| 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 | 50.4 | Low | 54.3 | Low | 236 Ų | 236 | 140.1 Ų | 140.1 | 100% | 1.163 | 86% | 0.862 | S | S | * | * | 0 | 66.3 | 0 | -61.7 | 157.4 | 91.6 | 0 | 0 | 105.6 | |||||
| 2 | V | 56 | Low | 53.6 | Low | 155 Ų | 155 | 142.5 Ų | 142.5 | 94% | 0.939 | 87% | 0.866 | S | S | * | * | 56.9 | 102.1 | 60.1 | -171.4 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 3 | G | 59.5 | Low | 53.1 | Low | 76 Ų | 76 | 137.6 Ų | 137.6 | 78% | 0.784 | 86% | 0.862 | S | S | * | * | trans | 163.3 | 42.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 4 | D | 56.3 | Low | 52.9 | Low | 147 Ų | 147 | 134.7 Ų | 134.7 | 79% | 0.786 | 86% | 0.857 | S | S | * | * | trans | -86.1 | 153.7 | 164.3 | -71.4 | -38.9 | 0 | 0 | 0 | 110 | ||||
| 5 | D | 56.4 | Low | 52.4 | Low | 154 Ų | 154 | 135.2 Ų | 135.2 | 82% | 0.824 | 85% | 0.851 | S | S | * | * | trans | 70.8 | 97.5 | 159.2 | -51.9 | -37.8 | 0 | 0 | 0 | 119.4 | ||||
| 6 | I | 59.1 | Low | 51.8 | Low | 180 Ų | 180 | 137.5 Ų | 137.5 | 92% | 0.923 | 85% | 0.848 | S | S | * | * | trans | -124 | 115.2 | 143 | -58.6 | -176.8 | 0 | 0 | 0 | 108.3 | ||||
| 7 | A | 57.7 | Low | 51.4 | Low | 77 Ų | 77 | 135.8 Ų | 135.8 | 64% | 0.636 | 84% | 0.842 | S | S | * | * | trans | -81.9 | 158.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 8 | S | 49.8 | Very low | 51.3 | Low | 120 Ų | 120 | 141.1 Ų | 141.1 | 84% | 0.839 | 84% | 0.844 | S | S | * | * | trans | 52.6 | 112.1 | 136.6 | 64.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 9 | G | 48.1 | Very low | 51 | Low | 78 Ų | 78 | 141.3 Ų | 141.3 | 80% | 0.804 | 84% | 0.841 | S | S | * | * | trans | -159.3 | 45 | 165.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A11 | G9-A11 PolarHBondContact O-N 2.95Š| ||
| 10 | F | 51.3 | Low | 50.6 | Low | 217 Ų | 217 | 142 Ų | 142 | 95% | 0.952 | 84% | 0.84 | S | S | * | * | trans | -81.2 | 102.6 | 163.6 | -85.5 | -80 | 0 | 0 | 0 | 108.8 | N12 | F10-N12 PolarHBondContact O-N 3.38Š| ||
| 11 | A | 52.7 | Low | 50.3 | Low | 101 Ų | 101 | 139.2 Ų | 139.2 | 84% | 0.835 | 83% | 0.833 | S | S | * | * | trans | -81.5 | 101.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | G9 | G9-A11 PolarHBondContact O-N 2.95Š| ||
| 12 | N | 46.6 | Very low | 49.9 | Very low | 169 Ų | 169 | 136.7 Ų | 136.7 | 90% | 0.904 | 82% | 0.819 | S | S | * | * | trans | -104.9 | 119.3 | 160 | -96.6 | -12 | 0 | 0 | 0 | 107.5 | F10 | F10-N12 PolarHBondContact O-N 3.38Š| ||
| 13 | G | 46.7 | Very low | 49.3 | Very low | 79 Ų | 79 | 135.8 Ų | 135.8 | 81% | 0.814 | 81% | 0.814 | S | S | * | * | trans | 175 | 102.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 14 | A | 50.4 | Low | 48.3 | Very low | 97 Ų | 97 | 137.7 Ų | 137.7 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | trans | 161 | 92.4 | 148.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 15 | N | 45.4 | Very low | 47.7 | Very low | 142 Ų | 142 | 140.7 Ų | 140.7 | 76% | 0.759 | 82% | 0.821 | S | S | * | * | 61.2 | 100.9 | 82.1 | -164.8 | 23.2 | 0 | 0 | 0 | 113.1 | |||||
| 16 | E | 43.2 | Very low | 47.3 | Very low | 172 Ų | 172 | 136.2 Ų | 136.2 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -160.1 | 111.9 | 134.1 | -119.4 | 173.9 | 138 | 0 | 0 | 110.2 | ||||
| 17 | S | 43.8 | Very low | 47 | Very low | 108 Ų | 108 | 134.1 Ų | 134.1 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | -76.9 | 126.1 | 169.6 | -63.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 18 | R | 49.4 | Very low | 46.7 | Very low | 231 Ų | 231 | 136.4 Ų | 136.4 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | trans | -137.5 | 123.5 | 160.2 | -100.8 | 179.8 | 167.7 | 148.3 | -1.9 | 109.9 | ||||
| 19 | N | 46 | Very low | 46.8 | Very low | 146 Ų | 146 | 138.7 Ų | 138.7 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | trans | -67.2 | 156.9 | 175.4 | -56.9 | -54.2 | 0 | 0 | 0 | 111.2 | ||||
| 20 | D | 44 | Very low | 47 | Very low | 154 Ų | 154 | 139.4 Ų | 139.4 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | 160.4 | 99.6 | 137.8 | -77.1 | -25.9 | 0 | 0 | 0 | 107 | ||||
| 21 | A | 44.2 | Very low | 47.3 | Very low | 84 Ų | 84 | 135 Ų | 135 | 69% | 0.694 | 77% | 0.768 | S | S | * | * | 82.5 | 112.1 | 90.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 22 | E | 40.9 | Very low | 47.1 | Very low | 184 Ų | 184 | 139 Ų | 139 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | trans | 60.2 | 106.7 | 149.1 | -60.3 | -173.5 | 138.8 | 0 | 0 | 119.8 | ||||
| 23 | T | 43.4 | Very low | 47.4 | Very low | 136 Ų | 136 | 137.4 Ų | 137.4 | 83% | 0.834 | 75% | 0.752 | S | S | * | * | -163.6 | 90.9 | 125.8 | 9.2 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 24 | S | 39.2 | Very low | 47.7 | Very low | 115 Ų | 115 | 140 Ų | 140 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | trans | -74.7 | 140.2 | 157.1 | -69.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 25 | K | 42.6 | Very low | 48.1 | Very low | 211 Ų | 211 | 146.1 Ų | 146.1 | 92% | 0.917 | 75% | 0.746 | S | S | * | * | S | Bend | trans | 95.4 | 39.1 | 165.4 | -60.4 | 177.2 | 169.2 | 169.2 | 0 | 120.1 | ||
| 26 | S | 49 | Very low | 49.6 | Very low | 59 Ų | 59 | 142.8 Ų | 142.8 | 41% | 0.413 | 73% | 0.734 | S | S | . | * | trans | -125.3 | -4.3 | 168.4 | 51.8 | 0 | 0 | 0 | 0 | 117.3 | D28 K29 | S26-D28 VanDerWaalsContact C-N 3.35Å; S26-D28 PolarHBondContact O-N 3.28Å; S26-K29 PolarHBondContact O-N 3.45Å | ||
| 27 | D | 52.4 | Low | 51.5 | Low | 137 Ų | 137 | 140.5 Ų | 140.5 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -69.8 | -25.2 | -170 | -71.3 | -29.2 | 0 | 0 | 0 | 114.9 | ||
