| 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 | 38.7 | Very low | 45.3 | Very low | 250 Ų | 250 | 136.6 Ų | 136.6 | 100% | 1.232 | 84% | 0.837 | S | S | * | * | 0 | 129.3 | 0 | -82 | 163.1 | 140.2 | 0 | 0 | 108.2 | |||||
| 2 | M | 42.3 | Very low | 45.6 | Very low | 170 Ų | 170 | 131.8 Ų | 131.8 | 84% | 0.837 | 84% | 0.835 | S | S | * | * | trans | -79.1 | 172.7 | -170.3 | -116.5 | -160.9 | 169.6 | 0 | 0 | 112.1 | A4 | M2-A4 HydrophobicContact CE-CB 4.48Š| ||
| 3 | P | 49.3 | Very low | 45.8 | Very low | 119 Ų | 119 | 132.2 Ų | 132.2 | 77% | 0.773 | 83% | 0.834 | S | S | * | * | cis | -143.5 | 162 | 43.6 | 36 | -13.6 | 0 | 0 | 0 | 118.6 | ||||
| 4 | A | 52.6 | Low | 46.6 | Very low | 71 Ų | 71 | 130.6 Ų | 130.6 | 59% | 0.587 | 83% | 0.83 | S | S | * | * | trans | -64.9 | 150.3 | 162.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | M2 | M2-A4 HydrophobicContact CE-CB 4.48Š| ||
| 5 | R | 43.1 | Very low | 47.5 | Very low | 236 Ų | 236 | 126.4 Ų | 126.4 | 89% | 0.891 | 81% | 0.806 | S | S | * | * | trans | -134.1 | 100.2 | 155.5 | -86.2 | -171.5 | 169.7 | 168.9 | -2.6 | 109.7 | ||||
| 6 | S | 48.8 | Very low | 48.4 | Very low | 108 Ų | 108 | 127.6 Ų | 127.6 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | trans | -71.8 | 135.3 | 153.9 | 31.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 7 | T | 46.3 | Very low | 49.2 | Very low | 135 Ų | 135 | 130.5 Ų | 130.5 | 83% | 0.828 | 80% | 0.802 | S | S | * | * | trans | -140.7 | 119.5 | 161.9 | -35.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 8 | V | 48 | Very low | 50.3 | Low | 131 Ų | 131 | 127.8 Ų | 127.8 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | -99 | 149 | -176.7 | 178.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 9 | A | 43.9 | Very low | 51.3 | Low | 96 Ų | 96 | 131.3 Ų | 131.3 | 79% | 0.793 | 79% | 0.788 | S | S | * | * | trans | 72.3 | 145.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 10 | A | 43.8 | Very low | 52.2 | Low | 103 Ų | 103 | 134.9 Ų | 134.9 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | cis | -161.3 | 161.5 | 13.4 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 11 | G | 41.6 | Very low | 53.2 | Low | 84 Ų | 84 | 133.3 Ų | 133.3 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | trans | 116.9 | 94.2 | 143.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 12 | G | 48.5 | Very low | 54.5 | Low | 79 Ų | 79 | 133 Ų | 133 | 81% | 0.814 | 77% | 0.77 | S | S | * | * | trans | 100.1 | 43.5 | 133.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | S14 | G12-S14 PolarHBondContact O-N 3.23Š| ||
| 13 | V | 48 | Very low | 55.7 | Low | 136 Ų | 136 | 132.3 Ų | 132.3 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | trans | -81.2 | 95.4 | 156.5 | -172.9 | 0 | 0 | 0 | 0 | 107.2 | S15 | V13-S15 PolarHBondContact O-N 3.22Š| ||
| 14 | S | 57.5 | Low | 56.5 | Low | 110 Ų | 110 | 130.4 Ų | 130.4 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | trans | -68.9 | 76.6 | 162.5 | -175.2 | 0 | 0 | 0 | 0 | 108.2 | G12 N16 | G12-S14 PolarHBondContact O-N 3.23Å; S14-N16 PolarHBondContact O-N 3.19Å | ||
| 15 | S | 59.5 | Low | 57 | Low | 68 Ų | 68 | 129.6 Ų | 129.6 | 48% | 0.476 | 76% | 0.762 | S | S | . | * | trans | -80.7 | 89.6 | 170.2 | 169.3 | 0 | 0 | 0 | 0 | 106.2 | V13 K17 | V13-S15 PolarHBondContact O-N 3.22Å; S15-K17 PolarHBondContact O-N 3.06Å | ||
| 16 | N | 62.8 | Low | 57.9 | Low | 145 Ų | 145 | 125.6 Ų | 125.6 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | trans | -60.8 | 87.2 | 161.3 | -94.2 | -20 | 0 | 0 | 0 | 108 | S14 V18 | S14-N16 PolarHBondContact O-N 3.19Å; N16-V18 PolarHBondContact O-N 3.48Å | ||
| 17 | K | 61.3 | Low | 58.4 | Low | 178 Ų | 178 | 128.5 Ų | 128.5 | 77% | 0.774 | 76% | 0.76 | S | S | * | * | trans | -82.7 | 48.9 | -177.1 | -124.6 | -174.7 | -162.3 | -167.2 | 0 | 109.7 | S15 K19 | S15-K17 PolarHBondContact O-N 3.06Å; K17-K19 PolarHBondContact O-N 3.19Å | ||
| 18 | V | 69.9 | Low | 59.2 | Low | 82 Ų | 82 | 127.2 Ų | 127.2 | 50% | 0.497 | 75% | 0.748 | S | S | . | * | trans | -71.5 | 103.9 | 170.6 | -175.9 | 0 | 0 | 0 | 0 | 106 | N16 Y20 | N16-V18 PolarHBondContact O-N 3.48Å; V18-Y20 VanDerWaalsContact C-N 3.32Å; V18-Y20 HydrophobicContact CB-CD2 4.35Å; V18-Y20 HydrophobicContact CB-CE2 3.76Å; V18-Y20 HydrophobicContact CG1-CD1 4.25Å; V18-Y20 HydrophobicContact CG1-CD2 4.22Å; V18-Y20 HydrophobicContact CG1-CE1 3.83Å; V18-Y20 HydrophobicContact CG1-CE2 3.79Å; V18-Y20 HydrophobicContact CG1-CG 4.44Å; V18-Y20 VanDerWaalsContact O-CD2 3.23Å; V18-Y20 WeakPolarHBondContact O-CD2 3.23Å; V18-Y20 PolarHBondContact O-N 3.31Å | ||
| 19 | K | 69.1 | Low | 60.1 | Low | 194 Ų | 194 | 124.5 Ų | 124.5 | 84% | 0.843 | 75% | 0.747 | S | S | * | * | trans | -69.3 | 93.7 | 172.6 | -73.4 | -177.4 | 179 | -179 | 0 | 107.4 | K17 S21 | K17-K19 PolarHBondContact O-N 3.19Å; K19-S21 PolarHBondContact O-N 2.8Å | ||
| 20 | Y | 68.1 | Low | 61.1 | Low | 203 Ų | 203 | 127.7 Ų | 127.7 | 80% | 0.796 | 74% | 0.739 | S | S | * | * | trans | -72.1 | 106.4 | 166.5 | -62.9 | -79.8 | 0 | 0 | 0 | 107.7 | V18 | V18-Y20 VanDerWaalsContact C-N 3.32Å; V18-Y20 HydrophobicContact CB-CD2 4.35Å; V18-Y20 HydrophobicContact CB-CE2 3.76Å; V18-Y20 HydrophobicContact CG1-CD1 4.25Å; V18-Y20 HydrophobicContact CG1-CD2 4.22Å; V18-Y20 HydrophobicContact CG1-CE1 3.83Å; V18-Y20 HydrophobicContact CG1-CE2 3.79Å; V18-Y20 HydrophobicContact CG1-CG 4.44Å; V18-Y20 VanDerWaalsContact O-CD2 3.23Å; V18-Y20 WeakPolarHBondContact O-CD2 3.23Å; V18-Y20 PolarHBondContact O-N 3.31Å | ||
| 21 | S | 74.6 | Confident | 62.5 | Low | 102 Ų | 102 | 127.7 Ų | 127.7 | 71% | 0.713 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 127.4 | 164 | 50.4 | 0 | 0 | 0 | 0 | 108 | K19 L23 | K19-S21 PolarHBondContact O-N 2.8Å; S21-L23 PolarHBondContact O-N 2.98Å |
| 22 | R | 65.5 | Low | 63.9 | Low | 244 Ų | 244 | 130.4 Ų | 130.4 | 92% | 0.921 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -58 | 123.9 | 167.7 | -167.8 | 176.3 | 176.9 | 152.3 | -1.2 | 107 | A24 | R22-A24 PolarHBondContact O-N 2.72Š|
| 23 | L | 66.6 | Low | 64.8 | Low | 155 Ų | 155 | 132.3 Ų | 132.3 | 81% | 0.812 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -54 | 139.8 | 172.8 | -68.4 | 167.1 | 0 | 0 | 0 | 107.8 | S21 G25 | S21-L23 PolarHBondContact O-N 2.98Å; L23-G25 PolarHBondContact O-N 2.96Å |
| 24 | A | 67.1 | Low | 65.9 | Low | 78 Ų | 78 | 130 Ų | 130 | 65% | 0.645 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 120.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | R22 D26 | R22-A24 PolarHBondContact O-N 2.72Å; A24-D26 PolarHBondContact O-N 3.04Å |
| 25 | G | 63.5 | Low | 66.6 | Low | 55 Ų | 55 | 132.2 Ų | 132.2 | 57% | 0.567 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | 125.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | L23 | L23-G25 PolarHBondContact O-N 2.96Š|
| 26 | D | 62.2 | Low | 67.1 | Low | 151 Ų | 151 | 136.5 Ų | 136.5 | 81% | 0.807 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 86.5 | 22.4 | 157.5 | -46.4 | -26.1 | 0 | 0 | 0 | 117.7 | A24 | A24-D26 PolarHBondContact O-N 3.04Š|
| 27 | E | 58.1 | Low | 67.3 | Low | 170 Ų | 170 | 137.5 Ų | 137.5 | 79% | 0.794 | 69% | 0.693 | S | S | * | * | trans | -114.6 | 24 | 175.1 | -60.7 | -66.5 | 159.2 | 0 | 0 | 112.8 | G29 | E27-G29 PolarHBondContact O-N 3.34Š| ||
| 28 | D | 63.5 | Low | 67.4 | Low | 108 Ų | 108 | 133.7 Ų | 133.7 | 58% | 0.578 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -77.9 | -6.7 | -178 | -35.6 | 27.1 | 0 | 0 | 0 | 112 | Y30 | D28-Y30 HydrophobicContact CB-CD2 3.53Å; D28-Y30 HydrophobicContact CB-CE2 4.36Å; D28-Y30 HydrophobicContact CB-CG 4.23Å; D28-Y30 WeakPolarHBondContact O-CD2 3.49Å; D28-Y30 PolarHBondContact O-N 2.96Å |
| 29 | G | 67 | Low | 67.3 | Low | 74 Ų | 74 | 135.4 Ų | 135.4 | 76% | 0.763 | 70% | 0.702 | S | S | * | * | trans | 63.9 | 3.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114 | E27 | E27-G29 PolarHBondContact O-N 3.34Š| ||
