.8 | D916 E921 F922 R923 | D916-Q919 PolarHBondContact O-N 3Å; D916-Q919 VanDerWaalsContact O-N 3.11Å; Q919-E921 PolarHBondContact O-N 3.32Å; Q919-F922 PolarHBondContact O-N 3.23Å; Q919-R923 WeakPolarHBondContact O-CG 3.3Å; Q919-R923 PolarHBondContact O-N 3.31Å | ||
| 920 | T | 77.5 | Confident | 79.9 | Confident | 49 Ų | 49 | 57.4 Ų | 57.4 | 30% | 0.301 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.6 | -44.4 | -172.4 | 50.3 | 0 | 0 | 0 | 0 | 113.3 | H918 F922 R923 I924 L953 | H918-T920 VanDerWaalsContact C-N 3.26Å; H918-T920 PolarHBondContact O-N 3.38Å; T920-F922 PolarHBondContact O-N 3.47Å; T920-R923 WeakPolarHBondContact O-CB 3.3Å; T920-R923 PolarHBondContact O-N 2.89Å; T920-I924 WeakPolarHBondContact O-CG1 3.39Å; T920-I924 PolarHBondContact O-N 3.39Å; T920-L953 WeakPolarHBondContact O-CD2 3.48Å |
| 921 | E | 79.1 | Confident | 79.7 | Confident | 109 Ų | 109 | 56.2 Ų | 56.2 | 51% | 0.509 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.9 | -43.7 | -179.3 | -65.7 | -176 | 170.9 | 0 | 0 | 112.6 | Q919 R923 I924 Q925 | Q919-E921 PolarHBondContact O-N 3.32Å; E921-R923 VanDerWaalsContact C-N 3.34Å; E921-R923 PolarHBondContact O-N 3.15Å; E921-I924 WeakPolarHBondContact O-CB 3.2Å; E921-I924 PolarHBondContact O-N 3.36Å; E921-Q925 PolarHBondContact O-N 3.14Å |
| 922 | F | 79.9 | Confident | 79.3 | Confident | 55 Ų | 55 | 59.1 Ų | 59.1 | 24% | 0.241 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.6 | -36.6 | -180 | -149.3 | -94 | 0 | 0 | 0 | 111.2 | L886 Y889 L915 Q919 T920 I924 Q925 I926 | L886-F922 HydrophobicContact CD2-CZ 4.27Å; Y889-F922 HydrophobicContact CD1-CZ 4.35Å; Y889-F922 AromaticContact CD2-CE1 3.91Å; Y889-F922 HydrophobicContact CD2-CE1 3.91Å; Y889-F922 AromaticContact CD2-CZ 3.9Å; Y889-F922 HydrophobicContact CD2-CZ 3.9Å; Y889-F922 HydrophobicContact CE2-CE1 4.43Å; Y889-F922 HydrophobicContact CE2-CZ 4.17Å; Y889-F922 HydrophobicContact CG-CE1 4.22Å; Y889-F922 AromaticContact CG-CZ 3.99Å; Y889-F922 HydrophobicContact CG-CZ 3.99Å; L915-F922 HydrophobicContact CD1-CB 4.49Å; L915-F922 HydrophobicContact CD1-CD1 3.64Å; L915-F922 HydrophobicContact CD1-CE1 4.42Å; L915-F922 HydrophobicContact CD2-CD1 3.88Å; L915-F922 HydrophobicContact CD2-CE1 4.43Å; L915-F922 HydrophobicContact CG-CD1 4.44Å; Q919-F922 PolarHBondContact O-N 3.23Å; T920-F922 PolarHBondContact O-N 3.47Å; F922-I924 PolarHBondContact O-N 3.06Å; F922-Q925 PolarHBondContact O-N 2.95Å; F922-I926 HydrophobicContact CD1-CD1 3.59Å; F922-I926 HydrophobicContact CD1-CG1 4.19Å; F922-I926 HydrophobicContact CE1-CD1 3.82Å; F922-I926 HydrophobicContact CE1-CG1 4.3Å; F922-I926 WeakPolarHBondContact O-CG1 3.36Å; F922-I926 PolarHBondContact O-N 2.99Å |
| 923 | R | 84.3 | Confident | 79.2 | Confident | 55 Ų | 55 | 57.3 Ų | 57.3 | 21% | 0.208 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.7 | -39.1 | 173 | -65.8 | 177 | 101.7 | 113.9 | 8.7 | 112.3 | L912 L915 D916 Q919 T920 E921 Q925 I926 L927 L953 | L912-R923 PolarHBondContact O-NH2 3.47Å; L915-R923 HydrophobicContact CD1-CG 4.19Å; L915-R923 PolarHBondContact O-NH1 2.96Å; D916-R923 PolarHBondContact O-NH1 3.1Å; Q919-R923 WeakPolarHBondContact O-CG 3.3Å; Q919-R923 PolarHBondContact O-N 3.31Å; T920-R923 WeakPolarHBondContact O-CB 3.3Å; T920-R923 PolarHBondContact O-N 2.89Å; E921-R923 VanDerWaalsContact C-N 3.34Å; E921-R923 PolarHBondContact O-N 3.15Å; R923-Q925 VanDerWaalsContact C-N 3.29Å; R923-Q925 PolarHBondContact O-N 3.14Å; R923-I926 PolarHBondContact O-N 3.23Å; R923-L927 WeakPolarHBondContact O-CG 3.18Å; R923-L927 PolarHBondContact O-N 3.33Å; R923-L953 HydrophobicContact CB-CD1 4.37Å; R923-L953 HydrophobicContact CB-CD2 4.27Å |
| 924 | I | 84.4 | Confident | 79 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.2 | -42.3 | 175.3 | -63.6 | 170.8 | 0 | 0 | 0 | 110.3 | T920 E921 F922 K928 R950 L953 A954 A957 H962 | T920-I924 WeakPolarHBondContact O-CG1 3.39Å; T920-I924 PolarHBondContact O-N 3.39Å; E921-I924 WeakPolarHBondContact O-CB 3.2Å; E921-I924 PolarHBondContact O-N 3.36Å; F922-I924 PolarHBondContact O-N 3.06Å; I924-K928 PolarHBondContact O-N 3.36Å; I924-R950 HydrophobicContact CG2-CG 3.78Å; I924-R950 VanDerWaalsContact O-CD 3.28Å; I924-R950 WeakPolarHBondContact O-CD 3.49Å; I924-R950 PolarHBondContact O-NE 3.46Å; I924-L953 HydrophobicContact CD1-CD2 3.96Å; I924-L953 HydrophobicContact CG1-CD2 3.3Å; I924-L953 HydrophobicContact CG1-CG 4.49Å; I924-A954 HydrophobicContact CD1-CB 4.05Å; I924-A957 HydrophobicContact CD1-CB 4.14Å; I924-H962 HydrophobicContact CD1-CB 3.88Å; I924-H962 HydrophobicContact CG2-CB 4.15Å |
| 925 | Q | 83.3 | Confident | 78.8 | Confident | 87 Ų | 87 | 52.7 Ų | 52.7 | 41% | 0.407 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -68.1 | -42.9 | 179 | -67.8 | -179.4 | 0.2 | 0 | 0 | 112.2 | E921 F922 R923 L927 K928 L929 | E921-Q925 PolarHBondContact O-N 3.14Å; F922-Q925 PolarHBondContact O-N 2.95Å; R923-Q925 VanDerWaalsContact C-N 3.29Å; R923-Q925 PolarHBondContact O-N 3.14Å; Q925-L927 PolarHBondContact O-N 3.33Å; Q925-K928 WeakPolarHBondContact O-CB 3.49Å; Q925-K928 PolarHBondContact O-N 3.01Å; Q925-K928 VanDerWaalsContact O-N 3.13Å; Q925-L929 PolarHBondContact O-N 3.19Å |
| 926 | I | 87.1 | Confident | 78.4 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.1 | -39.6 | 177.8 | -67.5 | 165.1 | 0 | 0 | 0 | 111.5 | Y889 F908 C911 L912 L915 F922 R923 K928 L929 L930 | Y889-I926 HydrophobicContact CD2-CG1 4.38Å; F908-I926 HydrophobicContact CB-CG2 4.04Å; F908-I926 WeakPolarHBondContact O-CG2 3.47Å; C911-I926 HydrophobicContact CB-CD1 4.19Å; C911-I926 WeakPolarHBondContact SG-CD1 3.38Å; L912-I926 HydrophobicContact CB-CG2 4.15Å; L912-I926 HydrophobicContact CD1-CB 4.19Å; L912-I926 HydrophobicContact CD1-CG2 3.85Å; L915-I926 HydrophobicContact CD1-CD1 3.33Å; F922-I926 HydrophobicContact CD1-CD1 3.59Å; F922-I926 HydrophobicContact CD1-CG1 4.19Å; F922-I926 HydrophobicContact CE1-CD1 3.82Å; F922-I926 HydrophobicContact CE1-CG1 4.3Å; F922-I926 WeakPolarHBondContact O-CG1 3.36Å; F922-I926 PolarHBondContact O-N 2.99Å; R923-I926 PolarHBondContact O-N 3.23Å; I926-K928 PolarHBondContact O-N 3.37Å; I926-L929 PolarHBondContact O-N 3.09Å; I926-L930 HydrophobicContact CG2-CD1 3.97Å; I926-L930 HydrophobicContact CG2-CG 4.16Å; I926-L930 WeakPolarHBondContact O-CG 3.29Å; I926-L930 PolarHBondContact O-N 3.39Å |
| 927 | L | 87.1 | Confident | 78.7 | Confident | 14 Ų | 14 | 50 Ų | 50 | 7% | 0.073 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.6 | -28.6 | 175.5 | -71.9 | 168.2 | 0 | 0 | 0 | 112.5 | L912 R923 Q925 L930 A931 N949 R950 | L912-L927 HydrophobicContact CD1-CD2 4.15Å; L912-L927 HydrophobicContact CD1-CG 4.09Å; R923-L927 WeakPolarHBondContact O-CG 3.18Å; R923-L927 PolarHBondContact O-N 3.33Å; Q925-L927 PolarHBondContact O-N 3.33Å; L927-L930 HydrophobicContact CD2-CD1 4.39Å; L927-A931 WeakPolarHBondContact O-CB 3.09Å; L927-A931 PolarHBondContact O-N 3.42Å; L927-N949 HydrophobicContact CD1-CB 4.32Å; L927-N949 HydrophobicContact CD2-CB 4.36Å; L927-R950 HydrophobicContact CB-CB 3.83Å; L927-R950 HydrophobicContact CB-CG 4.2Å; L927-R950 HydrophobicContact CD1-CB 4.25Å |
| 928 | K | 83.8 | Confident | 78.8 | Confident | 54 Ų | 54 | 49 Ų | 49 | 24% | 0.235 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.1 | -49.8 | 169.9 | -175.6 | 175.4 | -166.5 | -160.5 | 0 | 111 | I924 Q925 I926 L930 A931 Y932 | I924-K928 PolarHBondContact O-N 3.36Å; Q925-K928 WeakPolarHBondContact O-CB 3.49Å; Q925-K928 PolarHBondContact O-N 3.01Å; Q925-K928 VanDerWaalsContact O-N 3.13Å; I926-K928 PolarHBondContact O-N 3.37Å; K928-L930 VanDerWaalsContact C-N 3.35Å; K928-L930 PolarHBondContact O-N 2.9Å; K928-A931 WeakPolarHBondContact O-CB 3.45Å; K928-A931 PolarHBondContact O-N 2.77Å; K928-Y932 HydrophobicContact CD-CE2 4.05Å; K928-Y932 VanDerWaalsContact CE-CZ 3.45Å; K928-Y932 WeakPolarHBondContact CE-OH 3.42Å; K928-Y932 HydrophobicContact CG-CD2 4.15Å; K928-Y932 HydrophobicContact CG-CE2 3.7Å; K928-Y932 PolarHBondContact NZ-OH 3.1Å; K928-Y932 PolarHBondContact O-N 3.43Å |
| 929 | L | 86.3 | Confident | 79.2 | Confident | 16 Ų | 16 | 43.9 Ų | 43.9 | 8% | 0.084 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65 | -39 | -178.8 | -64 | 171.9 | 0 | 0 | 0 | 111.6 | Y889 W893 F908 Q925 I926 Y932 C933 | Y889-L929 HydrophobicContact CE2-CD1 3.73Å; W893-L929 HydrophobicContact CE3-CD2 4.14Å; W893-L929 HydrophobicContact CZ3-CD2 3.78Å; F908-L929 HydrophobicContact CD1-CD1 4.22Å; F908-L929 HydrophobicContact CD2-CB 3.92Å; F908-L929 HydrophobicContact CE1-CB 4.37Å; F908-L929 HydrophobicContact CE1-CD1 3.61Å; F908-L929 HydrophobicContact CE2-CB 3.75Å; F908-L929 HydrophobicContact CE2-CD1 4.32Å; F908-L929 HydrophobicContact CE2-CG 4.5Å; F908-L929 HydrophobicContact CG-CB 4.32Å; F908-L929 HydrophobicContact CZ-CB 3.98Å; F908-L929 HydrophobicContact CZ-CD1 3.67Å; F908-L929 HydrophobicContact CZ-CG 4.27Å; Q925-L929 PolarHBondContact O-N 3.19Å; I926-L929 PolarHBondContact O-N 3.09Å; L929-Y932 PolarHBondContact O-N 2.92Å; L929-C933 PolarHBondContact O-N 3.36Å; L929-C933 PolarHBondContact O-SG 3.39Å |
| 930 | L | 87.7 | Confident | 79.1 | Confident | 7 Ų | 7 | 41.4 Ų | 41.4 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.5 | -42.1 | 173.3 | -72.7 | 172.8 | 0 | 0 | 0 | 112.3 | S905 F908 V909 L912 I926 L927 K928 Y932 C933 A934 | S905-L930 WeakPolarHBondContact O-CD2 3.28Å; F908-L930 HydrophobicContact CB-CD2 3.56Å; F908-L930 HydrophobicContact CB-CG 3.97Å; V909-L930 HydrophobicContact CG2-CD1 4.24Å; V909-L930 HydrophobicContact CG2-CD2 3.77Å; L912-L930 HydrophobicContact CD1-CD1 4.43Å; I926-L930 HydrophobicContact CG2-CD1 3.97Å; I926-L930 HydrophobicContact CG2-CG 4.16Å; I926-L930 WeakPolarHBondContact O-CG 3.29Å; I926-L930 PolarHBondContact O-N 3.39Å; L927-L930 HydrophobicContact CD2-CD1 4.39Å; K928-L930 VanDerWaalsContact C-N 3.35Å; K928-L930 PolarHBondContact O-N 2.9Å; L930-Y932 VanDerWaalsContact C-N 3.31Å; L930-Y932 PolarHBondContact O-N 3.28Å; L930-C933 PolarHBondContact O-N 3.47Å; L930-A934 WeakPolarHBondContact O-CB 3.35Å; L930-A934 PolarHBondContact O-N 3.12Å |
| 931 | A | 81.4 | Confident | 78.9 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.008 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.1 | -42 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L927 K928 A934 Y935 C943 H946 L947 | L927-A931 WeakPolarHBondContact O-CB 3.09Å; L927-A931 PolarHBondContact O-N 3.42Å; K928-A931 WeakPolarHBondContact O-CB 3.45Å; K928-A931 PolarHBondContact O-N 2.77Å; A931-A934 PolarHBondContact O-N 3.45Å; A931-Y935 WeakPolarHBondContact O-CB 3.18Å; A931-Y935 PolarHBondContact O-N 3.35Å; A931-C943 PolarHBondContact O-SG 3.46Å; A931-H946 HydrophobicContact CB-CB 3.97Å; A931-L947 HydrophobicContact CB-CD1 4.45Å; A931-L947 HydrophobicContact CB-CD2 3.65Å; A931-L947 HydrophobicContact CB-CG 3.69Å |
| 932 | Y | 79.3 | Confident | 79 | Confident | 61 Ų | 61 | 43.9 Ų | 43.9 | 24% | 0.239 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.5 | -35.6 | 175.4 | -67.1 | -28.1 | 0 | 0 | 0 | 113.7 | F896 K928 L929 L930 Y935 G936 | F896-Y932 HydrophobicContact CZ-CD2 4.49Å; K928-Y932 HydrophobicContact CD-CE2 4.05Å; K928-Y932 VanDerWaalsContact CE-CZ 3.45Å; K928-Y932 WeakPolarHBondContact CE-OH 3.42Å; K928-Y932 HydrophobicContact CG-CD2 4.15Å; K928-Y932 HydrophobicContact CG-CE2 3.7Å; K928-Y932 PolarHBondContact NZ-OH 3.1Å; K928-Y932 PolarHBondContact O-N 3.43Å; L929-Y932 PolarHBondContact O-N 2.92Å; L930-Y932 VanDerWaalsContact C-N 3.31Å; L930-Y932 PolarHBondContact O-N 3.28Å; Y932-Y935 PolarHBondContact O-N 3.45Å; Y932-G936 PolarHBondContact O-N 2.97Å |
| 933 | C | 80.8 | Confident | 79 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.6 | -42.2 | 172.9 | -64.7 | 0 | 0 | 0 | 0 | 111 | F901 L929 L930 Y935 G936 S937 | F901-C933 HydrophobicContact CB-CB 4.32Å; L929-C933 PolarHBondContact O-N 3.36Å; L929-C933 PolarHBondContact O-SG 3.39Å; L930-C933 PolarHBondContact O-N 3.47Å; C933-Y935 VanDerWaalsContact C-N 3.34Å; C933-G936 PolarHBondContact O-N 3.25Å; C933-S937 VanDerWaalsContact O-CB 3.28Å; C933-S937 WeakPolarHBondContact O-CB 3.45Å; C933-S937 PolarHBondContact O-N 3.37Å; C933-S937 PolarHBondContact O-OG 3.09Å |
| 934 | A | 78.7 | Confident | 78.6 | Confident | 4 Ų | 4 | 40.5 Ų | 40.5 | 3% | 0.033 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.3 | -42.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L930 A931 S937 G938 L939 L942 C943 | L930-A934 WeakPolarHBondContact O-CB 3.35Å; L930-A934 PolarHBondContact O-N 3.12Å; A931-A934 PolarHBondContact O-N 3.45Å; A934-S937 PolarHBondContact O-N 3.31Å; A934-G938 PolarHBondContact O-N 3.36Å; A934-L939 PolarHBondContact O-N 2.82Å; A934-L942 HydrophobicContact CB-CB 4.08Å; A934-L942 HydrophobicContact CB-CD2 4.06Å; A934-L942 HydrophobicContact CB-CG 4.15Å; A934-C943 HydrophobicContact CB-CB 3.99Å |
| 935 | Y | 71.2 | Confident | 78.6 | Confident | 105 Ų | 105 | 42.6 Ų | 42.6 | 41% | 0.412 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.5 | -49.1 | 174.3 | -174.5 | -108 | 0 | 0 | 0 | 112.2 | A931 Y932 C933 S937 G938 M973 | A931-Y935 WeakPolarHBondContact O-CB 3.18Å; A931-Y935 PolarHBondContact O-N 3.35Å; Y932-Y935 PolarHBondContact O-N 3.45Å; C933-Y935 VanDerWaalsContact C-N 3.34Å; Y935-S937 PolarHBondContact O-N 3.07Å; Y935-G938 PolarHBondContact O-N 3.1Å; Y935-M973 HydrophobicContact CD2-CE 3.09Å; Y935-M973 HydrophobicContact CD2-SD 4.21Å; Y935-M973 HydrophobicContact CE2-CE 3.51Å; Y935-M973 HydrophobicContact CE2-SD 4.2Å; Y935-M973 HydrophobicContact CG-CE 3.74Å |
| 936 | G | 65.1 | Low | 78.8 | Confident | 36 Ų | 36 | 39.9 Ų | 39.9 | 37% | 0.371 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.3 | -22.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | F901 Y932 C933 | F901-G936 VanDerWaalsContact CD2-C 3.48Å; F901-G936 WeakPolarHBondContact CD2-O 3.26Å; Y932-G936 PolarHBondContact O-N 2.97Å; C933-G936 PolarHBondContact O-N 3.25Å |
| 937 | S | 74.2 | Confident | 78.6 | Confident | 44 Ų | 44 | 40.2 Ų | 40.2 | 31% | 0.308 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | 0.5 | 174.7 | -51 | 0 | 0 | 0 | 0 | 113.6 | F901 C933 A934 Y935 | F901-S937 VanDerWaalsContact CB-OG 3.27Å; F901-S937 WeakPolarHBondContact CB-OG 3.45Å; C933-S937 VanDerWaalsContact O-CB 3.28Å; C933-S937 WeakPolarHBondContact O-CB 3.45Å; C933-S937 PolarHBondContact O-N 3.37Å; C933-S937 PolarHBondContact O-OG 3.09Å; A934-S937 PolarHBondContact O-N 3.31Å; Y935-S937 PolarHBondContact O-N 3.07Å |
| 938 | G | 65.8 | Low | 78.5 | Confident | 60 Ų | 60 | 46.5 Ų | 46.5 | 62% | 0.619 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.7 | 28.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115 | A934 Y935 P940 | A934-G938 PolarHBondContact O-N 3.36Å; Y935-G938 PolarHBondContact O-N 3.1Å; G938-P940 VanDerWaalsContact O-CD 3.26Å; G938-P940 WeakPolarHBondContact O-CD 3.36Å |
| 939 | L | 75.1 | Confident | 78.7 | Confident | 68 Ų | 68 | 47.9 Ų | 47.9 | 36% | 0.356 | 27% | 0.274 | S | S | . | . | trans | -113.2 | 79 | -179.9 | -62.7 | 173.5 | 0 | 0 | 0 | 111.2 | A934 D941 L942 C943 F1315 | A934-L939 PolarHBondContact O-N 2.82Å; L939-D941 PolarHBondContact O-N 2.99Å; L939-L942 HydrophobicContact CB-CB 4Å; L939-L942 HydrophobicContact CD1-CD2 4.05Å; L939-L942 PolarHBondContact O-N 3.31Å; L939-C943 PolarHBondContact O-N 3.29Å; L939-F1315 HydrophobicContact CD1-CZ 4.41Å | ||
| 940 | P | 68.5 | Low | 78.7 | Confident | 43 Ų | 43 | 47.6 Ų | 47.6 | 28% | 0.279 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.7 | -38.8 | -174.1 | 27.2 | -35.9 | 0 | 0 | 0 | 113 | G938 L942 C943 A944 | G938-P940 VanDerWaalsContact O-CD 3.26Å; G938-P940 WeakPolarHBondContact O-CD 3.36Å; P940-L942 VanDerWaalsContact C-N 3.31Å; P940-L942 PolarHBondContact O-N 3.02Å; P940-C943 WeakPolarHBondContact O-CB 3.24Å; P940-C943 PolarHBondContact O-N 3.29Å; P940-A944 PolarHBondContact O-N 3.18Å |
| 941 | D | 74.7 | Confident | 78.7 | Confident | 136 Ų | 136 | 48.4 Ų | 48.4 | 73% | 0.727 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -59.6 | -43.1 | 177.3 | -69.6 | -34.1 | 0 | 0 | 0 | 111.9 | L939 A944 S945 | L939-D941 PolarHBondContact O-N 2.99Å; D941-A944 PolarHBondContact O-N 2.93Å; D941-S945 WeakPolarHBondContact O-CB 3.31Å; D941-S945 PolarHBondContact O-N 3.43Å |
| 942 | L | 80.2 | Confident | 79 | Confident | 75 Ų | 75 | 51.3 Ų | 51.3 | 39% | 0.393 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -68.6 | -40.6 | 179 | -168.4 | 70.2 | 0 | 0 | 0 | 110.2 | A934 L939 P940 S945 H946 | A934-L942 HydrophobicContact CB-CB 4.08Å; A934-L942 HydrophobicContact CB-CD2 4.06Å; A934-L942 HydrophobicContact CB-CG 4.15Å; L939-L942 HydrophobicContact CB-CB 4Å; L939-L942 HydrophobicContact CD1-CD2 4.05Å; L939-L942 PolarHBondContact O-N 3.31Å; P940-L942 VanDerWaalsContact C-N 3.31Å; P940-L942 PolarHBondContact O-N 3.02Å; L942-S945 PolarHBondContact O-N 3.48Å; L942-S945 PolarHBondContact O-OG 2.98Å; L942-H946 PolarHBondContact O-CD2 3.09Å; L942-H946 PolarHBondContact O-N 2.88Å |
| 943 | C | 79.4 | Confident | 79.3 | Confident | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.007 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.5 | -51 | 172.9 | -173.3 | 0 | 0 | 0 | 0 | 111.8 | A931 A934 L939 P940 S945 H946 L947 M973 | A931-C943 PolarHBondContact O-SG 3.46Å; A934-C943 HydrophobicContact CB-CB 3.99Å; L939-C943 PolarHBondContact O-N 3.29Å; P940-C943 WeakPolarHBondContact O-CB 3.24Å; P940-C943 PolarHBondContact O-N 3.29Å; C943-S945 VanDerWaalsContact C-N 3.27Å; C943-S945 PolarHBondContact O-N 2.88Å; C943-H946 PolarHBondContact O-N 3.34Å; C943-L947 WeakPolarHBondContact O-CG 3.38Å; C943-L947 PolarHBondContact O-N 2.87Å; C943-M973 HydrophobicContact CB-CE 4.4Å; C943-M973 WeakPolarHBondContact SG-CE 3.43Å |
| 944 | A | 77.6 | Confident | 79.6 | Confident | 38 Ų | 38 | 50.2 Ų | 50.2 | 31% | 0.314 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.4 | -38.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | P940 D941 K948 | P940-A944 PolarHBondContact O-N 3.18Å; D941-A944 PolarHBondContact O-N 2.93Å; A944-K948 WeakPolarHBondContact O-CB 3.34Å; A944-K948 WeakPolarHBondContact O-CG 3.37Å; A944-K948 PolarHBondContact O-N 3.45Å |
| 945 | S | 84.6 | Confident | 79.9 | Confident | 45 Ų | 45 | 56.5 Ų | 56.5 | 32% | 0.315 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.7 | -44.3 | 175.9 | 84.4 | 0 | 0 | 0 | 0 | 112.6 | D941 L942 C943 K948 N949 | D941-S945 WeakPolarHBondContact O-CB 3.31Å; D941-S945 PolarHBondContact O-N 3.43Å; L942-S945 PolarHBondContact O-N 3.48Å; L942-S945 PolarHBondContact O-OG 2.98Å; C943-S945 VanDerWaalsContact C-N 3.27Å; C943-S945 PolarHBondContact O-N 2.88Å; S945-K948 PolarHBondContact O-N 3.33Å; S945-N949 WeakPolarHBondContact O-CB 3.25Å; S945-N949 VanDerWaalsContact O-CG 3.27Å; S945-N949 PolarHBondContact O-N 3.28Å; S945-N949 PolarHBondContact O-ND2 3.28Å |
| 946 | H | 86.1 | Confident | 80.6 | Confident | 30 Ų | 30 | 56.9 Ų | 56.9 | 14% | 0.139 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.9 | -39 | 178.5 | -72.5 | -54.3 | 0 | 0 | 0 | 112.1 | A931 L942 C943 N949 R950 | A931-H946 HydrophobicContact CB-CB 3.97Å; L942-H946 PolarHBondContact O-CD2 3.09Å; L942-H946 PolarHBondContact O-N 2.88Å; C943-H946 PolarHBondContact O-N 3.34Å; H946-N949 PolarHBondContact O-N 3.23Å; H946-R950 WeakPolarHBondContact O-CB 3.25Å; H946-R950 PolarHBondContact O-N 3.34Å |
| 947 | L | 83.5 | Confident | 81.4 | Confident | 7 Ų | 7 | 56.7 Ų | 56.7 | 4% | 0.037 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.6 | -41.1 | 175.8 | -68.2 | 173.2 | 0 | 0 | 0 | 112.5 | A931 C943 N949 R950 L951 D969 V970 M973 | A931-L947 HydrophobicContact CB-CD1 4.45Å; A931-L947 HydrophobicContact CB-CD2 3.65Å; A931-L947 HydrophobicContact CB-CG 3.69Å; C943-L947 WeakPolarHBondContact O-CG 3.38Å; C943-L947 PolarHBondContact O-N 2.87Å; L947-N949 VanDerWaalsContact C-N 3.35Å; L947-N949 PolarHBondContact O-N 3.4Å; L947-R950 WeakPolarHBondContact O-CB 3.31Å; L947-R950 PolarHBondContact O-N 3.45Å; L947-L951 WeakPolarHBondContact O-CB 3.22Å; L947-L951 PolarHBondContact O-N 2.96Å; L947-D969 HydrophobicContact CD2-CB 3.88Å; L947-V970 HydrophobicContact CB-CG2 3.8Å; L947-M973 HydrophobicContact CD1-CB 3.66Å; L947-M973 HydrophobicContact CD1-CG 3.58Å |
| 948 | K | 85.3 | Confident | 81.6 | Confident | 145 Ų | 145 | 57.8 Ų | 57.8 | 63% | 0.63 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -60.7 | -43.6 | 172 | -77.8 | 176.3 | -178.3 | 173.3 | 0 | 111.5 | A944 S945 L951 S952 | A944-K948 WeakPolarHBondContact O-CB 3.34Å; A944-K948 WeakPolarHBondContact O-CG 3.37Å; A944-K948 PolarHBondContact O-N 3.45Å; S945-K948 PolarHBondContact O-N 3.33Å; K948-L951 PolarHBondContact O-N 3.13Å; K948-S952 WeakPolarHBondContact O-CB 3.37Å; K948-S952 PolarHBondContact O-N 2.77Å |
| 949 | N | 86.6 | Confident | 82.3 | Confident | 84 Ų | 84 | 57.2 Ų | 57.2 | 45% | 0.449 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 175.1 | -73.6 | -18.9 | 0 | 0 | 0 | 111.5 | L927 S945 H946 L947 L951 S952 L953 | L927-N949 HydrophobicContact CD1-CB 4.32Å; L927-N949 HydrophobicContact CD2-CB 4.36Å; S945-N949 WeakPolarHBondContact O-CB 3.25Å; S945-N949 VanDerWaalsContact O-CG 3.27Å; S945-N949 PolarHBondContact O-N 3.28Å; S945-N949 PolarHBondContact O-ND2 3.28Å; H946-N949 PolarHBondContact O-N 3.23Å; L947-N949 VanDerWaalsContact C-N 3.35Å; L947-N949 PolarHBondContact O-N 3.4Å; N949-L951 PolarHBondContact O-N 3.2Å; N949-S952 PolarHBondContact O-N 3.25Å; N949-S952 PolarHBondContact O-OG 3.26Å; N949-L953 WeakPolarHBondContact O-CB 3.28Å; N949-L953 PolarHBondContact O-N 2.92Å |
| 950 | R | 87.4 | Confident | 82.5 | Confident | 10 Ų | 10 | 54.9 Ų | 54.9 | 4% | 0.038 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.5 | -45 | 176.1 | -174.1 | 173.9 | 159.5 | -148.1 | -8.8 | 112.1 | I924 L927 H946 L947 L953 A954 A966 D969 | I924-R950 HydrophobicContact CG2-CG 3.78Å; I924-R950 VanDerWaalsContact O-CD 3.28Å; I924-R950 WeakPolarHBondContact O-CD 3.49Å; I924-R950 PolarHBondContact O-NE 3.46Å; L927-R950 HydrophobicContact CB-CB 3.83Å; L927-R950 HydrophobicContact CB-CG 4.2Å; L927-R950 HydrophobicContact CD1-CB 4.25Å; H946-R950 WeakPolarHBondContact O-CB 3.25Å; H946-R950 PolarHBondContact O-N 3.34Å; L947-R950 WeakPolarHBondContact O-CB 3.31Å; L947-R950 PolarHBondContact O-N 3.45Å; R950-L953 PolarHBondContact O-N 3.49Å; R950-A954 VanDerWaalsContact O-CB 3.29Å; R950-A954 WeakPolarHBondContact O-CB 3.22Å; R950-A954 PolarHBondContact O-N 3.1Å; R950-A966 HydrophobicContact CG-CB 4.23Å; R950-D969 IonicContact CZ-OD2 2.7Å; R950-D969 IonicContact NH1-OD2 3.95Å; R950-D969 PolarHBondContact NH1-OD2 3.47Å; R950-D969 IonicContact NH2-OD2 3.06Å; R950-D969 PolarHBondContact NH2-OD2 3.36Å |
| 951 | L | 87 | Confident | 83.1 | Confident | 23 Ų | 23 | 57.1 Ų | 57.1 | 12% | 0.12 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.4 | -43.6 | 176.2 | 180 | 62.7 | 0 | 0 | 0 | 111.6 | L947 K948 N949 L953 A954 R955 E963 A966 L967 | L947-L951 WeakPolarHBondContact O-CB 3.22Å; L947-L951 PolarHBondContact O-N 2.96Å; K948-L951 PolarHBondContact O-N 3.13Å; N949-L951 PolarHBondContact O-N 3.2Å; L951-L953 VanDerWaalsContact C-N 3.33Å; L951-L953 PolarHBondContact O-N 3.37Å; L951-A954 PolarHBondContact O-N 3.2Å; L951-R955 WeakPolarHBondContact O-CG 3.21Å; L951-R955 PolarHBondContact O-N 2.99Å; L951-E963 HydrophobicContact CD1-CG 4.11Å; L951-A966 HydrophobicContact CB-CB 4.17Å; L951-A966 HydrophobicContact CD1-CB 4.01Å; L951-L967 HydrophobicContact CD1-CD2 3.64Å; L951-L967 HydrophobicContact CD1-CG 3.74Å; L951-L967 HydrophobicContact CD2-CD2 3.91Å; L951-L967 HydrophobicContact CG-CD2 4.45Å |
| 952 | S | 87.6 | Confident | 83.5 | Confident | 63 Ų | 63 | 51.9 Ų | 51.9 | 44% | 0.441 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.9 | -42.6 | 176.9 | 78.7 | 0 | 0 | 0 | 0 | 111.9 | K948 N949 R955 T956 | K948-S952 WeakPolarHBondContact O-CB 3.37Å; K948-S952 PolarHBondContact O-N 2.77Å; N949-S952 PolarHBondContact O-N 3.25Å; N949-S952 PolarHBondContact O-OG 3.26Å; S952-R955 PolarHBondContact O-N 3.24Å; S952-T956 WeakPolarHBondContact O-CG2 3.33Å; S952-T956 PolarHBondContact O-N 3.12Å; S952-T956 VanDerWaalsContact O-N 3.11Å |
| 953 | L | 86.8 | Confident | 83.7 | Confident | 37 Ų | 37 | 50.1 Ų | 50.1 | 19% | 0.194 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -73.6 | -38.6 | -178 | -159.1 | 139.7 | 0 | 0 | 0 | 111.3 | T920 R923 I924 N949 R950 L951 R955 T956 A957 | T920-L953 WeakPolarHBondContact O-CD2 3.48Å; R923-L953 HydrophobicContact CB-CD1 4.37Å; R923-L953 HydrophobicContact CB-CD2 4.27Å; I924-L953 HydrophobicContact CD1-CD2 3.96Å; I924-L953 HydrophobicContact CG1-CD2 3.3Å; I924-L953 HydrophobicContact CG1-CG 4.49Å; N949-L953 WeakPolarHBondContact O-CB 3.28Å; N949-L953 PolarHBondContact O-N 2.92Å; R950-L953 PolarHBondContact O-N 3.49Å; L951-L953 VanDerWaalsContact C-N 3.33Å; L951-L953 PolarHBondContact O-N 3.37Å; L953-R955 VanDerWaalsContact C-N 3.34Å; L953-R955 PolarHBondContact O-N 2.89Å; L953-T956 WeakPolarHBondContact CA-OG1 3.45Å; L953-T956 PolarHBondContact O-N 3.45Å; L953-T956 PolarHBondContact O-OG1 3.13Å; L953-A957 WeakPolarHBondContact O-CB 3.31Å; L953-A957 PolarHBondContact O-N 3.09Å |
| 954 | A | 85.7 | Confident | 84 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.3 | -40.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I924 R950 L951 A957 G958 H962 E963 | I924-A954 HydrophobicContact CD1-CB 4.05Å; R950-A954 VanDerWaalsContact O-CB 3.29Å; R950-A954 WeakPolarHBondContact O-CB 3.22Å; R950-A954 PolarHBondContact O-N 3.1Å; L951-A954 PolarHBondContact O-N 3.2Å; A954-A957 PolarHBondContact O-N 2.99Å; A954-G958 PolarHBondContact O-N 2.94Å; A954-H962 HydrophobicContact CB-CB 3.97Å; A954-E963 HydrophobicContact CB-CB 4.38Å |
| 955 | R | 86.3 | Confident | 84.1 | Confident | 137 Ų | 137 | 50.2 Ų | 50.2 | 52% | 0.517 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.1 | -41.7 | 172.6 | -78.8 | 176.4 | 173.3 | 169 | 3.1 | 112.5 | L951 S952 L953 A957 G958 E963 | L951-R955 WeakPolarHBondContact O-CG 3.21Å; L951-R955 PolarHBondContact O-N 2.99Å; S952-R955 PolarHBondContact O-N 3.24Å; L953-R955 VanDerWaalsContact C-N 3.34Å; L953-R955 PolarHBondContact O-N 2.89Å; R955-A957 VanDerWaalsContact C-N 3.33Å; R955-G958 PolarHBondContact O-N 3.49Å; R955-E963 HydrophobicContact CG-CG 4.16Å; R955-E963 VanDerWaalsContact CG-OE1 3.24Å; R955-E963 WeakPolarHBondContact CG-OE1 3.32Å; R955-E963 IonicContact CZ-OE1 2.81Å; R955-E963 IonicContact NE-OE1 2.61Å; R955-E963 PolarHBondContact NE-OE1 3.2Å; R955-E963 IonicContact NH2-OE1 3.91Å |
| 956 | T | 84.3 | Confident | 84 | Confident | 113 Ų | 113 | 48.1 Ų | 48.1 | 69% | 0.693 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -69.5 | -29.5 | 176.7 | 58.3 | 0 | 0 | 0 | 0 | 113.4 | S952 L953 G958 | S952-T956 WeakPolarHBondContact O-CG2 3.33Å; S952-T956 PolarHBondContact O-N 3.12Å; S952-T956 VanDerWaalsContact O-N 3.11Å; L953-T956 WeakPolarHBondContact CA-OG1 3.45Å; L953-T956 PolarHBondContact O-N 3.45Å; L953-T956 PolarHBondContact O-OG1 3.13Å; T956-G958 VanDerWaalsContact C-N 3.3Å; T956-G958 PolarHBondContact O-N 2.96Å |
| 957 | A | 81.9 | Confident | 83.9 | Confident | 31 Ų | 31 | 46.9 Ų | 46.9 | 26% | 0.256 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -73.5 | -21 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I924 L953 A954 R955 V959 | I924-A957 HydrophobicContact CD1-CB 4.14Å; L953-A957 WeakPolarHBondContact O-CB 3.31Å; L953-A957 PolarHBondContact O-N 3.09Å; A954-A957 PolarHBondContact O-N 2.99Å; R955-A957 VanDerWaalsContact C-N 3.33Å; A957-V959 PolarHBondContact O-N 3.33Å |
| 958 | G | 79.4 | Confident | 83.5 | Confident | 67 Ų | 67 | 47.5 Ų | 47.5 | 69% | 0.691 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | 10.7 | 179 | 0 | 0 | 0 | 0 | 0 | 114.7 | A954 R955 T956 | A954-G958 PolarHBondContact O-N 2.94Å; R955-G958 PolarHBondContact O-N 3.49Å; T956-G958 VanDerWaalsContact C-N 3.3Å; T956-G958 PolarHBondContact O-N 2.96Å |
| 959 | V | 79.6 | Confident | 82.9 | Confident | 49 Ų | 49 | 41.5 Ų | 41.5 | 30% | 0.297 | 24% | 0.241 | S | C | . | . | trans | -94.5 | 103.3 | 179.2 | -175.9 | 0 | 0 | 0 | 0 | 109.3 | A957 H961 H962 E963 | A957-V959 PolarHBondContact O-N 3.33Å; V959-H961 HydrophobicContact CG1-CB 4.34Å; V959-H961 PolarHBondContact O-N 3.35Å; V959-H961 VanDerWaalsContact O-N 3.15Å; V959-H962 HydrophobicContact CB-CB 4.47Å; V959-H962 PolarHBondContact O-N 2.76Å; V959-E963 PolarHBondContact O-N 3.01Å | ||
| 960 | A | 80.8 | Confident | 82.6 | Confident | 19 Ų | 19 | 38.4 Ų | 38.4 | 16% | 0.157 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.1 | -32 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | E963 L964 L990 Q994 | A960-E963 PolarHBondContact O-N 3.42Å; A960-L964 VanDerWaalsContact O-CB 3.31Å; A960-L964 WeakPolarHBondContact O-CB 3.32Å; A960-L964 PolarHBondContact O-N 3.45Å; A960-L990 HydrophobicContact CB-CD2 4.26Å; A960-L990 WeakPolarHBondContact O-CD2 3.39Å; A960-Q994 HydrophobicContact CB-CG 3.6Å |
| 961 | H | 81.3 | Confident | 81.9 | Confident | 90 Ų | 90 | 38 Ų | 38 | 42% | 0.417 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.2 | -44 | 175 | -178 | 71.5 | 0 | 0 | 0 | 112.6 | V959 L964 C965 Y996 | V959-H961 HydrophobicContact CG1-CB 4.34Å; V959-H961 PolarHBondContact O-N 3.35Å; V959-H961 VanDerWaalsContact O-N 3.15Å; H961-L964 PolarHBondContact O-N 2.83Å; H961-C965 PolarHBondContact O-N 3.02Å; H961-C965 PolarHBondContact O-SG 3.2Å; H961-C965 VanDerWaalsContact O-SG 3.39Å; H961-Y996 HydrophobicContact CB-CE2 4.12Å |
| 962 | H | 82 | Confident | 80.9 | Confident | 26 Ų | 26 | 41.4 Ų | 41.4 | 12% | 0.12 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.4 | -38.2 | 178.6 | -72.7 | -45.8 | 0 | 0 | 0 | 112.2 | I924 A954 V959 L964 A966 | I924-H962 HydrophobicContact CD1-CB 3.88Å; I924-H962 HydrophobicContact CG2-CB 4.15Å; A954-H962 HydrophobicContact CB-CB 3.97Å; V959-H962 HydrophobicContact CB-CB 4.47Å; V959-H962 PolarHBondContact O-N 2.76Å; H962-L964 VanDerWaalsContact C-N 3.33Å; H962-A966 WeakPolarHBondContact O-CB 3.28Å; H962-A966 PolarHBondContact O-N 2.66Å |
| 963 | E | 85.7 | Confident | 79.9 | Confident | 38 Ų | 38 | 41 Ų | 41 | 18% | 0.178 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.5 | -44 | 173.9 | -177.1 | 170.5 | -168.3 | 0 | 0 | 110.5 | L951 A954 R955 V959 A960 A966 L967 L990 | L951-E963 HydrophobicContact CD1-CG 4.11Å; A954-E963 HydrophobicContact CB-CB 4.38Å; R955-E963 HydrophobicContact CG-CG 4.16Å; R955-E963 VanDerWaalsContact CG-OE1 3.24Å; R955-E963 WeakPolarHBondContact CG-OE1 3.32Å; R955-E963 IonicContact CZ-OE1 2.81Å; R955-E963 IonicContact NE-OE1 2.61Å; R955-E963 PolarHBondContact NE-OE1 3.2Å; R955-E963 IonicContact NH2-OE1 3.91Å; V959-E963 PolarHBondContact O-N 3.01Å; A960-E963 PolarHBondContact O-N 3.42Å; E963-A966 PolarHBondContact O-N 3.09Å; E963-L967 HydrophobicContact CG-CD1 4.08Å; E963-L967 HydrophobicContact CG-CG 4.37Å; E963-L967 WeakPolarHBondContact O-CG 3.34Å; E963-L967 PolarHBondContact O-N 3.42Å; E963-L990 HydrophobicContact CB-CD1 4.37Å; E963-L990 HydrophobicContact CG-CD1 3.89Å |
| 964 | L | 84.3 | Confident | 78.9 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.1 | -48.5 | 179 | -170.4 | 55.9 | 0 | 0 | 0 | 112.6 | A960 H961 H962 A966 L967 I968 A987 L990 A991 Y996 A999 | A960-L964 VanDerWaalsContact O-CB 3.31Å; A960-L964 WeakPolarHBondContact O-CB 3.32Å; A960-L964 PolarHBondContact O-N 3.45Å; H961-L964 PolarHBondContact O-N 2.83Å; H962-L964 VanDerWaalsContact C-N 3.33Å; L964-A966 VanDerWaalsContact C-N 3.32Å; L964-A966 PolarHBondContact O-N 3.06Å; L964-L967 PolarHBondContact O-N 3.36Å; L964-I968 HydrophobicContact CD1-CD1 4.45Å; L964-I968 HydrophobicContact CG-CD1 4.23Å; L964-I968 VanDerWaalsContact O-CG1 3.32Å; L964-I968 WeakPolarHBondContact O-CG1 3.21Å; L964-I968 PolarHBondContact O-N 3.39Å; L964-A987 HydrophobicContact CD1-CB 3.97Å; L964-A987 WeakPolarHBondContact CD1-O 3.42Å; L964-L990 HydrophobicContact CB-CD2 3.67Å; L964-L990 HydrophobicContact CD1-CB 4.47Å; L964-L990 HydrophobicContact CD1-CD2 3.94Å; L964-L990 HydrophobicContact CD2-CD2 4.37Å; L964-L990 HydrophobicContact CG-CD2 4.22Å; L964-A991 HydrophobicContact CD1-CB 3.85Å; L964-A991 HydrophobicContact CD2-CB 3.78Å; L964-A991 HydrophobicContact CG-CB 4.48Å; L964-Y996 HydrophobicContact CD2-CD2 3.62Å; L964-Y996 HydrophobicContact CD2-CG 4.29Å; L964-A999 HydrophobicContact CD2-CB 3.29Å; L964-A999 HydrophobicContact CG-CB 3.92Å |
| 965 | C | 79.8 | Confident | 77.9 | Confident | 40 Ų | 40 | 44.5 Ų | 44.5 | 27% | 0.27 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.5 | -39.6 | 176.2 | -66.9 | 0 | 0 | 0 | 0 | 111.9 | H961 I968 D969 | H961-C965 PolarHBondContact O-N 3.02Å; H961-C965 PolarHBondContact O-SG 3.2Å; H961-C965 VanDerWaalsContact O-SG 3.39Å; C965-I968 PolarHBondContact O-N 2.9Å; C965-D969 WeakPolarHBondContact O-CB 3.13Å; C965-D969 PolarHBondContact O-N 3.17Å; C965-D969 VanDerWaalsContact O-OD2 3.1Å |
| 966 | A | 82.7 | Confident | 77.1 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.008 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.4 | -39.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R950 L951 H962 E963 L964 D969 V970 | R950-A966 HydrophobicContact CG-CB 4.23Å; L951-A966 HydrophobicContact CB-CB 4.17Å; L951-A966 HydrophobicContact CD1-CB 4.01Å; H962-A966 WeakPolarHBondContact O-CB 3.28Å; H962-A966 PolarHBondContact O-N 2.66Å; E963-A966 PolarHBondContact O-N 3.09Å; L964-A966 VanDerWaalsContact C-N 3.32Å; L964-A966 PolarHBondContact O-N 3.06Å; A966-D969 PolarHBondContact O-N 2.83Å; A966-V970 WeakPolarHBondContact O-CB 3.29Å; A966-V970 WeakPolarHBondContact O-CG2 3.42Å; A966-V970 PolarHBondContact O-N 2.95Å |
| 967 | L | 84.1 | Confident | 76.3 | Confident | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.4 | -44.2 | 174.5 | -71.9 | 169.7 | 0 | 0 | 0 | 111.4 | L951 E963 L964 V970 A971 V983 A987 L990 | L951-L967 HydrophobicContact CD1-CD2 3.64Å; L951-L967 HydrophobicContact CD1-CG 3.74Å; L951-L967 HydrophobicContact CD2-CD2 3.91Å; L951-L967 HydrophobicContact CG-CD2 4.45Å; E963-L967 HydrophobicContact CG-CD1 4.08Å; E963-L967 HydrophobicContact CG-CG 4.37Å; E963-L967 WeakPolarHBondContact O-CG 3.34Å; E963-L967 PolarHBondContact O-N 3.42Å; L964-L967 PolarHBondContact O-N 3.36Å; L967-V970 PolarHBondContact O-N 2.96Å; L967-A971 WeakPolarHBondContact O-CB 3.42Å; L967-A971 PolarHBondContact O-N 3.44Å; L967-V983 HydrophobicContact CB-CG1 4.22Å; L967-V983 HydrophobicContact CD2-CG1 3.98Å; L967-V983 WeakPolarHBondContact O-CG1 3.38Å; L967-A987 HydrophobicContact CB-CB 3.88Å; L967-A987 HydrophobicContact CD1-CB 4.39Å; L967-L990 HydrophobicContact CD1-CD1 4.42Å |
| 968 | I | 75.4 | Confident | 76.1 | Confident | 19 Ų | 19 | 41.1 Ų | 41.1 | 10% | 0.097 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.3 | -48.1 | 176.5 | -68.1 | 168.7 | 0 | 0 | 0 | 110.2 | L964 C965 V970 A971 Y972 A987 A999 | L964-I968 HydrophobicContact CD1-CD1 4.45Å; L964-I968 HydrophobicContact CG-CD1 4.23Å; L964-I968 VanDerWaalsContact O-CG1 3.32Å; L964-I968 WeakPolarHBondContact O-CG1 3.21Å; L964-I968 PolarHBondContact O-N 3.39Å; C965-I968 PolarHBondContact O-N 2.9Å; I968-V970 VanDerWaalsContact C-N 3.33Å; I968-V970 PolarHBondContact O-N 2.89Å; I968-A971 WeakPolarHBondContact O-CB 3.46Å; I968-A971 PolarHBondContact O-N 3.38Å; I968-A971 VanDerWaalsContact O-N 3.14Å; I968-Y972 HydrophobicContact CG2-CD2 3.73Å; I968-Y972 HydrophobicContact CG2-CE2 3.6Å; I968-Y972 VanDerWaalsContact O-CD2 3.27Å; I968-Y972 WeakPolarHBondContact O-CD2 3.47Å; I968-Y972 PolarHBondContact O-N 2.99Å; I968-A987 HydrophobicContact CG1-CB 4.24Å; I968-A999 HydrophobicContact CD1-CB 4.18Å |
| 969 | D | 73.1 | Confident | 75.9 | Confident | 19 Ų | 19 | 41.6 Ų | 41.6 | 10% | 0.102 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.8 | -35.5 | 179.9 | -66.2 | -34.3 | 0 | 0 | 0 | 112.1 | L947 R950 C965 A966 M973 | L947-D969 HydrophobicContact CD2-CB 3.88Å; R950-D969 IonicContact CZ-OD2 2.7Å; R950-D969 IonicContact NH1-OD2 3.95Å; R950-D969 PolarHBondContact NH1-OD2 3.47Å; R950-D969 IonicContact NH2-OD2 3.06Å; R950-D969 PolarHBondContact NH2-OD2 3.36Å; C965-D969 WeakPolarHBondContact O-CB 3.13Å; C965-D969 PolarHBondContact O-N 3.17Å; C965-D969 VanDerWaalsContact O-OD2 3.1Å; A966-D969 PolarHBondContact O-N 2.83Å; D969-M973 WeakPolarHBondContact O-CG 3.33Å; D969-M973 PolarHBondContact O-N 3.47Å |
| 970 | V | 78.8 | Confident | 75.5 | Confident | 20 Ų | 20 | 39.2 Ų | 39.2 | 12% | 0.121 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.5 | -40.6 | 172.5 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | L947 A966 L967 I968 M973 S974 V983 | L947-V970 HydrophobicContact CB-CG2 3.8Å; A966-V970 WeakPolarHBondContact O-CB 3.29Å; A966-V970 WeakPolarHBondContact O-CG2 3.42Å; A966-V970 PolarHBondContact O-N 2.95Å; L967-V970 PolarHBondContact O-N 2.96Å; I968-V970 VanDerWaalsContact C-N 3.33Å; I968-V970 PolarHBondContact O-N 2.89Å; V970-M973 PolarHBondContact O-N 2.74Å; V970-S974 PolarHBondContact O-N 3.07Å; V970-S974 VanDerWaalsContact O-N 3.17Å; V970-S974 PolarHBondContact O-OG 2.99Å; V970-V983 HydrophobicContact CB-CG1 4.24Å; V970-V983 HydrophobicContact CG1-CG1 4.11Å; V970-V983 HydrophobicContact CG1-CG2 4.23Å |
| 971 | A | 72.9 | Confident | 75.5 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 2% | 0.017 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.6 | -48.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | L967 I968 M973 S974 V983 A984 Y1006 | L967-A971 WeakPolarHBondContact O-CB 3.42Å; L967-A971 PolarHBondContact O-N 3.44Å; I968-A971 WeakPolarHBondContact O-CB 3.46Å; I968-A971 PolarHBondContact O-N 3.38Å; I968-A971 VanDerWaalsContact O-N 3.14Å; A971-M973 PolarHBondContact O-N 3.4Å; A971-S974 PolarHBondContact O-N 3.11Å; A971-V983 HydrophobicContact CB-CB 4.23Å; A971-V983 HydrophobicContact CB-CG1 3.95Å; A971-A984 HydrophobicContact CB-CB 4.46Å; A971-Y1006 VanDerWaalsContact C-OH 3.27Å; A971-Y1006 HydrophobicContact CB-CD1 3.93Å; A971-Y1006 HydrophobicContact CB-CE1 3.62Å; A971-Y1006 WeakPolarHBondContact O-CE1 3.31Å; A971-Y1006 VanDerWaalsContact O-CZ 3.27Å; A971-Y1006 PolarHBondContact O-OH 2.78Å |
| 972 | Y | 66.5 | Low | 75.7 | Confident | 93 Ų | 93 | 38.1 Ų | 38.1 | 37% | 0.365 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -58.3 | -25.8 | 178 | -88.1 | -75.2 | 0 | 0 | 0 | 114.6 | I968 Y1006 | I968-Y972 HydrophobicContact CG2-CD2 3.73Å; I968-Y972 HydrophobicContact CG2-CE2 3.6Å; I968-Y972 VanDerWaalsContact O-CD2 3.27Å; I968-Y972 WeakPolarHBondContact O-CD2 3.47Å; I968-Y972 PolarHBondContact O-N 2.99Å; Y972-Y1006 VanDerWaalsContact CA-OH 3.3Å; Y972-Y1006 WeakPolarHBondContact CA-OH 3.28Å; Y972-Y1006 AromaticContact CD1-CD2 3.81Å; Y972-Y1006 HydrophobicContact CD1-CD2 3.81Å; Y972-Y1006 AromaticContact CD1-CE2 3.5Å; Y972-Y1006 HydrophobicContact CD1-CE2 3.5Å; Y972-Y1006 VanDerWaalsContact CD1-CE2 3.5Å; Y972-Y1006 HydrophobicContact CD2-CD2 4.49Å; Y972-Y1006 AromaticContact CE1-CD2 3.51Å; Y972-Y1006 HydrophobicContact CE1-CD2 3.51Å; Y972-Y1006 AromaticContact CE1-CE2 3.68Å; Y972-Y1006 HydrophobicContact CE1-CE2 3.68Å; Y972-Y1006 HydrophobicContact CE2-CD2 4.21Å; Y972-Y1006 HydrophobicContact CG-CD2 4.28Å; Y972-Y1006 AromaticContact CG-CE2 3.98Å; Y972-Y1006 HydrophobicContact CG-CE2 3.98Å; Y972-Y1006 AromaticContact CZ-CD2 3.7Å |
| 973 | M | 66.2 | Low | 75.8 | Confident | 55 Ų | 55 | 38 Ų | 38 | 27% | 0.271 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | 5 | -170.8 | -62.1 | -62.6 | -63.7 | 0 | 0 | 113.2 | Y935 C943 L947 D969 V970 A971 | Y935-M973 HydrophobicContact CD2-CE 3.09Å; Y935-M973 HydrophobicContact CD2-SD 4.21Å; Y935-M973 HydrophobicContact CE2-CE 3.51Å; Y935-M973 HydrophobicContact CE2-SD 4.2Å; Y935-M973 HydrophobicContact CG-CE 3.74Å; C943-M973 HydrophobicContact CB-CE 4.4Å; C943-M973 WeakPolarHBondContact SG-CE 3.43Å; L947-M973 HydrophobicContact CD1-CB 3.66Å; L947-M973 HydrophobicContact CD1-CG 3.58Å; D969-M973 WeakPolarHBondContact O-CG 3.33Å; D969-M973 PolarHBondContact O-N 3.47Å; V970-M973 PolarHBondContact O-N 2.74Å; A971-M973 PolarHBondContact O-N 3.4Å |
| 974 | S | 66.1 | Low | 75.6 | Confident | 19 Ų | 19 | 36.4 Ų | 36.4 | 13% | 0.133 | 20% | 0.201 | C | C | . | . | trans | -79.2 | 126.9 | -178.2 | -69.2 | 0 | 0 | 0 | 0 | 110.8 | V970 A971 N976 L1173 | V970-S974 PolarHBondContact O-N 3.07Å; V970-S974 VanDerWaalsContact O-N 3.17Å; V970-S974 PolarHBondContact O-OG 2.99Å; A971-S974 PolarHBondContact O-N 3.11Å; S974-N976 VanDerWaalsContact C-N 3.26Å; S974-N976 PolarHBondContact O-N 2.75Å; S974-L1173 WeakPolarHBondContact O-CD2 3.43Å | ||
| 975 | E | 63.9 | Low | 75.7 | Confident | 92 Ų | 92 | 39 Ų | 39 | 43% | 0.43 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -69 | -26.6 | -179.9 | -67.2 | -174 | 167.5 | 0 | 0 | 113.5 | L1173 | E975-L1173 CarbonylContact C-O 3.54Å; E975-L1173 VanDerWaalsContact C-O 3.29Å; E975-L1173 WeakPolarHBondContact CA-O 3.38Å |
| 976 | N | 70.2 | Confident | 76.1 | Confident | 92 Ų | 92 | 39.9 Ų | 39.9 | 49% | 0.492 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -97.7 | 120.7 | 179.6 | -67 | -34.5 | 0 | 0 | 0 | 110.1 | S974 S978 D979 A980 | S974-N976 VanDerWaalsContact C-N 3.26Å; S974-N976 PolarHBondContact O-N 2.75Å; N976-S978 PolarHBondContact O-N 2.96Å; N976-D979 HydrophobicContact CB-CB 4Å; N976-D979 WeakPolarHBondContact CB-OD2 3.45Å; N976-D979 PolarHBondContact ND2-OD2 2.93Å; N976-D979 PolarHBondContact O-N 3.21Å; N976-A980 WeakPolarHBondContact O-CB 3.33Å; N976-A980 PolarHBondContact O-N 3.15Å |
| 977 | L | 68.4 | Low | 76.2 | Confident | 43 Ų | 43 | 39.9 Ų | 39.9 | 23% | 0.225 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -52.6 | -37.4 | 172.7 | -79.2 | 161.8 | 0 | 0 | 0 | 112.8 | A980 L981 C1010 A1013 E1014 L1173 | L977-A980 WeakPolarHBondContact O-CB 3.44Å; L977-A980 PolarHBondContact O-N 2.64Å; L977-L981 WeakPolarHBondContact O-CB 3.48Å; L977-L981 WeakPolarHBondContact O-CG 3.4Å; L977-L981 PolarHBondContact O-N 2.67Å; L977-C1010 HydrophobicContact CD2-CB 4.04Å; L977-A1013 HydrophobicContact CD1-CB 4.29Å; L977-A1013 HydrophobicContact CD2-CB 3.9Å; L977-E1014 HydrophobicContact CB-CG 4.23Å; L977-E1014 HydrophobicContact CD1-CG 4.03Å; L977-L1173 HydrophobicContact CD2-CD1 3.5Å; L977-L1173 VanDerWaalsContact CD2-CD1 3.5Å; L977-L1173 HydrophobicContact CG-CD1 4.28Å |
| 978 | S | 76.5 | Confident | 76.3 | Confident | 74 Ų | 74 | 39.8 Ų | 39.8 | 52% | 0.517 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.7 | -40.7 | 177.3 | 60.4 | 0 | 0 | 0 | 0 | 112.9 | N976 S982 | N976-S978 PolarHBondContact O-N 2.96Å; S978-S982 WeakPolarHBondContact O-CB 3.47Å; S978-S982 PolarHBondContact O-N 3.09Å |
| 979 | D | 75.5 | Confident | 76.9 | Confident | 77 Ų | 77 | 44.9 Ų | 44.9 | 41% | 0.412 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -71.5 | -42.6 | 178.6 | -64.9 | -19.7 | 0 | 0 | 0 | 109.2 | N976 L981 S982 V983 | N976-D979 HydrophobicContact CB-CB 4Å; N976-D979 WeakPolarHBondContact CB-OD2 3.45Å; N976-D979 PolarHBondContact ND2-OD2 2.93Å; N976-D979 PolarHBondContact O-N 3.21Å; D979-L981 PolarHBondContact O-N 2.71Å; D979-S982 PolarHBondContact O-N 3.35Å; D979-S982 VanDerWaalsContact O-N 3.15Å; D979-S982 PolarHBondContact O-OG 3.15Å; D979-V983 VanDerWaalsContact O-CG2 3.28Å; D979-V983 WeakPolarHBondContact O-CG2 3.46Å; D979-V983 PolarHBondContact O-N 2.54Å |
| 980 | A | 72.2 | Confident | 77.6 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.1 | -46.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | N976 L977 V983 A984 Y1006 L1173 | N976-A980 WeakPolarHBondContact O-CB 3.33Å; N976-A980 PolarHBondContact O-N 3.15Å; L977-A980 WeakPolarHBondContact O-CB 3.44Å; L977-A980 PolarHBondContact O-N 2.64Å; A980-V983 PolarHBondContact O-N 3.05Å; A980-A984 VanDerWaalsContact O-CB 3.27Å; A980-A984 WeakPolarHBondContact O-CB 3.43Å; A980-A984 PolarHBondContact O-N 2.76Å; A980-Y1006 HydrophobicContact CB-CE1 3.99Å; A980-L1173 HydrophobicContact CB-CD2 4.28Å |
| 981 | L | 80.6 | Confident | 77.9 | Confident | 23 Ų | 23 | 44.5 Ų | 44.5 | 12% | 0.12 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.2 | -43.2 | 174.4 | -81.2 | 169.9 | 0 | 0 | 0 | 112.4 | L977 D979 V983 A984 D985 M1007 C1010 K1011 E1014 | L977-L981 WeakPolarHBondContact O-CB 3.48Å; L977-L981 WeakPolarHBondContact O-CG 3.4Å; L977-L981 PolarHBondContact O-N 2.67Å; D979-L981 PolarHBondContact O-N 2.71Å; L981-V983 VanDerWaalsContact C-N 3.34Å; L981-V983 PolarHBondContact O-N 2.95Å; L981-A984 PolarHBondContact O-N 3.31Å; L981-D985 WeakPolarHBondContact O-CB 3.26Å; L981-D985 PolarHBondContact O-N 2.94Å; L981-M1007 HydrophobicContact CD2-CB 4.38Å; L981-M1007 HydrophobicContact CD2-CG 4.3Å; L981-C1010 HydrophobicContact CD1-CB 4.32Å; L981-C1010 HydrophobicContact CD2-CB 3.6Å; L981-C1010 HydrophobicContact CG-CB 3.69Å; L981-K1011 HydrophobicContact CD2-CG 4.35Å; L981-E1014 VanDerWaalsContact CD1-OE1 3.31Å; L981-E1014 WeakPolarHBondContact CD1-OE1 3.45Å; L981-E1014 WeakPolarHBondContact CD1-OE2 3.46Å |
| 982 | S | 84.5 | Confident | 78.6 | Confident | 63 Ų | 63 | 49.3 Ų | 49.3 | 44% | 0.441 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 178.5 | 79.8 | 0 | 0 | 0 | 0 | 111.7 | S978 D979 D985 T986 | S978-S982 WeakPolarHBondContact O-CB 3.47Å; S978-S982 PolarHBondContact O-N 3.09Å; D979-S982 PolarHBondContact O-N 3.35Å; D979-S982 VanDerWaalsContact O-N 3.15Å; D979-S982 PolarHBondContact O-OG 3.15Å; S982-D985 PolarHBondContact O-N 3.48Å; S982-T986 WeakPolarHBondContact O-CG2 3.38Å; S982-T986 PolarHBondContact O-N 3.44Å; S982-T986 VanDerWaalsContact O-N 3.07Å |
| 983 | V | 83.6 | Confident | 79.5 | Confident | 24 Ų | 24 | 48.3 Ų | 48.3 | 15% | 0.145 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.4 | -42.6 | 178.3 | 177 | 0 | 0 | 0 | 0 | 110.1 | L967 V970 A971 D979 A980 L981 D985 T986 A987 | L967-V983 HydrophobicContact CB-CG1 4.22Å; L967-V983 HydrophobicContact CD2-CG1 3.98Å; L967-V983 WeakPolarHBondContact O-CG1 3.38Å; V970-V983 HydrophobicContact CB-CG1 4.24Å; V970-V983 HydrophobicContact CG1-CG1 4.11Å; V970-V983 HydrophobicContact CG1-CG2 4.23Å; A971-V983 HydrophobicContact CB-CB 4.23Å; A971-V983 HydrophobicContact CB-CG1 3.95Å; D979-V983 VanDerWaalsContact O-CG2 3.28Å; D979-V983 WeakPolarHBondContact O-CG2 3.46Å; D979-V983 PolarHBondContact O-N 2.54Å; A980-V983 PolarHBondContact O-N 3.05Å; L981-V983 VanDerWaalsContact C-N 3.34Å; L981-V983 PolarHBondContact O-N 2.95Å; V983-D985 VanDerWaalsContact C-N 3.34Å; V983-D985 PolarHBondContact O-N 3.37Å; V983-T986 PolarHBondContact O-N 3.38Å; V983-T986 VanDerWaalsContact O-N 3.17Å; V983-T986 PolarHBondContact O-OG1 3.01Å; V983-A987 PolarHBondContact O-N 2.93Å |
| 984 | A | 81.3 | Confident | 80.4 | Confident | 3 Ų | 3 | 50 Ų | 50 | 3% | 0.025 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.5 | -39.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A971 A980 L981 A987 L988 Y1006 M1007 | A971-A984 HydrophobicContact CB-CB 4.46Å; A980-A984 VanDerWaalsContact O-CB 3.27Å; A980-A984 WeakPolarHBondContact O-CB 3.43Å; A980-A984 PolarHBondContact O-N 2.76Å; L981-A984 PolarHBondContact O-N 3.31Å; A984-A987 WeakPolarHBondContact O-CB 3.35Å; A984-A987 PolarHBondContact O-N 3.26Å; A984-L988 WeakPolarHBondContact O-CB 3.31Å; A984-L988 PolarHBondContact O-N 2.92Å; A984-Y1006 HydrophobicContact CB-CD1 4.05Å; A984-M1007 HydrophobicContact CB-CG 3.69Å; A984-M1007 HydrophobicContact CB-SD 4.45Å |
| 985 | D | 87.1 | Confident | 81.2 | Confident | 55 Ų | 55 | 56.5 Ų | 56.5 | 29% | 0.294 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 173.4 | 178.2 | 57.1 | 0 | 0 | 0 | 111.8 | L981 S982 V983 L988 K989 | L981-D985 WeakPolarHBondContact O-CB 3.26Å; L981-D985 PolarHBondContact O-N 2.94Å; S982-D985 PolarHBondContact O-N 3.48Å; V983-D985 VanDerWaalsContact C-N 3.34Å; V983-D985 PolarHBondContact O-N 3.37Å; D985-L988 PolarHBondContact O-N 3.28Å; D985-K989 WeakPolarHBondContact O-CG 3.47Å; D985-K989 PolarHBondContact O-N 3Å; D985-K989 IonicContact OD1-NZ 2.93Å; D985-K989 VanDerWaalsContact OD2-CE 3.28Å; D985-K989 WeakPolarHBondContact OD2-CE 3.25Å; D985-K989 IonicContact OD2-NZ 2.93Å; D985-K989 PolarHBondContact OD2-NZ 3.35Å |
| 986 | T | 88 | Confident | 82.1 | Confident | 59 Ų | 59 | 56.2 Ų | 56.2 | 36% | 0.362 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.8 | -39.3 | 172.4 | 64.7 | 0 | 0 | 0 | 0 | 112.7 | S982 V983 K989 L990 | S982-T986 WeakPolarHBondContact O-CG2 3.38Å; S982-T986 PolarHBondContact O-N 3.44Å; S982-T986 VanDerWaalsContact O-N 3.07Å; V983-T986 PolarHBondContact O-N 3.38Å; V983-T986 VanDerWaalsContact O-N 3.17Å; V983-T986 PolarHBondContact O-OG1 3.01Å; T986-K989 PolarHBondContact O-N 3.01Å; T986-L990 WeakPolarHBondContact O-CB 3.41Å; T986-L990 PolarHBondContact O-N 2.97Å; T986-L990 VanDerWaalsContact O-N 3.09Å |
| 987 | A | 85.1 | Confident | 82.6 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.7 | -44 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111 | L964 L967 I968 V983 A984 L990 A991 A1003 | L964-A987 HydrophobicContact CD1-CB 3.97Å; L964-A987 WeakPolarHBondContact CD1-O 3.42Å; L967-A987 HydrophobicContact CB-CB 3.88Å; L967-A987 HydrophobicContact CD1-CB 4.39Å; I968-A987 HydrophobicContact CG1-CB 4.24Å; V983-A987 PolarHBondContact O-N 2.93Å; A984-A987 WeakPolarHBondContact O-CB 3.35Å; A984-A987 PolarHBondContact O-N 3.26Å; A987-L990 PolarHBondContact O-N 3.44Å; A987-A991 VanDerWaalsContact O-CB 3.31Å; A987-A991 WeakPolarHBondContact O-CB 3.38Å; A987-A991 PolarHBondContact O-N 3.12Å; A987-A1003 HydrophobicContact CB-CB 4.49Å |
| 988 | L | 86.9 | Confident | 82.9 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.6 | -46.6 | 177.3 | -178.9 | 62.6 | 0 | 0 | 0 | 111.8 | A984 D985 L990 A991 R992 Q1000 A1003 L1004 M1007 | A984-L988 WeakPolarHBondContact O-CB 3.31Å; A984-L988 PolarHBondContact O-N 2.92Å; D985-L988 PolarHBondContact O-N 3.28Å; L988-L990 VanDerWaalsContact C-N 3.31Å; L988-L990 PolarHBondContact O-N 3.3Å; L988-A991 PolarHBondContact O-N 3.21Å; L988-R992 WeakPolarHBondContact O-CB 3.49Å; L988-R992 WeakPolarHBondContact O-CG 3.5Å; L988-R992 PolarHBondContact O-N 2.88Å; L988-Q1000 HydrophobicContact CD1-CB 4.36Å; L988-A1003 HydrophobicContact CB-CB 4.16Å; L988-A1003 HydrophobicContact CD1-CB 4.44Å; L988-L1004 HydrophobicContact CD1-CD1 4.37Å; L988-L1004 HydrophobicContact CD1-CD2 3.99Å; L988-L1004 HydrophobicContact CD1-CG 3.87Å; L988-L1004 HydrophobicContact CD2-CD2 3.69Å; L988-L1004 HydrophobicContact CD2-CG 4.46Å; L988-L1004 HydrophobicContact CG-CD2 4.5Å; L988-M1007 HydrophobicContact CD2-SD 3.95Å |
| 989 | K | 88.3 | Confident | 83 | Confident | 126 Ų | 126 | 53.2 Ų | 53.2 | 55% | 0.548 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58.6 | -42.6 | 176.4 | -75.4 | 167.9 | 179.1 | 162.6 | 0 | 111.9 | D985 T986 A993 | D985-K989 WeakPolarHBondContact O-CG 3.47Å; D985-K989 PolarHBondContact O-N 3Å; D985-K989 IonicContact OD1-NZ 2.93Å; D985-K989 VanDerWaalsContact OD2-CE 3.28Å; D985-K989 WeakPolarHBondContact OD2-CE 3.25Å; D985-K989 IonicContact OD2-NZ 2.93Å; D985-K989 PolarHBondContact OD2-NZ 3.35Å; T986-K989 PolarHBondContact O-N 3.01Å; K989-A993 PolarHBondContact O-N 3.44Å; K989-A993 VanDerWaalsContact O-N 3.08Å |
| 990 | L | 87.6 | Confident | 83.4 | Confident | 31 Ų | 31 | 50 Ų | 50 | 16% | 0.162 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -71.7 | -40.2 | 179.2 | -168.2 | 145.3 | 0 | 0 | 0 | 112 | A960 E963 L964 L967 T986 A987 L988 R992 A993 Q994 | A960-L990 HydrophobicContact CB-CD2 4.26Å; A960-L990 WeakPolarHBondContact O-CD2 3.39Å; E963-L990 HydrophobicContact CB-CD1 4.37Å; E963-L990 HydrophobicContact CG-CD1 3.89Å; L964-L990 HydrophobicContact CB-CD2 3.67Å; L964-L990 HydrophobicContact CD1-CB 4.47Å; L964-L990 HydrophobicContact CD1-CD2 3.94Å; L964-L990 HydrophobicContact CD2-CD2 4.37Å; L964-L990 HydrophobicContact CG-CD2 4.22Å; L967-L990 HydrophobicContact CD1-CD1 4.42Å; T986-L990 WeakPolarHBondContact O-CB 3.41Å; T986-L990 PolarHBondContact O-N 2.97Å; T986-L990 VanDerWaalsContact O-N 3.09Å; A987-L990 PolarHBondContact O-N 3.44Å; L988-L990 VanDerWaalsContact C-N 3.31Å; L988-L990 PolarHBondContact O-N 3.3Å; L990-R992 VanDerWaalsContact C-N 3.32Å; L990-R992 PolarHBondContact O-N 3.16Å; L990-A993 PolarHBondContact O-N 3.3Å; L990-Q994 WeakPolarHBondContact O-CG 3.47Å; L990-Q994 PolarHBondContact O-N 2.62Å; L990-Q994 VanDerWaalsContact O-N 3.14Å |
| 991 | A | 85.2 | Confident | 83.9 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.9 | -36.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | L964 A987 L988 H995 Y996 A999 Q1000 | L964-A991 HydrophobicContact CD1-CB 3.85Å; L964-A991 HydrophobicContact CD2-CB 3.78Å; L964-A991 HydrophobicContact CG-CB 4.48Å; A987-A991 VanDerWaalsContact O-CB 3.31Å; A987-A991 WeakPolarHBondContact O-CB 3.38Å; A987-A991 PolarHBondContact O-N 3.12Å; L988-A991 PolarHBondContact O-N 3.21Å; A991-H995 PolarHBondContact O-N 3.39Å; A991-H995 VanDerWaalsContact O-N 3.14Å; A991-Y996 PolarHBondContact O-N 2.89Å; A991-A999 HydrophobicContact CB-CB 4.24Å; A991-Q1000 HydrophobicContact CB-CB 4.45Å; A991-Q1000 HydrophobicContact CB-CG 3.57Å; A991-Q1000 PolarHBondContact O-NE2 3.35Å |
| 992 | R | 86.1 | Confident | 83.5 | Confident | 104 Ų | 104 | 53.4 Ų | 53.4 | 39% | 0.392 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.3 | -44.9 | 172 | -76.8 | 179.9 | 175.1 | 156.2 | 5.7 | 111.7 | L988 L990 Q994 H995 Q1000 E1026 | L988-R992 WeakPolarHBondContact O-CB 3.49Å; L988-R992 WeakPolarHBondContact O-CG 3.5Å; L988-R992 PolarHBondContact O-N 2.88Å; L990-R992 VanDerWaalsContact C-N 3.32Å; L990-R992 PolarHBondContact O-N 3.16Å; R992-Q994 PolarHBondContact O-N 3.14Å; R992-H995 PolarHBondContact O-N 3.3Å; R992-Q1000 HydrophobicContact CG-CG 4.34Å; R992-E1026 IonicContact CZ-OE2 3.2Å; R992-E1026 IonicContact NH1-OE2 2.6Å; R992-E1026 IonicContact NH2-OE2 2.63Å; R992-E1026 PolarHBondContact NH2-OE2 2.81Å |
| 993 | A | 86.4 | Confident | 83.3 | Confident | 71 Ų | 71 | 50.5 Ų | 50.5 | 59% | 0.587 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -63.1 | -28.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | K989 L990 | K989-A993 PolarHBondContact O-N 3.44Å; K989-A993 VanDerWaalsContact O-N 3.08Å; L990-A993 PolarHBondContact O-N 3.3Å |
| 994 | Q | 85.1 | Confident | 83.3 | Confident | 90 Ų | 90 | 49.4 Ų | 49.4 | 42% | 0.421 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | 1.3 | -178.2 | -60.8 | -64 | -27.3 | 0 | 0 | 114.3 | A960 L990 R992 Y996 | A960-Q994 HydrophobicContact CB-CG 3.6Å; L990-Q994 WeakPolarHBondContact O-CG 3.47Å; L990-Q994 PolarHBondContact O-N 2.62Å; L990-Q994 VanDerWaalsContact O-N 3.14Å; R992-Q994 PolarHBondContact O-N 3.14Å; Q994-Y996 VanDerWaalsContact C-N 3.32Å; Q994-Y996 HydrophobicContact CB-CD2 3.53Å; Q994-Y996 HydrophobicContact CB-CE2 3.57Å; Q994-Y996 HydrophobicContact CB-CG 4.21Å; Q994-Y996 HydrophobicContact CG-CD2 4.39Å; Q994-Y996 HydrophobicContact CG-CE2 4.16Å; Q994-Y996 PolarHBondContact O-N 3.44Å |
| 995 | H | 82.8 | Confident | 83.1 | Confident | 156 Ų | 156 | 50.8 Ų | 50.8 | 72% | 0.722 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 37.2 | -175.1 | -58.3 | -75.7 | 0 | 0 | 0 | 114.7 | A991 R992 A997 | A991-H995 PolarHBondContact O-N 3.39Å; A991-H995 VanDerWaalsContact O-N 3.14Å; R992-H995 PolarHBondContact O-N 3.3Å; H995-A997 PolarHBondContact O-N 3.23Å |
| 996 | Y | 83 | Confident | 82.5 | Confident | 87 Ų | 87 | 48.6 Ų | 48.6 | 34% | 0.341 | 24% | 0.243 | S | C | . | . | trans | -90.9 | 87 | 176.7 | -68.7 | -42.1 | 0 | 0 | 0 | 112.4 | H961 L964 A991 Q994 D998 A999 Q1000 | H961-Y996 HydrophobicContact CB-CE2 4.12Å; L964-Y996 HydrophobicContact CD2-CD2 3.62Å; L964-Y996 HydrophobicContact CD2-CG 4.29Å; A991-Y996 PolarHBondContact O-N 2.89Å; Q994-Y996 VanDerWaalsContact C-N 3.32Å; Q994-Y996 HydrophobicContact CB-CD2 3.53Å; Q994-Y996 HydrophobicContact CB-CE2 3.57Å; Q994-Y996 HydrophobicContact CB-CG 4.21Å; Q994-Y996 HydrophobicContact CG-CD2 4.39Å; Q994-Y996 HydrophobicContact CG-CE2 4.16Å; Q994-Y996 PolarHBondContact O-N 3.44Å; Y996-D998 PolarHBondContact O-N 2.83Å; Y996-A999 PolarHBondContact O-N 2.8Å; Y996-Q1000 WeakPolarHBondContact O-CG 3.49Å; Y996-Q1000 PolarHBondContact O-N 3.35Å | ||