| 28 | D | 52.4 | Low | 53.8 | Low | 125 Ų | 125 | 139.6 Ų | 139.6 | 67% | 0.668 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -88.8 | -3.5 | -178.9 | -87.6 | -35.7 | 0 | 0 | 0 | 115.5 | S26 R32 | S26-D28 VanDerWaalsContact C-N 3.35Å; S26-D28 PolarHBondContact O-N 3.28Å; D28-R32 PolarHBondContact O-NH2 3.32Å |
| 29 | K | 50.2 | Low | 55.7 | Low | 168 Ų | 168 | 129.4 Ų | 129.4 | 73% | 0.73 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -101.9 | -26.8 | 176.3 | -76.1 | -169.8 | 177.8 | -163.8 | 0 | 113.3 | S26 V31 R32 | S26-K29 PolarHBondContact O-N 3.45Å; K29-V31 VanDerWaalsContact C-N 3.28Å; K29-V31 PolarHBondContact O-N 3.45Å; K29-R32 PolarHBondContact O-N 2.98Å |
| 30 | V | 54 | Low | 58 | Low | 93 Ų | 93 | 126 Ų | 126 | 56% | 0.564 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -66.8 | -32.6 | 176.7 | 179.1 | 0 | 0 | 0 | 0 | 111.2 | R32 | V30-R32 VanDerWaalsContact C-N 3.3Å; V30-R32 PolarHBondContact O-N 3.08Å |
| 31 | V | 55.7 | Low | 60.4 | Low | 124 Ų | 124 | 124 Ų | 124 | 75% | 0.752 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -15.9 | -177.6 | -178.3 | 0 | 0 | 0 | 0 | 113.5 | K29 | K29-V31 VanDerWaalsContact C-N 3.28Å; K29-V31 PolarHBondContact O-N 3.45Å |
| 32 | R | 48.5 | Very low | 62.6 | Low | 186 Ų | 186 | 126.4 Ų | 126.4 | 70% | 0.702 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.2 | -5.2 | -170.1 | -94.5 | -174.7 | -71.4 | -120.2 | -8.1 | 117.4 | D28 K29 V30 | D28-R32 PolarHBondContact O-NH2 3.32Å; K29-R32 PolarHBondContact O-N 2.98Å; V30-R32 VanDerWaalsContact C-N 3.3Å; V30-R32 PolarHBondContact O-N 3.08Å |
| 33 | L | 54.7 | Low | 65.2 | Low | 135 Ų | 135 | 124.3 Ų | 124.3 | 71% | 0.707 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -126.8 | 5.9 | -166 | -86.7 | 105.1 | 0 | 0 | 0 | 117.9 | ||
| 34 | Q | 53.1 | Low | 67.7 | Low | 132 Ų | 132 | 123.1 Ų | 123.1 | 62% | 0.617 | 63% | 0.633 | S | S | * | * | trans | -116 | 26 | -166.2 | -62.4 | -132.3 | 2.8 | 0 | 0 | 117.5 | S36 | Q34-S36 PolarHBondContact O-N 2.97Š| ||
| 35 | Y | 57.2 | Low | 70.3 | Confident | 226 Ų | 226 | 123.6 Ų | 123.6 | 89% | 0.886 | 62% | 0.623 | S | S | * | * | trans | -75.1 | 33.7 | 159.2 | -60 | -68.5 | 0 | 0 | 0 | 112.6 | V40 | Y35-V40 HydrophobicContact CD1-CG2 4.42Š| ||
| 36 | S | 78.3 | Confident | 72.8 | Confident | 72 Ų | 72 | 118.8 Ų | 118.8 | 50% | 0.503 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -76.1 | 143.8 | 167.9 | -172.3 | 0 | 0 | 0 | 0 | 108.3 | Q34 P38 G39 V40 | Q34-S36 PolarHBondContact O-N 2.97Å; S36-P38 VanDerWaalsContact C-CD 3.43Å; S36-P38 VanDerWaalsContact C-N 3.27Å; S36-P38 VanDerWaalsContact O-N 3.14Å; S36-P38 VanDerWaalsContact OG-CD 3.31Å; S36-P38 WeakPolarHBondContact OG-CD 3.31Å; S36-G39 WeakPolarHBondContact O-CA 3.45Å; S36-G39 PolarHBondContact O-N 3.5Å; S36-V40 PolarHBondContact O-N 3.26Å; S36-V40 VanDerWaalsContact O-N 3.08Å |
| 37 | V | 83 | Confident | 75.1 | Confident | 124 Ų | 124 | 118.8 Ų | 118.8 | 75% | 0.752 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -47.3 | -44.6 | -177.9 | 174.8 | 0 | 0 | 0 | 0 | 112.7 | G39 L41 | V37-G39 VanDerWaalsContact C-N 3.35Å; V37-G39 PolarHBondContact O-N 2.8Å; V37-L41 WeakPolarHBondContact O-CB 3.4Å; V37-L41 PolarHBondContact O-N 3.37Å; V37-L41 VanDerWaalsContact O-N 3.08Å |
| 38 | P | 90.9 | Very high | 77.2 | Confident | 89 Ų | 89 | 119.9 Ų | 119.9 | 58% | 0.578 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.7 | -32.8 | 175.2 | -22.6 | 36.2 | 0 | 0 | 0 | 114.4 | S36 H42 | S36-P38 VanDerWaalsContact C-CD 3.43Å; S36-P38 VanDerWaalsContact C-N 3.27Å; S36-P38 VanDerWaalsContact O-N 3.14Å; S36-P38 VanDerWaalsContact OG-CD 3.31Å; S36-P38 WeakPolarHBondContact OG-CD 3.31Å; P38-H42 WeakPolarHBondContact O-CB 3.46Å; P38-H42 PolarHBondContact O-N 3.48Å |
| 39 | G | 89.8 | Confident | 79.3 | Confident | 17 Ų | 17 | 118 Ų | 118 | 18% | 0.175 | 58% | 0.583 | C | S | . | * | H | α-helix | trans | -70.7 | -42.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S36 V37 L41 H42 Y43 | S36-G39 WeakPolarHBondContact O-CA 3.45Å; S36-G39 PolarHBondContact O-N 3.5Å; V37-G39 VanDerWaalsContact C-N 3.35Å; V37-G39 PolarHBondContact O-N 2.8Å; G39-L41 VanDerWaalsContact C-N 3.32Å; G39-L41 PolarHBondContact O-N 3.43Å; G39-H42 PolarHBondContact O-N 3.08Å; G39-Y43 PolarHBondContact O-N 2.88Å |
| 40 | V | 94.3 | Very high | 81.6 | Confident | 75 Ų | 75 | 114.2 Ų | 114.2 | 46% | 0.455 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.1 | -40 | 173.7 | 179.4 | 0 | 0 | 0 | 0 | 110.8 | Y35 S36 Y43 L44 | Y35-V40 HydrophobicContact CD1-CG2 4.42Å; S36-V40 PolarHBondContact O-N 3.26Å; S36-V40 VanDerWaalsContact O-N 3.08Å; V40-Y43 PolarHBondContact O-N 2.94Å; V40-L44 PolarHBondContact O-N 2.84Å |
| 41 | L | 94.2 | Very high | 83.7 | Confident | 112 Ų | 112 | 116.4 Ų | 116.4 | 59% | 0.586 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.8 | -43.8 | 176.6 | -176.1 | 61.4 | 0 | 0 | 0 | 111.9 | V37 G39 Y43 L44 Q45 | V37-L41 WeakPolarHBondContact O-CB 3.4Å; V37-L41 PolarHBondContact O-N 3.37Å; V37-L41 VanDerWaalsContact O-N 3.08Å; G39-L41 VanDerWaalsContact C-N 3.32Å; G39-L41 PolarHBondContact O-N 3.43Å; L41-Y43 VanDerWaalsContact C-N 3.34Å; L41-Y43 PolarHBondContact O-N 2.93Å; L41-L44 PolarHBondContact O-N 3.34Å; L41-Q45 WeakPolarHBondContact O-CB 3.48Å; L41-Q45 PolarHBondContact O-N 3.42Å |
| 42 | H | 91.5 | Very high | 85.6 | Confident | 134 Ų | 134 | 113.6 Ų | 113.6 | 62% | 0.62 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60.5 | -42.8 | 174.9 | -177.9 | -92.3 | 0 | 0 | 0 | 111.8 | P38 G39 Q45 H46 | P38-H42 WeakPolarHBondContact O-CB 3.46Å; P38-H42 PolarHBondContact O-N 3.48Å; G39-H42 PolarHBondContact O-N 3.08Å; H42-Q45 PolarHBondContact O-N 3.38Å; H42-H46 WeakPolarHBondContact O-CB 3.15Å; H42-H46 PolarHBondContact O-N 3.4Å |