| 30 | Y | 64.4 | Low | 67.3 | Low | 162 Ų | 162 | 130.1 Ų | 130.1 | 64% | 0.635 | 69% | 0.688 | S | S | * | * | trans | -90.2 | 115.2 | -176.5 | -73.4 | -47.9 | 0 | 0 | 0 | 110.2 | D28 Q34 | D28-Y30 HydrophobicContact CB-CD2 3.53Å; D28-Y30 HydrophobicContact CB-CE2 4.36Å; D28-Y30 HydrophobicContact CB-CG 4.23Å; D28-Y30 WeakPolarHBondContact O-CD2 3.49Å; D28-Y30 PolarHBondContact O-N 2.96Å; Y30-Q34 VanDerWaalsContact CD1-CD 3.46Å | ||
| 31 | I | 73.3 | Confident | 67.7 | Low | 104 Ų | 104 | 126.8 Ų | 126.8 | 53% | 0.533 | 68% | 0.677 | S | S | . | * | trans | -86.7 | 136 | 173.4 | 58.6 | 178.5 | 0 | 0 | 0 | 109.4 | L33 Q34 | I31-L33 HydrophobicContact CB-CB 4.39Å; I31-L33 HydrophobicContact CD1-CB 3.91Å; I31-L33 HydrophobicContact CD1-CD1 4.42Å; I31-L33 HydrophobicContact CG1-CB 4.03Å; I31-L33 PolarHBondContact O-N 3Å; I31-Q34 HydrophobicContact CG1-CB 4.23Å; I31-Q34 WeakPolarHBondContact O-CB 3.2Å; I31-Q34 WeakPolarHBondContact O-CG 3.45Å; I31-Q34 PolarHBondContact O-N 3.25Å | ||
| 32 | D | 70.4 | Confident | 67.9 | Low | 140 Ų | 140 | 123.6 Ų | 123.6 | 75% | 0.749 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -53.8 | -25.3 | 175 | -74.1 | -19.1 | 0 | 0 | 0 | 113.1 | Q34 F35 | D32-Q34 PolarHBondContact O-N 3.31Å; D32-F35 PolarHBondContact O-N 2.89Å |
| 33 | L | 68.7 | Low | 68.9 | Low | 120 Ų | 120 | 112.4 Ų | 112.4 | 63% | 0.628 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -60.8 | -26.3 | 174.8 | -73.1 | 154.2 | 0 | 0 | 0 | 113.5 | I31 F35 K36 | I31-L33 HydrophobicContact CB-CB 4.39Å; I31-L33 HydrophobicContact CD1-CB 3.91Å; I31-L33 HydrophobicContact CD1-CD1 4.42Å; I31-L33 HydrophobicContact CG1-CB 4.03Å; I31-L33 PolarHBondContact O-N 3Å; L33-F35 PolarHBondContact O-N 3.46Å; L33-K36 WeakPolarHBondContact O-CB 3.32Å; L33-K36 PolarHBondContact O-N 3.24Å |
| 34 | Q | 70.1 | Confident | 69.7 | Low | 87 Ų | 87 | 113.5 Ų | 113.5 | 41% | 0.407 | 61% | 0.607 | S | S | . | * | G | 310 helix | trans | -70.7 | -23.5 | 179.4 | 82.6 | -174.4 | -21.9 | 0 | 0 | 112.8 | Y30 I31 D32 | Y30-Q34 VanDerWaalsContact CD1-CD 3.46Å; I31-Q34 HydrophobicContact CG1-CB 4.23Å; I31-Q34 WeakPolarHBondContact O-CB 3.2Å; I31-Q34 WeakPolarHBondContact O-CG 3.45Å; I31-Q34 PolarHBondContact O-N 3.25Å; D32-Q34 PolarHBondContact O-N 3.31Å |
| 35 | F | 73.4 | Confident | 70.7 | Confident | 156 Ų | 156 | 115.5 Ų | 115.5 | 68% | 0.684 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -91 | -5.6 | 178 | -59 | -66.6 | 0 | 0 | 0 | 112 | D32 L33 K37 | D32-F35 PolarHBondContact O-N 2.89Å; L33-F35 PolarHBondContact O-N 3.46Å; F35-K37 PolarHBondContact O-N 2.78Å |
| 36 | K | 70.1 | Confident | 72 | Confident | 158 Ų | 158 | 113 Ų | 113 | 69% | 0.687 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -75.8 | 111.2 | 170.7 | -88.7 | -173.2 | 164.6 | 173.3 | 0 | 109.2 | L33 S38 | L33-K36 WeakPolarHBondContact O-CB 3.32Å; L33-K36 PolarHBondContact O-N 3.24Å; K36-S38 PolarHBondContact O-N 3.12Å |
| 37 | K | 65.8 | Low | 73.3 | Confident | 166 Ų | 166 | 107.7 Ų | 107.7 | 72% | 0.722 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -54 | 129.2 | 165.7 | -128.6 | -173.4 | -175.7 | -167.4 | 0 | 108.3 | F35 D114 | F35-K37 PolarHBondContact O-N 2.78Å; K37-D114 IonicContact NZ-OD2 2.72Å; K37-D114 PolarHBondContact NZ-OD2 3.25Å |
| 38 | S | 64.4 | Low | 74.8 | Confident | 99 Ų | 99 | 102.4 Ų | 102.4 | 69% | 0.692 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -52.9 | 150.1 | 171.3 | -72.8 | 0 | 0 | 0 | 0 | 110.3 | K36 | K36-S38 PolarHBondContact O-N 3.12Š|
| 39 | P | 67.8 | Low | 76.2 | Confident | 117 Ų | 117 | 100.6 Ų | 100.6 | 76% | 0.76 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -50.4 | 129.6 | 175.8 | -24.3 | 32.6 | 0 | 0 | 0 | 109.9 | K41 | P39-K41 PolarHBondContact O-N 3.41Å; P39-K41 VanDerWaalsContact O-N 3.07Å |
| 40 | P | 69 | Low | 77.5 | Confident | 84 Ų | 84 | 97.2 Ų | 97.2 | 55% | 0.545 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 117.4 | -177.6 | 22.6 | -31.1 | 0 | 0 | 0 | 109.1 | V42 | P40-V42 PolarHBondContact O-N 3.18Š|
| 41 | K | 76.3 | Confident | 78.9 | Confident | 133 Ų | 133 | 91.8 Ų | 91.8 | 58% | 0.578 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 124.6 | 173.8 | -175.2 | -172 | 171.8 | -159.4 | 0 | 107.4 | P39 P43 D120 | P39-K41 PolarHBondContact O-N 3.41Å; P39-K41 VanDerWaalsContact O-N 3.07Å; K41-P43 VanDerWaalsContact O-CD 3.3Å; K41-P43 WeakPolarHBondContact O-CD 3.17Å; K41-D120 IonicContact NZ-OD2 2.65Å; K41-D120 PolarHBondContact NZ-OD2 3.2Å |
| 42 | V | 79.1 | Confident | 79.9 | Confident | 35 Ų | 35 | 92.9 Ų | 92.9 | 21% | 0.212 | 47% | 0.471 | C | S | . | . | P | Polyproline II helix | trans | -75.4 | 120.2 | 176.7 | -178.1 | 0 | 0 | 0 | 0 | 108.5 | P40 Y44 I47 Y113 | P40-V42 PolarHBondContact O-N 3.18Å; V42-Y44 VanDerWaalsContact C-N 3.29Å; V42-Y44 HydrophobicContact CB-CD2 4.25Å; V42-Y44 HydrophobicContact CB-CE1 4.33Å; V42-Y44 HydrophobicContact CB-CE2 3.77Å; V42-Y44 HydrophobicContact CG1-CD1 4.13Å; V42-Y44 HydrophobicContact CG1-CD2 4.38Å; V42-Y44 HydrophobicContact CG1-CE1 3.88Å; V42-Y44 HydrophobicContact CG1-CE2 4.15Å; V42-Y44 HydrophobicContact CG1-CG 4.37Å; V42-Y44 WeakPolarHBondContact O-CD2 3.08Å; V42-Y44 PolarHBondContact O-N 3.02Å; V42-I47 HydrophobicContact CG1-CD1 3.7Å; V42-Y113 HydrophobicContact CG1-CD1 4.4Å; V42-Y113 HydrophobicContact CG1-CE1 4.04Å; V42-Y113 HydrophobicContact CG2-CD2 4.22Å; V42-Y113 HydrophobicContact CG2-CE2 3.87Å |
| 43 | P | 85.3 | Confident | 81.1 | Confident | 8 Ų | 8 | 88.5 Ų | 88.5 | 5% | 0.052 | 45% | 0.448 | C | S | . | . | trans | -80.3 | 76.5 | -178.5 | 32.5 | -35.2 | 0 | 0 | 0 | 110.1 | K41 K45 A46 I47 Y113 I116 | K41-P43 VanDerWaalsContact O-CD 3.3Å; K41-P43 WeakPolarHBondContact O-CD 3.17Å; P43-K45 VanDerWaalsContact C-N 3.3Å; P43-K45 PolarHBondContact O-N 3.27Å; P43-A46 HydrophobicContact CB-CB 4.03Å; P43-A46 HydrophobicContact CG-CB 4.49Å; P43-A46 PolarHBondContact O-N 3.31Å; P43-I47 WeakPolarHBondContact O-CG1 3.31Å; P43-I47 PolarHBondContact O-N 3.23Å; P43-I47 VanDerWaalsContact O-N 3.1Å; P43-Y113 HydrophobicContact CG-CD1 4.41Å; P43-I116 HydrophobicContact CG-CB 4.02Å; P43-I116 HydrophobicContact CG-CD1 4.18Å; P43-I116 HydrophobicContact CG-CG2 4.03Å | ||
| 44 | Y | 85.3 | Confident | 82.4 | Confident | 178 Ų | 178 | 85.3 Ų | 85.3 | 70% | 0.698 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -58.1 | -38.4 | -175.2 | -68.5 | -77.9 | 0 | 0 | 0 | 113.4 | V42 I47 A48 | V42-Y44 VanDerWaalsContact C-N 3.29Å; V42-Y44 HydrophobicContact CB-CD2 4.25Å; V42-Y44 HydrophobicContact CB-CE1 4.33Å; V42-Y44 HydrophobicContact CB-CE2 3.77Å; V42-Y44 HydrophobicContact CG1-CD1 4.13Å; V42-Y44 HydrophobicContact CG1-CD2 4.38Å; V42-Y44 HydrophobicContact CG1-CE1 3.88Å; V42-Y44 HydrophobicContact CG1-CE2 4.15Å; V42-Y44 HydrophobicContact CG1-CG 4.37Å; V42-Y44 WeakPolarHBondContact O-CD2 3.08Å; V42-Y44 PolarHBondContact O-N 3.02Å; Y44-I47 PolarHBondContact O-N 3.38Å; Y44-A48 WeakPolarHBondContact O-CB 3.24Å; Y44-A48 PolarHBondContact O-N 3.28Å |
| 45 | K | 88 | Confident | 83.7 | Confident | 121 Ų | 121 | 86.1 Ų | 86.1 | 53% | 0.526 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 178.1 | -64.7 | -168.7 | -169.2 | 154.3 | 0 | 111.8 | P43 A48 L49 D120 | P43-K45 VanDerWaalsContact C-N 3.3Å; P43-K45 PolarHBondContact O-N 3.27Å; K45-A48 PolarHBondContact O-N 2.72Å; K45-L49 PolarHBondContact O-N 3.06Å; K45-D120 WeakPolarHBondContact CD-OD1 3.32Å; K45-D120 WeakPolarHBondContact CE-OD1 3.37Å; K45-D120 IonicContact NZ-OD1 2.66Å; K45-D120 PolarHBondContact NZ-OD1 3.15Å |