| 997 | A | 80.3 | Confident | 82.1 | Confident | 20 Ų | 20 | 46.9 Ų | 46.9 | 17% | 0.165 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.5 | -44.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | H995 A999 Q1000 L1001 N1034 L1036 | H995-A997 PolarHBondContact O-N 3.23Å; A997-A999 VanDerWaalsContact C-N 3.3Å; A997-A999 PolarHBondContact O-N 3.13Å; A997-Q1000 WeakPolarHBondContact O-CB 3.49Å; A997-Q1000 PolarHBondContact O-N 3.17Å; A997-L1001 PolarHBondContact O-N 3.47Å; A997-N1034 HydrophobicContact CB-CB 3.59Å; A997-L1036 HydrophobicContact CB-CD1 3.56Å; A997-L1036 HydrophobicContact CB-CG 4.33Å |
| 998 | D | 75.2 | Confident | 81.8 | Confident | 110 Ų | 110 | 47 Ų | 47 | 59% | 0.588 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -64.6 | -34.5 | 178.7 | -76.2 | -16 | 0 | 0 | 0 | 112.9 | Y996 K1002 | Y996-D998 PolarHBondContact O-N 2.83Å; D998-K1002 WeakPolarHBondContact O-CG 3.21Å; D998-K1002 PolarHBondContact O-N 3.32Å |
| 999 | A | 77.6 | Confident | 81 | Confident | 16 Ų | 16 | 50.3 Ų | 50.3 | 13% | 0.132 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -77.9 | -31.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L964 I968 A991 Y996 A997 A1003 | L964-A999 HydrophobicContact CD2-CB 3.29Å; L964-A999 HydrophobicContact CG-CB 3.92Å; I968-A999 HydrophobicContact CD1-CB 4.18Å; A991-A999 HydrophobicContact CB-CB 4.24Å; Y996-A999 PolarHBondContact O-N 2.8Å; A997-A999 VanDerWaalsContact C-N 3.3Å; A997-A999 PolarHBondContact O-N 3.13Å; A999-A1003 WeakPolarHBondContact O-CB 3.49Å; A999-A1003 PolarHBondContact O-N 3.3Å |
| 1000 | Q | 84.2 | Confident | 80.3 | Confident | 8 Ų | 8 | 44.3 Ų | 44.3 | 4% | 0.037 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60 | -49 | 167.8 | -67 | 169.6 | 11.5 | 0 | 0 | 110.2 | L988 A991 R992 Y996 A997 K1002 A1003 L1004 N1034 | L988-Q1000 HydrophobicContact CD1-CB 4.36Å; A991-Q1000 HydrophobicContact CB-CB 4.45Å; A991-Q1000 HydrophobicContact CB-CG 3.57Å; A991-Q1000 PolarHBondContact O-NE2 3.35Å; R992-Q1000 HydrophobicContact CG-CG 4.34Å; Y996-Q1000 WeakPolarHBondContact O-CG 3.49Å; Y996-Q1000 PolarHBondContact O-N 3.35Å; A997-Q1000 WeakPolarHBondContact O-CB 3.49Å; A997-Q1000 PolarHBondContact O-N 3.17Å; Q1000-K1002 PolarHBondContact O-N 2.87Å; Q1000-A1003 PolarHBondContact O-N 2.89Å; Q1000-L1004 VanDerWaalsContact O-CG 3.32Å; Q1000-L1004 WeakPolarHBondContact O-CG 3.32Å; Q1000-L1004 PolarHBondContact O-N 3.15Å; Q1000-N1034 PolarHBondContact OE1-ND2 2.97Å |
| 1001 | L | 82.6 | Confident | 79.9 | Confident | 5 Ų | 5 | 45 Ų | 45 | 3% | 0.026 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.2 | -47.8 | 177.6 | 178.6 | 60.5 | 0 | 0 | 0 | 111.7 | A997 A1003 L1004 E1005 I1027 K1038 A1039 V1042 | A997-L1001 PolarHBondContact O-N 3.47Å; L1001-A1003 PolarHBondContact O-N 2.79Å; L1001-L1004 PolarHBondContact O-N 2.95Å; L1001-E1005 HydrophobicContact CD1-CG 4.36Å; L1001-E1005 WeakPolarHBondContact O-CB 3.32Å; L1001-E1005 WeakPolarHBondContact O-CG 3.24Å; L1001-E1005 PolarHBondContact O-N 2.92Å; L1001-I1027 HydrophobicContact CD1-CG2 3.75Å; L1001-K1038 HydrophobicContact CD2-CG 4.33Å; L1001-A1039 HydrophobicContact CD1-CB 3.67Å; L1001-A1039 HydrophobicContact CD2-CB 3.99Å; L1001-A1039 HydrophobicContact CG-CB 4.36Å; L1001-V1042 HydrophobicContact CD1-CG1 4.43Å |
| 1002 | K | 73 | Confident | 79.3 | Confident | 90 Ų | 90 | 46.7 Ų | 46.7 | 39% | 0.391 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62 | -41.4 | 177.9 | -77.6 | -176.2 | 176.5 | -168.6 | 0 | 113.4 | D998 Q1000 Y1006 | D998-K1002 WeakPolarHBondContact O-CG 3.21Å; D998-K1002 PolarHBondContact O-N 3.32Å; Q1000-K1002 PolarHBondContact O-N 2.87Å; K1002-Y1006 WeakPolarHBondContact O-CB 3.36Å; K1002-Y1006 PolarHBondContact O-N 3.27Å; K1002-Y1006 VanDerWaalsContact O-N 3.09Å |
| 1003 | A | 79.3 | Confident | 78.3 | Confident | 3 Ų | 3 | 43.2 Ų | 43.2 | 3% | 0.025 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.9 | -42 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | A987 L988 A999 Q1000 L1001 Y1006 M1007 | A987-A1003 HydrophobicContact CB-CB 4.49Å; L988-A1003 HydrophobicContact CB-CB 4.16Å; L988-A1003 HydrophobicContact CD1-CB 4.44Å; A999-A1003 WeakPolarHBondContact O-CB 3.49Å; A999-A1003 PolarHBondContact O-N 3.3Å; Q1000-A1003 PolarHBondContact O-N 2.89Å; L1001-A1003 PolarHBondContact O-N 2.79Å; A1003-Y1006 PolarHBondContact O-N 3.2Å; A1003-M1007 VanDerWaalsContact O-CG 3.3Å; A1003-M1007 WeakPolarHBondContact O-CG 3.32Å; A1003-M1007 PolarHBondContact O-N 3.16Å |
| 1004 | L | 85.2 | Confident | 77.7 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.2 | -43.1 | 177 | -68.4 | 171.1 | 0 | 0 | 0 | 112.8 | L988 Q1000 L1001 Y1006 M1007 V1008 V1023 E1026 I1027 C1030 | L988-L1004 HydrophobicContact CD1-CD1 4.37Å; L988-L1004 HydrophobicContact CD1-CD2 3.99Å; L988-L1004 HydrophobicContact CD1-CG 3.87Å; L988-L1004 HydrophobicContact CD2-CD2 3.69Å; L988-L1004 HydrophobicContact CD2-CG 4.46Å; L988-L1004 HydrophobicContact CG-CD2 4.5Å; Q1000-L1004 VanDerWaalsContact O-CG 3.32Å; Q1000-L1004 WeakPolarHBondContact O-CG 3.32Å; Q1000-L1004 PolarHBondContact O-N 3.15Å; L1001-L1004 PolarHBondContact O-N 2.95Å; L1004-Y1006 PolarHBondContact O-N 3.46Å; L1004-M1007 HydrophobicContact CD2-SD 4.5Å; L1004-M1007 PolarHBondContact O-N 3.33Å; L1004-V1008 WeakPolarHBondContact O-CG2 3.14Å; L1004-V1008 PolarHBondContact O-N 3.01Å; L1004-V1023 HydrophobicContact CB-CG1 4.37Å; L1004-V1023 HydrophobicContact CD2-CG1 3.98Å; L1004-V1023 WeakPolarHBondContact O-CG1 3.33Å; L1004-E1026 HydrophobicContact CD1-CB 4.24Å; L1004-E1026 HydrophobicContact CD2-CB 3.72Å; L1004-I1027 HydrophobicContact CB-CD1 4.26Å; L1004-I1027 HydrophobicContact CB-CG1 3.57Å; L1004-I1027 HydrophobicContact CD1-CG1 4.16Å; L1004-I1027 HydrophobicContact CG-CG1 4.44Å; L1004-C1030 HydrophobicContact CD1-CB 3.82Å |
| 1005 | E | 76 | Confident | 77.1 | Confident | 31 Ų | 31 | 45.7 Ų | 45.7 | 15% | 0.145 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -54.1 | -44.1 | 172.2 | -83.7 | -175.2 | -145.1 | 0 | 0 | 111.4 | L1001 V1008 Y1009 V1042 K1130 | L1001-E1005 HydrophobicContact CD1-CG 4.36Å; L1001-E1005 WeakPolarHBondContact O-CB 3.32Å; L1001-E1005 WeakPolarHBondContact O-CG 3.24Å; L1001-E1005 PolarHBondContact O-N 2.92Å; E1005-V1008 PolarHBondContact O-N 2.85Å; E1005-Y1009 PolarHBondContact O-N 3.32Å; E1005-V1042 HydrophobicContact CG-CG1 3.55Å; E1005-K1130 IonicContact OE2-NZ 2.78Å; E1005-K1130 PolarHBondContact OE2-NZ 3.2Å |
| 1006 | Y | 74 | Confident | 77 | Confident | 9 Ų | 9 | 41 Ų | 41 | 4% | 0.035 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.7 | -37.8 | -180 | -166.4 | -106.7 | 0 | 0 | 0 | 112.5 | A971 Y972 A980 A984 K1002 A1003 L1004 Y1009 C1010 L1173 | A971-Y1006 VanDerWaalsContact C-OH 3.27Å; A971-Y1006 HydrophobicContact CB-CD1 3.93Å; A971-Y1006 HydrophobicContact CB-CE1 3.62Å; A971-Y1006 WeakPolarHBondContact O-CE1 3.31Å; A971-Y1006 VanDerWaalsContact O-CZ 3.27Å; A971-Y1006 PolarHBondContact O-OH 2.78Å; Y972-Y1006 VanDerWaalsContact CA-OH 3.3Å; Y972-Y1006 WeakPolarHBondContact CA-OH 3.28Å; Y972-Y1006 AromaticContact CD1-CD2 3.81Å; Y972-Y1006 HydrophobicContact CD1-CD2 3.81Å; Y972-Y1006 AromaticContact CD1-CE2 3.5Å; Y972-Y1006 HydrophobicContact CD1-CE2 3.5Å; Y972-Y1006 VanDerWaalsContact CD1-CE2 3.5Å; Y972-Y1006 HydrophobicContact CD2-CD2 4.49Å; Y972-Y1006 AromaticContact CE1-CD2 3.51Å; Y972-Y1006 HydrophobicContact CE1-CD2 3.51Å; Y972-Y1006 AromaticContact CE1-CE2 3.68Å; Y972-Y1006 HydrophobicContact CE1-CE2 3.68Å; Y972-Y1006 HydrophobicContact CE2-CD2 4.21Å; Y972-Y1006 HydrophobicContact CG-CD2 4.28Å; Y972-Y1006 AromaticContact CG-CE2 3.98Å; Y972-Y1006 HydrophobicContact CG-CE2 3.98Å; Y972-Y1006 AromaticContact CZ-CD2 3.7Å; A980-Y1006 HydrophobicContact CB-CE1 3.99Å; A984-Y1006 HydrophobicContact CB-CD1 4.05Å; K1002-Y1006 WeakPolarHBondContact O-CB 3.36Å; K1002-Y1006 PolarHBondContact O-N 3.27Å; K1002-Y1006 VanDerWaalsContact O-N 3.09Å; A1003-Y1006 PolarHBondContact O-N 3.2Å; L1004-Y1006 PolarHBondContact O-N 3.46Å; Y1006-Y1009 HydrophobicContact CE2-CD1 4.34Å; Y1006-Y1009 PolarHBondContact O-N 2.85Å; Y1006-C1010 WeakPolarHBondContact CE1-SG 3.3Å; Y1006-C1010 PolarHBondContact O-N 3.13Å; Y1006-C1010 PolarHBondContact O-SG 2.91Å; Y1006-L1173 VanDerWaalsContact OH-CD2 3.23Å; Y1006-L1173 WeakPolarHBondContact OH-CD2 3.4Å |
| 1007 | M | 81.2 | Confident | 76.9 | Confident | 23 Ų | 23 | 39 Ų | 39 | 11% | 0.113 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.6 | -39.8 | 173.4 | -73.7 | 174.8 | 69.3 | 0 | 0 | 112.3 | L981 A984 L988 A1003 L1004 Y1009 C1010 K1011 V1023 | L981-M1007 HydrophobicContact CD2-CB 4.38Å; L981-M1007 HydrophobicContact CD2-CG 4.3Å; A984-M1007 HydrophobicContact CB-CG 3.69Å; A984-M1007 HydrophobicContact CB-SD 4.45Å; L988-M1007 HydrophobicContact CD2-SD 3.95Å; A1003-M1007 VanDerWaalsContact O-CG 3.3Å; A1003-M1007 WeakPolarHBondContact O-CG 3.32Å; A1003-M1007 PolarHBondContact O-N 3.16Å; L1004-M1007 HydrophobicContact CD2-SD 4.5Å; L1004-M1007 PolarHBondContact O-N 3.33Å; M1007-Y1009 VanDerWaalsContact C-N 3.34Å; M1007-C1010 PolarHBondContact O-N 3.38Å; M1007-K1011 WeakPolarHBondContact O-CB 3.45Å; M1007-K1011 WeakPolarHBondContact O-CG 3.42Å; M1007-K1011 PolarHBondContact O-N 3.25Å; M1007-V1023 HydrophobicContact CB-CG1 3.7Å; M1007-V1023 HydrophobicContact CB-CG2 4.25Å; M1007-V1023 HydrophobicContact CE-CG2 4.37Å |
| 1008 | V | 78.4 | Confident | 77 | Confident | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.018 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.1 | -50.1 | 172.2 | 168.9 | 0 | 0 | 0 | 0 | 109.7 | L1004 E1005 C1010 K1011 E1012 A1020 V1023 I1027 V1046 | L1004-V1008 WeakPolarHBondContact O-CG2 3.14Å; L1004-V1008 PolarHBondContact O-N 3.01Å; E1005-V1008 PolarHBondContact O-N 2.85Å; V1008-C1010 PolarHBondContact O-N 3.2Å; V1008-K1011 CarbonylContact O-C 3.57Å; V1008-K1011 WeakPolarHBondContact O-CB 3.37Å; V1008-K1011 PolarHBondContact O-N 3.26Å; V1008-K1011 VanDerWaalsContact O-N 3.11Å; V1008-E1012 HydrophobicContact CG1-CG 4.31Å; V1008-E1012 WeakPolarHBondContact O-CG 3.34Å; V1008-E1012 PolarHBondContact O-N 2.95Å; V1008-A1020 HydrophobicContact CG1-CB 4.46Å; V1008-V1023 HydrophobicContact CG2-CB 3.77Å; V1008-V1023 HydrophobicContact CG2-CG1 3.55Å; V1008-I1027 HydrophobicContact CG2-CD1 3.74Å; V1008-V1046 HydrophobicContact CG1-CB 4.44Å; V1008-V1046 HydrophobicContact CG1-CG1 3.45Å; V1008-V1046 VanDerWaalsContact CG1-CG1 3.45Å; V1008-V1046 HydrophobicContact CG1-CG2 4.08Å; V1008-V1046 HydrophobicContact CG2-CG1 4.3Å |
| 1009 | Y | 70.7 | Confident | 77.5 | Confident | 73 Ų | 73 | 36.3 Ų | 36.3 | 29% | 0.286 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.2 | -45.2 | -179 | 175.7 | -98.2 | 0 | 0 | 0 | 112.9 | E1005 Y1006 M1007 K1011 E1012 A1013 A1169 S1172 L1173 | E1005-Y1009 PolarHBondContact O-N 3.32Å; Y1006-Y1009 HydrophobicContact CE2-CD1 4.34Å; Y1006-Y1009 PolarHBondContact O-N 2.85Å; M1007-Y1009 VanDerWaalsContact C-N 3.34Å; Y1009-K1011 PolarHBondContact O-N 3.39Å; Y1009-E1012 PolarHBondContact O-N 3.25Å; Y1009-A1013 WeakPolarHBondContact O-CB 3.31Å; Y1009-A1013 PolarHBondContact O-N 3.13Å; Y1009-A1169 HydrophobicContact CE1-CB 4.24Å; Y1009-A1169 HydrophobicContact CE2-CB 3.59Å; Y1009-A1169 WeakPolarHBondContact OH-CA 3.44Å; Y1009-A1169 WeakPolarHBondContact OH-CB 3.44Å; Y1009-S1172 PolarHBondContact OH-OG 3.45Å; Y1009-S1172 VanDerWaalsContact OH-OG 3.09Å; Y1009-L1173 HydrophobicContact CD1-CD1 4.44Å; Y1009-L1173 HydrophobicContact CE1-CD1 3.8Å |
| 1010 | C | 72.4 | Confident | 77.7 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.2 | -38.4 | 175.2 | -66.7 | 0 | 0 | 0 | 0 | 111.2 | L977 L981 Y1006 M1007 V1008 A1013 E1014 | L977-C1010 HydrophobicContact CD2-CB 4.04Å; L981-C1010 HydrophobicContact CD1-CB 4.32Å; L981-C1010 HydrophobicContact CD2-CB 3.6Å; L981-C1010 HydrophobicContact CG-CB 3.69Å; Y1006-C1010 WeakPolarHBondContact CE1-SG 3.3Å; Y1006-C1010 PolarHBondContact O-N 3.13Å; Y1006-C1010 PolarHBondContact O-SG 2.91Å; M1007-C1010 PolarHBondContact O-N 3.38Å; V1008-C1010 PolarHBondContact O-N 3.2Å; C1010-A1013 PolarHBondContact O-N 3.14Å; C1010-E1014 WeakPolarHBondContact O-CB 3.48Å; C1010-E1014 WeakPolarHBondContact O-CG 3.29Å; C1010-E1014 PolarHBondContact O-N 2.68Å |
| 1011 | K | 79 | Confident | 77.7 | Confident | 44 Ų | 44 | 39 Ų | 39 | 19% | 0.191 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -71.2 | -37 | 177.6 | -72.7 | -72 | 171.3 | -163.9 | 0 | 113.5 | L981 M1007 V1008 Y1009 E1014 L1015 D1016 A1020 V1023 | L981-K1011 HydrophobicContact CD2-CG 4.35Å; M1007-K1011 WeakPolarHBondContact O-CB 3.45Å; M1007-K1011 WeakPolarHBondContact O-CG 3.42Å; M1007-K1011 PolarHBondContact O-N 3.25Å; V1008-K1011 CarbonylContact O-C 3.57Å; V1008-K1011 WeakPolarHBondContact O-CB 3.37Å; V1008-K1011 PolarHBondContact O-N 3.26Å; V1008-K1011 VanDerWaalsContact O-N 3.11Å; Y1009-K1011 PolarHBondContact O-N 3.39Å; K1011-E1014 IonicContact NZ-OE2 3.3Å; K1011-E1014 PolarHBondContact NZ-OE2 3.12Å; K1011-E1014 PolarHBondContact O-N 3.44Å; K1011-L1015 PolarHBondContact O-N 2.82Å; K1011-D1016 HydrophobicContact CD-CB 3.93Å; K1011-D1016 VanDerWaalsContact CD-OD2 3.25Å; K1011-D1016 WeakPolarHBondContact CD-OD2 3.23Å; K1011-D1016 IonicContact NZ-OD2 3.98Å; K1011-D1016 PolarHBondContact NZ-OD2 3Å; K1011-D1016 CarbonylContact O-C 3.59Å; K1011-D1016 WeakPolarHBondContact O-CA 3.15Å; K1011-D1016 PolarHBondContact O-N 3.26Å; K1011-A1020 HydrophobicContact CB-CB 3.86Å; K1011-V1023 HydrophobicContact CG-CG2 4.49Å |
| 1012 | E | 72.1 | Confident | 77.9 | Confident | 37 Ų | 37 | 44.8 Ų | 44.8 | 17% | 0.173 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.1 | -42.9 | 171.2 | -74.8 | 177.8 | 176.7 | 0 | 0 | 111.3 | V1008 Y1009 E1014 L1015 A1020 L1050 | V1008-E1012 HydrophobicContact CG1-CG 4.31Å; V1008-E1012 WeakPolarHBondContact O-CG 3.34Å; V1008-E1012 PolarHBondContact O-N 2.95Å; Y1009-E1012 PolarHBondContact O-N 3.25Å; E1012-E1014 VanDerWaalsContact C-N 3.35Å; E1012-E1014 PolarHBondContact O-N 3.3Å; E1012-L1015 WeakPolarHBondContact O-CA 3.43Å; E1012-L1015 PolarHBondContact O-N 3.19Å; E1012-A1020 HydrophobicContact CG-CB 3.9Å; E1012-L1050 HydrophobicContact CG-CD2 3.86Å; E1012-L1050 WeakPolarHBondContact OE1-CD2 3.35Å |
| 1013 | A | 66 | Low | 78.5 | Confident | 31 Ų | 31 | 41 Ų | 41 | 26% | 0.256 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -65.5 | -34.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L977 Y1009 C1010 L1015 | L977-A1013 HydrophobicContact CD1-CB 4.29Å; L977-A1013 HydrophobicContact CD2-CB 3.9Å; Y1009-A1013 WeakPolarHBondContact O-CB 3.31Å; Y1009-A1013 PolarHBondContact O-N 3.13Å; C1010-A1013 PolarHBondContact O-N 3.14Å; A1013-L1015 PolarHBondContact O-N 3.27Å |
| 1014 | E | 72.9 | Confident | 78.8 | Confident | 73 Ų | 73 | 40.9 Ų | 40.9 | 34% | 0.341 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -4 | 170.4 | -75.3 | -176.6 | 164.7 | 0 | 0 | 113.6 | L977 L981 C1010 K1011 E1012 D1016 | L977-E1014 HydrophobicContact CB-CG 4.23Å; L977-E1014 HydrophobicContact CD1-CG 4.03Å; L981-E1014 VanDerWaalsContact CD1-OE1 3.31Å; L981-E1014 WeakPolarHBondContact CD1-OE1 3.45Å; L981-E1014 WeakPolarHBondContact CD1-OE2 3.46Å; C1010-E1014 WeakPolarHBondContact O-CB 3.48Å; C1010-E1014 WeakPolarHBondContact O-CG 3.29Å; C1010-E1014 PolarHBondContact O-N 2.68Å; K1011-E1014 IonicContact NZ-OE2 3.3Å; K1011-E1014 PolarHBondContact NZ-OE2 3.12Å; K1011-E1014 PolarHBondContact O-N 3.44Å; E1012-E1014 VanDerWaalsContact C-N 3.35Å; E1012-E1014 PolarHBondContact O-N 3.3Å; E1014-D1016 HydrophobicContact CB-CB 4.35Å; E1014-D1016 PolarHBondContact O-N 2.96Å |
| 1015 | L | 72.6 | Confident | 78.9 | Confident | 140 Ų | 140 | 43.2 Ų | 43.2 | 73% | 0.733 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 18.4 | -169.5 | -59 | 166.6 | 0 | 0 | 0 | 113.7 | K1011 E1012 A1013 L1017 | K1011-L1015 PolarHBondContact O-N 2.82Å; E1012-L1015 WeakPolarHBondContact O-CA 3.43Å; E1012-L1015 PolarHBondContact O-N 3.19Å; A1013-L1015 PolarHBondContact O-N 3.27Å; L1015-L1017 VanDerWaalsContact C-N 3.29Å; L1015-L1017 PolarHBondContact O-N 3Å; L1015-L1017 VanDerWaalsContact O-N 3.11Å |
| 1016 | D | 82.1 | Confident | 79.4 | Confident | 58 Ų | 58 | 44.7 Ų | 44.7 | 31% | 0.31 | 24% | 0.24 | S | C | . | . | trans | -85.8 | 67 | 174.4 | -175.8 | 10.2 | 0 | 0 | 0 | 110 | K1011 E1014 A1018 G1019 A1020 | K1011-D1016 HydrophobicContact CD-CB 3.93Å; K1011-D1016 VanDerWaalsContact CD-OD2 3.25Å; K1011-D1016 WeakPolarHBondContact CD-OD2 3.23Å; K1011-D1016 IonicContact NZ-OD2 3.98Å; K1011-D1016 PolarHBondContact NZ-OD2 3Å; K1011-D1016 CarbonylContact O-C 3.59Å; K1011-D1016 WeakPolarHBondContact O-CA 3.15Å; K1011-D1016 PolarHBondContact O-N 3.26Å; E1014-D1016 HydrophobicContact CB-CB 4.35Å; E1014-D1016 PolarHBondContact O-N 2.96Å; D1016-A1018 PolarHBondContact O-N 3.46Å; D1016-G1019 CarbonylContact O-C 3.49Å; D1016-G1019 WeakPolarHBondContact O-CA 3.24Å; D1016-G1019 PolarHBondContact O-N 3.3Å; D1016-G1019 VanDerWaalsContact O-N 3.07Å; D1016-G1019 PolarHBondContact OD1-N 3.23Å; D1016-A1020 PolarHBondContact O-N 3.21Å | ||
| 1017 | L | 80.3 | Confident | 80 | Confident | 45 Ų | 45 | 44.2 Ų | 44.2 | 24% | 0.236 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.4 | -29.2 | -179.2 | -60.4 | 178.3 | 0 | 0 | 0 | 112.5 | L1015 R1021 L1050 Q1054 | L1015-L1017 VanDerWaalsContact C-N 3.29Å; L1015-L1017 PolarHBondContact O-N 3Å; L1015-L1017 VanDerWaalsContact O-N 3.11Å; L1017-R1021 WeakPolarHBondContact O-CG 3.44Å; L1017-R1021 PolarHBondContact O-N 2.87Å; L1017-L1050 HydrophobicContact CD2-CD2 3.82Å; L1017-Q1054 HydrophobicContact CD1-CG 4.14Å |
| 1018 | A | 82.9 | Confident | 80.2 | Confident | 65 Ų | 65 | 48 Ų | 48 | 54% | 0.537 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -69.7 | -45.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | D1016 R1021 L1022 | D1016-A1018 PolarHBondContact O-N 3.46Å; A1018-R1021 PolarHBondContact O-N 3.49Å; A1018-L1022 WeakPolarHBondContact O-CG 3.43Å; A1018-L1022 PolarHBondContact O-N 2.71Å |
| 1019 | G | 84.4 | Confident | 80.6 | Confident | 8 Ų | 8 | 52.1 Ų | 52.1 | 8% | 0.082 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.5 | -43.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D1016 R1021 L1022 V1023 | D1016-G1019 CarbonylContact O-C 3.49Å; D1016-G1019 WeakPolarHBondContact O-CA 3.24Å; D1016-G1019 PolarHBondContact O-N 3.3Å; D1016-G1019 VanDerWaalsContact O-N 3.07Å; D1016-G1019 PolarHBondContact OD1-N 3.23Å; G1019-R1021 VanDerWaalsContact C-N 3.33Å; G1019-R1021 PolarHBondContact O-N 3.47Å; G1019-L1022 WeakPolarHBondContact O-CB 3.3Å; G1019-L1022 PolarHBondContact O-N 3.36Å; G1019-L1022 VanDerWaalsContact O-N 3.1Å; G1019-V1023 WeakPolarHBondContact O-CG2 3.39Å; G1019-V1023 PolarHBondContact O-N 3.38Å |
| 1020 | A | 81.5 | Confident | 81.2 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60 | -42 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1008 K1011 E1012 D1016 L1022 V1023 A1024 L1050 | V1008-A1020 HydrophobicContact CG1-CB 4.46Å; K1011-A1020 HydrophobicContact CB-CB 3.86Å; E1012-A1020 HydrophobicContact CG-CB 3.9Å; D1016-A1020 PolarHBondContact O-N 3.21Å; A1020-L1022 PolarHBondContact O-N 2.98Å; A1020-V1023 PolarHBondContact O-N 3.46Å; A1020-A1024 WeakPolarHBondContact O-CB 3.36Å; A1020-A1024 PolarHBondContact O-N 3.4Å; A1020-L1050 HydrophobicContact CB-CD1 4.19Å; A1020-L1050 HydrophobicContact CB-CD2 3.81Å |
| 1021 | R | 84.4 | Confident | 81.7 | Confident | 81 Ų | 81 | 49.3 Ų | 49.3 | 31% | 0.306 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.6 | -37.4 | 173.1 | -81.5 | -170.1 | 170.9 | 153.8 | 2.3 | 113.4 | L1017 A1018 G1019 A1024 A1025 L1050 D1051 Q1054 | L1017-R1021 WeakPolarHBondContact O-CG 3.44Å; L1017-R1021 PolarHBondContact O-N 2.87Å; A1018-R1021 PolarHBondContact O-N 3.49Å; G1019-R1021 VanDerWaalsContact C-N 3.33Å; G1019-R1021 PolarHBondContact O-N 3.47Å; R1021-A1024 PolarHBondContact O-N 2.87Å; R1021-A1025 PolarHBondContact O-N 3.12Å; R1021-L1050 HydrophobicContact CG-CD1 3.74Å; R1021-D1051 IonicContact CZ-OD1 2.7Å; R1021-D1051 IonicContact NH2-OD1 3.73Å; R1021-D1051 PolarHBondContact NH2-OD1 3.3Å; R1021-Q1054 VanDerWaalsContact CZ-CD 3.42Å |
| 1022 | L | 87.5 | Confident | 82 | Confident | 125 Ų | 125 | 53.2 Ų | 53.2 | 65% | 0.654 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -64.6 | -43.8 | 175.5 | -72.1 | 170.7 | 0 | 0 | 0 | 111.1 | A1018 G1019 A1020 A1025 E1026 | A1018-L1022 WeakPolarHBondContact O-CG 3.43Å; A1018-L1022 PolarHBondContact O-N 2.71Å; G1019-L1022 WeakPolarHBondContact O-CB 3.3Å; G1019-L1022 PolarHBondContact O-N 3.36Å; G1019-L1022 VanDerWaalsContact O-N 3.1Å; A1020-L1022 PolarHBondContact O-N 2.98Å; L1022-A1025 WeakPolarHBondContact O-CB 3.34Å; L1022-A1025 PolarHBondContact O-N 2.73Å; L1022-E1026 PolarHBondContact O-N 3.16Å |
| 1023 | V | 86.4 | Confident | 82.5 | Confident | 12 Ų | 12 | 58 Ų | 58 | 7% | 0.073 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.9 | -38.1 | 175.5 | -176 | 0 | 0 | 0 | 0 | 110.9 | L1004 M1007 V1008 K1011 G1019 A1020 A1025 E1026 I1027 | L1004-V1023 HydrophobicContact CB-CG1 4.37Å; L1004-V1023 HydrophobicContact CD2-CG1 3.98Å; L1004-V1023 WeakPolarHBondContact O-CG1 3.33Å; M1007-V1023 HydrophobicContact CB-CG1 3.7Å; M1007-V1023 HydrophobicContact CB-CG2 4.25Å; M1007-V1023 HydrophobicContact CE-CG2 4.37Å; V1008-V1023 HydrophobicContact CG2-CB 3.77Å; V1008-V1023 HydrophobicContact CG2-CG1 3.55Å; K1011-V1023 HydrophobicContact CG-CG2 4.49Å; G1019-V1023 WeakPolarHBondContact O-CG2 3.39Å; G1019-V1023 PolarHBondContact O-N 3.38Å; A1020-V1023 PolarHBondContact O-N 3.46Å; V1023-A1025 PolarHBondContact O-N 2.78Å; V1023-E1026 CarbonylContact O-C 3.57Å; V1023-E1026 WeakPolarHBondContact O-CA 3.43Å; V1023-E1026 WeakPolarHBondContact O-CB 3.43Å; V1023-E1026 PolarHBondContact O-N 2.9Å; V1023-I1027 PolarHBondContact O-N 3.11Å |
| 1024 | A | 84.6 | Confident | 83.1 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59 | -36.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A1020 R1021 E1026 I1027 K1028 H1043 V1046 L1047 | A1020-A1024 WeakPolarHBondContact O-CB 3.36Å; A1020-A1024 PolarHBondContact O-N 3.4Å; R1021-A1024 PolarHBondContact O-N 2.87Å; A1024-E1026 VanDerWaalsContact C-N 3.32Å; A1024-E1026 PolarHBondContact O-N 3.46Å; A1024-I1027 WeakPolarHBondContact O-CB 3.46Å; A1024-I1027 PolarHBondContact O-N 2.99Å; A1024-K1028 PolarHBondContact O-N 2.82Å; A1024-H1043 PolarHBondContact O-CE1 3.44Å; A1024-H1043 VanDerWaalsContact O-CE1 3.3Å; A1024-H1043 PolarHBondContact O-ND1 3.17Å; A1024-V1046 HydrophobicContact CB-CG1 3.87Å; A1024-L1047 HydrophobicContact CB-CD2 4.47Å |
| 1025 | A | 87.2 | Confident | 83.5 | Confident | 49 Ų | 49 | 62.4 Ų | 62.4 | 41% | 0.405 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.6 | -32.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | R1021 L1022 V1023 K1028 L1029 | R1021-A1025 PolarHBondContact O-N 3.12Å; L1022-A1025 WeakPolarHBondContact O-CB 3.34Å; L1022-A1025 PolarHBondContact O-N 2.73Å; V1023-A1025 PolarHBondContact O-N 2.78Å; A1025-K1028 WeakPolarHBondContact O-CB 3.45Å; A1025-K1028 PolarHBondContact O-N 3.11Å; A1025-L1029 PolarHBondContact O-N 3.34Å; A1025-L1029 VanDerWaalsContact O-N 3.15Å |
| 1026 | E | 87.4 | Confident | 83.8 | Confident | 62 Ų | 62 | 57.5 Ų | 57.5 | 29% | 0.29 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.8 | -34.4 | 170.5 | -65.6 | -163.9 | -163.9 | 0 | 0 | 112.7 | R992 L1004 L1022 V1023 A1024 K1028 L1029 C1030 | R992-E1026 IonicContact CZ-OE2 3.2Å; R992-E1026 IonicContact NH1-OE2 2.6Å; R992-E1026 IonicContact NH2-OE2 2.63Å; R992-E1026 PolarHBondContact NH2-OE2 2.81Å; L1004-E1026 HydrophobicContact CD1-CB 4.24Å; L1004-E1026 HydrophobicContact CD2-CB 3.72Å; L1022-E1026 PolarHBondContact O-N 3.16Å; V1023-E1026 CarbonylContact O-C 3.57Å; V1023-E1026 WeakPolarHBondContact O-CA 3.43Å; V1023-E1026 WeakPolarHBondContact O-CB 3.43Å; V1023-E1026 PolarHBondContact O-N 2.9Å; A1024-E1026 VanDerWaalsContact C-N 3.32Å; A1024-E1026 PolarHBondContact O-N 3.46Å; E1026-K1028 VanDerWaalsContact C-N 3.27Å; E1026-K1028 PolarHBondContact O-N 3.1Å; E1026-L1029 PolarHBondContact O-N 2.8Å; E1026-C1030 WeakPolarHBondContact O-CB 3.3Å; E1026-C1030 PolarHBondContact O-N 3.41Å |
| 1027 | I | 86.1 | Confident | 83.8 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.9 | -40.9 | 172.8 | -61.4 | 175.3 | 0 | 0 | 0 | 110.2 | L1001 L1004 V1008 V1023 A1024 C1030 A1031 A1039 V1042 H1043 | L1001-I1027 HydrophobicContact CD1-CG2 3.75Å; L1004-I1027 HydrophobicContact CB-CD1 4.26Å; L1004-I1027 HydrophobicContact CB-CG1 3.57Å; L1004-I1027 HydrophobicContact CD1-CG1 4.16Å; L1004-I1027 HydrophobicContact CG-CG1 4.44Å; V1008-I1027 HydrophobicContact CG2-CD1 3.74Å; V1023-I1027 PolarHBondContact O-N 3.11Å; A1024-I1027 WeakPolarHBondContact O-CB 3.46Å; A1024-I1027 PolarHBondContact O-N 2.99Å; I1027-C1030 WeakPolarHBondContact O-CB 3.46Å; I1027-C1030 PolarHBondContact O-N 2.72Å; I1027-A1031 PolarHBondContact O-N 2.87Å; I1027-A1039 HydrophobicContact CG2-CB 4.41Å; I1027-A1039 VanDerWaalsContact CG2-O 3.31Å; I1027-A1039 WeakPolarHBondContact CG2-O 3.3Å; I1027-V1042 HydrophobicContact CD1-CG1 4.45Å; I1027-H1043 HydrophobicContact CB-CB 4.34Å; I1027-H1043 HydrophobicContact CG2-CB 3.86Å |
| 1028 | K | 86 | Confident | 83.9 | Confident | 102 Ų | 102 | 59.1 Ų | 59.1 | 44% | 0.443 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 175.4 | -170.7 | 179.1 | -173.3 | 162.7 | 0 | 112.3 | A1024 A1025 E1026 A1031 Q1032 | A1024-K1028 PolarHBondContact O-N 2.82Å; A1025-K1028 WeakPolarHBondContact O-CB 3.45Å; A1025-K1028 PolarHBondContact O-N 3.11Å; E1026-K1028 VanDerWaalsContact C-N 3.27Å; E1026-K1028 PolarHBondContact O-N 3.1Å; K1028-A1031 WeakPolarHBondContact O-CB 3.31Å; K1028-A1031 PolarHBondContact O-N 3.15Å; K1028-Q1032 WeakPolarHBondContact O-CG 3.47Å; K1028-Q1032 PolarHBondContact O-N 3Å |
| 1029 | L | 86.1 | Confident | 83.8 | Confident | 90 Ų | 90 | 56 Ų | 56 | 47% | 0.471 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.1 | -44.4 | 174.9 | -70.8 | 168.4 | 0 | 0 | 0 | 110.9 | A1025 E1026 A1031 Q1032 E1033 | A1025-L1029 PolarHBondContact O-N 3.34Å; A1025-L1029 VanDerWaalsContact O-N 3.15Å; E1026-L1029 PolarHBondContact O-N 2.8Å; L1029-A1031 VanDerWaalsContact C-N 3.29Å; L1029-A1031 PolarHBondContact O-N 3.32Å; L1029-Q1032 PolarHBondContact O-N 2.97Å; L1029-Q1032 VanDerWaalsContact O-N 3.15Å; L1029-E1033 WeakPolarHBondContact O-CB 3.33Å; L1029-E1033 WeakPolarHBondContact O-CG 3.4Å; L1029-E1033 PolarHBondContact O-N 2.9Å |
| 1030 | C | 84.2 | Confident | 83.9 | Confident | 4 Ų | 4 | 60 Ų | 60 | 3% | 0.027 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.8 | -37.6 | 175.4 | -177.7 | 0 | 0 | 0 | 0 | 112.5 | L1004 E1026 I1027 N1034 | L1004-C1030 HydrophobicContact CD1-CB 3.82Å; E1026-C1030 WeakPolarHBondContact O-CB 3.3Å; E1026-C1030 PolarHBondContact O-N 3.41Å; I1027-C1030 WeakPolarHBondContact O-CB 3.46Å; I1027-C1030 PolarHBondContact O-N 2.72Å; C1030-N1034 WeakPolarHBondContact O-CB 3.39Å; C1030-N1034 PolarHBondContact O-N 3.1Å; C1030-N1034 PolarHBondContact O-ND2 2.92Å; C1030-N1034 VanDerWaalsContact O-ND2 3.11Å; C1030-N1034 PolarHBondContact SG-ND2 3.38Å; C1030-N1034 VanDerWaalsContact SG-ND2 3.43Å |
| 1031 | A | 82.8 | Confident | 84.1 | Confident | 10 Ų | 10 | 60 Ų | 60 | 8% | 0.083 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.3 | -43.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1027 K1028 L1029 N1035 L1036 A1039 E1040 | I1027-A1031 PolarHBondContact O-N 2.87Å; K1028-A1031 WeakPolarHBondContact O-CB 3.31Å; K1028-A1031 PolarHBondContact O-N 3.15Å; L1029-A1031 VanDerWaalsContact C-N 3.29Å; L1029-A1031 PolarHBondContact O-N 3.32Å; A1031-N1035 WeakPolarHBondContact O-CA 3.45Å; A1031-N1035 PolarHBondContact O-N 2.68Å; A1031-L1036 PolarHBondContact O-N 3.42Å; A1031-A1039 HydrophobicContact CB-CB 3.63Å; A1031-E1040 HydrophobicContact CB-CB 4.28Å |
| 1032 | Q | 84.2 | Confident | 84 | Confident | 126 Ų | 126 | 56.2 Ų | 56.2 | 59% | 0.589 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -70.2 | -40.9 | 179.6 | -70.4 | 177.7 | -11.5 | 0 | 0 | 112.9 | K1028 L1029 | K1028-Q1032 WeakPolarHBondContact O-CG 3.47Å; K1028-Q1032 PolarHBondContact O-N 3Å; L1029-Q1032 PolarHBondContact O-N 2.97Å; L1029-Q1032 VanDerWaalsContact O-N 3.15Å |
| 1033 | E | 82.6 | Confident | 83.9 | Confident | 137 Ų | 137 | 51 Ų | 51 | 64% | 0.64 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -70.1 | -35.5 | -178.9 | -73.2 | 178 | 172.4 | 0 | 0 | 112.4 | L1029 | L1029-E1033 WeakPolarHBondContact O-CB 3.33Å; L1029-E1033 WeakPolarHBondContact O-CG 3.4Å; L1029-E1033 PolarHBondContact O-N 2.9Å |
| 1034 | N | 79.6 | Confident | 84 | Confident | 48 Ų | 48 | 51.1 Ų | 51.1 | 26% | 0.257 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -106.6 | 0.6 | -173.3 | -61.8 | -57.5 | 0 | 0 | 0 | 114.5 | A997 Q1000 C1030 L1036 | A997-N1034 HydrophobicContact CB-CB 3.59Å; Q1000-N1034 PolarHBondContact OE1-ND2 2.97Å; C1030-N1034 WeakPolarHBondContact O-CB 3.39Å; C1030-N1034 PolarHBondContact O-N 3.1Å; C1030-N1034 PolarHBondContact O-ND2 2.92Å; C1030-N1034 VanDerWaalsContact O-ND2 3.11Å; C1030-N1034 PolarHBondContact SG-ND2 3.38Å; C1030-N1034 VanDerWaalsContact SG-ND2 3.43Å; N1034-L1036 VanDerWaalsContact C-N 3.27Å; N1034-L1036 HydrophobicContact CB-CD1 3.91Å; N1034-L1036 HydrophobicContact CB-CG 3.85Å; N1034-L1036 PolarHBondContact O-N 3.37Å |
| 1035 | N | 81 | Confident | 83.9 | Confident | 149 Ų | 149 | 51.7 Ų | 51.7 | 80% | 0.797 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 43.3 | -172.6 | -73.7 | -34 | 0 | 0 | 0 | 113.2 | A1031 | A1031-N1035 WeakPolarHBondContact O-CA 3.45Å; A1031-N1035 PolarHBondContact O-N 2.68Å |
| 1036 | L | 79.1 | Confident | 83.7 | Confident | 36 Ų | 36 | 50.1 Ų | 50.1 | 19% | 0.188 | 25% | 0.25 | C | S | . | . | trans | -96.9 | 100.8 | -179 | -73.4 | 175.1 | 0 | 0 | 0 | 111.2 | A997 A1031 N1034 K1038 A1039 E1040 | A997-L1036 HydrophobicContact CB-CD1 3.56Å; A997-L1036 HydrophobicContact CB-CG 4.33Å; A1031-L1036 PolarHBondContact O-N 3.42Å; N1034-L1036 VanDerWaalsContact C-N 3.27Å; N1034-L1036 HydrophobicContact CB-CD1 3.91Å; N1034-L1036 HydrophobicContact CB-CG 3.85Å; N1034-L1036 PolarHBondContact O-N 3.37Å; L1036-K1038 PolarHBondContact O-N 3.11Å; L1036-A1039 HydrophobicContact CB-CB 3.81Å; L1036-A1039 WeakPolarHBondContact O-CB 3.17Å; L1036-A1039 PolarHBondContact O-N 3.43Å; L1036-E1040 PolarHBondContact O-N 3.07Å | ||
| 1037 | T | 82.6 | Confident | 83.6 | Confident | 73 Ų | 73 | 49 Ų | 49 | 45% | 0.448 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.1 | -33.6 | 173.9 | 53.1 | 0 | 0 | 0 | 0 | 112.3 | A1039 E1040 I1041 | T1037-A1039 VanDerWaalsContact C-N 3.34Å; T1037-A1039 PolarHBondContact O-N 3.1Å; T1037-E1040 WeakPolarHBondContact O-CB 3.41Å; T1037-E1040 PolarHBondContact O-N 2.98Å; T1037-I1041 WeakPolarHBondContact O-CG1 3.4Å; T1037-I1041 PolarHBondContact O-N 3.41Å |
| 1038 | K | 80.7 | Confident | 83.5 | Confident | 64 Ų | 64 | 49 Ų | 49 | 28% | 0.278 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61 | -40.2 | 174.5 | -170.4 | 170.1 | -176.8 | 140.5 | 0 | 112.7 | L1001 L1036 E1040 I1041 V1042 D1076 L1079 | L1001-K1038 HydrophobicContact CD2-CG 4.33Å; L1036-K1038 PolarHBondContact O-N 3.11Å; K1038-E1040 VanDerWaalsContact C-N 3.31Å; K1038-I1041 PolarHBondContact O-N 3.03Å; K1038-V1042 VanDerWaalsContact O-CG2 3.3Å; K1038-V1042 WeakPolarHBondContact O-CG2 3.48Å; K1038-V1042 PolarHBondContact O-N 3.47Å; K1038-D1076 IonicContact NZ-OD2 2.76Å; K1038-D1076 PolarHBondContact NZ-OD2 2.54Å; K1038-L1079 HydrophobicContact CD-CD1 4.43Å; K1038-L1079 HydrophobicContact CG-CD1 3.91Å |
| 1039 | A | 82.2 | Confident | 83.1 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.4 | -35.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1001 I1027 A1031 L1036 T1037 V1042 H1043 | L1001-A1039 HydrophobicContact CD1-CB 3.67Å; L1001-A1039 HydrophobicContact CD2-CB 3.99Å; L1001-A1039 HydrophobicContact CG-CB 4.36Å; I1027-A1039 HydrophobicContact CG2-CB 4.41Å; I1027-A1039 VanDerWaalsContact CG2-O 3.31Å; I1027-A1039 WeakPolarHBondContact CG2-O 3.3Å; A1031-A1039 HydrophobicContact CB-CB 3.63Å; L1036-A1039 HydrophobicContact CB-CB 3.81Å; L1036-A1039 WeakPolarHBondContact O-CB 3.17Å; L1036-A1039 PolarHBondContact O-N 3.43Å; T1037-A1039 VanDerWaalsContact C-N 3.34Å; T1037-A1039 PolarHBondContact O-N 3.1Å; A1039-V1042 PolarHBondContact O-N 3.37Å; A1039-H1043 WeakPolarHBondContact O-CB 3.33Å; A1039-H1043 PolarHBondContact O-N 3.28Å |
| 1040 | E | 85.1 | Confident | 82.8 | Confident | 91 Ų | 91 | 40.3 Ų | 40.3 | 43% | 0.425 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66.3 | -43.9 | 174.7 | -171 | 168.5 | -152.7 | 0 | 0 | 112 | A1031 L1036 T1037 K1038 V1042 H1043 L1044 L1070 | A1031-E1040 HydrophobicContact CB-CB 4.28Å; L1036-E1040 PolarHBondContact O-N 3.07Å; T1037-E1040 WeakPolarHBondContact O-CB 3.41Å; T1037-E1040 PolarHBondContact O-N 2.98Å; K1038-E1040 VanDerWaalsContact C-N 3.31Å; E1040-V1042 PolarHBondContact O-N 3.44Å; E1040-H1043 WeakPolarHBondContact O-CB 3Å; E1040-H1043 PolarHBondContact O-N 2.73Å; E1040-L1044 WeakPolarHBondContact O-CG 3.29Å; E1040-L1044 PolarHBondContact O-N 3.08Å; E1040-L1070 HydrophobicContact CG-CD1 4.18Å |
| 1041 | I | 86.1 | Confident | 82.8 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.7 | -47.4 | 174.3 | -65.6 | 159.8 | 0 | 0 | 0 | 110.8 | T1037 K1038 L1044 M1045 L1070 A1071 V1074 L1079 I1083 | T1037-I1041 WeakPolarHBondContact O-CG1 3.4Å; T1037-I1041 PolarHBondContact O-N 3.41Å; K1038-I1041 PolarHBondContact O-N 3.03Å; I1041-L1044 PolarHBondContact O-N 3.14Å; I1041-M1045 WeakPolarHBondContact O-CB 3.48Å; I1041-M1045 PolarHBondContact O-N 3.41Å; I1041-L1070 HydrophobicContact CD1-CB 4.14Å; I1041-L1070 HydrophobicContact CG1-CB 3.51Å; I1041-L1070 HydrophobicContact CG1-CD1 4.46Å; I1041-A1071 HydrophobicContact CD1-CB 4.41Å; I1041-A1071 HydrophobicContact CG2-CB 4.12Å; I1041-V1074 HydrophobicContact CD1-CB 4.06Å; I1041-V1074 HydrophobicContact CD1-CG2 3.75Å; I1041-L1079 HydrophobicContact CB-CD1 4.45Å; I1041-L1079 HydrophobicContact CG2-CB 4.39Å; I1041-L1079 HydrophobicContact CG2-CD1 4Å; I1041-L1079 HydrophobicContact CG2-CD2 4.37Å; I1041-I1083 HydrophobicContact CG2-CD1 3.6Å |
| 1042 | V | 82.1 | Confident | 82.6 | Confident | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.018 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.6 | -41.7 | 179.4 | 170.4 | 0 | 0 | 0 | 0 | 111.4 | L1001 E1005 I1027 K1038 A1039 E1040 L1044 M1045 V1046 L1079 | L1001-V1042 HydrophobicContact CD1-CG1 4.43Å; E1005-V1042 HydrophobicContact CG-CG1 3.55Å; I1027-V1042 HydrophobicContact CD1-CG1 4.45Å; K1038-V1042 VanDerWaalsContact O-CG2 3.3Å; K1038-V1042 WeakPolarHBondContact O-CG2 3.48Å; K1038-V1042 PolarHBondContact O-N 3.47Å; A1039-V1042 PolarHBondContact O-N 3.37Å; E1040-V1042 PolarHBondContact O-N 3.44Å; V1042-L1044 PolarHBondContact O-N 3.45Å; V1042-M1045 PolarHBondContact O-N 3.43Å; V1042-V1046 HydrophobicContact CG1-CG2 4.34Å; V1042-V1046 WeakPolarHBondContact O-CB 3.49Å; V1042-V1046 VanDerWaalsContact O-CG2 3.31Å; V1042-V1046 WeakPolarHBondContact O-CG2 3.43Å; V1042-V1046 PolarHBondContact O-N 3.43Å; V1042-L1079 HydrophobicContact CG2-CD2 4.08Å |
| 1043 | H | 86 | Confident | 81.9 | Confident | 14 Ų | 14 | 36.6 Ų | 36.6 | 7% | 0.065 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.5 | -48.8 | 175.2 | 170.3 | 64.6 | 0 | 0 | 0 | 111.9 | A1024 I1027 A1039 E1040 L1047 | A1024-H1043 PolarHBondContact O-CE1 3.44Å; A1024-H1043 VanDerWaalsContact O-CE1 3.3Å; A1024-H1043 PolarHBondContact O-ND1 3.17Å; I1027-H1043 HydrophobicContact CB-CB 4.34Å; I1027-H1043 HydrophobicContact CG2-CB 3.86Å; A1039-H1043 WeakPolarHBondContact O-CB 3.33Å; A1039-H1043 PolarHBondContact O-N 3.28Å; E1040-H1043 WeakPolarHBondContact O-CB 3Å; E1040-H1043 PolarHBondContact O-N 2.73Å; H1043-L1047 WeakPolarHBondContact CE1-CD1 3.39Å; H1043-L1047 VanDerWaalsContact NE2-CD1 3.28Å; H1043-L1047 WeakPolarHBondContact NE2-CD1 3.4Å; H1043-L1047 WeakPolarHBondContact O-CB 3.36Å; H1043-L1047 WeakPolarHBondContact O-CG 3.29Å; H1043-L1047 PolarHBondContact O-N 2.96Å |
| 1044 | L | 87.6 | Confident | 81.7 | Confident | 16 Ų | 16 | 32.8 Ų | 32.8 | 8% | 0.084 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.7 | -45.3 | 177.7 | -67.3 | 168.9 | 0 | 0 | 0 | 111 | E1040 I1041 V1042 V1046 L1047 G1048 I1063 E1066 A1067 L1070 | E1040-L1044 WeakPolarHBondContact O-CG 3.29Å; E1040-L1044 PolarHBondContact O-N 3.08Å; I1041-L1044 PolarHBondContact O-N 3.14Å; V1042-L1044 PolarHBondContact O-N 3.45Å; L1044-V1046 VanDerWaalsContact C-N 3.34Å; L1044-V1046 PolarHBondContact O-N 3.16Å; L1044-L1047 PolarHBondContact O-N 3.36Å; L1044-G1048 PolarHBondContact O-N 3.5Å; L1044-I1063 HydrophobicContact CB-CG2 3.98Å; L1044-I1063 HydrophobicContact CD2-CG2 4.03Å; L1044-I1063 WeakPolarHBondContact O-CG2 3.32Å; L1044-E1066 HydrophobicContact CD1-CB 4.3Å; L1044-E1066 HydrophobicContact CD1-CG 3.85Å; L1044-A1067 HydrophobicContact CB-CB 3.74Å; L1044-L1070 HydrophobicContact CD1-CD1 3.54Å |
| 1045 | M | 84.2 | Confident | 81.5 | Confident | 12 Ų | 12 | 36.4 Ų | 36.4 | 6% | 0.059 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -55.7 | -48.2 | 176.8 | -174.8 | -177.7 | 68.7 | 0 | 0 | 111.7 | I1041 V1042 G1048 V1049 L1064 L1079 E1082 I1083 | I1041-M1045 WeakPolarHBondContact O-CB 3.48Å; I1041-M1045 PolarHBondContact O-N 3.41Å; V1042-M1045 PolarHBondContact O-N 3.43Å; M1045-G1048 PolarHBondContact O-N 3.21Å; M1045-V1049 WeakPolarHBondContact O-CG2 3.33Å; M1045-V1049 PolarHBondContact O-N 3.08Å; M1045-L1064 HydrophobicContact CG-CD2 4.34Å; M1045-L1079 HydrophobicContact CE-CD2 4.45Å; M1045-L1079 HydrophobicContact SD-CD2 4.49Å; M1045-E1082 HydrophobicContact SD-CB 4.25Å; M1045-I1083 HydrophobicContact CB-CG1 4.36Å; M1045-I1083 HydrophobicContact CG-CG1 4.07Å; M1045-I1083 HydrophobicContact SD-CG1 3.92Å |
| 1046 | V | 82.6 | Confident | 81.6 | Confident | 15 Ų | 15 | 34 Ų | 34 | 9% | 0.091 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.8 | -47.5 | 176.7 | 165.9 | 0 | 0 | 0 | 0 | 111.3 | V1008 A1024 V1042 L1044 G1048 V1049 L1050 | V1008-V1046 HydrophobicContact CG1-CB 4.44Å; V1008-V1046 HydrophobicContact CG1-CG1 3.45Å; V1008-V1046 VanDerWaalsContact CG1-CG1 3.45Å; V1008-V1046 HydrophobicContact CG1-CG2 4.08Å; V1008-V1046 HydrophobicContact CG2-CG1 4.3Å; A1024-V1046 HydrophobicContact CB-CG1 3.87Å; V1042-V1046 HydrophobicContact CG1-CG2 4.34Å; V1042-V1046 WeakPolarHBondContact O-CB 3.49Å; V1042-V1046 VanDerWaalsContact O-CG2 3.31Å; V1042-V1046 WeakPolarHBondContact O-CG2 3.43Å; V1042-V1046 PolarHBondContact O-N 3.43Å; L1044-V1046 VanDerWaalsContact C-N 3.34Å; L1044-V1046 PolarHBondContact O-N 3.16Å; V1046-G1048 VanDerWaalsContact C-N 3.27Å; V1046-G1048 PolarHBondContact O-N 2.93Å; V1046-V1049 PolarHBondContact O-N 3.4Å; V1046-L1050 HydrophobicContact CG1-CD1 3.66Å; V1046-L1050 HydrophobicContact CG1-CG 4.24Å; V1046-L1050 WeakPolarHBondContact O-CB 3.41Å; V1046-L1050 VanDerWaalsContact O-CG 3.29Å; V1046-L1050 WeakPolarHBondContact O-CG 3.33Å; V1046-L1050 PolarHBondContact O-N 3.39Å |
| 1047 | L | 85.6 | Confident | 81.7 | Confident | 39 Ų | 39 | 35.1 Ų | 35.1 | 20% | 0.204 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.6 | -39 | 176.5 | -79 | 178.1 | 0 | 0 | 0 | 112.2 | A1024 H1043 L1044 L1050 D1051 I1063 | A1024-L1047 HydrophobicContact CB-CD2 4.47Å; H1043-L1047 WeakPolarHBondContact CE1-CD1 3.39Å; H1043-L1047 VanDerWaalsContact NE2-CD1 3.28Å; H1043-L1047 WeakPolarHBondContact NE2-CD1 3.4Å; H1043-L1047 WeakPolarHBondContact O-CB 3.36Å; H1043-L1047 WeakPolarHBondContact O-CG 3.29Å; H1043-L1047 PolarHBondContact O-N 2.96Å; L1044-L1047 PolarHBondContact O-N 3.36Å; L1047-L1050 PolarHBondContact O-N 3.38Å; L1047-D1051 WeakPolarHBondContact O-CB 3.36Å; L1047-D1051 PolarHBondContact O-N 3.06Å; L1047-I1063 HydrophobicContact CB-CD1 4.26Å; L1047-I1063 HydrophobicContact CB-CG2 4Å |
| 1048 | G | 82.6 | Confident | 81.7 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.1 | -40.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1044 M1045 V1046 F1052 A1060 | L1044-G1048 PolarHBondContact O-N 3.5Å; M1045-G1048 PolarHBondContact O-N 3.21Å; V1046-G1048 VanDerWaalsContact C-N 3.27Å; V1046-G1048 PolarHBondContact O-N 2.93Å; G1048-F1052 WeakPolarHBondContact O-CB 3.29Å; G1048-F1052 PolarHBondContact O-N 3.08Å; G1048-A1060 VanDerWaalsContact O-CB 3.24Å; G1048-A1060 WeakPolarHBondContact O-CB 3.2Å |
| 1049 | V | 78.5 | Confident | 82 | Confident | 10 Ų | 10 | 36.5 Ų | 36.5 | 6% | 0.061 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.3 | -45.5 | 174.2 | 176 | 0 | 0 | 0 | 0 | 111.3 | M1045 V1046 D1051 F1052 D1053 W1086 | M1045-V1049 WeakPolarHBondContact O-CG2 3.33Å; M1045-V1049 PolarHBondContact O-N 3.08Å; V1046-V1049 PolarHBondContact O-N 3.4Å; V1049-D1051 VanDerWaalsContact C-N 3.31Å; V1049-D1051 PolarHBondContact O-N 3.24Å; V1049-F1052 WeakPolarHBondContact O-CB 3.38Å; V1049-F1052 PolarHBondContact O-N 3.31Å; V1049-F1052 VanDerWaalsContact O-N 3.15Å; V1049-D1053 PolarHBondContact O-N 3.17Å; V1049-W1086 HydrophobicContact CB-CZ2 4.27Å; V1049-W1086 HydrophobicContact CG1-CH2 3.76Å; V1049-W1086 HydrophobicContact CG1-CZ2 3.67Å; V1049-W1086 HydrophobicContact CG1-CZ3 4.46Å; V1049-W1086 HydrophobicContact CG2-CD2 3.72Å; V1049-W1086 HydrophobicContact CG2-CE3 4.26Å; V1049-W1086 HydrophobicContact CG2-CG 4.08Å; V1049-W1086 HydrophobicContact CG2-CH2 4.12Å; V1049-W1086 HydrophobicContact CG2-CZ2 3.49Å; V1049-W1086 VanDerWaalsContact CG2-CZ2 3.49Å; V1049-W1086 HydrophobicContact CG2-CZ3 4.47Å |
| 1050 | L | 80.3 | Confident | 82.1 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.6 | -37 | 177.3 | -69.6 | 170.7 | 0 | 0 | 0 | 112.2 | E1012 L1017 A1020 R1021 V1046 L1047 D1053 Q1054 | E1012-L1050 HydrophobicContact CG-CD2 3.86Å; E1012-L1050 WeakPolarHBondContact OE1-CD2 3.35Å; L1017-L1050 HydrophobicContact CD2-CD2 3.82Å; A1020-L1050 HydrophobicContact CB-CD1 4.19Å; A1020-L1050 HydrophobicContact CB-CD2 3.81Å; R1021-L1050 HydrophobicContact CG-CD1 3.74Å; V1046-L1050 HydrophobicContact CG1-CD1 3.66Å; V1046-L1050 HydrophobicContact CG1-CG 4.24Å; V1046-L1050 WeakPolarHBondContact O-CB 3.41Å; V1046-L1050 VanDerWaalsContact O-CG 3.29Å; V1046-L1050 WeakPolarHBondContact O-CG 3.33Å; V1046-L1050 PolarHBondContact O-N 3.39Å; L1047-L1050 PolarHBondContact O-N 3.38Å; L1050-D1053 PolarHBondContact O-N 2.94Å; L1050-Q1054 WeakPolarHBondContact O-CG 3.09Å; L1050-Q1054 PolarHBondContact O-N 3.35Å |
| 1051 | D | 82.5 | Confident | 82.2 | Confident | 13 Ų | 13 | 33 Ų | 33 | 7% | 0.07 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -70.8 | -36.9 | 174.5 | -82.3 | 1.5 | 0 | 0 | 0 | 111.9 | R1021 L1047 V1049 Q1054 H1055 H1056 S1059 A1060 I1063 | R1021-D1051 IonicContact CZ-OD1 2.7Å; R1021-D1051 IonicContact NH2-OD1 3.73Å; R1021-D1051 PolarHBondContact NH2-OD1 3.3Å; L1047-D1051 WeakPolarHBondContact O-CB 3.36Å; L1047-D1051 PolarHBondContact O-N 3.06Å; V1049-D1051 VanDerWaalsContact C-N 3.31Å; V1049-D1051 PolarHBondContact O-N 3.24Å; D1051-Q1054 CarbonylContact O-C 3.55Å; D1051-Q1054 PolarHBondContact O-N 2.96Å; D1051-H1055 PolarHBondContact O-N 3.03Å; D1051-H1056 HydrophobicContact CB-CB 4.19Å; D1051-H1056 WeakPolarHBondContact O-CA 3.38Å; D1051-H1056 WeakPolarHBondContact O-CB 3.41Å; D1051-H1056 PolarHBondContact O-N 3.27Å; D1051-S1059 WeakPolarHBondContact OD2-CB 3.43Å; D1051-S1059 PolarHBondContact OD2-OG 3.03Å; D1051-A1060 HydrophobicContact CB-CB 4Å; D1051-I1063 WeakPolarHBondContact OD2-CD1 3.45Å |
| 1052 | F | 79 | Confident | 82.3 | Confident | 19 Ų | 19 | 37.7 Ų | 37.7 | 8% | 0.083 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.6 | -44.7 | 170.5 | 169.6 | -101.8 | 0 | 0 | 0 | 111.6 | G1048 V1049 Q1054 H1055 F1057 A1060 W1086 I1089 V1090 A1093 | G1048-F1052 WeakPolarHBondContact O-CB 3.29Å; G1048-F1052 PolarHBondContact O-N 3.08Å; V1049-F1052 WeakPolarHBondContact O-CB 3.38Å; V1049-F1052 PolarHBondContact O-N 3.31Å; V1049-F1052 VanDerWaalsContact O-N 3.15Å; F1052-Q1054 VanDerWaalsContact C-N 3.26Å; F1052-Q1054 PolarHBondContact O-N 2.68Å; F1052-H1055 PolarHBondContact O-N 2.69Å; F1052-F1057 AromaticContact CD2-CD1 3.9Å; F1052-F1057 HydrophobicContact CD2-CD1 3.9Å; F1052-F1057 AromaticContact CD2-CE1 3.85Å; F1052-F1057 HydrophobicContact CD2-CE1 3.85Å; F1052-F1057 HydrophobicContact CE2-CD1 4.26Å; F1052-F1057 AromaticContact CE2-CE1 3.88Å; F1052-F1057 HydrophobicContact CE2-CE1 3.88Å; F1052-A1060 HydrophobicContact CB-CB 4.11Å; F1052-W1086 HydrophobicContact CD1-CZ3 4.2Å; F1052-W1086 HydrophobicContact CE1-CZ3 4.26Å; F1052-I1089 HydrophobicContact CE1-CG2 4.42Å; F1052-I1089 HydrophobicContact CE2-CG2 4.2Å; F1052-I1089 HydrophobicContact CZ-CG2 3.83Å; F1052-V1090 HydrophobicContact CB-CG2 4.04Å; F1052-V1090 HydrophobicContact CD2-CB 4.45Å; F1052-V1090 HydrophobicContact CD2-CG2 3.7Å; F1052-V1090 HydrophobicContact CE2-CG2 4.43Å; F1052-V1090 HydrophobicContact CG-CG2 4.03Å; F1052-A1093 HydrophobicContact CE2-CB 3.74Å |
| 1053 | D | 70.5 | Confident | 82.7 | Confident | 30 Ų | 30 | 38.7 Ų | 38.7 | 16% | 0.16 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.8 | -29 | 177.7 | -80.9 | -34.1 | 0 | 0 | 0 | 112.9 | V1049 L1050 H1055 R1162 | V1049-D1053 PolarHBondContact O-N 3.17Å; L1050-D1053 PolarHBondContact O-N 2.94Å; D1053-H1055 VanDerWaalsContact C-N 3.28Å; D1053-R1162 IonicContact OD1-CZ 3.32Å; D1053-R1162 IonicContact OD1-NE 3.3Å; D1053-R1162 PolarHBondContact OD1-NE 3.37Å; D1053-R1162 IonicContact OD1-NH2 2.85Å; D1053-R1162 PolarHBondContact OD1-NH2 2.93Å |
| 1054 | Q | 77 | Confident | 82.8 | Confident | 57 Ų | 57 | 38 Ų | 38 | 27% | 0.266 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 8.7 | 171.5 | -68.8 | -173.1 | 11.9 | 0 | 0 | 114.2 | L1017 R1021 L1050 D1051 F1052 H1056 | L1017-Q1054 HydrophobicContact CD1-CG 4.14Å; R1021-Q1054 VanDerWaalsContact CZ-CD 3.42Å; L1050-Q1054 WeakPolarHBondContact O-CG 3.09Å; L1050-Q1054 PolarHBondContact O-N 3.35Å; D1051-Q1054 CarbonylContact O-C 3.55Å; D1051-Q1054 PolarHBondContact O-N 2.96Å; F1052-Q1054 VanDerWaalsContact C-N 3.26Å; F1052-Q1054 PolarHBondContact O-N 2.68Å; Q1054-H1056 PolarHBondContact O-N 3.39Å |
| 1055 | H | 76 | Confident | 83 | Confident | 123 Ų | 123 | 41 Ų | 41 | 57% | 0.569 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | 21.2 | -177.7 | -54.6 | -66.3 | 0 | 0 | 0 | 115 | D1051 F1052 D1053 F1057 | D1051-H1055 PolarHBondContact O-N 3.03Å; F1052-H1055 PolarHBondContact O-N 2.69Å; D1053-H1055 VanDerWaalsContact C-N 3.28Å; H1055-F1057 VanDerWaalsContact C-N 3.31Å; H1055-F1057 HydrophobicContact CB-CE2 4.33Å; H1055-F1057 HydrophobicContact CB-CZ 4.23Å; H1055-F1057 AromaticContact ND1-CZ 3.85Å; H1055-F1057 PolarHBondContact O-N 3.04Å |
| 1056 | H | 83 | Confident | 83.3 | Confident | 98 Ų | 98 | 45 Ų | 45 | 45% | 0.454 | 23% | 0.23 | S | C | . | . | trans | -88.1 | 63.9 | 172.4 | -59.6 | 144 | 0 | 0 | 0 | 111 | D1051 Q1054 D1058 S1059 A1060 | D1051-H1056 HydrophobicContact CB-CB 4.19Å; D1051-H1056 WeakPolarHBondContact O-CA 3.38Å; D1051-H1056 WeakPolarHBondContact O-CB 3.41Å; D1051-H1056 PolarHBondContact O-N 3.27Å; Q1054-H1056 PolarHBondContact O-N 3.39Å; H1056-D1058 VanDerWaalsContact C-N 3.33Å; H1056-D1058 PolarHBondContact O-N 3.24Å; H1056-S1059 WeakPolarHBondContact O-CB 3.45Å; H1056-S1059 PolarHBondContact O-N 2.74Å; H1056-S1059 VanDerWaalsContact O-N 3.13Å; H1056-A1060 PolarHBondContact O-N 3.5Å | ||
| 1057 | F | 80.5 | Confident | 83.6 | Confident | 61 Ų | 61 | 44.3 Ų | 44.3 | 27% | 0.268 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -57.2 | -40.2 | -172.6 | -54.1 | -64.3 | 0 | 0 | 0 | 114 | F1052 H1055 A1060 L1061 V1090 A1093 | F1052-F1057 AromaticContact CD2-CD1 3.9Å; F1052-F1057 HydrophobicContact CD2-CD1 3.9Å; F1052-F1057 AromaticContact CD2-CE1 3.85Å; F1052-F1057 HydrophobicContact CD2-CE1 3.85Å; F1052-F1057 HydrophobicContact CE2-CD1 4.26Å; F1052-F1057 AromaticContact CE2-CE1 3.88Å; F1052-F1057 HydrophobicContact CE2-CE1 3.88Å; H1055-F1057 VanDerWaalsContact C-N 3.31Å; H1055-F1057 HydrophobicContact CB-CE2 4.33Å; H1055-F1057 HydrophobicContact CB-CZ 4.23Å; H1055-F1057 AromaticContact ND1-CZ 3.85Å; H1055-F1057 PolarHBondContact O-N 3.04Å; F1057-A1060 PolarHBondContact O-N 3.49Å; F1057-L1061 WeakPolarHBondContact O-CB 3.31Å; F1057-L1061 VanDerWaalsContact O-CG 3.29Å; F1057-L1061 WeakPolarHBondContact O-CG 3.37Å; F1057-L1061 PolarHBondContact O-N 3.23Å; F1057-V1090 HydrophobicContact CB-CG1 4.48Å; F1057-A1093 HydrophobicContact CD1-CB 4.12Å; F1057-A1093 HydrophobicContact CE1-CB 3.81Å; F1057-A1093 HydrophobicContact CZ-CB 4.46Å |
| 1058 | D | 83.3 | Confident | 83.9 | Confident | 114 Ų | 114 | 43 Ų | 43 | 61% | 0.61 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -67.2 | -38.1 | 179.7 | -71 | -38.6 | 0 | 0 | 0 | 112.2 | H1056 V1062 K1096 | H1056-D1058 VanDerWaalsContact C-N 3.33Å; H1056-D1058 PolarHBondContact O-N 3.24Å; D1058-V1062 WeakPolarHBondContact O-CG2 3.21Å; D1058-V1062 PolarHBondContact O-N 2.91Å; D1058-K1096 IonicContact OD1-NZ 3.95Å |
| 1059 | S | 87 | Confident | 84.2 | Confident | 51 Ų | 51 | 47.6 Ų | 47.6 | 36% | 0.357 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.8 | -47 | 174 | -166.7 | 0 | 0 | 0 | 0 | 110.5 | D1051 H1056 L1061 V1062 I1063 | D1051-S1059 WeakPolarHBondContact OD2-CB 3.43Å; D1051-S1059 PolarHBondContact OD2-OG 3.03Å; H1056-S1059 WeakPolarHBondContact O-CB 3.45Å; H1056-S1059 PolarHBondContact O-N 2.74Å; H1056-S1059 VanDerWaalsContact O-N 3.13Å; S1059-L1061 VanDerWaalsContact C-N 3.32Å; S1059-L1061 PolarHBondContact O-N 3.31Å; S1059-V1062 PolarHBondContact O-N 3.34Å; S1059-I1063 VanDerWaalsContact O-CG1 3.24Å; S1059-I1063 WeakPolarHBondContact O-CG1 3.25Å; S1059-I1063 PolarHBondContact O-N 3.29Å |
| 1060 | A | 84 | Confident | 84.7 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58 | -41.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G1048 D1051 F1052 H1056 F1057 L1064 V1090 | G1048-A1060 VanDerWaalsContact O-CB 3.24Å; G1048-A1060 WeakPolarHBondContact O-CB 3.2Å; D1051-A1060 HydrophobicContact CB-CB 4Å; F1052-A1060 HydrophobicContact CB-CB 4.11Å; H1056-A1060 PolarHBondContact O-N 3.5Å; F1057-A1060 PolarHBondContact O-N 3.49Å; A1060-L1064 VanDerWaalsContact O-CB 3.26Å; A1060-L1064 WeakPolarHBondContact O-CB 3.33Å; A1060-L1064 VanDerWaalsContact O-CG 3.25Å; A1060-L1064 WeakPolarHBondContact O-CG 3.47Å; A1060-L1064 PolarHBondContact O-N 3.02Å; A1060-V1090 HydrophobicContact CB-CG1 3.92Å; A1060-V1090 HydrophobicContact CB-CG2 4.29Å |
| 1061 | L | 87 | Confident | 84.9 | Confident | 18 Ų | 18 | 49.5 Ų | 49.5 | 9% | 0.094 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 176.1 | -76.8 | 173 | 0 | 0 | 0 | 112.4 | F1057 S1059 Q1065 L1087 V1090 L1091 K1096 | F1057-L1061 WeakPolarHBondContact O-CB 3.31Å; F1057-L1061 VanDerWaalsContact O-CG 3.29Å; F1057-L1061 WeakPolarHBondContact O-CG 3.37Å; F1057-L1061 PolarHBondContact O-N 3.23Å; S1059-L1061 VanDerWaalsContact C-N 3.32Å; S1059-L1061 PolarHBondContact O-N 3.31Å; L1061-Q1065 WeakPolarHBondContact O-CB 3.38Å; L1061-Q1065 PolarHBondContact O-N 2.85Å; L1061-L1087 HydrophobicContact CD2-CD1 4.17Å; L1061-V1090 HydrophobicContact CD2-CB 4.1Å; L1061-V1090 HydrophobicContact CD2-CG1 3.66Å; L1061-V1090 HydrophobicContact CG-CG1 3.62Å; L1061-L1091 HydrophobicContact CD1-CD2 4.4Å; L1061-L1091 HydrophobicContact CD2-CD2 3.51Å; L1061-L1091 HydrophobicContact CD2-CG 3.63Å; L1061-K1096 HydrophobicContact CD1-CD 4.31Å |
| 1062 | V | 89.6 | Confident | 85.1 | Confident | 99 Ų | 99 | 52.3 Ų | 52.3 | 60% | 0.6 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -63.7 | -47 | -179.4 | 172 | 0 | 0 | 0 | 0 | 110.2 | D1058 S1059 Q1065 E1066 | D1058-V1062 WeakPolarHBondContact O-CG2 3.21Å; D1058-V1062 PolarHBondContact O-N 2.91Å; S1059-V1062 PolarHBondContact O-N 3.34Å; V1062-Q1065 PolarHBondContact O-N 3.37Å; V1062-E1066 PolarHBondContact O-N 2.99Å |
| 1063 | I | 90.1 | Very high | 85.4 | Confident | 24 Ų | 24 | 55.4 Ų | 55.4 | 12% | 0.123 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67 | -45 | -177.4 | -63.6 | 168.3 | 0 | 0 | 0 | 111.3 | L1044 L1047 D1051 S1059 Q1065 E1066 A1067 | L1044-I1063 HydrophobicContact CB-CG2 3.98Å; L1044-I1063 HydrophobicContact CD2-CG2 4.03Å; L1044-I1063 WeakPolarHBondContact O-CG2 3.32Å; L1047-I1063 HydrophobicContact CB-CD1 4.26Å; L1047-I1063 HydrophobicContact CB-CG2 4Å; D1051-I1063 WeakPolarHBondContact OD2-CD1 3.45Å; S1059-I1063 VanDerWaalsContact O-CG1 3.24Å; S1059-I1063 WeakPolarHBondContact O-CG1 3.25Å; S1059-I1063 PolarHBondContact O-N 3.29Å; I1063-Q1065 VanDerWaalsContact C-N 3.32Å; I1063-Q1065 PolarHBondContact O-N 3.48Å; I1063-E1066 PolarHBondContact O-N 3.3Å; I1063-A1067 PolarHBondContact O-N 3.48Å |
| 1064 | L | 88.3 | Confident | 86 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68.2 | -31.7 | 178.3 | -72.2 | 171.7 | 0 | 0 | 0 | 112.3 | M1045 A1060 A1067 L1068 I1083 W1086 L1087 V1090 | M1045-L1064 HydrophobicContact CG-CD2 4.34Å; A1060-L1064 VanDerWaalsContact O-CB 3.26Å; A1060-L1064 WeakPolarHBondContact O-CB 3.33Å; A1060-L1064 VanDerWaalsContact O-CG 3.25Å; A1060-L1064 WeakPolarHBondContact O-CG 3.47Å; A1060-L1064 PolarHBondContact O-N 3.02Å; L1064-A1067 PolarHBondContact O-N 3.49Å; L1064-L1068 WeakPolarHBondContact O-CB 3.47Å; L1064-L1068 PolarHBondContact O-N 2.92Å; L1064-I1083 HydrophobicContact CD2-CG2 4.46Å; L1064-I1083 VanDerWaalsContact O-CG2 3.25Å; L1064-I1083 WeakPolarHBondContact O-CG2 3.16Å; L1064-W1086 HydrophobicContact CD1-CB 3.91Å; L1064-W1086 HydrophobicContact CD2-CB 4.13Å; L1064-L1087 HydrophobicContact CB-CD1 3.49Å; L1064-L1087 VanDerWaalsContact CB-CD1 3.49Å; L1064-L1087 HydrophobicContact CD1-CD1 4.43Å; L1064-V1090 HydrophobicContact CD1-CB 4.39Å; L1064-V1090 HydrophobicContact CD1-CG2 3.64Å |
| 1065 | Q | 90.7 | Very high | 86.2 | Confident | 79 Ų | 79 | 58.2 Ų | 58.2 | 37% | 0.369 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.8 | -42.9 | 173.8 | -170.9 | 66.6 | 42.7 | 0 | 0 | 111 | L1061 V1062 I1063 A1067 L1068 D1069 L1087 | L1061-Q1065 WeakPolarHBondContact O-CB 3.38Å; L1061-Q1065 PolarHBondContact O-N 2.85Å; V1062-Q1065 PolarHBondContact O-N 3.37Å; I1063-Q1065 VanDerWaalsContact C-N 3.32Å; I1063-Q1065 PolarHBondContact O-N 3.48Å; Q1065-A1067 VanDerWaalsContact C-N 3.34Å; Q1065-L1068 WeakPolarHBondContact O-CB 2.94Å; Q1065-L1068 PolarHBondContact O-N 3.36Å; Q1065-D1069 VanDerWaalsContact O-CG 3.32Å; Q1065-D1069 PolarHBondContact O-N 3.4Å; Q1065-L1087 VanDerWaalsContact OE1-CD2 3.31Å |
| 1066 | E | 92 | Very high | 86 | Confident | 96 Ų | 96 | 53.6 Ų | 53.6 | 45% | 0.449 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.8 | -42.2 | 173.8 | -170 | 178.2 | -179 | 0 | 0 | 111.5 | L1044 V1062 I1063 L1068 D1069 L1070 | L1044-E1066 HydrophobicContact CD1-CB 4.3Å; L1044-E1066 HydrophobicContact CD1-CG 3.85Å; V1062-E1066 PolarHBondContact O-N 2.99Å; I1063-E1066 PolarHBondContact O-N 3.3Å; E1066-L1068 VanDerWaalsContact C-N 3.32Å; E1066-L1068 PolarHBondContact O-N 3.01Å; E1066-D1069 PolarHBondContact O-N 2.9Å; E1066-L1070 WeakPolarHBondContact O-CG 3.07Å; E1066-L1070 PolarHBondContact O-N 2.94Å |
| 1067 | A | 88.7 | Confident | 85.5 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.1 | -40.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | L1044 I1063 L1064 Q1065 L1070 A1071 I1083 | L1044-A1067 HydrophobicContact CB-CB 3.74Å; I1063-A1067 PolarHBondContact O-N 3.48Å; L1064-A1067 PolarHBondContact O-N 3.49Å; Q1065-A1067 VanDerWaalsContact C-N 3.34Å; A1067-L1070 PolarHBondContact O-N 2.86Å; A1067-A1071 WeakPolarHBondContact O-CB 3.43Å; A1067-A1071 PolarHBondContact O-N 3.01Å; A1067-I1083 HydrophobicContact CB-CD1 3.89Å; A1067-I1083 HydrophobicContact CB-CG1 4.38Å; A1067-I1083 HydrophobicContact CB-CG2 4.3Å |