| 43 | Y | 93.7 | Very high | 87.9 | Confident | 141 Ų | 141 | 111.3 Ų | 111.3 | 55% | 0.553 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.4 | -47.4 | 173.9 | 175.4 | -96.3 | 0 | 0 | 0 | 112.1 | G39 V40 L41 Q45 H46 E47 | G39-Y43 PolarHBondContact O-N 2.88Å; V40-Y43 PolarHBondContact O-N 2.94Å; L41-Y43 VanDerWaalsContact C-N 3.34Å; L41-Y43 PolarHBondContact O-N 2.93Å; Y43-Q45 VanDerWaalsContact C-N 3.32Å; Y43-Q45 PolarHBondContact O-N 3.28Å; Y43-H46 PolarHBondContact O-N 2.93Å; Y43-E47 HydrophobicContact CD1-CG 4.19Å; Y43-E47 HydrophobicContact CD2-CG 4.34Å; Y43-E47 HydrophobicContact CE1-CG 3.67Å; Y43-E47 HydrophobicContact CE2-CG 3.85Å; Y43-E47 HydrophobicContact CG-CG 4.5Å; Y43-E47 VanDerWaalsContact CZ-CG 3.48Å; Y43-E47 WeakPolarHBondContact O-CG 3.4Å; Y43-E47 PolarHBondContact O-N 2.92Å |
| 44 | L | 96.1 | Very high | 90 | Very high | 111 Ų | 111 | 110.1 Ų | 110.1 | 58% | 0.581 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.8 | -38.5 | 179.1 | -175.2 | 61.2 | 0 | 0 | 0 | 111.9 | V40 L41 E47 W48 | V40-L44 PolarHBondContact O-N 2.84Å; L41-L44 PolarHBondContact O-N 3.34Å; L44-E47 PolarHBondContact O-N 3.3Å; L44-W48 VanDerWaalsContact O-CB 3.3Å; L44-W48 WeakPolarHBondContact O-CB 3.38Å; L44-W48 PolarHBondContact O-N 2.99Å |
| 45 | Q | 95 | Very high | 92.1 | Very high | 125 Ų | 125 | 109.5 Ų | 109.5 | 58% | 0.584 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.6 | -45.8 | 174.4 | -175.7 | 178.9 | -5.4 | 0 | 0 | 111.7 | L41 H42 Y43 W48 V49 | L41-Q45 WeakPolarHBondContact O-CB 3.48Å; L41-Q45 PolarHBondContact O-N 3.42Å; H42-Q45 PolarHBondContact O-N 3.38Å; Y43-Q45 VanDerWaalsContact C-N 3.32Å; Y43-Q45 PolarHBondContact O-N 3.28Å; Q45-W48 PolarHBondContact O-N 3.5Å; Q45-V49 WeakPolarHBondContact O-CG2 3.39Å; Q45-V49 PolarHBondContact O-N 3.5Å |
| 46 | H | 95.4 | Very high | 94.1 | Very high | 109 Ų | 109 | 101.9 Ų | 101.9 | 51% | 0.505 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.5 | -49.9 | 174.8 | 171.6 | -85.4 | 0 | 0 | 0 | 111.5 | H42 Y43 W48 V49 K50 | H42-H46 WeakPolarHBondContact O-CB 3.15Å; H42-H46 PolarHBondContact O-N 3.4Å; Y43-H46 PolarHBondContact O-N 2.93Å; H46-W48 VanDerWaalsContact C-N 3.28Å; H46-W48 PolarHBondContact O-N 2.93Å; H46-V49 PolarHBondContact O-N 3.38Å; H46-K50 WeakPolarHBondContact O-CB 3.46Å; H46-K50 PolarHBondContact O-N 2.89Å |
| 47 | E | 96.9 | Very high | 95 | Very high | 60 Ų | 60 | 103.2 Ų | 103.2 | 28% | 0.28 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.1 | -34.9 | 178.7 | -73.2 | -60.6 | 99.1 | 0 | 0 | 112.1 | Y43 L44 Y51 | Y43-E47 HydrophobicContact CD1-CG 4.19Å; Y43-E47 HydrophobicContact CD2-CG 4.34Å; Y43-E47 HydrophobicContact CE1-CG 3.67Å; Y43-E47 HydrophobicContact CE2-CG 3.85Å; Y43-E47 HydrophobicContact CG-CG 4.5Å; Y43-E47 VanDerWaalsContact CZ-CG 3.48Å; Y43-E47 WeakPolarHBondContact O-CG 3.4Å; Y43-E47 PolarHBondContact O-N 2.92Å; L44-E47 PolarHBondContact O-N 3.3Å; E47-Y51 WeakPolarHBondContact O-CB 3.19Å; E47-Y51 PolarHBondContact O-N 2.96Å |
| 48 | W | 96.6 | Very high | 95.7 | Very high | 160 Ų | 160 | 104.7 Ų | 104.7 | 61% | 0.606 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -68.1 | -44.2 | 176 | -166.4 | 76.7 | 0 | 0 | 0 | 112.2 | L44 Q45 H46 K50 Y51 E52 | L44-W48 VanDerWaalsContact O-CB 3.3Å; L44-W48 WeakPolarHBondContact O-CB 3.38Å; L44-W48 PolarHBondContact O-N 2.99Å; Q45-W48 PolarHBondContact O-N 3.5Å; H46-W48 VanDerWaalsContact C-N 3.28Å; H46-W48 PolarHBondContact O-N 2.93Å; W48-K50 VanDerWaalsContact C-N 3.34Å; W48-K50 PolarHBondContact O-N 2.94Å; W48-Y51 PolarHBondContact O-N 2.9Å; W48-E52 WeakPolarHBondContact O-CB 3.3Å; W48-E52 PolarHBondContact O-N 2.85Å |
| 49 | V | 97.2 | Very high | 96.1 | Very high | 84 Ų | 84 | 104 Ų | 104 | 51% | 0.509 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 175.4 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | Q45 H46 E52 Q53 | Q45-V49 WeakPolarHBondContact O-CG2 3.39Å; Q45-V49 PolarHBondContact O-N 3.5Å; H46-V49 PolarHBondContact O-N 3.38Å; V49-E52 PolarHBondContact O-N 3.32Å; V49-Q53 PolarHBondContact O-N 3.27Å |
| 50 | K | 97.1 | Very high | 96.5 | Very high | 90 Ų | 90 | 106.7 Ų | 106.7 | 39% | 0.391 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.5 | -47 | 175.7 | -179.9 | -174.3 | 168.2 | -164.1 | 0 | 111.7 | H46 W48 E52 Q53 E54 | H46-K50 WeakPolarHBondContact O-CB 3.46Å; H46-K50 PolarHBondContact O-N 2.89Å; W48-K50 VanDerWaalsContact C-N 3.34Å; W48-K50 PolarHBondContact O-N 2.94Å; K50-E52 VanDerWaalsContact C-N 3.34Å; K50-E52 PolarHBondContact O-N 3.3Å; K50-Q53 WeakPolarHBondContact O-CB 3.46Å; K50-Q53 PolarHBondContact O-N 3.03Å; K50-E54 WeakPolarHBondContact CE-OE1 3.4Å; K50-E54 WeakPolarHBondContact O-CG 3.49Å; K50-E54 PolarHBondContact O-N 3.39Å |
| 51 | Y | 97.6 | Very high | 96.7 | Very high | 138 Ų | 138 | 107.4 Ų | 107.4 | 54% | 0.541 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.1 | -42 | 177.3 | 173.6 | -97 | 0 | 0 | 0 | 112 | E47 W48 Q53 E54 R55 | E47-Y51 WeakPolarHBondContact O-CB 3.19Å; E47-Y51 PolarHBondContact O-N 2.96Å; W48-Y51 PolarHBondContact O-N 2.9Å; Y51-Q53 VanDerWaalsContact C-N 3.33Å; Y51-Q53 PolarHBondContact O-N 3.48Å; Y51-E54 PolarHBondContact O-N 2.81Å; Y51-R55 WeakPolarHBondContact O-CB 3.38Å; Y51-R55 PolarHBondContact O-N 3.45Å |
| 52 | E | 96.7 | Very high | 96.9 | Very high | 66 Ų | 66 | 107 Ų | 107 | 31% | 0.308 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.8 | -39 | 177.9 | -166.2 | 62.7 | -158.9 | 0 | 0 | 111.4 | W48 V49 K50 R55 T56 | W48-E52 WeakPolarHBondContact O-CB 3.3Å; W48-E52 PolarHBondContact O-N 2.85Å; V49-E52 PolarHBondContact O-N 3.32Å; K50-E52 VanDerWaalsContact C-N 3.34Å; K50-E52 PolarHBondContact O-N 3.3Å; E52-R55 PolarHBondContact O-N 3.28Å; E52-T56 WeakPolarHBondContact O-CG2 3.39Å; E52-T56 PolarHBondContact O-N 3.38Å; E52-T56 PolarHBondContact O-OG1 3.44Å |