| 46 | A | 88.9 | Confident | 84.9 | Confident | 3 Ų | 3 | 81.6 Ų | 81.6 | 3% | 0.025 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -65.5 | -41.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | P43 A48 L49 A50 I116 P117 F119 | P43-A46 HydrophobicContact CB-CB 4.03Å; P43-A46 HydrophobicContact CG-CB 4.49Å; P43-A46 PolarHBondContact O-N 3.31Å; A46-A48 VanDerWaalsContact C-N 3.34Å; A46-L49 PolarHBondContact O-N 3.3Å; A46-A50 WeakPolarHBondContact O-CB 3.15Å; A46-A50 PolarHBondContact O-N 3Å; A46-I116 HydrophobicContact CB-CG2 3.38Å; A46-P117 WeakPolarHBondContact CB-O 3.36Å; A46-F119 HydrophobicContact CB-CD2 3.67Å; A46-F119 HydrophobicContact CB-CE2 3.95Å |
| 47 | I | 89.4 | Confident | 86.1 | Confident | 38 Ų | 38 | 74 Ų | 74 | 20% | 0.195 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64 | -41.5 | 175.7 | -65.2 | 162.5 | 0 | 0 | 0 | 110.6 | V42 P43 Y44 A50 T51 A101 Y113 I116 | V42-I47 HydrophobicContact CG1-CD1 3.7Å; P43-I47 WeakPolarHBondContact O-CG1 3.31Å; P43-I47 PolarHBondContact O-N 3.23Å; P43-I47 VanDerWaalsContact O-N 3.1Å; Y44-I47 PolarHBondContact O-N 3.38Å; I47-A50 PolarHBondContact O-N 3.03Å; I47-T51 WeakPolarHBondContact O-CB 3.42Å; I47-T51 PolarHBondContact O-N 2.68Å; I47-T51 PolarHBondContact O-OG1 2.89Å; I47-A101 HydrophobicContact CD1-CB 4.3Å; I47-A101 HydrophobicContact CG1-CB 3.91Å; I47-Y113 HydrophobicContact CD1-CD1 4.45Å; I47-Y113 HydrophobicContact CD1-CE1 4.09Å; I47-I116 HydrophobicContact CG1-CD1 4.4Å |
| 48 | A | 91.6 | Very high | 87.6 | Confident | 59 Ų | 59 | 67.6 Ų | 67.6 | 49% | 0.488 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.5 | -45.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y44 K45 A46 T51 F52 | Y44-A48 WeakPolarHBondContact O-CB 3.24Å; Y44-A48 PolarHBondContact O-N 3.28Å; K45-A48 PolarHBondContact O-N 2.72Å; A46-A48 VanDerWaalsContact C-N 3.34Å; A48-T51 PolarHBondContact O-N 3.3Å; A48-F52 WeakPolarHBondContact O-CB 3.28Å; A48-F52 PolarHBondContact O-N 3.36Å |
| 49 | L | 92.4 | Very high | 89.2 | Confident | 71 Ų | 71 | 67.8 Ų | 67.8 | 37% | 0.372 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.7 | -51.4 | 175 | -172.3 | 167.8 | 0 | 0 | 0 | 111.2 | K45 A46 T51 F52 L53 F119 | K45-L49 PolarHBondContact O-N 3.06Å; A46-L49 PolarHBondContact O-N 3.3Å; L49-T51 VanDerWaalsContact C-N 3.26Å; L49-T51 PolarHBondContact O-N 3.48Å; L49-F52 WeakPolarHBondContact O-CB 3.3Å; L49-F52 PolarHBondContact O-N 3.31Å; L49-F52 VanDerWaalsContact O-N 3.07Å; L49-L53 HydrophobicContact CD2-CD1 3.68Å; L49-L53 HydrophobicContact CD2-CD2 3.81Å; L49-L53 HydrophobicContact CD2-CG 4.27Å; L49-L53 HydrophobicContact CG-CD1 4.37Å; L49-L53 PolarHBondContact O-N 2.89Å; L49-F119 HydrophobicContact CD1-CD2 4.44Å; L49-F119 HydrophobicContact CD1-CE1 4.47Å; L49-F119 HydrophobicContact CD1-CE2 4.13Å; L49-F119 HydrophobicContact CD1-CZ 4.14Å |
| 50 | A | 93.2 | Very high | 90.5 | Very high | 3 Ų | 3 | 64.3 Ų | 64.3 | 3% | 0.025 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.1 | -40.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A46 I47 F54 G94 H97 | A46-A50 WeakPolarHBondContact O-CB 3.15Å; A46-A50 PolarHBondContact O-N 3Å; I47-A50 PolarHBondContact O-N 3.03Å; A50-F54 VanDerWaalsContact O-CB 3.26Å; A50-F54 WeakPolarHBondContact O-CB 3.2Å; A50-F54 PolarHBondContact O-N 3.23Å; A50-G94 WeakPolarHBondContact O-CA 3.41Å; A50-H97 HydrophobicContact CB-CB 3.74Å |
| 51 | T | 93.9 | Very high | 91.8 | Very high | 48 Ų | 48 | 62.4 Ų | 62.4 | 29% | 0.294 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.5 | -43.8 | 175.4 | -54.2 | 0 | 0 | 0 | 0 | 111.2 | I47 A48 L49 F54 L55 | I47-T51 WeakPolarHBondContact O-CB 3.42Å; I47-T51 PolarHBondContact O-N 2.68Å; I47-T51 PolarHBondContact O-OG1 2.89Å; A48-T51 PolarHBondContact O-N 3.3Å; L49-T51 VanDerWaalsContact C-N 3.26Å; L49-T51 PolarHBondContact O-N 3.48Å; T51-F54 PolarHBondContact O-N 3.36Å; T51-L55 HydrophobicContact CG2-CD1 4.12Å; T51-L55 HydrophobicContact CG2-CG 4.42Å; T51-L55 WeakPolarHBondContact O-CB 3.14Å; T51-L55 VanDerWaalsContact O-CG 3.26Å; T51-L55 WeakPolarHBondContact O-CG 3.47Å; T51-L55 PolarHBondContact O-N 3.49Å |
| 52 | F | 95.6 | Very high | 92.6 | Very high | 127 Ų | 127 | 60 Ų | 60 | 56% | 0.557 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -61.5 | -48.4 | 177.2 | 177 | -102.1 | 0 | 0 | 0 | 112.3 | A48 L49 F54 L55 I56 | A48-F52 WeakPolarHBondContact O-CB 3.28Å; A48-F52 PolarHBondContact O-N 3.36Å; L49-F52 WeakPolarHBondContact O-CB 3.3Å; L49-F52 PolarHBondContact O-N 3.31Å; L49-F52 VanDerWaalsContact O-N 3.07Å; F52-F54 VanDerWaalsContact C-N 3.34Å; F52-F54 PolarHBondContact O-N 3.44Å; F52-L55 PolarHBondContact O-N 2.84Å; F52-I56 HydrophobicContact CD1-CD1 3.99Å; F52-I56 HydrophobicContact CD2-CD1 3.97Å; F52-I56 HydrophobicContact CE1-CD1 3.42Å; F52-I56 VanDerWaalsContact CE1-CD1 3.42Å; F52-I56 HydrophobicContact CE2-CD1 3.41Å; F52-I56 VanDerWaalsContact CE2-CD1 3.41Å; F52-I56 HydrophobicContact CE2-CG1 4.37Å; F52-I56 HydrophobicContact CG-CD1 4.25Å; F52-I56 HydrophobicContact CZ-CD1 3.11Å; F52-I56 HydrophobicContact CZ-CG1 4.42Å; F52-I56 PolarHBondContact O-N 3.23Å |
| 53 | L | 95.2 | Very high | 93.3 | Very high | 48 Ų | 48 | 61.8 Ų | 61.8 | 25% | 0.251 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.9 | -43.7 | 175.1 | -96.5 | 58.7 | 0 | 0 | 0 | 111.7 | L49 G57 V90 P93 | L49-L53 HydrophobicContact CD2-CD1 3.68Å; L49-L53 HydrophobicContact CD2-CD2 3.81Å; L49-L53 HydrophobicContact CD2-CG 4.27Å; L49-L53 HydrophobicContact CG-CD1 4.37Å; L49-L53 PolarHBondContact O-N 2.89Å; L53-G57 PolarHBondContact O-N 2.72Å; L53-V90 HydrophobicContact CB-CG1 4.44Å; L53-V90 HydrophobicContact CG-CG1 4.22Å; L53-P93 HydrophobicContact CD2-CG 4.27Å |
| 54 | F | 96.3 | Very high | 93.5 | Very high | 52 Ų | 52 | 61.4 Ų | 61.4 | 23% | 0.228 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.8 | -45.9 | 177.8 | 172.7 | -101.1 | 0 | 0 | 0 | 112 | A50 T51 F52 S58 F91 F95 L98 | A50-F54 VanDerWaalsContact O-CB 3.26Å; A50-F54 WeakPolarHBondContact O-CB 3.2Å; A50-F54 PolarHBondContact O-N 3.23Å; T51-F54 PolarHBondContact O-N 3.36Å; F52-F54 VanDerWaalsContact C-N 3.34Å; F52-F54 PolarHBondContact O-N 3.44Å; F54-S58 VanDerWaalsContact O-CB 3.24Å; F54-S58 WeakPolarHBondContact O-CB 3.48Å; F54-S58 PolarHBondContact O-N 3.21Å; F54-S58 PolarHBondContact O-OG 2.89Å; F54-F91 AromaticContact CD2-CD2 3.92Å; F54-F91 HydrophobicContact CD2-CD2 3.92Å; F54-F91 AromaticContact CD2-CE2 3.48Å; F54-F91 HydrophobicContact CD2-CE2 3.48Å; F54-F91 VanDerWaalsContact CD2-CE2 3.48Å; F54-F91 HydrophobicContact CD2-CZ 4.14Å; F54-F91 HydrophobicContact CE2-CD2 4.11Å; F54-F91 AromaticContact CE2-CE2 3.22Å; F54-F91 HydrophobicContact CE2-CE2 3.22Å; F54-F91 AromaticContact CE2-CZ 3.71Å; F54-F91 HydrophobicContact CE2-CZ 3.71Å; F54-F91 HydrophobicContact CZ-CE2 4.19Å; F54-F95 HydrophobicContact CD2-CB 4Å; F54-F95 HydrophobicContact CD2-CD2 4.15Å; F54-F95 HydrophobicContact CE2-CB 4.39Å; F54-F95 AromaticContact CE2-CD2 3.78Å; F54-F95 HydrophobicContact CE2-CD2 3.78Å; F54-L98 HydrophobicContact CB-CD2 4.19Å; F54-L98 HydrophobicContact CD1-CD2 3.82Å; F54-L98 HydrophobicContact CD2-CD2 4.41Å; F54-L98 HydrophobicContact CE1-CD2 4.32Å; F54-L98 HydrophobicContact CG-CD2 3.88Å |
| 55 | L | 97.6 | Very high | 93.8 | Very high | 105 Ų | 105 | 55.1 Ų | 55.1 | 55% | 0.55 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.1 | -47.2 | -179.6 | -70.3 | 175.2 | 0 | 0 | 0 | 111.9 | T51 F52 S58 L59 | T51-L55 HydrophobicContact CG2-CD1 4.12Å; T51-L55 HydrophobicContact CG2-CG 4.42Å; T51-L55 WeakPolarHBondContact O-CB 3.14Å; T51-L55 VanDerWaalsContact O-CG 3.26Å; T51-L55 WeakPolarHBondContact O-CG 3.47Å; T51-L55 PolarHBondContact O-N 3.49Å; F52-L55 PolarHBondContact O-N 2.84Å; L55-S58 PolarHBondContact O-N 3.4Å; L55-L59 WeakPolarHBondContact O-CB 3.4Å; L55-L59 PolarHBondContact O-N 3.44Å |