| 1068 | L | 90.5 | Very high | 84.7 | Confident | 10 Ų | 10 | 50.8 Ų | 50.8 | 5% | 0.052 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.8 | -45.4 | 179.4 | -177.2 | 60.7 | 0 | 0 | 0 | 111.2 | L1064 Q1065 E1066 L1070 A1071 V1072 E1080 I1083 R1084 L1087 M1103 | L1064-L1068 WeakPolarHBondContact O-CB 3.47Å; L1064-L1068 PolarHBondContact O-N 2.92Å; Q1065-L1068 WeakPolarHBondContact O-CB 2.94Å; Q1065-L1068 PolarHBondContact O-N 3.36Å; E1066-L1068 VanDerWaalsContact C-N 3.32Å; E1066-L1068 PolarHBondContact O-N 3.01Å; L1068-L1070 VanDerWaalsContact C-N 3.28Å; L1068-L1070 PolarHBondContact O-N 3.22Å; L1068-A1071 PolarHBondContact O-N 3.28Å; L1068-V1072 HydrophobicContact CD1-CG2 4.21Å; L1068-V1072 HydrophobicContact CG-CG2 4.41Å; L1068-V1072 WeakPolarHBondContact O-CB 3.36Å; L1068-V1072 VanDerWaalsContact O-CG2 3.27Å; L1068-V1072 WeakPolarHBondContact O-CG2 3.5Å; L1068-V1072 PolarHBondContact O-N 3.19Å; L1068-E1080 HydrophobicContact CD1-CG 4.03Å; L1068-I1083 HydrophobicContact CB-CG2 3.68Å; L1068-I1083 HydrophobicContact CD1-CB 4.42Å; L1068-I1083 HydrophobicContact CD1-CG2 4.19Å; L1068-I1083 HydrophobicContact CG-CG2 4.48Å; L1068-R1084 HydrophobicContact CD1-CG 3.69Å; L1068-R1084 HydrophobicContact CD2-CG 4.31Å; L1068-L1087 HydrophobicContact CD2-CD2 4.35Å; L1068-M1103 HydrophobicContact CD2-CE 3.44Å; L1068-M1103 VanDerWaalsContact CD2-CE 3.44Å |
| 1069 | D | 89.5 | Confident | 84.2 | Confident | 98 Ų | 98 | 46 Ų | 46 | 52% | 0.524 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.4 | -39.7 | -180 | -67.8 | -18.9 | 0 | 0 | 0 | 111 | Q1065 E1066 A1073 | Q1065-D1069 VanDerWaalsContact O-CG 3.32Å; Q1065-D1069 PolarHBondContact O-N 3.4Å; E1066-D1069 PolarHBondContact O-N 2.9Å; D1069-A1073 WeakPolarHBondContact O-CB 3.18Å; D1069-A1073 PolarHBondContact O-N 3.11Å; D1069-A1073 VanDerWaalsContact O-N 3.09Å |
| 1070 | L | 89.1 | Confident | 84 | Confident | 50 Ų | 50 | 44.6 Ų | 44.6 | 26% | 0.262 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -69 | -41.5 | 173.4 | -69.9 | 170.6 | 0 | 0 | 0 | 112.6 | E1040 I1041 L1044 E1066 A1067 L1068 V1072 A1073 V1074 | E1040-L1070 HydrophobicContact CG-CD1 4.18Å; I1041-L1070 HydrophobicContact CD1-CB 4.14Å; I1041-L1070 HydrophobicContact CG1-CB 3.51Å; I1041-L1070 HydrophobicContact CG1-CD1 4.46Å; L1044-L1070 HydrophobicContact CD1-CD1 3.54Å; E1066-L1070 WeakPolarHBondContact O-CG 3.07Å; E1066-L1070 PolarHBondContact O-N 2.94Å; A1067-L1070 PolarHBondContact O-N 2.86Å; L1068-L1070 VanDerWaalsContact C-N 3.28Å; L1068-L1070 PolarHBondContact O-N 3.22Å; L1070-V1072 VanDerWaalsContact C-N 3.35Å; L1070-V1072 PolarHBondContact O-N 2.99Å; L1070-A1073 WeakPolarHBondContact O-CB 3.49Å; L1070-A1073 PolarHBondContact O-N 2.81Å; L1070-A1073 VanDerWaalsContact O-N 3.17Å; L1070-V1074 WeakPolarHBondContact O-CG2 3.17Å; L1070-V1074 PolarHBondContact O-N 2.76Å |
| 1071 | A | 84.7 | Confident | 83.4 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I1041 A1067 L1068 A1073 V1074 S1075 D1076 L1079 I1083 | I1041-A1071 HydrophobicContact CD1-CB 4.41Å; I1041-A1071 HydrophobicContact CG2-CB 4.12Å; A1067-A1071 WeakPolarHBondContact O-CB 3.43Å; A1067-A1071 PolarHBondContact O-N 3.01Å; L1068-A1071 PolarHBondContact O-N 3.28Å; A1071-A1073 VanDerWaalsContact C-N 3.34Å; A1071-V1074 PolarHBondContact O-N 3.34Å; A1071-S1075 PolarHBondContact O-N 3.35Å; A1071-D1076 PolarHBondContact O-N 2.84Å; A1071-L1079 HydrophobicContact CB-CB 4.29Å; A1071-I1083 HydrophobicContact CB-CD1 3.68Å |
| 1072 | V | 85.9 | Confident | 82.5 | Confident | 72 Ų | 72 | 45.1 Ų | 45.1 | 44% | 0.436 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 172.9 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | L1068 L1070 V1074 S1075 E1080 | L1068-V1072 HydrophobicContact CD1-CG2 4.21Å; L1068-V1072 HydrophobicContact CG-CG2 4.41Å; L1068-V1072 WeakPolarHBondContact O-CB 3.36Å; L1068-V1072 VanDerWaalsContact O-CG2 3.27Å; L1068-V1072 WeakPolarHBondContact O-CG2 3.5Å; L1068-V1072 PolarHBondContact O-N 3.19Å; L1070-V1072 VanDerWaalsContact C-N 3.35Å; L1070-V1072 PolarHBondContact O-N 2.99Å; V1072-V1074 VanDerWaalsContact C-N 3.35Å; V1072-V1074 PolarHBondContact O-N 3.34Å; V1072-S1075 PolarHBondContact O-N 2.88Å; V1072-E1080 HydrophobicContact CG2-CG 3.91Å |
| 1073 | A | 86 | Confident | 82.1 | Confident | 83 Ų | 83 | 40.4 Ų | 40.4 | 69% | 0.686 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -66.6 | -33.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | D1069 L1070 A1071 S1075 | D1069-A1073 WeakPolarHBondContact O-CB 3.18Å; D1069-A1073 PolarHBondContact O-N 3.11Å; D1069-A1073 VanDerWaalsContact O-N 3.09Å; L1070-A1073 WeakPolarHBondContact O-CB 3.49Å; L1070-A1073 PolarHBondContact O-N 2.81Å; L1070-A1073 VanDerWaalsContact O-N 3.17Å; A1071-A1073 VanDerWaalsContact C-N 3.34Å; A1073-S1075 VanDerWaalsContact C-N 3.33Å |
| 1074 | V | 82.2 | Confident | 81.8 | Confident | 52 Ų | 52 | 40.8 Ų | 40.8 | 32% | 0.315 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -83.2 | -11.4 | 176.8 | 177 | 0 | 0 | 0 | 0 | 112.1 | I1041 L1070 A1071 V1072 D1076 | I1041-V1074 HydrophobicContact CD1-CB 4.06Å; I1041-V1074 HydrophobicContact CD1-CG2 3.75Å; L1070-V1074 WeakPolarHBondContact O-CG2 3.17Å; L1070-V1074 PolarHBondContact O-N 2.76Å; A1071-V1074 PolarHBondContact O-N 3.34Å; V1072-V1074 VanDerWaalsContact C-N 3.35Å; V1072-V1074 PolarHBondContact O-N 3.34Å; V1074-D1076 HydrophobicContact CG1-CB 4.3Å; V1074-D1076 PolarHBondContact O-N 3.03Å |
| 1075 | S | 81.5 | Confident | 81.1 | Confident | 94 Ų | 94 | 41.7 Ų | 41.7 | 66% | 0.657 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 31.9 | -175.4 | 52.9 | 0 | 0 | 0 | 0 | 113.7 | A1071 V1072 A1073 I1077 | A1071-S1075 PolarHBondContact O-N 3.35Å; V1072-S1075 PolarHBondContact O-N 2.88Å; A1073-S1075 VanDerWaalsContact C-N 3.33Å; S1075-I1077 PolarHBondContact O-N 3.05Å |
| 1076 | D | 73.4 | Confident | 80.4 | Confident | 26 Ų | 26 | 38.6 Ų | 38.6 | 14% | 0.139 | 22% | 0.22 | C | C | . | . | trans | -88.2 | 89.1 | 173.3 | -166.3 | -27.7 | 0 | 0 | 0 | 109.6 | K1038 A1071 V1074 Q1078 L1079 E1080 | K1038-D1076 IonicContact NZ-OD2 2.76Å; K1038-D1076 PolarHBondContact NZ-OD2 2.54Å; A1071-D1076 PolarHBondContact O-N 2.84Å; V1074-D1076 HydrophobicContact CG1-CB 4.3Å; V1074-D1076 PolarHBondContact O-N 3.03Å; D1076-Q1078 PolarHBondContact O-N 3.36Å; D1076-Q1078 VanDerWaalsContact O-N 3.12Å; D1076-Q1078 PolarHBondContact OD1-N 3.12Å; D1076-L1079 HydrophobicContact CB-CB 4.29Å; D1076-L1079 HydrophobicContact CB-CD1 4.15Å; D1076-L1079 PolarHBondContact O-N 3.48Å; D1076-E1080 WeakPolarHBondContact O-CB 3.47Å; D1076-E1080 PolarHBondContact O-N 3.19Å | ||
| 1077 | I | 71.8 | Confident | 80 | Confident | 54 Ų | 54 | 34.2 Ų | 34.2 | 28% | 0.277 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -52 | -35.5 | -176.7 | -68.4 | 152.9 | 0 | 0 | 0 | 112.5 | S1075 E1080 T1081 L1110 H1114 | S1075-I1077 PolarHBondContact O-N 3.05Å; I1077-E1080 WeakPolarHBondContact O-CB 3.36Å; I1077-E1080 PolarHBondContact O-N 3.13Å; I1077-T1081 PolarHBondContact O-N 3.32Å; I1077-T1081 PolarHBondContact O-OG1 2.93Å; I1077-L1110 HydrophobicContact CG2-CD2 4.25Å; I1077-H1114 WeakPolarHBondContact CD1-NE2 3.4Å; I1077-H1114 HydrophobicContact CG2-CB 3.76Å; I1077-H1114 WeakPolarHBondContact CG2-CD2 3.35Å |
| 1078 | Q | 64.1 | Low | 79.4 | Confident | 46 Ų | 46 | 34.2 Ų | 34.2 | 22% | 0.215 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.3 | -49.7 | -177.7 | -78.6 | 170.6 | -35.8 | 0 | 0 | 111.1 | D1076 E1080 T1081 E1082 R1128 C1129 | D1076-Q1078 PolarHBondContact O-N 3.36Å; D1076-Q1078 VanDerWaalsContact O-N 3.12Å; D1076-Q1078 PolarHBondContact OD1-N 3.12Å; Q1078-E1080 VanDerWaalsContact C-N 3.26Å; Q1078-E1080 PolarHBondContact O-N 3.17Å; Q1078-T1081 WeakPolarHBondContact CA-OG1 3.49Å; Q1078-T1081 PolarHBondContact O-N 3.26Å; Q1078-T1081 PolarHBondContact O-OG1 3.02Å; Q1078-E1082 PolarHBondContact O-N 3.4Å; Q1078-R1128 PolarHBondContact NE2-O 3.36Å; Q1078-R1128 VanDerWaalsContact NE2-O 3.1Å; Q1078-R1128 PolarHBondContact OE1-O 2.95Å; Q1078-C1129 PolarHBondContact NE2-SG 3.49Å |
| 1079 | L | 72.9 | Confident | 78.6 | Confident | 13 Ų | 13 | 34.7 Ų | 34.7 | 7% | 0.068 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.1 | -39.6 | 173.4 | -76.8 | 170.5 | 0 | 0 | 0 | 110.9 | K1038 I1041 V1042 M1045 A1071 D1076 T1081 E1082 I1083 | K1038-L1079 HydrophobicContact CD-CD1 4.43Å; K1038-L1079 HydrophobicContact CG-CD1 3.91Å; I1041-L1079 HydrophobicContact CB-CD1 4.45Å; I1041-L1079 HydrophobicContact CG2-CB 4.39Å; I1041-L1079 HydrophobicContact CG2-CD1 4Å; I1041-L1079 HydrophobicContact CG2-CD2 4.37Å; V1042-L1079 HydrophobicContact CG2-CD2 4.08Å; M1045-L1079 HydrophobicContact CE-CD2 4.45Å; M1045-L1079 HydrophobicContact SD-CD2 4.49Å; A1071-L1079 HydrophobicContact CB-CB 4.29Å; D1076-L1079 HydrophobicContact CB-CB 4.29Å; D1076-L1079 HydrophobicContact CB-CD1 4.15Å; D1076-L1079 PolarHBondContact O-N 3.48Å; L1079-T1081 PolarHBondContact O-N 3.37Å; L1079-E1082 PolarHBondContact O-N 2.99Å; L1079-I1083 HydrophobicContact CB-CD1 4.41Å; L1079-I1083 WeakPolarHBondContact O-CB 3.38Å; L1079-I1083 WeakPolarHBondContact O-CD1 3.41Å; L1079-I1083 WeakPolarHBondContact O-CG1 3.38Å; L1079-I1083 PolarHBondContact O-N 3.34Å |
| 1080 | E | 81.8 | Confident | 78.1 | Confident | 22 Ų | 22 | 30 Ų | 30 | 10% | 0.103 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.2 | -47.4 | 175.8 | -156.1 | -172.3 | 150.2 | 0 | 0 | 111.4 | L1068 V1072 D1076 I1077 Q1078 R1084 L1110 | L1068-E1080 HydrophobicContact CD1-CG 4.03Å; V1072-E1080 HydrophobicContact CG2-CG 3.91Å; D1076-E1080 WeakPolarHBondContact O-CB 3.47Å; D1076-E1080 PolarHBondContact O-N 3.19Å; I1077-E1080 WeakPolarHBondContact O-CB 3.36Å; I1077-E1080 PolarHBondContact O-N 3.13Å; Q1078-E1080 VanDerWaalsContact C-N 3.26Å; Q1078-E1080 PolarHBondContact O-N 3.17Å; E1080-R1084 VanDerWaalsContact CG-NH1 3.26Å; E1080-R1084 WeakPolarHBondContact O-CB 3.13Å; E1080-R1084 VanDerWaalsContact O-CG 3.25Å; E1080-R1084 WeakPolarHBondContact O-CG 3.42Å; E1080-R1084 PolarHBondContact O-N 3.43Å; E1080-R1084 IonicContact OE1-CZ 3.03Å; E1080-R1084 IonicContact OE1-NH1 2.63Å; E1080-R1084 PolarHBondContact OE1-NH1 2.86Å; E1080-R1084 IonicContact OE1-NH2 2.64Å; E1080-R1084 PolarHBondContact OE1-NH2 3.14Å; E1080-L1110 HydrophobicContact CG-CD2 4.31Å; E1080-L1110 WeakPolarHBondContact OE1-CD2 3.32Å |
| 1081 | T | 70.8 | Confident | 77.7 | Confident | 14 Ų | 14 | 28.2 Ų | 28.2 | 9% | 0.086 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.6 | -45.1 | 175.4 | 39.6 | 0 | 0 | 0 | 0 | 112.9 | I1077 Q1078 L1079 R1084 L1085 L1110 A1111 | I1077-T1081 PolarHBondContact O-N 3.32Å; I1077-T1081 PolarHBondContact O-OG1 2.93Å; Q1078-T1081 WeakPolarHBondContact CA-OG1 3.49Å; Q1078-T1081 PolarHBondContact O-N 3.26Å; Q1078-T1081 PolarHBondContact O-OG1 3.02Å; L1079-T1081 PolarHBondContact O-N 3.37Å; T1081-R1084 PolarHBondContact O-N 3.39Å; T1081-L1085 WeakPolarHBondContact O-CB 3.18Å; T1081-L1085 PolarHBondContact O-N 3.43Å; T1081-L1110 HydrophobicContact CG2-CB 3.4Å; T1081-A1111 HydrophobicContact CG2-CB 4.3Å |
| 1082 | E | 69.7 | Low | 77.1 | Confident | 16 Ų | 16 | 29.5 Ų | 29.5 | 8% | 0.075 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64 | -43.1 | 179.3 | -76 | -176 | -172.7 | 0 | 0 | 111.8 | M1045 Q1078 L1079 L1085 W1086 I1131 | M1045-E1082 HydrophobicContact SD-CB 4.25Å; Q1078-E1082 PolarHBondContact O-N 3.4Å; L1079-E1082 PolarHBondContact O-N 2.99Å; E1082-L1085 VanDerWaalsContact O-CB 3.31Å; E1082-L1085 WeakPolarHBondContact O-CB 3.18Å; E1082-L1085 PolarHBondContact O-N 3.37Å; E1082-W1086 VanDerWaalsContact O-CD1 3.29Å; E1082-W1086 PolarHBondContact O-N 2.71Å; E1082-I1131 HydrophobicContact CG-CD1 4.42Å |
| 1083 | I | 81.2 | Confident | 76.4 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -69.2 | -40.4 | 179.1 | -64.3 | 161 | 0 | 0 | 0 | 110.6 | I1041 M1045 L1064 A1067 L1068 A1071 L1079 L1085 W1086 L1087 | I1041-I1083 HydrophobicContact CG2-CD1 3.6Å; M1045-I1083 HydrophobicContact CB-CG1 4.36Å; M1045-I1083 HydrophobicContact CG-CG1 4.07Å; M1045-I1083 HydrophobicContact SD-CG1 3.92Å; L1064-I1083 HydrophobicContact CD2-CG2 4.46Å; L1064-I1083 VanDerWaalsContact O-CG2 3.25Å; L1064-I1083 WeakPolarHBondContact O-CG2 3.16Å; A1067-I1083 HydrophobicContact CB-CD1 3.89Å; A1067-I1083 HydrophobicContact CB-CG1 4.38Å; A1067-I1083 HydrophobicContact CB-CG2 4.3Å; L1068-I1083 HydrophobicContact CB-CG2 3.68Å; L1068-I1083 HydrophobicContact CD1-CB 4.42Å; L1068-I1083 HydrophobicContact CD1-CG2 4.19Å; L1068-I1083 HydrophobicContact CG-CG2 4.48Å; A1071-I1083 HydrophobicContact CB-CD1 3.68Å; L1079-I1083 HydrophobicContact CB-CD1 4.41Å; L1079-I1083 WeakPolarHBondContact O-CB 3.38Å; L1079-I1083 WeakPolarHBondContact O-CD1 3.41Å; L1079-I1083 WeakPolarHBondContact O-CG1 3.38Å; L1079-I1083 PolarHBondContact O-N 3.34Å; I1083-L1085 VanDerWaalsContact C-N 3.29Å; I1083-L1085 PolarHBondContact O-N 2.92Å; I1083-W1086 PolarHBondContact O-N 3.42Å; I1083-L1087 WeakPolarHBondContact O-CB 3.13Å; I1083-L1087 PolarHBondContact O-N 3.11Å |
| 1084 | R | 83.2 | Confident | 75.9 | Confident | 32 Ų | 32 | 25 Ų | 25 | 12% | 0.121 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.3 | -36.6 | 174.4 | -72.7 | -153.7 | -179.7 | 93.6 | 1 | 112.7 | L1068 E1080 T1081 G1088 M1103 S1106 A1107 | L1068-R1084 HydrophobicContact CD1-CG 3.69Å; L1068-R1084 HydrophobicContact CD2-CG 4.31Å; E1080-R1084 VanDerWaalsContact CG-NH1 3.26Å; E1080-R1084 WeakPolarHBondContact O-CB 3.13Å; E1080-R1084 VanDerWaalsContact O-CG 3.25Å; E1080-R1084 WeakPolarHBondContact O-CG 3.42Å; E1080-R1084 PolarHBondContact O-N 3.43Å; E1080-R1084 IonicContact OE1-CZ 3.03Å; E1080-R1084 IonicContact OE1-NH1 2.63Å; E1080-R1084 PolarHBondContact OE1-NH1 2.86Å; E1080-R1084 IonicContact OE1-NH2 2.64Å; E1080-R1084 PolarHBondContact OE1-NH2 3.14Å; T1081-R1084 PolarHBondContact O-N 3.39Å; R1084-G1088 PolarHBondContact O-N 3.13Å; R1084-M1103 HydrophobicContact CB-CE 4.1Å; R1084-M1103 HydrophobicContact CG-CE 3.61Å; R1084-S1106 WeakPolarHBondContact CD-OG 3.46Å; R1084-S1106 PolarHBondContact NE-OG 3.39Å; R1084-A1107 HydrophobicContact CB-CB 3.73Å |
| 1085 | L | 72.7 | Confident | 75.5 | Confident | 19 Ų | 19 | 29 Ų | 29 | 10% | 0.099 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.2 | -52.5 | 174.1 | -160.6 | 100 | 0 | 0 | 0 | 110.9 | T1081 E1082 I1083 G1088 I1089 V1139 | T1081-L1085 WeakPolarHBondContact O-CB 3.18Å; T1081-L1085 PolarHBondContact O-N 3.43Å; E1082-L1085 VanDerWaalsContact O-CB 3.31Å; E1082-L1085 WeakPolarHBondContact O-CB 3.18Å; E1082-L1085 PolarHBondContact O-N 3.37Å; I1083-L1085 VanDerWaalsContact C-N 3.29Å; I1083-L1085 PolarHBondContact O-N 2.92Å; L1085-G1088 WeakPolarHBondContact O-CA 3.37Å; L1085-G1088 PolarHBondContact O-N 3.29Å; L1085-I1089 HydrophobicContact CD2-CD1 4.26Å; L1085-I1089 HydrophobicContact CG-CD1 4.5Å; L1085-I1089 WeakPolarHBondContact O-CG1 3.24Å; L1085-I1089 PolarHBondContact O-N 3.46Å; L1085-V1139 HydrophobicContact CD1-CB 4.2Å; L1085-V1139 HydrophobicContact CD1-CG1 3.54Å; L1085-V1139 HydrophobicContact CD1-CG2 3.6Å; L1085-V1139 HydrophobicContact CD2-CG2 4.17Å; L1085-V1139 HydrophobicContact CG-CG2 4.26Å |
| 1086 | W | 76.7 | Confident | 75.3 | Confident | 14 Ų | 14 | 28.3 Ų | 28.3 | 5% | 0.053 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.1 | -43.4 | 178.4 | -81.8 | 125 | 0 | 0 | 0 | 112.2 | V1049 F1052 L1064 E1082 I1083 G1088 I1089 V1090 R1165 | V1049-W1086 HydrophobicContact CB-CZ2 4.27Å; V1049-W1086 HydrophobicContact CG1-CH2 3.76Å; V1049-W1086 HydrophobicContact CG1-CZ2 3.67Å; V1049-W1086 HydrophobicContact CG1-CZ3 4.46Å; V1049-W1086 HydrophobicContact CG2-CD2 3.72Å; V1049-W1086 HydrophobicContact CG2-CE3 4.26Å; V1049-W1086 HydrophobicContact CG2-CG 4.08Å; V1049-W1086 HydrophobicContact CG2-CH2 4.12Å; V1049-W1086 HydrophobicContact CG2-CZ2 3.49Å; V1049-W1086 VanDerWaalsContact CG2-CZ2 3.49Å; V1049-W1086 HydrophobicContact CG2-CZ3 4.47Å; F1052-W1086 HydrophobicContact CD1-CZ3 4.2Å; F1052-W1086 HydrophobicContact CE1-CZ3 4.26Å; L1064-W1086 HydrophobicContact CD1-CB 3.91Å; L1064-W1086 HydrophobicContact CD2-CB 4.13Å; E1082-W1086 VanDerWaalsContact O-CD1 3.29Å; E1082-W1086 PolarHBondContact O-N 2.71Å; I1083-W1086 PolarHBondContact O-N 3.42Å; W1086-G1088 VanDerWaalsContact C-N 3.26Å; W1086-G1088 PolarHBondContact O-N 3.04Å; W1086-I1089 HydrophobicContact CE3-CB 4.48Å; W1086-I1089 HydrophobicContact CE3-CD1 4.04Å; W1086-I1089 HydrophobicContact CZ3-CD1 4.37Å; W1086-I1089 PolarHBondContact O-N 2.93Å; W1086-I1089 VanDerWaalsContact O-N 3.12Å; W1086-V1090 VanDerWaalsContact O-CG2 3.31Å; W1086-V1090 WeakPolarHBondContact O-CG2 3.5Å; W1086-V1090 PolarHBondContact O-N 2.91Å; W1086-R1165 VanDerWaalsContact CE2-CZ 3.41Å; W1086-R1165 VanDerWaalsContact NE1-NH1 3.15Å |
| 1087 | L | 84.1 | Confident | 75 | Confident | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.016 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.8 | -39.9 | 175.2 | -157.1 | 81.6 | 0 | 0 | 0 | 110.6 | L1061 L1064 Q1065 L1068 I1083 V1090 L1091 M1103 | L1061-L1087 HydrophobicContact CD2-CD1 4.17Å; L1064-L1087 HydrophobicContact CB-CD1 3.49Å; L1064-L1087 VanDerWaalsContact CB-CD1 3.49Å; L1064-L1087 HydrophobicContact CD1-CD1 4.43Å; Q1065-L1087 VanDerWaalsContact OE1-CD2 3.31Å; L1068-L1087 HydrophobicContact CD2-CD2 4.35Å; I1083-L1087 WeakPolarHBondContact O-CB 3.13Å; I1083-L1087 PolarHBondContact O-N 3.11Å; L1087-V1090 PolarHBondContact O-N 3.24Å; L1087-L1091 HydrophobicContact CD2-CD1 4.07Å; L1087-L1091 HydrophobicContact CG-CD1 3.95Å; L1087-L1091 HydrophobicContact CG-CG 4.34Å; L1087-L1091 WeakPolarHBondContact O-CB 3.43Å; L1087-L1091 WeakPolarHBondContact O-CD1 3.4Å; L1087-L1091 WeakPolarHBondContact O-CG 3.33Å; L1087-L1091 PolarHBondContact O-N 3.31Å; L1087-M1103 HydrophobicContact CB-CE 4.27Å; L1087-M1103 HydrophobicContact CD2-CE 3.39Å; L1087-M1103 HydrophobicContact CD2-CG 3.99Å; L1087-M1103 HydrophobicContact CD2-SD 4.07Å; L1087-M1103 HydrophobicContact CG-CE 4.42Å |
| 1088 | G | 76.3 | Confident | 75.1 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.8 | -46.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | R1084 L1085 W1086 W1092 A1100 | R1084-G1088 PolarHBondContact O-N 3.13Å; L1085-G1088 WeakPolarHBondContact O-CA 3.37Å; L1085-G1088 PolarHBondContact O-N 3.29Å; W1086-G1088 VanDerWaalsContact C-N 3.26Å; W1086-G1088 PolarHBondContact O-N 3.04Å; G1088-W1092 WeakPolarHBondContact O-CB 3.36Å; G1088-W1092 PolarHBondContact O-N 3.44Å; G1088-A1100 WeakPolarHBondContact O-CB 3.3Å |
| 1089 | I | 73.1 | Confident | 75.9 | Confident | 20 Ų | 20 | 38.4 Ų | 38.4 | 10% | 0.103 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.5 | -44.5 | 177.4 | -65.2 | 165.5 | 0 | 0 | 0 | 111.6 | F1052 L1085 W1086 W1092 A1093 L1142 | F1052-I1089 HydrophobicContact CE1-CG2 4.42Å; F1052-I1089 HydrophobicContact CE2-CG2 4.2Å; F1052-I1089 HydrophobicContact CZ-CG2 3.83Å; L1085-I1089 HydrophobicContact CD2-CD1 4.26Å; L1085-I1089 HydrophobicContact CG-CD1 4.5Å; L1085-I1089 WeakPolarHBondContact O-CG1 3.24Å; L1085-I1089 PolarHBondContact O-N 3.46Å; W1086-I1089 HydrophobicContact CE3-CB 4.48Å; W1086-I1089 HydrophobicContact CE3-CD1 4.04Å; W1086-I1089 HydrophobicContact CZ3-CD1 4.37Å; W1086-I1089 PolarHBondContact O-N 2.93Å; W1086-I1089 VanDerWaalsContact O-N 3.12Å; I1089-W1092 PolarHBondContact O-N 3.1Å; I1089-A1093 WeakPolarHBondContact O-CB 3.44Å; I1089-A1093 PolarHBondContact O-N 3.38Å; I1089-L1142 HydrophobicContact CG1-CD2 4.36Å |
| 1090 | V | 78.7 | Confident | 75.9 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -69.6 | -39.8 | 179.4 | -178.7 | 0 | 0 | 0 | 0 | 111.4 | F1052 F1057 A1060 L1061 L1064 W1086 L1087 W1092 A1093 S1094 | F1052-V1090 HydrophobicContact CB-CG2 4.04Å; F1052-V1090 HydrophobicContact CD2-CB 4.45Å; F1052-V1090 HydrophobicContact CD2-CG2 3.7Å; F1052-V1090 HydrophobicContact CE2-CG2 4.43Å; F1052-V1090 HydrophobicContact CG-CG2 4.03Å; F1057-V1090 HydrophobicContact CB-CG1 4.48Å; A1060-V1090 HydrophobicContact CB-CG1 3.92Å; A1060-V1090 HydrophobicContact CB-CG2 4.29Å; L1061-V1090 HydrophobicContact CD2-CB 4.1Å; L1061-V1090 HydrophobicContact CD2-CG1 3.66Å; L1061-V1090 HydrophobicContact CG-CG1 3.62Å; L1064-V1090 HydrophobicContact CD1-CB 4.39Å; L1064-V1090 HydrophobicContact CD1-CG2 3.64Å; W1086-V1090 VanDerWaalsContact O-CG2 3.31Å; W1086-V1090 WeakPolarHBondContact O-CG2 3.5Å; W1086-V1090 PolarHBondContact O-N 2.91Å; L1087-V1090 PolarHBondContact O-N 3.24Å; V1090-W1092 VanDerWaalsContact C-N 3.28Å; V1090-W1092 PolarHBondContact O-N 3.32Å; V1090-A1093 PolarHBondContact O-N 3.18Å; V1090-S1094 WeakPolarHBondContact O-CB 3.43Å; V1090-S1094 PolarHBondContact O-N 2.86Å; V1090-S1094 PolarHBondContact O-OG 2.86Å |
| 1091 | L | 81.4 | Confident | 75.3 | Confident | 12 Ų | 12 | 42.4 Ų | 42.4 | 6% | 0.063 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.7 | -39.1 | 173.3 | -74.8 | 166.1 | 0 | 0 | 0 | 111.1 | L1061 L1087 S1094 D1095 K1096 K1099 A1100 M1103 | L1061-L1091 HydrophobicContact CD1-CD2 4.4Å; L1061-L1091 HydrophobicContact CD2-CD2 3.51Å; L1061-L1091 HydrophobicContact CD2-CG 3.63Å; L1087-L1091 HydrophobicContact CD2-CD1 4.07Å; L1087-L1091 HydrophobicContact CG-CD1 3.95Å; L1087-L1091 HydrophobicContact CG-CG 4.34Å; L1087-L1091 WeakPolarHBondContact O-CB 3.43Å; L1087-L1091 WeakPolarHBondContact O-CD1 3.4Å; L1087-L1091 WeakPolarHBondContact O-CG 3.33Å; L1087-L1091 PolarHBondContact O-N 3.31Å; L1091-S1094 WeakPolarHBondContact CA-OG 3.35Å; L1091-S1094 PolarHBondContact O-N 3.4Å; L1091-S1094 PolarHBondContact O-OG 3.39Å; L1091-D1095 PolarHBondContact O-N 3.35Å; L1091-K1096 HydrophobicContact CB-CB 4.4Å; L1091-K1096 HydrophobicContact CD2-CB 4Å; L1091-K1096 HydrophobicContact CD2-CD 3.83Å; L1091-K1096 WeakPolarHBondContact O-CA 3.49Å; L1091-K1096 WeakPolarHBondContact O-CB 2.97Å; L1091-K1096 PolarHBondContact O-N 3.18Å; L1091-K1099 HydrophobicContact CD1-CB 3.85Å; L1091-K1099 HydrophobicContact CD2-CB 3.95Å; L1091-K1099 HydrophobicContact CD2-CD 4.25Å; L1091-K1099 HydrophobicContact CG-CB 4.37Å; L1091-A1100 HydrophobicContact CB-CB 3.75Å; L1091-M1103 HydrophobicContact CD1-CB 4.31Å; L1091-M1103 HydrophobicContact CD1-CG 3.58Å |
| 1092 | W | 72.2 | Confident | 75.6 | Confident | 27 Ų | 27 | 47.2 Ų | 47.2 | 10% | 0.102 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.2 | -45.1 | 176.3 | -179.8 | 82.6 | 0 | 0 | 0 | 111.3 | G1088 I1089 V1090 S1094 D1095 L1097 A1100 S1154 L1155 A1158 | G1088-W1092 WeakPolarHBondContact O-CB 3.36Å; G1088-W1092 PolarHBondContact O-N 3.44Å; I1089-W1092 PolarHBondContact O-N 3.1Å; V1090-W1092 VanDerWaalsContact C-N 3.28Å; V1090-W1092 PolarHBondContact O-N 3.32Å; W1092-S1094 VanDerWaalsContact C-N 3.28Å; W1092-S1094 PolarHBondContact O-N 3.11Å; W1092-D1095 PolarHBondContact O-N 3.22Å; W1092-D1095 VanDerWaalsContact O-N 3.14Å; W1092-L1097 HydrophobicContact CG-CD2 4.48Å; W1092-A1100 HydrophobicContact CB-CB 3.76Å; W1092-S1154 VanDerWaalsContact CZ2-OG 3.26Å; W1092-S1154 WeakPolarHBondContact CZ2-OG 3.35Å; W1092-S1154 PolarHBondContact NE1-OG 3.06Å; W1092-L1155 HydrophobicContact CH2-CB 3.35Å; W1092-L1155 HydrophobicContact CH2-CD1 3.37Å; W1092-L1155 HydrophobicContact CH2-CG 3.79Å; W1092-L1155 VanDerWaalsContact CZ2-CA 3.48Å; W1092-L1155 HydrophobicContact CZ2-CB 3.79Å; W1092-L1155 HydrophobicContact CZ2-CD1 4.43Å; W1092-L1155 VanDerWaalsContact CZ2-N 3.25Å; W1092-L1155 HydrophobicContact CZ3-CB 4.44Å; W1092-L1155 HydrophobicContact CZ3-CD1 3.94Å; W1092-A1158 HydrophobicContact CE3-CB 4.02Å; W1092-A1158 HydrophobicContact CH2-CB 4.33Å; W1092-A1158 HydrophobicContact CZ3-CB 3.74Å |
| 1093 | A | 69.8 | Low | 76.1 | Confident | 35 Ų | 35 | 48 Ų | 48 | 29% | 0.289 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -67.5 | -23.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | F1052 F1057 I1089 V1090 D1095 | F1052-A1093 HydrophobicContact CE2-CB 3.74Å; F1057-A1093 HydrophobicContact CD1-CB 4.12Å; F1057-A1093 HydrophobicContact CE1-CB 3.81Å; F1057-A1093 HydrophobicContact CZ-CB 4.46Å; I1089-A1093 WeakPolarHBondContact O-CB 3.44Å; I1089-A1093 PolarHBondContact O-N 3.38Å; V1090-A1093 PolarHBondContact O-N 3.18Å; A1093-D1095 VanDerWaalsContact C-N 3.31Å |
| 1094 | S | 76.7 | Confident | 75.6 | Confident | 27 Ų | 27 | 48.1 Ų | 48.1 | 19% | 0.189 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 15.6 | 174 | 57.8 | 0 | 0 | 0 | 0 | 113.7 | V1090 L1091 W1092 K1096 | V1090-S1094 WeakPolarHBondContact O-CB 3.43Å; V1090-S1094 PolarHBondContact O-N 2.86Å; V1090-S1094 PolarHBondContact O-OG 2.86Å; L1091-S1094 WeakPolarHBondContact CA-OG 3.35Å; L1091-S1094 PolarHBondContact O-N 3.4Å; L1091-S1094 PolarHBondContact O-OG 3.39Å; W1092-S1094 VanDerWaalsContact C-N 3.28Å; W1092-S1094 PolarHBondContact O-N 3.11Å; S1094-K1096 PolarHBondContact O-N 3.39Å |
| 1095 | D | 72.7 | Confident | 74.9 | Confident | 135 Ų | 135 | 50.3 Ų | 50.3 | 72% | 0.722 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.5 | 20.9 | 176.2 | -136.8 | 13.5 | 0 | 0 | 0 | 114.3 | L1091 W1092 A1093 L1097 | L1091-D1095 PolarHBondContact O-N 3.35Å; W1092-D1095 PolarHBondContact O-N 3.22Å; W1092-D1095 VanDerWaalsContact O-N 3.14Å; A1093-D1095 VanDerWaalsContact C-N 3.31Å; D1095-L1097 PolarHBondContact O-N 3.17Å |
| 1096 | K | 77.9 | Confident | 75.1 | Confident | 80 Ų | 80 | 50.9 Ų | 50.9 | 35% | 0.348 | 25% | 0.249 | S | C | . | . | trans | -95.7 | 58.1 | 177.6 | -65 | 169.9 | -173.2 | 162.3 | 0 | 110.7 | D1058 L1061 L1091 S1094 E1098 K1099 A1100 | D1058-K1096 IonicContact OD1-NZ 3.95Å; L1061-K1096 HydrophobicContact CD1-CD 4.31Å; L1091-K1096 HydrophobicContact CB-CB 4.4Å; L1091-K1096 HydrophobicContact CD2-CB 4Å; L1091-K1096 HydrophobicContact CD2-CD 3.83Å; L1091-K1096 WeakPolarHBondContact O-CA 3.49Å; L1091-K1096 WeakPolarHBondContact O-CB 2.97Å; L1091-K1096 PolarHBondContact O-N 3.18Å; S1094-K1096 PolarHBondContact O-N 3.39Å; K1096-E1098 PolarHBondContact O-N 3.46Å; K1096-K1099 HydrophobicContact CB-CB 4.46Å; K1096-K1099 PolarHBondContact O-N 3.34Å; K1096-K1099 VanDerWaalsContact O-N 3.14Å; K1096-A1100 PolarHBondContact O-N 2.89Å | ||
| 1097 | L | 68 | Low | 74.7 | Confident | 54 Ų | 54 | 50.4 Ų | 50.4 | 28% | 0.283 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -55 | -41.6 | -168.4 | -61.1 | 175.6 | 0 | 0 | 0 | 114.9 | W1092 D1095 A1100 R1101 | W1092-L1097 HydrophobicContact CG-CD2 4.48Å; D1095-L1097 PolarHBondContact O-N 3.17Å; L1097-A1100 WeakPolarHBondContact O-CB 3.29Å; L1097-A1100 PolarHBondContact O-N 3.19Å; L1097-R1101 WeakPolarHBondContact O-CB 3.34Å; L1097-R1101 PolarHBondContact O-N 3.49Å |
| 1098 | E | 72.8 | Confident | 73.8 | Confident | 164 Ų | 164 | 54.7 Ų | 54.7 | 77% | 0.766 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -64.9 | -43.2 | 178.7 | -74.9 | -173.4 | 164.9 | 0 | 0 | 112.4 | K1096 R1101 M1102 | K1096-E1098 PolarHBondContact O-N 3.46Å; E1098-R1101 PolarHBondContact O-N 2.93Å; E1098-M1102 PolarHBondContact O-N 3.18Å; E1098-M1102 VanDerWaalsContact O-N 3.09Å |
| 1099 | K | 80.2 | Confident | 73.4 | Confident | 120 Ų | 120 | 57.4 Ų | 57.4 | 52% | 0.522 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67.7 | -40.7 | 176.9 | -66.1 | -174.1 | 176.9 | -176 | 0 | 110.4 | L1091 K1096 R1101 M1102 M1103 | L1091-K1099 HydrophobicContact CD1-CB 3.85Å; L1091-K1099 HydrophobicContact CD2-CB 3.95Å; L1091-K1099 HydrophobicContact CD2-CD 4.25Å; L1091-K1099 HydrophobicContact CG-CB 4.37Å; K1096-K1099 HydrophobicContact CB-CB 4.46Å; K1096-K1099 PolarHBondContact O-N 3.34Å; K1096-K1099 VanDerWaalsContact O-N 3.14Å; K1099-R1101 VanDerWaalsContact C-N 3.31Å; K1099-R1101 PolarHBondContact O-N 3.04Å; K1099-M1102 HydrophobicContact CG-CE 4.26Å; K1099-M1102 PolarHBondContact O-N 2.87Å; K1099-M1103 VanDerWaalsContact O-CG 3.31Å; K1099-M1103 WeakPolarHBondContact O-CG 3.2Å; K1099-M1103 PolarHBondContact O-N 3.25Å |
| 1100 | A | 73.9 | Confident | 73 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.2 | -46.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | G1088 L1091 W1092 K1096 L1097 M1103 L1104 | G1088-A1100 WeakPolarHBondContact O-CB 3.3Å; L1091-A1100 HydrophobicContact CB-CB 3.75Å; W1092-A1100 HydrophobicContact CB-CB 3.76Å; K1096-A1100 PolarHBondContact O-N 2.89Å; L1097-A1100 WeakPolarHBondContact O-CB 3.29Å; L1097-A1100 PolarHBondContact O-N 3.19Å; A1100-M1103 PolarHBondContact O-N 3.05Å; A1100-L1104 WeakPolarHBondContact O-CG 3.42Å; A1100-L1104 PolarHBondContact O-N 3.39Å |
| 1101 | R | 68.8 | Low | 71.9 | Confident | 118 Ų | 118 | 58.9 Ų | 58.9 | 45% | 0.445 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.5 | -51 | 176.5 | -177.4 | 179.7 | 171.5 | -174.8 | -3.4 | 112.1 | L1097 E1098 K1099 M1103 L1104 E1105 V1146 | L1097-R1101 WeakPolarHBondContact O-CB 3.34Å; L1097-R1101 PolarHBondContact O-N 3.49Å; E1098-R1101 PolarHBondContact O-N 2.93Å; K1099-R1101 VanDerWaalsContact C-N 3.31Å; K1099-R1101 PolarHBondContact O-N 3.04Å; R1101-M1103 VanDerWaalsContact C-N 3.26Å; R1101-M1103 PolarHBondContact O-N 3.28Å; R1101-L1104 PolarHBondContact O-N 3.27Å; R1101-E1105 HydrophobicContact CG-CG 4.36Å; R1101-E1105 IonicContact CZ-OE1 3.38Å; R1101-E1105 IonicContact NE-OE1 2.75Å; R1101-E1105 PolarHBondContact NE-OE1 3.19Å; R1101-E1105 IonicContact NH2-OE1 3.11Å; R1101-E1105 PolarHBondContact NH2-OE1 3.11Å; R1101-E1105 VanDerWaalsContact NH2-OE1 3.11Å; R1101-E1105 WeakPolarHBondContact O-CB 3.42Å; R1101-E1105 WeakPolarHBondContact O-CG 3.2Å; R1101-E1105 PolarHBondContact O-N 2.92Å; R1101-V1146 HydrophobicContact CB-CG1 3.99Å; R1101-V1146 HydrophobicContact CG-CG1 4.46Å |
| 1102 | M | 78 | Confident | 70.5 | Confident | 115 Ų | 115 | 60.8 Ų | 60.8 | 57% | 0.567 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -58 | -39.7 | 178.4 | -72.5 | -169.3 | -66.3 | 0 | 0 | 112.3 | E1098 K1099 S1106 | E1098-M1102 PolarHBondContact O-N 3.18Å; E1098-M1102 VanDerWaalsContact O-N 3.09Å; K1099-M1102 HydrophobicContact CG-CE 4.26Å; K1099-M1102 PolarHBondContact O-N 2.87Å; M1102-S1106 VanDerWaalsContact O-CB 3.27Å; M1102-S1106 WeakPolarHBondContact O-CB 3.36Å; M1102-S1106 PolarHBondContact O-N 3.24Å |
| 1103 | M | 80.5 | Confident | 69.7 | Low | 32 Ų | 32 | 63 Ų | 63 | 16% | 0.158 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -71.1 | -39.6 | 179.3 | -66.5 | -53 | -69.5 | 0 | 0 | 112.6 | L1068 R1084 L1087 L1091 K1099 A1100 R1101 S1106 A1107 | L1068-M1103 HydrophobicContact CD2-CE 3.44Å; L1068-M1103 VanDerWaalsContact CD2-CE 3.44Å; R1084-M1103 HydrophobicContact CB-CE 4.1Å; R1084-M1103 HydrophobicContact CG-CE 3.61Å; L1087-M1103 HydrophobicContact CB-CE 4.27Å; L1087-M1103 HydrophobicContact CD2-CE 3.39Å; L1087-M1103 HydrophobicContact CD2-CG 3.99Å; L1087-M1103 HydrophobicContact CD2-SD 4.07Å; L1087-M1103 HydrophobicContact CG-CE 4.42Å; L1091-M1103 HydrophobicContact CD1-CB 4.31Å; L1091-M1103 HydrophobicContact CD1-CG 3.58Å; K1099-M1103 VanDerWaalsContact O-CG 3.31Å; K1099-M1103 WeakPolarHBondContact O-CG 3.2Å; K1099-M1103 PolarHBondContact O-N 3.25Å; A1100-M1103 PolarHBondContact O-N 3.05Å; R1101-M1103 VanDerWaalsContact C-N 3.26Å; R1101-M1103 PolarHBondContact O-N 3.28Å; M1103-S1106 PolarHBondContact O-N 3.36Å; M1103-A1107 WeakPolarHBondContact O-CB 3.43Å; M1103-A1107 PolarHBondContact O-N 3.09Å |
| 1104 | L | 68.8 | Low | 68.7 | Low | 4 Ų | 4 | 66.5 Ų | 66.5 | 2% | 0.021 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.9 | -40.1 | 175.9 | -69.4 | 171.2 | 0 | 0 | 0 | 112.1 | A1100 R1101 S1106 A1107 W1108 L1142 V1146 | A1100-L1104 WeakPolarHBondContact O-CG 3.42Å; A1100-L1104 PolarHBondContact O-N 3.39Å; R1101-L1104 PolarHBondContact O-N 3.27Å; L1104-S1106 VanDerWaalsContact C-N 3.35Å; L1104-A1107 PolarHBondContact O-N 2.93Å; L1104-W1108 VanDerWaalsContact O-CB 3.28Å; L1104-W1108 WeakPolarHBondContact O-CB 3.17Å; L1104-W1108 PolarHBondContact O-N 3.41Å; L1104-L1142 HydrophobicContact CD1-CD2 3.94Å; L1104-L1142 HydrophobicContact CD2-CD2 4.36Å; L1104-V1146 HydrophobicContact CD1-CG2 4.34Å |
| 1105 | E | 69.2 | Low | 67 | Low | 77 Ų | 77 | 66.5 Ų | 66.5 | 36% | 0.36 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 173.3 | -74.7 | 174.9 | 176.4 | 0 | 0 | 111 | R1101 W1108 S1109 | R1101-E1105 HydrophobicContact CG-CG 4.36Å; R1101-E1105 IonicContact CZ-OE1 3.38Å; R1101-E1105 IonicContact NE-OE1 2.75Å; R1101-E1105 PolarHBondContact NE-OE1 3.19Å; R1101-E1105 IonicContact NH2-OE1 3.11Å; R1101-E1105 PolarHBondContact NH2-OE1 3.11Å; R1101-E1105 VanDerWaalsContact NH2-OE1 3.11Å; R1101-E1105 WeakPolarHBondContact O-CB 3.42Å; R1101-E1105 WeakPolarHBondContact O-CG 3.2Å; R1101-E1105 PolarHBondContact O-N 2.92Å; E1105-W1108 WeakPolarHBondContact O-CB 3.28Å; E1105-W1108 PolarHBondContact O-N 2.86Å; E1105-S1109 PolarHBondContact O-N 2.8Å |
| 1106 | S | 77.8 | Confident | 65.3 | Low | 32 Ų | 32 | 61.5 Ų | 61.5 | 22% | 0.224 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.2 | -47.2 | 174.3 | -179.5 | 0 | 0 | 0 | 0 | 111.7 | R1084 M1102 M1103 L1104 W1108 S1109 L1110 | R1084-S1106 WeakPolarHBondContact CD-OG 3.46Å; R1084-S1106 PolarHBondContact NE-OG 3.39Å; M1102-S1106 VanDerWaalsContact O-CB 3.27Å; M1102-S1106 WeakPolarHBondContact O-CB 3.36Å; M1102-S1106 PolarHBondContact O-N 3.24Å; M1103-S1106 PolarHBondContact O-N 3.36Å; L1104-S1106 VanDerWaalsContact C-N 3.35Å; S1106-W1108 PolarHBondContact O-N 3.4Å; S1106-S1109 PolarHBondContact O-N 2.81Å; S1106-S1109 VanDerWaalsContact O-N 3.13Å; S1106-S1109 PolarHBondContact O-OG 2.92Å; S1106-L1110 WeakPolarHBondContact O-CD1 3.36Å; S1106-L1110 PolarHBondContact O-N 3.43Å; S1106-L1110 VanDerWaalsContact O-N 3.09Å |
| 1107 | A | 67.9 | Low | 63.3 | Low | 3 Ų | 3 | 60 Ų | 60 | 3% | 0.025 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -55.5 | -42.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | R1084 M1103 L1104 A1111 | R1084-A1107 HydrophobicContact CB-CB 3.73Å; M1103-A1107 WeakPolarHBondContact O-CB 3.43Å; M1103-A1107 PolarHBondContact O-N 3.09Å; L1104-A1107 PolarHBondContact O-N 2.93Å; A1107-A1111 WeakPolarHBondContact O-CB 3.34Å; A1107-A1111 PolarHBondContact O-N 3.15Å |
| 1108 | W | 64.5 | Low | 61.8 | Low | 94 Ų | 94 | 61.6 Ų | 61.6 | 36% | 0.356 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.1 | -43.4 | 176.5 | -179.7 | 82.5 | 0 | 0 | 0 | 112.7 | L1104 E1105 S1106 L1110 A1111 I1112 | L1104-W1108 VanDerWaalsContact O-CB 3.28Å; L1104-W1108 WeakPolarHBondContact O-CB 3.17Å; L1104-W1108 PolarHBondContact O-N 3.41Å; E1105-W1108 WeakPolarHBondContact O-CB 3.28Å; E1105-W1108 PolarHBondContact O-N 2.86Å; S1106-W1108 PolarHBondContact O-N 3.4Å; W1108-L1110 VanDerWaalsContact C-N 3.34Å; W1108-L1110 PolarHBondContact O-N 3.23Å; W1108-A1111 CarbonylContact O-C 3.46Å; W1108-A1111 PolarHBondContact O-N 3.46Å; W1108-I1112 HydrophobicContact CD2-CD1 3.76Å; W1108-I1112 HydrophobicContact CD2-CG1 4.3Å; W1108-I1112 HydrophobicContact CE3-CD1 4.3Å; W1108-I1112 HydrophobicContact CG-CD1 4.4Å; W1108-I1112 HydrophobicContact CH2-CD1 3.73Å; W1108-I1112 HydrophobicContact CZ2-CD1 3.09Å; W1108-I1112 HydrophobicContact CZ2-CG1 4.38Å; W1108-I1112 HydrophobicContact CZ3-CD1 4.29Å; W1108-I1112 VanDerWaalsContact NE1-CD1 3.34Å; W1108-I1112 WeakPolarHBondContact O-CB 3.46Å; W1108-I1112 WeakPolarHBondContact O-CG1 3.4Å; W1108-I1112 PolarHBondContact O-N 3.45Å |
| 1109 | S | 67.6 | Low | 59.9 | Low | 57 Ų | 57 | 56.6 Ų | 56.6 | 40% | 0.399 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.5 | -41.6 | 178.9 | 71.3 | 0 | 0 | 0 | 0 | 112.3 | E1105 S1106 S1113 | E1105-S1109 PolarHBondContact O-N 2.8Å; S1106-S1109 PolarHBondContact O-N 2.81Å; S1106-S1109 VanDerWaalsContact O-N 3.13Å; S1106-S1109 PolarHBondContact O-OG 2.92Å; S1109-S1113 WeakPolarHBondContact O-CB 3.28Å; S1109-S1113 PolarHBondContact O-N 3.2Å; S1109-S1113 PolarHBondContact O-OG 3.37Å |
| 1110 | L | 65.3 | Low | 57.7 | Low | 26 Ų | 26 | 56.8 Ų | 56.8 | 14% | 0.136 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -73 | -38.9 | 174.3 | -79.2 | 94.7 | 0 | 0 | 0 | 112 | I1077 E1080 T1081 S1106 W1108 I1112 S1113 H1114 | I1077-L1110 HydrophobicContact CG2-CD2 4.25Å; E1080-L1110 HydrophobicContact CG-CD2 4.31Å; E1080-L1110 WeakPolarHBondContact OE1-CD2 3.32Å; T1081-L1110 HydrophobicContact CG2-CB 3.4Å; S1106-L1110 WeakPolarHBondContact O-CD1 3.36Å; S1106-L1110 PolarHBondContact O-N 3.43Å; S1106-L1110 VanDerWaalsContact O-N 3.09Å; W1108-L1110 VanDerWaalsContact C-N 3.34Å; W1108-L1110 PolarHBondContact O-N 3.23Å; L1110-I1112 VanDerWaalsContact C-N 3.26Å; L1110-I1112 PolarHBondContact O-N 3.48Å; L1110-S1113 WeakPolarHBondContact CA-OG 3.4Å; L1110-S1113 PolarHBondContact O-N 3.04Å; L1110-S1113 PolarHBondContact O-OG 3.06Å; L1110-H1114 WeakPolarHBondContact O-CB 3.49Å; L1110-H1114 PolarHBondContact O-N 3.42Å |
| 1111 | A | 55.8 | Low | 55.8 | Low | 25 Ų | 25 | 59.4 Ų | 59.4 | 21% | 0.207 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.5 | -37.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | T1081 A1107 W1108 C1115 | T1081-A1111 HydrophobicContact CG2-CB 4.3Å; A1107-A1111 WeakPolarHBondContact O-CB 3.34Å; A1107-A1111 PolarHBondContact O-N 3.15Å; W1108-A1111 CarbonylContact O-C 3.46Å; W1108-A1111 PolarHBondContact O-N 3.46Å; A1111-C1115 WeakPolarHBondContact O-CA 3.23Å; A1111-C1115 WeakPolarHBondContact O-CB 3.5Å; A1111-C1115 PolarHBondContact O-N 3.02Å; A1111-C1115 PolarHBondContact O-SG 2.82Å |
| 1112 | I | 52.7 | Low | 54 | Low | 51 Ų | 51 | 54.1 Ų | 54.1 | 26% | 0.262 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -78.2 | -39.9 | 176.7 | -71.8 | -168.5 | 0 | 0 | 0 | 112.4 | W1108 L1110 H1114 L1118 | W1108-I1112 HydrophobicContact CD2-CD1 3.76Å; W1108-I1112 HydrophobicContact CD2-CG1 4.3Å; W1108-I1112 HydrophobicContact CE3-CD1 4.3Å; W1108-I1112 HydrophobicContact CG-CD1 4.4Å; W1108-I1112 HydrophobicContact CH2-CD1 3.73Å; W1108-I1112 HydrophobicContact CZ2-CD1 3.09Å; W1108-I1112 HydrophobicContact CZ2-CG1 4.38Å; W1108-I1112 HydrophobicContact CZ3-CD1 4.29Å; W1108-I1112 VanDerWaalsContact NE1-CD1 3.34Å; W1108-I1112 WeakPolarHBondContact O-CB 3.46Å; W1108-I1112 WeakPolarHBondContact O-CG1 3.4Å; W1108-I1112 PolarHBondContact O-N 3.45Å; L1110-I1112 VanDerWaalsContact C-N 3.26Å; L1110-I1112 PolarHBondContact O-N 3.48Å; I1112-H1114 PolarHBondContact O-N 2.95Å; I1112-L1118 HydrophobicContact CD1-CD1 4.39Å; I1112-L1118 HydrophobicContact CG1-CD1 4.09Å; I1112-L1118 HydrophobicContact CG2-CD1 4.48Å |
| 1113 | S | 54.1 | Low | 51.8 | Low | 75 Ų | 75 | 55.2 Ų | 55.2 | 52% | 0.524 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.2 | -23.7 | 179.9 | 69.4 | 0 | 0 | 0 | 0 | 112.4 | S1109 L1110 | S1109-S1113 WeakPolarHBondContact O-CB 3.28Å; S1109-S1113 PolarHBondContact O-N 3.2Å; S1109-S1113 PolarHBondContact O-OG 3.37Å; L1110-S1113 WeakPolarHBondContact CA-OG 3.4Å; L1110-S1113 PolarHBondContact O-N 3.04Å; L1110-S1113 PolarHBondContact O-OG 3.06Å |
| 1114 | H | 48.7 | Very low | 49.6 | Very low | 107 Ų | 107 | 57.4 Ų | 57.4 | 50% | 0.495 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -126.9 | 1.8 | -177.8 | -63.3 | -64.4 | 0 | 0 | 0 | 115 | I1077 L1110 I1112 P1116 | I1077-H1114 WeakPolarHBondContact CD1-NE2 3.4Å; I1077-H1114 HydrophobicContact CG2-CB 3.76Å; I1077-H1114 WeakPolarHBondContact CG2-CD2 3.35Å; L1110-H1114 WeakPolarHBondContact O-CB 3.49Å; L1110-H1114 PolarHBondContact O-N 3.42Å; I1112-H1114 PolarHBondContact O-N 2.95Å; H1114-P1116 WeakPolarHBondContact O-CD 3.39Å; H1114-P1116 VanDerWaalsContact O-N 3.14Å |
| 1115 | C | 42 | Very low | 47.6 | Very low | 28 Ų | 28 | 60.8 Ų | 60.8 | 19% | 0.189 | 34% | 0.335 | C | S | . | . | trans | -67.4 | 113.6 | 172.5 | -103.8 | 0 | 0 | 0 | 0 | 107.4 | A1111 L1117 L1118 | A1111-C1115 WeakPolarHBondContact O-CA 3.23Å; A1111-C1115 WeakPolarHBondContact O-CB 3.5Å; A1111-C1115 PolarHBondContact O-N 3.02Å; A1111-C1115 PolarHBondContact O-SG 2.82Å; C1115-L1117 HydrophobicContact CB-CB 4.14Å; C1115-L1117 PolarHBondContact O-N 3.11Å; C1115-L1118 PolarHBondContact O-N 2.68Å | ||
| 1116 | P | 37.4 | Very low | 45.9 | Very low | 29 Ų | 29 | 62.8 Ų | 62.8 | 19% | 0.188 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -67.5 | -17.3 | 169.9 | 36.7 | -36.4 | 0 | 0 | 0 | 109 | H1114 L1118 S1119 G1122 | H1114-P1116 WeakPolarHBondContact O-CD 3.39Å; H1114-P1116 VanDerWaalsContact O-N 3.14Å; P1116-L1118 VanDerWaalsContact C-N 3.26Å; P1116-L1118 PolarHBondContact O-N 3.15Å; P1116-S1119 CarbonylContact O-C 3.58Å; P1116-S1119 PolarHBondContact O-N 2.98Å; P1116-S1119 VanDerWaalsContact O-N 3.1Å; P1116-S1119 PolarHBondContact O-OG 2.68Å; P1116-G1122 WeakPolarHBondContact O-CA 3.39Å; P1116-G1122 PolarHBondContact O-N 3.12Å; P1116-G1122 VanDerWaalsContact O-N 3.09Å |
| 1117 | L | 35.6 | Very low | 43.8 | Very low | 48 Ų | 48 | 66.7 Ų | 66.7 | 25% | 0.251 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -59.4 | -21.7 | 178.2 | -81.4 | 152.4 | 0 | 0 | 0 | 115.6 | C1115 F1123 | C1115-L1117 HydrophobicContact CB-CB 4.14Å; C1115-L1117 PolarHBondContact O-N 3.11Å; L1117-F1123 HydrophobicContact CD2-CD2 3.27Å; L1117-F1123 HydrophobicContact CD2-CE2 3.39Å; L1117-F1123 HydrophobicContact CD2-CG 4.06Å; L1117-F1123 HydrophobicContact CD2-CZ 4.26Å |
| 1118 | L | 35.6 | Very low | 42.1 | Very low | 89 Ų | 89 | 73.9 Ų | 73.9 | 47% | 0.466 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -105.8 | -5 | 176.3 | -79.5 | 158.7 | 0 | 0 | 0 | 113.3 | I1112 C1115 P1116 I1210 | I1112-L1118 HydrophobicContact CD1-CD1 4.39Å; I1112-L1118 HydrophobicContact CG1-CD1 4.09Å; I1112-L1118 HydrophobicContact CG2-CD1 4.48Å; C1115-L1118 PolarHBondContact O-N 2.68Å; P1116-L1118 VanDerWaalsContact C-N 3.26Å; P1116-L1118 PolarHBondContact O-N 3.15Å; L1118-I1210 HydrophobicContact CD2-CD1 4.49Å |
| 1119 | S | 34.5 | Very low | 40.5 | Very low | 58 Ų | 58 | 72.1 Ų | 72.1 | 41% | 0.406 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -87.5 | 155.4 | 158.5 | 76.1 | 0 | 0 | 0 | 0 | 108.4 | P1116 D1121 | P1116-S1119 CarbonylContact O-C 3.58Å; P1116-S1119 PolarHBondContact O-N 2.98Å; P1116-S1119 VanDerWaalsContact O-N 3.1Å; P1116-S1119 PolarHBondContact O-OG 2.68Å; S1119-D1121 PolarHBondContact O-N 2.98Å; S1119-D1121 PolarHBondContact OG-N 2.88Å |
| 1120 | S | 32.6 | Very low | 39.3 | Very low | 124 Ų | 124 | 74.9 Ų | 74.9 | 87% | 0.867 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -6.2 | 174.6 | 52.2 | 0 | 0 | 0 | 0 | 114.7 | ||
| 1121 | D | 33.9 | Very low | 38.2 | Very low | 55 Ų | 55 | 75.5 Ų | 75.5 | 29% | 0.294 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | -4.8 | -159.2 | -76.1 | 13 | 0 | 0 | 0 | 115.2 | K860 S1119 | K860-D1121 WeakPolarHBondContact CD-OD2 3.36Å; K860-D1121 IonicContact NZ-OD2 3.26Å; K860-D1121 PolarHBondContact NZ-OD2 3Å; S1119-D1121 PolarHBondContact O-N 2.98Å; S1119-D1121 PolarHBondContact OG-N 2.88Å |
| 1122 | G | 32 | Very low | 37.8 | Very low | 8 Ų | 8 | 76 Ų | 76 | 8% | 0.082 | 40% | 0.4 | C | S | . | . | trans | -113.7 | 7.9 | -161 | 0 | 0 | 0 | 0 | 0 | 120.9 | P1116 L1124 | P1116-G1122 WeakPolarHBondContact O-CA 3.39Å; P1116-G1122 PolarHBondContact O-N 3.12Å; P1116-G1122 VanDerWaalsContact O-N 3.09Å; G1122-L1124 VanDerWaalsContact C-N 3.32Å | ||
| 1123 | F | 31 | Very low | 37.3 | Very low | 137 Ų | 137 | 77.8 Ų | 77.8 | 60% | 0.601 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -79.6 | -15.9 | 179.8 | -137.4 | -84.6 | 0 | 0 | 0 | 113.3 | L1117 L1133 | L1117-F1123 HydrophobicContact CD2-CD2 3.27Å; L1117-F1123 HydrophobicContact CD2-CE2 3.39Å; L1117-F1123 HydrophobicContact CD2-CG 4.06Å; L1117-F1123 HydrophobicContact CD2-CZ 4.26Å; F1123-L1133 HydrophobicContact CE2-CD1 4Å; F1123-L1133 HydrophobicContact CZ-CB 4.21Å; F1123-L1133 HydrophobicContact CZ-CD1 4.25Å; F1123-L1133 HydrophobicContact CZ-CD2 4.25Å; F1123-L1133 HydrophobicContact CZ-CG 4.46Å |
| 1124 | L | 33.9 | Very low | 37 | Very low | 78 Ų | 78 | 79 Ų | 79 | 41% | 0.408 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -131.9 | -1.3 | -169.6 | -67 | 174 | 0 | 0 | 0 | 115 | F901 G1122 | F901-L1124 HydrophobicContact CE1-CD1 4.49Å; F901-L1124 HydrophobicContact CZ-CD1 3.88Å; F901-L1124 HydrophobicContact CZ-CD2 3.68Å; F901-L1124 HydrophobicContact CZ-CG 4.43Å; G1122-L1124 VanDerWaalsContact C-N 3.32Å |
| 1125 | R | 27.5 | Very low | 37 | Very low | 76 Ų | 76 | 74.9 Ų | 74.9 | 29% | 0.287 | 39% | 0.388 | S | S | . | . | trans | -111 | 102.8 | 173.9 | -70.3 | 176.8 | 176.4 | -157.1 | -9.9 | 107.5 | W862 N897 | W862-R1125 VanDerWaalsContact CH2-NH2 3.26Å; N897-R1125 PolarHBondContact OD1-NE 2.93Å; N897-R1125 VanDerWaalsContact OD1-NE 3.12Å; N897-R1125 PolarHBondContact OD1-NH2 3.42Å | ||
| 1126 | H | 33.1 | Very low | 37.3 | Very low | 118 Ų | 118 | 75.1 Ų | 75.1 | 55% | 0.546 | 39% | 0.388 | S | S | . | . | 158.6 | 120.6 | 127.6 | -89.8 | -74.1 | 0 | 0 | 0 | 110.9 | R1128 C1129 | H1126-R1128 HydrophobicContact CB-CB 4.2Å; H1126-R1128 PolarHBondContact O-N 3.46Å; H1126-C1129 PolarHBondContact O-N 3.43Å | |||
| 1127 | D | 34.6 | Very low | 38 | Very low | 115 Ų | 115 | 77.6 Ų | 77.6 | 62% | 0.615 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 20.9 | 153.3 | -75.5 | -22.4 | 0 | 0 | 0 | 113.7 | ||
| 1128 | R | 31.9 | Very low | 38.8 | Very low | 154 Ų | 154 | 75.4 Ų | 75.4 | 58% | 0.581 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142.3 | -5.5 | -170.3 | -56.2 | -169.5 | 173.9 | -170.8 | -2.5 | 115.6 | Q1078 H1126 | Q1078-R1128 PolarHBondContact NE2-O 3.36Å; Q1078-R1128 VanDerWaalsContact NE2-O 3.1Å; Q1078-R1128 PolarHBondContact OE1-O 2.95Å; H1126-R1128 HydrophobicContact CB-CB 4.2Å; H1126-R1128 PolarHBondContact O-N 3.46Å |
| 1129 | C | 30.8 | Very low | 39.7 | Very low | 57 Ų | 57 | 72.1 Ų | 72.1 | 39% | 0.385 | 37% | 0.372 | S | S | . | . | trans | -110.6 | 96.3 | 172.6 | -81.9 | 0 | 0 | 0 | 0 | 109.4 | Q1078 H1126 I1131 | Q1078-C1129 PolarHBondContact NE2-SG 3.49Å; H1126-C1129 PolarHBondContact O-N 3.43Å; C1129-I1131 PolarHBondContact O-N 2.91Å | ||
| 1130 | K | 42.2 | Very low | 40.7 | Very low | 115 Ų | 115 | 72.4 Ų | 72.4 | 50% | 0.5 | 37% | 0.368 | S | S | . | . | trans | -72 | -3 | 177.5 | -70 | 177.1 | 176.5 | 171.4 | 0 | 113.5 | E1005 | E1005-K1130 IonicContact OE2-NZ 2.78Å; E1005-K1130 PolarHBondContact OE2-NZ 3.2Å | ||
| 1131 | I | 42.7 | Very low | 41.9 | Very low | 38 Ų | 38 | 69.4 Ų | 69.4 | 20% | 0.195 | 34% | 0.342 | C | S | . | . | trans | -92.7 | 107.8 | -171.4 | -50.2 | 175.9 | 0 | 0 | 0 | 110.5 | E1082 C1129 E1135 T1136 | E1082-I1131 HydrophobicContact CG-CD1 4.42Å; C1129-I1131 PolarHBondContact O-N 2.91Å; I1131-E1135 VanDerWaalsContact CA-OE2 3.3Å; I1131-E1135 WeakPolarHBondContact CA-OE2 3.44Å; I1131-E1135 HydrophobicContact CG2-CB 3.57Å; I1131-T1136 HydrophobicContact CG2-CG2 3.85Å | ||
| 1132 | S | 46.5 | Very low | 43.2 | Very low | 36 Ų | 36 | 66.8 Ų | 66.8 | 25% | 0.252 | 33% | 0.328 | S | S | . | . | trans | -65.3 | 160.1 | 177.3 | 79.8 | 0 | 0 | 0 | 0 | 111.6 | Q1134 E1135 T1136 | S1132-Q1134 PolarHBondContact O-N 3.02Å; S1132-Q1134 PolarHBondContact OG-N 3.17Å; S1132-E1135 PolarHBondContact O-N 2.97Å; S1132-E1135 WeakPolarHBondContact OG-CG 3.17Å; S1132-E1135 PolarHBondContact OG-N 3.33Å; S1132-T1136 PolarHBondContact O-N 3.47Å; S1132-T1136 PolarHBondContact O-OG1 2.89Å | ||
| 1133 | L | 43.2 | Very low | 44.3 | Very low | 89 Ų | 89 | 67.7 Ų | 67.7 | 47% | 0.466 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -54.2 | -35.5 | 170.3 | -170.9 | 76.5 | 0 | 0 | 0 | 110.8 | F1123 T1136 I1137 | F1123-L1133 HydrophobicContact CE2-CD1 4Å; F1123-L1133 HydrophobicContact CZ-CB 4.21Å; F1123-L1133 HydrophobicContact CZ-CD1 4.25Å; F1123-L1133 HydrophobicContact CZ-CD2 4.25Å; F1123-L1133 HydrophobicContact CZ-CG 4.46Å; L1133-T1136 WeakPolarHBondContact CA-OG1 3.47Å; L1133-T1136 PolarHBondContact O-N 2.98Å; L1133-T1136 PolarHBondContact O-OG1 3.26Å; L1133-T1136 VanDerWaalsContact O-OG1 3.07Å; L1133-I1137 HydrophobicContact CD2-CD1 4.13Å; L1133-I1137 HydrophobicContact CG-CD1 3.85Å; L1133-I1137 HydrophobicContact CG-CG1 4.45Å; L1133-I1137 VanDerWaalsContact O-CB 3.31Å; L1133-I1137 WeakPolarHBondContact O-CB 3.43Å; L1133-I1137 WeakPolarHBondContact O-CD1 3.49Å; L1133-I1137 WeakPolarHBondContact O-CG1 3.25Å; L1133-I1137 PolarHBondContact O-N 3.42Å |
| 1134 | Q | 47.1 | Very low | 45.5 | Very low | 99 Ų | 99 | 65.4 Ų | 65.4 | 46% | 0.463 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -70 | -36.6 | 177.5 | -64.1 | 176.6 | -13.7 | 0 | 0 | 112 | S1132 G1138 | S1132-Q1134 PolarHBondContact O-N 3.02Å; S1132-Q1134 PolarHBondContact OG-N 3.17Å; Q1134-G1138 WeakPolarHBondContact O-CA 3.35Å; Q1134-G1138 PolarHBondContact O-N 3.28Å |
| 1135 | E | 49 | Very low | 46.7 | Very low | 22 Ų | 22 | 62.8 Ų | 62.8 | 10% | 0.103 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69.6 | -42 | 173 | -72.5 | -175.2 | 170.9 | 0 | 0 | 111.2 | I1131 S1132 G1138 V1139 L1168 | I1131-E1135 VanDerWaalsContact CA-OE2 3.3Å; I1131-E1135 WeakPolarHBondContact CA-OE2 3.44Å; I1131-E1135 HydrophobicContact CG2-CB 3.57Å; S1132-E1135 PolarHBondContact O-N 2.97Å; S1132-E1135 WeakPolarHBondContact OG-CG 3.17Å; S1132-E1135 PolarHBondContact OG-N 3.33Å; E1135-G1138 PolarHBondContact O-N 2.95Å; E1135-V1139 VanDerWaalsContact O-CB 3.24Å; E1135-V1139 WeakPolarHBondContact O-CB 3.45Å; E1135-V1139 WeakPolarHBondContact O-CG2 3.5Å; E1135-V1139 PolarHBondContact O-N 3.49Å; E1135-L1168 HydrophobicContact CG-CD1 4.36Å |
| 1136 | T | 48.8 | Very low | 48.1 | Very low | 32 Ų | 32 | 60 Ų | 60 | 20% | 0.196 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 174.7 | 25.3 | 0 | 0 | 0 | 0 | 111.8 | I1131 S1132 L1133 V1139 L1140 | I1131-T1136 HydrophobicContact CG2-CG2 3.85Å; S1132-T1136 PolarHBondContact O-N 3.47Å; S1132-T1136 PolarHBondContact O-OG1 2.89Å; L1133-T1136 WeakPolarHBondContact CA-OG1 3.47Å; L1133-T1136 PolarHBondContact O-N 2.98Å; L1133-T1136 PolarHBondContact O-OG1 3.26Å; L1133-T1136 VanDerWaalsContact O-OG1 3.07Å; T1136-V1139 PolarHBondContact O-N 3.45Å; T1136-L1140 WeakPolarHBondContact O-CB 3.33Å; T1136-L1140 VanDerWaalsContact O-CG 3.26Å; T1136-L1140 WeakPolarHBondContact O-CG 3.49Å; T1136-L1140 PolarHBondContact O-N 3Å |
| 1137 | I | 51.5 | Low | 49.2 | Very low | 82 Ų | 82 | 57.1 Ų | 57.1 | 42% | 0.421 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.6 | -44.4 | 173.9 | -70.8 | 167.3 | 0 | 0 | 0 | 110.9 | L1133 V1139 L1140 L1141 | L1133-I1137 HydrophobicContact CD2-CD1 4.13Å; L1133-I1137 HydrophobicContact CG-CD1 3.85Å; L1133-I1137 HydrophobicContact CG-CG1 4.45Å; L1133-I1137 VanDerWaalsContact O-CB 3.31Å; L1133-I1137 WeakPolarHBondContact O-CB 3.43Å; L1133-I1137 WeakPolarHBondContact O-CD1 3.49Å; L1133-I1137 WeakPolarHBondContact O-CG1 3.25Å; L1133-I1137 PolarHBondContact O-N 3.42Å; I1137-V1139 VanDerWaalsContact C-N 3.29Å; I1137-V1139 PolarHBondContact O-N 3.28Å; I1137-L1140 WeakPolarHBondContact O-CB 3.45Å; I1137-L1140 PolarHBondContact O-N 3.36Å; I1137-L1141 HydrophobicContact CG2-CD1 4.09Å; I1137-L1141 WeakPolarHBondContact O-CB 3.35Å; I1137-L1141 PolarHBondContact O-N 3.04Å |
| 1138 | G | 53.4 | Low | 50.2 | Low | 2 Ų | 2 | 54.2 Ų | 54.2 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.4 | -34.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q1134 E1135 L1141 L1142 V1157 L1161 | Q1134-G1138 WeakPolarHBondContact O-CA 3.35Å; Q1134-G1138 PolarHBondContact O-N 3.28Å; E1135-G1138 PolarHBondContact O-N 2.95Å; G1138-L1141 WeakPolarHBondContact O-CB 3.47Å; G1138-L1141 PolarHBondContact O-N 3.45Å; G1138-L1142 WeakPolarHBondContact O-CB 3.34Å; G1138-L1142 PolarHBondContact O-N 3.04Å; G1138-V1157 VanDerWaalsContact O-CG1 3.26Å; G1138-V1157 WeakPolarHBondContact O-CG1 3.41Å; G1138-L1161 WeakPolarHBondContact O-CD1 3.27Å |
| 1139 | V | 54.5 | Low | 51.4 | Low | 19 Ų | 19 | 53 Ų | 53 | 12% | 0.115 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -72.1 | -38.2 | 175.2 | 169.7 | 0 | 0 | 0 | 0 | 111.1 | L1085 E1135 T1136 I1137 L1142 A1143 L1161 | L1085-V1139 HydrophobicContact CD1-CB 4.2Å; L1085-V1139 HydrophobicContact CD1-CG1 3.54Å; L1085-V1139 HydrophobicContact CD1-CG2 3.6Å; L1085-V1139 HydrophobicContact CD2-CG2 4.17Å; L1085-V1139 HydrophobicContact CG-CG2 4.26Å; E1135-V1139 VanDerWaalsContact O-CB 3.24Å; E1135-V1139 WeakPolarHBondContact O-CB 3.45Å; E1135-V1139 WeakPolarHBondContact O-CG2 3.5Å; E1135-V1139 PolarHBondContact O-N 3.49Å; T1136-V1139 PolarHBondContact O-N 3.45Å; I1137-V1139 VanDerWaalsContact C-N 3.29Å; I1137-V1139 PolarHBondContact O-N 3.28Å; V1139-L1142 PolarHBondContact O-N 2.97Å; V1139-A1143 WeakPolarHBondContact O-CB 3.21Å; V1139-A1143 PolarHBondContact O-N 3.26Å; V1139-L1161 HydrophobicContact CG2-CD1 4.01Å; V1139-L1161 HydrophobicContact CG2-CD2 4.38Å |
| 1140 | L | 54.6 | Low | 52.7 | Low | 64 Ų | 64 | 53.6 Ų | 53.6 | 34% | 0.335 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.8 | -45.9 | 169.6 | -77.1 | 166 | 0 | 0 | 0 | 111 | T1136 I1137 L1142 A1143 L1144 | T1136-L1140 WeakPolarHBondContact O-CB 3.33Å; T1136-L1140 VanDerWaalsContact O-CG 3.26Å; T1136-L1140 WeakPolarHBondContact O-CG 3.49Å; T1136-L1140 PolarHBondContact O-N 3Å; I1137-L1140 WeakPolarHBondContact O-CB 3.45Å; I1137-L1140 PolarHBondContact O-N 3.36Å; L1140-L1142 VanDerWaalsContact C-N 3.34Å; L1140-A1143 PolarHBondContact O-N 3.28Å; L1140-L1144 VanDerWaalsContact O-CB 3.28Å; L1140-L1144 WeakPolarHBondContact O-CB 3.35Å; L1140-L1144 WeakPolarHBondContact O-CD1 3.36Å; L1140-L1144 WeakPolarHBondContact O-CG 3.37Å; L1140-L1144 PolarHBondContact O-N 3.49Å |
| 1141 | L | 57.9 | Low | 53.2 | Low | 61 Ų | 61 | 50.7 Ų | 50.7 | 32% | 0.319 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.6 | -43.5 | 173.7 | -104.9 | 147.2 | 0 | 0 | 0 | 110.9 | I1137 G1138 L1144 L1145 V1157 | I1137-L1141 HydrophobicContact CG2-CD1 4.09Å; I1137-L1141 WeakPolarHBondContact O-CB 3.35Å; I1137-L1141 PolarHBondContact O-N 3.04Å; G1138-L1141 WeakPolarHBondContact O-CB 3.47Å; G1138-L1141 PolarHBondContact O-N 3.45Å; L1141-L1144 PolarHBondContact O-N 3.49Å; L1141-L1145 HydrophobicContact CD2-CD1 4.17Å; L1141-L1145 VanDerWaalsContact O-CB 3.32Å; L1141-L1145 WeakPolarHBondContact O-CB 3.49Å; L1141-L1145 WeakPolarHBondContact O-CD1 3.44Å; L1141-L1145 WeakPolarHBondContact O-CG 3.44Å; L1141-L1145 PolarHBondContact O-N 2.87Å; L1141-V1157 HydrophobicContact CB-CG1 3.94Å; L1141-V1157 HydrophobicContact CB-CG2 4.49Å; L1141-V1157 HydrophobicContact CD2-CG2 4.37Å |
| 1142 | L | 61.1 | Low | 53.9 | Low | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.9 | -47.4 | 177.9 | -162.4 | 85 | 0 | 0 | 0 | 111 | I1089 L1104 G1138 V1139 L1140 L1144 L1145 V1146 S1154 V1157 A1158 L1161 | I1089-L1142 HydrophobicContact CG1-CD2 4.36Å; L1104-L1142 HydrophobicContact CD1-CD2 3.94Å; L1104-L1142 HydrophobicContact CD2-CD2 4.36Å; G1138-L1142 WeakPolarHBondContact O-CB 3.34Å; G1138-L1142 PolarHBondContact O-N 3.04Å; V1139-L1142 PolarHBondContact O-N 2.97Å; L1140-L1142 VanDerWaalsContact C-N 3.34Å; L1142-L1144 VanDerWaalsContact C-N 3.34Å; L1142-L1144 PolarHBondContact O-N 3.24Å; L1142-L1145 PolarHBondContact O-N 3.23Å; L1142-V1146 HydrophobicContact CG-CG2 4.44Å; L1142-V1146 WeakPolarHBondContact O-CB 3.27Å; L1142-V1146 WeakPolarHBondContact O-CG2 3.17Å; L1142-V1146 PolarHBondContact O-N 3.25Å; L1142-S1154 WeakPolarHBondContact CD1-O 3.43Å; L1142-V1157 HydrophobicContact CB-CG1 4.04Å; L1142-V1157 HydrophobicContact CD1-CB 4.06Å; L1142-V1157 HydrophobicContact CD1-CG1 3.9Å; L1142-A1158 HydrophobicContact CD1-CB 3.66Å; L1142-A1158 VanDerWaalsContact CD1-N 3.32Å; L1142-L1161 HydrophobicContact CB-CD1 4.14Å; L1142-L1161 HydrophobicContact CD1-CD1 4.41Å; L1142-L1161 HydrophobicContact CD2-CD1 4.4Å |
| 1143 | A | 55 | Low | 54.5 | Low | 26 Ų | 26 | 54.7 Ų | 54.7 | 22% | 0.215 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.3 | -39.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | V1139 L1140 S1147 | V1139-A1143 WeakPolarHBondContact O-CB 3.21Å; V1139-A1143 PolarHBondContact O-N 3.26Å; L1140-A1143 PolarHBondContact O-N 3.28Å; A1143-S1147 VanDerWaalsContact O-CB 3.27Å; A1143-S1147 WeakPolarHBondContact O-CB 3.4Å; A1143-S1147 PolarHBondContact O-N 3.32Å; A1143-S1147 PolarHBondContact O-OG 3.2Å |
| 1144 | L | 56.2 | Low | 55.1 | Low | 89 Ų | 89 | 50.5 Ų | 50.5 | 47% | 0.466 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.7 | -41.1 | 174 | -76.9 | 165.8 | 0 | 0 | 0 | 112 | L1140 L1141 L1142 S1147 A1148 | L1140-L1144 VanDerWaalsContact O-CB 3.28Å; L1140-L1144 WeakPolarHBondContact O-CB 3.35Å; L1140-L1144 WeakPolarHBondContact O-CD1 3.36Å; L1140-L1144 WeakPolarHBondContact O-CG 3.37Å; L1140-L1144 PolarHBondContact O-N 3.49Å; L1141-L1144 PolarHBondContact O-N 3.49Å; L1142-L1144 VanDerWaalsContact C-N 3.34Å; L1142-L1144 PolarHBondContact O-N 3.24Å; L1144-S1147 VanDerWaalsContact CA-OG 3.31Å; L1144-S1147 WeakPolarHBondContact CA-OG 3.46Å; L1144-S1147 PolarHBondContact O-OG 2.91Å; L1144-A1148 WeakPolarHBondContact O-CB 3.45Å; L1144-A1148 PolarHBondContact O-N 3.47Å |