| 53 | Q | 97.3 | Very high | 97.2 | Very high | 137 Ų | 137 | 103.3 Ų | 103.3 | 64% | 0.64 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.6 | -47.4 | 172.4 | -175.8 | -178.1 | -7.4 | 0 | 0 | 112 | V49 K50 Y51 R55 T56 Q57 | V49-Q53 PolarHBondContact O-N 3.27Å; K50-Q53 WeakPolarHBondContact O-CB 3.46Å; K50-Q53 PolarHBondContact O-N 3.03Å; Y51-Q53 VanDerWaalsContact C-N 3.33Å; Y51-Q53 PolarHBondContact O-N 3.48Å; Q53-R55 VanDerWaalsContact C-N 3.27Å; Q53-R55 PolarHBondContact O-N 3.46Å; Q53-T56 PolarHBondContact O-N 3.4Å; Q53-T56 PolarHBondContact O-OG1 2.88Å; Q53-Q57 WeakPolarHBondContact O-CB 3.38Å; Q53-Q57 PolarHBondContact O-N 2.88Å |
| 54 | E | 98.1 | Very high | 97.4 | Very high | 110 Ų | 110 | 102.5 Ų | 102.5 | 51% | 0.514 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.5 | -37.6 | 177.7 | -72.3 | 174.2 | -175.4 | 0 | 0 | 111.8 | K50 Y51 W58 | K50-E54 WeakPolarHBondContact CE-OE1 3.4Å; K50-E54 WeakPolarHBondContact O-CG 3.49Å; K50-E54 PolarHBondContact O-N 3.39Å; Y51-E54 PolarHBondContact O-N 2.81Å; E54-W58 WeakPolarHBondContact O-CB 3.36Å; E54-W58 PolarHBondContact O-N 3.23Å |
| 55 | R | 97.8 | Very high | 97.5 | Very high | 119 Ų | 119 | 102.5 Ų | 102.5 | 45% | 0.449 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.3 | -49.4 | 174.2 | -176.8 | -175.4 | 178.6 | 167 | 4.9 | 112.1 | Y51 E52 Q53 Q57 W58 E59 | Y51-R55 WeakPolarHBondContact O-CB 3.38Å; Y51-R55 PolarHBondContact O-N 3.45Å; E52-R55 PolarHBondContact O-N 3.28Å; Q53-R55 VanDerWaalsContact C-N 3.27Å; Q53-R55 PolarHBondContact O-N 3.46Å; R55-Q57 VanDerWaalsContact C-N 3.34Å; R55-Q57 PolarHBondContact O-N 3.5Å; R55-W58 PolarHBondContact O-N 3.4Å; R55-E59 IonicContact NE-OE1 2.65Å; R55-E59 PolarHBondContact NE-OE1 3.38Å; R55-E59 IonicContact NH2-OE1 3.68Å; R55-E59 WeakPolarHBondContact O-CG 3.23Å; R55-E59 PolarHBondContact O-N 3.25Å |
| 56 | T | 98.3 | Very high | 97.7 | Very high | 67 Ų | 67 | 102.4 Ų | 102.4 | 41% | 0.411 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63 | -41 | 178.5 | 55.4 | 0 | 0 | 0 | 0 | 111.6 | E52 Q53 W58 E59 V60 | E52-T56 WeakPolarHBondContact O-CG2 3.39Å; E52-T56 PolarHBondContact O-N 3.38Å; E52-T56 PolarHBondContact O-OG1 3.44Å; Q53-T56 PolarHBondContact O-N 3.4Å; Q53-T56 PolarHBondContact O-OG1 2.88Å; T56-W58 VanDerWaalsContact C-N 3.33Å; T56-W58 PolarHBondContact O-N 2.94Å; T56-E59 PolarHBondContact O-N 2.99Å; T56-V60 WeakPolarHBondContact O-CG2 3.48Å; T56-V60 PolarHBondContact O-N 3.28Å |
| 57 | Q | 98.2 | Very high | 97.9 | Very high | 99 Ų | 99 | 100.2 Ų | 100.2 | 46% | 0.463 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -57.7 | -46.6 | 173.2 | -179.5 | 60.2 | 31.4 | 0 | 0 | 111.3 | Q53 R55 E59 V60 E61 | Q53-Q57 WeakPolarHBondContact O-CB 3.38Å; Q53-Q57 PolarHBondContact O-N 2.88Å; R55-Q57 VanDerWaalsContact C-N 3.34Å; R55-Q57 PolarHBondContact O-N 3.5Å; Q57-E59 VanDerWaalsContact C-N 3.34Å; Q57-E59 PolarHBondContact O-N 3.24Å; Q57-V60 PolarHBondContact O-N 3Å; Q57-E61 PolarHBondContact NE2-OE1 2.96Å; Q57-E61 WeakPolarHBondContact O-CG 3.32Å; Q57-E61 PolarHBondContact O-N 3.22Å |
| 58 | W | 98.1 | Very high | 97.9 | Very high | 156 Ų | 156 | 104 Ų | 104 | 59% | 0.591 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.2 | -37.1 | 177.6 | -175.5 | 72.2 | 0 | 0 | 0 | 112.9 | E54 R55 T56 R62 | E54-W58 WeakPolarHBondContact O-CB 3.36Å; E54-W58 PolarHBondContact O-N 3.23Å; R55-W58 PolarHBondContact O-N 3.4Å; T56-W58 VanDerWaalsContact C-N 3.33Å; T56-W58 PolarHBondContact O-N 2.94Å; W58-R62 VanDerWaalsContact O-CB 3.23Å; W58-R62 WeakPolarHBondContact O-CB 3.36Å; W58-R62 PolarHBondContact O-N 2.94Å |
| 59 | E | 98.1 | Very high | 98 | Very high | 73 Ų | 73 | 100.8 Ų | 100.8 | 34% | 0.341 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.1 | -38.1 | 175.9 | -74 | 178 | -173.8 | 0 | 0 | 112.3 | R55 T56 Q57 A63 | R55-E59 IonicContact NE-OE1 2.65Å; R55-E59 PolarHBondContact NE-OE1 3.38Å; R55-E59 IonicContact NH2-OE1 3.68Å; R55-E59 WeakPolarHBondContact O-CG 3.23Å; R55-E59 PolarHBondContact O-N 3.25Å; T56-E59 PolarHBondContact O-N 2.99Å; Q57-E59 VanDerWaalsContact C-N 3.34Å; Q57-E59 PolarHBondContact O-N 3.24Å; E59-A63 WeakPolarHBondContact O-CB 3.42Å; E59-A63 PolarHBondContact O-N 2.89Å |
| 60 | V | 98 | Very high | 98 | Very high | 74 Ų | 74 | 99.6 Ų | 99.6 | 45% | 0.448 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.4 | -51.9 | 174.3 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | T56 Q57 R62 A63 E64 | T56-V60 WeakPolarHBondContact O-CG2 3.48Å; T56-V60 PolarHBondContact O-N 3.28Å; Q57-V60 PolarHBondContact O-N 3Å; V60-R62 VanDerWaalsContact C-N 3.29Å; V60-R62 PolarHBondContact O-N 2.98Å; V60-A63 WeakPolarHBondContact O-CB 3.43Å; V60-A63 PolarHBondContact O-N 3.42Å; V60-E64 HydrophobicContact CG1-CG 4.46Å; V60-E64 WeakPolarHBondContact O-CG 3.26Å; V60-E64 PolarHBondContact O-N 3.48Å |
| 61 | E | 98.4 | Very high | 98.1 | Very high | 90 Ų | 90 | 102 Ų | 102 | 42% | 0.421 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.2 | -41.8 | 178.9 | -72.9 | 176.4 | -166.6 | 0 | 0 | 111.8 | Q57 A63 E64 L65 | Q57-E61 PolarHBondContact NE2-OE1 2.96Å; Q57-E61 WeakPolarHBondContact O-CG 3.32Å; Q57-E61 PolarHBondContact O-N 3.22Å; E61-A63 VanDerWaalsContact C-N 3.35Å; E61-A63 PolarHBondContact O-N 3.38Å; E61-E64 PolarHBondContact O-N 3.06Å; E61-L65 VanDerWaalsContact O-CG 3.32Å; E61-L65 WeakPolarHBondContact O-CG 3.43Å; E61-L65 PolarHBondContact O-N 2.95Å |