| 56 | I | 97.3 | Very high | 94 | Very high | 60 Ų | 60 | 53 Ų | 53 | 31% | 0.308 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.1 | -47.4 | 178.4 | -71.7 | 178.8 | 0 | 0 | 0 | 110.7 | F52 S58 L59 L60 V90 | F52-I56 HydrophobicContact CD1-CD1 3.99Å; F52-I56 HydrophobicContact CD2-CD1 3.97Å; F52-I56 HydrophobicContact CE1-CD1 3.42Å; F52-I56 VanDerWaalsContact CE1-CD1 3.42Å; F52-I56 HydrophobicContact CE2-CD1 3.41Å; F52-I56 VanDerWaalsContact CE2-CD1 3.41Å; F52-I56 HydrophobicContact CE2-CG1 4.37Å; F52-I56 HydrophobicContact CG-CD1 4.25Å; F52-I56 HydrophobicContact CZ-CD1 3.11Å; F52-I56 HydrophobicContact CZ-CG1 4.42Å; F52-I56 PolarHBondContact O-N 3.23Å; I56-S58 VanDerWaalsContact C-N 3.32Å; I56-S58 PolarHBondContact O-N 3.43Å; I56-L59 PolarHBondContact O-N 2.96Å; I56-L60 HydrophobicContact CG2-CD1 3.77Å; I56-L60 WeakPolarHBondContact O-CD1 3.47Å; I56-L60 PolarHBondContact O-N 2.81Å; I56-V90 HydrophobicContact CG2-CG1 4.49Å |
| 57 | G | 96.6 | Very high | 94 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.7 | -45.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L53 L59 L60 I61 | L53-G57 PolarHBondContact O-N 2.72Å; G57-L59 PolarHBondContact O-N 3.43Å; G57-L60 PolarHBondContact O-N 3.07Å; G57-I61 VanDerWaalsContact O-CG1 3.23Å; G57-I61 WeakPolarHBondContact O-CG1 3.4Å; G57-I61 PolarHBondContact O-N 3.3Å |
| 58 | S | 97.4 | Very high | 93.8 | Very high | 31 Ų | 31 | 58 Ų | 58 | 22% | 0.217 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.5 | -44.9 | 176 | -59.8 | 0 | 0 | 0 | 0 | 111.9 | F54 L55 I56 I61 V62 F91 | F54-S58 VanDerWaalsContact O-CB 3.24Å; F54-S58 WeakPolarHBondContact O-CB 3.48Å; F54-S58 PolarHBondContact O-N 3.21Å; F54-S58 PolarHBondContact O-OG 2.89Å; L55-S58 PolarHBondContact O-N 3.4Å; I56-S58 VanDerWaalsContact C-N 3.32Å; I56-S58 PolarHBondContact O-N 3.43Å; S58-I61 PolarHBondContact O-N 3.13Å; S58-V62 VanDerWaalsContact O-CG2 3.29Å; S58-V62 WeakPolarHBondContact O-CG2 3.24Å; S58-V62 PolarHBondContact O-N 3.24Å; S58-F91 WeakPolarHBondContact OG-CD2 3.44Å; S58-F91 VanDerWaalsContact OG-CE2 3.3Å; S58-F91 WeakPolarHBondContact OG-CE2 3.04Å |
| 59 | L | 96.6 | Very high | 93.6 | Very high | 102 Ų | 102 | 58.6 Ų | 58.6 | 53% | 0.534 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.2 | -46.3 | 177.8 | -178.7 | 65.9 | 0 | 0 | 0 | 111.4 | L55 I56 G57 I61 V62 I63 | L55-L59 WeakPolarHBondContact O-CB 3.4Å; L55-L59 PolarHBondContact O-N 3.44Å; I56-L59 PolarHBondContact O-N 2.96Å; G57-L59 PolarHBondContact O-N 3.43Å; L59-I61 VanDerWaalsContact C-N 3.34Å; L59-I61 PolarHBondContact O-N 3.2Å; L59-V62 PolarHBondContact O-N 3.33Å; L59-I63 HydrophobicContact CD1-CD1 3.94Å; L59-I63 HydrophobicContact CD1-CG1 4.34Å; L59-I63 HydrophobicContact CD2-CD1 4.49Å; L59-I63 HydrophobicContact CG-CD1 3.81Å; L59-I63 WeakPolarHBondContact O-CB 3.31Å; L59-I63 VanDerWaalsContact O-CG1 3.27Å; L59-I63 WeakPolarHBondContact O-CG1 3.3Å; L59-I63 PolarHBondContact O-N 3.47Å |
| 60 | L | 95.1 | Very high | 93.1 | Very high | 45 Ų | 45 | 58 Ų | 58 | 24% | 0.236 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63 | -39.6 | 177.7 | -92.2 | 69.9 | 0 | 0 | 0 | 111.9 | I56 G57 G64 I86 | I56-L60 HydrophobicContact CG2-CD1 3.77Å; I56-L60 WeakPolarHBondContact O-CD1 3.47Å; I56-L60 PolarHBondContact O-N 2.81Å; G57-L60 PolarHBondContact O-N 3.07Å; L60-G64 PolarHBondContact O-N 2.93Å; L60-I86 HydrophobicContact CD2-CG2 3.91Å |
| 61 | I | 95.9 | Very high | 92.6 | Very high | 44 Ų | 44 | 61.8 Ų | 61.8 | 23% | 0.226 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.5 | -46.2 | 175.9 | -68.8 | 166.6 | 0 | 0 | 0 | 110.6 | G57 S58 L59 G64 A65 L84 I88 F91 | G57-I61 VanDerWaalsContact O-CG1 3.23Å; G57-I61 WeakPolarHBondContact O-CG1 3.4Å; G57-I61 PolarHBondContact O-N 3.3Å; S58-I61 PolarHBondContact O-N 3.13Å; L59-I61 VanDerWaalsContact C-N 3.34Å; L59-I61 PolarHBondContact O-N 3.2Å; I61-G64 PolarHBondContact O-N 2.93Å; I61-A65 VanDerWaalsContact O-CB 3.22Å; I61-A65 WeakPolarHBondContact O-CB 3.4Å; I61-A65 PolarHBondContact O-N 2.65Å; I61-L84 HydrophobicContact CB-CD1 4.46Å; I61-L84 HydrophobicContact CG2-CD1 4.1Å; I61-I88 HydrophobicContact CD1-CG1 4.1Å; I61-I88 HydrophobicContact CG1-CG1 4.07Å; I61-F91 HydrophobicContact CD1-CB 3.59Å; I61-F91 HydrophobicContact CD1-CD1 4.25Å; I61-F91 HydrophobicContact CD1-CD2 4.07Å; I61-F91 HydrophobicContact CD1-CG 3.73Å |
| 62 | V | 94.9 | Very high | 91.8 | Very high | 83 Ų | 83 | 63.5 Ų | 63.5 | 50% | 0.503 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.5 | -47.6 | 178.7 | 170.3 | 0 | 0 | 0 | 0 | 110.4 | S58 L59 A65 L66 | S58-V62 VanDerWaalsContact O-CG2 3.29Å; S58-V62 WeakPolarHBondContact O-CG2 3.24Å; S58-V62 PolarHBondContact O-N 3.24Å; L59-V62 PolarHBondContact O-N 3.33Å; V62-A65 PolarHBondContact O-N 2.71Å; V62-L66 HydrophobicContact CG1-CD1 3.98Å; V62-L66 HydrophobicContact CG1-CG 4.45Å; V62-L66 WeakPolarHBondContact O-CB 3.39Å; V62-L66 VanDerWaalsContact O-CG 3.25Å; V62-L66 WeakPolarHBondContact O-CG 3.36Å; V62-L66 PolarHBondContact O-N 3.29Å |
| 63 | I | 92.1 | Very high | 90.7 | Very high | 71 Ų | 71 | 67.2 Ų | 67.2 | 36% | 0.364 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.9 | -48.8 | 177 | -66.7 | 169 | 0 | 0 | 0 | 110.3 | L59 A65 L66 L67 | L59-I63 HydrophobicContact CD1-CD1 3.94Å; L59-I63 HydrophobicContact CD1-CG1 4.34Å; L59-I63 HydrophobicContact CD2-CD1 4.49Å; L59-I63 HydrophobicContact CG-CD1 3.81Å; L59-I63 WeakPolarHBondContact O-CB 3.31Å; L59-I63 VanDerWaalsContact O-CG1 3.27Å; L59-I63 WeakPolarHBondContact O-CG1 3.3Å; L59-I63 PolarHBondContact O-N 3.47Å; I63-A65 VanDerWaalsContact C-N 3.3Å; I63-A65 PolarHBondContact O-N 2.68Å; I63-L66 PolarHBondContact O-N 3.46Å; I63-L67 HydrophobicContact CG2-CD1 3.82Å; I63-L67 HydrophobicContact CG2-CG 4.23Å; I63-L67 WeakPolarHBondContact O-CB 3.26Å; I63-L67 VanDerWaalsContact O-CG 3.22Å; I63-L67 WeakPolarHBondContact O-CG 3.26Å; I63-L67 PolarHBondContact O-N 3.06Å |
| 64 | G | 91.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -58.6 | -40 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L60 I61 L68 T80 | L60-G64 PolarHBondContact O-N 2.93Å; I61-G64 PolarHBondContact O-N 2.93Å; G64-L68 WeakPolarHBondContact O-CB 3.12Å; G64-L68 PolarHBondContact O-N 3.2Å; G64-T80 WeakPolarHBondContact O-CG2 3.5Å |
| 65 | A | 91.6 | Very high | 88.7 | Confident | 47 Ų | 47 | 70.4 Ų | 70.4 | 39% | 0.388 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -68.3 | -41.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I61 V62 I63 L68 A69 | I61-A65 VanDerWaalsContact O-CB 3.22Å; I61-A65 WeakPolarHBondContact O-CB 3.4Å; I61-A65 PolarHBondContact O-N 2.65Å; V62-A65 PolarHBondContact O-N 2.71Å; I63-A65 VanDerWaalsContact C-N 3.3Å; I63-A65 PolarHBondContact O-N 2.68Å; A65-L68 PolarHBondContact O-N 2.83Å; A65-A69 WeakPolarHBondContact O-CB 3.38Å; A65-A69 PolarHBondContact O-N 3.48Å |
| 66 | L | 90.7 | Very high | 87.6 | Confident | 76 Ų | 76 | 69.6 Ų | 69.6 | 40% | 0.398 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.4 | -40.2 | 176.2 | -72.2 | 173.2 | 0 | 0 | 0 | 112.3 | V62 I63 L68 A69 G70 S71 I72 | V62-L66 HydrophobicContact CG1-CD1 3.98Å; V62-L66 HydrophobicContact CG1-CG 4.45Å; V62-L66 WeakPolarHBondContact O-CB 3.39Å; V62-L66 VanDerWaalsContact O-CG 3.25Å; V62-L66 WeakPolarHBondContact O-CG 3.36Å; V62-L66 PolarHBondContact O-N 3.29Å; I63-L66 PolarHBondContact O-N 3.46Å; L66-L68 VanDerWaalsContact C-N 3.32Å; L66-A69 PolarHBondContact O-N 3.18Å; L66-G70 PolarHBondContact O-N 2.94Å; L66-S71 PolarHBondContact O-N 2.92Å; L66-I72 HydrophobicContact CB-CD1 4.4Å |
| 67 | L | 88.9 | Confident | 86.6 | Confident | 35 Ų | 35 | 70.8 Ų | 70.8 | 18% | 0.183 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -63 | -40.7 | 173.3 | -67.7 | 170.1 | 0 | 0 | 0 | 110.6 | I63 G70 I72 V74 T80 | I63-L67 HydrophobicContact CG2-CD1 3.82Å; I63-L67 HydrophobicContact CG2-CG 4.23Å; I63-L67 WeakPolarHBondContact O-CB 3.26Å; I63-L67 VanDerWaalsContact O-CG 3.22Å; I63-L67 WeakPolarHBondContact O-CG 3.26Å; I63-L67 PolarHBondContact O-N 3.06Å; L67-G70 PolarHBondContact O-N 3.34Å; L67-I72 HydrophobicContact CD2-CB 4.05Å; L67-I72 HydrophobicContact CD2-CD1 4.2Å; L67-I72 HydrophobicContact CD2-CG2 4.08Å; L67-V74 HydrophobicContact CB-CG2 4.46Å; L67-V74 HydrophobicContact CD2-CG2 3.36Å; L67-V74 HydrophobicContact CG-CG2 4.45Å; L67-T80 HydrophobicContact CB-CG2 3.47Å; L67-T80 VanDerWaalsContact CB-CG2 3.47Å |