| 1145 | L | 59.8 | Low | 55.6 | Low | 24 Ų | 24 | 49.6 Ų | 49.6 | 13% | 0.126 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -73.4 | -37.3 | 179.4 | -68.1 | 169.3 | 0 | 0 | 0 | 112.1 | L1141 L1142 A1148 N1149 L1150 E1153 V1157 | L1141-L1145 HydrophobicContact CD2-CD1 4.17Å; L1141-L1145 VanDerWaalsContact O-CB 3.32Å; L1141-L1145 WeakPolarHBondContact O-CB 3.49Å; L1141-L1145 WeakPolarHBondContact O-CD1 3.44Å; L1141-L1145 WeakPolarHBondContact O-CG 3.44Å; L1141-L1145 PolarHBondContact O-N 2.87Å; L1142-L1145 PolarHBondContact O-N 3.23Å; L1145-A1148 CarbonylContact O-C 3.57Å; L1145-A1148 PolarHBondContact O-N 2.88Å; L1145-N1149 PolarHBondContact O-N 3.36Å; L1145-L1150 HydrophobicContact CD2-CB 4.22Å; L1145-L1150 HydrophobicContact CD2-CD1 3.73Å; L1145-L1150 PolarHBondContact O-N 3.43Å; L1145-E1153 HydrophobicContact CD1-CB 4Å; L1145-E1153 HydrophobicContact CD2-CB 3.7Å; L1145-E1153 HydrophobicContact CG-CB 4.33Å; L1145-V1157 HydrophobicContact CD1-CB 3.83Å; L1145-V1157 HydrophobicContact CD1-CG1 4.49Å; L1145-V1157 HydrophobicContact CD1-CG2 3.27Å |
| 1146 | V | 56.5 | Low | 56 | Low | 17 Ų | 17 | 55.9 Ų | 55.9 | 10% | 0.103 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.3 | -42.1 | 172.9 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | R1101 L1104 L1142 A1148 N1149 | R1101-V1146 HydrophobicContact CB-CG1 3.99Å; R1101-V1146 HydrophobicContact CG-CG1 4.46Å; L1104-V1146 HydrophobicContact CD1-CG2 4.34Å; L1142-V1146 HydrophobicContact CG-CG2 4.44Å; L1142-V1146 WeakPolarHBondContact O-CB 3.27Å; L1142-V1146 WeakPolarHBondContact O-CG2 3.17Å; L1142-V1146 PolarHBondContact O-N 3.25Å; V1146-A1148 VanDerWaalsContact C-N 3.32Å; V1146-A1148 PolarHBondContact O-N 3.38Å; V1146-N1149 PolarHBondContact O-N 2.98Å |
| 1147 | S | 55.6 | Low | 56.4 | Low | 57 Ų | 57 | 55 Ų | 55 | 40% | 0.399 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -69.2 | -28.4 | 175.1 | 58.1 | 0 | 0 | 0 | 0 | 113.2 | A1143 L1144 N1149 | A1143-S1147 VanDerWaalsContact O-CB 3.27Å; A1143-S1147 WeakPolarHBondContact O-CB 3.4Å; A1143-S1147 PolarHBondContact O-N 3.32Å; A1143-S1147 PolarHBondContact O-OG 3.2Å; L1144-S1147 VanDerWaalsContact CA-OG 3.31Å; L1144-S1147 WeakPolarHBondContact CA-OG 3.46Å; L1144-S1147 PolarHBondContact O-OG 2.91Å; S1147-N1149 VanDerWaalsContact C-N 3.27Å; S1147-N1149 PolarHBondContact O-N 3.49Å |
| 1148 | A | 55.4 | Low | 56.6 | Low | 55 Ų | 55 | 51.7 Ų | 51.7 | 46% | 0.455 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | 0.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | L1144 L1145 V1146 L1150 | L1144-A1148 WeakPolarHBondContact O-CB 3.45Å; L1144-A1148 PolarHBondContact O-N 3.47Å; L1145-A1148 CarbonylContact O-C 3.57Å; L1145-A1148 PolarHBondContact O-N 2.88Å; V1146-A1148 VanDerWaalsContact C-N 3.32Å; V1146-A1148 PolarHBondContact O-N 3.38Å; A1148-L1150 HydrophobicContact CB-CD1 3.79Å; A1148-L1150 HydrophobicContact CB-CG 3.97Å; A1148-L1150 PolarHBondContact O-N 3.28Å |
| 1149 | N | 56.7 | Low | 56.7 | Low | 128 Ų | 128 | 55.9 Ų | 55.9 | 68% | 0.684 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 32.5 | -176.9 | -154 | 22.9 | 0 | 0 | 0 | 113.7 | L1145 V1146 S1147 A1151 | L1145-N1149 PolarHBondContact O-N 3.36Å; V1146-N1149 PolarHBondContact O-N 2.98Å; S1147-N1149 VanDerWaalsContact C-N 3.27Å; S1147-N1149 PolarHBondContact O-N 3.49Å; N1149-A1151 PolarHBondContact O-N 3.43Å |
| 1150 | L | 58.4 | Low | 56.8 | Low | 70 Ų | 70 | 59 Ų | 59 | 37% | 0.366 | 32% | 0.324 | S | S | . | . | trans | -94.1 | 73.4 | -179.8 | -70.4 | 170.8 | 0 | 0 | 0 | 109.8 | L1145 A1148 T1152 E1153 S1154 | L1145-L1150 HydrophobicContact CD2-CB 4.22Å; L1145-L1150 HydrophobicContact CD2-CD1 3.73Å; L1145-L1150 PolarHBondContact O-N 3.43Å; A1148-L1150 HydrophobicContact CB-CD1 3.79Å; A1148-L1150 HydrophobicContact CB-CG 3.97Å; A1148-L1150 PolarHBondContact O-N 3.28Å; L1150-T1152 VanDerWaalsContact C-N 3.29Å; L1150-T1152 PolarHBondContact O-N 3.37Å; L1150-E1153 HydrophobicContact CB-CB 4.05Å; L1150-E1153 HydrophobicContact CB-CG 4.35Å; L1150-E1153 WeakPolarHBondContact CB-OE2 3.37Å; L1150-E1153 PolarHBondContact O-N 3.09Å; L1150-S1154 WeakPolarHBondContact O-CB 3.49Å; L1150-S1154 PolarHBondContact O-N 2.91Å; L1150-S1154 PolarHBondContact O-OG 2.92Å; L1150-S1154 VanDerWaalsContact O-OG 3.07Å | ||
| 1151 | A | 53.5 | Low | 56.7 | Low | 54 Ų | 54 | 56.6 Ų | 56.6 | 45% | 0.446 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -55.5 | -39.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | N1149 S1154 L1155 | N1149-A1151 PolarHBondContact O-N 3.43Å; A1151-S1154 VanDerWaalsContact C-OG 3.27Å; A1151-S1154 VanDerWaalsContact CA-OG 3.25Å; A1151-S1154 WeakPolarHBondContact CA-OG 3.41Å; A1151-S1154 PolarHBondContact O-OG 3.41Å; A1151-L1155 PolarHBondContact O-N 3.49Å |
| 1152 | T | 57.9 | Low | 56.5 | Low | 92 Ų | 92 | 57.8 Ų | 57.8 | 56% | 0.564 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -72.2 | -39.5 | -179.1 | 33.2 | 0 | 0 | 0 | 0 | 113.4 | L1150 L1155 R1156 | L1150-T1152 VanDerWaalsContact C-N 3.29Å; L1150-T1152 PolarHBondContact O-N 3.37Å; T1152-L1155 PolarHBondContact O-N 3.04Å; T1152-R1156 PolarHBondContact O-N 3.35Å; T1152-R1156 VanDerWaalsContact O-N 3.08Å |
| 1153 | E | 58.1 | Low | 56.1 | Low | 66 Ų | 66 | 63.5 Ų | 63.5 | 31% | 0.308 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -73.6 | -38.7 | 178.3 | -65.7 | 76.8 | 179.4 | 0 | 0 | 109.6 | L1145 L1150 L1155 R1156 V1157 | L1145-E1153 HydrophobicContact CD1-CB 4Å; L1145-E1153 HydrophobicContact CD2-CB 3.7Å; L1145-E1153 HydrophobicContact CG-CB 4.33Å; L1150-E1153 HydrophobicContact CB-CB 4.05Å; L1150-E1153 HydrophobicContact CB-CG 4.35Å; L1150-E1153 WeakPolarHBondContact CB-OE2 3.37Å; L1150-E1153 PolarHBondContact O-N 3.09Å; E1153-L1155 VanDerWaalsContact C-N 3.3Å; E1153-L1155 PolarHBondContact O-N 3.12Å; E1153-R1156 PolarHBondContact O-N 3.25Å; E1153-V1157 WeakPolarHBondContact O-CG2 3.19Å; E1153-V1157 PolarHBondContact O-N 2.98Å |
| 1154 | S | 56.4 | Low | 55.8 | Low | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.007 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.9 | -36.1 | 171.6 | 58.1 | 0 | 0 | 0 | 0 | 111.9 | W1092 L1142 L1150 A1151 V1157 A1158 | W1092-S1154 VanDerWaalsContact CZ2-OG 3.26Å; W1092-S1154 WeakPolarHBondContact CZ2-OG 3.35Å; W1092-S1154 PolarHBondContact NE1-OG 3.06Å; L1142-S1154 WeakPolarHBondContact CD1-O 3.43Å; L1150-S1154 WeakPolarHBondContact O-CB 3.49Å; L1150-S1154 PolarHBondContact O-N 2.91Å; L1150-S1154 PolarHBondContact O-OG 2.92Å; L1150-S1154 VanDerWaalsContact O-OG 3.07Å; A1151-S1154 VanDerWaalsContact C-OG 3.27Å; A1151-S1154 VanDerWaalsContact CA-OG 3.25Å; A1151-S1154 WeakPolarHBondContact CA-OG 3.41Å; A1151-S1154 PolarHBondContact O-OG 3.41Å; S1154-V1157 PolarHBondContact O-N 3.43Å; S1154-A1158 WeakPolarHBondContact O-CB 3.39Å; S1154-A1158 PolarHBondContact O-N 2.94Å |
| 1155 | L | 58.1 | Low | 55.5 | Low | 80 Ų | 80 | 63.1 Ų | 63.1 | 42% | 0.419 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64 | -44.9 | 172.7 | -173.1 | 97.1 | 0 | 0 | 0 | 111.2 | W1092 A1151 T1152 E1153 V1157 A1158 E1159 | W1092-L1155 HydrophobicContact CH2-CB 3.35Å; W1092-L1155 HydrophobicContact CH2-CD1 3.37Å; W1092-L1155 HydrophobicContact CH2-CG 3.79Å; W1092-L1155 VanDerWaalsContact CZ2-CA 3.48Å; W1092-L1155 HydrophobicContact CZ2-CB 3.79Å; W1092-L1155 HydrophobicContact CZ2-CD1 4.43Å; W1092-L1155 VanDerWaalsContact CZ2-N 3.25Å; W1092-L1155 HydrophobicContact CZ3-CB 4.44Å; W1092-L1155 HydrophobicContact CZ3-CD1 3.94Å; A1151-L1155 PolarHBondContact O-N 3.49Å; T1152-L1155 PolarHBondContact O-N 3.04Å; E1153-L1155 VanDerWaalsContact C-N 3.3Å; E1153-L1155 PolarHBondContact O-N 3.12Å; L1155-V1157 VanDerWaalsContact C-N 3.34Å; L1155-V1157 PolarHBondContact O-N 3.24Å; L1155-A1158 PolarHBondContact O-N 3.31Å; L1155-E1159 VanDerWaalsContact O-CB 3.29Å; L1155-E1159 WeakPolarHBondContact O-CB 3.18Å; L1155-E1159 WeakPolarHBondContact O-CG 3.13Å; L1155-E1159 PolarHBondContact O-N 3.22Å |
| 1156 | R | 57.4 | Low | 55 | Low | 154 Ų | 154 | 65.4 Ų | 65.4 | 58% | 0.581 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -64.4 | -39.7 | 177.6 | -74 | -177.4 | -174.3 | 168.8 | 4.6 | 112.2 | T1152 E1153 M1160 | T1152-R1156 PolarHBondContact O-N 3.35Å; T1152-R1156 VanDerWaalsContact O-N 3.08Å; E1153-R1156 PolarHBondContact O-N 3.25Å; R1156-M1160 WeakPolarHBondContact O-CA 3.48Å; R1156-M1160 WeakPolarHBondContact O-CB 3.46Å; R1156-M1160 PolarHBondContact O-N 3.5Å |
| 1157 | V | 57.3 | Low | 54.2 | Low | 14 Ų | 14 | 69.1 Ų | 69.1 | 9% | 0.085 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -73 | -35.8 | 176.5 | 172.8 | 0 | 0 | 0 | 0 | 111.6 | G1138 L1141 L1142 L1145 E1153 S1154 L1155 M1160 L1161 | G1138-V1157 VanDerWaalsContact O-CG1 3.26Å; G1138-V1157 WeakPolarHBondContact O-CG1 3.41Å; L1141-V1157 HydrophobicContact CB-CG1 3.94Å; L1141-V1157 HydrophobicContact CB-CG2 4.49Å; L1141-V1157 HydrophobicContact CD2-CG2 4.37Å; L1142-V1157 HydrophobicContact CB-CG1 4.04Å; L1142-V1157 HydrophobicContact CD1-CB 4.06Å; L1142-V1157 HydrophobicContact CD1-CG1 3.9Å; L1145-V1157 HydrophobicContact CD1-CB 3.83Å; L1145-V1157 HydrophobicContact CD1-CG1 4.49Å; L1145-V1157 HydrophobicContact CD1-CG2 3.27Å; E1153-V1157 WeakPolarHBondContact O-CG2 3.19Å; E1153-V1157 PolarHBondContact O-N 2.98Å; S1154-V1157 PolarHBondContact O-N 3.43Å; L1155-V1157 VanDerWaalsContact C-N 3.34Å; L1155-V1157 PolarHBondContact O-N 3.24Å; V1157-M1160 CarbonylContact O-C 3.51Å; V1157-M1160 PolarHBondContact O-N 3.02Å; V1157-L1161 HydrophobicContact CG1-CD1 4.33Å; V1157-L1161 HydrophobicContact CG1-CG 4.39Å; V1157-L1161 VanDerWaalsContact O-CB 3.24Å; V1157-L1161 WeakPolarHBondContact O-CB 3.49Å; V1157-L1161 VanDerWaalsContact O-CG 3.31Å; V1157-L1161 WeakPolarHBondContact O-CG 3.49Å; V1157-L1161 PolarHBondContact O-N 3.2Å |
| 1158 | A | 54.8 | Low | 53.6 | Low | 11 Ų | 11 | 68 Ų | 68 | 9% | 0.091 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.6 | -44.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | W1092 L1142 S1154 L1155 M1160 L1161 R1162 | W1092-A1158 HydrophobicContact CE3-CB 4.02Å; W1092-A1158 HydrophobicContact CH2-CB 4.33Å; W1092-A1158 HydrophobicContact CZ3-CB 3.74Å; L1142-A1158 HydrophobicContact CD1-CB 3.66Å; L1142-A1158 VanDerWaalsContact CD1-N 3.32Å; S1154-A1158 WeakPolarHBondContact O-CB 3.39Å; S1154-A1158 PolarHBondContact O-N 2.94Å; L1155-A1158 PolarHBondContact O-N 3.31Å; A1158-M1160 VanDerWaalsContact C-N 3.34Å; A1158-L1161 PolarHBondContact O-N 2.99Å; A1158-R1162 WeakPolarHBondContact O-CB 3.5Å; A1158-R1162 PolarHBondContact O-N 3.07Å |
| 1159 | E | 55.8 | Low | 52.9 | Low | 91 Ų | 91 | 65.6 Ų | 65.6 | 43% | 0.425 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.7 | -37.5 | 173.3 | -78.5 | -175.1 | 168.4 | 0 | 0 | 111.7 | L1155 R1162 K1163 | L1155-E1159 VanDerWaalsContact O-CB 3.29Å; L1155-E1159 WeakPolarHBondContact O-CB 3.18Å; L1155-E1159 WeakPolarHBondContact O-CG 3.13Å; L1155-E1159 PolarHBondContact O-N 3.22Å; E1159-R1162 PolarHBondContact O-N 3.22Å; E1159-K1163 VanDerWaalsContact O-CB 3.24Å; E1159-K1163 WeakPolarHBondContact O-CB 3.41Å; E1159-K1163 VanDerWaalsContact O-CG 3.24Å; E1159-K1163 WeakPolarHBondContact O-CG 3.49Å; E1159-K1163 PolarHBondContact O-N 2.93Å |
| 1160 | M | 56.1 | Low | 51.7 | Low | 84 Ų | 84 | 62.8 Ų | 62.8 | 41% | 0.414 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -69.1 | -38 | 175.9 | -171.6 | -175.1 | 78.3 | 0 | 0 | 110.7 | R1156 V1157 A1158 K1163 L1164 | R1156-M1160 WeakPolarHBondContact O-CA 3.48Å; R1156-M1160 WeakPolarHBondContact O-CB 3.46Å; R1156-M1160 PolarHBondContact O-N 3.5Å; V1157-M1160 CarbonylContact O-C 3.51Å; V1157-M1160 PolarHBondContact O-N 3.02Å; A1158-M1160 VanDerWaalsContact C-N 3.34Å; M1160-K1163 CarbonylContact O-C 3.45Å; M1160-K1163 PolarHBondContact O-N 3.04Å; M1160-L1164 HydrophobicContact CE-CD1 4.04Å; M1160-L1164 HydrophobicContact CG-CD1 3.9Å; M1160-L1164 HydrophobicContact CG-CG 4.45Å; M1160-L1164 WeakPolarHBondContact O-CA 3.35Å; M1160-L1164 WeakPolarHBondContact O-CB 3.47Å; M1160-L1164 WeakPolarHBondContact O-CD1 3.4Å; M1160-L1164 VanDerWaalsContact O-CG 3.22Å; M1160-L1164 WeakPolarHBondContact O-CG 3.08Å; M1160-L1164 PolarHBondContact O-N 3.47Å |
| 1161 | L | 53.4 | Low | 50.3 | Low | 13 Ų | 13 | 63.6 Ų | 63.6 | 7% | 0.068 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.1 | -41.3 | 172.1 | -85 | 174.9 | 0 | 0 | 0 | 111.2 | G1138 V1139 L1142 V1157 A1158 L1164 R1165 | G1138-L1161 WeakPolarHBondContact O-CD1 3.27Å; V1139-L1161 HydrophobicContact CG2-CD1 4.01Å; V1139-L1161 HydrophobicContact CG2-CD2 4.38Å; L1142-L1161 HydrophobicContact CB-CD1 4.14Å; L1142-L1161 HydrophobicContact CD1-CD1 4.41Å; L1142-L1161 HydrophobicContact CD2-CD1 4.4Å; V1157-L1161 HydrophobicContact CG1-CD1 4.33Å; V1157-L1161 HydrophobicContact CG1-CG 4.39Å; V1157-L1161 VanDerWaalsContact O-CB 3.24Å; V1157-L1161 WeakPolarHBondContact O-CB 3.49Å; V1157-L1161 VanDerWaalsContact O-CG 3.31Å; V1157-L1161 WeakPolarHBondContact O-CG 3.49Å; V1157-L1161 PolarHBondContact O-N 3.2Å; A1158-L1161 PolarHBondContact O-N 2.99Å; L1161-L1164 PolarHBondContact O-N 3.44Å; L1161-R1165 WeakPolarHBondContact O-CB 3.49Å; L1161-R1165 PolarHBondContact O-N 3.42Å |
| 1162 | R | 53.3 | Low | 49.5 | Very low | 86 Ų | 86 | 63.1 Ų | 63.1 | 33% | 0.325 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.2 | -46.1 | 174.5 | -175.2 | -177.5 | -179.4 | -164.7 | 0 | 110.7 | D1053 A1158 E1159 R1165 L1166 | D1053-R1162 IonicContact OD1-CZ 3.32Å; D1053-R1162 IonicContact OD1-NE 3.3Å; D1053-R1162 PolarHBondContact OD1-NE 3.37Å; D1053-R1162 IonicContact OD1-NH2 2.85Å; D1053-R1162 PolarHBondContact OD1-NH2 2.93Å; A1158-R1162 WeakPolarHBondContact O-CB 3.5Å; A1158-R1162 PolarHBondContact O-N 3.07Å; E1159-R1162 PolarHBondContact O-N 3.22Å; R1162-R1165 PolarHBondContact O-N 3.12Å; R1162-L1166 HydrophobicContact CG-CD1 4.08Å; R1162-L1166 WeakPolarHBondContact O-CB 3.37Å; R1162-L1166 VanDerWaalsContact O-CG 3.28Å; R1162-L1166 WeakPolarHBondContact O-CG 3.44Å; R1162-L1166 PolarHBondContact O-N 3.41Å |
| 1163 | K | 53.2 | Low | 48.3 | Very low | 121 Ų | 121 | 59.1 Ų | 59.1 | 53% | 0.526 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.1 | -41.1 | 175.2 | -76.5 | 177.8 | -176.4 | 176.6 | 0 | 111.4 | E1159 M1160 R1165 L1166 Q1167 | E1159-K1163 VanDerWaalsContact O-CB 3.24Å; E1159-K1163 WeakPolarHBondContact O-CB 3.41Å; E1159-K1163 VanDerWaalsContact O-CG 3.24Å; E1159-K1163 WeakPolarHBondContact O-CG 3.49Å; E1159-K1163 PolarHBondContact O-N 2.93Å; M1160-K1163 CarbonylContact O-C 3.45Å; M1160-K1163 PolarHBondContact O-N 3.04Å; K1163-R1165 VanDerWaalsContact C-N 3.33Å; K1163-L1166 CarbonylContact O-C 3.52Å; K1163-L1166 PolarHBondContact O-N 3.37Å; K1163-Q1167 WeakPolarHBondContact O-CA 3.33Å; K1163-Q1167 WeakPolarHBondContact O-CB 3.44Å; K1163-Q1167 WeakPolarHBondContact O-CG 3.45Å; K1163-Q1167 PolarHBondContact O-N 3.08Å |
| 1164 | L | 47.9 | Very low | 46.8 | Very low | 32 Ų | 32 | 57.3 Ų | 57.3 | 17% | 0.168 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.2 | -40.6 | 173.4 | -87.4 | 159.8 | 0 | 0 | 0 | 110 | M1160 L1161 Q1167 L1168 | M1160-L1164 HydrophobicContact CE-CD1 4.04Å; M1160-L1164 HydrophobicContact CG-CD1 3.9Å; M1160-L1164 HydrophobicContact CG-CG 4.45Å; M1160-L1164 WeakPolarHBondContact O-CA 3.35Å; M1160-L1164 WeakPolarHBondContact O-CB 3.47Å; M1160-L1164 WeakPolarHBondContact O-CD1 3.4Å; M1160-L1164 VanDerWaalsContact O-CG 3.22Å; M1160-L1164 WeakPolarHBondContact O-CG 3.08Å; M1160-L1164 PolarHBondContact O-N 3.47Å; L1161-L1164 PolarHBondContact O-N 3.44Å; L1164-Q1167 PolarHBondContact O-N 3.24Å; L1164-L1168 HydrophobicContact CB-CD1 4.25Å; L1164-L1168 HydrophobicContact CD2-CD1 4.3Å; L1164-L1168 WeakPolarHBondContact O-CA 3.44Å; L1164-L1168 WeakPolarHBondContact O-CB 3.2Å; L1164-L1168 VanDerWaalsContact O-CD1 3.31Å; L1164-L1168 WeakPolarHBondContact O-CD1 3.36Å; L1164-L1168 WeakPolarHBondContact O-CG 3.46Å; L1164-L1168 PolarHBondContact O-N 3.35Å |
| 1165 | R | 49.7 | Very low | 45.5 | Very low | 75 Ų | 75 | 63 Ų | 63 | 28% | 0.283 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.6 | -39.8 | 176.4 | -171.6 | 174.6 | -176.9 | 144.4 | 2.9 | 111.8 | W1086 L1161 R1162 K1163 A1169 | W1086-R1165 VanDerWaalsContact CE2-CZ 3.41Å; W1086-R1165 VanDerWaalsContact NE1-NH1 3.15Å; L1161-R1165 WeakPolarHBondContact O-CB 3.49Å; L1161-R1165 PolarHBondContact O-N 3.42Å; R1162-R1165 PolarHBondContact O-N 3.12Å; K1163-R1165 VanDerWaalsContact C-N 3.33Å; R1165-A1169 WeakPolarHBondContact O-CB 3.39Å; R1165-A1169 PolarHBondContact O-N 3.24Å |
| 1166 | L | 48.6 | Very low | 44 | Very low | 73 Ų | 73 | 63 Ų | 63 | 38% | 0.382 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -74 | -34.1 | 175.1 | -70.9 | 165.7 | 0 | 0 | 0 | 112.8 | R1162 K1163 A1169 S1170 | R1162-L1166 HydrophobicContact CG-CD1 4.08Å; R1162-L1166 WeakPolarHBondContact O-CB 3.37Å; R1162-L1166 VanDerWaalsContact O-CG 3.28Å; R1162-L1166 WeakPolarHBondContact O-CG 3.44Å; R1162-L1166 PolarHBondContact O-N 3.41Å; K1163-L1166 CarbonylContact O-C 3.52Å; K1163-L1166 PolarHBondContact O-N 3.37Å; L1166-A1169 CarbonylContact O-C 3.37Å; L1166-A1169 WeakPolarHBondContact O-CB 3.38Å; L1166-A1169 PolarHBondContact O-N 2.96Å; L1166-S1170 PolarHBondContact O-N 3.06Å; L1166-S1170 PolarHBondContact O-OG 3.44Å |
| 1167 | Q | 40.1 | Very low | 42.5 | Very low | 95 Ų | 95 | 58.4 Ų | 58.4 | 44% | 0.444 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -81.1 | -46.4 | 179.9 | -78.8 | -177.3 | -66.1 | 0 | 0 | 110.7 | K1163 L1164 A1169 S1170 E1171 | K1163-Q1167 WeakPolarHBondContact O-CA 3.33Å; K1163-Q1167 WeakPolarHBondContact O-CB 3.44Å; K1163-Q1167 WeakPolarHBondContact O-CG 3.45Å; K1163-Q1167 PolarHBondContact O-N 3.08Å; L1164-Q1167 PolarHBondContact O-N 3.24Å; Q1167-A1169 PolarHBondContact O-N 3.1Å; Q1167-S1170 WeakPolarHBondContact CA-OG 3.44Å; Q1167-S1170 CarbonylContact O-C 3.59Å; Q1167-S1170 PolarHBondContact O-N 3.47Å; Q1167-S1170 PolarHBondContact O-OG 2.91Å; Q1167-E1171 WeakPolarHBondContact O-CA 3.48Å; Q1167-E1171 WeakPolarHBondContact O-CB 3.47Å; Q1167-E1171 WeakPolarHBondContact O-CG 3.49Å; Q1167-E1171 PolarHBondContact O-N 2.77Å |
| 1168 | L | 42.9 | Very low | 41.1 | Very low | 34 Ų | 34 | 66.2 Ų | 66.2 | 18% | 0.178 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -57.9 | -25 | 164.2 | -70.6 | 160.1 | 0 | 0 | 0 | 109.9 | E1135 L1164 S1172 | E1135-L1168 HydrophobicContact CG-CD1 4.36Å; L1164-L1168 HydrophobicContact CB-CD1 4.25Å; L1164-L1168 HydrophobicContact CD2-CD1 4.3Å; L1164-L1168 WeakPolarHBondContact O-CA 3.44Å; L1164-L1168 WeakPolarHBondContact O-CB 3.2Å; L1164-L1168 VanDerWaalsContact O-CD1 3.31Å; L1164-L1168 WeakPolarHBondContact O-CD1 3.36Å; L1164-L1168 WeakPolarHBondContact O-CG 3.46Å; L1164-L1168 PolarHBondContact O-N 3.35Å; L1168-S1172 WeakPolarHBondContact O-CA 3.44Å; L1168-S1172 WeakPolarHBondContact O-CB 3.27Å; L1168-S1172 PolarHBondContact O-N 3.35Å; L1168-S1172 PolarHBondContact O-OG 3.47Å |
| 1169 | A | 41.1 | Very low | 39.7 | Very low | 4 Ų | 4 | 70.4 Ų | 70.4 | 3% | 0.033 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -75.3 | -40 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y1009 R1165 L1166 Q1167 S1172 L1173 | Y1009-A1169 HydrophobicContact CE1-CB 4.24Å; Y1009-A1169 HydrophobicContact CE2-CB 3.59Å; Y1009-A1169 WeakPolarHBondContact OH-CA 3.44Å; Y1009-A1169 WeakPolarHBondContact OH-CB 3.44Å; R1165-A1169 WeakPolarHBondContact O-CB 3.39Å; R1165-A1169 PolarHBondContact O-N 3.24Å; L1166-A1169 CarbonylContact O-C 3.37Å; L1166-A1169 WeakPolarHBondContact O-CB 3.38Å; L1166-A1169 PolarHBondContact O-N 2.96Å; Q1167-A1169 PolarHBondContact O-N 3.1Å; A1169-S1172 PolarHBondContact O-OG 2.94Å; A1169-L1173 WeakPolarHBondContact O-CD1 3.5Å |
| 1170 | S | 31.2 | Very low | 38.2 | Very low | 68 Ų | 68 | 70.4 Ų | 70.4 | 48% | 0.476 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -77.3 | -24.2 | 172.5 | 59.8 | 0 | 0 | 0 | 0 | 114.2 | L1166 Q1167 | L1166-S1170 PolarHBondContact O-N 3.06Å; L1166-S1170 PolarHBondContact O-OG 3.44Å; Q1167-S1170 WeakPolarHBondContact CA-OG 3.44Å; Q1167-S1170 CarbonylContact O-C 3.59Å; Q1167-S1170 PolarHBondContact O-N 3.47Å; Q1167-S1170 PolarHBondContact O-OG 2.91Å |
| 1171 | E | 30.5 | Very low | 36.7 | Very low | 87 Ų | 87 | 72.2 Ų | 72.2 | 41% | 0.407 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -94.8 | -30.1 | -177.7 | -68.4 | 172.1 | 179.7 | 0 | 0 | 110.7 | Q1167 L1173 G1174 F1175 | Q1167-E1171 WeakPolarHBondContact O-CA 3.48Å; Q1167-E1171 WeakPolarHBondContact O-CB 3.47Å; Q1167-E1171 WeakPolarHBondContact O-CG 3.49Å; Q1167-E1171 PolarHBondContact O-N 2.77Å; E1171-L1173 PolarHBondContact O-N 2.98Å; E1171-G1174 CarbonylContact O-C 3.47Å; E1171-G1174 VanDerWaalsContact O-C 3.28Å; E1171-G1174 PolarHBondContact O-N 3.49Å; E1171-F1175 WeakPolarHBondContact O-CD2 3.24Å; E1171-F1175 WeakPolarHBondContact O-CE2 3.48Å; E1171-F1175 PolarHBondContact O-N 3.46Å |
| 1172 | S | 35.7 | Very low | 35.3 | Very low | 44 Ų | 44 | 79.8 Ų | 79.8 | 31% | 0.308 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.2 | -22.5 | 166.6 | 59.4 | 0 | 0 | 0 | 0 | 112.7 | Y1009 L1168 A1169 | Y1009-S1172 PolarHBondContact OH-OG 3.45Å; Y1009-S1172 VanDerWaalsContact OH-OG 3.09Å; L1168-S1172 WeakPolarHBondContact O-CA 3.44Å; L1168-S1172 WeakPolarHBondContact O-CB 3.27Å; L1168-S1172 PolarHBondContact O-N 3.35Å; L1168-S1172 PolarHBondContact O-OG 3.47Å; A1169-S1172 PolarHBondContact O-OG 2.94Å |
| 1173 | L | 32.8 | Very low | 34 | Very low | 8 Ų | 8 | 83 Ų | 83 | 4% | 0.042 | 47% | 0.472 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 18.8 | 171.7 | -81.6 | 157.8 | 0 | 0 | 0 | 111.8 | S974 E975 L977 A980 Y1006 Y1009 A1169 E1171 | S974-L1173 WeakPolarHBondContact O-CD2 3.43Å; E975-L1173 CarbonylContact C-O 3.54Å; E975-L1173 VanDerWaalsContact C-O 3.29Å; E975-L1173 WeakPolarHBondContact CA-O 3.38Å; L977-L1173 HydrophobicContact CD2-CD1 3.5Å; L977-L1173 VanDerWaalsContact CD2-CD1 3.5Å; L977-L1173 HydrophobicContact CG-CD1 4.28Å; A980-L1173 HydrophobicContact CB-CD2 4.28Å; Y1006-L1173 VanDerWaalsContact OH-CD2 3.23Å; Y1006-L1173 WeakPolarHBondContact OH-CD2 3.4Å; Y1009-L1173 HydrophobicContact CD1-CD1 4.44Å; Y1009-L1173 HydrophobicContact CE1-CD1 3.8Å; A1169-L1173 WeakPolarHBondContact O-CD1 3.5Å; E1171-L1173 PolarHBondContact O-N 2.98Å |
| 1174 | G | 27.5 | Very low | 32.6 | Very low | 28 Ų | 28 | 82 Ų | 82 | 29% | 0.289 | 47% | 0.471 | S | S | . | . | trans | -173.9 | 59.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114 | E1171 S1176 | E1171-G1174 CarbonylContact O-C 3.47Å; E1171-G1174 VanDerWaalsContact O-C 3.28Å; E1171-G1174 PolarHBondContact O-N 3.49Å; G1174-S1176 PolarHBondContact O-N 3.34Å; G1174-S1176 VanDerWaalsContact O-N 3.12Å | ||
| 1175 | F | 28.9 | Very low | 31.5 | Very low | 120 Ų | 120 | 88.8 Ų | 88.8 | 53% | 0.526 | 50% | 0.502 | S | S | . | . | trans | -84.8 | 61.7 | 168.1 | -83 | -76.7 | 0 | 0 | 0 | 110.7 | E1171 | E1171-F1175 WeakPolarHBondContact O-CD2 3.24Å; E1171-F1175 WeakPolarHBondContact O-CE2 3.48Å; E1171-F1175 PolarHBondContact O-N 3.46Å | ||
| 1176 | S | 26.6 | Very low | 30.4 | Very low | 80 Ų | 80 | 90.6 Ų | 90.6 | 56% | 0.559 | 52% | 0.515 | S | S | * | . | trans | -106.2 | 113.4 | 166.1 | 55.5 | 0 | 0 | 0 | 0 | 110.6 | G1174 | G1174-S1176 PolarHBondContact O-N 3.34Å; G1174-S1176 VanDerWaalsContact O-N 3.12Å | ||
| 1177 | G | 25.5 | Very low | 29.4 | Very low | 59 Ų | 59 | 92.7 Ų | 92.7 | 61% | 0.608 | 53% | 0.527 | S | S | * | . | trans | 86.1 | 114.8 | 153.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1178 | H | 27.7 | Very low | 28.9 | Very low | 178 Ų | 178 | 92.9 Ų | 92.9 | 82% | 0.824 | 53% | 0.534 | S | S | * | . | trans | 90.6 | 97.3 | 138.5 | -60.2 | -61.5 | 0 | 0 | 0 | 119.6 | ||||
| 1179 | S | 24.5 | Very low | 28.5 | Very low | 99 Ų | 99 | 93.6 Ų | 93.6 | 69% | 0.692 | 55% | 0.55 | S | S | * | . | 50.4 | 107.3 | 119.6 | 63.1 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 1180 | S | 24.7 | Very low | 27.9 | Very low | 90 Ų | 90 | 97.9 Ų | 97.9 | 63% | 0.629 | 57% | 0.572 | S | S | * | * | trans | 143.5 | 70.6 | 136.8 | 59.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1181 | C | 24.9 | Very low | 28 | Very low | 123 Ų | 123 | 98.8 Ų | 98.8 | 83% | 0.831 | 58% | 0.575 | S | S | * | * | trans | -155.8 | 102.4 | 145.6 | -98.8 | 0 | 0 | 0 | 0 | 108.3 | I1183 | C1181-I1183 PolarHBondContact O-N 3.15Š| ||
| 1182 | N | 23.4 | Very low | 28.1 | Very low | 171 Ų | 171 | 98.7 Ų | 98.7 | 91% | 0.914 | 58% | 0.584 | S | S | * | * | trans | -57.8 | 98.1 | 175 | -69.9 | -27.8 | 0 | 0 | 0 | 110.3 | ||||
| 1183 | I | 25.7 | Very low | 28.1 | Very low | 154 Ų | 154 | 103.4 Ų | 103.4 | 79% | 0.79 | 60% | 0.601 | S | S | * | * | trans | -94.9 | 116.8 | 154.6 | -62.5 | 176.3 | 0 | 0 | 0 | 105.2 | C1181 E1185 | C1181-I1183 PolarHBondContact O-N 3.15Å; I1183-E1185 PolarHBondContact O-N 3.25Å | ||
| 1184 | I | 25.1 | Very low | 28.3 | Very low | 101 Ų | 101 | 104 Ų | 104 | 52% | 0.518 | 61% | 0.609 | S | S | . | * | trans | -49.9 | 108.3 | 173.3 | -60.9 | 166.2 | 0 | 0 | 0 | 107.4 | M1186 A1231 | I1184-M1186 HydrophobicContact CG2-CG 3.78Å; I1184-M1186 PolarHBondContact O-N 3.19Å; I1184-A1231 HydrophobicContact CD1-CB 4.28Å | ||
| 1185 | E | 25.3 | Very low | 28.7 | Very low | 174 Ų | 174 | 106 Ų | 106 | 81% | 0.813 | 62% | 0.618 | S | S | * | * | trans | -64.5 | 84.1 | 163.5 | -78.6 | -176.5 | 159 | 0 | 0 | 107.3 | I1183 N1187 | I1183-E1185 PolarHBondContact O-N 3.25Å; E1185-N1187 PolarHBondContact O-N 3.43Å | ||
| 1186 | M | 25.2 | Very low | 29.2 | Very low | 113 Ų | 113 | 103.6 Ų | 103.6 | 56% | 0.557 | 61% | 0.61 | S | S | * | * | trans | -69.2 | 109.8 | 162.8 | -74.1 | -168.7 | 70.5 | 0 | 0 | 107 | I1184 V1188 | I1184-M1186 HydrophobicContact CG2-CG 3.78Å; I1184-M1186 PolarHBondContact O-N 3.19Å; M1186-V1188 PolarHBondContact O-N 3.44Å | ||
| 1187 | N | 27.3 | Very low | 29.9 | Very low | 117 Ų | 117 | 102.2 Ų | 102.2 | 63% | 0.626 | 60% | 0.604 | S | S | * | * | trans | -34.1 | 110.2 | 170 | -109.2 | -31.5 | 0 | 0 | 0 | 111.5 | E1185 G1189 D1190 | E1185-N1187 PolarHBondContact O-N 3.43Å; N1187-G1189 PolarHBondContact O-N 3.43Å; N1187-D1190 PolarHBondContact O-N 2.9Å | ||
| 1188 | V | 30.8 | Very low | 30.5 | Very low | 99 Ų | 99 | 102.9 Ų | 102.9 | 60% | 0.6 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -63.4 | -3.3 | 176.8 | -178.8 | 0 | 0 | 0 | 0 | 111.6 | M1186 D1190 V1191 | M1186-V1188 PolarHBondContact O-N 3.44Å; V1188-D1190 VanDerWaalsContact C-N 3.32Å; V1188-D1190 PolarHBondContact O-N 3.08Å; V1188-V1191 HydrophobicContact CB-CG2 4.4Å; V1188-V1191 HydrophobicContact CG1-CG2 4.01Å; V1188-V1191 WeakPolarHBondContact O-CG2 3.49Å |
| 1189 | G | 33.3 | Very low | 31.1 | Very low | 49 Ų | 49 | 97.6 Ų | 97.6 | 51% | 0.505 | 58% | 0.575 | S | S | . | * | G | 310 helix | trans | -61.4 | -30.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | N1187 | N1187-G1189 PolarHBondContact O-N 3.43Š|
| 1190 | D | 29.2 | Very low | 31.8 | Very low | 94 Ų | 94 | 97.9 Ų | 97.9 | 50% | 0.503 | 57% | 0.565 | S | S | . | * | G | 310 helix | trans | -100.5 | 10.2 | -172.8 | -81.9 | -22.4 | 0 | 0 | 0 | 115.1 | N1187 V1188 S1192 Q1193 | N1187-D1190 PolarHBondContact O-N 2.9Å; V1188-D1190 VanDerWaalsContact C-N 3.32Å; V1188-D1190 PolarHBondContact O-N 3.08Å; D1190-S1192 PolarHBondContact O-N 2.95Å; D1190-Q1193 PolarHBondContact O-N 3.35Å |
| 1191 | V | 32.7 | Very low | 32.5 | Very low | 87 Ų | 87 | 97.5 Ų | 97.5 | 53% | 0.527 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64 | 0.5 | -175.5 | -178.1 | 0 | 0 | 0 | 0 | 114.2 | V1188 Q1193 | V1188-V1191 HydrophobicContact CB-CG2 4.4Å; V1188-V1191 HydrophobicContact CG1-CG2 4.01Å; V1188-V1191 WeakPolarHBondContact O-CG2 3.49Å; V1191-Q1193 PolarHBondContact O-N 3.07Å |
| 1192 | S | 32.6 | Very low | 33.6 | Very low | 85 Ų | 85 | 98.4 Ų | 98.4 | 59% | 0.594 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -7.6 | 163.2 | 55 | 0 | 0 | 0 | 0 | 113.8 | D1190 | D1190-S1192 PolarHBondContact O-N 2.95Š|
| 1193 | Q | 36.8 | Very low | 34.6 | Very low | 143 Ų | 143 | 94.4 Ų | 94.4 | 67% | 0.668 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -125.4 | 62.6 | -177.3 | -59.9 | -158.5 | 17.1 | 0 | 0 | 114.1 | D1190 V1191 | D1190-Q1193 PolarHBondContact O-N 3.35Å; V1191-Q1193 PolarHBondContact O-N 3.07Å |
| 1194 | G | 36.7 | Very low | 35.2 | Very low | 21 Ų | 21 | 88.9 Ų | 88.9 | 22% | 0.216 | 50% | 0.499 | C | S | . | . | trans | 74.7 | 104.1 | 159 | 0 | 0 | 0 | 0 | 0 | 116.3 | L1196 I1210 | G1194-L1196 PolarHBondContact O-N 3.29Å; G1194-I1210 VanDerWaalsContact CA-O 3.23Å; G1194-I1210 WeakPolarHBondContact CA-O 3.46Å | ||
| 1195 | C | 36.6 | Very low | 36.2 | Very low | 69 Ų | 69 | 84.8 Ų | 84.8 | 47% | 0.466 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 119.5 | 173.9 | -68.8 | 0 | 0 | 0 | 0 | 109.9 | T1209 I1210 | C1195-T1209 CarbonylContact O-C 3.49Å; C1195-T1209 VanDerWaalsContact O-CA 3.22Å; C1195-T1209 WeakPolarHBondContact O-CA 3.5Å; C1195-I1210 HydrophobicContact CB-CB 4.17Å; C1195-I1210 HydrophobicContact CB-CD1 4.42Å; C1195-I1210 HydrophobicContact CB-CG1 4.46Å; C1195-I1210 PolarHBondContact N-O 3.04Å; C1195-I1210 VanDerWaalsContact N-O 3.15Å; C1195-I1210 PolarHBondContact O-N 3.2Å |
| 1196 | L | 38.9 | Very low | 37.1 | Very low | 69 Ų | 69 | 77.8 Ų | 77.8 | 36% | 0.361 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 94.4 | 178.6 | -150 | 131 | 0 | 0 | 0 | 109.3 | G1194 L1207 W1208 T1209 L1234 | G1194-L1196 PolarHBondContact O-N 3.29Å; L1196-L1207 HydrophobicContact CD2-CB 4.18Å; L1196-L1207 HydrophobicContact CD2-CD1 4.2Å; L1196-L1207 HydrophobicContact CD2-CD2 3.75Å; L1196-L1207 HydrophobicContact CD2-CG 4.27Å; L1196-W1208 CarbonylContact C-O 3.52Å; L1196-W1208 WeakPolarHBondContact CA-O 3.38Å; L1196-T1209 HydrophobicContact CD1-CG2 3.54Å; L1196-T1209 HydrophobicContact CG-CG2 3.93Å; L1196-L1234 HydrophobicContact CD2-CD2 4.47Å |
| 1197 | A | 40.2 | Very low | 37.9 | Very low | 52 Ų | 52 | 73.4 Ų | 73.4 | 43% | 0.43 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 122 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | L1207 W1208 | A1197-L1207 CarbonylContact O-C 3.46Å; A1197-L1207 WeakPolarHBondContact O-CA 3.46Å; A1197-W1208 HydrophobicContact CB-CB 4.08Å; A1197-W1208 HydrophobicContact CB-CG 4.45Å; A1197-W1208 PolarHBondContact N-O 3.47Å; A1197-W1208 PolarHBondContact O-N 3.13Å |
| 1198 | C | 39.4 | Very low | 38.8 | Very low | 73 Ų | 73 | 72.6 Ų | 72.6 | 49% | 0.493 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 125.2 | 178.7 | 165.6 | 0 | 0 | 0 | 0 | 109.3 | L1205 I1206 L1207 | C1198-L1205 WeakPolarHBondContact SG-CD1 3.48Å; C1198-I1206 CarbonylContact C-O 3.56Å; C1198-I1206 WeakPolarHBondContact CA-O 3.31Å; C1198-L1207 HydrophobicContact CB-CD2 3.65Å |
| 1199 | M | 39.7 | Very low | 39.6 | Very low | 67 Ų | 67 | 69.2 Ų | 69.2 | 33% | 0.33 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 115.9 | 168.6 | -174.6 | 171.8 | 58.8 | 0 | 0 | 108.3 | I1201 I1206 | M1199-I1201 HydrophobicContact CE-CD1 3.91Å; M1199-I1201 HydrophobicContact CG-CD1 4.41Å; M1199-I1201 HydrophobicContact CG-CG1 4.12Å; M1199-I1201 HydrophobicContact SD-CD1 4.17Å; M1199-I1201 HydrophobicContact SD-CG1 4.48Å; M1199-I1206 HydrophobicContact CE-CD1 4.04Å; M1199-I1206 PolarHBondContact N-O 2.97Å; M1199-I1206 WeakPolarHBondContact O-CB 3.47Å; M1199-I1206 PolarHBondContact O-N 3.39Å |
| 1200 | Q | 39.6 | Very low | 40.2 | Very low | 104 Ų | 104 | 69.7 Ų | 69.7 | 49% | 0.486 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 120.4 | 172.2 | -174.4 | 178.4 | -13.2 | 0 | 0 | 109.1 | E1202 V1204 L1205 | Q1200-E1202 PolarHBondContact NE2-O 2.85Å; Q1200-V1204 WeakPolarHBondContact CA-O 3.35Å; Q1200-L1205 HydrophobicContact CB-CD1 4.36Å |
| 1201 | I | 40.1 | Very low | 40.6 | Very low | 83 Ų | 83 | 69.7 Ų | 69.7 | 43% | 0.426 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 110.4 | 168.8 | -57.3 | 177.6 | 0 | 0 | 0 | 106.4 | M1199 N1203 V1204 I1206 | M1199-I1201 HydrophobicContact CE-CD1 3.91Å; M1199-I1201 HydrophobicContact CG-CD1 4.41Å; M1199-I1201 HydrophobicContact CG-CG1 4.12Å; M1199-I1201 HydrophobicContact SD-CD1 4.17Å; M1199-I1201 HydrophobicContact SD-CG1 4.48Å; I1201-N1203 PolarHBondContact O-N 3.32Å; I1201-V1204 PolarHBondContact N-O 3.34Å; I1201-V1204 WeakPolarHBondContact O-CA 3.32Å; I1201-V1204 WeakPolarHBondContact O-CB 3.34Å; I1201-V1204 PolarHBondContact O-N 3.23Å; I1201-I1206 HydrophobicContact CD1-CD1 4.48Å |
| 1202 | E | 46.8 | Very low | 41 | Very low | 142 Ų | 142 | 74.1 Ų | 74.1 | 66% | 0.664 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | -118.6 | -175.3 | -55 | -176.5 | 161.4 | 0 | 0 | 113.7 | Q1200 V1204 | Q1200-E1202 PolarHBondContact NE2-O 2.85Å; E1202-V1204 VanDerWaalsContact C-N 3.33Å |
| 1203 | N | 45.1 | Very low | 41.4 | Very low | 86 Ų | 86 | 72.9 Ų | 72.9 | 46% | 0.46 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 7.5 | 175.3 | -68.7 | -34.7 | 0 | 0 | 0 | 112 | I1201 Q1221 M1222 | I1201-N1203 PolarHBondContact O-N 3.32Å; N1203-Q1221 CarbonylContact O-C 3.58Å; N1203-Q1221 WeakPolarHBondContact O-CA 3.47Å; N1203-M1222 WeakPolarHBondContact CB-O 3.4Å; N1203-M1222 PolarHBondContact O-N 3.07Å; N1203-M1222 PolarHBondContact OD1-O 3.27Å |
| 1204 | V | 38.5 | Very low | 41.3 | Very low | 39 Ų | 39 | 68.2 Ų | 68.2 | 24% | 0.236 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 113.1 | -177.9 | -173.8 | 0 | 0 | 0 | 0 | 109.3 | Q1200 I1201 E1202 I1206 F1220 | Q1200-V1204 WeakPolarHBondContact CA-O 3.35Å; I1201-V1204 PolarHBondContact N-O 3.34Å; I1201-V1204 WeakPolarHBondContact O-CA 3.32Å; I1201-V1204 WeakPolarHBondContact O-CB 3.34Å; I1201-V1204 PolarHBondContact O-N 3.23Å; E1202-V1204 VanDerWaalsContact C-N 3.33Å; V1204-I1206 HydrophobicContact CG1-CG1 3.95Å; V1204-F1220 CarbonylContact C-O 3.59Å; V1204-F1220 VanDerWaalsContact CA-O 3.31Å; V1204-F1220 WeakPolarHBondContact CA-O 3.48Å |
| 1205 | L | 44.9 | Very low | 41.5 | Very low | 14 Ų | 14 | 69.1 Ų | 69.1 | 7% | 0.073 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 114.5 | 169.8 | -171.4 | 82.4 | 0 | 0 | 0 | 108.1 | C1198 Q1200 L1207 S1219 F1220 M1222 | C1198-L1205 WeakPolarHBondContact SG-CD1 3.48Å; Q1200-L1205 HydrophobicContact CB-CD1 4.36Å; L1205-L1207 HydrophobicContact CD1-CD2 4.44Å; L1205-L1207 HydrophobicContact CD2-CD1 4.07Å; L1205-L1207 HydrophobicContact CD2-CD2 3.82Å; L1205-L1207 HydrophobicContact CD2-CG 3.94Å; L1205-L1207 HydrophobicContact CG-CD2 3.89Å; L1205-L1207 HydrophobicContact CG-CG 4.18Å; L1205-S1219 CarbonylContact O-C 3.55Å; L1205-S1219 VanDerWaalsContact O-CA 3.31Å; L1205-S1219 WeakPolarHBondContact O-CA 3.37Å; L1205-F1220 HydrophobicContact CB-CB 4.18Å; L1205-F1220 HydrophobicContact CD2-CD2 4.08Å; L1205-F1220 PolarHBondContact N-O 3.37Å; L1205-F1220 PolarHBondContact O-N 2.96Å; L1205-M1222 HydrophobicContact CB-CG 4.43Å; L1205-M1222 HydrophobicContact CD2-CE 4.44Å |
| 1206 | I | 44.6 | Very low | 41.7 | Very low | 28 Ų | 28 | 66.9 Ų | 66.9 | 14% | 0.144 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 110.2 | 174.7 | -51.8 | 178.3 | 0 | 0 | 0 | 107.6 | C1198 M1199 I1201 V1204 V1217 L1218 | C1198-I1206 CarbonylContact C-O 3.56Å; C1198-I1206 WeakPolarHBondContact CA-O 3.31Å; M1199-I1206 HydrophobicContact CE-CD1 4.04Å; M1199-I1206 PolarHBondContact N-O 2.97Å; M1199-I1206 WeakPolarHBondContact O-CB 3.47Å; M1199-I1206 PolarHBondContact O-N 3.39Å; I1201-I1206 HydrophobicContact CD1-CD1 4.48Å; V1204-I1206 HydrophobicContact CG1-CG1 3.95Å; I1206-V1217 HydrophobicContact CG2-CG1 3.61Å; I1206-L1218 CarbonylContact C-O 3.45Å; I1206-L1218 WeakPolarHBondContact CA-O 3.36Å |
| 1207 | L | 42.5 | Very low | 41.9 | Very low | 21 Ų | 21 | 67.1 Ų | 67.1 | 11% | 0.11 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 128.2 | 174.1 | -54.3 | 177.8 | 0 | 0 | 0 | 109.5 | L1196 A1197 C1198 L1205 V1217 L1218 F1220 | L1196-L1207 HydrophobicContact CD2-CB 4.18Å; L1196-L1207 HydrophobicContact CD2-CD1 4.2Å; L1196-L1207 HydrophobicContact CD2-CD2 3.75Å; L1196-L1207 HydrophobicContact CD2-CG 4.27Å; A1197-L1207 CarbonylContact O-C 3.46Å; A1197-L1207 WeakPolarHBondContact O-CA 3.46Å; C1198-L1207 HydrophobicContact CB-CD2 3.65Å; L1205-L1207 HydrophobicContact CD1-CD2 4.44Å; L1205-L1207 HydrophobicContact CD2-CD1 4.07Å; L1205-L1207 HydrophobicContact CD2-CD2 3.82Å; L1205-L1207 HydrophobicContact CD2-CG 3.94Å; L1205-L1207 HydrophobicContact CG-CD2 3.89Å; L1205-L1207 HydrophobicContact CG-CG 4.18Å; L1207-V1217 CarbonylContact O-C 3.46Å; L1207-V1217 VanDerWaalsContact O-CA 3.32Å; L1207-V1217 WeakPolarHBondContact O-CA 3.45Å; L1207-L1218 HydrophobicContact CB-CB 4.23Å; L1207-L1218 PolarHBondContact N-O 2.88Å; L1207-L1218 PolarHBondContact O-N 3.43Å; L1207-F1220 HydrophobicContact CD1-CD2 4.17Å; L1207-F1220 HydrophobicContact CD1-CE2 3.6Å; L1207-F1220 HydrophobicContact CG-CD2 4.44Å; L1207-F1220 HydrophobicContact CG-CE2 4.2Å |
| 1208 | W | 46.8 | Very low | 42.1 | Very low | 99 Ų | 99 | 66.6 Ų | 66.6 | 38% | 0.375 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 116.3 | 176.2 | -59.8 | 38 | 0 | 0 | 0 | 106.3 | L1196 A1197 V1215 S1216 | L1196-W1208 CarbonylContact C-O 3.52Å; L1196-W1208 WeakPolarHBondContact CA-O 3.38Å; A1197-W1208 HydrophobicContact CB-CB 4.08Å; A1197-W1208 HydrophobicContact CB-CG 4.45Å; A1197-W1208 PolarHBondContact N-O 3.47Å; A1197-W1208 PolarHBondContact O-N 3.13Å; W1208-V1215 HydrophobicContact CE3-CG1 4.37Å; W1208-S1216 CarbonylContact C-O 3.51Å; W1208-S1216 VanDerWaalsContact CA-O 3.27Å; W1208-S1216 WeakPolarHBondContact CA-O 3.28Å |
| 1209 | T | 46 | Very low | 42.2 | Very low | 28 Ų | 28 | 66.8 Ų | 66.8 | 17% | 0.172 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 118.2 | 170.5 | 100.7 | 0 | 0 | 0 | 0 | 109.7 | C1195 L1196 S1216 | C1195-T1209 CarbonylContact O-C 3.49Å; C1195-T1209 VanDerWaalsContact O-CA 3.22Å; C1195-T1209 WeakPolarHBondContact O-CA 3.5Å; L1196-T1209 HydrophobicContact CD1-CG2 3.54Å; L1196-T1209 HydrophobicContact CG-CG2 3.93Å; T1209-S1216 WeakPolarHBondContact CB-OG 3.41Å; T1209-S1216 PolarHBondContact N-O 3.41Å; T1209-S1216 PolarHBondContact O-N 2.9Å; T1209-S1216 PolarHBondContact O-OG 3.15Å; T1209-S1216 VanDerWaalsContact O-OG 3.06Å; T1209-S1216 PolarHBondContact OG1-OG 3.41Å |
| 1210 | I | 46.1 | Very low | 42.4 | Very low | 60 Ų | 60 | 66.8 Ų | 66.8 | 31% | 0.308 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 97.8 | 176.7 | -52.9 | 176.1 | 0 | 0 | 0 | 107.7 | L1118 G1194 C1195 S1214 | L1118-I1210 HydrophobicContact CD2-CD1 4.49Å; G1194-I1210 VanDerWaalsContact CA-O 3.23Å; G1194-I1210 WeakPolarHBondContact CA-O 3.46Å; C1195-I1210 HydrophobicContact CB-CB 4.17Å; C1195-I1210 HydrophobicContact CB-CD1 4.42Å; C1195-I1210 HydrophobicContact CB-CG1 4.46Å; C1195-I1210 PolarHBondContact N-O 3.04Å; C1195-I1210 VanDerWaalsContact N-O 3.15Å; C1195-I1210 PolarHBondContact O-N 3.2Å; I1210-S1214 WeakPolarHBondContact CA-O 3.47Å |
| 1211 | K | 38.2 | Very low | 42.6 | Very low | 93 Ų | 93 | 69.9 Ų | 69.9 | 40% | 0.404 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 121 | 178.6 | -139.7 | 176 | -172.6 | 176.3 | 0 | 109.1 | G1213 S1214 | K1211-G1213 VanDerWaalsContact C-N 3.32Å; K1211-G1213 PolarHBondContact O-N 2.92Å; K1211-S1214 PolarHBondContact N-O 3.48Å; K1211-S1214 PolarHBondContact O-N 3.4Å; K1211-S1214 PolarHBondContact O-OG 3.11Å |
| 1212 | H | 40.6 | Very low | 42.8 | Very low | 181 Ų | 181 | 68.9 Ų | 68.9 | 84% | 0.838 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.3 | 45.7 | 176.3 | -61.8 | -68 | 0 | 0 | 0 | 114.7 | S1214 | H1212-S1214 PolarHBondContact O-N 3.47Š|
| 1213 | G | 41.1 | Very low | 42.5 | Very low | 59 Ų | 59 | 69.9 Ų | 69.9 | 61% | 0.608 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.3 | 9.8 | 180 | 0 | 0 | 0 | 0 | 0 | 115.2 | K1211 | K1211-G1213 VanDerWaalsContact C-N 3.32Å; K1211-G1213 PolarHBondContact O-N 2.92Å |
| 1214 | S | 34.6 | Very low | 42.4 | Very low | 45 Ų | 45 | 73.3 Ų | 73.3 | 32% | 0.315 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 130.7 | 168.9 | 67.6 | 0 | 0 | 0 | 0 | 110.4 | I1210 K1211 H1212 | I1210-S1214 WeakPolarHBondContact CA-O 3.47Å; K1211-S1214 PolarHBondContact N-O 3.48Å; K1211-S1214 PolarHBondContact O-N 3.4Å; K1211-S1214 PolarHBondContact O-OG 3.11Å; H1212-S1214 PolarHBondContact O-N 3.47Å |
| 1215 | V | 40.5 | Very low | 42.6 | Very low | 39 Ų | 39 | 80.3 Ų | 80.3 | 24% | 0.236 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 122.6 | 173.2 | -176.9 | 0 | 0 | 0 | 0 | 107.4 | W1208 V1217 Y1263 | W1208-V1215 HydrophobicContact CE3-CG1 4.37Å; V1215-V1217 HydrophobicContact CG1-CG2 4.15Å; V1215-Y1263 HydrophobicContact CG2-CE2 3.92Å |
| 1216 | S | 42.2 | Very low | 42.6 | Very low | 23 Ų | 23 | 84.1 Ų | 84.1 | 16% | 0.161 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 125 | 171.4 | 47.2 | 0 | 0 | 0 | 0 | 109.1 | W1208 T1209 | W1208-S1216 CarbonylContact C-O 3.51Å; W1208-S1216 VanDerWaalsContact CA-O 3.27Å; W1208-S1216 WeakPolarHBondContact CA-O 3.28Å; T1209-S1216 WeakPolarHBondContact CB-OG 3.41Å; T1209-S1216 PolarHBondContact N-O 3.41Å; T1209-S1216 PolarHBondContact O-N 2.9Å; T1209-S1216 PolarHBondContact O-OG 3.15Å; T1209-S1216 VanDerWaalsContact O-OG 3.06Å; T1209-S1216 PolarHBondContact OG1-OG 3.41Å |
| 1217 | V | 43.4 | Very low | 42.4 | Very low | 73 Ų | 73 | 88.5 Ų | 88.5 | 44% | 0.442 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 120.4 | 179.8 | -176.4 | 0 | 0 | 0 | 0 | 108.1 | I1206 L1207 V1215 | I1206-V1217 HydrophobicContact CG2-CG1 3.61Å; L1207-V1217 CarbonylContact O-C 3.46Å; L1207-V1217 VanDerWaalsContact O-CA 3.32Å; L1207-V1217 WeakPolarHBondContact O-CA 3.45Å; V1215-V1217 HydrophobicContact CG1-CG2 4.15Å |
| 1218 | L | 43.6 | Very low | 42.4 | Very low | 42 Ų | 42 | 92.7 Ų | 92.7 | 22% | 0.22 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 122 | 171.9 | -62.1 | 166.1 | 0 | 0 | 0 | 108.4 | I1206 L1207 F1220 | I1206-L1218 CarbonylContact C-O 3.45Å; I1206-L1218 WeakPolarHBondContact CA-O 3.36Å; L1207-L1218 HydrophobicContact CB-CB 4.23Å; L1207-L1218 PolarHBondContact N-O 2.88Å; L1207-L1218 PolarHBondContact O-N 3.43Å; L1218-F1220 HydrophobicContact CB-CD2 4.35Å; L1218-F1220 HydrophobicContact CB-CE2 3.58Å; L1218-F1220 HydrophobicContact CB-CZ 4.11Å; L1218-F1220 HydrophobicContact CD1-CE2 4.22Å; L1218-F1220 HydrophobicContact CD1-CZ 4.25Å; L1218-F1220 HydrophobicContact CG-CE2 4.46Å |
| 1219 | S | 41.8 | Very low | 42.4 | Very low | 76 Ų | 76 | 91.2 Ų | 91.2 | 53% | 0.531 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 120.7 | 171.6 | 65.4 | 0 | 0 | 0 | 0 | 110.1 | L1205 | L1205-S1219 CarbonylContact O-C 3.55Å; L1205-S1219 VanDerWaalsContact O-CA 3.31Å; L1205-S1219 WeakPolarHBondContact O-CA 3.37Å |
| 1220 | F | 43.4 | Very low | 42.3 | Very low | 68 Ų | 68 | 91.6 Ų | 91.6 | 30% | 0.298 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 124.4 | 173.2 | -58.9 | -91.1 | 0 | 0 | 0 | 110.1 | V1204 L1205 L1207 L1218 M1222 | V1204-F1220 CarbonylContact C-O 3.59Å; V1204-F1220 VanDerWaalsContact CA-O 3.31Å; V1204-F1220 WeakPolarHBondContact CA-O 3.48Å; L1205-F1220 HydrophobicContact CB-CB 4.18Å; L1205-F1220 HydrophobicContact CD2-CD2 4.08Å; L1205-F1220 PolarHBondContact N-O 3.37Å; L1205-F1220 PolarHBondContact O-N 2.96Å; L1207-F1220 HydrophobicContact CD1-CD2 4.17Å; L1207-F1220 HydrophobicContact CD1-CE2 3.6Å; L1207-F1220 HydrophobicContact CG-CD2 4.44Å; L1207-F1220 HydrophobicContact CG-CE2 4.2Å; L1218-F1220 HydrophobicContact CB-CD2 4.35Å; L1218-F1220 HydrophobicContact CB-CE2 3.58Å; L1218-F1220 HydrophobicContact CB-CZ 4.11Å; L1218-F1220 HydrophobicContact CD1-CE2 4.22Å; L1218-F1220 HydrophobicContact CD1-CZ 4.25Å; L1218-F1220 HydrophobicContact CG-CE2 4.46Å; F1220-M1222 HydrophobicContact CB-CG 3.86Å; F1220-M1222 HydrophobicContact CB-SD 4.37Å; F1220-M1222 PolarHBondContact O-N 2.74Å |
| 1221 | Q | 43.8 | Very low | 42 | Very low | 169 Ų | 169 | 90.3 Ų | 90.3 | 79% | 0.79 | 48% | 0.479 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 101.4 | 168.4 | -160.2 | 178.1 | 15.4 | 0 | 0 | 108.8 | N1203 | N1203-Q1221 CarbonylContact O-C 3.58Å; N1203-Q1221 WeakPolarHBondContact O-CA 3.47Å |
| 1222 | M | 44.8 | Very low | 42.2 | Very low | 61 Ų | 61 | 90.8 Ų | 90.8 | 30% | 0.3 | 49% | 0.486 | S | S | . | . | trans | -104 | 120.9 | -172.6 | -63 | -99.7 | -86.4 | 0 | 0 | 109.9 | N1203 L1205 F1220 I1230 | N1203-M1222 WeakPolarHBondContact CB-O 3.4Å; N1203-M1222 PolarHBondContact O-N 3.07Å; N1203-M1222 PolarHBondContact OD1-O 3.27Å; L1205-M1222 HydrophobicContact CB-CG 4.43Å; L1205-M1222 HydrophobicContact CD2-CE 4.44Å; F1220-M1222 HydrophobicContact CB-CG 3.86Å; F1220-M1222 HydrophobicContact CB-SD 4.37Å; F1220-M1222 PolarHBondContact O-N 2.74Å; M1222-I1230 HydrophobicContact CE-CD1 3.49Å; M1222-I1230 VanDerWaalsContact CE-CD1 3.49Å; M1222-I1230 HydrophobicContact CE-CG1 4.17Å | ||
| 1223 | K | 40.2 | Very low | 42.1 | Very low | 164 Ų | 164 | 87.3 Ų | 87.3 | 71% | 0.713 | 47% | 0.473 | S | S | * | . | trans | -101.8 | 122.3 | 168.5 | -73.9 | -176.9 | 177.5 | 178.9 | 0 | 109 | ||||
| 1224 | N | 42.4 | Very low | 42.2 | Very low | 158 Ų | 158 | 88.2 Ų | 88.2 | 85% | 0.845 | 46% | 0.463 | S | S | * | . | S | Bend | trans | 59.1 | 69.5 | 167.3 | -62.3 | -12.6 | 0 | 0 | 0 | 117.2 | ||
| 1225 | Y | 43.9 | Very low | 42.3 | Very low | 185 Ų | 185 | 90.3 Ų | 90.3 | 73% | 0.725 | 47% | 0.471 | S | S | * | . | trans | -134.9 | 148.6 | 168 | -80.7 | -84.6 | 0 | 0 | 0 | 113.1 | ||||
| 1226 | D | 45 | Very low | 41.9 | Very low | 95 Ų | 95 | 92.2 Ų | 92.2 | 51% | 0.508 | 48% | 0.484 | S | S | . | . | trans | -79.1 | 130.5 | 179.8 | -171 | -3.1 | 0 | 0 | 0 | 111.1 | N1228 C1229 | D1226-N1228 PolarHBondContact O-N 3.24Å; D1226-N1228 PolarHBondContact OD1-N 3.32Å; D1226-C1229 WeakPolarHBondContact O-CB 3.44Å; D1226-C1229 PolarHBondContact O-N 3.08Å | ||
| 1227 | L | 39.7 | Very low | 41.6 | Very low | 120 Ų | 120 | 94.7 Ų | 94.7 | 63% | 0.628 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -56.5 | -32.1 | -179.2 | -100 | 137.8 | 0 | 0 | 0 | 112.2 | C1229 I1230 A1231 | L1227-C1229 VanDerWaalsContact C-N 3.31Å; L1227-C1229 PolarHBondContact O-N 3.49Å; L1227-I1230 PolarHBondContact O-N 2.92Å; L1227-A1231 PolarHBondContact O-N 3.09Å |
| 1228 | N | 43.3 | Very low | 41.2 | Very low | 109 Ų | 109 | 94.7 Ų | 94.7 | 58% | 0.583 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.8 | -31 | 176.6 | -75.8 | -30 | 0 | 0 | 0 | 113 | D1226 N1232 | D1226-N1228 PolarHBondContact O-N 3.24Å; D1226-N1228 PolarHBondContact OD1-N 3.32Å; N1228-N1232 PolarHBondContact O-N 3.02Å; N1228-N1232 VanDerWaalsContact O-N 3.09Å; N1228-N1232 PolarHBondContact O-ND2 2.91Å |
| 1229 | C | 45.4 | Very low | 40.4 | Very low | 67 Ų | 67 | 101.4 Ų | 101.4 | 45% | 0.453 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -71.1 | -33.6 | 176.1 | -71.3 | 0 | 0 | 0 | 0 | 111.8 | D1226 L1227 L1233 | D1226-C1229 WeakPolarHBondContact O-CB 3.44Å; D1226-C1229 PolarHBondContact O-N 3.08Å; L1227-C1229 VanDerWaalsContact C-N 3.31Å; L1227-C1229 PolarHBondContact O-N 3.49Å; C1229-L1233 WeakPolarHBondContact O-CD1 3.36Å; C1229-L1233 WeakPolarHBondContact O-CG 3.46Å; C1229-L1233 PolarHBondContact O-N 3.13Å |
| 1230 | I | 44.6 | Very low | 39.8 | Very low | 37 Ų | 37 | 101.7 Ų | 101.7 | 19% | 0.19 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -73.5 | -40 | 177 | -58.2 | 173.8 | 0 | 0 | 0 | 110.1 | M1222 L1227 N1232 L1233 L1234 | M1222-I1230 HydrophobicContact CE-CD1 3.49Å; M1222-I1230 VanDerWaalsContact CE-CD1 3.49Å; M1222-I1230 HydrophobicContact CE-CG1 4.17Å; L1227-I1230 PolarHBondContact O-N 2.92Å; I1230-N1232 PolarHBondContact O-N 3.44Å; I1230-L1233 PolarHBondContact O-N 3.3Å; I1230-L1234 HydrophobicContact CG2-CD1 3.9Å; I1230-L1234 WeakPolarHBondContact O-CD1 3.4Å; I1230-L1234 VanDerWaalsContact O-CG 3.28Å; I1230-L1234 WeakPolarHBondContact O-CG 3.5Å; I1230-L1234 PolarHBondContact O-N 2.83Å |
| 1231 | A | 39.4 | Very low | 39.2 | Very low | 32 Ų | 32 | 106.3 Ų | 106.3 | 26% | 0.264 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.3 | -40.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I1184 L1227 L1233 L1234 | I1184-A1231 HydrophobicContact CD1-CB 4.28Å; L1227-A1231 PolarHBondContact O-N 3.09Å; A1231-L1233 VanDerWaalsContact C-N 3.35Å; A1231-L1233 PolarHBondContact O-N 2.95Å; A1231-L1234 PolarHBondContact O-N 3.21Å |
| 1232 | N | 43 | Very low | 38.4 | Very low | 103 Ų | 103 | 103.3 Ų | 103.3 | 55% | 0.551 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -69 | -29.7 | 177.1 | -74.6 | -21.3 | 0 | 0 | 0 | 113.6 | N1228 I1230 L1234 | N1228-N1232 PolarHBondContact O-N 3.02Å; N1228-N1232 VanDerWaalsContact O-N 3.09Å; N1228-N1232 PolarHBondContact O-ND2 2.91Å; I1230-N1232 PolarHBondContact O-N 3.44Å; N1232-L1234 VanDerWaalsContact C-N 3.28Å |
| 1233 | L | 38.3 | Very low | 37.6 | Very low | 108 Ų | 108 | 108 Ų | 108 | 57% | 0.565 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -74.5 | -17.3 | 174.8 | -81.7 | 159.4 | 0 | 0 | 0 | 113.2 | C1229 I1230 A1231 L1240 | C1229-L1233 WeakPolarHBondContact O-CD1 3.36Å; C1229-L1233 WeakPolarHBondContact O-CG 3.46Å; C1229-L1233 PolarHBondContact O-N 3.13Å; I1230-L1233 PolarHBondContact O-N 3.3Å; A1231-L1233 VanDerWaalsContact C-N 3.35Å; A1231-L1233 PolarHBondContact O-N 2.95Å; L1233-L1240 HydrophobicContact CD2-CD1 3.66Å |
| 1234 | L | 42.1 | Very low | 37.2 | Very low | 78 Ų | 78 | 105.7 Ų | 105.7 | 41% | 0.408 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.7 | 1.9 | -176.5 | -68.2 | 168.4 | 0 | 0 | 0 | 113.7 | L1196 I1230 A1231 N1232 | L1196-L1234 HydrophobicContact CD2-CD2 4.47Å; I1230-L1234 HydrophobicContact CG2-CD1 3.9Å; I1230-L1234 WeakPolarHBondContact O-CD1 3.4Å; I1230-L1234 VanDerWaalsContact O-CG 3.28Å; I1230-L1234 WeakPolarHBondContact O-CG 3.5Å; I1230-L1234 PolarHBondContact O-N 2.83Å; A1231-L1234 PolarHBondContact O-N 3.21Å; N1232-L1234 VanDerWaalsContact C-N 3.28Å |
| 1235 | L | 36.7 | Very low | 36.4 | Very low | 90 Ų | 90 | 107.5 Ų | 107.5 | 47% | 0.471 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -68.1 | 133.9 | 179.6 | -81.3 | 163.5 | 0 | 0 | 0 | 112.5 | G1237 C1238 | L1235-G1237 PolarHBondContact O-N 2.74Å; L1235-C1238 PolarHBondContact O-N 3.3Å |
| 1236 | P | 33.2 | Very low | 35.7 | Very low | 78 Ų | 78 | 109.9 Ų | 109.9 | 51% | 0.506 | 59% | 0.59 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.1 | 108.4 | 176.6 | 7.9 | 1.9 | 0 | 0 | 0 | 109.4 | ||
| 1237 | G | 36.8 | Very low | 34.9 | Very low | 75 Ų | 75 | 113.8 Ų | 113.8 | 77% | 0.773 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 140.3 | -23.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1235 K1239 | L1235-G1237 PolarHBondContact O-N 2.74Å; G1237-K1239 PolarHBondContact O-N 3.02Å |
| 1238 | C | 33.3 | Very low | 34.4 | Very low | 74 Ų | 74 | 117.9 Ų | 117.9 | 50% | 0.5 | 62% | 0.619 | S | S | . | * | trans | -76.3 | 111 | 170.7 | -74.5 | 0 | 0 | 0 | 0 | 110 | L1235 L1240 | L1235-C1238 PolarHBondContact O-N 3.3Å; C1238-L1240 PolarHBondContact O-N 3.33Å | ||
| 1239 | K | 27.7 | Very low | 33.9 | Very low | 182 Ų | 182 | 118 Ų | 118 | 79% | 0.791 | 63% | 0.625 | S | S | * | * | trans | -67.7 | 62.9 | 175.8 | -73.3 | -178.2 | 176.6 | 175.6 | 0 | 112.5 | G1237 L1241 | G1237-K1239 PolarHBondContact O-N 3.02Å; K1239-L1241 VanDerWaalsContact C-N 3.3Å; K1239-L1241 PolarHBondContact O-N 3.01Å | ||
| 1240 | L | 28.9 | Very low | 33.1 | Very low | 83 Ų | 83 | 127.1 Ų | 127.1 | 44% | 0.435 | 65% | 0.65 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.1 | 70.3 | 169.1 | -98.3 | 145.1 | 0 | 0 | 0 | 109.3 | L1233 C1238 F1243 | L1233-L1240 HydrophobicContact CD2-CD1 3.66Å; C1238-L1240 PolarHBondContact O-N 3.33Å; L1240-F1243 HydrophobicContact CD2-CE2 3.62Å; L1240-F1243 HydrophobicContact CD2-CZ 3.67Å; L1240-F1243 HydrophobicContact CG-CE2 4.48Å; L1240-F1243 HydrophobicContact CG-CZ 4.37Å |
| 1241 | L | 31.4 | Very low | 32.5 | Very low | 164 Ų | 164 | 129.4 Ų | 129.4 | 86% | 0.859 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -176 | 14.9 | 156.2 | -99.5 | 164.1 | 0 | 0 | 0 | 114.1 | K1239 | K1239-L1241 VanDerWaalsContact C-N 3.3Å; K1239-L1241 PolarHBondContact O-N 3.01Å |
| 1242 | T | 27.3 | Very low | 32.2 | Very low | 107 Ų | 107 | 136.2 Ų | 136.2 | 66% | 0.656 | 70% | 0.695 | S | S | * | * | trans | -129 | 77.2 | 160.8 | 40.9 | 0 | 0 | 0 | 0 | 108.8 | P1244 | T1242-P1244 VanDerWaalsContact O-CD 3.27Å; T1242-P1244 WeakPolarHBondContact O-CD 3.45Å | ||
| 1243 | F | 27.9 | Very low | 31.6 | Very low | 160 Ų | 160 | 139.1 Ų | 139.1 | 70% | 0.702 | 71% | 0.71 | S | S | * | * | trans | -80.7 | 118.6 | 168 | -79.1 | -74.4 | 0 | 0 | 0 | 109.4 | L1240 | L1240-F1243 HydrophobicContact CD2-CE2 3.62Å; L1240-F1243 HydrophobicContact CD2-CZ 3.67Å; L1240-F1243 HydrophobicContact CG-CE2 4.48Å; L1240-F1243 HydrophobicContact CG-CZ 4.37Å | ||
| 1244 | P | 30.2 | Very low | 31.4 | Very low | 115 Ų | 115 | 140.1 Ų | 140.1 | 75% | 0.747 | 72% | 0.72 | S | S | * | * | trans | -75.6 | 133.8 | 160.2 | 27.8 | -22.4 | 0 | 0 | 0 | 109.7 | T1242 R1246 | T1242-P1244 VanDerWaalsContact O-CD 3.27Å; T1242-P1244 WeakPolarHBondContact O-CD 3.45Å; P1244-R1246 VanDerWaalsContact C-N 3.33Å; P1244-R1246 PolarHBondContact O-N 3.3Å | ||
| 1245 | E | 25.9 | Very low | 31 | Very low | 196 Ų | 196 | 141.2 Ų | 141.2 | 92% | 0.916 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | 24.3 | -164.6 | -78.2 | -174.2 | 141.5 | 0 | 0 | 120.3 | ||
| 1246 | R | 28.8 | Very low | 30.8 | Very low | 234 Ų | 234 | 140.5 Ų | 140.5 | 88% | 0.883 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.7 | -11 | -164 | -78.9 | -170.7 | 176.6 | -178.3 | -0 | 122.2 | P1244 | P1244-R1246 VanDerWaalsContact C-N 3.33Å; P1244-R1246 PolarHBondContact O-N 3.3Å |
| 1247 | E | 29.2 | Very low | 30.7 | Very low | 178 Ų | 178 | 145.7 Ų | 145.7 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -148.3 | 86.7 | -175.7 | -65.2 | -179.7 | 175.5 | 0 | 0 | 111.8 | ||
| 1248 | F | 29.3 | Very low | 30.5 | Very low | 206 Ų | 206 | 150 Ų | 150 | 90% | 0.904 | 75% | 0.75 | S | S | * | * | trans | -175.4 | 138.5 | 145.4 | -102.6 | -74.4 | 0 | 0 | 0 | 111.3 | ||||
| 1249 | P | 33.5 | Very low | 30.4 | Very low | 111 Ų | 111 | 150.3 Ų | 150.3 | 72% | 0.721 | 75% | 0.746 | S | S | * | * | trans | -82.3 | 133.8 | -168.3 | -2.9 | 21.8 | 0 | 0 | 0 | 113.9 | S1251 | P1249-S1251 PolarHBondContact O-N 2.82Å; P1249-S1251 VanDerWaalsContact O-N 3.16Å | ||
| 1250 | R | 28 | Very low | 30.7 | Very low | 258 Ų | 258 | 149.6 Ų | 149.6 | 97% | 0.974 | 75% | 0.746 | S | S | * | * | trans | -76.8 | 30.1 | -170.5 | -76.7 | -177.6 | 169.3 | 173.4 | -1.8 | 117.9 | ||||
| 1251 | S | 32.5 | Very low | 30.9 | Very low | 85 Ų | 85 | 148.2 Ų | 148.2 | 59% | 0.594 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -94.8 | -7.7 | -165.2 | 61.7 | 0 | 0 | 0 | 0 | 119.4 | P1249 | P1249-S1251 PolarHBondContact O-N 2.82Å; P1249-S1251 VanDerWaalsContact O-N 3.16Å |
| 1252 | H | 32.5 | Very low | 31.1 | Very low | 175 Ų | 175 | 145 Ų | 145 | 81% | 0.81 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -137.2 | 7.8 | -171.3 | -66.6 | -58.2 | 0 | 0 | 0 | 118.5 | ||
| 1253 | L | 31 | Very low | 31.5 | Very low | 164 Ų | 164 | 145.9 Ų | 145.9 | 86% | 0.859 | 72% | 0.72 | S | S | * | * | trans | -104.7 | 108.6 | 179.5 | -81.5 | 151.5 | 0 | 0 | 0 | 111.2 | ||||
| 1254 | V | 32.9 | Very low | 32.2 | Very low | 130 Ų | 130 | 146.7 Ų | 146.7 | 79% | 0.788 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -69 | 146 | 168.4 | 177.5 | 0 | 0 | 0 | 0 | 108.7 | A1256 | V1254-A1256 PolarHBondContact O-N 3.18Š|
| 1255 | P | 34.8 | Very low | 33 | Very low | 100 Ų | 100 | 145.4 Ų | 145.4 | 65% | 0.649 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 128.9 | -164.8 | -20.3 | 31.6 | 0 | 0 | 0 | 113.3 | Y1257 | P1255-Y1257 PolarHBondContact O-N 3.22Š|
| 1256 | A | 30.7 | Very low | 33.5 | Very low | 76 Ų | 76 | 138.8 Ų | 138.8 | 63% | 0.628 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 123.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | V1254 Q1258 | V1254-A1256 PolarHBondContact O-N 3.18Å; A1256-Q1258 PolarHBondContact O-N 2.87Å |