| 62 | R | 98.5 | Very high | 98.1 | Very high | 103 Ų | 103 | 99.9 Ų | 99.9 | 39% | 0.389 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.9 | -45.1 | 174.7 | -171.1 | -178.2 | 75.9 | -131.1 | -0.5 | 111.1 | W58 V60 L65 M66 | W58-R62 VanDerWaalsContact O-CB 3.23Å; W58-R62 WeakPolarHBondContact O-CB 3.36Å; W58-R62 PolarHBondContact O-N 2.94Å; V60-R62 VanDerWaalsContact C-N 3.29Å; V60-R62 PolarHBondContact O-N 2.98Å; R62-L65 PolarHBondContact O-N 2.93Å; R62-M66 HydrophobicContact CG-SD 4.33Å; R62-M66 WeakPolarHBondContact O-CB 3.45Å; R62-M66 VanDerWaalsContact O-CG 3.26Å; R62-M66 WeakPolarHBondContact O-CG 3.29Å; R62-M66 PolarHBondContact O-N 2.98Å |
| 63 | A | 98.5 | Very high | 98.2 | Very high | 57 Ų | 57 | 102.9 Ų | 102.9 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.2 | -42 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | E59 V60 E61 M66 A67 | E59-A63 WeakPolarHBondContact O-CB 3.42Å; E59-A63 PolarHBondContact O-N 2.89Å; V60-A63 WeakPolarHBondContact O-CB 3.43Å; V60-A63 PolarHBondContact O-N 3.42Å; E61-A63 VanDerWaalsContact C-N 3.35Å; E61-A63 PolarHBondContact O-N 3.38Å; A63-M66 PolarHBondContact O-N 3.34Å; A63-A67 WeakPolarHBondContact O-CB 3.37Å; A63-A67 PolarHBondContact O-N 2.92Å |
| 64 | E | 98.3 | Very high | 98.2 | Very high | 125 Ų | 125 | 98.5 Ų | 98.5 | 58% | 0.584 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.6 | -46.4 | 175.9 | -71.9 | -179.8 | -178.9 | 0 | 0 | 112 | V60 E61 A67 K68 | V60-E64 HydrophobicContact CG1-CG 4.46Å; V60-E64 WeakPolarHBondContact O-CG 3.26Å; V60-E64 PolarHBondContact O-N 3.48Å; E61-E64 PolarHBondContact O-N 3.06Å; E64-A67 PolarHBondContact O-N 3.33Å; E64-K68 WeakPolarHBondContact O-CB 3.45Å; E64-K68 PolarHBondContact O-N 3.34Å |
| 65 | L | 98.6 | Very high | 98.1 | Very high | 111 Ų | 111 | 98.1 Ų | 98.1 | 58% | 0.581 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.8 | -42.5 | 177.2 | -70.2 | 174.9 | 0 | 0 | 0 | 111.5 | E61 R62 K68 I69 | E61-L65 VanDerWaalsContact O-CG 3.32Å; E61-L65 WeakPolarHBondContact O-CG 3.43Å; E61-L65 PolarHBondContact O-N 2.95Å; R62-L65 PolarHBondContact O-N 2.93Å; L65-K68 PolarHBondContact O-N 2.92Å; L65-I69 VanDerWaalsContact O-CG1 3.29Å; L65-I69 WeakPolarHBondContact O-CG1 3.25Å; L65-I69 PolarHBondContact O-N 3.37Å |
| 66 | M | 98.5 | Very high | 98.1 | Very high | 123 Ų | 123 | 101.5 Ų | 101.5 | 61% | 0.606 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.3 | -42.2 | 175.8 | -72.8 | -171.4 | 81.8 | 0 | 0 | 111.9 | R62 A63 I69 A70 | R62-M66 HydrophobicContact CG-SD 4.33Å; R62-M66 WeakPolarHBondContact O-CB 3.45Å; R62-M66 VanDerWaalsContact O-CG 3.26Å; R62-M66 WeakPolarHBondContact O-CG 3.29Å; R62-M66 PolarHBondContact O-N 2.98Å; A63-M66 PolarHBondContact O-N 3.34Å; M66-I69 PolarHBondContact O-N 3.35Å; M66-A70 WeakPolarHBondContact O-CB 3.35Å; M66-A70 PolarHBondContact O-N 2.91Å |
| 67 | A | 98.2 | Very high | 98.1 | Very high | 62 Ų | 62 | 105.3 Ų | 105.3 | 51% | 0.512 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A63 E64 A70 F71 | A63-A67 WeakPolarHBondContact O-CB 3.37Å; A63-A67 PolarHBondContact O-N 2.92Å; E64-A67 PolarHBondContact O-N 3.33Å; A67-A70 PolarHBondContact O-N 2.86Å; A67-F71 WeakPolarHBondContact O-CB 3.4Å; A67-F71 PolarHBondContact O-N 3.33Å |
| 68 | K | 98.4 | Very high | 97.9 | Very high | 139 Ų | 139 | 102.5 Ų | 102.5 | 60% | 0.604 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63 | -42.7 | 176.2 | -171.3 | 170.8 | -175.4 | 173.5 | 0 | 112.2 | E64 L65 F71 L72 | E64-K68 WeakPolarHBondContact O-CB 3.45Å; E64-K68 PolarHBondContact O-N 3.34Å; L65-K68 PolarHBondContact O-N 2.92Å; K68-F71 PolarHBondContact O-N 3.44Å; K68-L72 HydrophobicContact CG-CD1 4.34Å; K68-L72 WeakPolarHBondContact O-CG 3.43Å; K68-L72 PolarHBondContact O-N 2.89Å |
| 69 | I | 98.2 | Very high | 97.9 | Very high | 93 Ų | 93 | 100.5 Ų | 100.5 | 48% | 0.477 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.3 | -46.4 | 175.6 | -69.2 | 165 | 0 | 0 | 0 | 110.4 | L65 M66 F71 L72 Q73 | L65-I69 VanDerWaalsContact O-CG1 3.29Å; L65-I69 WeakPolarHBondContact O-CG1 3.25Å; L65-I69 PolarHBondContact O-N 3.37Å; M66-I69 PolarHBondContact O-N 3.35Å; I69-F71 VanDerWaalsContact C-N 3.34Å; I69-F71 PolarHBondContact O-N 3.35Å; I69-L72 PolarHBondContact O-N 3.46Å; I69-Q73 HydrophobicContact CG2-CG 4.22Å; I69-Q73 WeakPolarHBondContact O-CB 3.35Å; I69-Q73 VanDerWaalsContact O-CG 3.25Å; I69-Q73 WeakPolarHBondContact O-CG 3.35Å; I69-Q73 PolarHBondContact O-N 3.05Å |
| 70 | A | 98 | Very high | 97.8 | Very high | 60 Ų | 60 | 100.5 Ų | 100.5 | 50% | 0.496 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.5 | -41.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | M66 A67 Q73 G74 | M66-A70 WeakPolarHBondContact O-CB 3.35Å; M66-A70 PolarHBondContact O-N 2.91Å; A67-A70 PolarHBondContact O-N 2.86Å; A70-Q73 PolarHBondContact O-N 3.14Å; A70-G74 PolarHBondContact O-N 3.28Å |
| 71 | F | 97.7 | Very high | 97.8 | Very high | 141 Ų | 141 | 101.8 Ų | 101.8 | 62% | 0.618 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.7 | -53.2 | 174.6 | 178.3 | -93.5 | 0 | 0 | 0 | 111.7 | A67 K68 I69 Q73 G74 E75 | A67-F71 WeakPolarHBondContact O-CB 3.4Å; A67-F71 PolarHBondContact O-N 3.33Å; K68-F71 PolarHBondContact O-N 3.44Å; I69-F71 VanDerWaalsContact C-N 3.34Å; I69-F71 PolarHBondContact O-N 3.35Å; F71-Q73 VanDerWaalsContact C-N 3.32Å; F71-Q73 PolarHBondContact O-N 2.91Å; F71-G74 PolarHBondContact O-N 3.4Å; F71-E75 PolarHBondContact O-N 2.96Å |
| 72 | L | 98.4 | Very high | 97.7 | Very high | 92 Ų | 92 | 101.6 Ų | 101.6 | 48% | 0.482 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.6 | -36.3 | -179.8 | -69.9 | 173.2 | 0 | 0 | 0 | 112.4 | K68 I69 R76 | K68-L72 HydrophobicContact CG-CD1 4.34Å; K68-L72 WeakPolarHBondContact O-CG 3.43Å; K68-L72 PolarHBondContact O-N 2.89Å; I69-L72 PolarHBondContact O-N 3.46Å; L72-R76 VanDerWaalsContact O-CB 3.26Å; L72-R76 WeakPolarHBondContact O-CB 3.33Å; L72-R76 PolarHBondContact O-N 3.14Å |