| 68 | L | 86.5 | Confident | 85.8 | Confident | 110 Ų | 110 | 77.1 Ų | 77.1 | 58% | 0.576 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -71.2 | -34.5 | 179.8 | -172 | 64.7 | 0 | 0 | 0 | 112.1 | G64 A65 L66 G70 T80 L84 | G64-L68 WeakPolarHBondContact O-CB 3.12Å; G64-L68 PolarHBondContact O-N 3.2Å; A65-L68 PolarHBondContact O-N 2.83Å; L66-L68 VanDerWaalsContact C-N 3.32Å; L68-G70 PolarHBondContact O-N 3.22Å; L68-T80 HydrophobicContact CB-CG2 3.84Å; L68-T80 HydrophobicContact CD1-CG2 4.39Å; L68-L84 HydrophobicContact CD2-CD2 4.42Å |
| 69 | A | 87.2 | Confident | 85 | Confident | 73 Ų | 73 | 83.7 Ų | 83.7 | 60% | 0.603 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -5.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | A65 L66 S71 | A65-A69 WeakPolarHBondContact O-CB 3.38Å; A65-A69 PolarHBondContact O-N 3.48Å; L66-A69 PolarHBondContact O-N 3.18Å; A69-S71 PolarHBondContact O-N 3.3Å |
| 70 | G | 82.1 | Confident | 84.6 | Confident | 58 Ų | 58 | 79 Ų | 79 | 60% | 0.598 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.8 | 17.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L66 L67 L68 I72 | L66-G70 PolarHBondContact O-N 2.94Å; L67-G70 PolarHBondContact O-N 3.34Å; L68-G70 PolarHBondContact O-N 3.22Å; G70-I72 PolarHBondContact O-N 3.35Å |
| 71 | S | 81.1 | Confident | 84.4 | Confident | 83 Ų | 83 | 80.7 Ų | 80.7 | 58% | 0.58 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -71.7 | -20.3 | 177.4 | -58.5 | 0 | 0 | 0 | 0 | 112.5 | L66 A69 | L66-S71 PolarHBondContact O-N 2.92Å; A69-S71 PolarHBondContact O-N 3.3Å |
| 72 | I | 78.4 | Confident | 84.2 | Confident | 84 Ų | 84 | 81.7 Ų | 81.7 | 43% | 0.431 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -121 | 123.1 | 176.6 | -59.9 | 170.3 | 0 | 0 | 0 | 106.6 | L66 L67 G70 V74 | L66-I72 HydrophobicContact CB-CD1 4.4Å; L67-I72 HydrophobicContact CD2-CB 4.05Å; L67-I72 HydrophobicContact CD2-CD1 4.2Å; L67-I72 HydrophobicContact CD2-CG2 4.08Å; G70-I72 PolarHBondContact O-N 3.35Å; I72-V74 VanDerWaalsContact O-CG2 3.26Å; I72-V74 WeakPolarHBondContact O-CG2 3.46Å; I72-V74 PolarHBondContact O-N 3.31Å |
| 73 | E | 72.1 | Confident | 84.1 | Confident | 204 Ų | 204 | 80 Ų | 80 | 95% | 0.953 | 46% | 0.463 | S | S | * | . | trans | -66.7 | 114.1 | 172.8 | -105.4 | -173.9 | 162.7 | 0 | 0 | 109.5 | ||||
| 74 | V | 73.9 | Confident | 84.2 | Confident | 60 Ų | 60 | 78.5 Ų | 78.5 | 36% | 0.364 | 46% | 0.455 | S | S | . | . | trans | -113.9 | 128.2 | 179.5 | -154.2 | 0 | 0 | 0 | 0 | 108.7 | L67 I72 H76 | L67-V74 HydrophobicContact CB-CG2 4.46Å; L67-V74 HydrophobicContact CD2-CG2 3.36Å; L67-V74 HydrophobicContact CG-CG2 4.45Å; I72-V74 VanDerWaalsContact O-CG2 3.26Å; I72-V74 WeakPolarHBondContact O-CG2 3.46Å; I72-V74 PolarHBondContact O-N 3.31Å; V74-H76 PolarHBondContact O-N 3.37Å | ||
| 75 | S | 74.8 | Confident | 84.4 | Confident | 107 Ų | 107 | 82.8 Ų | 82.8 | 75% | 0.748 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -63.5 | -21.4 | 176.6 | 165.1 | 0 | 0 | 0 | 0 | 113.5 | ||
| 76 | H | 76.3 | Confident | 84.6 | Confident | 88 Ų | 88 | 84.9 Ų | 84.9 | 41% | 0.407 | 48% | 0.481 | S | S | . | . | trans | -134.7 | 82 | -178.1 | -65.4 | 80.6 | 0 | 0 | 0 | 110.8 | V74 D78 R79 | V74-H76 PolarHBondContact O-N 3.37Å; H76-D78 PolarHBondContact O-N 2.91Å; H76-D78 VanDerWaalsContact O-N 3.15Å; H76-R79 HydrophobicContact CB-CG 4Å; H76-R79 PolarHBondContact O-N 3.42Å; H76-R79 VanDerWaalsContact O-N 3.15Å | ||
| 77 | P | 74.8 | Confident | 84.8 | Confident | 85 Ų | 85 | 81.2 Ų | 81.2 | 55% | 0.552 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -59.6 | -26.1 | -178.4 | 22.5 | -32.1 | 0 | 0 | 0 | 113 | R79 T80 | P77-R79 PolarHBondContact O-N 2.9Å; P77-R79 VanDerWaalsContact O-N 3.09Å; P77-T80 WeakPolarHBondContact O-CB 3.02Å; P77-T80 PolarHBondContact O-N 3.41Å; P77-T80 PolarHBondContact O-OG1 3.1Å |
| 78 | D | 80.6 | Confident | 85.2 | Confident | 133 Ų | 133 | 83.1 Ų | 83.1 | 71% | 0.711 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -58.4 | -23.5 | 177.9 | -44.9 | -33.8 | 0 | 0 | 0 | 113.4 | H76 T80 P82 | H76-D78 PolarHBondContact O-N 2.91Å; H76-D78 VanDerWaalsContact O-N 3.15Å; D78-T80 VanDerWaalsContact C-N 3.32Å; D78-P82 WeakPolarHBondContact O-CD 3.14Å |
| 79 | R | 81.3 | Confident | 85.7 | Confident | 169 Ų | 169 | 83.4 Ų | 83.4 | 64% | 0.638 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -81.6 | -10.9 | -179.6 | -59.4 | -173.4 | -174.9 | -165.7 | 3.2 | 113.5 | H76 P77 P82 V83 | H76-R79 HydrophobicContact CB-CG 4Å; H76-R79 PolarHBondContact O-N 3.42Å; H76-R79 VanDerWaalsContact O-N 3.15Å; P77-R79 PolarHBondContact O-N 2.9Å; P77-R79 VanDerWaalsContact O-N 3.09Å; R79-P82 WeakPolarHBondContact O-CD 3.25Å; R79-V83 WeakPolarHBondContact O-CG2 2.88Å |
| 80 | T | 87.3 | Confident | 86.2 | Confident | 5 Ų | 5 | 82 Ų | 82 | 3% | 0.031 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -71.2 | -45.4 | -175.6 | -57 | 0 | 0 | 0 | 0 | 112.6 | G64 L67 L68 P77 D78 V83 L84 | G64-T80 WeakPolarHBondContact O-CG2 3.5Å; L67-T80 HydrophobicContact CB-CG2 3.47Å; L67-T80 VanDerWaalsContact CB-CG2 3.47Å; L68-T80 HydrophobicContact CB-CG2 3.84Å; L68-T80 HydrophobicContact CD1-CG2 4.39Å; P77-T80 WeakPolarHBondContact O-CB 3.02Å; P77-T80 PolarHBondContact O-N 3.41Å; P77-T80 PolarHBondContact O-OG1 3.1Å; D78-T80 VanDerWaalsContact C-N 3.32Å; T80-V83 PolarHBondContact O-N 3.31Å; T80-L84 PolarHBondContact O-N 2.66Å; T80-L84 VanDerWaalsContact O-N 3.12Å |
| 81 | V | 89.8 | Confident | 86.9 | Confident | 80 Ų | 80 | 81.7 Ų | 81.7 | 49% | 0.485 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.7 | -45.3 | -177.1 | 176.7 | 0 | 0 | 0 | 0 | 111.7 | V83 L84 I85 | V81-V83 PolarHBondContact O-N 3.37Å; V81-L84 PolarHBondContact O-N 2.94Å; V81-I85 HydrophobicContact CG1-CD1 3.81Å; V81-I85 HydrophobicContact CG1-CG1 4.4Å; V81-I85 WeakPolarHBondContact O-CG1 3.32Å; V81-I85 PolarHBondContact O-N 2.97Å |
| 82 | P | 92.6 | Very high | 87.6 | Confident | 64 Ų | 64 | 82.5 Ų | 82.5 | 42% | 0.416 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -57.3 | -41.9 | 173.4 | -27.4 | 35 | 0 | 0 | 0 | 114.2 | D78 R79 L84 I85 I86 | D78-P82 WeakPolarHBondContact O-CD 3.14Å; R79-P82 WeakPolarHBondContact O-CD 3.25Å; P82-L84 VanDerWaalsContact C-N 3.33Å; P82-L84 PolarHBondContact O-N 3.24Å; P82-I85 PolarHBondContact O-N 2.92Å; P82-I86 VanDerWaalsContact O-CG1 3.27Å; P82-I86 WeakPolarHBondContact O-CG1 3.29Å; P82-I86 PolarHBondContact O-N 3.36Å |
| 83 | V | 92.3 | Very high | 88.3 | Confident | 48 Ų | 48 | 81 Ų | 81 | 29% | 0.291 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 178.7 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | R79 T80 V81 I86 G87 | R79-V83 WeakPolarHBondContact O-CG2 2.88Å; T80-V83 PolarHBondContact O-N 3.31Å; V81-V83 PolarHBondContact O-N 3.37Å; V83-I86 PolarHBondContact O-N 3.32Å; V83-G87 PolarHBondContact O-N 2.91Å |
| 84 | L | 93.9 | Very high | 89.4 | Confident | 39 Ų | 39 | 71.3 Ų | 71.3 | 20% | 0.204 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 177 | -174.9 | 65 | 0 | 0 | 0 | 111.7 | I61 L68 T80 V81 P82 I86 G87 I88 | I61-L84 HydrophobicContact CB-CD1 4.46Å; I61-L84 HydrophobicContact CG2-CD1 4.1Å; L68-L84 HydrophobicContact CD2-CD2 4.42Å; T80-L84 PolarHBondContact O-N 2.66Å; T80-L84 VanDerWaalsContact O-N 3.12Å; V81-L84 PolarHBondContact O-N 2.94Å; P82-L84 VanDerWaalsContact C-N 3.33Å; P82-L84 PolarHBondContact O-N 3.24Å; L84-I86 PolarHBondContact O-N 3.01Å; L84-G87 PolarHBondContact O-N 3.46Å; L84-I88 HydrophobicContact CG-CD1 4.24Å; L84-I88 WeakPolarHBondContact O-CG1 3.23Å; L84-I88 PolarHBondContact O-N 3.21Å |