| 1257 | Y | 31.8 | Very low | 33.8 | Very low | 186 Ų | 186 | 133.4 Ų | 133.4 | 73% | 0.729 | 68% | 0.676 | S | S | * | * | trans | -83.5 | 107.5 | 171.3 | -73.7 | -85.2 | 0 | 0 | 0 | 109.2 | P1255 | P1255-Y1257 PolarHBondContact O-N 3.22Š| ||
| 1258 | Q | 32.6 | Very low | 34.4 | Very low | 165 Ų | 165 | 131.5 Ų | 131.5 | 77% | 0.771 | 67% | 0.67 | S | S | * | * | trans | -95.3 | 100 | 172.4 | -159.2 | 177.1 | 17.1 | 0 | 0 | 108.3 | A1256 | A1256-Q1258 PolarHBondContact O-N 2.87Š| ||
| 1259 | L | 32.2 | Very low | 34.8 | Very low | 82 Ų | 82 | 124.5 Ų | 124.5 | 43% | 0.429 | 64% | 0.642 | S | S | . | * | trans | -103 | 104.8 | 177.2 | -83.9 | 154 | 0 | 0 | 0 | 109 | L1261 | L1259-L1261 HydrophobicContact CB-CD1 3.88Å; L1259-L1261 HydrophobicContact CB-CG 4.09Å; L1259-L1261 HydrophobicContact CD2-CD1 4.13Å; L1259-L1261 HydrophobicContact CD2-CD2 4.23Å; L1259-L1261 HydrophobicContact CD2-CG 4.23Å; L1259-L1261 HydrophobicContact CG-CD1 4.43Å | ||
| 1260 | Q | 33.9 | Very low | 34.8 | Very low | 166 Ų | 166 | 121.7 Ų | 121.7 | 78% | 0.776 | 63% | 0.628 | S | S | * | * | trans | -81.8 | 111.6 | 162.2 | -79.3 | -174.5 | -22.8 | 0 | 0 | 107.7 | ||||
| 1261 | L | 32.6 | Very low | 35.3 | Very low | 54 Ų | 54 | 112.7 Ų | 112.7 | 28% | 0.283 | 61% | 0.605 | S | S | . | * | trans | -127.9 | 136.1 | -176 | -69.6 | 166.4 | 0 | 0 | 0 | 111 | L1259 I1269 | L1259-L1261 HydrophobicContact CB-CD1 3.88Å; L1259-L1261 HydrophobicContact CB-CG 4.09Å; L1259-L1261 HydrophobicContact CD2-CD1 4.13Å; L1259-L1261 HydrophobicContact CD2-CD2 4.23Å; L1259-L1261 HydrophobicContact CD2-CG 4.23Å; L1259-L1261 HydrophobicContact CG-CD1 4.43Å; L1261-I1269 HydrophobicContact CD1-CD1 3.78Å | ||
| 1262 | P | 35.8 | Very low | 35.5 | Very low | 97 Ų | 97 | 111.8 Ų | 111.8 | 63% | 0.63 | 60% | 0.602 | S | S | * | * | trans | -62.8 | 142.5 | 166.2 | 24.6 | -29.7 | 0 | 0 | 0 | 110.4 | H1264 N1265 | P1262-H1264 PolarHBondContact O-N 3.49Å; P1262-N1265 PolarHBondContact O-N 2.87Å | ||
| 1263 | Y | 35.2 | Very low | 35.7 | Very low | 126 Ų | 126 | 108 Ų | 108 | 49% | 0.494 | 59% | 0.588 | S | S | . | * | G | 310 helix | trans | -48.7 | -23.9 | -166.2 | -126.2 | -94.1 | 0 | 0 | 0 | 116.1 | V1215 | V1215-Y1263 HydrophobicContact CG2-CE2 3.92Š|
| 1264 | H | 43.5 | Very low | 35.9 | Very low | 176 Ų | 176 | 105 Ų | 105 | 82% | 0.815 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -80.6 | -13.5 | -174.5 | -118 | -25.6 | 0 | 0 | 0 | 115.7 | P1262 | P1262-H1264 PolarHBondContact O-N 3.49Š|
| 1265 | N | 46.3 | Very low | 36.1 | Very low | 89 Ų | 89 | 105 Ų | 105 | 48% | 0.476 | 57% | 0.572 | S | S | . | * | G | 310 helix | trans | -104.2 | -0 | -176.7 | -79.7 | -15.3 | 0 | 0 | 0 | 114.9 | P1262 E1267 | P1262-N1265 PolarHBondContact O-N 2.87Å; N1265-E1267 PolarHBondContact O-N 2.9Å |
| 1266 | A | 37.5 | Very low | 36.2 | Very low | 56 Ų | 56 | 105 Ų | 105 | 46% | 0.463 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -69 | -30.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | A1270 | A1266-A1270 WeakPolarHBondContact O-CB 3.49Å; A1266-A1270 PolarHBondContact O-N 3.47Å; A1266-A1270 VanDerWaalsContact O-N 3.08Å |
| 1267 | E | 33.7 | Very low | 36.6 | Very low | 121 Ų | 121 | 105 Ų | 105 | 57% | 0.565 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.5 | -42 | -178.2 | -77.4 | -178.8 | 140.1 | 0 | 0 | 114.1 | N1265 I1269 S1271 | N1265-E1267 PolarHBondContact O-N 2.9Å; E1267-I1269 VanDerWaalsContact C-N 3.3Å; E1267-I1269 PolarHBondContact O-N 3.28Å; E1267-S1271 WeakPolarHBondContact O-CB 3.03Å; E1267-S1271 PolarHBondContact O-N 3.09Å; E1267-S1271 PolarHBondContact O-OG 3.23Å |
| 1268 | L | 41.3 | Very low | 36.7 | Very low | 138 Ų | 138 | 101 Ų | 101 | 72% | 0.723 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -72.2 | -24.8 | -175.9 | -108.9 | 139.1 | 0 | 0 | 0 | 113 | S1271 | L1268-S1271 PolarHBondContact O-OG 3.36Å |
| 1269 | I | 38 | Very low | 36.5 | Very low | 60 Ų | 60 | 102.8 Ų | 102.8 | 31% | 0.308 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -96.9 | -35.6 | -176.4 | -57.1 | 173.9 | 0 | 0 | 0 | 110.2 | L1261 E1267 S1271 A1272 L1273 | L1261-I1269 HydrophobicContact CD1-CD1 3.78Å; E1267-I1269 VanDerWaalsContact C-N 3.3Å; E1267-I1269 PolarHBondContact O-N 3.28Å; I1269-S1271 VanDerWaalsContact C-N 3.34Å; I1269-S1271 PolarHBondContact O-N 2.98Å; I1269-A1272 PolarHBondContact O-N 3.42Å; I1269-L1273 HydrophobicContact CG2-CD1 3.85Å; I1269-L1273 WeakPolarHBondContact O-CB 3.49Å; I1269-L1273 PolarHBondContact O-N 3Å |
| 1270 | A | 34.7 | Very low | 36.5 | Very low | 52 Ų | 52 | 104 Ų | 104 | 43% | 0.43 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.8 | -39.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1266 L1274 | A1266-A1270 WeakPolarHBondContact O-CB 3.49Å; A1266-A1270 PolarHBondContact O-N 3.47Å; A1266-A1270 VanDerWaalsContact O-N 3.08Å; A1270-L1274 PolarHBondContact O-N 3.24Å |
| 1271 | S | 37.2 | Very low | 36.4 | Very low | 69 Ų | 69 | 105.5 Ų | 105.5 | 48% | 0.483 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67.3 | -36 | 173 | 51.7 | 0 | 0 | 0 | 0 | 112.8 | E1267 L1268 I1269 V1275 | E1267-S1271 WeakPolarHBondContact O-CB 3.03Å; E1267-S1271 PolarHBondContact O-N 3.09Å; E1267-S1271 PolarHBondContact O-OG 3.23Å; L1268-S1271 PolarHBondContact O-OG 3.36Å; I1269-S1271 VanDerWaalsContact C-N 3.34Å; I1269-S1271 PolarHBondContact O-N 2.98Å; S1271-V1275 WeakPolarHBondContact O-CG2 3.39Å |
| 1272 | A | 38.5 | Very low | 36.7 | Very low | 65 Ų | 65 | 106.5 Ų | 106.5 | 54% | 0.537 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -73.4 | -33.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | I1269 | I1269-A1272 PolarHBondContact O-N 3.42Å |
| 1273 | L | 36 | Very low | 36.6 | Very low | 97 Ų | 97 | 107.9 Ų | 107.9 | 51% | 0.508 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -72.3 | -42.1 | 179.6 | -86 | 156 | 0 | 0 | 0 | 112.4 | I1269 S1276 | I1269-L1273 HydrophobicContact CG2-CD1 3.85Å; I1269-L1273 WeakPolarHBondContact O-CB 3.49Å; I1269-L1273 PolarHBondContact O-N 3Å; L1273-S1276 PolarHBondContact O-N 3.44Å; L1273-S1276 PolarHBondContact O-OG 3.15Å |
| 1274 | L | 35.6 | Very low | 36.6 | Very low | 101 Ų | 101 | 109.7 Ų | 109.7 | 53% | 0.529 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -69.7 | -32.6 | -179 | -111.5 | 125.7 | 0 | 0 | 0 | 113.9 | A1270 S1276 | A1270-L1274 PolarHBondContact O-N 3.24Å; L1274-S1276 VanDerWaalsContact C-N 3.26Å; L1274-S1276 PolarHBondContact O-N 3.45Å |
| 1275 | V | 36.6 | Very low | 36.4 | Very low | 130 Ų | 130 | 106.7 Ų | 106.7 | 79% | 0.788 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | -18.1 | -178.9 | 172.4 | 0 | 0 | 0 | 0 | 112.6 | S1271 | S1271-V1275 WeakPolarHBondContact O-CG2 3.39Š|
| 1276 | S | 37.5 | Very low | 36.1 | Very low | 99 Ų | 99 | 105.3 Ų | 105.3 | 69% | 0.692 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -18.2 | -174.7 | 73 | 0 | 0 | 0 | 0 | 115.4 | L1273 L1274 | L1273-S1276 PolarHBondContact O-N 3.44Å; L1273-S1276 PolarHBondContact O-OG 3.15Å; L1274-S1276 VanDerWaalsContact C-N 3.26Å; L1274-S1276 PolarHBondContact O-N 3.45Å |
| 1277 | S | 37.6 | Very low | 36 | Very low | 76 Ų | 76 | 109 Ų | 109 | 53% | 0.531 | 61% | 0.606 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -113.8 | -12.2 | -164.8 | 51.4 | 0 | 0 | 0 | 0 | 116.6 | ||
| 1278 | V | 33.6 | Very low | 36.3 | Very low | 102 Ų | 102 | 106.8 Ų | 106.8 | 62% | 0.618 | 60% | 0.601 | S | S | * | * | trans | -110.9 | 77 | -171.8 | -168.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1279 | K | 29.8 | Very low | 36 | Very low | 203 Ų | 203 | 109.1 Ų | 109.1 | 88% | 0.883 | 60% | 0.6 | S | S | * | * | trans | -138.7 | 94.7 | 163.8 | -81.1 | -174.9 | 179.6 | 176.4 | 0 | 108.1 | ||||
| 1280 | C | 32.1 | Very low | 36 | Very low | 107 Ų | 107 | 111.8 Ų | 111.8 | 72% | 0.723 | 61% | 0.614 | S | S | * | * | trans | 161.7 | 145 | 150.6 | -87.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1281 | F | 32.2 | Very low | 36 | Very low | 198 Ų | 198 | 114 Ų | 114 | 87% | 0.868 | 62% | 0.616 | S | S | * | * | trans | 100.2 | 133.8 | 170 | -56.5 | -75.2 | 0 | 0 | 0 | 118.1 | ||||
| 1282 | S | 38.6 | Very low | 36 | Very low | 75 Ų | 75 | 117.2 Ų | 117.2 | 52% | 0.524 | 62% | 0.621 | S | S | . | * | trans | -89.5 | 144.1 | -166.1 | 54.1 | 0 | 0 | 0 | 0 | 114.4 | E1284 Q1285 | S1282-E1284 PolarHBondContact O-N 3.28Å; S1282-Q1285 PolarHBondContact O-N 3.1Å | ||
| 1283 | L | 32.5 | Very low | 35.7 | Very low | 126 Ų | 126 | 116.8 Ų | 116.8 | 66% | 0.66 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -50.6 | -36.7 | -170.1 | -123.3 | 103.6 | 0 | 0 | 0 | 117.3 | A1286 K1287 | L1283-A1286 PolarHBondContact O-N 2.89Å; L1283-K1287 PolarHBondContact O-N 3.06Å |
| 1284 | E | 36.8 | Very low | 35.5 | Very low | 164 Ų | 164 | 117.7 Ų | 117.7 | 77% | 0.766 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -72 | -32 | -174.6 | -77.4 | 179.2 | 149.7 | 0 | 0 | 113.2 | S1282 A1286 K1287 V1288 | S1282-E1284 PolarHBondContact O-N 3.28Å; E1284-A1286 VanDerWaalsContact C-N 3.35Å; E1284-K1287 PolarHBondContact O-N 2.95Å; E1284-V1288 PolarHBondContact O-N 3.46Å |
| 1285 | Q | 39.2 | Very low | 35.3 | Very low | 113 Ų | 113 | 120.1 Ų | 120.1 | 53% | 0.528 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -74.7 | -27.8 | 179.7 | -68.2 | -177 | -7 | 0 | 0 | 112.2 | S1282 R1289 | S1282-Q1285 PolarHBondContact O-N 3.1Å; Q1285-R1289 WeakPolarHBondContact O-CB 3.45Å; Q1285-R1289 WeakPolarHBondContact O-CG 3.42Å; Q1285-R1289 PolarHBondContact O-N 3.03Å |
| 1286 | A | 39.5 | Very low | 35.2 | Very low | 59 Ų | 59 | 117.8 Ų | 117.8 | 49% | 0.488 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -71.5 | -41.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1283 E1284 R1289 L1290 | L1283-A1286 PolarHBondContact O-N 2.89Å; E1284-A1286 VanDerWaalsContact C-N 3.35Å; A1286-R1289 PolarHBondContact O-N 3.29Å; A1286-L1290 PolarHBondContact O-N 3.49Å |
| 1287 | K | 35.3 | Very low | 34.9 | Very low | 134 Ų | 134 | 118.1 Ų | 118.1 | 58% | 0.583 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -61.8 | -51 | 179.1 | -171.7 | -177.7 | 173.6 | -172.2 | 0 | 112.7 | L1283 E1284 R1289 L1290 E1291 | L1283-K1287 PolarHBondContact O-N 3.06Å; E1284-K1287 PolarHBondContact O-N 2.95Å; K1287-R1289 VanDerWaalsContact C-N 3.28Å; K1287-R1289 PolarHBondContact O-N 3.01Å; K1287-L1290 PolarHBondContact O-N 2.86Å; K1287-E1291 WeakPolarHBondContact CE-OE1 3.37Å; K1287-E1291 WeakPolarHBondContact O-CG 3.42Å; K1287-E1291 PolarHBondContact O-N 2.91Å |
| 1288 | V | 40.7 | Very low | 34.3 | Very low | 74 Ų | 74 | 120.9 Ų | 120.9 | 45% | 0.448 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -64.9 | -31.1 | -179.1 | 175.4 | 0 | 0 | 0 | 0 | 112.3 | E1284 K1292 | E1284-V1288 PolarHBondContact O-N 3.46Å; V1288-K1292 HydrophobicContact CG1-CD 4.5Å; V1288-K1292 WeakPolarHBondContact O-CB 3.16Å; V1288-K1292 WeakPolarHBondContact O-CG 3.33Å; V1288-K1292 PolarHBondContact O-N 3.45Å; V1288-K1292 VanDerWaalsContact O-N 3.11Å |
| 1289 | R | 34.2 | Very low | 34 | Very low | 188 Ų | 188 | 121.2 Ų | 121.2 | 71% | 0.709 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -77.6 | -32.8 | 177.4 | -78.3 | -176 | 173 | 158 | -0.2 | 113 | Q1285 A1286 K1287 A1293 | Q1285-R1289 WeakPolarHBondContact O-CB 3.45Å; Q1285-R1289 WeakPolarHBondContact O-CG 3.42Å; Q1285-R1289 PolarHBondContact O-N 3.03Å; A1286-R1289 PolarHBondContact O-N 3.29Å; K1287-R1289 VanDerWaalsContact C-N 3.28Å; K1287-R1289 PolarHBondContact O-N 3.01Å; R1289-A1293 VanDerWaalsContact O-CB 3.28Å; R1289-A1293 WeakPolarHBondContact O-CB 3.37Å; R1289-A1293 PolarHBondContact O-N 3.25Å |
| 1290 | L | 37 | Very low | 33.9 | Very low | 115 Ų | 115 | 117.2 Ų | 117.2 | 60% | 0.602 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -68.1 | -43.7 | 172.1 | -116.7 | 136.5 | 0 | 0 | 0 | 111.3 | A1286 K1287 A1293 I1294 | A1286-L1290 PolarHBondContact O-N 3.49Å; K1287-L1290 PolarHBondContact O-N 2.86Å; L1290-A1293 PolarHBondContact O-N 3.48Å; L1290-I1294 HydrophobicContact CD2-CD1 4.38Å; L1290-I1294 WeakPolarHBondContact O-CD1 3.46Å; L1290-I1294 VanDerWaalsContact O-CG1 3.29Å; L1290-I1294 WeakPolarHBondContact O-CG1 3.48Å; L1290-I1294 PolarHBondContact O-N 3.08Å; L1290-I1294 VanDerWaalsContact O-N 3.09Å |
| 1291 | E | 36.4 | Very low | 33.5 | Very low | 99 Ų | 99 | 118.7 Ų | 118.7 | 46% | 0.463 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -62.8 | -42.7 | 176.1 | -72.1 | 169.5 | 173.1 | 0 | 0 | 111.6 | K1287 I1294 E1295 | K1287-E1291 WeakPolarHBondContact CE-OE1 3.37Å; K1287-E1291 WeakPolarHBondContact O-CG 3.42Å; K1287-E1291 PolarHBondContact O-N 2.91Å; E1291-I1294 PolarHBondContact O-N 3.3Å; E1291-E1295 PolarHBondContact O-N 2.9Å; E1291-E1295 VanDerWaalsContact O-N 3.13Å |
| 1292 | K | 35.6 | Very low | 33.2 | Very low | 137 Ų | 137 | 112.5 Ų | 112.5 | 60% | 0.596 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -69.2 | -29.5 | 174.6 | -78 | -174.9 | 175.7 | -174.3 | 0 | 114.6 | V1288 A1296 | V1288-K1292 HydrophobicContact CG1-CD 4.5Å; V1288-K1292 WeakPolarHBondContact O-CB 3.16Å; V1288-K1292 WeakPolarHBondContact O-CG 3.33Å; V1288-K1292 PolarHBondContact O-N 3.45Å; V1288-K1292 VanDerWaalsContact O-N 3.11Å; K1292-A1296 WeakPolarHBondContact O-CB 3.33Å; K1292-A1296 PolarHBondContact O-N 3.5Å; K1292-A1296 VanDerWaalsContact O-N 3.12Å |
| 1293 | A | 33.3 | Very low | 32.6 | Very low | 56 Ų | 56 | 119.4 Ų | 119.4 | 46% | 0.463 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -72.9 | -31.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | R1289 L1290 V1297 | R1289-A1293 VanDerWaalsContact O-CB 3.28Å; R1289-A1293 WeakPolarHBondContact O-CB 3.37Å; R1289-A1293 PolarHBondContact O-N 3.25Å; L1290-A1293 PolarHBondContact O-N 3.48Å; A1293-V1297 WeakPolarHBondContact O-CG2 3.3Å |
| 1294 | I | 32.1 | Very low | 32.2 | Very low | 115 Ų | 115 | 120.6 Ų | 120.6 | 59% | 0.59 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -72.5 | -37.7 | 173.8 | -66.2 | 164.3 | 0 | 0 | 0 | 110.6 | L1290 E1291 | L1290-I1294 HydrophobicContact CD2-CD1 4.38Å; L1290-I1294 WeakPolarHBondContact O-CD1 3.46Å; L1290-I1294 VanDerWaalsContact O-CG1 3.29Å; L1290-I1294 WeakPolarHBondContact O-CG1 3.48Å; L1290-I1294 PolarHBondContact O-N 3.08Å; L1290-I1294 VanDerWaalsContact O-N 3.09Å; E1291-I1294 PolarHBondContact O-N 3.3Å |
| 1295 | E | 31.7 | Very low | 31.6 | Very low | 152 Ų | 152 | 120.2 Ų | 120.2 | 71% | 0.71 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -71.3 | -24.3 | 175 | -73.7 | 179.5 | 167.3 | 0 | 0 | 114 | E1291 V1297 | E1291-E1295 PolarHBondContact O-N 2.9Å; E1291-E1295 VanDerWaalsContact O-N 3.13Å; E1295-V1297 VanDerWaalsContact C-N 3.34Å; E1295-V1297 PolarHBondContact O-N 3.49Å |
| 1296 | A | 34.3 | Very low | 30.9 | Very low | 81 Ų | 81 | 120.8 Ų | 120.8 | 67% | 0.669 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | K1292 | K1292-A1296 WeakPolarHBondContact O-CB 3.33Å; K1292-A1296 PolarHBondContact O-N 3.5Å; K1292-A1296 VanDerWaalsContact O-N 3.12Å |
| 1297 | V | 30.3 | Very low | 30.3 | Very low | 107 Ų | 107 | 124.5 Ų | 124.5 | 65% | 0.648 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | 3 | -172.7 | 173.7 | 0 | 0 | 0 | 0 | 113.2 | A1293 E1295 | A1293-V1297 WeakPolarHBondContact O-CG2 3.3Å; E1295-V1297 VanDerWaalsContact C-N 3.34Å; E1295-V1297 PolarHBondContact O-N 3.49Å |
| 1298 | L | 24.4 | Very low | 29.9 | Very low | 133 Ų | 133 | 121.4 Ų | 121.4 | 70% | 0.696 | 68% | 0.682 | S | S | * | * | trans | -121.3 | 116.1 | 170.8 | -71.8 | 147.3 | 0 | 0 | 0 | 107.5 | ||||
| 1299 | P | 28.9 | Very low | 29.1 | Very low | 110 Ų | 110 | 125.5 Ų | 125.5 | 71% | 0.714 | 69% | 0.694 | S | S | * | * | -159.2 | -178.8 | 58.6 | 37.8 | -12.5 | 0 | 0 | 0 | 117.8 | |||||
| 1300 | T | 26.1 | Very low | 28.7 | Very low | 118 Ų | 118 | 125.7 Ų | 125.7 | 72% | 0.724 | 70% | 0.703 | S | S | * | * | trans | 64.5 | 118.5 | 145.2 | 48.3 | 0 | 0 | 0 | 0 | 123 | ||||
| 1301 | T | 24.9 | Very low | 28.4 | Very low | 138 Ų | 138 | 124.4 Ų | 124.4 | 85% | 0.847 | 71% | 0.709 | S | S | * | * | trans | 66.2 | 104.7 | 146.8 | 53.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1302 | G | 25.1 | Very low | 27.9 | Very low | 68 Ų | 68 | 124.4 Ų | 124.4 | 70% | 0.701 | 71% | 0.71 | S | S | * | * | 70.5 | 107.8 | 129.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 1303 | F | 25.7 | Very low | 27.5 | Very low | 221 Ų | 221 | 126.1 Ų | 126.1 | 97% | 0.969 | 73% | 0.725 | S | S | * | * | trans | -163.7 | 125.6 | 135.5 | -110.7 | -78.7 | 0 | 0 | 0 | 111.1 | ||||
| 1304 | L | 24 | Very low | 27.2 | Very low | 150 Ų | 150 | 125.9 Ų | 125.9 | 79% | 0.785 | 73% | 0.728 | S | S | * | * | trans | -74.1 | 143.3 | 174.1 | -98.6 | 127 | 0 | 0 | 0 | 111.7 | ||||
| 1305 | L | 25 | Very low | 27 | Very low | 156 Ų | 156 | 126.8 Ų | 126.8 | 82% | 0.817 | 73% | 0.728 | S | S | * | * | 155.2 | 151.3 | 111.3 | -101.3 | 133.4 | 0 | 0 | 0 | 113.9 | |||||
| 1306 | V | 23.9 | Very low | 26.9 | Very low | 126 Ų | 126 | 123.9 Ų | 123.9 | 76% | 0.764 | 72% | 0.722 | S | S | * | * | trans | 96.2 | 72 | 162.8 | -158.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1307 | I | 27.2 | Very low | 26.6 | Very low | 137 Ų | 137 | 125.5 Ų | 125.5 | 70% | 0.703 | 72% | 0.715 | S | S | * | * | trans | -140.3 | 137 | 151.2 | -59.4 | -176.4 | 0 | 0 | 0 | 109.1 | ||||
| 1308 | G | 26.5 | Very low | 26.6 | Very low | 69 Ų | 69 | 125 Ų | 125 | 71% | 0.711 | 71% | 0.709 | S | S | * | * | trans | -65.2 | 143.6 | -168.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | E1310 | G1308-E1310 PolarHBondContact O-N 2.91Š| ||
| 1309 | F | 24.6 | Very low | 27 | Very low | 159 Ų | 159 | 121.9 Ų | 121.9 | 70% | 0.697 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -98.1 | 47.1 | -164.9 | -117.7 | -87.2 | 0 | 0 | 0 | 113.6 | M1312 | F1309-M1312 HydrophobicContact CD1-CB 4.31Å; F1309-M1312 HydrophobicContact CD1-CE 4.34Å; F1309-M1312 HydrophobicContact CD2-CE 4.36Å; F1309-M1312 HydrophobicContact CE1-CB 4.21Å; F1309-M1312 HydrophobicContact CE1-CE 3.71Å; F1309-M1312 HydrophobicContact CE1-CG 4.28Å; F1309-M1312 HydrophobicContact CE1-SD 3.76Å; F1309-M1312 HydrophobicContact CE2-CE 3.74Å; F1309-M1312 HydrophobicContact CZ-CE 3.38Å; F1309-M1312 HydrophobicContact CZ-SD 3.92Å |
| 1310 | E | 25.4 | Very low | 27.1 | Very low | 193 Ų | 193 | 121 Ų | 121 | 90% | 0.902 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -102.5 | -2.5 | 171.9 | -80.3 | -175.4 | 163.1 | 0 | 0 | 113.4 | G1308 | G1308-E1310 PolarHBondContact O-N 2.91Š|
| 1311 | A | 30.4 | Very low | 27.3 | Very low | 87 Ų | 87 | 120.2 Ų | 120.2 | 72% | 0.719 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -114.3 | 21.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1312 | M | 27 | Very low | 27.6 | Very low | 99 Ų | 99 | 120.2 Ų | 120.2 | 49% | 0.488 | 67% | 0.671 | S | S | . | * | trans | -119.4 | 6.9 | -175.5 | -76.7 | -149.1 | -134.4 | 0 | 0 | 116.2 | F1309 G1314 | F1309-M1312 HydrophobicContact CD1-CB 4.31Å; F1309-M1312 HydrophobicContact CD1-CE 4.34Å; F1309-M1312 HydrophobicContact CD2-CE 4.36Å; F1309-M1312 HydrophobicContact CE1-CB 4.21Å; F1309-M1312 HydrophobicContact CE1-CE 3.71Å; F1309-M1312 HydrophobicContact CE1-CG 4.28Å; F1309-M1312 HydrophobicContact CE1-SD 3.76Å; F1309-M1312 HydrophobicContact CE2-CE 3.74Å; F1309-M1312 HydrophobicContact CZ-CE 3.38Å; F1309-M1312 HydrophobicContact CZ-SD 3.92Å; M1312-G1314 PolarHBondContact O-N 2.8Å | ||
| 1313 | L | 26 | Very low | 27.8 | Very low | 173 Ų | 173 | 120.5 Ų | 120.5 | 91% | 0.906 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | 11 | -170.4 | -78.8 | 162.5 | 0 | 0 | 0 | 116.2 | ||
| 1314 | G | 28.4 | Very low | 27.9 | Very low | 52 Ų | 52 | 117 Ų | 117 | 54% | 0.536 | 65% | 0.647 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -118.4 | -1.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 117 | M1312 | M1312-G1314 PolarHBondContact O-N 2.8Š|
| 1315 | F | 27.7 | Very low | 28.4 | Very low | 133 Ų | 133 | 113.2 Ų | 113.2 | 58% | 0.583 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -106.4 | 137.6 | -173.7 | -106.1 | -95 | 0 | 0 | 0 | 113.1 | L939 F1317 | L939-F1315 HydrophobicContact CD1-CZ 4.41Å; F1315-F1317 VanDerWaalsContact C-N 3.29Å; F1315-F1317 HydrophobicContact CB-CD2 4.09Å; F1315-F1317 HydrophobicContact CB-CE2 4.39Å; F1315-F1317 PolarHBondContact O-N 3.49Å |
| 1316 | P | 29.4 | Very low | 28.8 | Very low | 91 Ų | 91 | 111.7 Ų | 111.7 | 59% | 0.591 | 63% | 0.634 | S | S | * | * | trans | -76.9 | 79.4 | 178.2 | 32.9 | -33.2 | 0 | 0 | 0 | 110.1 | D1318 | P1316-D1318 VanDerWaalsContact C-N 3.3Å; P1316-D1318 PolarHBondContact O-N 3.33Å | ||
| 1317 | F | 28.7 | Very low | 29.2 | Very low | 116 Ų | 116 | 109.1 Ų | 109.1 | 51% | 0.509 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -69.8 | -23.1 | -180 | -107.5 | -88.4 | 0 | 0 | 0 | 113.2 | F1315 A1319 I1320 L1321 | F1315-F1317 VanDerWaalsContact C-N 3.29Å; F1315-F1317 HydrophobicContact CB-CD2 4.09Å; F1315-F1317 HydrophobicContact CB-CE2 4.39Å; F1315-F1317 PolarHBondContact O-N 3.49Å; F1317-A1319 PolarHBondContact O-N 3.39Å; F1317-I1320 PolarHBondContact O-N 2.89Å; F1317-L1321 HydrophobicContact CB-CD1 4.29Å; F1317-L1321 HydrophobicContact CD1-CD1 3.76Å; F1317-L1321 VanDerWaalsContact O-CB 3.31Å; F1317-L1321 WeakPolarHBondContact O-CB 3.33Å; F1317-L1321 PolarHBondContact O-N 3.24Å |
| 1318 | D | 29.2 | Very low | 29.4 | Very low | 97 Ų | 97 | 108.8 Ų | 108.8 | 52% | 0.519 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -70.9 | -31 | -178.8 | -82.8 | -22.7 | 0 | 0 | 0 | 114.3 | P1316 Q1322 | P1316-D1318 VanDerWaalsContact C-N 3.3Å; P1316-D1318 PolarHBondContact O-N 3.33Å; D1318-Q1322 VanDerWaalsContact O-CB 3.28Å; D1318-Q1322 WeakPolarHBondContact O-CB 3.37Å; D1318-Q1322 VanDerWaalsContact O-CG 3.3Å; D1318-Q1322 WeakPolarHBondContact O-CG 3.48Å; D1318-Q1322 PolarHBondContact O-N 3.25Å |
| 1319 | A | 32 | Very low | 29.5 | Very low | 67 Ų | 67 | 109.1 Ų | 109.1 | 55% | 0.554 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -77.6 | -23.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | F1317 S1323 | F1317-A1319 PolarHBondContact O-N 3.39Å; A1319-S1323 WeakPolarHBondContact O-CB 3.42Å; A1319-S1323 PolarHBondContact O-OG 2.98Å |
| 1320 | I | 31.9 | Very low | 29.7 | Very low | 92 Ų | 92 | 109.5 Ų | 109.5 | 47% | 0.472 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -94.1 | -31.7 | 178.2 | -62.4 | 175.5 | 0 | 0 | 0 | 110.6 | F1317 S1323 K1324 | F1317-I1320 PolarHBondContact O-N 2.89Å; I1320-S1323 PolarHBondContact O-OG 3.4Å; I1320-K1324 HydrophobicContact CG2-CD 4.46Å; I1320-K1324 WeakPolarHBondContact O-CB 3.38Å; I1320-K1324 PolarHBondContact O-N 3.23Å |
| 1321 | L | 29.6 | Very low | 29.9 | Very low | 101 Ų | 101 | 108.6 Ų | 108.6 | 53% | 0.529 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -72 | -37.9 | 171.2 | -90.3 | 149.5 | 0 | 0 | 0 | 112.3 | F1317 A1325 | F1317-L1321 HydrophobicContact CB-CD1 4.29Å; F1317-L1321 HydrophobicContact CD1-CD1 3.76Å; F1317-L1321 VanDerWaalsContact O-CB 3.31Å; F1317-L1321 WeakPolarHBondContact O-CB 3.33Å; F1317-L1321 PolarHBondContact O-N 3.24Å; L1321-A1325 WeakPolarHBondContact O-CB 3.44Å; L1321-A1325 PolarHBondContact O-N 3.08Å |
| 1322 | Q | 31.1 | Very low | 29.8 | Very low | 137 Ų | 137 | 109.2 Ų | 109.2 | 64% | 0.64 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -75.3 | -27.4 | 177.1 | -72.4 | -178.7 | -5.4 | 0 | 0 | 114.1 | D1318 T1326 | D1318-Q1322 VanDerWaalsContact O-CB 3.28Å; D1318-Q1322 WeakPolarHBondContact O-CB 3.37Å; D1318-Q1322 VanDerWaalsContact O-CG 3.3Å; D1318-Q1322 WeakPolarHBondContact O-CG 3.48Å; D1318-Q1322 PolarHBondContact O-N 3.25Å; Q1322-T1326 WeakPolarHBondContact O-CG2 3.03Å; Q1322-T1326 PolarHBondContact O-OG1 2.97Å |
| 1323 | S | 29.7 | Very low | 29.9 | Very low | 74 Ų | 74 | 110.3 Ų | 110.3 | 52% | 0.517 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -83.4 | -20.1 | 175.5 | 59.5 | 0 | 0 | 0 | 0 | 113.9 | A1319 I1320 | A1319-S1323 WeakPolarHBondContact O-CB 3.42Å; A1319-S1323 PolarHBondContact O-OG 2.98Å; I1320-S1323 PolarHBondContact O-OG 3.4Å |
| 1324 | K | 29.4 | Very low | 29.8 | Very low | 149 Ų | 149 | 108.2 Ų | 108.2 | 65% | 0.648 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -97.8 | -26 | 172.4 | -79.1 | -179.8 | 172.6 | 176.1 | 0 | 114.2 | I1320 T1326 A1327 | I1320-K1324 HydrophobicContact CG2-CD 4.46Å; I1320-K1324 WeakPolarHBondContact O-CB 3.38Å; I1320-K1324 PolarHBondContact O-N 3.23Å; K1324-T1326 VanDerWaalsContact C-N 3.35Å; K1324-A1327 PolarHBondContact O-N 2.99Å |
| 1325 | A | 33.3 | Very low | 29.7 | Very low | 70 Ų | 70 | 111.1 Ų | 111.1 | 58% | 0.579 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -73.3 | -25.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | L1321 A1327 | L1321-A1325 WeakPolarHBondContact O-CB 3.44Å; L1321-A1325 PolarHBondContact O-N 3.08Å; A1325-A1327 VanDerWaalsContact C-N 3.25Å; A1325-A1327 PolarHBondContact O-N 3.26Å |
| 1326 | T | 33.2 | Very low | 29.4 | Very low | 123 Ų | 123 | 109.8 Ų | 109.8 | 76% | 0.755 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -78 | -7.2 | 174.3 | 44.2 | 0 | 0 | 0 | 0 | 113.8 | Q1322 K1324 | Q1322-T1326 WeakPolarHBondContact O-CG2 3.03Å; Q1322-T1326 PolarHBondContact O-OG1 2.97Å; K1324-T1326 VanDerWaalsContact C-N 3.35Å |
| 1327 | A | 33.7 | Very low | 29.2 | Very low | 72 Ų | 72 | 115.6 Ų | 115.6 | 60% | 0.595 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -100.3 | -19.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | K1324 A1325 | K1324-A1327 PolarHBondContact O-N 2.99Å; A1325-A1327 VanDerWaalsContact C-N 3.25Å; A1325-A1327 PolarHBondContact O-N 3.26Å |
| 1328 | N | 30.1 | Very low | 28.9 | Very low | 130 Ų | 130 | 117.5 Ų | 117.5 | 70% | 0.695 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -133.1 | 7.9 | -164.7 | -75.3 | -20.4 | 0 | 0 | 0 | 117.8 | L1330 | N1328-L1330 PolarHBondContact O-N 3.23Å |
| 1329 | G | 29.1 | Very low | 28.8 | Very low | 77 Ų | 77 | 120.6 Ų | 120.6 | 79% | 0.794 | 71% | 0.711 | S | S | * | * | trans | 53.3 | 43.4 | 159.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1330 | L | 28.9 | Very low | 28.4 | Very low | 166 Ų | 166 | 126.5 Ų | 126.5 | 87% | 0.869 | 73% | 0.727 | S | S | * | * | trans | -136.5 | 130.7 | 177.6 | -83 | 158.7 | 0 | 0 | 0 | 112 | N1328 | N1328-L1330 PolarHBondContact O-N 3.23Š| ||
| 1331 | D | 29.2 | Very low | 28.2 | Very low | 174 Ų | 174 | 126.8 Ų | 126.8 | 93% | 0.93 | 73% | 0.733 | S | S | * | * | trans | -77.3 | 140.6 | 178.1 | -62.6 | -44.2 | 0 | 0 | 0 | 112.1 | ||||
| 1332 | A | 29.3 | Very low | 27.8 | Very low | 100 Ų | 100 | 126.7 Ų | 126.7 | 83% | 0.826 | 74% | 0.74 | S | S | * | * | trans | -123.3 | 140.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1333 | P | 28.2 | Very low | 27.5 | Very low | 122 Ų | 122 | 127.5 Ų | 127.5 | 79% | 0.792 | 75% | 0.749 | S | S | * | * | trans | -89.6 | 155.4 | -168.3 | 36 | -35.5 | 0 | 0 | 0 | 115 | ||||
| 1334 | T | 23.8 | Very low | 27.4 | Very low | 130 Ų | 130 | 128.7 Ų | 128.7 | 80% | 0.798 | 75% | 0.753 | S | S | * | * | trans | -80.6 | 128.4 | 176.7 | 10.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1335 | V | 26.5 | Very low | 27.2 | Very low | 112 Ų | 112 | 126.5 Ų | 126.5 | 68% | 0.679 | 76% | 0.757 | S | S | * | * | trans | -140.8 | 127.1 | 165.5 | -177.5 | 0 | 0 | 0 | 0 | 110.1 | Y1337 | V1335-Y1337 HydrophobicContact CG1-CD2 4.23Å; V1335-Y1337 HydrophobicContact CG1-CE2 3.63Å | ||
| 1336 | S | 21.8 | Very low | 26.9 | Very low | 105 Ų | 105 | 127.8 Ų | 127.8 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | trans | -82 | 142.1 | -179.7 | 51.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1337 | Y | 25.4 | Very low | 26.5 | Very low | 214 Ų | 214 | 127.2 Ų | 127.2 | 84% | 0.839 | 74% | 0.741 | S | S | * | * | trans | -145.6 | 133.9 | 163.6 | -79.3 | -76.8 | 0 | 0 | 0 | 113.3 | V1335 | V1335-Y1337 HydrophobicContact CG1-CD2 4.23Å; V1335-Y1337 HydrophobicContact CG1-CE2 3.63Å | ||
| 1338 | D | 22.5 | Very low | 26.3 | Very low | 155 Ų | 155 | 128.5 Ų | 128.5 | 83% | 0.829 | 74% | 0.737 | S | S | * | * | trans | -67.4 | 138 | 174.1 | -77.1 | -45.4 | 0 | 0 | 0 | 113.1 | ||||
| 1339 | L | 26.3 | Very low | 26 | Very low | 162 Ų | 162 | 129.4 Ų | 129.4 | 85% | 0.848 | 74% | 0.743 | S | S | * | * | trans | -126.3 | 118.6 | 169.4 | -89.3 | 158.6 | 0 | 0 | 0 | 110.7 | ||||
| 1340 | Q | 23.8 | Very low | 25.9 | Very low | 192 Ų | 192 | 133.5 Ų | 133.5 | 90% | 0.897 | 75% | 0.745 | S | S | * | * | trans | -69.5 | 126.9 | 172.7 | -70.8 | -176.4 | -26.7 | 0 | 0 | 110.5 | ||||
| 1341 | V | 26.7 | Very low | 25.7 | Very low | 98 Ų | 98 | 136.2 Ų | 136.2 | 59% | 0.594 | 75% | 0.746 | S | S | * | * | trans | -94.8 | 100 | -177.2 | -177.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1342 | S | 22.4 | Very low | 25.5 | Very low | 98 Ų | 98 | 131.8 Ų | 131.8 | 69% | 0.685 | 73% | 0.733 | S | S | * | * | trans | -124.7 | 128.8 | 155.6 | 51.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1343 | D | 24 | Very low | 25.3 | Very low | 154 Ų | 154 | 133.1 Ų | 133.1 | 82% | 0.824 | 73% | 0.733 | S | S | * | * | trans | 91.8 | 71.7 | -179.6 | -55 | -23 | 0 | 0 | 0 | 117.8 | ||||
| 1344 | V | 29 | Very low | 25.2 | Very low | 100 Ų | 100 | 131.3 Ų | 131.3 | 61% | 0.606 | 72% | 0.723 | S | S | * | * | trans | -141.8 | 96.5 | 154.1 | -170.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1345 | S | 25 | Very low | 25.2 | Very low | 103 Ų | 103 | 131.9 Ų | 131.9 | 72% | 0.72 | 73% | 0.726 | S | S | * | * | trans | -111.3 | 18.7 | -179.9 | 55.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1346 | N | 26.3 | Very low | 25.1 | Very low | 96 Ų | 96 | 131.7 Ų | 131.7 | 51% | 0.513 | 73% | 0.729 | S | S | . | * | trans | -118.4 | 113.3 | 175.2 | -86.6 | -0.7 | 0 | 0 | 0 | 111.1 | A874 | A874-N1346 VanDerWaalsContact CA-OD1 3.3Å; A874-N1346 WeakPolarHBondContact CA-OD1 3.31Å | ||
| 1347 | K | 25.5 | Very low | 25.2 | Very low | 111 Ų | 111 | 130.7 Ų | 130.7 | 48% | 0.483 | 73% | 0.728 | S | S | . | * | trans | -137.3 | 20 | -170.7 | -98.3 | -163.4 | -179.8 | -167.2 | 0 | 118.3 | ||||
| 1348 | D | 27.7 | Very low | 25.2 | Very low | 99 Ų | 99 | 126.9 Ų | 126.9 | 53% | 0.529 | 73% | 0.727 | S | S | . | * | S | Bend | trans | -112.5 | 10.4 | -175.1 | -69.9 | -26.4 | 0 | 0 | 0 | 116.5 | P877 | P877-D1348 WeakPolarHBondContact CD-OD2 3.4Å; P877-D1348 HydrophobicContact CG-CB 3.36Å |
| 1349 | N | 25 | Very low | 25.3 | Very low | 150 Ų | 150 | 127 Ų | 127 | 80% | 0.802 | 73% | 0.727 | S | S | * | * | trans | -117.3 | 34.3 | -171.6 | -89.3 | -5.9 | 0 | 0 | 0 | 117.5 | ||||
| 1350 | L | 26.1 | Very low | 25.3 | Very low | 163 Ų | 163 | 126.1 Ų | 126.1 | 85% | 0.853 | 72% | 0.716 | S | S | * | * | trans | -118.4 | 77.8 | 179.6 | -81.5 | 151.9 | 0 | 0 | 0 | 113.4 | ||||
| 1351 | Y | 25.5 | Very low | 25.4 | Very low | 223 Ų | 223 | 123.6 Ų | 123.6 | 88% | 0.875 | 71% | 0.709 | S | S | * | * | trans | -133.7 | 67 | 157.6 | -86.5 | -81.2 | 0 | 0 | 0 | 110 | ||||
| 1352 | A | 25.7 | Very low | 25.3 | Very low | 80 Ų | 80 | 123.5 Ų | 123.5 | 66% | 0.661 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -152.4 | 129.7 | 158.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | C1354 | A1352-C1354 PolarHBondContact O-N 3.07Š|
| 1353 | P | 24.3 | Very low | 25.5 | Very low | 128 Ų | 128 | 126.1 Ų | 126.1 | 83% | 0.831 | 72% | 0.724 | S | S | * | * | trans | -83.3 | 113.8 | -177.9 | 32.4 | -28.8 | 0 | 0 | 0 | 109.5 | ||||
| 1354 | C | 25.3 | Very low | 25.7 | Very low | 85 Ų | 85 | 127.8 Ų | 127.8 | 57% | 0.574 | 73% | 0.727 | S | S | * | * | trans | -140.6 | 100.4 | 162.3 | -82.9 | 0 | 0 | 0 | 0 | 109.3 | A1352 | A1352-C1354 PolarHBondContact O-N 3.07Š| ||
| 1355 | T | 23.9 | Very low | 25.7 | Very low | 141 Ų | 141 | 127.7 Ų | 127.7 | 87% | 0.865 | 74% | 0.737 | S | S | * | * | trans | 2.2 | 113.3 | 144.3 | 50.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1356 | S | 25.9 | Very low | 26 | Very low | 108 Ų | 108 | 126 Ų | 126 | 76% | 0.755 | 74% | 0.736 | S | S | * | * | trans | -147.4 | 131 | 138.7 | 54.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1357 | A | 23.8 | Very low | 26.3 | Very low | 85 Ų | 85 | 127.5 Ų | 127.5 | 70% | 0.702 | 75% | 0.751 | S | S | * | * | trans | -81.3 | 131.8 | -165.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1358 | V | 25.1 | Very low | 26.9 | Very low | 134 Ų | 134 | 125.6 Ų | 125.6 | 81% | 0.812 | 75% | 0.746 | S | S | * | * | trans | -112.4 | 103 | 154.4 | 179.7 | 0 | 0 | 0 | 0 | 106.3 | F1360 | V1358-F1360 PolarHBondContact O-N 3.47Š| ||
| 1359 | L | 23.9 | Very low | 27.4 | Very low | 158 Ų | 158 | 129.3 Ų | 129.3 | 83% | 0.827 | 76% | 0.757 | S | S | * | * | trans | -60.1 | 115 | 172.1 | -80.6 | 145.9 | 0 | 0 | 0 | 109.4 | ||||
| 1360 | F | 26.1 | Very low | 28.2 | Very low | 143 Ų | 143 | 130.3 Ų | 130.3 | 63% | 0.627 | 75% | 0.75 | S | S | * | * | trans | -74.2 | 126.2 | 153 | -95.3 | -87.7 | 0 | 0 | 0 | 107.7 | V1358 A1362 D1384 | V1358-F1360 PolarHBondContact O-N 3.47Å; F1360-A1362 PolarHBondContact O-N 3.39Å; F1360-D1384 WeakPolarHBondContact CE1-OD2 3.23Å; F1360-D1384 HydrophobicContact CZ-CB 3.94Å; F1360-D1384 VanDerWaalsContact CZ-OD2 3.28Å; F1360-D1384 WeakPolarHBondContact CZ-OD2 3.23Å | ||
| 1361 | N | 25.2 | Very low | 29 | Very low | 139 Ų | 139 | 124.6 Ų | 124.6 | 74% | 0.743 | 72% | 0.72 | S | S | * | * | trans | -53.5 | 99.5 | 172.7 | -88.2 | -28.6 | 0 | 0 | 0 | 110.1 | D1363 | N1361-D1363 PolarHBondContact O-N 3.29Š| ||
| 1362 | A | 26.6 | Very low | 29.7 | Very low | 96 Ų | 96 | 116.4 Ų | 116.4 | 79% | 0.793 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | 12.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | F1360 | F1360-A1362 PolarHBondContact O-N 3.39Š|
| 1363 | D | 25.9 | Very low | 30.4 | Very low | 152 Ų | 152 | 117.5 Ų | 117.5 | 81% | 0.813 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -2.4 | -172.6 | -78.6 | -19.5 | 0 | 0 | 0 | 114.7 | N1361 | N1361-D1363 PolarHBondContact O-N 3.29Š|
| 1364 | Q | 27.9 | Very low | 31.4 | Very low | 189 Ų | 189 | 112.6 Ų | 112.6 | 88% | 0.883 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -147.9 | 68.4 | -178.4 | -63.4 | -168.9 | 4.5 | 0 | 0 | 114.4 | ||
| 1365 | A | 28.5 | Very low | 32.2 | Very low | 99 Ų | 99 | 110 Ų | 110 | 82% | 0.818 | 65% | 0.645 | S | S | * | * | trans | 179 | 114.7 | 149.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1366 | G | 32.4 | Very low | 33 | Very low | 68 Ų | 68 | 110 Ų | 110 | 70% | 0.701 | 64% | 0.635 | S | S | * | * | trans | 66.6 | 169.6 | 135.4 | 0 | 0 | 0 | 0 | 0 | 120.5 | D1368 | G1366-D1368 PolarHBondContact O-N 2.88Š| ||
| 1367 | P | 31.2 | Very low | 33.6 | Very low | 126 Ų | 126 | 109.3 Ų | 109.3 | 82% | 0.818 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -79.9 | 5.3 | -157.9 | 31.4 | -35 | 0 | 0 | 0 | 117.4 | K1369 | P1367-K1369 PolarHBondContact O-N 3.17Š|
| 1368 | D | 38.9 | Very low | 34.5 | Very low | 72 Ų | 72 | 106 Ų | 106 | 39% | 0.385 | 60% | 0.597 | S | S | . | * | trans | -103.8 | 55.6 | -164.5 | -83.2 | -18.4 | 0 | 0 | 0 | 115.2 | G1366 R1370 L1371 A1372 | G1366-D1368 PolarHBondContact O-N 2.88Å; D1368-R1370 PolarHBondContact O-N 3.28Å; D1368-R1370 VanDerWaalsContact O-N 3.14Å; D1368-L1371 HydrophobicContact CB-CB 4.19Å; D1368-L1371 HydrophobicContact CB-CD1 4.21Å; D1368-L1371 PolarHBondContact O-N 2.84Å; D1368-A1372 PolarHBondContact O-N 3.03Å | ||
| 1369 | K | 39.1 | Very low | 35 | Very low | 176 Ų | 176 | 103.4 Ų | 103.4 | 77% | 0.765 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -56.1 | -29.4 | 175.7 | -147.9 | 175.3 | -172.2 | 177.6 | 0 | 113.6 | P1367 D1373 | P1367-K1369 PolarHBondContact O-N 3.17Å; K1369-D1373 PolarHBondContact O-N 3.15Å |
| 1370 | R | 40 | Very low | 35.3 | Very low | 171 Ų | 171 | 100.4 Ų | 100.4 | 65% | 0.645 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -76.7 | -35 | 179.6 | -74.8 | -175.9 | 177.4 | -179.9 | -0.2 | 113.8 | D1368 A1372 D1373 I1374 | D1368-R1370 PolarHBondContact O-N 3.28Å; D1368-R1370 VanDerWaalsContact O-N 3.14Å; R1370-A1372 VanDerWaalsContact C-N 3.27Å; R1370-D1373 PolarHBondContact O-N 3.13Å; R1370-I1374 WeakPolarHBondContact O-CG1 3.48Å; R1370-I1374 PolarHBondContact O-N 3.29Å |
| 1371 | L | 44.3 | Very low | 36.1 | Very low | 43 Ų | 43 | 94.8 Ų | 94.8 | 23% | 0.225 | 56% | 0.561 | C | S | . | * | H | α-helix | trans | -67.1 | -34.5 | 174.1 | -105.9 | 152.9 | 0 | 0 | 0 | 110.3 | D1368 I1374 A1375 Q1495 | D1368-L1371 HydrophobicContact CB-CB 4.19Å; D1368-L1371 HydrophobicContact CB-CD1 4.21Å; D1368-L1371 PolarHBondContact O-N 2.84Å; L1371-I1374 PolarHBondContact O-N 3.06Å; L1371-A1375 WeakPolarHBondContact O-CB 3.5Å; L1371-A1375 PolarHBondContact O-N 3.2Å; L1371-Q1495 HydrophobicContact CD1-CB 4.05Å; L1371-Q1495 HydrophobicContact CG-CB 4.03Å; L1371-Q1495 HydrophobicContact CG-CG 4.23Å |
| 1372 | A | 39.1 | Very low | 36.8 | Very low | 52 Ų | 52 | 93.2 Ų | 93.2 | 43% | 0.43 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.9 | -40.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | D1368 R1370 A1375 H1376 | D1368-A1372 PolarHBondContact O-N 3.03Å; R1370-A1372 VanDerWaalsContact C-N 3.27Å; A1372-A1375 PolarHBondContact O-N 2.95Å; A1372-H1376 WeakPolarHBondContact O-CB 3.46Å; A1372-H1376 PolarHBondContact O-N 2.86Å |
| 1373 | D | 41.4 | Very low | 37.5 | Very low | 102 Ų | 102 | 90.9 Ų | 90.9 | 55% | 0.545 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.7 | -40 | 175.8 | -71.1 | -26.1 | 0 | 0 | 0 | 112.5 | K1369 R1370 H1376 T1377 | K1369-D1373 PolarHBondContact O-N 3.15Å; R1370-D1373 PolarHBondContact O-N 3.13Å; D1373-H1376 WeakPolarHBondContact O-CB 3.41Å; D1373-H1376 PolarHBondContact O-N 3.06Å; D1373-T1377 PolarHBondContact O-N 3.29Å; D1373-T1377 PolarHBondContact O-OG1 3.29Å |
| 1374 | I | 44.9 | Very low | 38.1 | Very low | 25 Ų | 25 | 87.4 Ų | 87.4 | 13% | 0.128 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -68.1 | -41.1 | 174.7 | -65.8 | 168.7 | 0 | 0 | 0 | 110.4 | R1370 L1371 H1376 T1377 L1378 Q1495 Y1498 E1499 | R1370-I1374 WeakPolarHBondContact O-CG1 3.48Å; R1370-I1374 PolarHBondContact O-N 3.29Å; L1371-I1374 PolarHBondContact O-N 3.06Å; I1374-H1376 VanDerWaalsContact C-N 3.29Å; I1374-H1376 PolarHBondContact O-N 3.47Å; I1374-T1377 VanDerWaalsContact CA-OG1 3.32Å; I1374-T1377 WeakPolarHBondContact CA-OG1 3.45Å; I1374-T1377 PolarHBondContact O-N 3.16Å; I1374-T1377 PolarHBondContact O-OG1 3.39Å; I1374-T1377 VanDerWaalsContact O-OG1 3.07Å; I1374-L1378 HydrophobicContact CG2-CD1 3.88Å; I1374-L1378 WeakPolarHBondContact O-CB 3.42Å; I1374-L1378 VanDerWaalsContact O-CG 3.3Å; I1374-L1378 WeakPolarHBondContact O-CG 3.39Å; I1374-L1378 PolarHBondContact O-N 3.03Å; I1374-Q1495 HydrophobicContact CD1-CG 4.19Å; I1374-Y1498 HydrophobicContact CG2-CG 4.42Å; I1374-E1499 HydrophobicContact CD1-CB 4.36Å |
| 1375 | A | 42.5 | Very low | 38.7 | Very low | 31 Ų | 31 | 81.8 Ų | 81.8 | 26% | 0.256 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.6 | -36.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1371 A1372 L1378 S1379 L1382 | L1371-A1375 WeakPolarHBondContact O-CB 3.5Å; L1371-A1375 PolarHBondContact O-N 3.2Å; A1372-A1375 PolarHBondContact O-N 2.95Å; A1375-L1378 CarbonylContact O-C 3.55Å; A1375-L1378 PolarHBondContact O-N 3.33Å; A1375-S1379 WeakPolarHBondContact O-CA 3.44Å; A1375-S1379 WeakPolarHBondContact O-CB 3.49Å; A1375-S1379 PolarHBondContact O-N 3.02Å; A1375-L1382 HydrophobicContact CB-CD1 3.61Å |
| 1376 | H | 40.5 | Very low | 39.2 | Very low | 141 Ų | 141 | 80.4 Ų | 80.4 | 65% | 0.653 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -65.6 | -35.7 | 173.5 | -112.7 | -62.4 | 0 | 0 | 0 | 112.5 | A1372 D1373 I1374 S1379 | A1372-H1376 WeakPolarHBondContact O-CB 3.46Å; A1372-H1376 PolarHBondContact O-N 2.86Å; D1373-H1376 WeakPolarHBondContact O-CB 3.41Å; D1373-H1376 PolarHBondContact O-N 3.06Å; I1374-H1376 VanDerWaalsContact C-N 3.29Å; I1374-H1376 PolarHBondContact O-N 3.47Å; H1376-S1379 WeakPolarHBondContact O-CB 3.34Å; H1376-S1379 PolarHBondContact O-N 3.06Å; H1376-S1379 PolarHBondContact O-OG 3.33Å |
| 1377 | T | 38.4 | Very low | 39.7 | Very low | 93 Ų | 93 | 85 Ų | 85 | 57% | 0.571 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -77.2 | -25.3 | 175 | 20 | 0 | 0 | 0 | 0 | 112.7 | D1373 I1374 | D1373-T1377 PolarHBondContact O-N 3.29Å; D1373-T1377 PolarHBondContact O-OG1 3.29Å; I1374-T1377 VanDerWaalsContact CA-OG1 3.32Å; I1374-T1377 WeakPolarHBondContact CA-OG1 3.45Å; I1374-T1377 PolarHBondContact O-N 3.16Å; I1374-T1377 PolarHBondContact O-OG1 3.39Å; I1374-T1377 VanDerWaalsContact O-OG1 3.07Å |
| 1378 | L | 43.3 | Very low | 40.5 | Very low | 17 Ų | 17 | 80.8 Ų | 80.8 | 9% | 0.089 | 44% | 0.441 | C | S | . | . | S | Bend | trans | -87.3 | -1.7 | 172.2 | -65.7 | 167.5 | 0 | 0 | 0 | 113.4 | I1374 A1375 A1380 S1381 I1402 Y1498 V1502 F1534 | I1374-L1378 HydrophobicContact CG2-CD1 3.88Å; I1374-L1378 WeakPolarHBondContact O-CB 3.42Å; I1374-L1378 VanDerWaalsContact O-CG 3.3Å; I1374-L1378 WeakPolarHBondContact O-CG 3.39Å; I1374-L1378 PolarHBondContact O-N 3.03Å; A1375-L1378 CarbonylContact O-C 3.55Å; A1375-L1378 PolarHBondContact O-N 3.33Å; L1378-A1380 PolarHBondContact O-N 3.5Å; L1378-S1381 PolarHBondContact O-N 2.91Å; L1378-S1381 VanDerWaalsContact O-N 3.08Å; L1378-S1381 PolarHBondContact O-OG 3.23Å; L1378-I1402 HydrophobicContact CD2-CD1 4.13Å; L1378-Y1498 HydrophobicContact CD1-CD1 3.78Å; L1378-Y1498 HydrophobicContact CD1-CE1 4.18Å; L1378-Y1498 HydrophobicContact CD1-CG 4.04Å; L1378-V1502 HydrophobicContact CD2-CG2 4.08Å; L1378-V1502 HydrophobicContact CG-CG2 4.48Å; L1378-F1534 HydrophobicContact CD2-CE2 3.99Å; L1378-F1534 HydrophobicContact CD2-CZ 3.89Å |
| 1379 | S | 34.4 | Very low | 41 | Very low | 78 Ų | 78 | 80.2 Ų | 80.2 | 55% | 0.545 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | 13.8 | -160.1 | 64.3 | 0 | 0 | 0 | 0 | 118.7 | A1375 H1376 | A1375-S1379 WeakPolarHBondContact O-CA 3.44Å; A1375-S1379 WeakPolarHBondContact O-CB 3.49Å; A1375-S1379 PolarHBondContact O-N 3.02Å; H1376-S1379 WeakPolarHBondContact O-CB 3.34Å; H1376-S1379 PolarHBondContact O-N 3.06Å; H1376-S1379 PolarHBondContact O-OG 3.33Å |
| 1380 | A | 31.8 | Very low | 41.5 | Very low | 96 Ų | 96 | 75.7 Ų | 75.7 | 79% | 0.793 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -9.8 | 155.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1378 | L1378-A1380 PolarHBondContact O-N 3.5Š|
| 1381 | S | 42.9 | Very low | 42 | Very low | 25 Ų | 25 | 71.1 Ų | 71.1 | 18% | 0.175 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -136.2 | 6.9 | -155.2 | 61 | 0 | 0 | 0 | 0 | 119 | L1378 | L1378-S1381 PolarHBondContact O-N 2.91Å; L1378-S1381 VanDerWaalsContact O-N 3.08Å; L1378-S1381 PolarHBondContact O-OG 3.23Å |
| 1382 | L | 37.9 | Very low | 42.4 | Very low | 105 Ų | 105 | 71 Ų | 71 | 55% | 0.55 | 43% | 0.425 | S | S | . | . | trans | -103.9 | 105 | 170.1 | -80.7 | 158.7 | 0 | 0 | 0 | 109.8 | A1375 | A1375-L1382 HydrophobicContact CB-CD1 3.61Š| ||
| 1383 | V | 41.4 | Very low | 43 | Very low | 47 Ų | 47 | 68.9 Ų | 68.9 | 29% | 0.285 | 41% | 0.407 | S | S | . | . | trans | -95.3 | 121.4 | 178.8 | 176.9 | 0 | 0 | 0 | 0 | 107.9 | M1385 I1388 K1396 | V1383-M1385 PolarHBondContact O-N 3.47Å; V1383-M1385 VanDerWaalsContact O-N 3.15Å; V1383-I1388 HydrophobicContact CG1-CD1 2.99Å; V1383-I1388 HydrophobicContact CG1-CG1 4.44Å; V1383-K1396 HydrophobicContact CG1-CD 4.06Å; V1383-K1396 HydrophobicContact CG2-CB 4.43Å; V1383-K1396 HydrophobicContact CG2-CD 4.2Å | ||
| 1384 | D | 38.5 | Very low | 43.7 | Very low | 80 Ų | 80 | 65.1 Ų | 65.1 | 43% | 0.428 | 39% | 0.385 | S | S | . | . | trans | -65.3 | 113.1 | 170.1 | -151.5 | -27.3 | 0 | 0 | 0 | 109.2 | F1360 S1386 I1388 | F1360-D1384 WeakPolarHBondContact CE1-OD2 3.23Å; F1360-D1384 HydrophobicContact CZ-CB 3.94Å; F1360-D1384 VanDerWaalsContact CZ-OD2 3.28Å; F1360-D1384 WeakPolarHBondContact CZ-OD2 3.23Å; D1384-S1386 PolarHBondContact O-N 3.39Å; D1384-S1386 PolarHBondContact OD1-OG 3.39Å; D1384-I1388 WeakPolarHBondContact O-CD1 3.4Å | ||
| 1385 | M | 41.9 | Very low | 43.9 | Very low | 70 Ų | 70 | 70.5 Ų | 70.5 | 35% | 0.345 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -77.6 | -10.8 | -171.1 | -63.3 | -80.5 | -79.9 | 0 | 0 | 112.2 | V1383 Q1387 L1393 L1405 L1418 | V1383-M1385 PolarHBondContact O-N 3.47Å; V1383-M1385 VanDerWaalsContact O-N 3.15Å; M1385-Q1387 PolarHBondContact O-N 3.1Å; M1385-L1393 HydrophobicContact CE-CD1 3.74Å; M1385-L1393 HydrophobicContact CE-CD2 4.3Å; M1385-L1393 HydrophobicContact SD-CD1 3.39Å; M1385-L1393 WeakPolarHBondContact SD-CD1 3.39Å; M1385-L1405 HydrophobicContact CE-CD2 4.27Å; M1385-L1418 HydrophobicContact CE-CD2 3.39Å |
| 1386 | S | 39.6 | Very low | 44.2 | Very low | 70 Ų | 70 | 74 Ų | 74 | 49% | 0.49 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -71.8 | -23.6 | -172.6 | 55 | 0 | 0 | 0 | 0 | 114.4 | D1384 | D1384-S1386 PolarHBondContact O-N 3.39Å; D1384-S1386 PolarHBondContact OD1-OG 3.39Å |
| 1387 | Q | 42.3 | Very low | 44.7 | Very low | 166 Ų | 166 | 68 Ų | 68 | 78% | 0.776 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -116 | 7.9 | -171.2 | -64.4 | -164.4 | -12.9 | 0 | 0 | 115.3 | M1385 | M1385-Q1387 PolarHBondContact O-N 3.1Š|
| 1388 | I | 47.2 | Very low | 45.4 | Very low | 37 Ų | 37 | 69 Ų | 69 | 19% | 0.19 | 38% | 0.382 | C | S | . | . | trans | -108.3 | 118.5 | -165.6 | -56.8 | -179.1 | 0 | 0 | 0 | 111.5 | V1383 D1384 D1392 L1393 K1396 | V1383-I1388 HydrophobicContact CG1-CD1 2.99Å; V1383-I1388 HydrophobicContact CG1-CG1 4.44Å; D1384-I1388 WeakPolarHBondContact O-CD1 3.4Å; I1388-D1392 HydrophobicContact CG2-CB 3.69Å; I1388-L1393 HydrophobicContact CB-CD1 4.43Å; I1388-L1393 HydrophobicContact CG2-CB 4.13Å; I1388-L1393 HydrophobicContact CG2-CD1 4.36Å; I1388-L1393 VanDerWaalsContact CG2-N 3.29Å; I1388-K1396 HydrophobicContact CD1-CD 4.15Å | ||
| 1389 | A | 50.1 | Low | 45.8 | Very low | 60 Ų | 60 | 75.2 Ų | 75.2 | 50% | 0.496 | 41% | 0.406 | S | S | . | . | trans | -54.2 | 140.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | A1391 D1392 L1393 | A1389-A1391 PolarHBondContact O-N 2.95Å; A1389-D1392 PolarHBondContact O-N 3.38Å; A1389-L1393 PolarHBondContact O-N 3.16Å; A1389-L1393 VanDerWaalsContact O-N 3.15Å | ||
| 1390 | K | 48.9 | Very low | 46.6 | Very low | 81 Ų | 81 | 72.8 Ų | 72.8 | 35% | 0.352 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -48.6 | -31.4 | -176.2 | -149.6 | -176.4 | -171.4 | -170.2 | 0 | 113.1 | F1394 A1428 E1433 | K1390-F1394 HydrophobicContact CG-CE2 4.35Å; K1390-F1394 WeakPolarHBondContact O-CD2 3.4Å; K1390-A1428 PolarHBondContact NZ-O 3.3Å; K1390-E1433 VanDerWaalsContact NZ-CD 3.3Å; K1390-E1433 IonicContact NZ-OE1 2.9Å; K1390-E1433 PolarHBondContact NZ-OE1 3.28Å; K1390-E1433 IonicContact NZ-OE2 3.9Å; K1390-E1433 PolarHBondContact NZ-OE2 3.2Å; K1390-E1433 VanDerWaalsContact NZ-OE2 3.12Å |
| 1391 | A | 50.3 | Low | 48 | Very low | 74 Ų | 74 | 74.9 Ų | 74.9 | 61% | 0.612 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -72.2 | -35.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | A1389 | A1389-A1391 PolarHBondContact O-N 2.95Å |
| 1392 | D | 53.8 | Low | 48.9 | Very low | 41 Ų | 41 | 74.3 Ų | 74.3 | 22% | 0.219 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -83.7 | -26.1 | -179.6 | -72.8 | -37.6 | 0 | 0 | 0 | 112.5 | I1388 A1389 F1394 R1395 K1396 | I1388-D1392 HydrophobicContact CG2-CB 3.69Å; A1389-D1392 PolarHBondContact O-N 3.38Å; D1392-F1394 PolarHBondContact O-N 3.34Å; D1392-R1395 WeakPolarHBondContact O-CB 3.36Å; D1392-R1395 PolarHBondContact O-N 2.98Å; D1392-R1395 VanDerWaalsContact O-N 3.16Å; D1392-R1395 IonicContact OD1-NH1 2.71Å; D1392-R1395 PolarHBondContact OD1-NH1 3.11Å; D1392-K1396 PolarHBondContact O-N 3.44Å |
| 1393 | L | 50.4 | Low | 50.2 | Low | 8 Ų | 8 | 69.6 Ų | 69.6 | 4% | 0.042 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -52.3 | -56.9 | 174.3 | -166.6 | 77.8 | 0 | 0 | 0 | 110.4 | M1385 I1388 A1389 R1395 K1396 L1397 L1418 L1429 | M1385-L1393 HydrophobicContact CE-CD1 3.74Å; M1385-L1393 HydrophobicContact CE-CD2 4.3Å; M1385-L1393 HydrophobicContact SD-CD1 3.39Å; M1385-L1393 WeakPolarHBondContact SD-CD1 3.39Å; I1388-L1393 HydrophobicContact CB-CD1 4.43Å; I1388-L1393 HydrophobicContact CG2-CB 4.13Å; I1388-L1393 HydrophobicContact CG2-CD1 4.36Å; I1388-L1393 VanDerWaalsContact CG2-N 3.29Å; A1389-L1393 PolarHBondContact O-N 3.16Å; A1389-L1393 VanDerWaalsContact O-N 3.15Å; L1393-R1395 VanDerWaalsContact C-N 3.27Å; L1393-R1395 PolarHBondContact O-N 3.49Å; L1393-K1396 PolarHBondContact O-N 3.41Å; L1393-L1397 HydrophobicContact CD2-CD1 4.31Å; L1393-L1397 HydrophobicContact CG-CD1 4Å; L1393-L1397 WeakPolarHBondContact O-CG 3.46Å; L1393-L1397 PolarHBondContact O-N 2.84Å; L1393-L1418 HydrophobicContact CD2-CD1 4.14Å; L1393-L1429 HydrophobicContact CD2-CD1 4.48Å |
| 1394 | F | 55.8 | Low | 51.5 | Low | 23 Ų | 23 | 70.2 Ų | 70.2 | 10% | 0.101 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.7 | -29.2 | -179.7 | -65.4 | -71.8 | 0 | 0 | 0 | 113.7 | K1390 D1392 K1396 L1397 K1398 L1429 K1437 | K1390-F1394 HydrophobicContact CG-CE2 4.35Å; K1390-F1394 WeakPolarHBondContact O-CD2 3.4Å; D1392-F1394 PolarHBondContact O-N 3.34Å; F1394-K1396 VanDerWaalsContact C-N 3.33Å; F1394-L1397 HydrophobicContact CD1-CD1 4.17Å; F1394-L1397 PolarHBondContact O-N 3.09Å; F1394-K1398 PolarHBondContact O-N 3.46Å; F1394-L1429 HydrophobicContact CE1-CD2 3.69Å; F1394-L1429 HydrophobicContact CE2-CD2 4.36Å; F1394-L1429 HydrophobicContact CZ-CD2 3.3Å; F1394-K1437 HydrophobicContact CB-CD 4.24Å; F1394-K1437 HydrophobicContact CB-CG 4.4Å; F1394-K1437 HydrophobicContact CD1-CB 3.86Å; F1394-K1437 HydrophobicContact CD1-CG 3.88Å; F1394-K1437 HydrophobicContact CD2-CD 4.43Å; F1394-K1437 HydrophobicContact CD2-CG 4.34Å; F1394-K1437 HydrophobicContact CE1-CB 4.29Å; F1394-K1437 HydrophobicContact CE1-CG 4.11Å; F1394-K1437 HydrophobicContact CG-CB 4.28Å; F1394-K1437 HydrophobicContact CG-CD 4.2Å; F1394-K1437 HydrophobicContact CG-CG 3.97Å; F1394-K1437 HydrophobicContact CZ-CG 4.41Å |
| 1395 | R | 49.4 | Very low | 52.7 | Low | 138 Ų | 138 | 67.4 Ų | 67.4 | 52% | 0.521 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -70.1 | -30.7 | 178.3 | -125.8 | -174.4 | -137 | 160.5 | -4 | 112.2 | D1392 L1393 | D1392-R1395 WeakPolarHBondContact O-CB 3.36Å; D1392-R1395 PolarHBondContact O-N 2.98Å; D1392-R1395 VanDerWaalsContact O-N 3.16Å; D1392-R1395 IonicContact OD1-NH1 2.71Å; D1392-R1395 PolarHBondContact OD1-NH1 3.11Å; L1393-R1395 VanDerWaalsContact C-N 3.27Å; L1393-R1395 PolarHBondContact O-N 3.49Å |
| 1396 | K | 48.6 | Very low | 53.7 | Low | 104 Ų | 104 | 70.9 Ų | 70.9 | 45% | 0.452 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -83 | -34.7 | 172.9 | -70.7 | -173.6 | -179 | -180 | 0 | 112 | V1383 I1388 D1392 L1393 F1394 K1398 | V1383-K1396 HydrophobicContact CG1-CD 4.06Å; V1383-K1396 HydrophobicContact CG2-CB 4.43Å; V1383-K1396 HydrophobicContact CG2-CD 4.2Å; I1388-K1396 HydrophobicContact CD1-CD 4.15Å; D1392-K1396 PolarHBondContact O-N 3.44Å; L1393-K1396 PolarHBondContact O-N 3.41Å; F1394-K1396 VanDerWaalsContact C-N 3.33Å; K1396-K1398 VanDerWaalsContact C-N 3.29Å; K1396-K1398 PolarHBondContact O-N 3.44Å |
| 1397 | L | 52.3 | Low | 54.9 | Low | 15 Ų | 15 | 68 Ų | 68 | 8% | 0.079 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.8 | -27.3 | 178.8 | -68.4 | 169.6 | 0 | 0 | 0 | 114 | L1393 F1394 Y1399 L1403 L1405 | L1393-L1397 HydrophobicContact CD2-CD1 4.31Å; L1393-L1397 HydrophobicContact CG-CD1 4Å; L1393-L1397 WeakPolarHBondContact O-CG 3.46Å; L1393-L1397 PolarHBondContact O-N 2.84Å; F1394-L1397 HydrophobicContact CD1-CD1 4.17Å; F1394-L1397 PolarHBondContact O-N 3.09Å; L1397-Y1399 VanDerWaalsContact C-N 3.34Å; L1397-Y1399 PolarHBondContact O-N 3.22Å; L1397-L1403 HydrophobicContact CB-CD1 4.11Å; L1397-L1403 HydrophobicContact CD2-CD1 3.6Å; L1397-L1403 HydrophobicContact CD2-CD2 3.36Å; L1397-L1403 HydrophobicContact CD2-CG 3.92Å; L1397-L1403 HydrophobicContact CG-CD1 4.48Å; L1397-L1403 VanDerWaalsContact O-CD1 3.28Å; L1397-L1403 WeakPolarHBondContact O-CD1 3.37Å; L1397-L1405 HydrophobicContact CD2-CD2 3.98Å |
| 1398 | K | 51.8 | Low | 55.9 | Low | 113 Ų | 113 | 61 Ų | 61 | 49% | 0.491 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -22.9 | -171.5 | -149.2 | 178.1 | -173.7 | -176.5 | 0 | 115.2 | F1394 K1396 | F1394-K1398 PolarHBondContact O-N 3.46Å; K1396-K1398 VanDerWaalsContact C-N 3.29Å; K1396-K1398 PolarHBondContact O-N 3.44Å |
| 1399 | Y | 51.7 | Low | 56.8 | Low | 148 Ų | 148 | 61.2 Ų | 61.2 | 58% | 0.58 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.4 | -0.9 | -170.3 | -64 | -80.6 | 0 | 0 | 0 | 114.2 | L1397 | L1397-Y1399 VanDerWaalsContact C-N 3.34Å; L1397-Y1399 PolarHBondContact O-N 3.22Å |
| 1400 | N | 52.3 | Low | 57.4 | Low | 28 Ų | 28 | 59.3 Ų | 59.3 | 15% | 0.15 | 27% | 0.271 | C | S | . | . | trans | -89 | 121.1 | -173.2 | -72 | -6.7 | 0 | 0 | 0 | 111.3 | L1403 A1441 | N1400-L1403 HydrophobicContact CB-CD1 4.07Å; N1400-L1403 HydrophobicContact CB-CG 4.29Å; N1400-A1441 WeakPolarHBondContact O-CA 3.31Å | ||
| 1401 | R | 60.5 | Low | 57.9 | Low | 139 Ų | 139 | 57.9 Ų | 57.9 | 53% | 0.525 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -63.7 | -41.4 | 174.6 | -80.1 | -174.6 | 176.2 | -172.2 | -3.5 | 111.9 | S1442 L1443 N1535 | R1401-S1442 VanDerWaalsContact C-OG 3.29Å; R1401-S1442 CarbonylContact O-C 3.49Å; R1401-S1442 WeakPolarHBondContact O-CA 3.29Å; R1401-S1442 WeakPolarHBondContact O-CB 3.41Å; R1401-S1442 PolarHBondContact O-N 3.17Å; R1401-S1442 PolarHBondContact O-OG 3.31Å; R1401-L1443 PolarHBondContact O-N 2.93Å; R1401-N1535 PolarHBondContact NH1-O 3.32Å |
| 1402 | I | 62.7 | Low | 58.3 | Low | 13 Ų | 13 | 58.8 Ų | 58.8 | 7% | 0.067 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 136 | 173.1 | -54.9 | 167.2 | 0 | 0 | 0 | 107.6 | L1378 L1443 Y1498 F1501 F1534 | L1378-I1402 HydrophobicContact CD2-CD1 4.13Å; I1402-L1443 CarbonylContact C-O 3.6Å; I1402-L1443 VanDerWaalsContact CA-O 3.29Å; I1402-L1443 WeakPolarHBondContact CA-O 3.27Å; I1402-L1443 HydrophobicContact CG1-CB 4.34Å; I1402-L1443 HydrophobicContact CG2-CB 4.36Å; I1402-L1443 HydrophobicContact CG2-CD2 4.23Å; I1402-L1443 HydrophobicContact CG2-CG 4.47Å; I1402-Y1498 HydrophobicContact CG2-CE1 4.44Å; I1402-F1501 HydrophobicContact CD1-CD1 4.23Å; I1402-F1501 HydrophobicContact CD1-CE1 3.6Å; I1402-F1501 HydrophobicContact CG1-CE1 4.23Å; I1402-F1534 HydrophobicContact CD1-CD2 3.46Å; I1402-F1534 VanDerWaalsContact CD1-CD2 3.46Å; I1402-F1534 HydrophobicContact CD1-CE2 3.43Å; I1402-F1534 VanDerWaalsContact CD1-CE2 3.43Å |
| 1403 | L | 65.1 | Low | 58.6 | Low | 6 Ų | 6 | 61.6 Ų | 61.6 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 118 | -174.9 | -145 | 157.8 | 0 | 0 | 0 | 108.9 | L1397 N1400 L1405 I1439 A1441 L1443 L1444 T1445 | L1397-L1403 HydrophobicContact CB-CD1 4.11Å; L1397-L1403 HydrophobicContact CD2-CD1 3.6Å; L1397-L1403 HydrophobicContact CD2-CD2 3.36Å; L1397-L1403 HydrophobicContact CD2-CG 3.92Å; L1397-L1403 HydrophobicContact CG-CD1 4.48Å; L1397-L1403 VanDerWaalsContact O-CD1 3.28Å; L1397-L1403 WeakPolarHBondContact O-CD1 3.37Å; N1400-L1403 HydrophobicContact CB-CD1 4.07Å; N1400-L1403 HydrophobicContact CB-CG 4.29Å; L1403-L1405 HydrophobicContact CD2-CD1 3.99Å; L1403-L1405 HydrophobicContact CD2-CD2 3.39Å; L1403-L1405 HydrophobicContact CD2-CG 3.42Å; L1403-L1405 VanDerWaalsContact CD2-CG 3.42Å; L1403-I1439 HydrophobicContact CD1-CG2 4.23Å; L1403-A1441 HydrophobicContact CB-CB 3.88Å; L1403-A1441 HydrophobicContact CD1-CB 4.22Å; L1403-L1443 PolarHBondContact N-O 3.1Å; L1403-L1444 HydrophobicContact CB-CD1 3.84Å; L1403-L1444 HydrophobicContact CD2-CD1 3.96Å; L1403-L1444 HydrophobicContact CG-CD1 4.4Å; L1403-L1444 CarbonylContact O-C 3.54Å; L1403-L1444 WeakPolarHBondContact O-CA 3.15Å; L1403-T1445 PolarHBondContact O-N 3.49Å; L1403-T1445 PolarHBondContact O-OG1 2.9Å |