| 73 | Q | 97.7 | Very high | 97.7 | Very high | 129 Ų | 129 | 101.2 Ų | 101.2 | 60% | 0.603 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.5 | -41 | 174.6 | -74.8 | 177.9 | -10.5 | 0 | 0 | 112 | I69 A70 F71 K77 | I69-Q73 HydrophobicContact CG2-CG 4.22Å; I69-Q73 WeakPolarHBondContact O-CB 3.35Å; I69-Q73 VanDerWaalsContact O-CG 3.25Å; I69-Q73 WeakPolarHBondContact O-CG 3.35Å; I69-Q73 PolarHBondContact O-N 3.05Å; A70-Q73 PolarHBondContact O-N 3.14Å; F71-Q73 VanDerWaalsContact C-N 3.32Å; F71-Q73 PolarHBondContact O-N 2.91Å; Q73-K77 WeakPolarHBondContact O-CB 3.09Å; Q73-K77 PolarHBondContact O-N 3.13Å |
| 74 | G | 97.2 | Very high | 97.7 | Very high | 46 Ų | 46 | 101.9 Ų | 101.9 | 47% | 0.474 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.2 | -47.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A70 F71 K77 G78 | A70-G74 PolarHBondContact O-N 3.28Å; F71-G74 PolarHBondContact O-N 3.4Å; G74-K77 PolarHBondContact O-N 3.31Å; G74-G78 PolarHBondContact O-N 3.23Å |
| 75 | E | 97.2 | Very high | 97.7 | Very high | 101 Ų | 101 | 98.5 Ų | 98.5 | 47% | 0.472 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60 | -50.7 | 176.1 | -175.1 | 179.9 | -167.4 | 0 | 0 | 111.3 | F71 K77 G78 Q79 | F71-E75 PolarHBondContact O-N 2.96Å; E75-K77 VanDerWaalsContact C-N 3.28Å; E75-K77 PolarHBondContact O-N 3.39Å; E75-G78 PolarHBondContact O-N 3.24Å; E75-G78 VanDerWaalsContact O-N 3.09Å; E75-Q79 WeakPolarHBondContact O-CG 3.42Å; E75-Q79 PolarHBondContact O-N 3.47Å |
| 76 | R | 98.1 | Very high | 97.7 | Very high | 190 Ų | 190 | 97.3 Ų | 97.3 | 72% | 0.717 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -56.1 | -42.1 | 177.2 | -176.7 | -179.6 | -175.1 | -90.8 | -0.9 | 111.9 | L72 Q79 E80 | L72-R76 VanDerWaalsContact O-CB 3.26Å; L72-R76 WeakPolarHBondContact O-CB 3.33Å; L72-R76 PolarHBondContact O-N 3.14Å; R76-Q79 PolarHBondContact O-N 3.1Å; R76-E80 WeakPolarHBondContact O-CB 3.43Å; R76-E80 PolarHBondContact O-N 2.89Å |
| 77 | K | 97.6 | Very high | 97.6 | Very high | 148 Ų | 148 | 94.8 Ų | 94.8 | 64% | 0.643 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.1 | -40.1 | 177.9 | -173.2 | 174.3 | -177.4 | 174.6 | 0 | 111.8 | Q73 G74 E75 E80 N81 | Q73-K77 WeakPolarHBondContact O-CB 3.09Å; Q73-K77 PolarHBondContact O-N 3.13Å; G74-K77 PolarHBondContact O-N 3.31Å; E75-K77 VanDerWaalsContact C-N 3.28Å; E75-K77 PolarHBondContact O-N 3.39Å; K77-E80 PolarHBondContact O-N 3.17Å; K77-N81 VanDerWaalsContact O-CG 3.27Å; K77-N81 PolarHBondContact O-N 3.48Å; K77-N81 VanDerWaalsContact O-N 3.08Å; K77-N81 PolarHBondContact O-ND2 3.49Å |
| 78 | G | 94.4 | Very high | 97.6 | Very high | 40 Ų | 40 | 100.5 Ų | 100.5 | 41% | 0.412 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62 | -45.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G74 E75 E80 N81 L82 | G74-G78 PolarHBondContact O-N 3.23Å; E75-G78 PolarHBondContact O-N 3.24Å; E75-G78 VanDerWaalsContact O-N 3.09Å; G78-E80 PolarHBondContact O-N 2.91Å; G78-N81 PolarHBondContact O-N 3.38Å; G78-L82 PolarHBondContact O-N 3.35Å; G78-L82 VanDerWaalsContact O-N 3.1Å |
| 79 | Q | 97.9 | Very high | 97.6 | Very high | 114 Ų | 114 | 100.7 Ų | 100.7 | 53% | 0.533 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.2 | -43.5 | 175.7 | -70.8 | -65.2 | -26.9 | 0 | 0 | 112.2 | E75 R76 N81 L82 K83 | E75-Q79 WeakPolarHBondContact O-CG 3.42Å; E75-Q79 PolarHBondContact O-N 3.47Å; R76-Q79 PolarHBondContact O-N 3.1Å; Q79-N81 VanDerWaalsContact C-N 3.35Å; Q79-N81 PolarHBondContact O-N 3.16Å; Q79-L82 PolarHBondContact O-N 3.32Å; Q79-K83 PolarHBondContact O-N 2.93Å |
| 80 | E | 96.5 | Very high | 97.6 | Very high | 73 Ų | 73 | 99.8 Ų | 99.8 | 34% | 0.341 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.1 | -39.4 | 178.3 | -175.9 | 56.5 | -145.3 | 0 | 0 | 112.1 | R76 K77 G78 L82 K83 N84 | R76-E80 WeakPolarHBondContact O-CB 3.43Å; R76-E80 PolarHBondContact O-N 2.89Å; K77-E80 PolarHBondContact O-N 3.17Å; G78-E80 PolarHBondContact O-N 2.91Å; E80-L82 VanDerWaalsContact C-N 3.35Å; E80-L82 PolarHBondContact O-N 2.98Å; E80-K83 PolarHBondContact O-N 3.32Å; E80-K83 WeakPolarHBondContact OE1-CE 3.32Å; E80-K83 IonicContact OE1-NZ 3.25Å; E80-K83 PolarHBondContact OE1-NZ 3.43Å; E80-K83 WeakPolarHBondContact OE2-CE 3.31Å; E80-K83 IonicContact OE2-NZ 4Å; E80-N84 WeakPolarHBondContact O-CB 3.42Å; E80-N84 VanDerWaalsContact O-CG 3.25Å; E80-N84 PolarHBondContact O-N 3.38Å; E80-N84 PolarHBondContact O-ND2 3.09Å; E80-N84 PolarHBondContact OE1-ND2 3.27Å; E80-N84 PolarHBondContact OE1-OD1 3.16Å |
| 81 | N | 96.9 | Very high | 97.6 | Very high | 100 Ų | 100 | 102.9 Ų | 102.9 | 54% | 0.535 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 174.5 | -72.2 | -19.7 | 0 | 0 | 0 | 111.5 | K77 G78 Q79 N84 D85 | K77-N81 VanDerWaalsContact O-CG 3.27Å; K77-N81 PolarHBondContact O-N 3.48Å; K77-N81 VanDerWaalsContact O-N 3.08Å; K77-N81 PolarHBondContact O-ND2 3.49Å; G78-N81 PolarHBondContact O-N 3.38Å; Q79-N81 VanDerWaalsContact C-N 3.35Å; Q79-N81 PolarHBondContact O-N 3.16Å; N81-N84 PolarHBondContact O-N 3.45Å; N81-D85 WeakPolarHBondContact O-CB 3.26Å; N81-D85 PolarHBondContact O-N 3.41Å |
| 82 | L | 97.8 | Very high | 97.6 | Very high | 87 Ų | 87 | 102 Ų | 102 | 46% | 0.455 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.7 | -45.2 | 176.8 | -179.8 | 61.2 | 0 | 0 | 0 | 111.6 | G78 Q79 E80 N84 D85 L86 | G78-L82 PolarHBondContact O-N 3.35Å; G78-L82 VanDerWaalsContact O-N 3.1Å; Q79-L82 PolarHBondContact O-N 3.32Å; E80-L82 VanDerWaalsContact C-N 3.35Å; E80-L82 PolarHBondContact O-N 2.98Å; L82-N84 VanDerWaalsContact C-N 3.32Å; L82-N84 PolarHBondContact O-N 3.36Å; L82-D85 PolarHBondContact O-N 2.94Å; L82-L86 HydrophobicContact CD1-CD1 4.19Å; L82-L86 HydrophobicContact CD1-CG 4.17Å; L82-L86 HydrophobicContact CG-CD1 4.05Å; L82-L86 HydrophobicContact CG-CG 4.44Å; L82-L86 WeakPolarHBondContact O-CB 3.19Å; L82-L86 WeakPolarHBondContact O-CG 3.18Å; L82-L86 PolarHBondContact O-N 3.45Å |