| 85 | I | 95.6 | Very high | 90.4 | Very high | 90 Ų | 90 | 73.4 Ų | 73.4 | 46% | 0.462 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.1 | -47.5 | 177.4 | -68.2 | 167.2 | 0 | 0 | 0 | 110.7 | V81 P82 G87 I88 L89 | V81-I85 HydrophobicContact CG1-CD1 3.81Å; V81-I85 HydrophobicContact CG1-CG1 4.4Å; V81-I85 WeakPolarHBondContact O-CG1 3.32Å; V81-I85 PolarHBondContact O-N 2.97Å; P82-I85 PolarHBondContact O-N 2.92Å; I85-G87 VanDerWaalsContact C-N 3.32Å; I85-G87 PolarHBondContact O-N 2.92Å; I85-I88 PolarHBondContact O-N 2.89Å; I85-L89 HydrophobicContact CG2-CD1 4.03Å; I85-L89 HydrophobicContact CG2-CG 4.42Å; I85-L89 WeakPolarHBondContact O-CG 3.15Å; I85-L89 PolarHBondContact O-N 3.43Å |
| 86 | I | 95.8 | Very high | 91.3 | Very high | 91 Ų | 91 | 74.6 Ų | 74.6 | 47% | 0.467 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 177.9 | -66.9 | 165.4 | 0 | 0 | 0 | 110.4 | L60 P82 V83 L84 I88 L89 V90 | L60-I86 HydrophobicContact CD2-CG2 3.91Å; P82-I86 VanDerWaalsContact O-CG1 3.27Å; P82-I86 WeakPolarHBondContact O-CG1 3.29Å; P82-I86 PolarHBondContact O-N 3.36Å; V83-I86 PolarHBondContact O-N 3.32Å; L84-I86 PolarHBondContact O-N 3.01Å; I86-I88 VanDerWaalsContact C-N 3.33Å; I86-I88 PolarHBondContact O-N 2.9Å; I86-L89 PolarHBondContact O-N 2.91Å; I86-V90 HydrophobicContact CG2-CG2 4.32Å; I86-V90 WeakPolarHBondContact O-CG2 3.46Å; I86-V90 PolarHBondContact O-N 2.84Å |
| 87 | G | 96.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -56.1 | -46.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | V83 L84 I85 V90 F91 | V83-G87 PolarHBondContact O-N 2.91Å; L84-G87 PolarHBondContact O-N 3.46Å; I85-G87 VanDerWaalsContact C-N 3.32Å; I85-G87 PolarHBondContact O-N 2.92Å; G87-V90 PolarHBondContact O-N 3.33Å; G87-F91 WeakPolarHBondContact O-CB 3.43Å; G87-F91 PolarHBondContact O-N 2.91Å |
| 88 | I | 96.8 | Very high | 92.9 | Very high | 74 Ų | 74 | 71 Ų | 71 | 38% | 0.379 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.5 | -48.2 | 176.5 | -67.7 | 169 | 0 | 0 | 0 | 111 | I61 L84 I85 I86 V90 F91 L92 | I61-I88 HydrophobicContact CD1-CG1 4.1Å; I61-I88 HydrophobicContact CG1-CG1 4.07Å; L84-I88 HydrophobicContact CG-CD1 4.24Å; L84-I88 WeakPolarHBondContact O-CG1 3.23Å; L84-I88 PolarHBondContact O-N 3.21Å; I85-I88 PolarHBondContact O-N 2.89Å; I86-I88 VanDerWaalsContact C-N 3.33Å; I86-I88 PolarHBondContact O-N 2.9Å; I88-V90 VanDerWaalsContact C-N 3.3Å; I88-V90 PolarHBondContact O-N 3.19Å; I88-F91 PolarHBondContact O-N 2.94Å; I88-L92 HydrophobicContact CG2-CD1 3.58Å; I88-L92 WeakPolarHBondContact O-CD1 3.27Å; I88-L92 PolarHBondContact O-N 3.4Å |
| 89 | L | 97.2 | Very high | 93.5 | Very high | 117 Ų | 117 | 69 Ų | 69 | 61% | 0.613 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -61.6 | -36.1 | -179.1 | -70.8 | 175.5 | 0 | 0 | 0 | 113 | I85 I86 P93 | I85-L89 HydrophobicContact CG2-CD1 4.03Å; I85-L89 HydrophobicContact CG2-CG 4.42Å; I85-L89 WeakPolarHBondContact O-CG 3.15Å; I85-L89 PolarHBondContact O-N 3.43Å; I86-L89 PolarHBondContact O-N 2.91Å; L89-P93 WeakPolarHBondContact O-CD 3.47Å |
| 90 | V | 96.7 | Very high | 94 | Very high | 44 Ų | 44 | 61.3 Ų | 61.3 | 27% | 0.267 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -77.5 | -35.8 | 176.4 | 175.6 | 0 | 0 | 0 | 0 | 111.6 | L53 I56 I86 G87 I88 P93 | L53-V90 HydrophobicContact CB-CG1 4.44Å; L53-V90 HydrophobicContact CG-CG1 4.22Å; I56-V90 HydrophobicContact CG2-CG1 4.49Å; I86-V90 HydrophobicContact CG2-CG2 4.32Å; I86-V90 WeakPolarHBondContact O-CG2 3.46Å; I86-V90 PolarHBondContact O-N 2.84Å; G87-V90 PolarHBondContact O-N 3.33Å; I88-V90 VanDerWaalsContact C-N 3.3Å; I88-V90 PolarHBondContact O-N 3.19Å; V90-P93 WeakPolarHBondContact O-CD 3.44Å; V90-P93 WeakPolarHBondContact O-CG 3.41Å |
| 91 | F | 96.6 | Very high | 94.1 | Very high | 50 Ų | 50 | 61.4 Ų | 61.4 | 22% | 0.219 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.3 | -43.7 | -179.2 | 176.1 | -92.7 | 0 | 0 | 0 | 113 | F54 S58 I61 G87 I88 G94 F95 | F54-F91 AromaticContact CD2-CD2 3.92Å; F54-F91 HydrophobicContact CD2-CD2 3.92Å; F54-F91 AromaticContact CD2-CE2 3.48Å; F54-F91 HydrophobicContact CD2-CE2 3.48Å; F54-F91 VanDerWaalsContact CD2-CE2 3.48Å; F54-F91 HydrophobicContact CD2-CZ 4.14Å; F54-F91 HydrophobicContact CE2-CD2 4.11Å; F54-F91 AromaticContact CE2-CE2 3.22Å; F54-F91 HydrophobicContact CE2-CE2 3.22Å; F54-F91 AromaticContact CE2-CZ 3.71Å; F54-F91 HydrophobicContact CE2-CZ 3.71Å; F54-F91 HydrophobicContact CZ-CE2 4.19Å; S58-F91 WeakPolarHBondContact OG-CD2 3.44Å; S58-F91 VanDerWaalsContact OG-CE2 3.3Å; S58-F91 WeakPolarHBondContact OG-CE2 3.04Å; I61-F91 HydrophobicContact CD1-CB 3.59Å; I61-F91 HydrophobicContact CD1-CD1 4.25Å; I61-F91 HydrophobicContact CD1-CD2 4.07Å; I61-F91 HydrophobicContact CD1-CG 3.73Å; G87-F91 WeakPolarHBondContact O-CB 3.43Å; G87-F91 PolarHBondContact O-N 2.91Å; I88-F91 PolarHBondContact O-N 2.94Å; F91-G94 PolarHBondContact O-N 3.01Å; F91-F95 HydrophobicContact CD1-CB 4.23Å; F91-F95 HydrophobicContact CE1-CB 3.82Å; F91-F95 HydrophobicContact CE1-CD1 4.45Å; F91-F95 HydrophobicContact CE1-CG 4.04Å; F91-F95 HydrophobicContact CE2-CB 4.48Å; F91-F95 HydrophobicContact CZ-CB 3.96Å; F91-F95 HydrophobicContact CZ-CD2 4.14Å; F91-F95 HydrophobicContact CZ-CG 4.05Å; F91-F95 WeakPolarHBondContact O-CB 3.2Å; F91-F95 PolarHBondContact O-N 2.92Å |
| 92 | L | 96.4 | Very high | 94.1 | Very high | 100 Ų | 100 | 63.1 Ų | 63.1 | 52% | 0.524 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -51.7 | -55.7 | -176.7 | -100.3 | 73.2 | 0 | 0 | 0 | 113.7 | I88 Y96 | I88-L92 HydrophobicContact CG2-CD1 3.58Å; I88-L92 WeakPolarHBondContact O-CD1 3.27Å; I88-L92 PolarHBondContact O-N 3.4Å; L92-Y96 VanDerWaalsContact O-CB 3.31Å; L92-Y96 WeakPolarHBondContact O-CB 3.4Å; L92-Y96 PolarHBondContact O-N 3.46Å |
| 93 | P | 94 | Very high | 94 | Very high | 52 Ų | 52 | 63.6 Ų | 63.6 | 34% | 0.338 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.8 | -38.2 | 179.3 | 24.4 | -32.7 | 0 | 0 | 0 | 112.2 | L53 L89 V90 Y96 H97 | L53-P93 HydrophobicContact CD2-CG 4.27Å; L89-P93 WeakPolarHBondContact O-CD 3.47Å; V90-P93 WeakPolarHBondContact O-CD 3.44Å; V90-P93 WeakPolarHBondContact O-CG 3.41Å; P93-Y96 PolarHBondContact O-N 3.07Å; P93-H97 PolarHBondContact O-CD2 2.88Å; P93-H97 PolarHBondContact O-N 3.3Å |
| 94 | G | 94.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.4 | -49.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A50 F91 L98 | A50-G94 WeakPolarHBondContact O-CA 3.41Å; F91-G94 PolarHBondContact O-N 3.01Å; G94-L98 WeakPolarHBondContact O-CB 3.37Å; G94-L98 PolarHBondContact O-N 3.34Å |
| 95 | F | 95.4 | Very high | 93.3 | Very high | 105 Ų | 105 | 63.5 Ų | 63.5 | 46% | 0.461 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64 | -42.9 | 178.3 | 179.4 | -110.3 | 0 | 0 | 0 | 112.2 | F54 F91 L98 R99 | F54-F95 HydrophobicContact CD2-CB 4Å; F54-F95 HydrophobicContact CD2-CD2 4.15Å; F54-F95 HydrophobicContact CE2-CB 4.39Å; F54-F95 AromaticContact CE2-CD2 3.78Å; F54-F95 HydrophobicContact CE2-CD2 3.78Å; F91-F95 HydrophobicContact CD1-CB 4.23Å; F91-F95 HydrophobicContact CE1-CB 3.82Å; F91-F95 HydrophobicContact CE1-CD1 4.45Å; F91-F95 HydrophobicContact CE1-CG 4.04Å; F91-F95 HydrophobicContact CE2-CB 4.48Å; F91-F95 HydrophobicContact CZ-CB 3.96Å; F91-F95 HydrophobicContact CZ-CD2 4.14Å; F91-F95 HydrophobicContact CZ-CG 4.05Å; F91-F95 WeakPolarHBondContact O-CB 3.2Å; F91-F95 PolarHBondContact O-N 2.92Å; F95-L98 PolarHBondContact O-N 3.03Å; F95-R99 WeakPolarHBondContact O-CB 3.35Å; F95-R99 PolarHBondContact O-N 3.43Å |
| 96 | Y | 93.4 | Very high | 92.9 | Very high | 132 Ų | 132 | 64.8 Ų | 64.8 | 52% | 0.518 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.2 | -51.7 | -179.3 | 175.5 | -100.4 | 0 | 0 | 0 | 112.2 | L92 P93 R99 I100 | L92-Y96 VanDerWaalsContact O-CB 3.31Å; L92-Y96 WeakPolarHBondContact O-CB 3.4Å; L92-Y96 PolarHBondContact O-N 3.46Å; P93-Y96 PolarHBondContact O-N 3.07Å; Y96-R99 PolarHBondContact O-N 3.23Å; Y96-I100 HydrophobicContact CD1-CD1 4.12Å; Y96-I100 HydrophobicContact CE1-CD1 3.53Å; Y96-I100 HydrophobicContact CE2-CD1 4.03Å; Y96-I100 VanDerWaalsContact CZ-CD1 3.48Å; Y96-I100 PolarHBondContact O-N 3.27Å |