| 1404 | H | 67.6 | Low | 59.3 | Low | 61 Ų | 61 | 68.6 Ų | 68.6 | 28% | 0.282 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 116.2 | 176 | -162.7 | 122.7 | 0 | 0 | 0 | 109.9 | T1445 F1494 Y1498 | H1404-T1445 CarbonylContact C-O 3.35Å; H1404-T1445 WeakPolarHBondContact CA-O 3.46Å; H1404-T1445 WeakPolarHBondContact CA-OG1 3.4Å; H1404-T1445 WeakPolarHBondContact CB-OG1 3.43Å; H1404-T1445 PolarHBondContact ND1-OG1 3Å; H1404-F1494 AromaticContact CE1-CD1 3.67Å; H1404-F1494 AromaticContact CE1-CE1 3.34Å; H1404-F1494 WeakPolarHBondContact CE1-CE1 3.41Å; H1404-F1494 AromaticContact CE1-CE2 3.77Å; H1404-F1494 AromaticContact CE1-CZ 3.39Å; H1404-F1494 WeakPolarHBondContact CE1-CZ 3.32Å; H1404-F1494 AromaticContact NE2-CZ 3.88Å; H1404-Y1498 AromaticContact ND1-CE2 3.98Å; H1404-Y1498 AromaticContact ND1-CZ 3.84Å; H1404-Y1498 PolarHBondContact ND1-OH 3.36Å |
| 1405 | L | 64.5 | Low | 59.8 | Low | 20 Ų | 20 | 67.5 Ų | 67.5 | 11% | 0.105 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 124.9 | 179.5 | -64.7 | -179.9 | 0 | 0 | 0 | 110.4 | M1385 L1397 L1403 L1407 L1444 T1445 V1446 H1447 | M1385-L1405 HydrophobicContact CE-CD2 4.27Å; L1397-L1405 HydrophobicContact CD2-CD2 3.98Å; L1403-L1405 HydrophobicContact CD2-CD1 3.99Å; L1403-L1405 HydrophobicContact CD2-CD2 3.39Å; L1403-L1405 HydrophobicContact CD2-CG 3.42Å; L1403-L1405 VanDerWaalsContact CD2-CG 3.42Å; L1405-L1407 HydrophobicContact CB-CD1 4.17Å; L1405-L1407 HydrophobicContact CB-CG 4.09Å; L1405-L1407 HydrophobicContact CD1-CD1 4.24Å; L1405-L1444 HydrophobicContact CD1-CD1 3.85Å; L1405-L1444 HydrophobicContact CG-CD1 4.13Å; L1405-T1445 PolarHBondContact N-O 3.05Å; L1405-V1446 CarbonylContact O-C 3.56Å; L1405-V1446 WeakPolarHBondContact O-CA 3.01Å; L1405-H1447 PolarHBondContact O-N 3.36Å |
| 1406 | K | 63.6 | Low | 60.6 | Low | 144 Ų | 144 | 61.1 Ų | 61.1 | 63% | 0.626 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 113.6 | 166.8 | -171.7 | 169.4 | -176 | -179.8 | 0 | 109 | H1447 | K1406-H1447 HydrophobicContact CB-CB 4.42Å; K1406-H1447 WeakPolarHBondContact CE-ND1 3.35Å; K1406-H1447 HydrophobicContact CG-CB 4.3Å |
| 1407 | L | 64.1 | Low | 61.2 | Low | 10 Ų | 10 | 57.1 Ų | 57.1 | 5% | 0.052 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 138.8 | -173.1 | -61.3 | 174.1 | 0 | 0 | 0 | 110.6 | L1405 F1416 L1418 V1446 H1447 A1448 Q1449 | L1405-L1407 HydrophobicContact CB-CD1 4.17Å; L1405-L1407 HydrophobicContact CB-CG 4.09Å; L1405-L1407 HydrophobicContact CD1-CD1 4.24Å; L1407-F1416 HydrophobicContact CB-CB 4.09Å; L1407-F1416 HydrophobicContact CB-CD1 3.56Å; L1407-F1416 HydrophobicContact CB-CE1 4.31Å; L1407-F1416 HydrophobicContact CB-CG 4.09Å; L1407-F1416 HydrophobicContact CD1-CB 4.03Å; L1407-F1416 HydrophobicContact CD1-CD1 3.83Å; L1407-F1416 HydrophobicContact CD1-CD2 4.24Å; L1407-F1416 HydrophobicContact CD1-CE1 4.31Å; L1407-F1416 HydrophobicContact CD1-CG 3.77Å; L1407-F1416 HydrophobicContact CD2-CB 4.19Å; L1407-F1416 HydrophobicContact CG-CB 4.33Å; L1407-F1416 HydrophobicContact CG-CD1 4.29Å; L1407-F1416 HydrophobicContact CG-CG 4.42Å; L1407-L1418 HydrophobicContact CD2-CD2 3.89Å; L1407-V1446 HydrophobicContact CD1-CG1 4.19Å; L1407-H1447 PolarHBondContact N-O 2.91Å; L1407-A1448 WeakPolarHBondContact O-CA 3.4Å; L1407-Q1449 PolarHBondContact O-N 2.94Å |
| 1408 | T | 63.1 | Low | 61.6 | Low | 18 Ų | 18 | 57.6 Ų | 57.6 | 11% | 0.11 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 125.1 | 170.4 | 32.1 | 0 | 0 | 0 | 0 | 109.7 | S1410 F1416 L1417 H1419 Q1449 | T1408-S1410 PolarHBondContact O-N 2.95Å; T1408-F1416 WeakPolarHBondContact O-CA 3.08Å; T1408-L1417 PolarHBondContact N-O 2.98Å; T1408-L1417 PolarHBondContact O-N 3.13Å; T1408-L1417 WeakPolarHBondContact OG1-CB 3.43Å; T1408-L1417 PolarHBondContact OG1-O 3.35Å; T1408-L1417 VanDerWaalsContact OG1-O 3.14Å; T1408-H1419 WeakPolarHBondContact CG2-NE2 3.49Å; T1408-H1419 PolarHBondContact OG1-CD2 3.44Å; T1408-H1419 PolarHBondContact OG1-NE2 3.31Å; T1408-Q1449 HydrophobicContact CG2-CB 3.85Å; T1408-Q1449 HydrophobicContact CG2-CG 4.36Å |
| 1409 | W | 65.8 | Low | 61.6 | Low | 42 Ų | 42 | 58.5 Ų | 58.5 | 16% | 0.159 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 117.5 | 178 | 176.5 | -101.3 | 0 | 0 | 0 | 110.3 | F1416 L1431 Q1449 F1450 | W1409-F1416 HydrophobicContact CB-CD1 4.49Å; W1409-F1416 HydrophobicContact CB-CE1 4.4Å; W1409-F1416 AromaticContact CE3-CD1 3.88Å; W1409-F1416 HydrophobicContact CE3-CD1 3.88Å; W1409-F1416 HydrophobicContact CE3-CD2 4.23Å; W1409-F1416 AromaticContact CE3-CE1 3.67Å; W1409-F1416 HydrophobicContact CE3-CE1 3.67Å; W1409-F1416 HydrophobicContact CE3-CE2 4.02Å; W1409-F1416 HydrophobicContact CE3-CG 4.18Å; W1409-F1416 AromaticContact CE3-CZ 3.74Å; W1409-F1416 HydrophobicContact CE3-CZ 3.74Å; W1409-F1416 HydrophobicContact CZ3-CD2 4.23Å; W1409-F1416 HydrophobicContact CZ3-CE1 4.42Å; W1409-F1416 AromaticContact CZ3-CE2 3.95Å; W1409-F1416 HydrophobicContact CZ3-CE2 3.95Å; W1409-F1416 HydrophobicContact CZ3-CZ 4.06Å; W1409-L1431 HydrophobicContact CH2-CD1 4.05Å; W1409-L1431 HydrophobicContact CZ3-CD1 4.34Å; W1409-Q1449 PolarHBondContact N-O 3.31Å; W1409-F1450 HydrophobicContact CB-CD1 4.26Å; W1409-F1450 HydrophobicContact CB-CE1 4.37Å; W1409-F1450 HydrophobicContact CG-CD1 4.41Å; W1409-F1450 HydrophobicContact CG-CE1 4.43Å |
| 1410 | S | 62.9 | Low | 61.3 | Low | 20 Ų | 20 | 53.5 Ų | 53.5 | 14% | 0.14 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 108.8 | 171.3 | -177.6 | 0 | 0 | 0 | 0 | 110.2 | T1408 A1412 K1413 K1414 A1415 | T1408-S1410 PolarHBondContact O-N 2.95Å; S1410-A1412 PolarHBondContact O-N 3.08Å; S1410-K1413 PolarHBondContact O-N 3.39Å; S1410-K1413 PolarHBondContact OG-N 3.42Å; S1410-K1414 PolarHBondContact O-N 3.13Å; S1410-A1415 PolarHBondContact N-O 3.37Å; S1410-A1415 VanDerWaalsContact N-O 3.11Å |
| 1411 | S | 60.4 | Low | 60.7 | Low | 51 Ų | 51 | 61.7 Ų | 61.7 | 36% | 0.357 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -38.2 | 172.3 | 57 | 0 | 0 | 0 | 0 | 111.6 | ||
| 1412 | A | 58.8 | Low | 59.7 | Low | 92 Ų | 92 | 61.6 Ų | 61.6 | 76% | 0.76 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -39.2 | 180 | 0 | 0 | 0 | 0 | 0 | 113.5 | S1410 | S1410-A1412 PolarHBondContact O-N 3.08Š|
| 1413 | K | 59.8 | Low | 58.4 | Low | 100 Ų | 100 | 65.5 Ų | 65.5 | 44% | 0.435 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -7.4 | -178.9 | -67.3 | -177.4 | 178.4 | 177 | 0 | 113.8 | S1410 A1415 L1417 E1426 A1428 | S1410-K1413 PolarHBondContact O-N 3.39Å; S1410-K1413 PolarHBondContact OG-N 3.42Å; K1413-A1415 HydrophobicContact CB-CB 4.02Å; K1413-A1415 PolarHBondContact O-N 3.12Å; K1413-A1415 VanDerWaalsContact O-N 3.13Å; K1413-L1417 HydrophobicContact CD-CD2 4.07Å; K1413-E1426 IonicContact NZ-OE2 3.33Å; K1413-E1426 PolarHBondContact NZ-OE2 2.67Å; K1413-A1428 HydrophobicContact CD-CB 4.42Å |
| 1414 | K | 65.2 | Low | 56.9 | Low | 156 Ų | 156 | 68.2 Ų | 68.2 | 68% | 0.678 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.4 | 38.7 | -168.9 | -64.7 | -176.1 | 177.7 | 179.8 | 0 | 112 | S1410 | S1410-K1414 PolarHBondContact O-N 3.13Š|
| 1415 | A | 65.2 | Low | 55.6 | Low | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 151.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | S1410 K1413 A1428 L1429 T1430 | S1410-A1415 PolarHBondContact N-O 3.37Å; S1410-A1415 VanDerWaalsContact N-O 3.11Å; K1413-A1415 HydrophobicContact CB-CB 4.02Å; K1413-A1415 PolarHBondContact O-N 3.12Å; K1413-A1415 VanDerWaalsContact O-N 3.13Å; A1415-A1428 HydrophobicContact CB-CB 3.92Å; A1415-L1429 WeakPolarHBondContact CA-O 3.23Å; A1415-L1429 WeakPolarHBondContact CB-O 3.49Å; A1415-T1430 HydrophobicContact CB-CG2 4.3Å |
| 1416 | F | 66.6 | Low | 54.9 | Low | 3 Ų | 3 | 75.6 Ų | 75.6 | 1% | 0.013 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 128.6 | 168.2 | -68.9 | -76.7 | 0 | 0 | 0 | 108.7 | L1407 T1408 W1409 L1429 L1431 I1434 I1465 | L1407-F1416 HydrophobicContact CB-CB 4.09Å; L1407-F1416 HydrophobicContact CB-CD1 3.56Å; L1407-F1416 HydrophobicContact CB-CE1 4.31Å; L1407-F1416 HydrophobicContact CB-CG 4.09Å; L1407-F1416 HydrophobicContact CD1-CB 4.03Å; L1407-F1416 HydrophobicContact CD1-CD1 3.83Å; L1407-F1416 HydrophobicContact CD1-CD2 4.24Å; L1407-F1416 HydrophobicContact CD1-CE1 4.31Å; L1407-F1416 HydrophobicContact CD1-CG 3.77Å; L1407-F1416 HydrophobicContact CD2-CB 4.19Å; L1407-F1416 HydrophobicContact CG-CB 4.33Å; L1407-F1416 HydrophobicContact CG-CD1 4.29Å; L1407-F1416 HydrophobicContact CG-CG 4.42Å; T1408-F1416 WeakPolarHBondContact O-CA 3.08Å; W1409-F1416 HydrophobicContact CB-CD1 4.49Å; W1409-F1416 HydrophobicContact CB-CE1 4.4Å; W1409-F1416 AromaticContact CE3-CD1 3.88Å; W1409-F1416 HydrophobicContact CE3-CD1 3.88Å; W1409-F1416 HydrophobicContact CE3-CD2 4.23Å; W1409-F1416 AromaticContact CE3-CE1 3.67Å; W1409-F1416 HydrophobicContact CE3-CE1 3.67Å; W1409-F1416 HydrophobicContact CE3-CE2 4.02Å; W1409-F1416 HydrophobicContact CE3-CG 4.18Å; W1409-F1416 AromaticContact CE3-CZ 3.74Å; W1409-F1416 HydrophobicContact CE3-CZ 3.74Å; W1409-F1416 HydrophobicContact CZ3-CD2 4.23Å; W1409-F1416 HydrophobicContact CZ3-CE1 4.42Å; W1409-F1416 AromaticContact CZ3-CE2 3.95Å; W1409-F1416 HydrophobicContact CZ3-CE2 3.95Å; W1409-F1416 HydrophobicContact CZ3-CZ 4.06Å; F1416-L1429 HydrophobicContact CB-CB 4.26Å; F1416-L1429 PolarHBondContact N-O 3.08Å; F1416-L1429 PolarHBondContact O-N 2.96Å; F1416-L1431 HydrophobicContact CE2-CD2 4.31Å; F1416-I1434 HydrophobicContact CD2-CD1 4.16Å; F1416-I1465 HydrophobicContact CZ-CD1 4.15Å; F1416-I1465 HydrophobicContact CZ-CG1 4.42Å; F1416-I1465 HydrophobicContact CZ-CG2 4.05Å |
| 1417 | L | 62.2 | Low | 54.5 | Low | 20 Ų | 20 | 70.8 Ų | 70.8 | 11% | 0.105 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 130.5 | 171.6 | -70.4 | 173 | 0 | 0 | 0 | 108.6 | T1408 K1413 E1426 | T1408-L1417 PolarHBondContact N-O 2.98Å; T1408-L1417 PolarHBondContact O-N 3.13Å; T1408-L1417 WeakPolarHBondContact OG1-CB 3.43Å; T1408-L1417 PolarHBondContact OG1-O 3.35Å; T1408-L1417 VanDerWaalsContact OG1-O 3.14Å; K1413-L1417 HydrophobicContact CD-CD2 4.07Å; L1417-E1426 HydrophobicContact CD2-CB 4.4Å |
| 1418 | L | 59.4 | Low | 54.5 | Low | 25 Ų | 25 | 71.6 Ų | 71.6 | 13% | 0.131 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 115.4 | 166.5 | -73.1 | 163.2 | 0 | 0 | 0 | 107.6 | M1385 L1393 L1407 S1427 L1429 | M1385-L1418 HydrophobicContact CE-CD2 3.39Å; L1393-L1418 HydrophobicContact CD2-CD1 4.14Å; L1407-L1418 HydrophobicContact CD2-CD2 3.89Å; L1418-S1427 WeakPolarHBondContact CD1-OG 3.26Å; L1418-S1427 PolarHBondContact N-O 2.79Å; L1418-L1429 HydrophobicContact CD1-CD1 3.52Å; L1418-L1429 HydrophobicContact CD1-CG 4.12Å; L1418-L1429 HydrophobicContact CD2-CD1 4.1Å; L1418-L1429 HydrophobicContact CG-CD1 3.81Å |
| 1419 | H | 51.1 | Low | 54.5 | Low | 132 Ų | 132 | 71.2 Ų | 71.2 | 61% | 0.611 | 42% | 0.42 | S | S | * | . | trans | -83.5 | 116.2 | 171.1 | -75.9 | -48.9 | 0 | 0 | 0 | 109.7 | T1408 | T1408-H1419 WeakPolarHBondContact CG2-NE2 3.49Å; T1408-H1419 PolarHBondContact OG1-CD2 3.44Å; T1408-H1419 PolarHBondContact OG1-NE2 3.31Å | ||
| 1420 | S | 46.4 | Very low | 54.6 | Low | 43 Ų | 43 | 72 Ų | 72 | 30% | 0.301 | 43% | 0.429 | S | S | . | . | trans | -82.9 | 137.7 | 152.9 | 60 | 0 | 0 | 0 | 0 | 108.1 | D1422 | S1420-D1422 PolarHBondContact O-N 2.98Å; S1420-D1422 PolarHBondContact OG-O 3.4Å | ||
| 1421 | E | 40.6 | Very low | 54.7 | Low | 201 Ų | 201 | 72.9 Ų | 72.9 | 94% | 0.939 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -62.9 | -22.2 | 174.9 | -68.2 | -169.6 | 155.9 | 0 | 0 | 112 | ||
| 1422 | D | 37.8 | Very low | 55 | Low | 137 Ų | 137 | 72.5 Ų | 72.5 | 73% | 0.733 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -89 | 110.9 | 172 | -60.5 | -38.1 | 0 | 0 | 0 | 109.8 | S1420 G1424 | S1420-D1422 PolarHBondContact O-N 2.98Å; S1420-D1422 PolarHBondContact OG-O 3.4Å; D1422-G1424 PolarHBondContact O-N 3.14Å |
| 1423 | G | 35.7 | Very low | 55.3 | Low | 94 Ų | 94 | 70.8 Ų | 70.8 | 97% | 0.969 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | 55.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 1424 | G | 33.7 | Very low | 55.4 | Low | 63 Ų | 63 | 66.6 Ų | 66.6 | 65% | 0.649 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.5 | -28.4 | -168.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | D1422 | D1422-G1424 PolarHBondContact O-N 3.14Š|
| 1425 | T | 40.8 | Very low | 55.1 | Low | 111 Ų | 111 | 60.9 Ų | 60.9 | 68% | 0.681 | 38% | 0.377 | S | S | * | . | trans | -152.5 | 97.9 | -177.3 | 43.9 | 0 | 0 | 0 | 0 | 113.4 | S1427 | T1425-S1427 PolarHBondContact O-N 3.42Š| ||
| 1426 | E | 48.7 | Very low | 55 | Low | 126 Ų | 126 | 68.8 Ų | 68.8 | 59% | 0.589 | 41% | 0.414 | S | S | * | . | trans | -68.4 | 97.9 | 169.4 | -72.4 | -173.8 | 173.1 | 0 | 0 | 110.7 | K1413 L1417 A1428 | K1413-E1426 IonicContact NZ-OE2 3.33Å; K1413-E1426 PolarHBondContact NZ-OE2 2.67Å; L1417-E1426 HydrophobicContact CD2-CB 4.4Å; E1426-A1428 PolarHBondContact O-N 3.38Å | ||
| 1427 | S | 56.6 | Low | 54.6 | Low | 43 Ų | 43 | 73.8 Ų | 73.8 | 30% | 0.301 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 110.9 | 168.8 | 59.5 | 0 | 0 | 0 | 0 | 109.9 | L1418 T1425 | L1418-S1427 WeakPolarHBondContact CD1-OG 3.26Å; L1418-S1427 PolarHBondContact N-O 2.79Å; T1425-S1427 PolarHBondContact O-N 3.42Å |
| 1428 | A | 62.6 | Low | 54.5 | Low | 26 Ų | 26 | 74 Ų | 74 | 22% | 0.215 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 127.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | K1390 K1413 A1415 E1426 | K1390-A1428 PolarHBondContact NZ-O 3.3Å; K1413-A1428 HydrophobicContact CD-CB 4.42Å; A1415-A1428 HydrophobicContact CB-CB 3.92Å; E1426-A1428 PolarHBondContact O-N 3.38Å |
| 1429 | L | 64.9 | Low | 54.7 | Low | 10 Ų | 10 | 73.4 Ų | 73.4 | 5% | 0.052 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 101.7 | 167.9 | -96.4 | 160.1 | 0 | 0 | 0 | 108.2 | L1393 F1394 A1415 F1416 L1418 I1434 | L1393-L1429 HydrophobicContact CD2-CD1 4.48Å; F1394-L1429 HydrophobicContact CE1-CD2 3.69Å; F1394-L1429 HydrophobicContact CE2-CD2 4.36Å; F1394-L1429 HydrophobicContact CZ-CD2 3.3Å; A1415-L1429 WeakPolarHBondContact CA-O 3.23Å; A1415-L1429 WeakPolarHBondContact CB-O 3.49Å; F1416-L1429 HydrophobicContact CB-CB 4.26Å; F1416-L1429 PolarHBondContact N-O 3.08Å; F1416-L1429 PolarHBondContact O-N 2.96Å; L1418-L1429 HydrophobicContact CD1-CD1 3.52Å; L1418-L1429 HydrophobicContact CD1-CG 4.12Å; L1418-L1429 HydrophobicContact CD2-CD1 4.1Å; L1418-L1429 HydrophobicContact CG-CD1 3.81Å; L1429-I1434 HydrophobicContact CD2-CG1 4Å |
| 1430 | T | 67.8 | Low | 55.2 | Low | 58 Ų | 58 | 71 Ų | 71 | 36% | 0.356 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 150.3 | 175.1 | 62.8 | 0 | 0 | 0 | 0 | 110.4 | A1415 G1432 E1433 I1434 | A1415-T1430 HydrophobicContact CB-CG2 4.3Å; T1430-G1432 PolarHBondContact O-N 3.46Å; T1430-E1433 PolarHBondContact N-OE2 3.34Å; T1430-E1433 PolarHBondContact O-N 2.77Å; T1430-E1433 VanDerWaalsContact OG1-CG 3.26Å; T1430-E1433 WeakPolarHBondContact OG1-CG 3.41Å; T1430-E1433 PolarHBondContact OG1-N 2.92Å; T1430-E1433 PolarHBondContact OG1-OE2 3.31Å; T1430-I1434 PolarHBondContact O-N 3.14Å; T1430-I1434 VanDerWaalsContact O-N 3.16Å |
| 1431 | L | 64.7 | Low | 56 | Low | 40 Ų | 40 | 69 Ų | 69 | 21% | 0.209 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -57.4 | -30.5 | 175.4 | -75.1 | 158.1 | 0 | 0 | 0 | 112.4 | W1409 F1416 I1434 A1435 M1468 | W1409-L1431 HydrophobicContact CH2-CD1 4.05Å; W1409-L1431 HydrophobicContact CZ3-CD1 4.34Å; F1416-L1431 HydrophobicContact CE2-CD2 4.31Å; L1431-I1434 PolarHBondContact O-N 3.48Å; L1431-A1435 WeakPolarHBondContact O-CB 3.49Å; L1431-A1435 PolarHBondContact O-N 2.98Å; L1431-M1468 HydrophobicContact CD1-CE 3.73Å; L1431-M1468 HydrophobicContact CD2-CE 4.14Å; L1431-M1468 HydrophobicContact CG-CE 4.37Å |
| 1432 | G | 66.2 | Low | 57.3 | Low | 43 Ų | 43 | 60.8 Ų | 60.8 | 44% | 0.443 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.8 | -40.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | T1430 I1434 A1435 E1436 | T1430-G1432 PolarHBondContact O-N 3.46Å; G1432-I1434 VanDerWaalsContact C-N 3.31Å; G1432-I1434 PolarHBondContact O-N 3.04Å; G1432-A1435 WeakPolarHBondContact O-CB 3.45Å; G1432-A1435 PolarHBondContact O-N 2.96Å; G1432-E1436 PolarHBondContact O-N 3.45Å |
| 1433 | E | 64.8 | Low | 58.9 | Low | 56 Ų | 56 | 54.3 Ų | 54.3 | 26% | 0.262 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.1 | -35 | 175 | -75.3 | 172.5 | 145.1 | 0 | 0 | 112 | K1390 T1430 K1437 | K1390-E1433 VanDerWaalsContact NZ-CD 3.3Å; K1390-E1433 IonicContact NZ-OE1 2.9Å; K1390-E1433 PolarHBondContact NZ-OE1 3.28Å; K1390-E1433 IonicContact NZ-OE2 3.9Å; K1390-E1433 PolarHBondContact NZ-OE2 3.2Å; K1390-E1433 VanDerWaalsContact NZ-OE2 3.12Å; T1430-E1433 PolarHBondContact N-OE2 3.34Å; T1430-E1433 PolarHBondContact O-N 2.77Å; T1430-E1433 VanDerWaalsContact OG1-CG 3.26Å; T1430-E1433 WeakPolarHBondContact OG1-CG 3.41Å; T1430-E1433 PolarHBondContact OG1-N 2.92Å; T1430-E1433 PolarHBondContact OG1-OE2 3.31Å; E1433-K1437 WeakPolarHBondContact O-CG 3.44Å |
| 1434 | I | 61.8 | Low | 60.7 | Low | 11 Ų | 11 | 49.9 Ų | 49.9 | 6% | 0.056 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.4 | -40.6 | 173.7 | -63.1 | 171.5 | 0 | 0 | 0 | 110.3 | F1416 L1429 T1430 L1431 G1432 K1437 I1439 L1469 | F1416-I1434 HydrophobicContact CD2-CD1 4.16Å; L1429-I1434 HydrophobicContact CD2-CG1 4Å; T1430-I1434 PolarHBondContact O-N 3.14Å; T1430-I1434 VanDerWaalsContact O-N 3.16Å; L1431-I1434 PolarHBondContact O-N 3.48Å; G1432-I1434 VanDerWaalsContact C-N 3.31Å; G1432-I1434 PolarHBondContact O-N 3.04Å; I1434-K1437 PolarHBondContact O-N 2.89Å; I1434-I1439 HydrophobicContact CG2-CD1 3.89Å; I1434-L1469 HydrophobicContact CG2-CD2 4.28Å |
| 1435 | A | 59.5 | Low | 62.6 | Low | 37 Ų | 37 | 46.9 Ų | 46.9 | 31% | 0.306 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65 | -42.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1431 G1432 K1437 F1472 | L1431-A1435 WeakPolarHBondContact O-CB 3.49Å; L1431-A1435 PolarHBondContact O-N 2.98Å; G1432-A1435 WeakPolarHBondContact O-CB 3.45Å; G1432-A1435 PolarHBondContact O-N 2.96Å; A1435-K1437 PolarHBondContact O-N 3.37Å; A1435-F1472 HydrophobicContact CB-CD1 4.07Å; A1435-F1472 HydrophobicContact CB-CE1 3.44Å; A1435-F1472 VanDerWaalsContact CB-CE1 3.44Å; A1435-F1472 HydrophobicContact CB-CE2 4.17Å; A1435-F1472 HydrophobicContact CB-CZ 3.51Å |
| 1436 | E | 62.2 | Low | 64 | Low | 166 Ų | 166 | 41.7 Ų | 41.7 | 78% | 0.776 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -65.8 | -22.1 | -179.7 | -77.9 | -175 | 172 | 0 | 0 | 113.6 | G1432 | G1432-E1436 PolarHBondContact O-N 3.45Å |
| 1437 | K | 59.7 | Low | 65.1 | Low | 108 Ų | 108 | 36.3 Ų | 36.3 | 47% | 0.47 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -100.4 | -14 | -168.2 | -64.8 | -74 | 178.5 | -179.1 | 0 | 114.5 | F1394 E1433 I1434 A1435 | F1394-K1437 HydrophobicContact CB-CD 4.24Å; F1394-K1437 HydrophobicContact CB-CG 4.4Å; F1394-K1437 HydrophobicContact CD1-CB 3.86Å; F1394-K1437 HydrophobicContact CD1-CG 3.88Å; F1394-K1437 HydrophobicContact CD2-CD 4.43Å; F1394-K1437 HydrophobicContact CD2-CG 4.34Å; F1394-K1437 HydrophobicContact CE1-CB 4.29Å; F1394-K1437 HydrophobicContact CE1-CG 4.11Å; F1394-K1437 HydrophobicContact CG-CB 4.28Å; F1394-K1437 HydrophobicContact CG-CD 4.2Å; F1394-K1437 HydrophobicContact CG-CG 3.97Å; F1394-K1437 HydrophobicContact CZ-CG 4.41Å; E1433-K1437 WeakPolarHBondContact O-CG 3.44Å; I1434-K1437 PolarHBondContact O-N 2.89Å; A1435-K1437 PolarHBondContact O-N 3.37Å |
| 1438 | G | 60.3 | Low | 65.5 | Low | 24 Ų | 24 | 34.2 Ų | 34.2 | 25% | 0.247 | 21% | 0.205 | C | C | . | . | trans | 62.5 | 71 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | C1440 | G1438-C1440 PolarHBondContact O-N 3.05Š| ||
| 1439 | I | 61.7 | Low | 65.6 | Low | 13 Ų | 13 | 35.4 Ų | 35.4 | 7% | 0.067 | 21% | 0.205 | C | C | . | . | trans | -77.8 | 107.8 | 178.1 | -54.5 | 179.8 | 0 | 0 | 0 | 109.8 | L1403 I1434 A1441 C1474 | L1403-I1439 HydrophobicContact CD1-CG2 4.23Å; I1434-I1439 HydrophobicContact CG2-CD1 3.89Å; I1439-A1441 HydrophobicContact CG2-CB 4.39Å; I1439-C1474 PolarHBondContact O-SG 3.46Å | ||
| 1440 | C | 61.8 | Low | 65.4 | Low | 80 Ų | 80 | 35.4 Ų | 35.4 | 54% | 0.541 | 21% | 0.205 | S | C | . | . | trans | -101.4 | 50.4 | -178.3 | -60.6 | 0 | 0 | 0 | 0 | 112.9 | G1438 | G1438-C1440 PolarHBondContact O-N 3.05Š| ||
| 1441 | A | 63.6 | Low | 64.8 | Low | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | trans | -77.7 | 135 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111 | N1400 L1403 I1439 L1444 C1474 S1475 | N1400-A1441 WeakPolarHBondContact O-CA 3.31Å; L1403-A1441 HydrophobicContact CB-CB 3.88Å; L1403-A1441 HydrophobicContact CD1-CB 4.22Å; I1439-A1441 HydrophobicContact CG2-CB 4.39Å; A1441-L1444 HydrophobicContact CB-CB 4.39Å; A1441-C1474 VanDerWaalsContact O-CA 3.23Å; A1441-C1474 WeakPolarHBondContact O-CA 3.39Å; A1441-S1475 PolarHBondContact O-N 3.47Å | ||
| 1442 | S | 69 | Low | 64.2 | Low | 30 Ų | 30 | 44.8 Ų | 44.8 | 21% | 0.21 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -68.2 | -41.6 | 173.8 | 58.1 | 0 | 0 | 0 | 0 | 111.8 | R1401 S1475 S1476 V1532 | R1401-S1442 VanDerWaalsContact C-OG 3.29Å; R1401-S1442 CarbonylContact O-C 3.49Å; R1401-S1442 WeakPolarHBondContact O-CA 3.29Å; R1401-S1442 WeakPolarHBondContact O-CB 3.41Å; R1401-S1442 PolarHBondContact O-N 3.17Å; R1401-S1442 PolarHBondContact O-OG 3.31Å; S1442-S1475 WeakPolarHBondContact O-CB 3.23Å; S1442-S1476 PolarHBondContact O-N 3.24Å; S1442-V1532 WeakPolarHBondContact O-CG2 3.3Å |
| 1443 | L | 71 | Confident | 63.6 | Low | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 116.9 | 170.6 | 178.3 | 68.1 | 0 | 0 | 0 | 109.8 | R1401 I1402 L1403 T1445 S1476 F1497 F1501 V1532 | R1401-L1443 PolarHBondContact O-N 2.93Å; I1402-L1443 CarbonylContact C-O 3.6Å; I1402-L1443 VanDerWaalsContact CA-O 3.29Å; I1402-L1443 WeakPolarHBondContact CA-O 3.27Å; I1402-L1443 HydrophobicContact CG1-CB 4.34Å; I1402-L1443 HydrophobicContact CG2-CB 4.36Å; I1402-L1443 HydrophobicContact CG2-CD2 4.23Å; I1402-L1443 HydrophobicContact CG2-CG 4.47Å; L1403-L1443 PolarHBondContact N-O 3.1Å; L1443-T1445 HydrophobicContact CD2-CG2 4.25Å; L1443-T1445 HydrophobicContact CG-CG2 4.14Å; L1443-S1476 CarbonylContact C-O 3.6Å; L1443-S1476 WeakPolarHBondContact CA-O 3.39Å; L1443-F1497 HydrophobicContact CD2-CE1 3.85Å; L1443-F1497 HydrophobicContact CD2-CZ 3.8Å; L1443-F1501 HydrophobicContact CD2-CD1 4.34Å; L1443-F1501 HydrophobicContact CD2-CE1 3.77Å; L1443-F1501 HydrophobicContact CD2-CE2 4.43Å; L1443-F1501 HydrophobicContact CD2-CZ 3.83Å; L1443-V1532 HydrophobicContact CB-CG1 4.37Å; L1443-V1532 HydrophobicContact CB-CG2 4.49Å |
| 1444 | L | 74.1 | Confident | 62.9 | Low | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 110.1 | 175.1 | -179.6 | 68 | 0 | 0 | 0 | 109.5 | L1403 L1405 A1441 V1446 L1469 S1476 V1477 L1478 | L1403-L1444 HydrophobicContact CB-CD1 3.84Å; L1403-L1444 HydrophobicContact CD2-CD1 3.96Å; L1403-L1444 HydrophobicContact CG-CD1 4.4Å; L1403-L1444 CarbonylContact O-C 3.54Å; L1403-L1444 WeakPolarHBondContact O-CA 3.15Å; L1405-L1444 HydrophobicContact CD1-CD1 3.85Å; L1405-L1444 HydrophobicContact CG-CD1 4.13Å; A1441-L1444 HydrophobicContact CB-CB 4.39Å; L1444-V1446 HydrophobicContact CD1-CG2 4.43Å; L1444-V1446 HydrophobicContact CD2-CG2 3.91Å; L1444-V1446 HydrophobicContact CG-CG2 3.76Å; L1444-L1469 HydrophobicContact CD2-CB 4.42Å; L1444-L1469 HydrophobicContact CD2-CD1 3.86Å; L1444-L1469 HydrophobicContact CD2-CD2 4Å; L1444-L1469 HydrophobicContact CD2-CG 4.31Å; L1444-S1476 PolarHBondContact N-O 3.36Å; L1444-V1477 HydrophobicContact CB-CG2 4.42Å; L1444-V1477 CarbonylContact O-C 3.48Å; L1444-V1477 WeakPolarHBondContact O-CA 3.36Å; L1444-L1478 PolarHBondContact O-N 3.29Å |
| 1445 | T | 73.1 | Confident | 62.3 | Low | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 113.2 | 174 | 59.5 | 0 | 0 | 0 | 0 | 108.9 | L1403 H1404 L1405 L1443 L1478 Y1498 | L1403-T1445 PolarHBondContact O-N 3.49Å; L1403-T1445 PolarHBondContact O-OG1 2.9Å; H1404-T1445 CarbonylContact C-O 3.35Å; H1404-T1445 WeakPolarHBondContact CA-O 3.46Å; H1404-T1445 WeakPolarHBondContact CA-OG1 3.4Å; H1404-T1445 WeakPolarHBondContact CB-OG1 3.43Å; H1404-T1445 PolarHBondContact ND1-OG1 3Å; L1405-T1445 PolarHBondContact N-O 3.05Å; L1443-T1445 HydrophobicContact CD2-CG2 4.25Å; L1443-T1445 HydrophobicContact CG-CG2 4.14Å; T1445-L1478 CarbonylContact C-O 3.56Å; T1445-L1478 VanDerWaalsContact CA-O 3.31Å; T1445-L1478 WeakPolarHBondContact CA-O 3.43Å; T1445-L1478 HydrophobicContact CG2-CB 3.91Å; T1445-L1478 HydrophobicContact CG2-CD2 3.77Å; T1445-L1478 HydrophobicContact CG2-CG 4.36Å; T1445-Y1498 PolarHBondContact OG1-OH 3.48Å |
| 1446 | V | 70.2 | Confident | 62 | Low | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.012 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 111.3 | -179.4 | -175.5 | 0 | 0 | 0 | 0 | 109.1 | L1405 L1407 L1444 A1448 L1469 V1477 L1478 L1479 V1480 | L1405-V1446 CarbonylContact O-C 3.56Å; L1405-V1446 WeakPolarHBondContact O-CA 3.01Å; L1407-V1446 HydrophobicContact CD1-CG1 4.19Å; L1444-V1446 HydrophobicContact CD1-CG2 4.43Å; L1444-V1446 HydrophobicContact CD2-CG2 3.91Å; L1444-V1446 HydrophobicContact CG-CG2 3.76Å; V1446-A1448 HydrophobicContact CG1-CB 4.36Å; V1446-L1469 HydrophobicContact CG2-CD1 4.19Å; V1446-V1477 HydrophobicContact CG2-CG1 4.4Å; V1446-L1478 PolarHBondContact N-O 2.91Å; V1446-L1479 HydrophobicContact CB-CD2 3.83Å; V1446-L1479 HydrophobicContact CB-CG 4.28Å; V1446-L1479 HydrophobicContact CG1-CD2 3.94Å; V1446-L1479 WeakPolarHBondContact O-CA 3.41Å; V1446-V1480 PolarHBondContact O-N 3.2Å |
| 1447 | H | 70.7 | Confident | 62.1 | Low | 13 Ų | 13 | 55.8 Ų | 55.8 | 6% | 0.06 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 105.9 | 168.1 | -174.8 | -149.1 | 0 | 0 | 0 | 108.2 | L1405 K1406 L1407 E1482 | L1405-H1447 PolarHBondContact O-N 3.36Å; K1406-H1447 HydrophobicContact CB-CB 4.42Å; K1406-H1447 WeakPolarHBondContact CE-ND1 3.35Å; K1406-H1447 HydrophobicContact CG-CB 4.3Å; L1407-H1447 PolarHBondContact N-O 2.91Å; H1447-E1482 IonicContact CD2-OE1 3.73Å; H1447-E1482 IonicContact CE1-OE1 3.63Å; H1447-E1482 PolarHBondContact CE1-OE1 2.86Å; H1447-E1482 VanDerWaalsContact CE1-OE1 3.3Å; H1447-E1482 IonicContact CE1-OE2 3.26Å; H1447-E1482 PolarHBondContact CE1-OE2 3.46Å; H1447-E1482 IonicContact NE2-OE1 3.09Å; H1447-E1482 PolarHBondContact NE2-OE1 3.29Å; H1447-E1482 IonicContact NE2-OE2 2.67Å; H1447-E1482 PolarHBondContact NE2-OE2 3.02Å |
| 1448 | A | 65.3 | Low | 62.3 | Low | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 114.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | L1407 V1446 F1450 L1479 V1480 G1481 E1482 | L1407-A1448 WeakPolarHBondContact O-CA 3.4Å; V1446-A1448 HydrophobicContact CG1-CB 4.36Å; A1448-F1450 HydrophobicContact CB-CD2 4.37Å; A1448-F1450 HydrophobicContact CB-CE2 3.69Å; A1448-F1450 HydrophobicContact CB-CZ 3.82Å; A1448-F1450 WeakPolarHBondContact O-CD2 3.46Å; A1448-L1479 HydrophobicContact CB-CD2 4.35Å; A1448-V1480 PolarHBondContact N-O 2.84Å; A1448-G1481 WeakPolarHBondContact O-CA 3.4Å; A1448-E1482 PolarHBondContact O-N 3.37Å |
| 1449 | Q | 64.3 | Low | 62.6 | Low | 50 Ų | 50 | 58.3 Ų | 58.3 | 23% | 0.234 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 122.3 | 168.2 | -70.8 | 179.5 | -15 | 0 | 0 | 109.2 | L1407 T1408 W1409 E1482 | L1407-Q1449 PolarHBondContact O-N 2.94Å; T1408-Q1449 HydrophobicContact CG2-CB 3.85Å; T1408-Q1449 HydrophobicContact CG2-CG 4.36Å; W1409-Q1449 PolarHBondContact N-O 3.31Å; Q1449-E1482 HydrophobicContact CG-CB 4.37Å |
| 1450 | F | 62.2 | Low | 62.9 | Low | 11 Ų | 11 | 65.4 Ų | 65.4 | 5% | 0.048 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 122.2 | 178.6 | -66.4 | -80.6 | 0 | 0 | 0 | 109.8 | W1409 A1448 L1458 R1461 I1465 E1482 | W1409-F1450 HydrophobicContact CB-CD1 4.26Å; W1409-F1450 HydrophobicContact CB-CE1 4.37Å; W1409-F1450 HydrophobicContact CG-CD1 4.41Å; W1409-F1450 HydrophobicContact CG-CE1 4.43Å; A1448-F1450 HydrophobicContact CB-CD2 4.37Å; A1448-F1450 HydrophobicContact CB-CE2 3.69Å; A1448-F1450 HydrophobicContact CB-CZ 3.82Å; A1448-F1450 WeakPolarHBondContact O-CD2 3.46Å; F1450-L1458 HydrophobicContact CD2-CD2 3.99Å; F1450-L1458 HydrophobicContact CD2-CG 4.49Å; F1450-L1458 HydrophobicContact CE2-CD2 4.13Å; F1450-R1461 HydrophobicContact CE1-CB 4.46Å; F1450-I1465 HydrophobicContact CE1-CD1 4.05Å; F1450-I1465 HydrophobicContact CZ-CD1 4.1Å; F1450-E1482 PolarHBondContact N-O 3.12Å |
| 1451 | R | 55.4 | Low | 63.2 | Low | 154 Ų | 154 | 63.8 Ų | 63.8 | 58% | 0.581 | 32% | 0.316 | S | S | * | . | trans | -68.4 | 130.6 | 164.5 | -95.8 | -173.4 | 179.2 | 168.6 | 1.3 | 110.1 | D1453 E1484 | R1451-D1453 PolarHBondContact O-N 3.14Å; R1451-D1453 VanDerWaalsContact O-N 3.12Å; R1451-E1484 WeakPolarHBondContact CG-OE1 2.89Å; R1451-E1484 IonicContact CZ-OE1 2.77Å; R1451-E1484 IonicContact NE-OE1 2.93Å; R1451-E1484 PolarHBondContact NE-OE1 3.18Å; R1451-E1484 IonicContact NH2-OE1 3.54Å | ||
| 1452 | M | 51.4 | Low | 63.5 | Low | 140 Ų | 140 | 63.8 Ų | 63.8 | 69% | 0.69 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -76.1 | 13.2 | -173 | -73.6 | -71.5 | -71 | 0 | 0 | 114.7 | D1454 L1458 | M1452-D1454 PolarHBondContact O-N 2.85Å; M1452-L1458 HydrophobicContact SD-CD1 4.38Å |
| 1453 | D | 54.1 | Low | 63.7 | Low | 130 Ų | 130 | 66.3 Ų | 66.3 | 70% | 0.695 | 33% | 0.327 | S | S | * | . | trans | -84.1 | 3.2 | -166.1 | -63.6 | -28.6 | 0 | 0 | 0 | 115.9 | R1451 | R1451-D1453 PolarHBondContact O-N 3.14Å; R1451-D1453 VanDerWaalsContact O-N 3.12Å | ||
| 1454 | D | 48.7 | Very low | 63.8 | Low | 86 Ų | 86 | 68.8 Ų | 68.8 | 46% | 0.46 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -133.6 | 130 | -176.7 | -76.7 | -34.8 | 0 | 0 | 0 | 113.9 | M1452 T1456 R1461 | M1452-D1454 PolarHBondContact O-N 2.85Å; D1454-T1456 PolarHBondContact O-N 3.29Å; D1454-R1461 IonicContact OD2-CZ 2.9Å; D1454-R1461 IonicContact OD2-NH1 3.85Å; D1454-R1461 IonicContact OD2-NH2 2.64Å; D1454-R1461 PolarHBondContact OD2-NH2 3.17Å |
| 1455 | D | 50 | Low | 63.7 | Low | 183 Ų | 183 | 69.3 Ų | 69.3 | 98% | 0.979 | 35% | 0.345 | S | S | * | . | trans | -56 | 2.3 | -176.6 | -81.9 | -32.7 | 0 | 0 | 0 | 118.3 | ||||
| 1456 | T | 53.8 | Low | 63.8 | Low | 74 Ų | 74 | 69.3 Ų | 69.3 | 45% | 0.454 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -87.8 | 126.2 | -179.5 | 49.6 | 0 | 0 | 0 | 0 | 111.7 | D1454 L1458 R1461 | D1454-T1456 PolarHBondContact O-N 3.29Å; T1456-L1458 PolarHBondContact O-N 3.43Å; T1456-R1461 PolarHBondContact OG1-NE 2.99Å; T1456-R1461 PolarHBondContact OG1-NH2 3.48Å |
| 1457 | S | 63 | Low | 64 | Low | 72 Ų | 72 | 72.8 Ų | 72.8 | 50% | 0.503 | 37% | 0.366 | S | S | . | . | trans | -50.5 | 129 | -177.6 | 66.7 | 0 | 0 | 0 | 0 | 112.4 | Q1459 Y1460 R1461 | S1457-Q1459 PolarHBondContact O-N 2.9Å; S1457-Q1459 VanDerWaalsContact O-N 3.07Å; S1457-Y1460 PolarHBondContact O-N 3.31Å; S1457-R1461 PolarHBondContact O-N 2.98Å | ||
| 1458 | L | 64.5 | Low | 64 | Low | 56 Ų | 56 | 75.4 Ų | 75.4 | 29% | 0.293 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -53.2 | -32.3 | -178.2 | -139.9 | 140 | 0 | 0 | 0 | 112 | F1450 M1452 T1456 R1461 A1462 | F1450-L1458 HydrophobicContact CD2-CD2 3.99Å; F1450-L1458 HydrophobicContact CD2-CG 4.49Å; F1450-L1458 HydrophobicContact CE2-CD2 4.13Å; M1452-L1458 HydrophobicContact SD-CD1 4.38Å; T1456-L1458 PolarHBondContact O-N 3.43Å; L1458-R1461 PolarHBondContact O-N 2.94Å; L1458-A1462 WeakPolarHBondContact O-CB 3.27Å; L1458-A1462 PolarHBondContact O-N 2.82Å |
| 1459 | Q | 66.7 | Low | 64.3 | Low | 129 Ų | 129 | 76 Ų | 76 | 60% | 0.603 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -58 | -44.5 | 171.8 | -74.1 | 176.5 | -2 | 0 | 0 | 113.6 | S1457 A1462 L1463 Y1526 | S1457-Q1459 PolarHBondContact O-N 2.9Å; S1457-Q1459 VanDerWaalsContact O-N 3.07Å; Q1459-A1462 PolarHBondContact O-N 3.37Å; Q1459-L1463 VanDerWaalsContact O-CB 3.29Å; Q1459-L1463 WeakPolarHBondContact O-CB 3.44Å; Q1459-L1463 PolarHBondContact O-N 3.41Å; Q1459-Y1526 HydrophobicContact CG-CE1 4.4Å; Q1459-Y1526 WeakPolarHBondContact CG-OH 3.49Å |
| 1460 | Y | 68.5 | Low | 64.8 | Low | 161 Ų | 161 | 78.6 Ų | 78.6 | 63% | 0.631 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -68.7 | -39.9 | -178.4 | -168.6 | -94.3 | 0 | 0 | 0 | 111.1 | S1457 T1464 | S1457-Y1460 PolarHBondContact O-N 3.31Å; Y1460-T1464 WeakPolarHBondContact O-CB 3.41Å; Y1460-T1464 PolarHBondContact O-N 2.99Å; Y1460-T1464 PolarHBondContact O-OG1 2.91Å |
| 1461 | R | 67.8 | Low | 65.1 | Low | 47 Ų | 47 | 82 Ų | 82 | 18% | 0.177 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -64.5 | -47.4 | 174.8 | -68.6 | -178.2 | 177.9 | -167.4 | -8.7 | 111.3 | F1450 D1454 T1456 S1457 L1458 L1463 T1464 I1465 | F1450-R1461 HydrophobicContact CE1-CB 4.46Å; D1454-R1461 IonicContact OD2-CZ 2.9Å; D1454-R1461 IonicContact OD2-NH1 3.85Å; D1454-R1461 IonicContact OD2-NH2 2.64Å; D1454-R1461 PolarHBondContact OD2-NH2 3.17Å; T1456-R1461 PolarHBondContact OG1-NE 2.99Å; T1456-R1461 PolarHBondContact OG1-NH2 3.48Å; S1457-R1461 PolarHBondContact O-N 2.98Å; L1458-R1461 PolarHBondContact O-N 2.94Å; R1461-L1463 PolarHBondContact O-N 3.04Å; R1461-T1464 PolarHBondContact O-N 3.02Å; R1461-I1465 VanDerWaalsContact O-CG1 3.28Å; R1461-I1465 WeakPolarHBondContact O-CG1 3.34Å; R1461-I1465 PolarHBondContact O-N 3.01Å |
| 1462 | A | 69.5 | Low | 65.5 | Low | 1 Ų | 1 | 77.7 Ų | 77.7 | 1% | 0.008 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -60 | -44.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | L1458 Q1459 I1465 A1466 L1479 Y1526 F1528 | L1458-A1462 WeakPolarHBondContact O-CB 3.27Å; L1458-A1462 PolarHBondContact O-N 2.82Å; Q1459-A1462 PolarHBondContact O-N 3.37Å; A1462-I1465 PolarHBondContact O-N 3.38Å; A1462-A1466 VanDerWaalsContact O-CB 3.23Å; A1462-A1466 WeakPolarHBondContact O-CB 3.23Å; A1462-A1466 PolarHBondContact O-N 3.36Å; A1462-L1479 WeakPolarHBondContact O-CD1 3.35Å; A1462-Y1526 HydrophobicContact CB-CD2 3.83Å; A1462-Y1526 HydrophobicContact CB-CE2 4Å; A1462-F1528 HydrophobicContact CB-CE2 4.39Å; A1462-F1528 HydrophobicContact CB-CZ 4.38Å |
| 1463 | L | 74 | Confident | 66.3 | Low | 83 Ų | 83 | 73 Ų | 73 | 44% | 0.435 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.3 | -40.7 | 176.3 | -174.4 | 68.2 | 0 | 0 | 0 | 111.9 | Q1459 R1461 A1466 T1467 F1528 | Q1459-L1463 VanDerWaalsContact O-CB 3.29Å; Q1459-L1463 WeakPolarHBondContact O-CB 3.44Å; Q1459-L1463 PolarHBondContact O-N 3.41Å; R1461-L1463 PolarHBondContact O-N 3.04Å; L1463-A1466 PolarHBondContact O-N 2.93Å; L1463-T1467 HydrophobicContact CD1-CG2 4.18Å; L1463-T1467 HydrophobicContact CG-CG2 4.29Å; L1463-T1467 WeakPolarHBondContact O-CB 3.28Å; L1463-T1467 VanDerWaalsContact O-CG2 3.26Å; L1463-T1467 WeakPolarHBondContact O-CG2 3.39Å; L1463-T1467 PolarHBondContact O-N 3.29Å; L1463-T1467 PolarHBondContact O-OG1 3.47Å; L1463-F1528 HydrophobicContact CD1-CD1 4.18Å; L1463-F1528 HydrophobicContact CD1-CE1 3.71Å |
| 1464 | T | 71.7 | Confident | 66.9 | Low | 52 Ų | 52 | 67 Ų | 67 | 32% | 0.319 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66 | -44.1 | 178.7 | -51.7 | 0 | 0 | 0 | 0 | 111.2 | Y1460 R1461 T1467 M1468 | Y1460-T1464 WeakPolarHBondContact O-CB 3.41Å; Y1460-T1464 PolarHBondContact O-N 2.99Å; Y1460-T1464 PolarHBondContact O-OG1 2.91Å; R1461-T1464 PolarHBondContact O-N 3.02Å; T1464-T1467 WeakPolarHBondContact CA-OG1 3.49Å; T1464-T1467 PolarHBondContact O-OG1 3.44Å; T1464-T1467 VanDerWaalsContact O-OG1 3.05Å; T1464-M1468 WeakPolarHBondContact O-CB 3.46Å; T1464-M1468 WeakPolarHBondContact O-CG 3.48Å; T1464-M1468 PolarHBondContact O-N 3.32Å; T1464-M1468 VanDerWaalsContact O-N 3.09Å |
| 1465 | I | 72.9 | Confident | 68.1 | Low | 11 Ų | 11 | 65.4 Ų | 65.4 | 6% | 0.056 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.5 | -46.5 | 176.2 | -67 | 164.8 | 0 | 0 | 0 | 109.9 | F1416 F1450 R1461 A1462 M1468 L1469 L1479 | F1416-I1465 HydrophobicContact CZ-CD1 4.15Å; F1416-I1465 HydrophobicContact CZ-CG1 4.42Å; F1416-I1465 HydrophobicContact CZ-CG2 4.05Å; F1450-I1465 HydrophobicContact CE1-CD1 4.05Å; F1450-I1465 HydrophobicContact CZ-CD1 4.1Å; R1461-I1465 VanDerWaalsContact O-CG1 3.28Å; R1461-I1465 WeakPolarHBondContact O-CG1 3.34Å; R1461-I1465 PolarHBondContact O-N 3.01Å; A1462-I1465 PolarHBondContact O-N 3.38Å; I1465-M1468 PolarHBondContact O-N 2.93Å; I1465-L1469 HydrophobicContact CG2-CD1 3.68Å; I1465-L1469 HydrophobicContact CG2-CG 4.4Å; I1465-L1469 WeakPolarHBondContact O-CB 3.44Å; I1465-L1469 VanDerWaalsContact O-CG 3.26Å; I1465-L1469 WeakPolarHBondContact O-CG 3.21Å; I1465-L1469 PolarHBondContact O-N 2.98Å; I1465-L1479 HydrophobicContact CB-CD1 4.42Å; I1465-L1479 HydrophobicContact CG2-CD1 4.18Å; I1465-L1479 HydrophobicContact CG2-CD2 4.17Å |
| 1466 | A | 74.7 | Confident | 69.5 | Low | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.008 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.2 | -43.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | A1462 L1463 L1469 R1470 L1479 F1528 | A1462-A1466 VanDerWaalsContact O-CB 3.23Å; A1462-A1466 WeakPolarHBondContact O-CB 3.23Å; A1462-A1466 PolarHBondContact O-N 3.36Å; L1463-A1466 PolarHBondContact O-N 2.93Å; A1466-L1469 PolarHBondContact O-N 3.43Å; A1466-R1470 WeakPolarHBondContact O-CB 3.46Å; A1466-R1470 WeakPolarHBondContact O-CG 3.37Å; A1466-R1470 PolarHBondContact O-N 3.42Å; A1466-L1479 HydrophobicContact CB-CD1 3.84Å; A1466-F1528 HydrophobicContact CB-CB 3.77Å; A1466-F1528 HydrophobicContact CB-CD1 4.08Å; A1466-F1528 HydrophobicContact CB-CD2 3.21Å; A1466-F1528 HydrophobicContact CB-CE1 4.46Å; A1466-F1528 HydrophobicContact CB-CE2 3.64Å; A1466-F1528 HydrophobicContact CB-CG 3.44Å; A1466-F1528 VanDerWaalsContact CB-CG 3.44Å; A1466-F1528 HydrophobicContact CB-CZ 4.26Å |
| 1467 | T | 74.8 | Confident | 70.8 | Confident | 75 Ų | 75 | 53.2 Ų | 53.2 | 46% | 0.46 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.9 | -40.3 | 178.3 | 46.3 | 0 | 0 | 0 | 0 | 111.4 | L1463 T1464 R1470 A1471 | L1463-T1467 HydrophobicContact CD1-CG2 4.18Å; L1463-T1467 HydrophobicContact CG-CG2 4.29Å; L1463-T1467 WeakPolarHBondContact O-CB 3.28Å; L1463-T1467 VanDerWaalsContact O-CG2 3.26Å; L1463-T1467 WeakPolarHBondContact O-CG2 3.39Å; L1463-T1467 PolarHBondContact O-N 3.29Å; L1463-T1467 PolarHBondContact O-OG1 3.47Å; T1464-T1467 WeakPolarHBondContact CA-OG1 3.49Å; T1464-T1467 PolarHBondContact O-OG1 3.44Å; T1464-T1467 VanDerWaalsContact O-OG1 3.05Å; T1467-R1470 PolarHBondContact O-N 2.94Å; T1467-A1471 WeakPolarHBondContact O-CB 3.5Å; T1467-A1471 PolarHBondContact O-N 3.22Å |
| 1468 | M | 70.3 | Confident | 71.6 | Confident | 67 Ų | 67 | 49.8 Ų | 49.8 | 33% | 0.33 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.2 | -50.3 | 173.2 | -73.6 | -131.8 | -93.5 | 0 | 0 | 111.6 | L1431 T1464 I1465 R1470 A1471 F1472 | L1431-M1468 HydrophobicContact CD1-CE 3.73Å; L1431-M1468 HydrophobicContact CD2-CE 4.14Å; L1431-M1468 HydrophobicContact CG-CE 4.37Å; T1464-M1468 WeakPolarHBondContact O-CB 3.46Å; T1464-M1468 WeakPolarHBondContact O-CG 3.48Å; T1464-M1468 PolarHBondContact O-N 3.32Å; T1464-M1468 VanDerWaalsContact O-N 3.09Å; I1465-M1468 PolarHBondContact O-N 2.93Å; M1468-R1470 VanDerWaalsContact C-N 3.27Å; M1468-R1470 PolarHBondContact O-N 3.35Å; M1468-A1471 WeakPolarHBondContact O-CB 3.27Å; M1468-A1471 PolarHBondContact O-N 2.94Å; M1468-F1472 HydrophobicContact CB-CE2 3.96Å; M1468-F1472 WeakPolarHBondContact O-CD2 3.36Å; M1468-F1472 VanDerWaalsContact O-CE2 3.29Å; M1468-F1472 WeakPolarHBondContact O-CE2 3.43Å; M1468-F1472 WeakPolarHBondContact O-CG 3.29Å; M1468-F1472 PolarHBondContact O-N 2.97Å |
| 1469 | L | 71.3 | Confident | 72.3 | Confident | 14 Ų | 14 | 47.3 Ų | 47.3 | 7% | 0.073 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60 | -35.7 | 178.5 | -69.9 | 169.4 | 0 | 0 | 0 | 112.9 | I1434 L1444 V1446 I1465 A1466 F1472 C1474 V1477 | I1434-L1469 HydrophobicContact CG2-CD2 4.28Å; L1444-L1469 HydrophobicContact CD2-CB 4.42Å; L1444-L1469 HydrophobicContact CD2-CD1 3.86Å; L1444-L1469 HydrophobicContact CD2-CD2 4Å; L1444-L1469 HydrophobicContact CD2-CG 4.31Å; V1446-L1469 HydrophobicContact CG2-CD1 4.19Å; I1465-L1469 HydrophobicContact CG2-CD1 3.68Å; I1465-L1469 HydrophobicContact CG2-CG 4.4Å; I1465-L1469 WeakPolarHBondContact O-CB 3.44Å; I1465-L1469 VanDerWaalsContact O-CG 3.26Å; I1465-L1469 WeakPolarHBondContact O-CG 3.21Å; I1465-L1469 PolarHBondContact O-N 2.98Å; A1466-L1469 PolarHBondContact O-N 3.43Å; L1469-F1472 PolarHBondContact O-N 3.02Å; L1469-C1474 WeakPolarHBondContact O-CB 3.41Å; L1469-C1474 PolarHBondContact O-N 2.96Å; L1469-V1477 HydrophobicContact CB-CG2 4.01Å; L1469-V1477 HydrophobicContact CD1-CG1 4.06Å |
| 1470 | R | 75 | Confident | 72.6 | Confident | 104 Ų | 104 | 41.1 Ų | 41.1 | 39% | 0.392 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -68.9 | -38.7 | 172.7 | -77.1 | -169.2 | 68.6 | 173 | -0.1 | 113.1 | A1466 T1467 M1468 F1472 G1473 V1477 G1529 | A1466-R1470 WeakPolarHBondContact O-CB 3.46Å; A1466-R1470 WeakPolarHBondContact O-CG 3.37Å; A1466-R1470 PolarHBondContact O-N 3.42Å; T1467-R1470 PolarHBondContact O-N 2.94Å; M1468-R1470 VanDerWaalsContact C-N 3.27Å; M1468-R1470 PolarHBondContact O-N 3.35Å; R1470-F1472 PolarHBondContact O-N 3.33Å; R1470-G1473 PolarHBondContact O-N 3.3Å; R1470-V1477 HydrophobicContact CG-CG2 4.24Å; R1470-G1529 VanDerWaalsContact NH1-CA 3.27Å |
| 1471 | A | 68 | Low | 72.6 | Confident | 82 Ų | 82 | 33.8 Ų | 33.8 | 68% | 0.678 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -61.3 | -23.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T1467 M1468 | T1467-A1471 WeakPolarHBondContact O-CB 3.5Å; T1467-A1471 PolarHBondContact O-N 3.22Å; M1468-A1471 WeakPolarHBondContact O-CB 3.27Å; M1468-A1471 PolarHBondContact O-N 2.94Å |
| 1472 | F | 65.6 | Low | 72.4 | Confident | 64 Ų | 64 | 32 Ų | 32 | 28% | 0.281 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 5.8 | 179.6 | -58.1 | -52 | 0 | 0 | 0 | 115.3 | A1435 M1468 L1469 R1470 | A1435-F1472 HydrophobicContact CB-CD1 4.07Å; A1435-F1472 HydrophobicContact CB-CE1 3.44Å; A1435-F1472 VanDerWaalsContact CB-CE1 3.44Å; A1435-F1472 HydrophobicContact CB-CE2 4.17Å; A1435-F1472 HydrophobicContact CB-CZ 3.51Å; M1468-F1472 HydrophobicContact CB-CE2 3.96Å; M1468-F1472 WeakPolarHBondContact O-CD2 3.36Å; M1468-F1472 VanDerWaalsContact O-CE2 3.29Å; M1468-F1472 WeakPolarHBondContact O-CE2 3.43Å; M1468-F1472 WeakPolarHBondContact O-CG 3.29Å; M1468-F1472 PolarHBondContact O-N 2.97Å; L1469-F1472 PolarHBondContact O-N 3.02Å; R1470-F1472 PolarHBondContact O-N 3.33Å |
| 1473 | G | 66.5 | Low | 71.8 | Confident | 40 Ų | 40 | 34.1 Ų | 34.1 | 41% | 0.412 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 110.4 | 3.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | R1470 | R1470-G1473 PolarHBondContact O-N 3.3Š|
| 1474 | C | 68.3 | Low | 70.7 | Confident | 5 Ų | 5 | 36.3 Ų | 36.3 | 3% | 0.034 | 21% | 0.212 | C | C | . | . | trans | -77.8 | 127.6 | 173.3 | -67.5 | 0 | 0 | 0 | 0 | 111.6 | I1439 A1441 L1469 V1477 | I1439-C1474 PolarHBondContact O-SG 3.46Å; A1441-C1474 VanDerWaalsContact O-CA 3.23Å; A1441-C1474 WeakPolarHBondContact O-CA 3.39Å; L1469-C1474 WeakPolarHBondContact O-CB 3.41Å; L1469-C1474 PolarHBondContact O-N 2.96Å; C1474-V1477 HydrophobicContact CB-CG2 4.06Å | ||
| 1475 | S | 74.1 | Confident | 69.7 | Low | 53 Ų | 53 | 37.3 Ų | 37.3 | 37% | 0.371 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -74.3 | -39.9 | -178.2 | -59.1 | 0 | 0 | 0 | 0 | 112.6 | A1441 S1442 G1529 R1530 | A1441-S1475 PolarHBondContact O-N 3.47Å; S1442-S1475 WeakPolarHBondContact O-CB 3.23Å; S1475-G1529 CarbonylContact O-C 3.5Å; S1475-G1529 WeakPolarHBondContact O-CA 3.4Å; S1475-R1530 PolarHBondContact O-N 3.39Å |
| 1476 | S | 78.2 | Confident | 68.8 | Low | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.007 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 143.3 | 175.9 | -168.4 | 0 | 0 | 0 | 0 | 111.7 | S1442 L1443 L1444 F1528 R1530 V1532 | S1442-S1476 PolarHBondContact O-N 3.24Å; L1443-S1476 CarbonylContact C-O 3.6Å; L1443-S1476 WeakPolarHBondContact CA-O 3.39Å; L1444-S1476 PolarHBondContact N-O 3.36Å; S1476-F1528 CarbonylContact C-O 3.58Å; S1476-F1528 WeakPolarHBondContact CA-O 3.42Å; S1476-R1530 WeakPolarHBondContact CB-O 3.07Å; S1476-V1532 VanDerWaalsContact CB-CG2 3.4Å |
| 1477 | V | 80.4 | Confident | 68.2 | Low | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 118.2 | -177.1 | -176.9 | 0 | 0 | 0 | 0 | 108.7 | L1444 V1446 L1469 R1470 C1474 L1479 I1527 F1528 | L1444-V1477 HydrophobicContact CB-CG2 4.42Å; L1444-V1477 CarbonylContact O-C 3.48Å; L1444-V1477 WeakPolarHBondContact O-CA 3.36Å; V1446-V1477 HydrophobicContact CG2-CG1 4.4Å; L1469-V1477 HydrophobicContact CB-CG2 4.01Å; L1469-V1477 HydrophobicContact CD1-CG1 4.06Å; R1470-V1477 HydrophobicContact CG-CG2 4.24Å; C1474-V1477 HydrophobicContact CB-CG2 4.06Å; V1477-L1479 HydrophobicContact CG1-CD1 4.06Å; V1477-L1479 HydrophobicContact CG1-CG 4.11Å; V1477-I1527 CarbonylContact O-C 3.59Å; V1477-I1527 WeakPolarHBondContact O-CA 3.31Å; V1477-F1528 PolarHBondContact N-O 3.11Å; V1477-F1528 PolarHBondContact O-N 3.41Å |
| 1478 | L | 80.8 | Confident | 67.5 | Low | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 106.5 | 172 | 175.6 | 65.4 | 0 | 0 | 0 | 108.6 | L1444 T1445 V1446 V1480 F1493 F1494 F1497 F1511 Y1526 I1527 | L1444-L1478 PolarHBondContact O-N 3.29Å; T1445-L1478 CarbonylContact C-O 3.56Å; T1445-L1478 VanDerWaalsContact CA-O 3.31Å; T1445-L1478 WeakPolarHBondContact CA-O 3.43Å; T1445-L1478 HydrophobicContact CG2-CB 3.91Å; T1445-L1478 HydrophobicContact CG2-CD2 3.77Å; T1445-L1478 HydrophobicContact CG2-CG 4.36Å; V1446-L1478 PolarHBondContact N-O 2.91Å; L1478-V1480 HydrophobicContact CG-CG2 4.49Å; L1478-F1493 HydrophobicContact CD1-CZ 4.45Å; L1478-F1493 HydrophobicContact CD2-CE1 4.2Å; L1478-F1494 HydrophobicContact CD2-CE1 3.94Å; L1478-F1497 HydrophobicContact CD2-CD1 4.31Å; L1478-F1497 HydrophobicContact CD2-CD2 4.39Å; L1478-F1497 HydrophobicContact CD2-CE1 4.11Å; L1478-F1497 HydrophobicContact CD2-CE2 4.19Å; L1478-F1497 HydrophobicContact CD2-CG 4.45Å; L1478-F1497 HydrophobicContact CD2-CZ 4.05Å; L1478-F1511 HydrophobicContact CD1-CD2 3.57Å; L1478-F1511 HydrophobicContact CD1-CE2 3.62Å; L1478-Y1526 CarbonylContact C-O 3.58Å; L1478-Y1526 WeakPolarHBondContact CA-O 3.32Å; L1478-I1527 HydrophobicContact CD1-CB 4.1Å; L1478-I1527 HydrophobicContact CD1-CG1 4.47Å |
| 1479 | L | 78.6 | Confident | 67.4 | Low | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 126.1 | 176.7 | -89.2 | 149.7 | 0 | 0 | 0 | 110.2 | V1446 A1448 A1462 I1465 A1466 V1477 Y1526 F1528 | V1446-L1479 HydrophobicContact CB-CD2 3.83Å; V1446-L1479 HydrophobicContact CB-CG 4.28Å; V1446-L1479 HydrophobicContact CG1-CD2 3.94Å; V1446-L1479 WeakPolarHBondContact O-CA 3.41Å; A1448-L1479 HydrophobicContact CB-CD2 4.35Å; A1462-L1479 WeakPolarHBondContact O-CD1 3.35Å; I1465-L1479 HydrophobicContact CB-CD1 4.42Å; I1465-L1479 HydrophobicContact CG2-CD1 4.18Å; I1465-L1479 HydrophobicContact CG2-CD2 4.17Å; A1466-L1479 HydrophobicContact CB-CD1 3.84Å; V1477-L1479 HydrophobicContact CG1-CD1 4.06Å; V1477-L1479 HydrophobicContact CG1-CG 4.11Å; L1479-Y1526 PolarHBondContact N-O 3.01Å; L1479-Y1526 PolarHBondContact O-N 3.41Å; L1479-F1528 HydrophobicContact CD1-CD2 4.12Å; L1479-F1528 HydrophobicContact CD1-CE2 3.95Å |
| 1480 | V | 73.7 | Confident | 67.2 | Low | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 114.4 | 173.2 | -176.8 | 0 | 0 | 0 | 0 | 108.6 | V1446 A1448 L1478 V1490 F1494 Y1525 | V1446-V1480 PolarHBondContact O-N 3.2Å; A1448-V1480 PolarHBondContact N-O 2.84Å; L1478-V1480 HydrophobicContact CG-CG2 4.49Å; V1480-V1490 HydrophobicContact CG1-CG1 3.96Å; V1480-F1494 HydrophobicContact CB-CZ 4.31Å; V1480-F1494 HydrophobicContact CG2-CE1 4.19Å; V1480-F1494 HydrophobicContact CG2-CE2 4.1Å; V1480-F1494 HydrophobicContact CG2-CZ 3.46Å; V1480-F1494 VanDerWaalsContact CG2-CZ 3.46Å; V1480-Y1525 HydrophobicContact CB-CD1 4.23Å; V1480-Y1525 HydrophobicContact CG1-CD1 3.73Å; V1480-Y1525 HydrophobicContact CG1-CE1 3.62Å; V1480-Y1525 HydrophobicContact CG2-CD1 3.67Å; V1480-Y1525 HydrophobicContact CG2-CE1 4.17Å |
| 1481 | G | 67.3 | Low | 66.9 | Low | 6 Ų | 6 | 40.8 Ų | 40.8 | 6% | 0.062 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 117 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A1448 V1524 | A1448-G1481 WeakPolarHBondContact O-CA 3.4Å; G1481-V1524 PolarHBondContact N-O 3.28Å; G1481-V1524 PolarHBondContact O-N 3.49Å |
| 1482 | E | 64.1 | Low | 67 | Low | 9 Ų | 9 | 41.7 Ų | 41.7 | 4% | 0.042 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 137.2 | 172 | -86.3 | 178 | -159.3 | 0 | 0 | 111.6 | H1447 A1448 Q1449 F1450 V1490 | H1447-E1482 IonicContact CD2-OE1 3.73Å; H1447-E1482 IonicContact CE1-OE1 3.63Å; H1447-E1482 PolarHBondContact CE1-OE1 2.86Å; H1447-E1482 VanDerWaalsContact CE1-OE1 3.3Å; H1447-E1482 IonicContact CE1-OE2 3.26Å; H1447-E1482 PolarHBondContact CE1-OE2 3.46Å; H1447-E1482 IonicContact NE2-OE1 3.09Å; H1447-E1482 PolarHBondContact NE2-OE1 3.29Å; H1447-E1482 IonicContact NE2-OE2 2.67Å; H1447-E1482 PolarHBondContact NE2-OE2 3.02Å; A1448-E1482 PolarHBondContact O-N 3.37Å; Q1449-E1482 HydrophobicContact CG-CB 4.37Å; F1450-E1482 PolarHBondContact N-O 3.12Å; E1482-V1490 HydrophobicContact CG-CG2 4.1Å; E1482-V1490 WeakPolarHBondContact OE1-CB 3.21Å; E1482-V1490 WeakPolarHBondContact OE1-CG2 3.28Å |
| 1483 | P | 57.2 | Low | 67.7 | Low | 47 Ų | 47 | 39 Ų | 39 | 31% | 0.305 | 25% | 0.245 | S | C | . | . | trans | -83.1 | 108.9 | 160.8 | 29.9 | -28.2 | 0 | 0 | 0 | 110.3 | S1485 N1522 | P1483-S1485 VanDerWaalsContact C-N 3.26Å; P1483-S1485 PolarHBondContact O-N 3.31Å; P1483-N1522 WeakPolarHBondContact CD-O 3.39Å; P1483-N1522 HydrophobicContact CG-CB 3.85Å; P1483-N1522 WeakPolarHBondContact CG-O 3.42Å | ||
| 1484 | E | 51.5 | Low | 68.2 | Low | 128 Ų | 128 | 37.8 Ų | 37.8 | 60% | 0.598 | 23% | 0.228 | S | C | * | . | S | Bend | trans | 32 | 15.8 | 163.9 | -78 | -170.5 | 162.5 | 0 | 0 | 122.4 | R1451 | R1451-E1484 WeakPolarHBondContact CG-OE1 2.89Å; R1451-E1484 IonicContact CZ-OE1 2.77Å; R1451-E1484 IonicContact NE-OE1 2.93Å; R1451-E1484 PolarHBondContact NE-OE1 3.18Å; R1451-E1484 IonicContact NH2-OE1 3.54Å |
| 1485 | S | 50.6 | Low | 68.3 | Low | 74 Ų | 74 | 38.8 Ų | 38.8 | 52% | 0.517 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -146.1 | 132 | 172 | 62.3 | 0 | 0 | 0 | 0 | 112.6 | P1483 D1487 | P1483-S1485 VanDerWaalsContact C-N 3.26Å; P1483-S1485 PolarHBondContact O-N 3.31Å; S1485-D1487 PolarHBondContact O-N 3.13Å |
| 1486 | S | 54.7 | Low | 68.5 | Low | 110 Ų | 110 | 37.8 Ų | 37.8 | 77% | 0.769 | 22% | 0.222 | S | C | * | . | trans | -59.5 | 95.4 | 176 | 53.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1487 | D | 60.3 | Low | 68.6 | Low | 52 Ų | 52 | 37.7 Ų | 37.7 | 28% | 0.278 | 22% | 0.221 | S | C | . | . | trans | -89.4 | 123.1 | -179.4 | -143.4 | -2.4 | 0 | 0 | 0 | 109 | S1485 S1489 V1490 S1520 | S1485-D1487 PolarHBondContact O-N 3.13Å; D1487-S1489 PolarHBondContact O-N 3.16Å; D1487-S1489 VanDerWaalsContact O-N 3.08Å; D1487-V1490 PolarHBondContact O-N 3.17Å; D1487-V1490 VanDerWaalsContact O-N 3.13Å; D1487-S1520 WeakPolarHBondContact OD2-CB 3.37Å | ||
| 1488 | P | 61.7 | Low | 68.3 | Low | 103 Ų | 103 | 38.5 Ų | 38.5 | 67% | 0.669 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -61.6 | -18.8 | -176.8 | 21.8 | -33 | 0 | 0 | 0 | 114.1 | V1490 S1491 E1492 | P1488-V1490 VanDerWaalsContact C-N 3.25Å; P1488-V1490 PolarHBondContact O-N 2.87Å; P1488-S1491 PolarHBondContact O-N 3.33Å; P1488-E1492 PolarHBondContact O-N 2.96Å |
| 1489 | S | 67 | Low | 67.8 | Low | 20 Ų | 20 | 43.5 Ų | 43.5 | 14% | 0.14 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.1 | -31.4 | 174.3 | 54.2 | 0 | 0 | 0 | 0 | 113.4 | D1487 E1492 F1493 S1520 | D1487-S1489 PolarHBondContact O-N 3.16Å; D1487-S1489 VanDerWaalsContact O-N 3.08Å; S1489-E1492 PolarHBondContact O-N 2.87Å; S1489-F1493 PolarHBondContact O-N 2.84Å; S1489-S1520 WeakPolarHBondContact CB-OG 3.35Å; S1489-S1520 WeakPolarHBondContact OG-CB 3.15Å; S1489-S1520 PolarHBondContact OG-OG 3.24Å |
| 1490 | V | 68.7 | Low | 67.6 | Low | 5 Ų | 5 | 47.1 Ų | 47.1 | 3% | 0.03 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -70.8 | -37.4 | -179 | 179.8 | 0 | 0 | 0 | 0 | 111.1 | V1480 E1482 D1487 P1488 F1493 F1494 A1523 Y1525 | V1480-V1490 HydrophobicContact CG1-CG1 3.96Å; E1482-V1490 HydrophobicContact CG-CG2 4.1Å; E1482-V1490 WeakPolarHBondContact OE1-CB 3.21Å; E1482-V1490 WeakPolarHBondContact OE1-CG2 3.28Å; D1487-V1490 PolarHBondContact O-N 3.17Å; D1487-V1490 VanDerWaalsContact O-N 3.13Å; P1488-V1490 VanDerWaalsContact C-N 3.25Å; P1488-V1490 PolarHBondContact O-N 2.87Å; V1490-F1493 PolarHBondContact O-N 3.47Å; V1490-F1494 HydrophobicContact CG1-CD2 3.84Å; V1490-F1494 HydrophobicContact CG1-CE2 3.61Å; V1490-F1494 WeakPolarHBondContact O-CD2 3.33Å; V1490-F1494 PolarHBondContact O-N 2.88Å; V1490-F1494 VanDerWaalsContact O-N 3.08Å; V1490-A1523 HydrophobicContact CG2-CB 4.01Å; V1490-Y1525 WeakPolarHBondContact CG2-OH 3.39Å |
| 1491 | S | 67.4 | Low | 67.5 | Low | 55 Ų | 55 | 47.1 Ų | 47.1 | 39% | 0.385 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 172.8 | -62.1 | 0 | 0 | 0 | 0 | 111.7 | P1488 F1493 F1494 Q1495 | P1488-S1491 PolarHBondContact O-N 3.33Å; S1491-F1493 PolarHBondContact O-N 3.13Å; S1491-F1494 PolarHBondContact O-N 2.95Å; S1491-Q1495 WeakPolarHBondContact O-CB 3.41Å; S1491-Q1495 PolarHBondContact O-N 3.49Å |
| 1492 | E | 71.3 | Confident | 67.3 | Low | 101 Ų | 101 | 48.7 Ų | 48.7 | 47% | 0.472 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.2 | -38.8 | 178.5 | -163.8 | 174.1 | -173.1 | 0 | 0 | 111.9 | P1488 S1489 Q1495 Q1496 | P1488-E1492 PolarHBondContact O-N 2.96Å; S1489-E1492 PolarHBondContact O-N 2.87Å; E1492-Q1495 PolarHBondContact O-N 3.04Å; E1492-Q1496 PolarHBondContact O-N 3.25Å; E1492-Q1496 VanDerWaalsContact O-N 3.14Å |
| 1493 | F | 80.2 | Confident | 67 | Low | 8 Ų | 8 | 51.5 Ų | 51.5 | 4% | 0.035 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.2 | -50.7 | 172.7 | 172.4 | -92.8 | 0 | 0 | 0 | 111.8 | L1478 S1489 V1490 S1491 Q1495 Q1496 F1497 F1511 A1514 Y1525 | L1478-F1493 HydrophobicContact CD1-CZ 4.45Å; L1478-F1493 HydrophobicContact CD2-CE1 4.2Å; S1489-F1493 PolarHBondContact O-N 2.84Å; V1490-F1493 PolarHBondContact O-N 3.47Å; S1491-F1493 PolarHBondContact O-N 3.13Å; F1493-Q1495 VanDerWaalsContact C-N 3.31Å; F1493-Q1495 PolarHBondContact O-N 3.39Å; F1493-Q1496 PolarHBondContact O-N 3.29Å; F1493-F1497 VanDerWaalsContact O-CB 3.3Å; F1493-F1497 WeakPolarHBondContact O-CB 3.35Å; F1493-F1497 PolarHBondContact O-N 2.95Å; F1493-F1511 HydrophobicContact CE2-CD2 4.3Å; F1493-F1511 HydrophobicContact CE2-CE2 4.3Å; F1493-F1511 AromaticContact CZ-CD2 3.69Å; F1493-F1511 HydrophobicContact CZ-CD2 3.69Å; F1493-F1511 AromaticContact CZ-CE2 3.77Å; F1493-F1511 HydrophobicContact CZ-CE2 3.77Å; F1493-A1514 HydrophobicContact CD2-CB 3.68Å; F1493-A1514 HydrophobicContact CE2-CB 3.62Å; F1493-A1514 HydrophobicContact CG-CB 4.39Å; F1493-A1514 HydrophobicContact CZ-CB 4.29Å; F1493-Y1525 HydrophobicContact CB-CE1 3.97Å; F1493-Y1525 AromaticContact CD1-CD1 3.59Å; F1493-Y1525 HydrophobicContact CD1-CD1 3.59Å; F1493-Y1525 AromaticContact CD1-CE1 3.44Å; F1493-Y1525 HydrophobicContact CD1-CE1 3.44Å; F1493-Y1525 VanDerWaalsContact CD1-CE1 3.44Å; F1493-Y1525 HydrophobicContact CD2-CD1 4.16Å; F1493-Y1525 HydrophobicContact CD2-CE1 4.08Å; F1493-Y1525 HydrophobicContact CD2-CG 4.48Å; F1493-Y1525 AromaticContact CE1-CD1 3.51Å; F1493-Y1525 HydrophobicContact CE1-CD1 3.51Å; F1493-Y1525 AromaticContact CE1-CE1 3.9Å; F1493-Y1525 HydrophobicContact CE1-CE1 3.9Å; F1493-Y1525 HydrophobicContact CE1-CG 4.33Å; F1493-Y1525 HydrophobicContact CE2-CD1 4.09Å; F1493-Y1525 HydrophobicContact CE2-CE1 4.47Å; F1493-Y1525 HydrophobicContact CE2-CG 4.21Å; F1493-Y1525 AromaticContact CG-CD1 3.92Å; F1493-Y1525 HydrophobicContact CG-CD1 3.92Å; F1493-Y1525 AromaticContact CG-CE1 3.54Å; F1493-Y1525 HydrophobicContact CG-CE1 3.54Å; F1493-Y1525 AromaticContact CG-CZ 3.98Å; F1493-Y1525 AromaticContact CZ-CD1 3.78Å; F1493-Y1525 HydrophobicContact CZ-CD1 3.78Å; F1493-Y1525 HydrophobicContact CZ-CE1 4.39Å; F1493-Y1525 HydrophobicContact CZ-CG 4.14Å |