| 83 | K | 98.3 | Very high | 97.6 | Very high | 94 Ų | 94 | 103.5 Ų | 103.5 | 41% | 0.409 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -55.9 | -48 | 174.9 | -177.8 | -173.1 | 59.7 | 64.5 | 0 | 111.1 | Q79 E80 D85 L86 V87 | Q79-K83 PolarHBondContact O-N 2.93Å; E80-K83 PolarHBondContact O-N 3.32Å; E80-K83 WeakPolarHBondContact OE1-CE 3.32Å; E80-K83 IonicContact OE1-NZ 3.25Å; E80-K83 PolarHBondContact OE1-NZ 3.43Å; E80-K83 WeakPolarHBondContact OE2-CE 3.31Å; E80-K83 IonicContact OE2-NZ 4Å; K83-D85 PolarHBondContact O-N 3.47Å; K83-L86 PolarHBondContact O-N 2.87Å; K83-V87 HydrophobicContact CG-CG2 4.43Å; K83-V87 VanDerWaalsContact O-CG2 3.27Å; K83-V87 WeakPolarHBondContact O-CG2 3.4Å; K83-V87 PolarHBondContact O-N 3.22Å |
| 84 | N | 97.9 | Very high | 97.6 | Very high | 71 Ų | 71 | 101.6 Ų | 101.6 | 38% | 0.38 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.2 | -37.3 | -177.6 | -71.2 | -31.7 | 0 | 0 | 0 | 112.8 | E80 N81 L82 R88 | E80-N84 WeakPolarHBondContact O-CB 3.42Å; E80-N84 VanDerWaalsContact O-CG 3.25Å; E80-N84 PolarHBondContact O-N 3.38Å; E80-N84 PolarHBondContact O-ND2 3.09Å; E80-N84 PolarHBondContact OE1-ND2 3.27Å; E80-N84 PolarHBondContact OE1-OD1 3.16Å; N81-N84 PolarHBondContact O-N 3.45Å; L82-N84 VanDerWaalsContact C-N 3.32Å; L82-N84 PolarHBondContact O-N 3.36Å; N84-R88 PolarHBondContact O-N 2.97Å; N84-R88 VanDerWaalsContact O-N 3.15Å |
| 85 | D | 97.7 | Very high | 97.6 | Very high | 54 Ų | 54 | 104.7 Ų | 104.7 | 29% | 0.289 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.4 | -49.3 | 172.7 | 175 | 48.5 | 0 | 0 | 0 | 111.6 | N81 L82 K83 V87 R88 R89 | N81-D85 WeakPolarHBondContact O-CB 3.26Å; N81-D85 PolarHBondContact O-N 3.41Å; L82-D85 PolarHBondContact O-N 2.94Å; K83-D85 PolarHBondContact O-N 3.47Å; D85-V87 PolarHBondContact O-N 2.91Å; D85-R88 WeakPolarHBondContact O-CB 3.33Å; D85-R88 PolarHBondContact O-N 2.94Å; D85-R88 VanDerWaalsContact O-N 3.13Å; D85-R89 VanDerWaalsContact CG-NE 3.28Å; D85-R89 WeakPolarHBondContact O-CG 3.29Å; D85-R89 PolarHBondContact O-N 3.19Å; D85-R89 IonicContact OD1-CZ 3Å; D85-R89 IonicContact OD1-NE 3.59Å; D85-R89 PolarHBondContact OD1-NE 3.01Å; D85-R89 IonicContact OD1-NH2 3Å; D85-R89 PolarHBondContact OD1-NH2 3.15Å; D85-R89 IonicContact OD2-CZ 3.5Å; D85-R89 IonicContact OD2-NE 2.69Å; D85-R89 PolarHBondContact OD2-NE 3.27Å; D85-R89 IonicContact OD2-NH2 2.94Å; D85-R89 PolarHBondContact OD2-NH2 3.23Å |
| 86 | L | 98.4 | Very high | 97.6 | Very high | 87 Ų | 87 | 102.2 Ų | 102.2 | 46% | 0.455 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.7 | -44.4 | 178.1 | -70.8 | 174.6 | 0 | 0 | 0 | 112.3 | L82 K83 R88 R89 V90 | L82-L86 HydrophobicContact CD1-CD1 4.19Å; L82-L86 HydrophobicContact CD1-CG 4.17Å; L82-L86 HydrophobicContact CG-CD1 4.05Å; L82-L86 HydrophobicContact CG-CG 4.44Å; L82-L86 WeakPolarHBondContact O-CB 3.19Å; L82-L86 WeakPolarHBondContact O-CG 3.18Å; L82-L86 PolarHBondContact O-N 3.45Å; K83-L86 PolarHBondContact O-N 2.87Å; L86-R88 VanDerWaalsContact C-N 3.3Å; L86-R88 PolarHBondContact O-N 2.75Å; L86-R89 PolarHBondContact O-N 2.96Å; L86-V90 WeakPolarHBondContact O-CG2 3.41Å; L86-V90 PolarHBondContact O-N 2.75Å |
| 87 | V | 98.3 | Very high | 97.6 | Very high | 70 Ų | 70 | 97.6 Ų | 97.6 | 42% | 0.424 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.3 | -42.1 | 176 | 169.2 | 0 | 0 | 0 | 0 | 111.2 | K83 D85 V90 K91 | K83-V87 HydrophobicContact CG-CG2 4.43Å; K83-V87 VanDerWaalsContact O-CG2 3.27Å; K83-V87 WeakPolarHBondContact O-CG2 3.4Å; K83-V87 PolarHBondContact O-N 3.22Å; D85-V87 PolarHBondContact O-N 2.91Å; V87-V90 PolarHBondContact O-N 3.06Å; V87-K91 WeakPolarHBondContact O-CG 3.45Å; V87-K91 PolarHBondContact O-N 3.09Å |
| 88 | R | 98.2 | Very high | 97.5 | Very high | 181 Ų | 181 | 97.2 Ų | 97.2 | 68% | 0.683 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -64.6 | -42.9 | 177 | -169.4 | -173.7 | -58.8 | -147.3 | 0.3 | 111.7 | N84 D85 L86 K91 M92 | N84-R88 PolarHBondContact O-N 2.97Å; N84-R88 VanDerWaalsContact O-N 3.15Å; D85-R88 WeakPolarHBondContact O-CB 3.33Å; D85-R88 PolarHBondContact O-N 2.94Å; D85-R88 VanDerWaalsContact O-N 3.13Å; L86-R88 VanDerWaalsContact C-N 3.3Å; L86-R88 PolarHBondContact O-N 2.75Å; R88-K91 PolarHBondContact O-N 3.05Å; R88-M92 PolarHBondContact O-N 3.18Å |
| 89 | R | 98.3 | Very high | 97.6 | Very high | 143 Ų | 143 | 100.7 Ų | 100.7 | 54% | 0.54 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.9 | -44.5 | 176.5 | -68.3 | 176.5 | -168.2 | -160.1 | 6 | 111.6 | D85 L86 K91 M92 L93 | D85-R89 VanDerWaalsContact CG-NE 3.28Å; D85-R89 WeakPolarHBondContact O-CG 3.29Å; D85-R89 PolarHBondContact O-N 3.19Å; D85-R89 IonicContact OD1-CZ 3Å; D85-R89 IonicContact OD1-NE 3.59Å; D85-R89 PolarHBondContact OD1-NE 3.01Å; D85-R89 IonicContact OD1-NH2 3Å; D85-R89 PolarHBondContact OD1-NH2 3.15Å; D85-R89 IonicContact OD2-CZ 3.5Å; D85-R89 IonicContact OD2-NE 2.69Å; D85-R89 PolarHBondContact OD2-NE 3.27Å; D85-R89 IonicContact OD2-NH2 2.94Å; D85-R89 PolarHBondContact OD2-NH2 3.23Å; L86-R89 PolarHBondContact O-N 2.96Å; R89-K91 VanDerWaalsContact C-N 3.35Å; R89-K91 PolarHBondContact O-N 2.85Å; R89-M92 PolarHBondContact O-N 3.11Å; R89-L93 WeakPolarHBondContact O-CB 3.43Å; R89-L93 VanDerWaalsContact O-CG 3.3Å; R89-L93 WeakPolarHBondContact O-CG 3.41Å; R89-L93 PolarHBondContact O-N 3.23Å |