| 97 | H | 92.6 | Very high | 92.2 | Very high | 52 Ų | 52 | 63.3 Ų | 63.3 | 24% | 0.241 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -71.2 | -38 | -179.3 | -69.5 | -61.8 | 0 | 0 | 0 | 112.4 | A50 P93 R99 I100 A101 | A50-H97 HydrophobicContact CB-CB 3.74Å; P93-H97 PolarHBondContact O-CD2 2.88Å; P93-H97 PolarHBondContact O-N 3.3Å; H97-R99 VanDerWaalsContact C-N 3.28Å; H97-R99 PolarHBondContact O-N 3.44Å; H97-I100 PolarHBondContact O-N 2.9Å; H97-A101 WeakPolarHBondContact O-CB 3.33Å; H97-A101 PolarHBondContact O-N 3.45Å |
| 98 | L | 92.4 | Very high | 91.6 | Very high | 45 Ų | 45 | 69.2 Ų | 69.2 | 24% | 0.236 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.3 | -37.4 | 176.4 | -173.3 | 62 | 0 | 0 | 0 | 111.7 | F54 G94 F95 A101 Y102 | F54-L98 HydrophobicContact CB-CD2 4.19Å; F54-L98 HydrophobicContact CD1-CD2 3.82Å; F54-L98 HydrophobicContact CD2-CD2 4.41Å; F54-L98 HydrophobicContact CE1-CD2 4.32Å; F54-L98 HydrophobicContact CG-CD2 3.88Å; G94-L98 WeakPolarHBondContact O-CB 3.37Å; G94-L98 PolarHBondContact O-N 3.34Å; F95-L98 PolarHBondContact O-N 3.03Å; L98-A101 PolarHBondContact O-N 3.2Å; L98-Y102 WeakPolarHBondContact O-CB 3.33Å; L98-Y102 PolarHBondContact O-N 3.35Å |
| 99 | R | 93.1 | Very high | 90.7 | Very high | 90 Ų | 90 | 77.4 Ų | 77.4 | 34% | 0.34 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.4 | -47.3 | 175.5 | 179.3 | -95.7 | -176.6 | 179 | -9.9 | 111.6 | F95 Y96 H97 Y102 Y103 Y111 | F95-R99 WeakPolarHBondContact O-CB 3.35Å; F95-R99 PolarHBondContact O-N 3.43Å; Y96-R99 PolarHBondContact O-N 3.23Å; H97-R99 VanDerWaalsContact C-N 3.28Å; H97-R99 PolarHBondContact O-N 3.44Å; R99-Y102 PolarHBondContact O-N 2.8Å; R99-Y103 HydrophobicContact CG-CD2 3.77Å; R99-Y103 HydrophobicContact CG-CE2 3.56Å; R99-Y103 VanDerWaalsContact NE-CD2 3.33Å; R99-Y103 WeakPolarHBondContact O-CD2 3.47Å; R99-Y103 PolarHBondContact O-N 3.32Å; R99-Y111 PolarHBondContact NH1-OH 3.4Å; R99-Y111 PolarHBondContact NH2-OH 3Å |
| 100 | I | 91.3 | Very high | 90 | Very high | 8 Ų | 8 | 75.4 Ų | 75.4 | 4% | 0.041 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.1 | -46.8 | 177 | -67.3 | 169.5 | 0 | 0 | 0 | 110.4 | Y96 H97 Y102 Y103 A104 Y111 D115 I116 | Y96-I100 HydrophobicContact CD1-CD1 4.12Å; Y96-I100 HydrophobicContact CE1-CD1 3.53Å; Y96-I100 HydrophobicContact CE2-CD1 4.03Å; Y96-I100 VanDerWaalsContact CZ-CD1 3.48Å; Y96-I100 PolarHBondContact O-N 3.27Å; H97-I100 PolarHBondContact O-N 2.9Å; I100-Y102 VanDerWaalsContact C-N 3.31Å; I100-Y102 PolarHBondContact O-N 2.99Å; I100-Y103 PolarHBondContact O-N 2.98Å; I100-A104 VanDerWaalsContact O-CB 3.31Å; I100-A104 WeakPolarHBondContact O-CB 3.22Å; I100-A104 PolarHBondContact O-N 3.26Å; I100-Y111 HydrophobicContact CG1-CD1 4.44Å; I100-Y111 HydrophobicContact CG2-CD1 4.37Å; I100-D115 HydrophobicContact CG2-CB 4.02Å; I100-I116 HydrophobicContact CG2-CG1 4.1Å |
| 101 | A | 90.2 | Very high | 89.2 | Confident | 7 Ų | 7 | 76.7 Ų | 76.7 | 6% | 0.058 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -57.8 | -42.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | I47 H97 L98 A104 S105 I116 | I47-A101 HydrophobicContact CD1-CB 4.3Å; I47-A101 HydrophobicContact CG1-CB 3.91Å; H97-A101 WeakPolarHBondContact O-CB 3.33Å; H97-A101 PolarHBondContact O-N 3.45Å; L98-A101 PolarHBondContact O-N 3.2Å; A101-A104 PolarHBondContact O-N 3.2Å; A101-S105 WeakPolarHBondContact O-CB 3.22Å; A101-S105 PolarHBondContact O-N 3.26Å; A101-I116 HydrophobicContact CB-CD1 3.69Å |
| 102 | Y | 90.4 | Very high | 88.4 | Confident | 117 Ų | 117 | 75.9 Ų | 75.9 | 46% | 0.459 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.8 | -48.9 | 176.2 | -179.8 | -99.3 | 0 | 0 | 0 | 112.1 | L98 R99 I100 A104 S105 K106 | L98-Y102 WeakPolarHBondContact O-CB 3.33Å; L98-Y102 PolarHBondContact O-N 3.35Å; R99-Y102 PolarHBondContact O-N 2.8Å; I100-Y102 VanDerWaalsContact C-N 3.31Å; I100-Y102 PolarHBondContact O-N 2.99Å; Y102-A104 VanDerWaalsContact C-N 3.34Å; Y102-A104 PolarHBondContact O-N 3.37Å; Y102-S105 PolarHBondContact O-N 2.81Å; Y102-S105 PolarHBondContact O-OG 3.46Å; Y102-K106 HydrophobicContact CE1-CD 3.95Å; Y102-K106 PolarHBondContact O-N 3.43Å; Y102-K106 WeakPolarHBondContact OH-CE 3.37Å; Y102-K106 PolarHBondContact OH-NZ 2.93Å |
| 103 | Y | 89.1 | Confident | 87.8 | Confident | 73 Ų | 73 | 73.1 Ų | 73.1 | 29% | 0.286 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.2 | -34.8 | 178.9 | -74.9 | -65.2 | 0 | 0 | 0 | 112.9 | R99 I100 K106 G107 Y108 Y111 | R99-Y103 HydrophobicContact CG-CD2 3.77Å; R99-Y103 HydrophobicContact CG-CE2 3.56Å; R99-Y103 VanDerWaalsContact NE-CD2 3.33Å; R99-Y103 WeakPolarHBondContact O-CD2 3.47Å; R99-Y103 PolarHBondContact O-N 3.32Å; I100-Y103 PolarHBondContact O-N 2.98Å; Y103-K106 PolarHBondContact O-N 3.27Å; Y103-G107 PolarHBondContact O-N 3.5Å; Y103-Y108 AromaticContact CD1-CD2 3.6Å; Y103-Y108 HydrophobicContact CD1-CD2 3.6Å; Y103-Y108 AromaticContact CD1-CE2 3.92Å; Y103-Y108 HydrophobicContact CD1-CE2 3.92Å; Y103-Y108 AromaticContact CD1-CG 3.95Å; Y103-Y108 HydrophobicContact CD1-CG 3.95Å; Y103-Y108 HydrophobicContact CE1-CD2 4.38Å; Y103-Y108 HydrophobicContact CE1-CE2 4.29Å; Y103-Y108 PolarHBondContact O-N 3.24Å; Y103-Y108 VanDerWaalsContact O-N 3.12Å; Y103-Y111 HydrophobicContact CD2-CE1 4.23Å; Y103-Y111 HydrophobicContact CG-CD1 4.39Å; Y103-Y111 HydrophobicContact CG-CD2 4.26Å; Y103-Y111 HydrophobicContact CG-CE1 4.4Å; Y103-Y111 HydrophobicContact CG-CE2 4.25Å; Y103-Y111 HydrophobicContact CG-CG 4.35Å |
| 104 | A | 87.6 | Confident | 87.1 | Confident | 13 Ų | 13 | 75.1 Ų | 75.1 | 11% | 0.107 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.3 | -43.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I100 A101 Y102 K106 G107 Y113 | I100-A104 VanDerWaalsContact O-CB 3.31Å; I100-A104 WeakPolarHBondContact O-CB 3.22Å; I100-A104 PolarHBondContact O-N 3.26Å; A101-A104 PolarHBondContact O-N 3.2Å; Y102-A104 VanDerWaalsContact C-N 3.34Å; Y102-A104 PolarHBondContact O-N 3.37Å; A104-K106 VanDerWaalsContact C-N 3.27Å; A104-K106 PolarHBondContact O-N 3.45Å; A104-G107 PolarHBondContact O-N 2.98Å; A104-Y113 HydrophobicContact CB-CD1 4.01Å; A104-Y113 HydrophobicContact CB-CD2 4.32Å; A104-Y113 HydrophobicContact CB-CE1 3.94Å; A104-Y113 HydrophobicContact CB-CE2 4.26Å; A104-Y113 HydrophobicContact CB-CG 4.21Å |
| 105 | S | 85.1 | Confident | 86.4 | Confident | 72 Ų | 72 | 79.2 Ų | 79.2 | 50% | 0.503 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.1 | -32.4 | 177.1 | 76.1 | 0 | 0 | 0 | 0 | 113.8 | A101 Y102 G107 Y113 | A101-S105 WeakPolarHBondContact O-CB 3.22Å; A101-S105 PolarHBondContact O-N 3.26Å; Y102-S105 PolarHBondContact O-N 2.81Å; Y102-S105 PolarHBondContact O-OG 3.46Å; S105-G107 VanDerWaalsContact C-N 3.31Å; S105-Y113 VanDerWaalsContact CA-OH 3.24Å; S105-Y113 WeakPolarHBondContact CA-OH 3.34Å; S105-Y113 VanDerWaalsContact CB-OH 3.28Å; S105-Y113 WeakPolarHBondContact CB-OH 3.32Å; S105-Y113 PolarHBondContact N-OH 3.4Å |
| 106 | K | 86.2 | Confident | 85.6 | Confident | 117 Ų | 117 | 74.8 Ų | 74.8 | 51% | 0.509 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -3.6 | 175.9 | -79.7 | -167.3 | 167.7 | -175.5 | 0 | 113.6 | Y102 Y103 A104 Y108 | Y102-K106 HydrophobicContact CE1-CD 3.95Å; Y102-K106 PolarHBondContact O-N 3.43Å; Y102-K106 WeakPolarHBondContact OH-CE 3.37Å; Y102-K106 PolarHBondContact OH-NZ 2.93Å; Y103-K106 PolarHBondContact O-N 3.27Å; A104-K106 VanDerWaalsContact C-N 3.27Å; A104-K106 PolarHBondContact O-N 3.45Å; K106-Y108 VanDerWaalsContact C-N 3.35Å; K106-Y108 HydrophobicContact CB-CD2 3.59Å; K106-Y108 HydrophobicContact CB-CE2 3.63Å; K106-Y108 HydrophobicContact CD-CE2 3.83Å; K106-Y108 HydrophobicContact CG-CE2 4.39Å |