| 1494 | F | 75.7 | Confident | 67.3 | Low | 13 Ų | 13 | 50.8 Ų | 50.8 | 6% | 0.057 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.7 | -37.8 | 179.5 | -80.3 | -62 | 0 | 0 | 0 | 112.1 | H1404 L1478 V1480 V1490 S1491 Q1496 F1497 Y1498 | H1404-F1494 AromaticContact CE1-CD1 3.67Å; H1404-F1494 AromaticContact CE1-CE1 3.34Å; H1404-F1494 WeakPolarHBondContact CE1-CE1 3.41Å; H1404-F1494 AromaticContact CE1-CE2 3.77Å; H1404-F1494 AromaticContact CE1-CZ 3.39Å; H1404-F1494 WeakPolarHBondContact CE1-CZ 3.32Å; H1404-F1494 AromaticContact NE2-CZ 3.88Å; L1478-F1494 HydrophobicContact CD2-CE1 3.94Å; V1480-F1494 HydrophobicContact CB-CZ 4.31Å; V1480-F1494 HydrophobicContact CG2-CE1 4.19Å; V1480-F1494 HydrophobicContact CG2-CE2 4.1Å; V1480-F1494 HydrophobicContact CG2-CZ 3.46Å; V1480-F1494 VanDerWaalsContact CG2-CZ 3.46Å; V1490-F1494 HydrophobicContact CG1-CD2 3.84Å; V1490-F1494 HydrophobicContact CG1-CE2 3.61Å; V1490-F1494 WeakPolarHBondContact O-CD2 3.33Å; V1490-F1494 PolarHBondContact O-N 2.88Å; V1490-F1494 VanDerWaalsContact O-N 3.08Å; S1491-F1494 PolarHBondContact O-N 2.95Å; F1494-Q1496 PolarHBondContact O-N 3.47Å; F1494-F1497 PolarHBondContact O-N 3.24Å; F1494-Y1498 HydrophobicContact CB-CD2 4.31Å; F1494-Y1498 HydrophobicContact CB-CE2 4.25Å; F1494-Y1498 AromaticContact CD1-CE2 3.93Å; F1494-Y1498 HydrophobicContact CD1-CE2 3.93Å; F1494-Y1498 HydrophobicContact CG-CE2 4.46Å; F1494-Y1498 WeakPolarHBondContact O-CD2 3.23Å; F1494-Y1498 PolarHBondContact O-N 3.42Å |
| 1495 | Q | 70 | Confident | 68 | Low | 27 Ų | 27 | 45.9 Ų | 45.9 | 13% | 0.126 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.1 | -51.4 | 175.8 | -173.9 | -179.4 | -5.7 | 0 | 0 | 111.4 | L1371 I1374 S1491 E1492 F1493 E1499 | L1371-Q1495 HydrophobicContact CD1-CB 4.05Å; L1371-Q1495 HydrophobicContact CG-CB 4.03Å; L1371-Q1495 HydrophobicContact CG-CG 4.23Å; I1374-Q1495 HydrophobicContact CD1-CG 4.19Å; S1491-Q1495 WeakPolarHBondContact O-CB 3.41Å; S1491-Q1495 PolarHBondContact O-N 3.49Å; E1492-Q1495 PolarHBondContact O-N 3.04Å; F1493-Q1495 VanDerWaalsContact C-N 3.31Å; F1493-Q1495 PolarHBondContact O-N 3.39Å; Q1495-E1499 VanDerWaalsContact O-CB 3.3Å; Q1495-E1499 WeakPolarHBondContact O-CB 3.28Å; Q1495-E1499 PolarHBondContact O-N 2.97Å |
| 1496 | Q | 78.1 | Confident | 69.1 | Low | 31 Ų | 31 | 42.8 Ų | 42.8 | 15% | 0.145 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.8 | -35.3 | -180 | -70.3 | -180 | 24.3 | 0 | 0 | 113 | E1492 F1493 F1494 E1499 H1500 A1514 T1517 | E1492-Q1496 PolarHBondContact O-N 3.25Å; E1492-Q1496 VanDerWaalsContact O-N 3.14Å; F1493-Q1496 PolarHBondContact O-N 3.29Å; F1494-Q1496 PolarHBondContact O-N 3.47Å; Q1496-E1499 PolarHBondContact O-N 2.73Å; Q1496-H1500 PolarHBondContact O-N 3.22Å; Q1496-H1500 VanDerWaalsContact O-N 3.08Å; Q1496-H1500 PolarHBondContact O-ND1 2.88Å; Q1496-A1514 HydrophobicContact CB-CB 3.96Å; Q1496-T1517 PolarHBondContact NE2-OG1 3.4Å; Q1496-T1517 VanDerWaalsContact OE1-CB 3.31Å; Q1496-T1517 PolarHBondContact OE1-OG1 3.22Å |
| 1497 | F | 80.9 | Confident | 70.1 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60 | -53.9 | 175.8 | 174.8 | -95.5 | 0 | 0 | 0 | 110.1 | L1443 L1478 F1493 F1494 E1499 H1500 F1501 S1507 A1510 F1511 A1514 | L1443-F1497 HydrophobicContact CD2-CE1 3.85Å; L1443-F1497 HydrophobicContact CD2-CZ 3.8Å; L1478-F1497 HydrophobicContact CD2-CD1 4.31Å; L1478-F1497 HydrophobicContact CD2-CD2 4.39Å; L1478-F1497 HydrophobicContact CD2-CE1 4.11Å; L1478-F1497 HydrophobicContact CD2-CE2 4.19Å; L1478-F1497 HydrophobicContact CD2-CG 4.45Å; L1478-F1497 HydrophobicContact CD2-CZ 4.05Å; F1493-F1497 VanDerWaalsContact O-CB 3.3Å; F1493-F1497 WeakPolarHBondContact O-CB 3.35Å; F1493-F1497 PolarHBondContact O-N 2.95Å; F1494-F1497 PolarHBondContact O-N 3.24Å; F1497-E1499 VanDerWaalsContact C-N 3.33Å; F1497-E1499 PolarHBondContact O-N 3.16Å; F1497-H1500 PolarHBondContact O-N 3.22Å; F1497-F1501 WeakPolarHBondContact O-CB 3.37Å; F1497-F1501 PolarHBondContact O-N 3.02Å; F1497-S1507 WeakPolarHBondContact CE2-O 3.36Å; F1497-A1510 HydrophobicContact CD2-CB 3.95Å; F1497-A1510 HydrophobicContact CE2-CB 3.98Å; F1497-A1510 WeakPolarHBondContact O-CB 3.35Å; F1497-F1511 HydrophobicContact CD2-CB 4.24Å; F1497-F1511 HydrophobicContact CE2-CB 4.1Å; F1497-A1514 HydrophobicContact CB-CB 3.85Å |
| 1498 | Y | 74.7 | Confident | 71.1 | Confident | 17 Ų | 17 | 38.1 Ų | 38.1 | 7% | 0.067 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.6 | -32.6 | -180 | -71.7 | -60.6 | 0 | 0 | 0 | 112.7 | I1374 L1378 I1402 H1404 T1445 F1494 F1501 V1502 | I1374-Y1498 HydrophobicContact CG2-CG 4.42Å; L1378-Y1498 HydrophobicContact CD1-CD1 3.78Å; L1378-Y1498 HydrophobicContact CD1-CE1 4.18Å; L1378-Y1498 HydrophobicContact CD1-CG 4.04Å; I1402-Y1498 HydrophobicContact CG2-CE1 4.44Å; H1404-Y1498 AromaticContact ND1-CE2 3.98Å; H1404-Y1498 AromaticContact ND1-CZ 3.84Å; H1404-Y1498 PolarHBondContact ND1-OH 3.36Å; T1445-Y1498 PolarHBondContact OG1-OH 3.48Å; F1494-Y1498 HydrophobicContact CB-CD2 4.31Å; F1494-Y1498 HydrophobicContact CB-CE2 4.25Å; F1494-Y1498 AromaticContact CD1-CE2 3.93Å; F1494-Y1498 HydrophobicContact CD1-CE2 3.93Å; F1494-Y1498 HydrophobicContact CG-CE2 4.46Å; F1494-Y1498 WeakPolarHBondContact O-CD2 3.23Å; F1494-Y1498 PolarHBondContact O-N 3.42Å; Y1498-F1501 PolarHBondContact O-N 2.85Å; Y1498-V1502 VanDerWaalsContact O-CB 3.29Å; Y1498-V1502 WeakPolarHBondContact O-CB 3.3Å; Y1498-V1502 VanDerWaalsContact O-CG2 3.23Å; Y1498-V1502 WeakPolarHBondContact O-CG2 3.29Å; Y1498-V1502 PolarHBondContact O-N 2.99Å |
| 1499 | E | 70.8 | Confident | 71.9 | Confident | 104 Ų | 104 | 35.4 Ų | 35.4 | 49% | 0.486 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.7 | -48.1 | 175.6 | -171.2 | 172 | -164.4 | 0 | 0 | 112 | I1374 Q1495 Q1496 F1497 G1503 | I1374-E1499 HydrophobicContact CD1-CB 4.36Å; Q1495-E1499 VanDerWaalsContact O-CB 3.3Å; Q1495-E1499 WeakPolarHBondContact O-CB 3.28Å; Q1495-E1499 PolarHBondContact O-N 2.97Å; Q1496-E1499 PolarHBondContact O-N 2.73Å; F1497-E1499 VanDerWaalsContact C-N 3.33Å; F1497-E1499 PolarHBondContact O-N 3.16Å; E1499-G1503 PolarHBondContact O-N 3.41Å |
| 1500 | H | 73.4 | Confident | 72.5 | Confident | 79 Ų | 79 | 34.5 Ų | 34.5 | 37% | 0.366 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -68.6 | -39 | 175.9 | -71.8 | 80.5 | 0 | 0 | 0 | 111.7 | Q1496 F1497 G1503 G1504 A1505 A1510 A1513 | Q1496-H1500 PolarHBondContact O-N 3.22Å; Q1496-H1500 VanDerWaalsContact O-N 3.08Å; Q1496-H1500 PolarHBondContact O-ND1 2.88Å; F1497-H1500 PolarHBondContact O-N 3.22Å; H1500-G1503 CarbonylContact O-C 3.28Å; H1500-G1503 PolarHBondContact O-N 2.8Å; H1500-G1504 PolarHBondContact O-N 3.06Å; H1500-A1505 HydrophobicContact CB-CB 4.07Å; H1500-A1505 WeakPolarHBondContact O-CB 3.45Å; H1500-A1505 PolarHBondContact O-N 3.37Å; H1500-A1510 HydrophobicContact CB-CB 3.8Å; H1500-A1513 HydrophobicContact CB-CB 4.36Å; H1500-A1513 WeakPolarHBondContact CD2-CB 3.38Å; H1500-A1513 WeakPolarHBondContact NE2-CB 3.24Å |
| 1501 | F | 71.7 | Confident | 73.3 | Confident | 1 Ų | 1 | 36 Ų | 36 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.7 | -44.1 | -178.4 | -166.9 | -117.3 | 0 | 0 | 0 | 112.4 | I1402 L1443 F1497 Y1498 G1503 G1504 A1505 A1510 V1532 F1534 | I1402-F1501 HydrophobicContact CD1-CD1 4.23Å; I1402-F1501 HydrophobicContact CD1-CE1 3.6Å; I1402-F1501 HydrophobicContact CG1-CE1 4.23Å; L1443-F1501 HydrophobicContact CD2-CD1 4.34Å; L1443-F1501 HydrophobicContact CD2-CE1 3.77Å; L1443-F1501 HydrophobicContact CD2-CE2 4.43Å; L1443-F1501 HydrophobicContact CD2-CZ 3.83Å; F1497-F1501 WeakPolarHBondContact O-CB 3.37Å; F1497-F1501 PolarHBondContact O-N 3.02Å; Y1498-F1501 PolarHBondContact O-N 2.85Å; F1501-G1503 VanDerWaalsContact C-N 3.29Å; F1501-G1504 PolarHBondContact O-N 3.34Å; F1501-A1505 WeakPolarHBondContact CD2-O 3.45Å; F1501-A1510 HydrophobicContact CB-CB 3.84Å; F1501-A1510 HydrophobicContact CD2-CB 4.25Å; F1501-V1532 HydrophobicContact CE2-CB 4.49Å; F1501-V1532 WeakPolarHBondContact CE2-O 3.16Å; F1501-V1532 HydrophobicContact CZ-CB 4.29Å; F1501-V1532 HydrophobicContact CZ-CG1 4Å; F1501-F1534 HydrophobicContact CD1-CB 4Å; F1501-F1534 HydrophobicContact CD1-CD2 4.49Å; F1501-F1534 HydrophobicContact CD1-CG 4.46Å; F1501-F1534 HydrophobicContact CE1-CB 3.85Å; F1501-F1534 HydrophobicContact CE1-CD2 4.1Å; F1501-F1534 HydrophobicContact CE1-CG 4.35Å; F1501-F1534 HydrophobicContact CG-CB 4.48Å; F1501-F1534 HydrophobicContact CZ-CB 4.18Å; F1501-F1534 WeakPolarHBondContact O-CB 3.36Å |
| 1502 | V | 64.3 | Low | 74 | Confident | 39 Ų | 39 | 35.6 Ų | 35.6 | 24% | 0.236 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68 | -31.3 | 173.3 | 174 | 0 | 0 | 0 | 0 | 111 | L1378 Y1498 G1504 F1534 | L1378-V1502 HydrophobicContact CD2-CG2 4.08Å; L1378-V1502 HydrophobicContact CG-CG2 4.48Å; Y1498-V1502 VanDerWaalsContact O-CB 3.29Å; Y1498-V1502 WeakPolarHBondContact O-CB 3.3Å; Y1498-V1502 VanDerWaalsContact O-CG2 3.23Å; Y1498-V1502 WeakPolarHBondContact O-CG2 3.29Å; Y1498-V1502 PolarHBondContact O-N 2.99Å; V1502-G1504 PolarHBondContact O-N 3.35Å; V1502-G1504 VanDerWaalsContact O-N 3.14Å; V1502-F1534 HydrophobicContact CG2-CD1 4.4Å; V1502-F1534 HydrophobicContact CG2-CE1 4.39Å |
| 1503 | G | 57.8 | Low | 74.4 | Confident | 68 Ų | 68 | 31.8 Ų | 31.8 | 70% | 0.701 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | 1.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | E1499 H1500 F1501 | E1499-G1503 PolarHBondContact O-N 3.41Å; H1500-G1503 CarbonylContact O-C 3.28Å; H1500-G1503 PolarHBondContact O-N 2.8Å; F1501-G1503 VanDerWaalsContact C-N 3.29Å |
| 1504 | G | 61.8 | Low | 74.5 | Confident | 31 Ų | 31 | 31.4 Ų | 31.4 | 32% | 0.32 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 95 | 1.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | H1500 F1501 V1502 | H1500-G1504 PolarHBondContact O-N 3.06Å; F1501-G1504 PolarHBondContact O-N 3.34Å; V1502-G1504 PolarHBondContact O-N 3.35Å; V1502-G1504 VanDerWaalsContact O-N 3.14Å |
| 1505 | A | 66.8 | Low | 74.5 | Confident | 26 Ų | 26 | 32.3 Ų | 32.3 | 22% | 0.215 | 21% | 0.209 | C | C | . | . | trans | -66.9 | 143.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | H1500 F1501 A1509 A1510 | H1500-A1505 HydrophobicContact CB-CB 4.07Å; H1500-A1505 WeakPolarHBondContact O-CB 3.45Å; H1500-A1505 PolarHBondContact O-N 3.37Å; F1501-A1505 WeakPolarHBondContact CD2-O 3.45Å; A1505-A1509 HydrophobicContact CB-CB 3.96Å; A1505-A1510 HydrophobicContact CB-CB 4.3Å | ||
| 1506 | S | 74.6 | Confident | 74.6 | Confident | 9 Ų | 9 | 40.6 Ų | 40.6 | 6% | 0.063 | 24% | 0.239 | C | C | . | . | trans | -57.8 | 157.2 | 169.9 | 82.2 | 0 | 0 | 0 | 0 | 109.8 | V1508 A1509 A1510 E1531 V1532 | S1506-V1508 PolarHBondContact O-N 2.89Å; S1506-V1508 PolarHBondContact OG-N 3.16Å; S1506-A1509 PolarHBondContact O-N 3.27Å; S1506-A1509 WeakPolarHBondContact OG-CB 3.22Å; S1506-A1509 PolarHBondContact OG-N 3.17Å; S1506-A1510 WeakPolarHBondContact O-CB 3.18Å; S1506-A1510 PolarHBondContact O-N 2.97Å; S1506-E1531 PolarHBondContact OG-OE1 3.45Å; S1506-V1532 CarbonylContact C-O 3.56Å; S1506-V1532 WeakPolarHBondContact CA-O 3.48Å | ||
| 1507 | S | 75.5 | Confident | 73.8 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -53.7 | -32.4 | 176.2 | 57.2 | 0 | 0 | 0 | 0 | 112.3 | F1497 F1511 I1527 V1532 | F1497-S1507 WeakPolarHBondContact CE2-O 3.36Å; S1507-F1511 WeakPolarHBondContact O-CB 3.2Å; S1507-F1511 PolarHBondContact O-N 2.88Å; S1507-I1527 WeakPolarHBondContact O-CD1 3.35Å; S1507-V1532 PolarHBondContact N-O 3.48Å; S1507-V1532 PolarHBondContact OG-N 3.49Å |
| 1508 | V | 81 | Confident | 72.5 | Confident | 63 Ų | 63 | 50.7 Ų | 50.7 | 38% | 0.382 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -78.5 | -40.2 | 178.4 | 176.6 | 0 | 0 | 0 | 0 | 111 | S1506 F1511 S1512 E1531 | S1506-V1508 PolarHBondContact O-N 2.89Å; S1506-V1508 PolarHBondContact OG-N 3.16Å; V1508-F1511 PolarHBondContact O-N 3.13Å; V1508-S1512 WeakPolarHBondContact O-CB 3.49Å; V1508-S1512 PolarHBondContact O-N 3.36Å; V1508-E1531 HydrophobicContact CB-CG 4.22Å; V1508-E1531 HydrophobicContact CG2-CG 3.8Å |
| 1509 | A | 78.5 | Confident | 71.4 | Confident | 47 Ų | 47 | 56.8 Ų | 56.8 | 39% | 0.388 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.4 | -41.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1505 S1506 S1512 A1513 | A1505-A1509 HydrophobicContact CB-CB 3.96Å; S1506-A1509 PolarHBondContact O-N 3.27Å; S1506-A1509 WeakPolarHBondContact OG-CB 3.22Å; S1506-A1509 PolarHBondContact OG-N 3.17Å; A1509-S1512 PolarHBondContact O-N 3.45Å; A1509-A1513 WeakPolarHBondContact O-CB 3.37Å; A1509-A1513 PolarHBondContact O-N 3.1Å |
| 1510 | A | 79.8 | Confident | 70.6 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | F1497 H1500 F1501 A1505 S1506 A1513 A1514 | F1497-A1510 HydrophobicContact CD2-CB 3.95Å; F1497-A1510 HydrophobicContact CE2-CB 3.98Å; F1497-A1510 WeakPolarHBondContact O-CB 3.35Å; H1500-A1510 HydrophobicContact CB-CB 3.8Å; F1501-A1510 HydrophobicContact CB-CB 3.84Å; F1501-A1510 HydrophobicContact CD2-CB 4.25Å; A1505-A1510 HydrophobicContact CB-CB 4.3Å; S1506-A1510 WeakPolarHBondContact O-CB 3.18Å; S1506-A1510 PolarHBondContact O-N 2.97Å; A1510-A1513 PolarHBondContact O-N 2.89Å; A1510-A1514 WeakPolarHBondContact O-CB 3.46Å; A1510-A1514 PolarHBondContact O-N 3.12Å |
| 1511 | F | 85.2 | Confident | 69.8 | Low | 37 Ų | 37 | 57 Ų | 57 | 16% | 0.162 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 172.3 | -179.3 | -91.6 | 0 | 0 | 0 | 112.1 | L1478 F1493 F1497 S1507 V1508 A1513 A1514 S1515 I1527 | L1478-F1511 HydrophobicContact CD1-CD2 3.57Å; L1478-F1511 HydrophobicContact CD1-CE2 3.62Å; F1493-F1511 HydrophobicContact CE2-CD2 4.3Å; F1493-F1511 HydrophobicContact CE2-CE2 4.3Å; F1493-F1511 AromaticContact CZ-CD2 3.69Å; F1493-F1511 HydrophobicContact CZ-CD2 3.69Å; F1493-F1511 AromaticContact CZ-CE2 3.77Å; F1493-F1511 HydrophobicContact CZ-CE2 3.77Å; F1497-F1511 HydrophobicContact CD2-CB 4.24Å; F1497-F1511 HydrophobicContact CE2-CB 4.1Å; S1507-F1511 WeakPolarHBondContact O-CB 3.2Å; S1507-F1511 PolarHBondContact O-N 2.88Å; V1508-F1511 PolarHBondContact O-N 3.13Å; F1511-A1513 VanDerWaalsContact C-N 3.29Å; F1511-A1513 PolarHBondContact O-N 3.42Å; F1511-A1514 PolarHBondContact O-N 2.73Å; F1511-S1515 VanDerWaalsContact O-CB 3.25Å; F1511-S1515 WeakPolarHBondContact O-CB 3.41Å; F1511-S1515 PolarHBondContact O-N 3.44Å; F1511-S1515 PolarHBondContact O-OG 2.99Å; F1511-I1527 HydrophobicContact CB-CD1 4.15Å; F1511-I1527 HydrophobicContact CB-CG2 4.47Å; F1511-I1527 HydrophobicContact CD1-CG2 3.97Å; F1511-I1527 HydrophobicContact CD2-CB 4.08Å; F1511-I1527 HydrophobicContact CD2-CG2 4.17Å; F1511-I1527 HydrophobicContact CE1-CG2 4.24Å; F1511-I1527 HydrophobicContact CE2-CB 4.29Å; F1511-I1527 HydrophobicContact CE2-CG2 4.41Å; F1511-I1527 HydrophobicContact CG-CB 4.31Å; F1511-I1527 HydrophobicContact CG-CD1 4.5Å; F1511-I1527 HydrophobicContact CG-CG2 3.95Å; F1511-I1527 HydrophobicContact CZ-CG2 4.46Å |
| 1512 | S | 81.9 | Confident | 69.4 | Low | 46 Ų | 46 | 62 Ų | 62 | 32% | 0.322 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.5 | -33.6 | 177.3 | -176.9 | 0 | 0 | 0 | 0 | 112.3 | V1508 A1509 S1515 R1516 | V1508-S1512 WeakPolarHBondContact O-CB 3.49Å; V1508-S1512 PolarHBondContact O-N 3.36Å; A1509-S1512 PolarHBondContact O-N 3.45Å; S1512-S1515 VanDerWaalsContact CA-OG 3.31Å; S1512-S1515 WeakPolarHBondContact CA-OG 3.36Å; S1512-S1515 PolarHBondContact O-OG 2.97Å; S1512-R1516 WeakPolarHBondContact O-CG 3.34Å; S1512-R1516 PolarHBondContact O-NE 3.29Å; S1512-R1516 PolarHBondContact OG-NH2 3.42Å |
| 1513 | A | 80.6 | Confident | 69.4 | Low | 21 Ų | 21 | 60.7 Ų | 60.7 | 17% | 0.174 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -72.7 | -47.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | H1500 A1509 A1510 F1511 S1515 R1516 | H1500-A1513 HydrophobicContact CB-CB 4.36Å; H1500-A1513 WeakPolarHBondContact CD2-CB 3.38Å; H1500-A1513 WeakPolarHBondContact NE2-CB 3.24Å; A1509-A1513 WeakPolarHBondContact O-CB 3.37Å; A1509-A1513 PolarHBondContact O-N 3.1Å; A1510-A1513 PolarHBondContact O-N 2.89Å; F1511-A1513 VanDerWaalsContact C-N 3.29Å; F1511-A1513 PolarHBondContact O-N 3.42Å; A1513-S1515 VanDerWaalsContact C-N 3.33Å; A1513-S1515 PolarHBondContact O-N 3.14Å; A1513-R1516 PolarHBondContact O-N 3.33Å |
| 1514 | A | 80.8 | Confident | 70 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.8 | -34.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | F1493 Q1496 F1497 A1510 F1511 R1516 T1517 | F1493-A1514 HydrophobicContact CD2-CB 3.68Å; F1493-A1514 HydrophobicContact CE2-CB 3.62Å; F1493-A1514 HydrophobicContact CG-CB 4.39Å; F1493-A1514 HydrophobicContact CZ-CB 4.29Å; Q1496-A1514 HydrophobicContact CB-CB 3.96Å; F1497-A1514 HydrophobicContact CB-CB 3.85Å; A1510-A1514 WeakPolarHBondContact O-CB 3.46Å; A1510-A1514 PolarHBondContact O-N 3.12Å; F1511-A1514 PolarHBondContact O-N 2.73Å; A1514-R1516 PolarHBondContact O-N 3.4Å; A1514-T1517 PolarHBondContact O-N 2.87Å; A1514-T1517 PolarHBondContact O-OG1 3.34Å |
| 1515 | S | 75.6 | Confident | 70.7 | Confident | 32 Ų | 32 | 60 Ų | 60 | 22% | 0.224 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -11.3 | 178.1 | 51.7 | 0 | 0 | 0 | 0 | 114.4 | F1511 S1512 A1513 | F1511-S1515 VanDerWaalsContact O-CB 3.25Å; F1511-S1515 WeakPolarHBondContact O-CB 3.41Å; F1511-S1515 PolarHBondContact O-N 3.44Å; F1511-S1515 PolarHBondContact O-OG 2.99Å; S1512-S1515 VanDerWaalsContact CA-OG 3.31Å; S1512-S1515 WeakPolarHBondContact CA-OG 3.36Å; S1512-S1515 PolarHBondContact O-OG 2.97Å; A1513-S1515 VanDerWaalsContact C-N 3.33Å; A1513-S1515 PolarHBondContact O-N 3.14Å |
| 1516 | R | 72 | Confident | 71.3 | Confident | 201 Ų | 201 | 61.5 Ų | 61.5 | 76% | 0.758 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -15.2 | 175.4 | -73.6 | 174 | -151.9 | -165.6 | 4.3 | 113.3 | S1512 A1513 A1514 | S1512-R1516 WeakPolarHBondContact O-CG 3.34Å; S1512-R1516 PolarHBondContact O-NE 3.29Å; S1512-R1516 PolarHBondContact OG-NH2 3.42Å; A1513-R1516 PolarHBondContact O-N 3.33Å; A1514-R1516 PolarHBondContact O-N 3.4Å |
| 1517 | T | 61.7 | Low | 71.7 | Confident | 50 Ų | 50 | 62.9 Ų | 62.9 | 31% | 0.307 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -92.5 | 145.3 | 175.4 | 54 | 0 | 0 | 0 | 0 | 110.7 | Q1496 A1514 Q1519 | Q1496-T1517 PolarHBondContact NE2-OG1 3.4Å; Q1496-T1517 VanDerWaalsContact OE1-CB 3.31Å; Q1496-T1517 PolarHBondContact OE1-OG1 3.22Å; A1514-T1517 PolarHBondContact O-N 2.87Å; A1514-T1517 PolarHBondContact O-OG1 3.34Å; T1517-Q1519 PolarHBondContact O-N 3.47Å |
| 1518 | K | 54.5 | Low | 72 | Confident | 194 Ų | 194 | 65 Ų | 65 | 84% | 0.843 | 33% | 0.333 | S | S | * | . | trans | -33.5 | 106.2 | -159.7 | -82.5 | 177.4 | 170.5 | 178.2 | 0 | 114.1 | S1520 | K1518-S1520 PolarHBondContact O-N 2.92Š| ||
| 1519 | Q | 51.8 | Low | 71.7 | Confident | 145 Ų | 145 | 63.6 Ų | 63.6 | 68% | 0.678 | 33% | 0.332 | S | S | * | . | trans | -62.6 | 120.3 | 167.5 | -72.1 | -179.7 | -16.3 | 0 | 0 | 109.3 | T1517 | T1517-Q1519 PolarHBondContact O-N 3.47Š| ||
| 1520 | S | 53 | Low | 71.4 | Confident | 23 Ų | 23 | 70.4 Ų | 70.4 | 16% | 0.161 | 35% | 0.348 | C | S | . | . | trans | -73.7 | 130.1 | 160 | 50.6 | 0 | 0 | 0 | 0 | 108.3 | D1487 S1489 K1518 N1522 A1523 | D1487-S1520 WeakPolarHBondContact OD2-CB 3.37Å; S1489-S1520 WeakPolarHBondContact CB-OG 3.35Å; S1489-S1520 WeakPolarHBondContact OG-CB 3.15Å; S1489-S1520 PolarHBondContact OG-OG 3.24Å; K1518-S1520 PolarHBondContact O-N 2.92Å; S1520-N1522 PolarHBondContact O-N 3.39Å; S1520-A1523 PolarHBondContact O-N 2.92Å | ||
| 1521 | D | 57.7 | Low | 71 | Confident | 165 Ų | 165 | 75.4 Ų | 75.4 | 88% | 0.882 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -16.6 | -173.5 | -76.3 | -26.7 | 0 | 0 | 0 | 114.7 | ||
| 1522 | N | 62.3 | Low | 70.1 | Confident | 104 Ų | 104 | 74.2 Ų | 74.2 | 56% | 0.556 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | -15.4 | -171.2 | -69.6 | -18 | 0 | 0 | 0 | 115.2 | P1483 S1520 | P1483-N1522 WeakPolarHBondContact CD-O 3.39Å; P1483-N1522 HydrophobicContact CG-CB 3.85Å; P1483-N1522 WeakPolarHBondContact CG-O 3.42Å; S1520-N1522 PolarHBondContact O-N 3.39Å |
| 1523 | A | 63.6 | Low | 69.4 | Low | 13 Ų | 13 | 76.9 Ų | 76.9 | 11% | 0.107 | 37% | 0.373 | C | S | . | . | trans | -101.7 | 130.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | V1490 S1520 Y1525 | V1490-A1523 HydrophobicContact CG2-CB 4.01Å; S1520-A1523 PolarHBondContact O-N 2.92Å; A1523-Y1525 HydrophobicContact CB-CE2 3.97Å | ||
| 1524 | V | 70.6 | Confident | 68.4 | Low | 53 Ų | 53 | 77.6 Ų | 77.6 | 32% | 0.321 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 122.9 | -179.5 | -164 | 0 | 0 | 0 | 0 | 110.5 | G1481 Y1526 | G1481-V1524 PolarHBondContact N-O 3.28Å; G1481-V1524 PolarHBondContact O-N 3.49Å; V1524-Y1526 HydrophobicContact CB-CE2 4.08Å; V1524-Y1526 HydrophobicContact CG1-CD2 4.1Å; V1524-Y1526 HydrophobicContact CG1-CE1 4.16Å; V1524-Y1526 HydrophobicContact CG1-CE2 3.34Å; V1524-Y1526 WeakPolarHBondContact CG1-OH 3.2Å |
| 1525 | Y | 77.5 | Confident | 67.2 | Low | 32 Ų | 32 | 80.4 Ų | 80.4 | 13% | 0.125 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 125.6 | -177.6 | -49.9 | -93.6 | 0 | 0 | 0 | 110.3 | V1480 V1490 F1493 A1523 | V1480-Y1525 HydrophobicContact CB-CD1 4.23Å; V1480-Y1525 HydrophobicContact CG1-CD1 3.73Å; V1480-Y1525 HydrophobicContact CG1-CE1 3.62Å; V1480-Y1525 HydrophobicContact CG2-CD1 3.67Å; V1480-Y1525 HydrophobicContact CG2-CE1 4.17Å; V1490-Y1525 WeakPolarHBondContact CG2-OH 3.39Å; F1493-Y1525 HydrophobicContact CB-CE1 3.97Å; F1493-Y1525 AromaticContact CD1-CD1 3.59Å; F1493-Y1525 HydrophobicContact CD1-CD1 3.59Å; F1493-Y1525 AromaticContact CD1-CE1 3.44Å; F1493-Y1525 HydrophobicContact CD1-CE1 3.44Å; F1493-Y1525 VanDerWaalsContact CD1-CE1 3.44Å; F1493-Y1525 HydrophobicContact CD2-CD1 4.16Å; F1493-Y1525 HydrophobicContact CD2-CE1 4.08Å; F1493-Y1525 HydrophobicContact CD2-CG 4.48Å; F1493-Y1525 AromaticContact CE1-CD1 3.51Å; F1493-Y1525 HydrophobicContact CE1-CD1 3.51Å; F1493-Y1525 AromaticContact CE1-CE1 3.9Å; F1493-Y1525 HydrophobicContact CE1-CE1 3.9Å; F1493-Y1525 HydrophobicContact CE1-CG 4.33Å; F1493-Y1525 HydrophobicContact CE2-CD1 4.09Å; F1493-Y1525 HydrophobicContact CE2-CE1 4.47Å; F1493-Y1525 HydrophobicContact CE2-CG 4.21Å; F1493-Y1525 AromaticContact CG-CD1 3.92Å; F1493-Y1525 HydrophobicContact CG-CD1 3.92Å; F1493-Y1525 AromaticContact CG-CE1 3.54Å; F1493-Y1525 HydrophobicContact CG-CE1 3.54Å; F1493-Y1525 AromaticContact CG-CZ 3.98Å; F1493-Y1525 AromaticContact CZ-CD1 3.78Å; F1493-Y1525 HydrophobicContact CZ-CD1 3.78Å; F1493-Y1525 HydrophobicContact CZ-CE1 4.39Å; F1493-Y1525 HydrophobicContact CZ-CG 4.14Å; A1523-Y1525 HydrophobicContact CB-CE2 3.97Å |
| 1526 | Y | 78.9 | Confident | 66.3 | Low | 56 Ų | 56 | 82.2 Ų | 82.2 | 22% | 0.22 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 130.1 | 176.7 | -63.4 | -74.8 | 0 | 0 | 0 | 110.7 | Q1459 A1462 L1478 L1479 V1524 F1528 | Q1459-Y1526 HydrophobicContact CG-CE1 4.4Å; Q1459-Y1526 WeakPolarHBondContact CG-OH 3.49Å; A1462-Y1526 HydrophobicContact CB-CD2 3.83Å; A1462-Y1526 HydrophobicContact CB-CE2 4Å; L1478-Y1526 CarbonylContact C-O 3.58Å; L1478-Y1526 WeakPolarHBondContact CA-O 3.32Å; L1479-Y1526 PolarHBondContact N-O 3.01Å; L1479-Y1526 PolarHBondContact O-N 3.41Å; V1524-Y1526 HydrophobicContact CB-CE2 4.08Å; V1524-Y1526 HydrophobicContact CG1-CD2 4.1Å; V1524-Y1526 HydrophobicContact CG1-CE1 4.16Å; V1524-Y1526 HydrophobicContact CG1-CE2 3.34Å; V1524-Y1526 WeakPolarHBondContact CG1-OH 3.2Å; Y1526-F1528 HydrophobicContact CD1-CZ 4.23Å; Y1526-F1528 HydrophobicContact CG-CE2 4.03Å; Y1526-F1528 HydrophobicContact CG-CZ 4.03Å |
| 1527 | I | 83.5 | Confident | 65.5 | Low | 39 Ų | 39 | 76.4 Ų | 76.4 | 20% | 0.2 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 124.8 | 169.5 | -164.1 | 169 | 0 | 0 | 0 | 109.8 | V1477 L1478 S1507 F1511 | V1477-I1527 CarbonylContact O-C 3.59Å; V1477-I1527 WeakPolarHBondContact O-CA 3.31Å; L1478-I1527 HydrophobicContact CD1-CB 4.1Å; L1478-I1527 HydrophobicContact CD1-CG1 4.47Å; S1507-I1527 WeakPolarHBondContact O-CD1 3.35Å; F1511-I1527 HydrophobicContact CB-CD1 4.15Å; F1511-I1527 HydrophobicContact CB-CG2 4.47Å; F1511-I1527 HydrophobicContact CD1-CG2 3.97Å; F1511-I1527 HydrophobicContact CD2-CB 4.08Å; F1511-I1527 HydrophobicContact CD2-CG2 4.17Å; F1511-I1527 HydrophobicContact CE1-CG2 4.24Å; F1511-I1527 HydrophobicContact CE2-CB 4.29Å; F1511-I1527 HydrophobicContact CE2-CG2 4.41Å; F1511-I1527 HydrophobicContact CG-CB 4.31Å; F1511-I1527 HydrophobicContact CG-CD1 4.5Å; F1511-I1527 HydrophobicContact CG-CG2 3.95Å; F1511-I1527 HydrophobicContact CZ-CG2 4.46Å |
| 1528 | F | 81 | Confident | 65.2 | Low | 43 Ų | 43 | 75.9 Ų | 75.9 | 19% | 0.189 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 119.4 | -178.1 | -59.5 | -84.6 | 0 | 0 | 0 | 109.5 | A1462 L1463 A1466 S1476 V1477 L1479 Y1526 | A1462-F1528 HydrophobicContact CB-CE2 4.39Å; A1462-F1528 HydrophobicContact CB-CZ 4.38Å; L1463-F1528 HydrophobicContact CD1-CD1 4.18Å; L1463-F1528 HydrophobicContact CD1-CE1 3.71Å; A1466-F1528 HydrophobicContact CB-CB 3.77Å; A1466-F1528 HydrophobicContact CB-CD1 4.08Å; A1466-F1528 HydrophobicContact CB-CD2 3.21Å; A1466-F1528 HydrophobicContact CB-CE1 4.46Å; A1466-F1528 HydrophobicContact CB-CE2 3.64Å; A1466-F1528 HydrophobicContact CB-CG 3.44Å; A1466-F1528 VanDerWaalsContact CB-CG 3.44Å; A1466-F1528 HydrophobicContact CB-CZ 4.26Å; S1476-F1528 CarbonylContact C-O 3.58Å; S1476-F1528 WeakPolarHBondContact CA-O 3.42Å; V1477-F1528 PolarHBondContact N-O 3.11Å; V1477-F1528 PolarHBondContact O-N 3.41Å; L1479-F1528 HydrophobicContact CD1-CD2 4.12Å; L1479-F1528 HydrophobicContact CD1-CE2 3.95Å; Y1526-F1528 HydrophobicContact CD1-CZ 4.23Å; Y1526-F1528 HydrophobicContact CG-CE2 4.03Å; Y1526-F1528 HydrophobicContact CG-CZ 4.03Å |
| 1529 | G | 76.2 | Confident | 65.3 | Low | 35 Ų | 35 | 68.7 Ų | 68.7 | 36% | 0.361 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.8 | -177.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | R1470 S1475 | R1470-G1529 VanDerWaalsContact NH1-CA 3.27Å; S1475-G1529 CarbonylContact O-C 3.5Å; S1475-G1529 WeakPolarHBondContact O-CA 3.4Å |
| 1530 | R | 70.5 | Confident | 65.8 | Low | 189 Ų | 189 | 64.4 Ų | 64.4 | 71% | 0.713 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -76.1 | 155.4 | 153.7 | -70.8 | -176.4 | 174.9 | 175.7 | -0.5 | 109 | S1475 S1476 V1532 | S1475-R1530 PolarHBondContact O-N 3.39Å; S1476-R1530 WeakPolarHBondContact CB-O 3.07Å; R1530-V1532 PolarHBondContact O-N 3.46Å |
| 1531 | E | 71.5 | Confident | 66.5 | Low | 106 Ų | 106 | 63.4 Ų | 63.4 | 50% | 0.495 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 125.3 | 167.3 | -72.7 | -164.5 | 127.8 | 0 | 0 | 109.6 | S1506 V1508 F1533 | S1506-E1531 PolarHBondContact OG-OE1 3.45Å; V1508-E1531 HydrophobicContact CB-CG 4.22Å; V1508-E1531 HydrophobicContact CG2-CG 3.8Å; E1531-F1533 HydrophobicContact CB-CE2 4.28Å |
| 1532 | V | 67.4 | Low | 66.8 | Low | 11 Ų | 11 | 56.8 Ų | 56.8 | 7% | 0.067 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -102.3 | 141.3 | 173.1 | -175 | 0 | 0 | 0 | 0 | 107 | S1442 L1443 S1476 F1501 S1506 S1507 R1530 | S1442-V1532 WeakPolarHBondContact O-CG2 3.3Å; L1443-V1532 HydrophobicContact CB-CG1 4.37Å; L1443-V1532 HydrophobicContact CB-CG2 4.49Å; S1476-V1532 VanDerWaalsContact CB-CG2 3.4Å; F1501-V1532 HydrophobicContact CE2-CB 4.49Å; F1501-V1532 WeakPolarHBondContact CE2-O 3.16Å; F1501-V1532 HydrophobicContact CZ-CB 4.29Å; F1501-V1532 HydrophobicContact CZ-CG1 4Å; S1506-V1532 CarbonylContact C-O 3.56Å; S1506-V1532 WeakPolarHBondContact CA-O 3.48Å; S1507-V1532 PolarHBondContact N-O 3.48Å; S1507-V1532 PolarHBondContact OG-N 3.49Å; R1530-V1532 PolarHBondContact O-N 3.46Å |
| 1533 | F | 66 | Low | 66.8 | Low | 103 Ų | 103 | 55 Ų | 55 | 45% | 0.452 | 29% | 0.292 | S | S | . | . | trans | -111.5 | 141.4 | 170.3 | -65.2 | -90 | 0 | 0 | 0 | 108.4 | E1531 N1535 | E1531-F1533 HydrophobicContact CB-CE2 4.28Å; F1533-N1535 VanDerWaalsContact CB-OD1 3.24Å; F1533-N1535 WeakPolarHBondContact CB-OD1 3.24Å; F1533-N1535 PolarHBondContact O-N 3.25Å | ||
| 1534 | F | 61 | Low | 67.1 | Low | 35 Ų | 35 | 54.7 Ų | 54.7 | 15% | 0.154 | 29% | 0.29 | C | S | . | . | trans | -74.8 | 76.6 | 170 | -167.6 | -117.8 | 0 | 0 | 0 | 109.8 | L1378 I1402 F1501 V1502 N1536 | L1378-F1534 HydrophobicContact CD2-CE2 3.99Å; L1378-F1534 HydrophobicContact CD2-CZ 3.89Å; I1402-F1534 HydrophobicContact CD1-CD2 3.46Å; I1402-F1534 VanDerWaalsContact CD1-CD2 3.46Å; I1402-F1534 HydrophobicContact CD1-CE2 3.43Å; I1402-F1534 VanDerWaalsContact CD1-CE2 3.43Å; F1501-F1534 HydrophobicContact CD1-CB 4Å; F1501-F1534 HydrophobicContact CD1-CD2 4.49Å; F1501-F1534 HydrophobicContact CD1-CG 4.46Å; F1501-F1534 HydrophobicContact CE1-CB 3.85Å; F1501-F1534 HydrophobicContact CE1-CD2 4.1Å; F1501-F1534 HydrophobicContact CE1-CG 4.35Å; F1501-F1534 HydrophobicContact CG-CB 4.48Å; F1501-F1534 HydrophobicContact CZ-CB 4.18Å; F1501-F1534 WeakPolarHBondContact O-CB 3.36Å; V1502-F1534 HydrophobicContact CG2-CD1 4.4Å; V1502-F1534 HydrophobicContact CG2-CE1 4.39Å; F1534-N1536 HydrophobicContact CD1-CB 4.24Å; F1534-N1536 HydrophobicContact CE1-CB 3.79Å; F1534-N1536 HydrophobicContact CZ-CB 4.11Å; F1534-N1536 PolarHBondContact O-N 2.96Å | ||
| 1535 | N | 54.4 | Low | 67.3 | Low | 59 Ų | 59 | 52.2 Ų | 52.2 | 32% | 0.316 | 28% | 0.275 | S | S | . | . | trans | -80.2 | 58.5 | 178.7 | -73.3 | 2.5 | 0 | 0 | 0 | 110.7 | R1401 F1533 K1537 | R1401-N1535 PolarHBondContact NH1-O 3.32Å; F1533-N1535 VanDerWaalsContact CB-OD1 3.24Å; F1533-N1535 WeakPolarHBondContact CB-OD1 3.24Å; F1533-N1535 PolarHBondContact O-N 3.25Å; N1535-K1537 PolarHBondContact O-N 3.17Å | ||
| 1536 | N | 56.5 | Low | 66.8 | Low | 70 Ų | 70 | 60.2 Ų | 60.2 | 37% | 0.374 | 30% | 0.304 | S | S | . | . | trans | -78.7 | 104.3 | 157.7 | -172.8 | -0.6 | 0 | 0 | 0 | 107 | F1534 A1538 T1539 L1540 | F1534-N1536 HydrophobicContact CD1-CB 4.24Å; F1534-N1536 HydrophobicContact CE1-CB 3.79Å; F1534-N1536 HydrophobicContact CZ-CB 4.11Å; F1534-N1536 PolarHBondContact O-N 2.96Å; N1536-A1538 PolarHBondContact O-N 3.31Å; N1536-A1538 PolarHBondContact OD1-N 3.17Å; N1536-T1539 HydrophobicContact CB-CG2 4.13Å; N1536-T1539 WeakPolarHBondContact CB-OG1 3.46Å; N1536-T1539 PolarHBondContact O-N 3.34Å; N1536-T1539 PolarHBondContact O-OG1 3.44Å; N1536-L1540 PolarHBondContact O-N 3.41Å | ||
| 1537 | K | 55.6 | Low | 66.4 | Low | 80 Ų | 80 | 60.2 Ų | 60.2 | 35% | 0.348 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -52.6 | -32.8 | -173.4 | -56.1 | 177.6 | -169.8 | -173.8 | 0 | 111.8 | N1535 I1541 D1628 L1630 | N1535-K1537 PolarHBondContact O-N 3.17Å; K1537-I1541 WeakPolarHBondContact O-CG1 3.35Å; K1537-D1628 VanDerWaalsContact CD-O 3.25Å; K1537-D1628 WeakPolarHBondContact CD-O 3.45Å; K1537-D1628 WeakPolarHBondContact CE-O 3.25Å; K1537-D1628 PolarHBondContact NZ-O 2.79Å; K1537-L1630 HydrophobicContact CB-CD2 4.02Å; K1537-L1630 HydrophobicContact CG-CD2 4.08Å |
| 1538 | A | 55.5 | Low | 66 | Low | 39 Ų | 39 | 58.4 Ų | 58.4 | 32% | 0.322 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -75.4 | -33.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | N1536 G1542 | N1536-A1538 PolarHBondContact O-N 3.31Å; N1536-A1538 PolarHBondContact OD1-N 3.17Å; A1538-G1542 WeakPolarHBondContact O-CA 3.27Å; A1538-G1542 PolarHBondContact O-N 3.01Å |
| 1539 | T | 57.7 | Low | 65.5 | Low | 43 Ų | 43 | 58.2 Ų | 58.2 | 26% | 0.264 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -75.9 | -36.1 | -177.4 | 52.4 | 0 | 0 | 0 | 0 | 112.6 | N1536 A1543 | N1536-T1539 HydrophobicContact CB-CG2 4.13Å; N1536-T1539 WeakPolarHBondContact CB-OG1 3.46Å; N1536-T1539 PolarHBondContact O-N 3.34Å; N1536-T1539 PolarHBondContact O-OG1 3.44Å; T1539-A1543 WeakPolarHBondContact O-CB 3.41Å; T1539-A1543 PolarHBondContact O-N 3.42Å |
| 1540 | L | 60.8 | Low | 65.2 | Low | 54 Ų | 54 | 60.2 Ų | 60.2 | 28% | 0.283 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.2 | -46.2 | 174.9 | -72.1 | 172.3 | 0 | 0 | 0 | 111.3 | N1536 A1544 A1605 | N1536-L1540 PolarHBondContact O-N 3.41Å; L1540-A1544 WeakPolarHBondContact O-CB 3.42Å; L1540-A1544 PolarHBondContact O-N 2.99Å; L1540-A1544 VanDerWaalsContact O-N 3.08Å; L1540-A1605 HydrophobicContact CB-CB 4.44Å |
| 1541 | I | 68.3 | Low | 65 | Low | 3 Ų | 3 | 54.6 Ų | 54.6 | 2% | 0.015 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68 | -43.6 | 176.7 | -60.3 | -179.7 | 0 | 0 | 0 | 110.5 | K1537 A1543 A1544 L1545 L1602 V1606 H1633 V1637 | K1537-I1541 WeakPolarHBondContact O-CG1 3.35Å; I1541-A1543 PolarHBondContact O-N 3.04Å; I1541-A1544 PolarHBondContact O-N 3.35Å; I1541-L1545 HydrophobicContact CG2-CD1 3.84Å; I1541-L1545 HydrophobicContact CG2-CG 4.25Å; I1541-L1545 WeakPolarHBondContact O-CB 3.31Å; I1541-L1545 VanDerWaalsContact O-CG 3.26Å; I1541-L1545 WeakPolarHBondContact O-CG 2.98Å; I1541-L1545 PolarHBondContact O-N 3.48Å; I1541-L1602 HydrophobicContact CG2-CD1 4.29Å; I1541-V1606 HydrophobicContact CD1-CG2 4.37Å; I1541-V1606 HydrophobicContact CG1-CG2 4.41Å; I1541-H1633 HydrophobicContact CD1-CB 4.37Å; I1541-V1637 HydrophobicContact CG2-CB 4.46Å; I1541-V1637 HydrophobicContact CG2-CG1 4.12Å |
| 1542 | G | 63.1 | Low | 64.5 | Low | 26 Ų | 26 | 52.1 Ų | 52.1 | 27% | 0.268 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.9 | -42.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A1538 L1545 R1546 | A1538-G1542 WeakPolarHBondContact O-CA 3.27Å; A1538-G1542 PolarHBondContact O-N 3.01Å; G1542-L1545 PolarHBondContact O-N 3.28Å; G1542-R1546 PolarHBondContact O-N 3.42Å |
| 1543 | A | 64 | Low | 64.4 | Low | 66 Ų | 66 | 58.7 Ų | 58.7 | 55% | 0.545 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.5 | -39.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | T1539 I1541 R1546 P1547 | T1539-A1543 WeakPolarHBondContact O-CB 3.41Å; T1539-A1543 PolarHBondContact O-N 3.42Å; I1541-A1543 PolarHBondContact O-N 3.04Å; A1543-R1546 WeakPolarHBondContact O-CB 3.25Å; A1543-R1546 PolarHBondContact O-N 3.41Å; A1543-P1547 WeakPolarHBondContact O-CD 3.41Å |
| 1544 | A | 69.6 | Low | 64.3 | Low | 6 Ų | 6 | 58 Ų | 58 | 5% | 0.05 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -71.3 | -26.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1540 I1541 P1547 N1601 L1602 A1605 | L1540-A1544 WeakPolarHBondContact O-CB 3.42Å; L1540-A1544 PolarHBondContact O-N 2.99Å; L1540-A1544 VanDerWaalsContact O-N 3.08Å; I1541-A1544 PolarHBondContact O-N 3.35Å; A1544-P1547 VanDerWaalsContact O-CD 3.32Å; A1544-P1547 WeakPolarHBondContact O-CD 3.41Å; A1544-N1601 HydrophobicContact CB-CB 4.13Å; A1544-L1602 HydrophobicContact CB-CB 4.4Å; A1544-L1602 HydrophobicContact CB-CD1 4.48Å; A1544-A1605 HydrophobicContact CB-CB 3.99Å |
| 1545 | L | 73.2 | Confident | 64.9 | Low | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -77.5 | -25.9 | 175.3 | -75.1 | 169.6 | 0 | 0 | 0 | 112.9 | I1541 G1542 P1547 L1548 L1549 F1559 L1602 V1637 L1641 L1667 | I1541-L1545 HydrophobicContact CG2-CD1 3.84Å; I1541-L1545 HydrophobicContact CG2-CG 4.25Å; I1541-L1545 WeakPolarHBondContact O-CB 3.31Å; I1541-L1545 VanDerWaalsContact O-CG 3.26Å; I1541-L1545 WeakPolarHBondContact O-CG 2.98Å; I1541-L1545 PolarHBondContact O-N 3.48Å; G1542-L1545 PolarHBondContact O-N 3.28Å; L1545-P1547 VanDerWaalsContact C-CD 3.48Å; L1545-L1548 PolarHBondContact O-N 3.43Å; L1545-L1548 VanDerWaalsContact O-N 3.11Å; L1545-L1549 HydrophobicContact CB-CD1 4.07Å; L1545-L1549 HydrophobicContact CB-CG 4.45Å; L1545-L1549 WeakPolarHBondContact O-CB 3.47Å; L1545-L1549 WeakPolarHBondContact O-CG 3.34Å; L1545-L1549 PolarHBondContact O-N 2.95Å; L1545-F1559 HydrophobicContact CD2-CE1 3.67Å; L1545-F1559 HydrophobicContact CD2-CZ 4.11Å; L1545-L1602 HydrophobicContact CD2-CD1 3.98Å; L1545-L1602 HydrophobicContact CG-CD1 4.19Å; L1545-V1637 HydrophobicContact CD1-CG1 3.79Å; L1545-L1641 HydrophobicContact CD1-CD1 3.86Å; L1545-L1641 HydrophobicContact CD2-CD1 3.85Å; L1545-L1667 HydrophobicContact CD1-CD1 4.32Å |
| 1546 | R | 67.7 | Low | 66 | Low | 200 Ų | 200 | 62 Ų | 62 | 76% | 0.755 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -53.8 | -43.9 | -176.1 | -160 | -178.8 | -161.8 | 163.6 | 6.2 | 114.7 | G1542 A1543 | G1542-R1546 PolarHBondContact O-N 3.42Å; A1543-R1546 WeakPolarHBondContact O-CB 3.25Å; A1543-R1546 PolarHBondContact O-N 3.41Å |
| 1547 | P | 71.6 | Confident | 67 | Low | 57 Ų | 57 | 64.6 Ų | 64.6 | 37% | 0.37 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -71.2 | -35.8 | 177.2 | -12.3 | 27.8 | 0 | 0 | 0 | 112.4 | A1543 A1544 L1545 A1550 | A1543-P1547 WeakPolarHBondContact O-CD 3.41Å; A1544-P1547 VanDerWaalsContact O-CD 3.32Å; A1544-P1547 WeakPolarHBondContact O-CD 3.41Å; L1545-P1547 VanDerWaalsContact C-CD 3.48Å; P1547-A1550 WeakPolarHBondContact O-CB 3.41Å; P1547-A1550 PolarHBondContact O-N 3.03Å |
| 1548 | L | 73.5 | Confident | 68.3 | Low | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.7 | -49.5 | 178.7 | -70.9 | 166.7 | 0 | 0 | 0 | 110.1 | L1545 A1550 T1551 C1555 T1558 F1559 V1596 G1597 W1599 L1602 | L1545-L1548 PolarHBondContact O-N 3.43Å; L1545-L1548 VanDerWaalsContact O-N 3.11Å; L1548-A1550 PolarHBondContact O-N 2.93Å; L1548-T1551 PolarHBondContact O-N 2.9Å; L1548-T1551 VanDerWaalsContact O-N 3.1Å; L1548-T1551 PolarHBondContact O-OG1 3.4Å; L1548-C1555 PolarHBondContact O-SG 2.82Å; L1548-T1558 HydrophobicContact CD2-CG2 3.85Å; L1548-F1559 HydrophobicContact CB-CE1 4.14Å; L1548-F1559 HydrophobicContact CB-CZ 4.38Å; L1548-F1559 HydrophobicContact CD1-CE1 4.01Å; L1548-V1596 HydrophobicContact CD2-CG1 3.97Å; L1548-G1597 VanDerWaalsContact CD2-O 3.29Å; L1548-G1597 WeakPolarHBondContact CD2-O 3.49Å; L1548-W1599 HydrophobicContact CD2-CB 4.41Å; L1548-L1602 HydrophobicContact CD1-CB 4.16Å; L1548-L1602 HydrophobicContact CD1-CD2 3.97Å |
| 1549 | L | 70.4 | Confident | 69.8 | Low | 40 Ų | 40 | 59.7 Ų | 59.7 | 21% | 0.209 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -11.8 | 179.5 | -67.8 | 172.2 | 0 | 0 | 0 | 114.1 | L1545 T1551 F1559 | L1545-L1549 HydrophobicContact CB-CD1 4.07Å; L1545-L1549 HydrophobicContact CB-CG 4.45Å; L1545-L1549 WeakPolarHBondContact O-CB 3.47Å; L1545-L1549 WeakPolarHBondContact O-CG 3.34Å; L1545-L1549 PolarHBondContact O-N 2.95Å; L1549-T1551 VanDerWaalsContact C-N 3.32Å; L1549-F1559 HydrophobicContact CD2-CE2 4.41Å; L1549-F1559 HydrophobicContact CD2-CZ 4.06Å |
| 1550 | A | 70 | Confident | 71.1 | Confident | 77 Ų | 77 | 62 Ų | 62 | 64% | 0.636 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -22.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | P1547 L1548 | P1547-A1550 WeakPolarHBondContact O-CB 3.41Å; P1547-A1550 PolarHBondContact O-N 3.03Å; L1548-A1550 PolarHBondContact O-N 2.93Å |
| 1551 | T | 66.4 | Low | 72.4 | Confident | 70 Ų | 70 | 60.6 Ų | 60.6 | 43% | 0.429 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -125.3 | 72.2 | 179.7 | 50.8 | 0 | 0 | 0 | 0 | 111 | L1548 L1549 D1553 D1554 C1555 | L1548-T1551 PolarHBondContact O-N 2.9Å; L1548-T1551 VanDerWaalsContact O-N 3.1Å; L1548-T1551 PolarHBondContact O-OG1 3.4Å; L1549-T1551 VanDerWaalsContact C-N 3.32Å; T1551-D1553 VanDerWaalsContact C-N 3.31Å; T1551-D1553 PolarHBondContact O-N 3.22Å; T1551-D1554 PolarHBondContact O-N 2.92Å; T1551-C1555 VanDerWaalsContact C-SG 3.6Å; T1551-C1555 PolarHBondContact O-SG 3.32Å |
| 1552 | P | 62.8 | Low | 73.3 | Confident | 54 Ų | 54 | 60.7 Ų | 60.7 | 35% | 0.351 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -29 | -165.6 | 22.4 | -33.2 | 0 | 0 | 0 | 115.3 | D1554 C1555 L1660 | P1552-D1554 VanDerWaalsContact C-N 3.33Å; P1552-D1554 PolarHBondContact O-N 3.42Å; P1552-C1555 VanDerWaalsContact CA-SG 3.56Å; P1552-C1555 PolarHBondContact O-N 3.06Å; P1552-L1660 HydrophobicContact CB-CD1 3.83Å; P1552-L1660 HydrophobicContact CB-CD2 4.13Å; P1552-L1660 HydrophobicContact CG-CD1 4.25Å |
| 1553 | D | 64 | Low | 74.6 | Confident | 150 Ų | 150 | 59.5 Ų | 59.5 | 80% | 0.802 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -30.9 | -173.6 | -66.2 | -34.4 | 0 | 0 | 0 | 112.9 | T1551 | T1551-D1553 VanDerWaalsContact C-N 3.31Å; T1551-D1553 PolarHBondContact O-N 3.22Å |
| 1554 | D | 64.9 | Low | 75.8 | Confident | 87 Ų | 87 | 61.4 Ų | 61.4 | 47% | 0.465 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -2.9 | -177.9 | -54.7 | -46.5 | 0 | 0 | 0 | 113.5 | T1551 P1552 R1556 T1558 V1596 | T1551-D1554 PolarHBondContact O-N 2.92Å; P1552-D1554 VanDerWaalsContact C-N 3.33Å; P1552-D1554 PolarHBondContact O-N 3.42Å; D1554-R1556 VanDerWaalsContact C-N 3.3Å; D1554-R1556 PolarHBondContact O-N 2.92Å; D1554-T1558 PolarHBondContact O-OG1 2.94Å; D1554-V1596 HydrophobicContact CB-CG2 3.54Å |
| 1555 | C | 72.8 | Confident | 76.9 | Confident | 5 Ų | 5 | 61.9 Ų | 61.9 | 3% | 0.034 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.8 | -29.8 | -177.2 | -68.2 | 0 | 0 | 0 | 0 | 113.7 | L1548 T1551 P1552 E1557 T1558 F1559 | L1548-C1555 PolarHBondContact O-SG 2.82Å; T1551-C1555 VanDerWaalsContact C-SG 3.6Å; T1551-C1555 PolarHBondContact O-SG 3.32Å; P1552-C1555 VanDerWaalsContact CA-SG 3.56Å; P1552-C1555 PolarHBondContact O-N 3.06Å; C1555-E1557 PolarHBondContact O-N 2.67Å; C1555-T1558 VanDerWaalsContact O-CB 3.32Å; C1555-T1558 WeakPolarHBondContact O-CB 3.32Å; C1555-T1558 PolarHBondContact O-N 2.97Å; C1555-F1559 HydrophobicContact CB-CD2 4.09Å; C1555-F1559 HydrophobicContact CB-CE2 3.69Å; C1555-F1559 HydrophobicContact CB-CZ 4.02Å; C1555-F1559 WeakPolarHBondContact O-CD2 3.4Å; C1555-F1559 VanDerWaalsContact O-CG 3.32Å; C1555-F1559 WeakPolarHBondContact O-CG 3.49Å; C1555-F1559 PolarHBondContact O-N 3.43Å |
| 1556 | R | 78.1 | Confident | 77.7 | Confident | 175 Ų | 175 | 61.9 Ų | 61.9 | 66% | 0.66 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -66.4 | -43.6 | -164.3 | -169.3 | 178.8 | -175.8 | -171.1 | 0.2 | 112.2 | D1554 Q1560 L1642 | D1554-R1556 VanDerWaalsContact C-N 3.3Å; D1554-R1556 PolarHBondContact O-N 2.92Å; R1556-Q1560 WeakPolarHBondContact O-CG 3.36Å; R1556-Q1560 PolarHBondContact O-N 3.41Å; R1556-Q1560 VanDerWaalsContact O-N 3.08Å; R1556-L1642 HydrophobicContact CG-CD2 4.23Å |
| 1557 | E | 77.3 | Confident | 78.7 | Confident | 124 Ų | 124 | 55.3 Ų | 55.3 | 58% | 0.579 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -66.5 | -41.9 | 175.5 | -66.8 | -174 | 166.7 | 0 | 0 | 110.5 | C1555 F1559 Q1560 V1561 | C1555-E1557 PolarHBondContact O-N 2.67Å; E1557-F1559 PolarHBondContact O-N 3.32Å; E1557-Q1560 WeakPolarHBondContact O-CB 3.37Å; E1557-Q1560 PolarHBondContact O-N 3.16Å; E1557-Q1560 VanDerWaalsContact O-N 3.12Å; E1557-V1561 WeakPolarHBondContact O-CG2 3.49Å; E1557-V1561 PolarHBondContact O-N 2.93Å |
| 1558 | T | 83 | Confident | 79.5 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -55.8 | -48.4 | 174.7 | -49.4 | 0 | 0 | 0 | 0 | 112.4 | L1548 D1554 C1555 Q1560 V1561 A1562 V1592 V1596 W1599 | L1548-T1558 HydrophobicContact CD2-CG2 3.85Å; D1554-T1558 PolarHBondContact O-OG1 2.94Å; C1555-T1558 VanDerWaalsContact O-CB 3.32Å; C1555-T1558 WeakPolarHBondContact O-CB 3.32Å; C1555-T1558 PolarHBondContact O-N 2.97Å; T1558-Q1560 VanDerWaalsContact C-N 3.34Å; T1558-Q1560 PolarHBondContact O-N 3.25Å; T1558-V1561 PolarHBondContact O-N 2.86Å; T1558-A1562 WeakPolarHBondContact O-CB 3.45Å; T1558-A1562 PolarHBondContact O-N 3.43Å; T1558-V1592 HydrophobicContact CG2-CG1 3.79Å; T1558-V1592 HydrophobicContact CG2-CG2 4.5Å; T1558-V1592 WeakPolarHBondContact OG1-CG1 3.41Å; T1558-V1596 HydrophobicContact CG2-CG1 4.47Å; T1558-W1599 HydrophobicContact CG2-CB 3.63Å; T1558-W1599 HydrophobicContact CG2-CG 4.45Å |
| 1559 | F | 86.4 | Confident | 80.2 | Confident | 14 Ų | 14 | 56.2 Ų | 56.2 | 6% | 0.061 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65 | -35.8 | 176.6 | -67.2 | -26.1 | 0 | 0 | 0 | 112.4 | L1545 L1548 L1549 C1555 E1557 L1563 L1638 L1641 L1642 | L1545-F1559 HydrophobicContact CD2-CE1 3.67Å; L1545-F1559 HydrophobicContact CD2-CZ 4.11Å; L1548-F1559 HydrophobicContact CB-CE1 4.14Å; L1548-F1559 HydrophobicContact CB-CZ 4.38Å; L1548-F1559 HydrophobicContact CD1-CE1 4.01Å; L1549-F1559 HydrophobicContact CD2-CE2 4.41Å; L1549-F1559 HydrophobicContact CD2-CZ 4.06Å; C1555-F1559 HydrophobicContact CB-CD2 4.09Å; C1555-F1559 HydrophobicContact CB-CE2 3.69Å; C1555-F1559 HydrophobicContact CB-CZ 4.02Å; C1555-F1559 WeakPolarHBondContact O-CD2 3.4Å; C1555-F1559 VanDerWaalsContact O-CG 3.32Å; C1555-F1559 WeakPolarHBondContact O-CG 3.49Å; C1555-F1559 PolarHBondContact O-N 3.43Å; E1557-F1559 PolarHBondContact O-N 3.32Å; F1559-L1563 WeakPolarHBondContact O-CB 3.39Å; F1559-L1563 PolarHBondContact O-N 3.44Å; F1559-L1638 HydrophobicContact CB-CD2 4.03Å; F1559-L1638 HydrophobicContact CD1-CD2 3.63Å; F1559-L1638 HydrophobicContact CE1-CD2 4.36Å; F1559-L1638 HydrophobicContact CG-CD2 3.99Å; F1559-L1641 HydrophobicContact CE2-CD1 4.44Å; F1559-L1641 HydrophobicContact CZ-CD1 4.33Å; F1559-L1642 HydrophobicContact CB-CD1 4.16Å; F1559-L1642 HydrophobicContact CB-CD2 3.96Å; F1559-L1642 HydrophobicContact CB-CG 4.06Å |
| 1560 | Q | 85.2 | Confident | 80.9 | Confident | 91 Ų | 91 | 55.4 Ų | 55.4 | 43% | 0.425 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.3 | -42.5 | 175.6 | -74.2 | 178.1 | 8.7 | 0 | 0 | 112.2 | R1556 E1557 T1558 H1564 L1642 | R1556-Q1560 WeakPolarHBondContact O-CG 3.36Å; R1556-Q1560 PolarHBondContact O-N 3.41Å; R1556-Q1560 VanDerWaalsContact O-N 3.08Å; E1557-Q1560 WeakPolarHBondContact O-CB 3.37Å; E1557-Q1560 PolarHBondContact O-N 3.16Å; E1557-Q1560 VanDerWaalsContact O-N 3.12Å; T1558-Q1560 VanDerWaalsContact C-N 3.34Å; T1558-Q1560 PolarHBondContact O-N 3.25Å; Q1560-H1564 WeakPolarHBondContact O-CB 3.43Å; Q1560-H1564 PolarHBondContact O-N 3.22Å; Q1560-L1642 HydrophobicContact CG-CD1 4.15Å; Q1560-L1642 HydrophobicContact CG-CD2 3.9Å |
| 1561 | V | 88.3 | Confident | 81.8 | Confident | 25 Ų | 25 | 58 Ų | 58 | 15% | 0.152 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.7 | -46.3 | 176.9 | 176.2 | 0 | 0 | 0 | 0 | 110.4 | E1557 T1558 H1564 L1565 I1588 K1591 V1592 | E1557-V1561 WeakPolarHBondContact O-CG2 3.49Å; E1557-V1561 PolarHBondContact O-N 2.93Å; T1558-V1561 PolarHBondContact O-N 2.86Å; V1561-H1564 PolarHBondContact O-N 2.92Å; V1561-L1565 HydrophobicContact CG1-CD1 4.32Å; V1561-L1565 WeakPolarHBondContact O-CG 3.31Å; V1561-L1565 PolarHBondContact O-N 3.32Å; V1561-I1588 HydrophobicContact CG1-CG2 4.44Å; V1561-K1591 HydrophobicContact CG1-CB 4.4Å; V1561-K1591 HydrophobicContact CG2-CB 3.8Å; V1561-V1592 HydrophobicContact CB-CG2 4.1Å; V1561-V1592 HydrophobicContact CG1-CG2 4.01Å; V1561-V1592 HydrophobicContact CG2-CG2 4.31Å |
| 1562 | A | 87.9 | Confident | 82.7 | Confident | 5 Ų | 5 | 56.4 Ų | 56.4 | 4% | 0.041 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61 | -47 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | T1558 H1564 L1565 I1566 L1602 L1638 | T1558-A1562 WeakPolarHBondContact O-CB 3.45Å; T1558-A1562 PolarHBondContact O-N 3.43Å; A1562-H1564 VanDerWaalsContact C-N 3.31Å; A1562-H1564 PolarHBondContact O-N 3.22Å; A1562-L1565 PolarHBondContact O-N 2.91Å; A1562-I1566 WeakPolarHBondContact O-CB 3.32Å; A1562-I1566 WeakPolarHBondContact O-CD1 3.35Å; A1562-I1566 VanDerWaalsContact O-CG1 3.23Å; A1562-I1566 WeakPolarHBondContact O-CG1 3.32Å; A1562-I1566 PolarHBondContact O-N 3.05Å; A1562-L1602 HydrophobicContact CB-CD2 3.81Å; A1562-L1638 HydrophobicContact CB-CD1 3.96Å |
| 1563 | L | 89.4 | Confident | 83.8 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.7 | -43.8 | 176.8 | 178.4 | 63.8 | 0 | 0 | 0 | 111.1 | F1559 L1565 I1566 E1567 L1638 Q1639 L1642 K1644 | F1559-L1563 WeakPolarHBondContact O-CB 3.39Å; F1559-L1563 PolarHBondContact O-N 3.44Å; L1563-L1565 PolarHBondContact O-N 3.01Å; L1563-I1566 PolarHBondContact O-N 3.36Å; L1563-E1567 HydrophobicContact CD1-CG 3.82Å; L1563-E1567 HydrophobicContact CG-CG 4.18Å; L1563-E1567 WeakPolarHBondContact O-CB 3.36Å; L1563-E1567 WeakPolarHBondContact O-CG 3.32Å; L1563-E1567 PolarHBondContact O-N 3.46Å; L1563-L1638 HydrophobicContact CB-CB 4.16Å; L1563-L1638 HydrophobicContact CB-CD1 4.25Å; L1563-L1638 HydrophobicContact CD1-CB 3.98Å; L1563-Q1639 HydrophobicContact CD1-CG 3.8Å; L1563-Q1639 HydrophobicContact CD2-CG 4.02Å; L1563-L1642 HydrophobicContact CB-CD1 4.15Å; L1563-L1642 HydrophobicContact CD2-CD1 3.57Å; L1563-L1642 HydrophobicContact CG-CD1 4.48Å; L1563-K1644 HydrophobicContact CD2-CD 4.12Å |
| 1564 | H | 90 | Very high | 84.6 | Confident | 106 Ų | 106 | 56.5 Ų | 56.5 | 49% | 0.491 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62 | -42.5 | 178.6 | -179.8 | 68.9 | 0 | 0 | 0 | 112.7 | Q1560 V1561 A1562 K1568 | Q1560-H1564 WeakPolarHBondContact O-CB 3.43Å; Q1560-H1564 PolarHBondContact O-N 3.22Å; V1561-H1564 PolarHBondContact O-N 2.92Å; A1562-H1564 VanDerWaalsContact C-N 3.31Å; A1562-H1564 PolarHBondContact O-N 3.22Å; H1564-K1568 VanDerWaalsContact O-CB 3.29Å; H1564-K1568 WeakPolarHBondContact O-CB 3.24Å; H1564-K1568 PolarHBondContact O-N 3.25Å; H1564-K1568 VanDerWaalsContact O-N 3.1Å |
| 1565 | L | 91.9 | Very high | 85.4 | Confident | 17 Ų | 17 | 56.8 Ų | 56.8 | 9% | 0.089 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.7 | -44.5 | 176.4 | -67.1 | 172.4 | 0 | 0 | 0 | 111.1 | V1561 A1562 L1563 K1568 S1569 I1588 L1603 F1608 F1622 | V1561-L1565 HydrophobicContact CG1-CD1 4.32Å; V1561-L1565 WeakPolarHBondContact O-CG 3.31Å; V1561-L1565 PolarHBondContact O-N 3.32Å; A1562-L1565 PolarHBondContact O-N 2.91Å; L1563-L1565 PolarHBondContact O-N 3.01Å; L1565-K1568 PolarHBondContact O-N 2.85Å; L1565-S1569 PolarHBondContact O-N 3.38Å; L1565-S1569 PolarHBondContact O-OG 3.38Å; L1565-I1588 HydrophobicContact CD1-CD1 4.14Å; L1565-I1588 HydrophobicContact CD1-CG1 4.34Å; L1565-L1603 HydrophobicContact CD1-CD1 4.14Å; L1565-L1603 HydrophobicContact CD1-CD2 4.2Å; L1565-F1608 HydrophobicContact CB-CE1 4.23Å; L1565-F1608 HydrophobicContact CB-CZ 3.93Å; L1565-F1622 HydrophobicContact CD2-CE1 4.25Å; L1565-F1622 HydrophobicContact CD2-CZ 3.65Å |
| 1566 | I | 89.7 | Confident | 85.5 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.1 | -45.6 | -179.2 | -68.9 | 164.6 | 0 | 0 | 0 | 111.6 | A1562 L1563 K1568 S1569 L1570 V1606 F1608 V1631 L1638 | A1562-I1566 WeakPolarHBondContact O-CB 3.32Å; A1562-I1566 WeakPolarHBondContact O-CD1 3.35Å; A1562-I1566 VanDerWaalsContact O-CG1 3.23Å; A1562-I1566 WeakPolarHBondContact O-CG1 3.32Å; A1562-I1566 PolarHBondContact O-N 3.05Å; L1563-I1566 PolarHBondContact O-N 3.36Å; I1566-K1568 VanDerWaalsContact C-N 3.27Å; I1566-K1568 PolarHBondContact O-N 2.94Å; I1566-S1569 VanDerWaalsContact C-OG 3.32Å; I1566-S1569 VanDerWaalsContact CA-OG 3.3Å; I1566-S1569 WeakPolarHBondContact CA-OG 3.37Å; I1566-S1569 PolarHBondContact O-N 3.25Å; I1566-S1569 PolarHBondContact O-OG 2.96Å; I1566-L1570 PolarHBondContact O-N 2.93Å; I1566-V1606 HydrophobicContact CD1-CB 4.2Å; I1566-V1606 HydrophobicContact CD1-CG1 3.79Å; I1566-V1606 HydrophobicContact CD1-CG2 4.03Å; I1566-V1606 HydrophobicContact CG1-CB 4.48Å; I1566-V1606 HydrophobicContact CG1-CG1 3.78Å; I1566-V1606 HydrophobicContact CG2-CG1 4.11Å; I1566-F1608 HydrophobicContact CG1-CE2 3.85Å; I1566-F1608 HydrophobicContact CG1-CZ 4.46Å; I1566-V1631 HydrophobicContact CG2-CG1 3.77Å; I1566-V1631 VanDerWaalsContact CG2-O 3.22Å; I1566-V1631 WeakPolarHBondContact CG2-O 3.46Å; I1566-L1638 HydrophobicContact CD1-CD1 3.44Å; I1566-L1638 VanDerWaalsContact CD1-CD1 3.44Å |
| 1567 | E | 89.1 | Confident | 85.3 | Confident | 62 Ų | 62 | 55.6 Ų | 55.6 | 29% | 0.29 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.7 | -36 | 175.6 | -76.3 | -179.9 | 167.4 | 0 | 0 | 111.5 | L1563 L1570 Q1571 Q1639 | L1563-E1567 HydrophobicContact CD1-CG 3.82Å; L1563-E1567 HydrophobicContact CG-CG 4.18Å; L1563-E1567 WeakPolarHBondContact O-CB 3.36Å; L1563-E1567 WeakPolarHBondContact O-CG 3.32Å; L1563-E1567 PolarHBondContact O-N 3.46Å; E1567-L1570 PolarHBondContact O-N 3.04Å; E1567-Q1571 WeakPolarHBondContact O-CG 3.44Å; E1567-Q1571 PolarHBondContact O-N 2.87Å; E1567-Q1639 PolarHBondContact OE1-NE2 3.21Å |
| 1568 | K | 89.3 | Confident | 84.9 | Confident | 77 Ų | 77 | 55 Ų | 55 | 34% | 0.335 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -68.2 | -38.4 | 175.1 | -168.4 | 174.3 | -173.7 | 179.5 | 0 | 112.1 | H1564 L1565 I1566 R1572 M1581 F1622 | H1564-K1568 VanDerWaalsContact O-CB 3.29Å; H1564-K1568 WeakPolarHBondContact O-CB 3.24Å; H1564-K1568 PolarHBondContact O-N 3.25Å; H1564-K1568 VanDerWaalsContact O-N 3.1Å; L1565-K1568 PolarHBondContact O-N 2.85Å; I1566-K1568 VanDerWaalsContact C-N 3.27Å; I1566-K1568 PolarHBondContact O-N 2.94Å; K1568-R1572 VanDerWaalsContact O-CG 3.31Å; K1568-R1572 WeakPolarHBondContact O-CG 3.29Å; K1568-R1572 PolarHBondContact O-N 3.05Å; K1568-R1572 VanDerWaalsContact O-N 3.14Å; K1568-M1581 HydrophobicContact CD-SD 4.45Å; K1568-F1622 HydrophobicContact CB-CE1 4.22Å; K1568-F1622 HydrophobicContact CD-CE1 4.26Å; K1568-F1622 HydrophobicContact CG-CE1 4.31Å |
| 1569 | S | 87.8 | Confident | 84.5 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 169.6 | 36.9 | 0 | 0 | 0 | 0 | 112.2 | L1565 I1566 Q1571 R1572 I1573 V1631 | L1565-S1569 PolarHBondContact O-N 3.38Å; L1565-S1569 PolarHBondContact O-OG 3.38Å; I1566-S1569 VanDerWaalsContact C-OG 3.32Å; I1566-S1569 VanDerWaalsContact CA-OG 3.3Å; I1566-S1569 WeakPolarHBondContact CA-OG 3.37Å; I1566-S1569 PolarHBondContact O-N 3.25Å; I1566-S1569 PolarHBondContact O-OG 2.96Å; S1569-Q1571 VanDerWaalsContact C-N 3.33Å; S1569-Q1571 PolarHBondContact O-N 3.16Å; S1569-R1572 PolarHBondContact O-N 2.98Å; S1569-R1572 VanDerWaalsContact O-N 3.15Å; S1569-I1573 WeakPolarHBondContact O-CB 3.36Å; S1569-I1573 VanDerWaalsContact O-CG1 3.22Å; S1569-I1573 WeakPolarHBondContact O-CG1 3.32Å; S1569-I1573 PolarHBondContact O-N 3.12Å; S1569-V1631 VanDerWaalsContact OG-CG1 3.31Å; S1569-V1631 WeakPolarHBondContact OG-CG1 3.43Å |
| 1570 | L | 85.5 | Confident | 83.8 | Confident | 22 Ų | 22 | 66 Ų | 66 | 12% | 0.115 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.5 | -44.1 | 176.5 | -78.9 | 168.6 | 0 | 0 | 0 | 111.9 | I1566 E1567 R1572 I1573 M1574 V1631 F1632 | I1566-L1570 PolarHBondContact O-N 2.93Å; E1567-L1570 PolarHBondContact O-N 3.04Å; L1570-R1572 VanDerWaalsContact C-N 3.33Å; L1570-R1572 PolarHBondContact O-N 3.47Å; L1570-I1573 PolarHBondContact O-N 3.42Å; L1570-M1574 WeakPolarHBondContact O-CB 3.19Å; L1570-M1574 WeakPolarHBondContact O-CG 3.38Å; L1570-M1574 PolarHBondContact O-N 3.45Å; L1570-V1631 HydrophobicContact CD1-CG1 4.43Å; L1570-V1631 HydrophobicContact CD2-CB 4.01Å; L1570-V1631 HydrophobicContact CD2-CG1 3.95Å; L1570-V1631 HydrophobicContact CG-CB 4.27Å; L1570-V1631 HydrophobicContact CG-CG1 3.66Å; L1570-F1632 HydrophobicContact CD2-CB 4.16Å |
| 1571 | Q | 87.2 | Confident | 83.8 | Confident | 133 Ų | 133 | 64.3 Ų | 64.3 | 62% | 0.621 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -57.7 | -46.1 | 175 | -78.9 | -179.3 | -11.1 | 0 | 0 | 111.6 | E1567 S1569 M1574 T1575 | E1567-Q1571 WeakPolarHBondContact O-CG 3.44Å; E1567-Q1571 PolarHBondContact O-N 2.87Å; S1569-Q1571 VanDerWaalsContact C-N 3.33Å; S1569-Q1571 PolarHBondContact O-N 3.16Å; Q1571-M1574 PolarHBondContact O-N 3.27Å; Q1571-T1575 WeakPolarHBondContact O-CB 3.41Å; Q1571-T1575 VanDerWaalsContact O-CG2 3.31Å; Q1571-T1575 WeakPolarHBondContact O-CG2 3.46Å; Q1571-T1575 PolarHBondContact O-N 3.06Å; Q1571-T1575 PolarHBondContact O-OG1 2.87Å |
| 1572 | R | 87.1 | Confident | 83.8 | Confident | 36 Ų | 36 | 68.8 Ų | 68.8 | 14% | 0.136 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.8 | -40.9 | 178.3 | -68.3 | 177.7 | 71.2 | 66.2 | 10.3 | 112.9 | K1568 S1569 L1570 T1575 G1576 E1577 K1579 | K1568-R1572 VanDerWaalsContact O-CG 3.31Å; K1568-R1572 WeakPolarHBondContact O-CG 3.29Å; K1568-R1572 PolarHBondContact O-N 3.05Å; K1568-R1572 VanDerWaalsContact O-N 3.14Å; S1569-R1572 PolarHBondContact O-N 2.98Å; S1569-R1572 VanDerWaalsContact O-N 3.15Å; L1570-R1572 VanDerWaalsContact C-N 3.33Å; L1570-R1572 PolarHBondContact O-N 3.47Å; R1572-T1575 WeakPolarHBondContact CA-OG1 3.27Å; R1572-T1575 PolarHBondContact O-N 3.47Å; R1572-T1575 PolarHBondContact O-OG1 2.92Å; R1572-G1576 PolarHBondContact O-N 3.06Å; R1572-G1576 VanDerWaalsContact O-N 3.07Å; R1572-E1577 HydrophobicContact CB-CB 4.46Å; R1572-E1577 IonicContact CZ-OE2 2.64Å; R1572-E1577 IonicContact NH1-OE2 2.63Å; R1572-E1577 PolarHBondContact NH1-OE2 2.92Å; R1572-E1577 IonicContact NH2-OE2 3.76Å; R1572-E1577 PolarHBondContact O-N 3.37Å; R1572-K1579 PolarHBondContact NH2-O 3.31Å |
| 1573 | I | 84.8 | Confident | 83.8 | Confident | 41 Ų | 41 | 70.1 Ų | 70.1 | 21% | 0.21 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.5 | -43 | 178.1 | -67.1 | 166 | 0 | 0 | 0 | 109.8 | S1569 L1570 G1576 D1626 V1631 | S1569-I1573 WeakPolarHBondContact O-CB 3.36Å; S1569-I1573 VanDerWaalsContact O-CG1 3.22Å; S1569-I1573 WeakPolarHBondContact O-CG1 3.32Å; S1569-I1573 PolarHBondContact O-N 3.12Å; L1570-I1573 PolarHBondContact O-N 3.42Å; I1573-G1576 PolarHBondContact O-N 3.47Å; I1573-D1626 HydrophobicContact CD1-CB 4.07Å; I1573-D1626 HydrophobicContact CG2-CB 4.41Å; I1573-V1631 HydrophobicContact CD1-CG2 4.22Å |
| 1574 | M | 81.6 | Confident | 83.6 | Confident | 164 Ų | 164 | 72.9 Ų | 72.9 | 81% | 0.808 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -68.6 | -31.9 | 176.9 | -70.1 | 179.7 | 75.5 | 0 | 0 | 113.2 | L1570 Q1571 G1576 | L1570-M1574 WeakPolarHBondContact O-CB 3.19Å; L1570-M1574 WeakPolarHBondContact O-CG 3.38Å; L1570-M1574 PolarHBondContact O-N 3.45Å; Q1571-M1574 PolarHBondContact O-N 3.27Å; M1574-G1576 VanDerWaalsContact C-N 3.35Å |
| 1575 | T | 80.3 | Confident | 83.5 | Confident | 93 Ų | 93 | 68.1 Ų | 68.1 | 57% | 0.571 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -84.4 | -6.6 | 175.9 | 58.6 | 0 | 0 | 0 | 0 | 113.7 | Q1571 R1572 E1577 | Q1571-T1575 WeakPolarHBondContact O-CB 3.41Å; Q1571-T1575 VanDerWaalsContact O-CG2 3.31Å; Q1571-T1575 WeakPolarHBondContact O-CG2 3.46Å; Q1571-T1575 PolarHBondContact O-N 3.06Å; Q1571-T1575 PolarHBondContact O-OG1 2.87Å; R1572-T1575 WeakPolarHBondContact CA-OG1 3.27Å; R1572-T1575 PolarHBondContact O-N 3.47Å; R1572-T1575 PolarHBondContact O-OG1 2.92Å; T1575-E1577 VanDerWaalsContact C-N 3.33Å |
| 1576 | G | 76 | Confident | 83.1 | Confident | 54 Ų | 54 | 69.4 Ų | 69.4 | 56% | 0.557 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | 21.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | R1572 I1573 M1574 V1578 | R1572-G1576 PolarHBondContact O-N 3.06Å; R1572-G1576 VanDerWaalsContact O-N 3.07Å; I1573-G1576 PolarHBondContact O-N 3.47Å; M1574-G1576 VanDerWaalsContact C-N 3.35Å; G1576-V1578 WeakPolarHBondContact O-CG2 3.32Å; G1576-V1578 PolarHBondContact O-N 3.03Å; G1576-V1578 VanDerWaalsContact O-N 3.09Å |
| 1577 | E | 74.3 | Confident | 82.9 | Confident | 102 Ų | 102 | 72.5 Ų | 72.5 | 48% | 0.477 | 39% | 0.391 | S | S | . | . | trans | -76.2 | 95.5 | 179.3 | -77 | -174.6 | -156.9 | 0 | 0 | 112.1 | R1572 T1575 K1579 | R1572-E1577 HydrophobicContact CB-CB 4.46Å; R1572-E1577 IonicContact CZ-OE2 2.64Å; R1572-E1577 IonicContact NH1-OE2 2.63Å; R1572-E1577 PolarHBondContact NH1-OE2 2.92Å; R1572-E1577 IonicContact NH2-OE2 3.76Å; R1572-E1577 PolarHBondContact O-N 3.37Å; T1575-E1577 VanDerWaalsContact C-N 3.33Å; E1577-K1579 VanDerWaalsContact C-N 3.31Å; E1577-K1579 PolarHBondContact O-N 3.16Å | ||
| 1578 | V | 68.4 | Low | 82.7 | Confident | 112 Ų | 112 | 69.9 Ų | 69.9 | 68% | 0.679 | 38% | 0.378 | S | S | * | . | trans | -73.9 | -14.5 | -175.6 | -161.8 | 0 | 0 | 0 | 0 | 114.1 | G1576 A1580 Q1624 | G1576-V1578 WeakPolarHBondContact O-CG2 3.32Å; G1576-V1578 PolarHBondContact O-N 3.03Å; G1576-V1578 VanDerWaalsContact O-N 3.09Å; V1578-A1580 PolarHBondContact O-N 2.98Å; V1578-Q1624 PolarHBondContact O-NE2 2.8Å | ||
| 1579 | K | 74.2 | Confident | 82.4 | Confident | 181 Ų | 181 | 72.1 Ų | 72.1 | 79% | 0.787 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -60.1 | 130.3 | -178.7 | -73.3 | -177.3 | 179.9 | 176.4 | 0 | 111.3 | R1572 E1577 M1581 | R1572-K1579 PolarHBondContact NH2-O 3.31Å; E1577-K1579 VanDerWaalsContact C-N 3.31Å; E1577-K1579 PolarHBondContact O-N 3.16Å; K1579-M1581 PolarHBondContact O-N 3.35Å |
| 1580 | A | 72.7 | Confident | 82.2 | Confident | 65 Ų | 65 | 78.8 Ų | 78.8 | 54% | 0.537 | 42% | 0.42 | S | S | . | . | trans | -60.7 | 127.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | V1578 | V1578-A1580 PolarHBondContact O-N 2.98Š| ||
| 1581 | M | 84.8 | Confident | 82 | Confident | 54 Ų | 54 | 84.1 Ų | 84.1 | 27% | 0.266 | 44% | 0.443 | S | S | . | . | trans | -116.3 | 141.8 | 174.3 | -177.3 | 176.4 | -125.6 | 0 | 0 | 108 | K1568 K1579 F1622 | K1568-M1581 HydrophobicContact CD-SD 4.45Å; K1579-M1581 PolarHBondContact O-N 3.35Å; M1581-F1622 HydrophobicContact CB-CB 4.28Å; M1581-F1622 HydrophobicContact CB-CD2 4.07Å; M1581-F1622 HydrophobicContact CB-CG 4.21Å; M1581-F1622 HydrophobicContact CG-CD2 3.85Å; M1581-F1622 HydrophobicContact CG-CE2 4.03Å; M1581-F1622 HydrophobicContact CG-CG 4.27Å; M1581-F1622 WeakPolarHBondContact O-CD2 3.32Å; M1581-F1622 PolarHBondContact O-N 3.45Å; M1581-F1622 HydrophobicContact SD-CD1 4.42Å; M1581-F1622 HydrophobicContact SD-CD2 4.38Å; M1581-F1622 HydrophobicContact SD-CE1 4.33Å; M1581-F1622 HydrophobicContact SD-CE2 4.29Å; M1581-F1622 HydrophobicContact SD-CG 4.45Å; M1581-F1622 HydrophobicContact SD-CZ 4.26Å | ||
| 1582 | F | 87.1 | Confident | 81.4 | Confident | 119 Ų | 119 | 78 Ų | 78 | 52% | 0.522 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 162 | 178.5 | 66.2 | -89.3 | 0 | 0 | 0 | 111.8 | V1619 W1620 Y1621 | F1582-V1619 HydrophobicContact CB-CG1 3.57Å; F1582-V1619 HydrophobicContact CD2-CG1 3.72Å; F1582-V1619 HydrophobicContact CG-CG1 3.88Å; F1582-W1620 CarbonylContact C-O 3.6Å; F1582-W1620 WeakPolarHBondContact CA-O 3.1Å; F1582-Y1621 HydrophobicContact CB-CD1 4.03Å; F1582-Y1621 HydrophobicContact CB-CE1 4.12Å; F1582-Y1621 HydrophobicContact CB-CG 4.48Å |
| 1583 | T | 88.4 | Confident | 80.5 | Confident | 33 Ų | 33 | 77.8 Ų | 77.8 | 20% | 0.202 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 151.2 | 169.7 | -166.7 | 0 | 0 | 0 | 0 | 109.8 | I1588 W1620 F1622 | T1583-I1588 HydrophobicContact CG2-CD1 3.74Å; T1583-I1588 HydrophobicContact CG2-CG1 3.97Å; T1583-W1620 HydrophobicContact CG2-CB 3.99Å; T1583-W1620 PolarHBondContact N-O 3.34Å; T1583-W1620 PolarHBondContact O-N 3.02Å; T1583-F1622 HydrophobicContact CG2-CE2 4.17Å |
| 1584 | N | 86.6 | Confident | 79.4 | Confident | 59 Ų | 59 | 80.6 Ų | 80.6 | 32% | 0.316 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 143.9 | -177.8 | -66 | 3.4 | 0 | 0 | 0 | 110.8 | S1586 C1587 I1588 D1617 | N1584-S1586 VanDerWaalsContact C-N 3.27Å; N1584-S1586 PolarHBondContact O-N 3.47Å; N1584-C1587 WeakPolarHBondContact O-CB 3.47Å; N1584-C1587 PolarHBondContact O-N 3.08Å; N1584-I1588 PolarHBondContact O-N 3.26Å; N1584-D1617 WeakPolarHBondContact CB-OD2 3.47Å |
| 1585 | E | 86.7 | Confident | 78.6 | Confident | 7 Ų | 7 | 81.4 Ų | 81.4 | 3% | 0.033 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -58.1 | -38.6 | 177.2 | 173 | 157.8 | -174.1 | 0 | 0 | 111.5 | C1587 I1588 R1589 W1599 Q1600 R1610 A1618 | E1585-C1587 VanDerWaalsContact C-N 3.32Å; E1585-C1587 PolarHBondContact O-N 3.45Å; E1585-I1588 PolarHBondContact O-N 2.85Å; E1585-R1589 WeakPolarHBondContact O-CB 3.28Å; E1585-R1589 PolarHBondContact O-N 3.23Å; E1585-R1589 IonicContact OE1-CZ 2.96Å; E1585-R1589 IonicContact OE1-NH2 3.8Å; E1585-R1589 PolarHBondContact OE1-NH2 3.26Å; E1585-W1599 HydrophobicContact CG-CH2 3.98Å; E1585-W1599 HydrophobicContact CG-CZ2 4.47Å; E1585-Q1600 PolarHBondContact OE1-NE2 3.47Å; E1585-R1610 IonicContact OE1-NH2 3.91Å; E1585-R1610 IonicContact OE2-CZ 3.82Å; E1585-R1610 IonicContact OE2-NE 3.15Å; E1585-R1610 PolarHBondContact OE2-NE 3.35Å; E1585-R1610 IonicContact OE2-NH2 3.02Å; E1585-R1610 PolarHBondContact OE2-NH2 3.38Å; E1585-A1618 HydrophobicContact CB-CB 4.03Å; E1585-A1618 WeakPolarHBondContact CB-O 3.41Å; E1585-A1618 PolarHBondContact N-O 2.93Å; E1585-A1618 WeakPolarHBondContact OE2-CB 3.46Å |
| 1586 | S | 84.3 | Confident | 78 | Confident | 44 Ų | 44 | 77.6 Ų | 77.6 | 31% | 0.308 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -56.5 | -38.9 | 172.1 | 62.1 | 0 | 0 | 0 | 0 | 114 | N1584 N1590 D1617 | N1584-S1586 VanDerWaalsContact C-N 3.27Å; N1584-S1586 PolarHBondContact O-N 3.47Å; S1586-N1590 WeakPolarHBondContact O-CB 3.48Å; S1586-N1590 PolarHBondContact O-N 3.11Å; S1586-N1590 PolarHBondContact O-ND2 3.25Å; S1586-D1617 WeakPolarHBondContact CB-OD2 3.27Å; S1586-D1617 PolarHBondContact N-OD1 3.32Å; S1586-D1617 PolarHBondContact OG-OD2 3.39Å |
| 1587 | C | 84.5 | Confident | 77.7 | Confident | 64 Ų | 64 | 77.4 Ų | 77.4 | 43% | 0.432 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -68.6 | -36.7 | 177.1 | -74.1 | 0 | 0 | 0 | 0 | 112.7 | N1584 E1585 | N1584-C1587 WeakPolarHBondContact O-CB 3.47Å; N1584-C1587 PolarHBondContact O-N 3.08Å; E1585-C1587 VanDerWaalsContact C-N 3.32Å; E1585-C1587 PolarHBondContact O-N 3.45Å |
| 1588 | I | 85.8 | Confident | 77.8 | Confident | 7 Ų | 7 | 73.2 Ų | 73.2 | 4% | 0.036 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -69.7 | -48.8 | 175.4 | -59 | 176.2 | 0 | 0 | 0 | 109.2 | V1561 L1565 T1583 N1584 E1585 N1590 K1591 V1592 W1599 L1603 W1620 | V1561-I1588 HydrophobicContact CG1-CG2 4.44Å; L1565-I1588 HydrophobicContact CD1-CD1 4.14Å; L1565-I1588 HydrophobicContact CD1-CG1 4.34Å; T1583-I1588 HydrophobicContact CG2-CD1 3.74Å; T1583-I1588 HydrophobicContact CG2-CG1 3.97Å; N1584-I1588 PolarHBondContact O-N 3.26Å; E1585-I1588 PolarHBondContact O-N 2.85Å; I1588-N1590 VanDerWaalsContact C-N 3.29Å; I1588-N1590 PolarHBondContact O-N 3.17Å; I1588-K1591 PolarHBondContact O-N 3.25Å; I1588-V1592 HydrophobicContact CG2-CG2 3.82Å; I1588-V1592 WeakPolarHBondContact O-CG2 3.5Å; I1588-V1592 PolarHBondContact O-N 2.84Å; I1588-W1599 HydrophobicContact CB-CH2 4.27Å; I1588-W1599 HydrophobicContact CB-CZ3 4.26Å; I1588-W1599 HydrophobicContact CD1-CZ3 4.08Å; I1588-W1599 HydrophobicContact CG2-CD2 4.29Å; I1588-W1599 HydrophobicContact CG2-CE3 3.83Å; I1588-W1599 HydrophobicContact CG2-CH2 3.98Å; I1588-W1599 HydrophobicContact CG2-CZ2 4.4Å; I1588-W1599 HydrophobicContact CG2-CZ3 3.67Å; I1588-L1603 HydrophobicContact CD1-CD1 4.01Å; I1588-W1620 HydrophobicContact CD1-CB 4.32Å; I1588-W1620 HydrophobicContact CD1-CD2 4.46Å; I1588-W1620 HydrophobicContact CD1-CG 3.93Å |
| 1589 | R | 83.1 | Confident | 78.5 | Confident | 125 Ų | 125 | 68.5 Ų | 68.5 | 47% | 0.472 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.8 | -37.9 | -178.4 | -160.7 | 179 | -73.4 | 175.7 | -2.2 | 112.3 | E1585 K1591 V1592 G1593 | E1585-R1589 WeakPolarHBondContact O-CB 3.28Å; E1585-R1589 PolarHBondContact O-N 3.23Å; E1585-R1589 IonicContact OE1-CZ 2.96Å; E1585-R1589 IonicContact OE1-NH2 3.8Å; E1585-R1589 PolarHBondContact OE1-NH2 3.26Å; R1589-K1591 VanDerWaalsContact C-N 3.26Å; R1589-K1591 PolarHBondContact O-N 2.66Å; R1589-V1592 PolarHBondContact O-N 3.2Å; R1589-G1593 PolarHBondContact O-N 3.16Å; R1589-G1593 VanDerWaalsContact O-N 3.15Å |
| 1590 | N | 83 | Confident | 79.1 | Confident | 139 Ų | 139 | 62 Ų | 62 | 74% | 0.743 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -64.9 | -24.5 | 174.5 | -74.9 | -13.6 | 0 | 0 | 0 | 114.1 | S1586 I1588 | S1586-N1590 WeakPolarHBondContact O-CB 3.48Å; S1586-N1590 PolarHBondContact O-N 3.11Å; S1586-N1590 PolarHBondContact O-ND2 3.25Å; I1588-N1590 VanDerWaalsContact C-N 3.29Å; I1588-N1590 PolarHBondContact O-N 3.17Å |
| 1591 | K | 80.5 | Confident | 79.4 | Confident | 135 Ų | 135 | 62.6 Ų | 62.6 | 59% | 0.587 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -96.4 | -24.1 | 179.1 | -70.9 | -176.9 | 176.8 | -177.2 | 0 | 113.9 | V1561 I1588 R1589 | V1561-K1591 HydrophobicContact CG1-CB 4.4Å; V1561-K1591 HydrophobicContact CG2-CB 3.8Å; I1588-K1591 PolarHBondContact O-N 3.25Å; R1589-K1591 VanDerWaalsContact C-N 3.26Å; R1589-K1591 PolarHBondContact O-N 2.66Å |
| 1592 | V | 75.9 | Confident | 79.4 | Confident | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.024 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -88.5 | -21 | -178.9 | 171.8 | 0 | 0 | 0 | 0 | 111.9 | T1558 V1561 I1588 R1589 V1596 W1599 | T1558-V1592 HydrophobicContact CG2-CG1 3.79Å; T1558-V1592 HydrophobicContact CG2-CG2 4.5Å; T1558-V1592 WeakPolarHBondContact OG1-CG1 3.41Å; V1561-V1592 HydrophobicContact CB-CG2 4.1Å; V1561-V1592 HydrophobicContact CG1-CG2 4.01Å; V1561-V1592 HydrophobicContact CG2-CG2 4.31Å; I1588-V1592 HydrophobicContact CG2-CG2 3.82Å; I1588-V1592 WeakPolarHBondContact O-CG2 3.5Å; I1588-V1592 PolarHBondContact O-N 2.84Å; R1589-V1592 PolarHBondContact O-N 3.2Å; V1592-V1596 HydrophobicContact CG1-CB 4.07Å; V1592-W1599 HydrophobicContact CG1-CG 4.23Å |
| 1593 | G | 68.2 | Low | 79.5 | Confident | 32 Ų | 32 | 54.5 Ų | 54.5 | 33% | 0.33 | 31% | 0.313 | S | S | . | . | trans | 92.2 | 146.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | R1589 E1595 | R1589-G1593 PolarHBondContact O-N 3.16Å; R1589-G1593 VanDerWaalsContact O-N 3.15Å; G1593-E1595 PolarHBondContact O-N 3.33Å | ||
| 1594 | A | 61.1 | Low | 79.3 | Confident | 100 Ų | 100 | 57.1 Ų | 57.1 | 83% | 0.826 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -13.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 1595 | E | 64.9 | Low | 78.8 | Confident | 181 Ų | 181 | 55.1 Ų | 55.1 | 85% | 0.846 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | -8.6 | -169.3 | -61.9 | -172.4 | 172 | 0 | 0 | 114.3 | G1593 | G1593-E1595 PolarHBondContact O-N 3.33Š|
| 1596 | V | 67 | Low | 78.5 | Confident | 13 Ų | 13 | 54.8 Ų | 54.8 | 8% | 0.079 | 31% | 0.313 | C | S | . | . | trans | -96.6 | 113.3 | -175 | -165.9 | 0 | 0 | 0 | 0 | 111.9 | L1548 D1554 T1558 V1592 W1599 | L1548-V1596 HydrophobicContact CD2-CG1 3.97Å; D1554-V1596 HydrophobicContact CB-CG2 3.54Å; T1558-V1596 HydrophobicContact CG2-CG1 4.47Å; V1592-V1596 HydrophobicContact CG1-CB 4.07Å; V1596-W1599 PolarHBondContact O-NE1 3.31Å | ||
| 1597 | G | 69.7 | Low | 78.3 | Confident | 50 Ų | 50 | 54.2 Ų | 54.2 | 52% | 0.515 | 31% | 0.314 | S | S | . | . | trans | -92.8 | 162 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1548 | L1548-G1597 VanDerWaalsContact CD2-O 3.29Å; L1548-G1597 WeakPolarHBondContact CD2-O 3.49Å | ||
| 1598 | G | 76.2 | Confident | 78.5 | Confident | 13 Ų | 13 | 51.4 Ų | 51.4 | 13% | 0.134 | 30% | 0.295 | C | S | . | . | trans | 95 | -13.4 | 171 | 0 | 0 | 0 | 0 | 0 | 116.6 | Q1600 N1601 L1602 | G1598-Q1600 PolarHBondContact O-N 3.29Å; G1598-N1601 PolarHBondContact O-N 3.17Å; G1598-L1602 PolarHBondContact O-N 3.14Å | ||
| 1599 | W | 84 | Confident | 78.4 | Confident | 13 Ų | 13 | 58.3 Ų | 58.3 | 5% | 0.049 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.1 | -25.3 | 176.1 | 60.3 | -96.9 | 0 | 0 | 0 | 113.7 | L1548 T1558 E1585 I1588 V1592 V1596 L1602 L1603 W1620 | L1548-W1599 HydrophobicContact CD2-CB 4.41Å; T1558-W1599 HydrophobicContact CG2-CB 3.63Å; T1558-W1599 HydrophobicContact CG2-CG 4.45Å; E1585-W1599 HydrophobicContact CG-CH2 3.98Å; E1585-W1599 HydrophobicContact CG-CZ2 4.47Å; I1588-W1599 HydrophobicContact CB-CH2 4.27Å; I1588-W1599 HydrophobicContact CB-CZ3 4.26Å; I1588-W1599 HydrophobicContact CD1-CZ3 4.08Å; I1588-W1599 HydrophobicContact CG2-CD2 4.29Å; I1588-W1599 HydrophobicContact CG2-CE3 3.83Å; I1588-W1599 HydrophobicContact CG2-CH2 3.98Å; I1588-W1599 HydrophobicContact CG2-CZ2 4.4Å; I1588-W1599 HydrophobicContact CG2-CZ3 3.67Å; V1592-W1599 HydrophobicContact CG1-CG 4.23Å; V1596-W1599 PolarHBondContact O-NE1 3.31Å; W1599-L1602 PolarHBondContact O-N 3.12Å; W1599-L1603 HydrophobicContact CE3-CD1 3.91Å; W1599-L1603 HydrophobicContact CZ3-CD1 4.05Å; W1599-L1603 PolarHBondContact O-N 3.1Å; W1599-L1603 VanDerWaalsContact O-N 3.12Å; W1599-W1620 HydrophobicContact CH2-CZ2 4.35Å; W1599-W1620 AromaticContact CZ3-CE2 3.93Å; W1599-W1620 AromaticContact CZ3-CZ2 3.84Å; W1599-W1620 HydrophobicContact CZ3-CZ2 3.84Å |
| 1600 | Q | 86.2 | Confident | 78.5 | Confident | 45 Ų | 45 | 56.7 Ų | 56.7 | 21% | 0.21 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.1 | -46.4 | 175.2 | -62.5 | 168.1 | -27.4 | 0 | 0 | 110.6 | E1585 G1598 L1602 L1603 E1604 W1620 | E1585-Q1600 PolarHBondContact OE1-NE2 3.47Å; G1598-Q1600 PolarHBondContact O-N 3.29Å; Q1600-L1602 VanDerWaalsContact C-N 3.27Å; Q1600-L1602 PolarHBondContact O-N 3.03Å; Q1600-L1603 PolarHBondContact O-N 3.48Å; Q1600-E1604 WeakPolarHBondContact O-CG 3.2Å; Q1600-E1604 PolarHBondContact O-N 3.35Å; Q1600-W1620 HydrophobicContact CB-CH2 3.96Å; Q1600-W1620 HydrophobicContact CB-CZ2 3.97Å; Q1600-W1620 HydrophobicContact CG-CH2 4.41Å; Q1600-W1620 HydrophobicContact CG-CZ2 3.92Å; Q1600-W1620 WeakPolarHBondContact O-CH2 3.41Å |
| 1601 | N | 80.3 | Confident | 78.5 | Confident | 77 Ų | 77 | 55 Ų | 55 | 41% | 0.412 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.4 | -35.3 | 179 | -60.4 | -4.3 | 0 | 0 | 0 | 111.5 | A1544 G1598 A1605 | A1544-N1601 HydrophobicContact CB-CB 4.13Å; G1598-N1601 PolarHBondContact O-N 3.17Å; N1601-A1605 WeakPolarHBondContact O-CB 3.41Å; N1601-A1605 PolarHBondContact O-N 2.98Å |
| 1602 | L | 84.6 | Confident | 78.3 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.8 | -44.8 | 177 | -178.9 | 69.4 | 0 | 0 | 0 | 111.4 | I1541 A1544 L1545 L1548 A1562 G1598 W1599 Q1600 A1605 V1606 L1638 | I1541-L1602 HydrophobicContact CG2-CD1 4.29Å; A1544-L1602 HydrophobicContact CB-CB 4.4Å; A1544-L1602 HydrophobicContact CB-CD1 4.48Å; L1545-L1602 HydrophobicContact CD2-CD1 3.98Å; L1545-L1602 HydrophobicContact CG-CD1 4.19Å; L1548-L1602 HydrophobicContact CD1-CB 4.16Å; L1548-L1602 HydrophobicContact CD1-CD2 3.97Å; A1562-L1602 HydrophobicContact CB-CD2 3.81Å; G1598-L1602 PolarHBondContact O-N 3.14Å; W1599-L1602 PolarHBondContact O-N 3.12Å; Q1600-L1602 VanDerWaalsContact C-N 3.27Å; Q1600-L1602 PolarHBondContact O-N 3.03Å; L1602-A1605 PolarHBondContact O-N 3.3Å; L1602-V1606 VanDerWaalsContact O-CG2 3.24Å; L1602-V1606 WeakPolarHBondContact O-CG2 3.38Å; L1602-V1606 PolarHBondContact O-N 3.11Å; L1602-L1638 HydrophobicContact CD2-CD1 4.42Å; L1602-L1638 HydrophobicContact CD2-CD2 4.16Å |
| 1603 | L | 87.5 | Confident | 77.9 | Confident | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.016 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.4 | -41.7 | 177.6 | -70.6 | 179.5 | 0 | 0 | 0 | 111.7 | L1565 I1588 W1599 Q1600 V1606 G1607 F1608 W1620 | L1565-L1603 HydrophobicContact CD1-CD1 4.14Å; L1565-L1603 HydrophobicContact CD1-CD2 4.2Å; I1588-L1603 HydrophobicContact CD1-CD1 4.01Å; W1599-L1603 HydrophobicContact CE3-CD1 3.91Å; W1599-L1603 HydrophobicContact CZ3-CD1 4.05Å; W1599-L1603 PolarHBondContact O-N 3.1Å; W1599-L1603 VanDerWaalsContact O-N 3.12Å; Q1600-L1603 PolarHBondContact O-N 3.48Å; L1603-V1606 PolarHBondContact O-N 3.06Å; L1603-G1607 PolarHBondContact O-N 3.1Å; L1603-F1608 HydrophobicContact CB-CB 4.04Å; L1603-F1608 HydrophobicContact CB-CD2 4.26Å; L1603-F1608 HydrophobicContact CB-CG 4.21Å; L1603-F1608 HydrophobicContact CD2-CD2 3.95Å; L1603-F1608 HydrophobicContact CD2-CE2 4.05Å; L1603-F1608 HydrophobicContact CD2-CG 4.29Å; L1603-F1608 HydrophobicContact CD2-CZ 4.46Å; L1603-F1608 WeakPolarHBondContact O-CB 3.47Å; L1603-F1608 WeakPolarHBondContact O-CD2 3.33Å; L1603-F1608 PolarHBondContact O-N 3.27Å; L1603-W1620 HydrophobicContact CB-CE3 4.04Å; L1603-W1620 HydrophobicContact CB-CH2 4.18Å; L1603-W1620 HydrophobicContact CB-CZ3 3.56Å; L1603-W1620 HydrophobicContact CD1-CD2 4.41Å; L1603-W1620 HydrophobicContact CD1-CE3 4.16Å; L1603-W1620 HydrophobicContact CD1-CZ3 4.29Å |
| 1604 | E | 84.3 | Confident | 77.3 | Confident | 88 Ų | 88 | 62.7 Ų | 62.7 | 41% | 0.411 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.4 | -43.6 | 175 | -73.1 | 175.4 | -172.4 | 0 | 0 | 111.8 | Q1600 V1606 G1607 W1620 | Q1600-E1604 WeakPolarHBondContact O-CG 3.2Å; Q1600-E1604 PolarHBondContact O-N 3.35Å; E1604-V1606 PolarHBondContact O-N 3.46Å; E1604-G1607 PolarHBondContact O-N 3.37Å; E1604-W1620 HydrophobicContact CG-CH2 3.85Å; E1604-W1620 HydrophobicContact CG-CZ3 3.81Å |
| 1605 | A | 76.5 | Confident | 77.1 | Confident | 17 Ų | 17 | 60.2 Ų | 60.2 | 14% | 0.14 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63 | -28.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | L1540 A1544 N1601 L1602 | L1540-A1605 HydrophobicContact CB-CB 4.44Å; A1544-A1605 HydrophobicContact CB-CB 3.99Å; N1601-A1605 WeakPolarHBondContact O-CB 3.41Å; N1601-A1605 PolarHBondContact O-N 2.98Å; L1602-A1605 PolarHBondContact O-N 3.3Å |
| 1606 | V | 79.9 | Confident | 77 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -4.4 | 178.4 | -177 | 0 | 0 | 0 | 0 | 112 | I1541 I1566 L1602 L1603 E1604 V1631 | I1541-V1606 HydrophobicContact CD1-CG2 4.37Å; I1541-V1606 HydrophobicContact CG1-CG2 4.41Å; I1566-V1606 HydrophobicContact CD1-CB 4.2Å; I1566-V1606 HydrophobicContact CD1-CG1 3.79Å; I1566-V1606 HydrophobicContact CD1-CG2 4.03Å; I1566-V1606 HydrophobicContact CG1-CB 4.48Å; I1566-V1606 HydrophobicContact CG1-CG1 3.78Å; I1566-V1606 HydrophobicContact CG2-CG1 4.11Å; L1602-V1606 VanDerWaalsContact O-CG2 3.24Å; L1602-V1606 WeakPolarHBondContact O-CG2 3.38Å; L1602-V1606 PolarHBondContact O-N 3.11Å; L1603-V1606 PolarHBondContact O-N 3.06Å; E1604-V1606 PolarHBondContact O-N 3.46Å; V1606-V1631 HydrophobicContact CG1-CB 4.44Å; V1606-V1631 HydrophobicContact CG1-CG1 4.43Å |
| 1607 | G | 81.5 | Confident | 77.6 | Confident | 32 Ų | 32 | 62.3 Ų | 62.3 | 33% | 0.33 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 105.8 | 13.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | L1603 E1604 | L1603-G1607 PolarHBondContact O-N 3.1Å; E1604-G1607 PolarHBondContact O-N 3.37Å |
| 1608 | F | 87.7 | Confident | 78.2 | Confident | 6 Ų | 6 | 60.2 Ų | 60.2 | 3% | 0.026 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -75.3 | 138.1 | 170.2 | -72 | -106.3 | 0 | 0 | 0 | 110.6 | L1565 I1566 L1603 W1620 F1622 P1623 | L1565-F1608 HydrophobicContact CB-CE1 4.23Å; L1565-F1608 HydrophobicContact CB-CZ 3.93Å; I1566-F1608 HydrophobicContact CG1-CE2 3.85Å; I1566-F1608 HydrophobicContact CG1-CZ 4.46Å; L1603-F1608 HydrophobicContact CB-CB 4.04Å; L1603-F1608 HydrophobicContact CB-CD2 4.26Å; L1603-F1608 HydrophobicContact CB-CG 4.21Å; L1603-F1608 HydrophobicContact CD2-CD2 3.95Å; L1603-F1608 HydrophobicContact CD2-CE2 4.05Å; L1603-F1608 HydrophobicContact CD2-CG 4.29Å; L1603-F1608 HydrophobicContact CD2-CZ 4.46Å; L1603-F1608 WeakPolarHBondContact O-CB 3.47Å; L1603-F1608 WeakPolarHBondContact O-CD2 3.33Å; L1603-F1608 PolarHBondContact O-N 3.27Å; F1608-W1620 HydrophobicContact CB-CE3 3.83Å; F1608-W1620 HydrophobicContact CB-CZ3 4.14Å; F1608-F1622 HydrophobicContact CE1-CB 4.41Å; F1608-F1622 AromaticContact CE1-CD1 3.76Å; F1608-F1622 HydrophobicContact CE1-CD1 3.76Å; F1608-F1622 HydrophobicContact CE1-CD2 4.17Å; F1608-F1622 AromaticContact CE1-CE1 3.99Å; F1608-F1622 HydrophobicContact CE1-CE1 3.99Å; F1608-F1622 HydrophobicContact CE1-CE2 4.4Å; F1608-F1622 AromaticContact CE1-CG 3.86Å; F1608-F1622 HydrophobicContact CE1-CG 3.86Å; F1608-F1622 HydrophobicContact CE1-CZ 4.32Å; F1608-F1622 HydrophobicContact CZ-CD1 4.16Å; F1608-F1622 HydrophobicContact CZ-CE1 4.37Å; F1608-P1623 HydrophobicContact CE2-CG 4.37Å |
| 1609 | R | 84.4 | Confident | 78.7 | Confident | 152 Ų | 152 | 60.5 Ų | 60.5 | 57% | 0.574 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101 | 127.1 | 178.3 | -76.1 | -173.1 | -79.1 | -172.4 | -4.6 | 110.9 | W1620 Y1621 | R1609-W1620 CarbonylContact O-C 3.53Å; R1609-W1620 WeakPolarHBondContact O-CA 3.43Å; R1609-Y1621 PolarHBondContact N-O 3.2Å; R1609-Y1621 VanDerWaalsContact N-O 3.13Å; R1609-Y1621 PolarHBondContact O-N 3.01Å |
| 1610 | R | 85.8 | Confident | 79 | Confident | 91 Ų | 91 | 59.9 Ų | 59.9 | 34% | 0.343 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 124.6 | 176.6 | -172.6 | -174.8 | -176.4 | -166 | 0.8 | 110.2 | E1585 W1620 | E1585-R1610 IonicContact OE1-NH2 3.91Å; E1585-R1610 IonicContact OE2-CZ 3.82Å; E1585-R1610 IonicContact OE2-NE 3.15Å; E1585-R1610 PolarHBondContact OE2-NE 3.35Å; E1585-R1610 IonicContact OE2-NH2 3.02Å; E1585-R1610 PolarHBondContact OE2-NH2 3.38Å; R1610-W1620 HydrophobicContact CB-CD2 4.33Å; R1610-W1620 HydrophobicContact CB-CE3 4.24Å; R1610-W1620 HydrophobicContact CB-CH2 4.1Å; R1610-W1620 HydrophobicContact CB-CZ2 4.17Å; R1610-W1620 HydrophobicContact CB-CZ3 4.13Å; R1610-W1620 HydrophobicContact CG-CD2 4.4Å; R1610-W1620 HydrophobicContact CG-CH2 4.35Å; R1610-W1620 HydrophobicContact CG-CZ2 3.94Å |
| 1611 | E | 82.3 | Confident | 79.1 | Confident | 103 Ų | 103 | 61.1 Ų | 61.1 | 48% | 0.481 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 141.2 | 172.7 | -68 | -173.1 | 177.5 | 0 | 0 | 110.8 | P1613 V1619 Y1621 | E1611-P1613 WeakPolarHBondContact O-CD 3.4Å; E1611-V1619 PolarHBondContact N-O 3.32Å; E1611-V1619 PolarHBondContact O-N 3.44Å; E1611-Y1621 HydrophobicContact CB-CD2 4.45Å; E1611-Y1621 HydrophobicContact CB-CE2 4.01Å; E1611-Y1621 HydrophobicContact CG-CD2 4.11Å; E1611-Y1621 HydrophobicContact CG-CE2 3.9Å; E1611-Y1621 VanDerWaalsContact OE2-CE2 3.27Å; E1611-Y1621 WeakPolarHBondContact OE2-CE2 3.39Å |
| 1612 | L | 77.1 | Confident | 79.6 | Confident | 138 Ų | 138 | 58 Ų | 58 | 72% | 0.723 | 32% | 0.323 | S | S | * | . | trans | -106.6 | 88.1 | 176 | -75.5 | 151.8 | 0 | 0 | 0 | 108.9 | A1618 | L1612-A1618 HydrophobicContact CD2-CB 3.86Å; L1612-A1618 HydrophobicContact CG-CB 4.41Å | ||
| 1613 | P | 65.6 | Low | 79.6 | Confident | 68 Ų | 68 | 58.7 Ų | 58.7 | 44% | 0.442 | 33% | 0.328 | S | S | . | . | trans | -66 | 162.2 | 170.8 | 27.2 | -31.7 | 0 | 0 | 0 | 110.4 | E1611 G1615 V1619 | E1611-P1613 WeakPolarHBondContact O-CD 3.4Å; P1613-G1615 PolarHBondContact O-N 2.88Å; P1613-G1615 VanDerWaalsContact O-O 3.09Å; P1613-V1619 HydrophobicContact CG-CG2 3.93Å | ||
| 1614 | A | 57.4 | Low | 79.3 | Confident | 126 Ų | 126 | 63.3 Ų | 63.3 | 100% | 1.041 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -65.5 | 16.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 1615 | G | 56.3 | Low | 79.1 | Confident | 48 Ų | 48 | 60.8 Ų | 60.8 | 50% | 0.495 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -122.3 | 163.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | P1613 D1617 | P1613-G1615 PolarHBondContact O-N 2.88Å; P1613-G1615 VanDerWaalsContact O-O 3.09Å; G1615-D1617 PolarHBondContact O-N 3.18Å |
| 1616 | D | 63.2 | Low | 79.1 | Confident | 186 Ų | 186 | 61.7 Ų | 61.7 | 100% | 0.995 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -62.9 | -4.5 | -160.7 | -66.7 | -26.3 | 0 | 0 | 0 | 117.9 | ||
| 1617 | D | 78.8 | Confident | 78.2 | Confident | 53 Ų | 53 | 67.7 Ų | 67.7 | 28% | 0.283 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -125.8 | 126.1 | -173.8 | -159 | 11.8 | 0 | 0 | 0 | 112.1 | N1584 S1586 G1615 | N1584-D1617 WeakPolarHBondContact CB-OD2 3.47Å; S1586-D1617 WeakPolarHBondContact CB-OD2 3.27Å; S1586-D1617 PolarHBondContact N-OD1 3.32Å; S1586-D1617 PolarHBondContact OG-OD2 3.39Å; G1615-D1617 PolarHBondContact O-N 3.18Å |
| 1618 | A | 82.4 | Confident | 77.1 | Confident | 5 Ų | 5 | 69.6 Ų | 69.6 | 4% | 0.041 | 39% | 0.391 | C | S | . | . | trans | -76.2 | 148.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | E1585 L1612 | E1585-A1618 HydrophobicContact CB-CB 4.03Å; E1585-A1618 WeakPolarHBondContact CB-O 3.41Å; E1585-A1618 PolarHBondContact N-O 2.93Å; E1585-A1618 WeakPolarHBondContact OE2-CB 3.46Å; L1612-A1618 HydrophobicContact CD2-CB 3.86Å; L1612-A1618 HydrophobicContact CG-CB 4.41Å | ||
| 1619 | V | 86.8 | Confident | 76.3 | Confident | 19 Ų | 19 | 70.3 Ų | 70.3 | 12% | 0.115 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 130.9 | -176.2 | -178.9 | 0 | 0 | 0 | 0 | 110.2 | F1582 E1611 P1613 Y1621 | F1582-V1619 HydrophobicContact CB-CG1 3.57Å; F1582-V1619 HydrophobicContact CD2-CG1 3.72Å; F1582-V1619 HydrophobicContact CG-CG1 3.88Å; E1611-V1619 PolarHBondContact N-O 3.32Å; E1611-V1619 PolarHBondContact O-N 3.44Å; P1613-V1619 HydrophobicContact CG-CG2 3.93Å; V1619-Y1621 HydrophobicContact CB-CE2 4.34Å; V1619-Y1621 HydrophobicContact CG1-CD2 4.26Å; V1619-Y1621 HydrophobicContact CG1-CE2 3.8Å |
| 1620 | W | 90.3 | Very high | 75.8 | Confident | 1 Ų | 1 | 64.5 Ų | 64.5 | 0% | 0.004 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 113.8 | 177.5 | -72.6 | 83.2 | 0 | 0 | 0 | 110.6 | F1582 T1583 I1588 W1599 Q1600 L1603 E1604 F1608 R1609 R1610 | F1582-W1620 CarbonylContact C-O 3.6Å; F1582-W1620 WeakPolarHBondContact CA-O 3.1Å; T1583-W1620 HydrophobicContact CG2-CB 3.99Å; T1583-W1620 PolarHBondContact N-O 3.34Å; T1583-W1620 PolarHBondContact O-N 3.02Å; I1588-W1620 HydrophobicContact CD1-CB 4.32Å; I1588-W1620 HydrophobicContact CD1-CD2 4.46Å; I1588-W1620 HydrophobicContact CD1-CG 3.93Å; W1599-W1620 HydrophobicContact CH2-CZ2 4.35Å; W1599-W1620 AromaticContact CZ3-CE2 3.93Å; W1599-W1620 AromaticContact CZ3-CZ2 3.84Å; W1599-W1620 HydrophobicContact CZ3-CZ2 3.84Å; Q1600-W1620 HydrophobicContact CB-CH2 3.96Å; Q1600-W1620 HydrophobicContact CB-CZ2 3.97Å; Q1600-W1620 HydrophobicContact CG-CH2 4.41Å; Q1600-W1620 HydrophobicContact CG-CZ2 3.92Å; Q1600-W1620 WeakPolarHBondContact O-CH2 3.41Å; L1603-W1620 HydrophobicContact CB-CE3 4.04Å; L1603-W1620 HydrophobicContact CB-CH2 4.18Å; L1603-W1620 HydrophobicContact CB-CZ3 3.56Å; L1603-W1620 HydrophobicContact CD1-CD2 4.41Å; L1603-W1620 HydrophobicContact CD1-CE3 4.16Å; L1603-W1620 HydrophobicContact CD1-CZ3 4.29Å; E1604-W1620 HydrophobicContact CG-CH2 3.85Å; E1604-W1620 HydrophobicContact CG-CZ3 3.81Å; F1608-W1620 HydrophobicContact CB-CE3 3.83Å; F1608-W1620 HydrophobicContact CB-CZ3 4.14Å; R1609-W1620 CarbonylContact O-C 3.53Å; R1609-W1620 WeakPolarHBondContact O-CA 3.43Å; R1610-W1620 HydrophobicContact CB-CD2 4.33Å; R1610-W1620 HydrophobicContact CB-CE3 4.24Å; R1610-W1620 HydrophobicContact CB-CH2 4.1Å; R1610-W1620 HydrophobicContact CB-CZ2 4.17Å; R1610-W1620 HydrophobicContact CB-CZ3 4.13Å; R1610-W1620 HydrophobicContact CG-CD2 4.4Å; R1610-W1620 HydrophobicContact CG-CH2 4.35Å; R1610-W1620 HydrophobicContact CG-CZ2 3.94Å |
| 1621 | Y | 88.8 | Confident | 75.6 | Confident | 70 Ų | 70 | 60.3 Ų | 60.3 | 28% | 0.275 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 134.5 | 176.7 | -71 | -88 | 0 | 0 | 0 | 111.7 | F1582 R1609 E1611 V1619 | F1582-Y1621 HydrophobicContact CB-CD1 4.03Å; F1582-Y1621 HydrophobicContact CB-CE1 4.12Å; F1582-Y1621 HydrophobicContact CB-CG 4.48Å; R1609-Y1621 PolarHBondContact N-O 3.2Å; R1609-Y1621 VanDerWaalsContact N-O 3.13Å; R1609-Y1621 PolarHBondContact O-N 3.01Å; E1611-Y1621 HydrophobicContact CB-CD2 4.45Å; E1611-Y1621 HydrophobicContact CB-CE2 4.01Å; E1611-Y1621 HydrophobicContact CG-CD2 4.11Å; E1611-Y1621 HydrophobicContact CG-CE2 3.9Å; E1611-Y1621 VanDerWaalsContact OE2-CE2 3.27Å; E1611-Y1621 WeakPolarHBondContact OE2-CE2 3.39Å; V1619-Y1621 HydrophobicContact CB-CE2 4.34Å; V1619-Y1621 HydrophobicContact CG1-CD2 4.26Å; V1619-Y1621 HydrophobicContact CG1-CE2 3.8Å |
| 1622 | F | 90.4 | Very high | 75.5 | Confident | 12 Ų | 12 | 62 Ų | 62 | 5% | 0.053 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 142.9 | 176.9 | -75 | -116 | 0 | 0 | 0 | 110.7 | L1565 K1568 M1581 T1583 F1608 | L1565-F1622 HydrophobicContact CD2-CE1 4.25Å; L1565-F1622 HydrophobicContact CD2-CZ 3.65Å; K1568-F1622 HydrophobicContact CB-CE1 4.22Å; K1568-F1622 HydrophobicContact CD-CE1 4.26Å; K1568-F1622 HydrophobicContact CG-CE1 4.31Å; M1581-F1622 HydrophobicContact CB-CB 4.28Å; M1581-F1622 HydrophobicContact CB-CD2 4.07Å; M1581-F1622 HydrophobicContact CB-CG 4.21Å; M1581-F1622 HydrophobicContact CG-CD2 3.85Å; M1581-F1622 HydrophobicContact CG-CE2 4.03Å; M1581-F1622 HydrophobicContact CG-CG 4.27Å; M1581-F1622 WeakPolarHBondContact O-CD2 3.32Å; M1581-F1622 PolarHBondContact O-N 3.45Å; M1581-F1622 HydrophobicContact SD-CD1 4.42Å; M1581-F1622 HydrophobicContact SD-CD2 4.38Å; M1581-F1622 HydrophobicContact SD-CE1 4.33Å; M1581-F1622 HydrophobicContact SD-CE2 4.29Å; M1581-F1622 HydrophobicContact SD-CG 4.45Å; M1581-F1622 HydrophobicContact SD-CZ 4.26Å; T1583-F1622 HydrophobicContact CG2-CE2 4.17Å; F1608-F1622 HydrophobicContact CE1-CB 4.41Å; F1608-F1622 AromaticContact CE1-CD1 3.76Å; F1608-F1622 HydrophobicContact CE1-CD1 3.76Å; F1608-F1622 HydrophobicContact CE1-CD2 4.17Å; F1608-F1622 AromaticContact CE1-CE1 3.99Å; F1608-F1622 HydrophobicContact CE1-CE1 3.99Å; F1608-F1622 HydrophobicContact CE1-CE2 4.4Å; F1608-F1622 AromaticContact CE1-CG 3.86Å; F1608-F1622 HydrophobicContact CE1-CG 3.86Å; F1608-F1622 HydrophobicContact CE1-CZ 4.32Å; F1608-F1622 HydrophobicContact CZ-CD1 4.16Å; F1608-F1622 HydrophobicContact CZ-CE1 4.37Å |
| 1623 | P | 84.3 | Confident | 75.4 | Confident | 15 Ų | 15 | 58 Ų | 58 | 10% | 0.097 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 135.2 | 173.4 | 20.1 | -26.8 | 0 | 0 | 0 | 111.4 | F1608 V1631 | F1608-P1623 HydrophobicContact CE2-CG 4.37Å; P1623-V1631 HydrophobicContact CB-CG2 4.16Å; P1623-V1631 HydrophobicContact CG-CG2 3.76Å |
| 1624 | Q | 80.8 | Confident | 76 | Confident | 99 Ų | 99 | 54.8 Ų | 54.8 | 46% | 0.463 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -91.2 | -10.7 | -178.6 | -71.8 | 175.1 | -44.8 | 0 | 0 | 113.4 | V1578 | V1578-Q1624 PolarHBondContact O-NE2 2.8Š|
| 1625 | G | 79.7 | Confident | 77.3 | Confident | 36 Ų | 36 | 49.2 Ų | 49.2 | 37% | 0.371 | 28% | 0.281 | S | S | . | . | trans | -158.1 | 163.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110 | P1627 | G1625-P1627 VanDerWaalsContact C-CD 3.41Š| ||
| 1626 | D | 78 | Confident | 78.3 | Confident | 36 Ų | 36 | 51.6 Ų | 51.6 | 19% | 0.193 | 28% | 0.276 | C | S | . | . | trans | -125.6 | 59.5 | 178.8 | -165.8 | 18.6 | 0 | 0 | 0 | 111.1 | I1573 D1628 G1629 L1630 V1631 F1632 | I1573-D1626 HydrophobicContact CD1-CB 4.07Å; I1573-D1626 HydrophobicContact CG2-CB 4.41Å; D1626-D1628 PolarHBondContact O-N 2.67Å; D1626-G1629 PolarHBondContact O-N 3.47Å; D1626-G1629 VanDerWaalsContact O-N 3.14Å; D1626-G1629 WeakPolarHBondContact OD1-CA 3.49Å; D1626-G1629 PolarHBondContact OD1-N 3.35Å; D1626-G1629 VanDerWaalsContact OD1-N 3.08Å; D1626-G1629 VanDerWaalsContact OD2-CA 3.24Å; D1626-G1629 WeakPolarHBondContact OD2-CA 3.4Å; D1626-L1630 PolarHBondContact OD1-N 3.44Å; D1626-V1631 HydrophobicContact CB-CB 4.28Å; D1626-V1631 HydrophobicContact CB-CG2 4.09Å; D1626-V1631 PolarHBondContact OD1-N 3.01Å; D1626-V1631 WeakPolarHBondContact OD2-CB 3.49Å; D1626-V1631 PolarHBondContact OD2-N 3.29Å; D1626-F1632 PolarHBondContact OD2-N 3.49Å | ||
| 1627 | P | 59.6 | Low | 78.8 | Confident | 125 Ų | 125 | 43.3 Ų | 43.3 | 81% | 0.812 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -30.6 | -174.7 | 26 | -34.1 | 0 | 0 | 0 | 112.1 | G1625 | G1625-P1627 VanDerWaalsContact C-CD 3.41Š|
| 1628 | D | 60.4 | Low | 78.9 | Confident | 73 Ų | 73 | 40.9 Ų | 40.9 | 39% | 0.39 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 2.4 | -179.6 | -71.7 | -36.6 | 0 | 0 | 0 | 113.4 | K1537 D1626 L1630 | K1537-D1628 VanDerWaalsContact CD-O 3.25Å; K1537-D1628 WeakPolarHBondContact CD-O 3.45Å; K1537-D1628 WeakPolarHBondContact CE-O 3.25Å; K1537-D1628 PolarHBondContact NZ-O 2.79Å; D1626-D1628 PolarHBondContact O-N 2.67Å; D1628-L1630 HydrophobicContact CB-CD1 4.16Å; D1628-L1630 HydrophobicContact CB-CG 4Å; D1628-L1630 PolarHBondContact O-N 2.79Å |
| 1629 | G | 69.5 | Low | 78.7 | Confident | 21 Ų | 21 | 43.2 Ų | 43.2 | 22% | 0.216 | 23% | 0.229 | C | C | . | . | S | Bend | trans | 63 | 21.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | D1626 H1633 | D1626-G1629 PolarHBondContact O-N 3.47Å; D1626-G1629 VanDerWaalsContact O-N 3.14Å; D1626-G1629 WeakPolarHBondContact OD1-CA 3.49Å; D1626-G1629 PolarHBondContact OD1-N 3.35Å; D1626-G1629 VanDerWaalsContact OD1-N 3.08Å; D1626-G1629 VanDerWaalsContact OD2-CA 3.24Å; D1626-G1629 WeakPolarHBondContact OD2-CA 3.4Å; G1629-H1633 WeakPolarHBondContact O-CB 3.38Å; G1629-H1633 PolarHBondContact O-N 3.18Å |
| 1630 | L | 73.8 | Confident | 77.8 | Confident | 30 Ų | 30 | 43.5 Ų | 43.5 | 16% | 0.157 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70.6 | -40.7 | -179.7 | -73.8 | 170.8 | 0 | 0 | 0 | 111.1 | K1537 D1626 D1628 F1632 H1633 G1634 | K1537-L1630 HydrophobicContact CB-CD2 4.02Å; K1537-L1630 HydrophobicContact CG-CD2 4.08Å; D1626-L1630 PolarHBondContact OD1-N 3.44Å; D1628-L1630 HydrophobicContact CB-CD1 4.16Å; D1628-L1630 HydrophobicContact CB-CG 4Å; D1628-L1630 PolarHBondContact O-N 2.79Å; L1630-F1632 VanDerWaalsContact C-N 3.34Å; L1630-H1633 PolarHBondContact O-N 3.28Å; L1630-G1634 PolarHBondContact O-N 2.94Å |
| 1631 | V | 82.8 | Confident | 76.9 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.012 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.4 | -43.4 | 177.2 | -164.3 | 0 | 0 | 0 | 0 | 109.6 | I1566 S1569 L1570 I1573 V1606 P1623 D1626 S1635 | I1566-V1631 HydrophobicContact CG2-CG1 3.77Å; I1566-V1631 VanDerWaalsContact CG2-O 3.22Å; I1566-V1631 WeakPolarHBondContact CG2-O 3.46Å; S1569-V1631 VanDerWaalsContact OG-CG1 3.31Å; S1569-V1631 WeakPolarHBondContact OG-CG1 3.43Å; L1570-V1631 HydrophobicContact CD1-CG1 4.43Å; L1570-V1631 HydrophobicContact CD2-CB 4.01Å; L1570-V1631 HydrophobicContact CD2-CG1 3.95Å; L1570-V1631 HydrophobicContact CG-CB 4.27Å; L1570-V1631 HydrophobicContact CG-CG1 3.66Å; I1573-V1631 HydrophobicContact CD1-CG2 4.22Å; V1606-V1631 HydrophobicContact CG1-CB 4.44Å; V1606-V1631 HydrophobicContact CG1-CG1 4.43Å; P1623-V1631 HydrophobicContact CB-CG2 4.16Å; P1623-V1631 HydrophobicContact CG-CG2 3.76Å; D1626-V1631 HydrophobicContact CB-CB 4.28Å; D1626-V1631 HydrophobicContact CB-CG2 4.09Å; D1626-V1631 PolarHBondContact OD1-N 3.01Å; D1626-V1631 WeakPolarHBondContact OD2-CB 3.49Å; D1626-V1631 PolarHBondContact OD2-N 3.29Å; V1631-S1635 PolarHBondContact O-N 3.29Å |
| 1632 | F | 80.2 | Confident | 76.2 | Confident | 140 Ų | 140 | 43.2 Ų | 43.2 | 61% | 0.614 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -63.1 | -47.5 | 175.1 | -174.9 | -95.2 | 0 | 0 | 0 | 112.4 | L1570 D1626 L1630 S1635 Y1636 | L1570-F1632 HydrophobicContact CD2-CB 4.16Å; D1626-F1632 PolarHBondContact OD2-N 3.49Å; L1630-F1632 VanDerWaalsContact C-N 3.34Å; F1632-S1635 WeakPolarHBondContact O-CB 3.37Å; F1632-S1635 PolarHBondContact O-N 3.19Å; F1632-Y1636 PolarHBondContact O-N 3.13Å |
| 1633 | H | 74.3 | Confident | 75.1 | Confident | 53 Ų | 53 | 44.8 Ų | 44.8 | 25% | 0.245 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.7 | -40.5 | 179.9 | -167.4 | 56.2 | 0 | 0 | 0 | 112.1 | I1541 G1629 L1630 S1635 Y1636 V1637 | I1541-H1633 HydrophobicContact CD1-CB 4.37Å; G1629-H1633 WeakPolarHBondContact O-CB 3.38Å; G1629-H1633 PolarHBondContact O-N 3.18Å; L1630-H1633 PolarHBondContact O-N 3.28Å; H1633-S1635 VanDerWaalsContact C-N 3.34Å; H1633-S1635 PolarHBondContact O-N 2.9Å; H1633-Y1636 PolarHBondContact O-N 3.28Å; H1633-V1637 WeakPolarHBondContact O-CG2 3.29Å; H1633-V1637 PolarHBondContact O-N 3.48Å |
| 1634 | G | 79.1 | Confident | 74 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.2 | -40.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | L1630 L1638 | L1630-G1634 PolarHBondContact O-N 2.94Å; G1634-L1638 WeakPolarHBondContact O-CB 3.29Å; G1634-L1638 WeakPolarHBondContact O-CG 3.37Å; G1634-L1638 PolarHBondContact O-N 3.38Å |
| 1635 | S | 84.7 | Confident | 72.5 | Confident | 8 Ų | 8 | 46.2 Ų | 46.2 | 6% | 0.056 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61 | -49 | 172.6 | -177.5 | 0 | 0 | 0 | 0 | 111.3 | V1631 F1632 H1633 V1637 L1638 Q1639 | V1631-S1635 PolarHBondContact O-N 3.29Å; F1632-S1635 WeakPolarHBondContact O-CB 3.37Å; F1632-S1635 PolarHBondContact O-N 3.19Å; H1633-S1635 VanDerWaalsContact C-N 3.34Å; H1633-S1635 PolarHBondContact O-N 2.9Å; S1635-V1637 PolarHBondContact O-N 3.29Å; S1635-L1638 PolarHBondContact O-N 3.12Å; S1635-Q1639 WeakPolarHBondContact O-CB 3.36Å; S1635-Q1639 VanDerWaalsContact O-CG 3.25Å; S1635-Q1639 WeakPolarHBondContact O-CG 3.33Å; S1635-Q1639 PolarHBondContact O-N 2.85Å |
| 1636 | Y | 75.5 | Confident | 70.8 | Confident | 99 Ų | 99 | 53.1 Ų | 53.1 | 39% | 0.388 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.4 | -47.5 | 179.1 | -179.8 | -96.2 | 0 | 0 | 0 | 112.5 | F1632 H1633 Q1639 A1640 | F1632-Y1636 PolarHBondContact O-N 3.13Å; H1633-Y1636 PolarHBondContact O-N 3.28Å; Y1636-Q1639 PolarHBondContact O-N 2.88Å; Y1636-A1640 WeakPolarHBondContact O-CB 3.47Å; Y1636-A1640 PolarHBondContact O-N 2.65Å |
| 1637 | V | 74.6 | Confident | 68.9 | Low | 12 Ų | 12 | 56 Ų | 56 | 7% | 0.073 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 179.1 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | I1541 L1545 H1633 S1635 A1640 L1641 L1667 | I1541-V1637 HydrophobicContact CG2-CB 4.46Å; I1541-V1637 HydrophobicContact CG2-CG1 4.12Å; L1545-V1637 HydrophobicContact CD1-CG1 3.79Å; H1633-V1637 WeakPolarHBondContact O-CG2 3.29Å; H1633-V1637 PolarHBondContact O-N 3.48Å; S1635-V1637 PolarHBondContact O-N 3.29Å; V1637-A1640 PolarHBondContact O-N 3.08Å; V1637-L1641 HydrophobicContact CG1-CD1 4.02Å; V1637-L1641 HydrophobicContact CG1-CG 4.45Å; V1637-L1641 VanDerWaalsContact O-CG 3.32Å; V1637-L1641 WeakPolarHBondContact O-CG 3.44Å; V1637-L1641 PolarHBondContact O-N 3.08Å; V1637-L1667 HydrophobicContact CG1-CD2 4.13Å |
| 1638 | L | 81.6 | Confident | 68 | Low | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -69.2 | -35.9 | 178 | -72.8 | 170.8 | 0 | 0 | 0 | 112.8 | F1559 A1562 L1563 I1566 L1602 G1634 S1635 A1640 L1641 L1642 | F1559-L1638 HydrophobicContact CB-CD2 4.03Å; F1559-L1638 HydrophobicContact CD1-CD2 3.63Å; F1559-L1638 HydrophobicContact CE1-CD2 4.36Å; F1559-L1638 HydrophobicContact CG-CD2 3.99Å; A1562-L1638 HydrophobicContact CB-CD1 3.96Å; L1563-L1638 HydrophobicContact CB-CB 4.16Å; L1563-L1638 HydrophobicContact CB-CD1 4.25Å; L1563-L1638 HydrophobicContact CD1-CB 3.98Å; I1566-L1638 HydrophobicContact CD1-CD1 3.44Å; I1566-L1638 VanDerWaalsContact CD1-CD1 3.44Å; L1602-L1638 HydrophobicContact CD2-CD1 4.42Å; L1602-L1638 HydrophobicContact CD2-CD2 4.16Å; G1634-L1638 WeakPolarHBondContact O-CB 3.29Å; G1634-L1638 WeakPolarHBondContact O-CG 3.37Å; G1634-L1638 PolarHBondContact O-N 3.38Å; S1635-L1638 PolarHBondContact O-N 3.12Å; L1638-A1640 VanDerWaalsContact C-N 3.34Å; L1638-L1641 HydrophobicContact CD2-CD1 4.49Å; L1638-L1641 PolarHBondContact O-N 3.46Å; L1638-L1642 VanDerWaalsContact O-CB 3.25Å; L1638-L1642 WeakPolarHBondContact O-CB 3.34Å; L1638-L1642 VanDerWaalsContact O-CG 3.31Å; L1638-L1642 WeakPolarHBondContact O-CG 3.4Å; L1638-L1642 PolarHBondContact O-N 3.16Å |
| 1639 | Q | 78.7 | Confident | 67 | Low | 54 Ų | 54 | 55.7 Ų | 55.7 | 25% | 0.252 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.7 | -39 | 171.9 | -74.6 | 179.4 | -1.2 | 0 | 0 | 111.5 | L1563 E1567 S1635 Y1636 G1643 K1644 | L1563-Q1639 HydrophobicContact CD1-CG 3.8Å; L1563-Q1639 HydrophobicContact CD2-CG 4.02Å; E1567-Q1639 PolarHBondContact OE1-NE2 3.21Å; S1635-Q1639 WeakPolarHBondContact O-CB 3.36Å; S1635-Q1639 VanDerWaalsContact O-CG 3.25Å; S1635-Q1639 WeakPolarHBondContact O-CG 3.33Å; S1635-Q1639 PolarHBondContact O-N 2.85Å; Y1636-Q1639 PolarHBondContact O-N 2.88Å; Q1639-G1643 PolarHBondContact O-N 3.38Å; Q1639-G1643 VanDerWaalsContact O-N 3.11Å; Q1639-K1644 HydrophobicContact CB-CB 4.23Å; Q1639-K1644 HydrophobicContact CG-CB 4.45Å; Q1639-K1644 PolarHBondContact O-N 3.14Å |
| 1640 | A | 66.8 | Low | 65.4 | Low | 24 Ų | 24 | 55.9 Ų | 55.9 | 20% | 0.198 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.6 | -47.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y1636 V1637 L1638 L1642 G1643 | Y1636-A1640 WeakPolarHBondContact O-CB 3.47Å; Y1636-A1640 PolarHBondContact O-N 2.65Å; V1637-A1640 PolarHBondContact O-N 3.08Å; L1638-A1640 VanDerWaalsContact C-N 3.34Å; A1640-L1642 VanDerWaalsContact C-N 3.34Å; A1640-L1642 PolarHBondContact O-N 3.33Å; A1640-G1643 PolarHBondContact O-N 2.92Å; A1640-G1643 VanDerWaalsContact O-N 3.07Å |
| 1641 | L | 71.5 | Confident | 63.5 | Low | 31 Ų | 31 | 60.4 Ų | 60.4 | 16% | 0.162 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.9 | -34.4 | 177.1 | -70.8 | 172.4 | 0 | 0 | 0 | 113.2 | L1545 F1559 V1637 L1638 G1643 Y1663 | L1545-L1641 HydrophobicContact CD1-CD1 3.86Å; L1545-L1641 HydrophobicContact CD2-CD1 3.85Å; F1559-L1641 HydrophobicContact CE2-CD1 4.44Å; F1559-L1641 HydrophobicContact CZ-CD1 4.33Å; V1637-L1641 HydrophobicContact CG1-CD1 4.02Å; V1637-L1641 HydrophobicContact CG1-CG 4.45Å; V1637-L1641 VanDerWaalsContact O-CG 3.32Å; V1637-L1641 WeakPolarHBondContact O-CG 3.44Å; V1637-L1641 PolarHBondContact O-N 3.08Å; L1638-L1641 HydrophobicContact CD2-CD1 4.49Å; L1638-L1641 PolarHBondContact O-N 3.46Å; L1641-G1643 VanDerWaalsContact C-N 3.29Å; L1641-Y1663 HydrophobicContact CD2-CD1 3.93Å; L1641-Y1663 HydrophobicContact CD2-CE1 3.57Å |
| 1642 | L | 74.9 | Confident | 61.6 | Low | 34 Ų | 34 | 65.8 Ų | 65.8 | 18% | 0.178 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -0.8 | 175.1 | -72.3 | 167.1 | 0 | 0 | 0 | 113.4 | R1556 F1559 Q1560 L1563 L1638 A1640 K1644 | R1556-L1642 HydrophobicContact CG-CD2 4.23Å; F1559-L1642 HydrophobicContact CB-CD1 4.16Å; F1559-L1642 HydrophobicContact CB-CD2 3.96Å; F1559-L1642 HydrophobicContact CB-CG 4.06Å; Q1560-L1642 HydrophobicContact CG-CD1 4.15Å; Q1560-L1642 HydrophobicContact CG-CD2 3.9Å; L1563-L1642 HydrophobicContact CB-CD1 4.15Å; L1563-L1642 HydrophobicContact CD2-CD1 3.57Å; L1563-L1642 HydrophobicContact CG-CD1 4.48Å; L1638-L1642 VanDerWaalsContact O-CB 3.25Å; L1638-L1642 WeakPolarHBondContact O-CB 3.34Å; L1638-L1642 VanDerWaalsContact O-CG 3.31Å; L1638-L1642 WeakPolarHBondContact O-CG 3.4Å; L1638-L1642 PolarHBondContact O-N 3.16Å; A1640-L1642 VanDerWaalsContact C-N 3.34Å; A1640-L1642 PolarHBondContact O-N 3.33Å; L1642-K1644 VanDerWaalsContact C-N 3.32Å; L1642-K1644 HydrophobicContact CB-CG 4.34Å; L1642-K1644 PolarHBondContact O-N 3.33Å |
| 1643 | G | 65.6 | Low | 59.6 | Low | 46 Ų | 46 | 65.5 Ų | 65.5 | 47% | 0.474 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | 20.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q1639 A1640 L1641 | Q1639-G1643 PolarHBondContact O-N 3.38Å; Q1639-G1643 VanDerWaalsContact O-N 3.11Å; A1640-G1643 PolarHBondContact O-N 2.92Å; A1640-G1643 VanDerWaalsContact O-N 3.07Å; L1641-G1643 VanDerWaalsContact C-N 3.29Å |
| 1644 | K | 61.2 | Low | 58 | Low | 126 Ų | 126 | 66.1 Ų | 66.1 | 55% | 0.548 | 34% | 0.339 | S | S | . | . | trans | -86.3 | -14 | -179.1 | -69 | -175.1 | 176.9 | -178.7 | 0 | 114.3 | L1563 Q1639 L1642 | L1563-K1644 HydrophobicContact CD2-CD 4.12Å; Q1639-K1644 HydrophobicContact CB-CB 4.23Å; Q1639-K1644 HydrophobicContact CG-CB 4.45Å; Q1639-K1644 PolarHBondContact O-N 3.14Å; L1642-K1644 VanDerWaalsContact C-N 3.32Å; L1642-K1644 HydrophobicContact CB-CG 4.34Å; L1642-K1644 PolarHBondContact O-N 3.33Å | ||
| 1645 | C | 49.7 | Very low | 56.3 | Low | 18 Ų | 18 | 70.5 Ų | 70.5 | 12% | 0.122 | 37% | 0.369 | C | S | . | . | trans | -74.2 | 139.2 | 178.4 | -77.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1646 | M | 43.8 | Very low | 54.4 | Low | 181 Ų | 181 | 77.3 Ų | 77.3 | 89% | 0.892 | 40% | 0.4 | S | S | * | . | trans | -87.9 | -0.3 | -175.7 | -74.2 | -108.7 | -95.7 | 0 | 0 | 115.1 | L1648 | M1646-L1648 PolarHBondContact O-N 3.39Š| ||
| 1647 | L | 39.8 | Very low | 52.6 | Low | 95 Ų | 95 | 74.3 Ų | 74.3 | 50% | 0.497 | 39% | 0.393 | S | S | . | . | trans | -76.1 | 114.9 | 178.5 | -80.2 | 157.7 | 0 | 0 | 0 | 110.9 | S1649 A1650 K1651 | L1647-S1649 PolarHBondContact O-N 2.91Å; L1647-S1649 VanDerWaalsContact O-N 3.15Å; L1647-A1650 PolarHBondContact O-N 3.01Å; L1647-A1650 VanDerWaalsContact O-N 3.11Å; L1647-K1651 PolarHBondContact O-N 3.22Å | ||
| 1648 | L | 39 | Very low | 50.9 | Low | 129 Ų | 129 | 83.5 Ų | 83.5 | 68% | 0.675 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -53.7 | -32.3 | -179.9 | -124.3 | 99.4 | 0 | 0 | 0 | 112.8 | M1646 K1651 Q1652 | M1646-L1648 PolarHBondContact O-N 3.39Å; L1648-K1651 PolarHBondContact O-N 3.34Å; L1648-Q1652 WeakPolarHBondContact O-CB 3.26Å; L1648-Q1652 WeakPolarHBondContact O-CG 3.11Å; L1648-Q1652 PolarHBondContact O-N 3.27Å |
| 1649 | S | 40.9 | Very low | 48.7 | Very low | 63 Ų | 63 | 86.9 Ų | 86.9 | 44% | 0.441 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -68.5 | -37 | 179.6 | 56.3 | 0 | 0 | 0 | 0 | 113.2 | L1647 R1653 | L1647-S1649 PolarHBondContact O-N 2.91Å; L1647-S1649 VanDerWaalsContact O-N 3.15Å; S1649-R1653 WeakPolarHBondContact O-CB 3.38Å; S1649-R1653 WeakPolarHBondContact O-CG 3.42Å; S1649-R1653 PolarHBondContact O-N 2.74Å |
| 1650 | A | 35.4 | Very low | 46.7 | Very low | 25 Ų | 25 | 89.4 Ų | 89.4 | 21% | 0.207 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -73.3 | -41.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | L1647 Q1652 R1653 I1654 | L1647-A1650 PolarHBondContact O-N 3.01Å; L1647-A1650 VanDerWaalsContact O-N 3.11Å; A1650-Q1652 VanDerWaalsContact C-N 3.35Å; A1650-Q1652 PolarHBondContact O-N 3.22Å; A1650-R1653 PolarHBondContact O-N 3.44Å; A1650-I1654 VanDerWaalsContact O-CB 3.25Å; A1650-I1654 WeakPolarHBondContact O-CB 3.34Å; A1650-I1654 WeakPolarHBondContact O-CD1 3.47Å; A1650-I1654 WeakPolarHBondContact O-CG1 3.44Å; A1650-I1654 PolarHBondContact O-N 3.34Å |
| 1651 | K | 33.4 | Very low | 45.5 | Very low | 126 Ų | 126 | 96.4 Ų | 96.4 | 55% | 0.548 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61 | -40.1 | 173 | -95.7 | -178.3 | 175.9 | 176.6 | 0 | 112.7 | L1647 L1648 S1655 | L1647-K1651 PolarHBondContact O-N 3.22Å; L1648-K1651 PolarHBondContact O-N 3.34Å; K1651-S1655 VanDerWaalsContact O-CB 3.23Å; K1651-S1655 WeakPolarHBondContact O-CB 3.44Å; K1651-S1655 PolarHBondContact O-N 2.9Å; K1651-S1655 PolarHBondContact O-OG 3.49Å |
| 1652 | Q | 42 | Very low | 44.2 | Very low | 114 Ų | 114 | 98 Ų | 98 | 53% | 0.533 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.2 | -45.3 | 175.7 | -81.5 | 176 | -25.1 | 0 | 0 | 112.1 | L1648 A1650 S1655 Q1656 | L1648-Q1652 WeakPolarHBondContact O-CB 3.26Å; L1648-Q1652 WeakPolarHBondContact O-CG 3.11Å; L1648-Q1652 PolarHBondContact O-N 3.27Å; A1650-Q1652 VanDerWaalsContact C-N 3.35Å; A1650-Q1652 PolarHBondContact O-N 3.22Å; Q1652-S1655 WeakPolarHBondContact CA-OG 3.19Å; Q1652-S1655 PolarHBondContact O-N 3.21Å; Q1652-S1655 PolarHBondContact O-OG 2.98Å; Q1652-Q1656 WeakPolarHBondContact O-CG 3.44Å; Q1652-Q1656 PolarHBondContact O-N 3.45Å |
| 1653 | R | 39.2 | Very low | 42.5 | Very low | 134 Ų | 134 | 98.7 Ų | 98.7 | 51% | 0.506 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.9 | -39.9 | 176.3 | -74 | 179 | -177.1 | 179.3 | 1.4 | 112.6 | S1649 A1650 Q1656 L1666 | S1649-R1653 WeakPolarHBondContact O-CB 3.38Å; S1649-R1653 WeakPolarHBondContact O-CG 3.42Å; S1649-R1653 PolarHBondContact O-N 2.74Å; A1650-R1653 PolarHBondContact O-N 3.44Å; R1653-Q1656 PolarHBondContact O-N 3.26Å; R1653-L1666 HydrophobicContact CB-CD2 4.5Å |
| 1654 | I | 41 | Very low | 41.1 | Very low | 66 Ų | 66 | 100.3 Ų | 100.3 | 34% | 0.338 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.2 | -33.5 | 176.9 | -67.7 | 164.7 | 0 | 0 | 0 | 111.5 | A1650 Q1656 Y1663 | A1650-I1654 VanDerWaalsContact O-CB 3.25Å; A1650-I1654 WeakPolarHBondContact O-CB 3.34Å; A1650-I1654 WeakPolarHBondContact O-CD1 3.47Å; A1650-I1654 WeakPolarHBondContact O-CG1 3.44Å; A1650-I1654 PolarHBondContact O-N 3.34Å; I1654-Q1656 VanDerWaalsContact C-N 3.3Å; I1654-Q1656 PolarHBondContact O-N 2.67Å; I1654-Y1663 WeakPolarHBondContact CG2-OH 3.34Å |
| 1655 | S | 44.2 | Very low | 39.8 | Very low | 93 Ų | 93 | 105.4 Ų | 105.4 | 65% | 0.65 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -73 | -16.5 | 177.9 | 71.7 | 0 | 0 | 0 | 0 | 114.8 | K1651 Q1652 | K1651-S1655 VanDerWaalsContact O-CB 3.23Å; K1651-S1655 WeakPolarHBondContact O-CB 3.44Å; K1651-S1655 PolarHBondContact O-N 2.9Å; K1651-S1655 PolarHBondContact O-OG 3.49Å; Q1652-S1655 WeakPolarHBondContact CA-OG 3.19Å; Q1652-S1655 PolarHBondContact O-N 3.21Å; Q1652-S1655 PolarHBondContact O-OG 2.98Å |
| 1656 | Q | 43.7 | Very low | 39.3 | Very low | 151 Ų | 151 | 109.1 Ų | 109.1 | 71% | 0.706 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -12.8 | -179.2 | -73.5 | 176 | -7.6 | 0 | 0 | 113.5 | Q1652 R1653 I1654 K1658 | Q1652-Q1656 WeakPolarHBondContact O-CG 3.44Å; Q1652-Q1656 PolarHBondContact O-N 3.45Å; R1653-Q1656 PolarHBondContact O-N 3.26Å; I1654-Q1656 VanDerWaalsContact C-N 3.3Å; I1654-Q1656 PolarHBondContact O-N 2.67Å; Q1656-K1658 PolarHBondContact O-N 3.29Å |
| 1657 | C | 36.9 | Very low | 38.7 | Very low | 37 Ų | 37 | 105.7 Ų | 105.7 | 25% | 0.25 | 53% | 0.527 | C | S | . | . | trans | -81.4 | 103.4 | 179 | -65.6 | 0 | 0 | 0 | 0 | 110.9 | T1659 L1666 | C1657-T1659 PolarHBondContact O-N 3.45Å; C1657-L1666 WeakPolarHBondContact SG-CD1 3.44Å | ||
| 1658 | K | 38.9 | Very low | 38.6 | Very low | 204 Ų | 204 | 106.3 Ų | 106.3 | 89% | 0.887 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -73.5 | -12.3 | 176.4 | -75.4 | -178.2 | 177.1 | 176.5 | 0 | 113.8 | Q1656 | Q1656-K1658 PolarHBondContact O-N 3.29Š|
| 1659 | T | 36.1 | Very low | 38.6 | Very low | 73 Ų | 73 | 105.1 Ų | 105.1 | 45% | 0.448 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -142.9 | 130.8 | -172.7 | 27.5 | 0 | 0 | 0 | 0 | 111.4 | C1657 Q1661 D1662 | C1657-T1659 PolarHBondContact O-N 3.45Å; T1659-Q1661 PolarHBondContact O-N 3.25Å; T1659-D1662 PolarHBondContact O-N 3.04Å; T1659-D1662 PolarHBondContact OG1-OD2 3.47Å |
| 1660 | L | 36.8 | Very low | 38.5 | Very low | 108 Ų | 108 | 107.4 Ų | 107.4 | 57% | 0.565 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -59.6 | -13.1 | 176.2 | -102 | 146.6 | 0 | 0 | 0 | 113.7 | P1552 D1662 Y1663 | P1552-L1660 HydrophobicContact CB-CD1 3.83Å; P1552-L1660 HydrophobicContact CB-CD2 4.13Å; P1552-L1660 HydrophobicContact CG-CD1 4.25Å; L1660-D1662 VanDerWaalsContact C-N 3.34Å; L1660-Y1663 HydrophobicContact CD2-CD2 4.45Å |
| 1661 | Q | 40.7 | Very low | 38.7 | Very low | 170 Ų | 170 | 112.2 Ų | 112.2 | 79% | 0.794 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -73.4 | -18.3 | 177.2 | -71.3 | -176.6 | -15 | 0 | 0 | 114.2 | T1659 P1664 | T1659-Q1661 PolarHBondContact O-N 3.25Å; Q1661-P1664 WeakPolarHBondContact O-CD 3.45Å |
| 1662 | D | 44.1 | Very low | 39 | Very low | 65 Ų | 65 | 111.4 Ų | 111.4 | 35% | 0.348 | 54% | 0.543 | S | S | . | . | G | 310 helix | trans | -87.8 | -11.4 | -177.9 | -62.3 | -52.1 | 0 | 0 | 0 | 113.6 | T1659 L1660 P1664 R1665 | T1659-D1662 PolarHBondContact O-N 3.04Å; T1659-D1662 PolarHBondContact OG1-OD2 3.47Å; L1660-D1662 VanDerWaalsContact C-N 3.34Å; D1662-P1664 VanDerWaalsContact C-CD 3.46Å; D1662-R1665 PolarHBondContact O-N 3.05Å |
| 1663 | Y | 40.6 | Very low | 38.8 | Very low | 48 Ų | 48 | 111.2 Ų | 111.2 | 19% | 0.188 | 54% | 0.544 | C | S | . | . | G | 310 helix | trans | -56.4 | -39.3 | -178.5 | -109.4 | -87.5 | 0 | 0 | 0 | 115.3 | L1641 I1654 L1660 R1665 L1666 L1667 | L1641-Y1663 HydrophobicContact CD2-CD1 3.93Å; L1641-Y1663 HydrophobicContact CD2-CE1 3.57Å; I1654-Y1663 WeakPolarHBondContact CG2-OH 3.34Å; L1660-Y1663 HydrophobicContact CD2-CD2 4.45Å; Y1663-R1665 VanDerWaalsContact C-N 3.29Å; Y1663-R1665 PolarHBondContact O-N 3.16Å; Y1663-L1666 PolarHBondContact O-N 3.1Å; Y1663-L1667 PolarHBondContact O-N 3.26Å |
| 1664 | P | 36.1 | Very low | 38.8 | Very low | 81 Ų | 81 | 109.6 Ų | 109.6 | 53% | 0.526 | 55% | 0.547 | S | S | . | . | G | 310 helix | trans | -72.5 | -13.7 | -179.4 | -18.3 | 31.8 | 0 | 0 | 0 | 115.4 | Q1661 D1662 | Q1661-P1664 WeakPolarHBondContact O-CD 3.45Å; D1662-P1664 VanDerWaalsContact C-CD 3.46Å |
| 1665 | R | 33.9 | Very low | 38.6 | Very low | 232 Ų | 232 | 112.9 Ų | 112.9 | 88% | 0.875 | 56% | 0.563 | S | S | * | * | G | 310 helix | trans | -90.4 | -12.8 | 175.3 | -79.6 | -179.5 | 170.9 | 173.3 | -3.7 | 112.8 | D1662 Y1663 | D1662-R1665 PolarHBondContact O-N 3.05Å; Y1663-R1665 VanDerWaalsContact C-N 3.29Å; Y1663-R1665 PolarHBondContact O-N 3.16Å |
| 1666 | L | 38.1 | Very low | 38.2 | Very low | 97 Ų | 97 | 114.6 Ų | 114.6 | 51% | 0.508 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.6 | -23.4 | -174.8 | -117.4 | 150.7 | 0 | 0 | 0 | 112.5 | R1653 C1657 Y1663 | R1653-L1666 HydrophobicContact CB-CD2 4.5Å; C1657-L1666 WeakPolarHBondContact SG-CD1 3.44Å; Y1663-L1666 PolarHBondContact O-N 3.1Å |
| 1667 | L | 32 | Very low | 37.7 | Very low | 109 Ų | 109 | 111.3 Ų | 111.3 | 57% | 0.571 | 54% | 0.542 | S | S | * | . | trans | -82.6 | 0 | 164.2 | -93.5 | 155.5 | 0 | 0 | 0 | 109.8 | L1545 V1637 Y1663 | L1545-L1667 HydrophobicContact CD1-CD1 4.32Å; V1637-L1667 HydrophobicContact CG1-CD2 4.13Å; Y1663-L1667 PolarHBondContact O-N 3.26Å |
Retrieved 1,667 of 1,667 residues in 1570.5 ms
(Link to these results)