| 107 | G | 81.8 | Confident | 84.9 | Confident | 60 Ų | 60 | 71.2 Ų | 71.2 | 62% | 0.619 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.5 | 27 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y103 A104 S105 R109 | Y103-G107 PolarHBondContact O-N 3.5Å; A104-G107 PolarHBondContact O-N 2.98Å; S105-G107 VanDerWaalsContact C-N 3.31Å; G107-R109 PolarHBondContact O-N 3.22Å |
| 108 | Y | 83.1 | Confident | 84.1 | Confident | 124 Ų | 124 | 73 Ų | 73 | 49% | 0.486 | 38% | 0.376 | S | S | . | . | trans | -65 | 134.4 | 174.4 | -80.9 | -91 | 0 | 0 | 0 | 110.6 | Y103 K106 G110 Y111 | Y103-Y108 AromaticContact CD1-CD2 3.6Å; Y103-Y108 HydrophobicContact CD1-CD2 3.6Å; Y103-Y108 AromaticContact CD1-CE2 3.92Å; Y103-Y108 HydrophobicContact CD1-CE2 3.92Å; Y103-Y108 AromaticContact CD1-CG 3.95Å; Y103-Y108 HydrophobicContact CD1-CG 3.95Å; Y103-Y108 HydrophobicContact CE1-CD2 4.38Å; Y103-Y108 HydrophobicContact CE1-CE2 4.29Å; Y103-Y108 PolarHBondContact O-N 3.24Å; Y103-Y108 VanDerWaalsContact O-N 3.12Å; K106-Y108 VanDerWaalsContact C-N 3.35Å; K106-Y108 HydrophobicContact CB-CD2 3.59Å; K106-Y108 HydrophobicContact CB-CE2 3.63Å; K106-Y108 HydrophobicContact CD-CE2 3.83Å; K106-Y108 HydrophobicContact CG-CE2 4.39Å; Y108-G110 PolarHBondContact O-N 3.27Å; Y108-Y111 PolarHBondContact O-N 2.97Å | ||
| 109 | R | 79.2 | Confident | 83.2 | Confident | 246 Ų | 246 | 75.7 Ų | 75.7 | 93% | 0.928 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 128.6 | 177.4 | -64.7 | 177 | 67.2 | -179.1 | 0.8 | 109.8 | G107 | G107-R109 PolarHBondContact O-N 3.22Š|
| 110 | G | 80.6 | Confident | 81.8 | Confident | 75 Ų | 75 | 74.2 Ų | 74.2 | 77% | 0.773 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.8 | 6.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y108 | Y108-G110 PolarHBondContact O-N 3.27Š|
| 111 | Y | 80.8 | Confident | 80.3 | Confident | 71 Ų | 71 | 85 Ų | 85 | 28% | 0.278 | 44% | 0.443 | S | S | . | . | trans | -117.3 | 121.1 | 170.3 | -64.8 | -84.3 | 0 | 0 | 0 | 109.4 | R99 I100 Y103 Y108 | R99-Y111 PolarHBondContact NH1-OH 3.4Å; R99-Y111 PolarHBondContact NH2-OH 3Å; I100-Y111 HydrophobicContact CG1-CD1 4.44Å; I100-Y111 HydrophobicContact CG2-CD1 4.37Å; Y103-Y111 HydrophobicContact CD2-CE1 4.23Å; Y103-Y111 HydrophobicContact CG-CD1 4.39Å; Y103-Y111 HydrophobicContact CG-CD2 4.26Å; Y103-Y111 HydrophobicContact CG-CE1 4.4Å; Y103-Y111 HydrophobicContact CG-CE2 4.25Å; Y103-Y111 HydrophobicContact CG-CG 4.35Å; Y108-Y111 PolarHBondContact O-N 2.97Å | ||
| 112 | S | 80.8 | Confident | 79.8 | Confident | 33 Ų | 33 | 88.9 Ų | 88.9 | 23% | 0.231 | 46% | 0.462 | C | S | . | . | trans | -119.2 | 153 | 172.1 | -166.9 | 0 | 0 | 0 | 0 | 110.3 | D114 D115 | S112-D114 PolarHBondContact O-N 3.46Å; S112-D114 PolarHBondContact OG-N 2.97Å; S112-D114 PolarHBondContact OG-OD2 3.12Å; S112-D115 PolarHBondContact N-OD2 3.3Å; S112-D115 WeakPolarHBondContact O-CB 3.21Å; S112-D115 PolarHBondContact O-N 3.42Å | ||
| 113 | Y | 82.1 | Confident | 79.2 | Confident | 43 Ų | 43 | 87.4 Ų | 87.4 | 17% | 0.169 | 46% | 0.462 | C | S | . | . | G | 310 helix | trans | -65.2 | -19.5 | 165.1 | -70.2 | -65 | 0 | 0 | 0 | 111.9 | V42 P43 I47 A104 S105 D115 I116 | V42-Y113 HydrophobicContact CG1-CD1 4.4Å; V42-Y113 HydrophobicContact CG1-CE1 4.04Å; V42-Y113 HydrophobicContact CG2-CD2 4.22Å; V42-Y113 HydrophobicContact CG2-CE2 3.87Å; P43-Y113 HydrophobicContact CG-CD1 4.41Å; I47-Y113 HydrophobicContact CD1-CD1 4.45Å; I47-Y113 HydrophobicContact CD1-CE1 4.09Å; A104-Y113 HydrophobicContact CB-CD1 4.01Å; A104-Y113 HydrophobicContact CB-CD2 4.32Å; A104-Y113 HydrophobicContact CB-CE1 3.94Å; A104-Y113 HydrophobicContact CB-CE2 4.26Å; A104-Y113 HydrophobicContact CB-CG 4.21Å; S105-Y113 VanDerWaalsContact CA-OH 3.24Å; S105-Y113 WeakPolarHBondContact CA-OH 3.34Å; S105-Y113 VanDerWaalsContact CB-OH 3.28Å; S105-Y113 WeakPolarHBondContact CB-OH 3.32Å; S105-Y113 PolarHBondContact N-OH 3.4Å; Y113-D115 PolarHBondContact O-N 2.94Å; Y113-I116 HydrophobicContact CD1-CD1 3.95Å; Y113-I116 WeakPolarHBondContact O-CB 3.27Å; Y113-I116 PolarHBondContact O-N 3.2Å; Y113-I116 VanDerWaalsContact O-N 3.13Å |
| 114 | D | 79.1 | Confident | 78.7 | Confident | 93 Ų | 93 | 88.2 Ų | 88.2 | 50% | 0.497 | 47% | 0.472 | S | S | . | . | G | 310 helix | trans | -61.2 | -20.9 | 173.5 | -54.3 | -37.2 | 0 | 0 | 0 | 112.6 | K37 S112 I116 | K37-D114 IonicContact NZ-OD2 2.72Å; K37-D114 PolarHBondContact NZ-OD2 3.25Å; S112-D114 PolarHBondContact O-N 3.46Å; S112-D114 PolarHBondContact OG-N 2.97Å; S112-D114 PolarHBondContact OG-OD2 3.12Å; D114-I116 VanDerWaalsContact C-N 3.25Å; D114-I116 PolarHBondContact O-N 3.04Å |
| 115 | D | 79.5 | Confident | 78.2 | Confident | 88 Ų | 88 | 92.6 Ų | 92.6 | 47% | 0.471 | 49% | 0.493 | S | S | . | . | G | 310 helix | trans | -83 | -2.8 | 179.9 | -56.6 | -47.5 | 0 | 0 | 0 | 112.7 | I100 S112 Y113 | I100-D115 HydrophobicContact CG2-CB 4.02Å; S112-D115 PolarHBondContact N-OD2 3.3Å; S112-D115 WeakPolarHBondContact O-CB 3.21Å; S112-D115 PolarHBondContact O-N 3.42Å; Y113-D115 PolarHBondContact O-N 2.94Å |
| 116 | I | 80.1 | Confident | 77.7 | Confident | 11 Ų | 11 | 93.9 Ų | 93.9 | 6% | 0.056 | 49% | 0.493 | C | S | . | . | S | Bend | trans | -101.4 | 130.5 | 178.9 | -59.2 | 171 | 0 | 0 | 0 | 108 | P43 A46 I47 I100 A101 Y113 D114 D118 | P43-I116 HydrophobicContact CG-CB 4.02Å; P43-I116 HydrophobicContact CG-CD1 4.18Å; P43-I116 HydrophobicContact CG-CG2 4.03Å; A46-I116 HydrophobicContact CB-CG2 3.38Å; I47-I116 HydrophobicContact CG1-CD1 4.4Å; I100-I116 HydrophobicContact CG2-CG1 4.1Å; A101-I116 HydrophobicContact CB-CD1 3.69Å; Y113-I116 HydrophobicContact CD1-CD1 3.95Å; Y113-I116 WeakPolarHBondContact O-CB 3.27Å; Y113-I116 PolarHBondContact O-N 3.2Å; Y113-I116 VanDerWaalsContact O-N 3.13Å; D114-I116 VanDerWaalsContact C-N 3.25Å; D114-I116 PolarHBondContact O-N 3.04Å; I116-D118 PolarHBondContact O-N 3.09Å |
| 117 | P | 78.1 | Confident | 77.2 | Confident | 57 Ų | 57 | 92.4 Ų | 92.4 | 37% | 0.37 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 130.1 | 175.7 | -23 | 32.4 | 0 | 0 | 0 | 111.2 | A46 F119 | A46-P117 WeakPolarHBondContact CB-O 3.36Å; P117-F119 HydrophobicContact CB-CE2 3.85Å; P117-F119 HydrophobicContact CB-CZ 3.85Å; P117-F119 HydrophobicContact CG-CZ 4.5Å; P117-F119 WeakPolarHBondContact O-CD2 3.26Å |
| 118 | D | 76.6 | Confident | 76.8 | Confident | 90 Ų | 90 | 94.7 Ų | 94.7 | 48% | 0.481 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -79.9 | 137.5 | 170 | -157.9 | -9 | 0 | 0 | 0 | 109.1 | I116 D120 | I116-D118 PolarHBondContact O-N 3.09Å; D118-D120 WeakPolarHBondContact OD1-CB 3.48Å; D118-D120 PolarHBondContact OD1-N 3.15Å |
| 119 | F | 71.6 | Confident | 76.4 | Confident | 102 Ų | 102 | 92.5 Ų | 92.5 | 45% | 0.447 | 48% | 0.482 | S | S | . | . | trans | -122.7 | 30.1 | -180 | -63.2 | -80.2 | 0 | 0 | 0 | 110.3 | A46 L49 P117 | A46-F119 HydrophobicContact CB-CD2 3.67Å; A46-F119 HydrophobicContact CB-CE2 3.95Å; L49-F119 HydrophobicContact CD1-CD2 4.44Å; L49-F119 HydrophobicContact CD1-CE1 4.47Å; L49-F119 HydrophobicContact CD1-CE2 4.13Å; L49-F119 HydrophobicContact CD1-CZ 4.14Å; P117-F119 HydrophobicContact CB-CE2 3.85Å; P117-F119 HydrophobicContact CB-CZ 3.85Å; P117-F119 HydrophobicContact CG-CZ 4.5Å; P117-F119 WeakPolarHBondContact O-CD2 3.26Å | ||
| 120 | D | 64.3 | Low | 76.1 | Confident | 59 Ų | 59 | 79.7 Ų | 79.7 | 32% | 0.316 | 45% | 0.445 | S | S | . | . | trans | -91.9 | 10.7 | -176.3 | -85.7 | -16.5 | 0 | 0 | 0 | 115.2 | K41 K45 D118 | K41-D120 IonicContact NZ-OD2 2.65Å; K41-D120 PolarHBondContact NZ-OD2 3.2Å; K45-D120 WeakPolarHBondContact CD-OD1 3.32Å; K45-D120 WeakPolarHBondContact CE-OD1 3.37Å; K45-D120 IonicContact NZ-OD1 2.66Å; K45-D120 PolarHBondContact NZ-OD1 3.15Å; D118-D120 WeakPolarHBondContact OD1-CB 3.48Å; D118-D120 PolarHBondContact OD1-N 3.15Å | ||
| 121 | D | 60.1 | Low | 75.7 | Confident | 234 Ų | 234 | 80.1 Ų | 80.1 | 100% | 1.251 | 42% | 0.415 | S | S | * | . | trans | -71.7 | 0 | 173.8 | -69.9 | -25.8 | 0 | 0 | 0 | 114 |
Retrieved 121 of 121 residues in 164.3 ms
(Link to these results)