| 90 | V | 97.9 | Very high | 97.4 | Very high | 74 Ų | 74 | 100.1 Ų | 100.1 | 45% | 0.448 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -57.8 | -47.8 | 174.8 | 171.7 | 0 | 0 | 0 | 0 | 110.4 | L86 V87 M92 L93 E94 | L86-V90 WeakPolarHBondContact O-CG2 3.41Å; L86-V90 PolarHBondContact O-N 2.75Å; V87-V90 PolarHBondContact O-N 3.06Å; V90-M92 VanDerWaalsContact C-N 3.34Å; V90-M92 PolarHBondContact O-N 3.4Å; V90-L93 PolarHBondContact O-N 3.48Å; V90-L93 VanDerWaalsContact O-N 3.17Å; V90-E94 HydrophobicContact CG1-CG 4.21Å; V90-E94 WeakPolarHBondContact O-CB 3.44Å; V90-E94 WeakPolarHBondContact O-CG 3.43Å; V90-E94 PolarHBondContact O-N 3.22Å |
| 91 | K | 98 | Very high | 97.3 | Very high | 126 Ų | 126 | 104.9 Ų | 104.9 | 55% | 0.548 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -57.8 | -43.5 | 176.8 | -74.2 | -178.8 | 176.3 | -174.9 | 0 | 113 | V87 R88 R89 E94 F95 | V87-K91 WeakPolarHBondContact O-CG 3.45Å; V87-K91 PolarHBondContact O-N 3.09Å; R88-K91 PolarHBondContact O-N 3.05Å; R89-K91 VanDerWaalsContact C-N 3.35Å; R89-K91 PolarHBondContact O-N 2.85Å; K91-E94 PolarHBondContact O-N 2.89Å; K91-F95 WeakPolarHBondContact O-CB 3.42Å; K91-F95 PolarHBondContact O-N 3.4Å |
| 92 | M | 96.9 | Very high | 97.1 | Very high | 122 Ų | 122 | 102.4 Ų | 102.4 | 60% | 0.601 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.5 | -41.3 | 176.9 | -74.7 | -59.6 | -60.7 | 0 | 0 | 112.1 | R88 R89 V90 F95 A96 | R88-M92 PolarHBondContact O-N 3.18Å; R89-M92 PolarHBondContact O-N 3.11Å; V90-M92 VanDerWaalsContact C-N 3.34Å; V90-M92 PolarHBondContact O-N 3.4Å; M92-F95 PolarHBondContact O-N 3.16Å; M92-A96 WeakPolarHBondContact O-CB 3.47Å; M92-A96 PolarHBondContact O-N 3.45Å |
| 93 | L | 98.5 | Very high | 96.8 | Very high | 123 Ų | 123 | 103 Ų | 103 | 64% | 0.644 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -67.7 | -40.9 | 177.2 | -70.5 | 171.9 | 0 | 0 | 0 | 112 | R89 V90 F95 A96 L97 | R89-L93 WeakPolarHBondContact O-CB 3.43Å; R89-L93 VanDerWaalsContact O-CG 3.3Å; R89-L93 WeakPolarHBondContact O-CG 3.41Å; R89-L93 PolarHBondContact O-N 3.23Å; V90-L93 PolarHBondContact O-N 3.48Å; V90-L93 VanDerWaalsContact O-N 3.17Å; L93-F95 VanDerWaalsContact C-N 3.34Å; L93-F95 PolarHBondContact O-N 2.71Å; L93-A96 PolarHBondContact O-N 3.5Å; L93-L97 WeakPolarHBondContact O-CB 3.5Å; L93-L97 PolarHBondContact O-N 2.9Å |
| 94 | E | 97.5 | Very high | 96.5 | Very high | 89 Ų | 89 | 105.3 Ų | 105.3 | 42% | 0.416 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.8 | -41.1 | 174.2 | -73.5 | 179.6 | -177.3 | 0 | 0 | 111.9 | V90 K91 L97 R98 | V90-E94 HydrophobicContact CG1-CG 4.21Å; V90-E94 WeakPolarHBondContact O-CB 3.44Å; V90-E94 WeakPolarHBondContact O-CG 3.43Å; V90-E94 PolarHBondContact O-N 3.22Å; K91-E94 PolarHBondContact O-N 2.89Å; E94-L97 PolarHBondContact O-N 3.24Å; E94-R98 WeakPolarHBondContact O-CB 2.89Å; E94-R98 VanDerWaalsContact O-CG 3.3Å; E94-R98 WeakPolarHBondContact O-CG 3.03Å; E94-R98 PolarHBondContact O-N 3.33Å; E94-R98 IonicContact OE2-NH2 3.02Å; E94-R98 PolarHBondContact OE2-NH2 3.35Å |
| 95 | F | 97.8 | Very high | 96.2 | Very high | 112 Ų | 112 | 108.9 Ų | 108.9 | 49% | 0.491 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64 | -46.9 | 176.2 | 178.7 | -96.6 | 0 | 0 | 0 | 111.4 | K91 M92 L93 L97 R98 Q99 | K91-F95 WeakPolarHBondContact O-CB 3.42Å; K91-F95 PolarHBondContact O-N 3.4Å; M92-F95 PolarHBondContact O-N 3.16Å; L93-F95 VanDerWaalsContact C-N 3.34Å; L93-F95 PolarHBondContact O-N 2.71Å; F95-L97 VanDerWaalsContact C-N 3.32Å; F95-L97 PolarHBondContact O-N 3.46Å; F95-R98 PolarHBondContact O-N 3.1Å; F95-Q99 WeakPolarHBondContact O-CB 3.45Å; F95-Q99 PolarHBondContact O-N 3.15Å |
| 96 | A | 97.1 | Very high | 95.8 | Very high | 49 Ų | 49 | 114 Ų | 114 | 41% | 0.405 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.5 | -42.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | M92 L93 Q99 E100 | M92-A96 WeakPolarHBondContact O-CB 3.47Å; M92-A96 PolarHBondContact O-N 3.45Å; L93-A96 PolarHBondContact O-N 3.5Å; A96-Q99 PolarHBondContact O-N 2.96Å; A96-E100 PolarHBondContact O-N 3.09Å |
| 97 | L | 97.2 | Very high | 95.3 | Very high | 93 Ų | 93 | 116.1 Ų | 116.1 | 49% | 0.487 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.2 | -42.3 | 177.1 | -175.5 | 64.5 | 0 | 0 | 0 | 112.1 | L93 E94 F95 Q99 E100 R101 | L93-L97 WeakPolarHBondContact O-CB 3.5Å; L93-L97 PolarHBondContact O-N 2.9Å; E94-L97 PolarHBondContact O-N 3.24Å; F95-L97 VanDerWaalsContact C-N 3.32Å; F95-L97 PolarHBondContact O-N 3.46Å; L97-Q99 VanDerWaalsContact C-N 3.34Å; L97-E100 PolarHBondContact O-N 3.43Å; L97-R101 WeakPolarHBondContact O-CB 3.39Å; L97-R101 WeakPolarHBondContact O-CG 3.39Å; L97-R101 PolarHBondContact O-N 2.89Å |
| 98 | R | 96.4 | Very high | 94.6 | Very high | 139 Ų | 139 | 117.6 Ų | 117.6 | 53% | 0.525 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.7 | -42.8 | 174.4 | -78 | -177.2 | -112.1 | 128 | -5.6 | 111.2 | E94 F95 R101 A102 | E94-R98 WeakPolarHBondContact O-CB 2.89Å; E94-R98 VanDerWaalsContact O-CG 3.3Å; E94-R98 WeakPolarHBondContact O-CG 3.03Å; E94-R98 PolarHBondContact O-N 3.33Å; E94-R98 IonicContact OE2-NH2 3.02Å; E94-R98 PolarHBondContact OE2-NH2 3.35Å; F95-R98 PolarHBondContact O-N 3.1Å; R98-R101 PolarHBondContact O-N 3.31Å; R98-A102 WeakPolarHBondContact O-CB 3.4Å; R98-A102 PolarHBondContact O-N 2.91Å |
| 99 | Q | 95.5 | Very high | 93.6 | Very high | 114 Ų | 114 | 114.5 Ų | 114.5 | 53% | 0.533 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63 | -44 | 176.8 | -176.6 | 176.2 | 73.2 | 0 | 0 | 112 | F95 A96 L97 A102 K103 | F95-Q99 WeakPolarHBondContact O-CB 3.45Å; F95-Q99 PolarHBondContact O-N 3.15Å; A96-Q99 PolarHBondContact O-N 2.96Å; L97-Q99 VanDerWaalsContact C-N 3.34Å; Q99-A102 PolarHBondContact O-N 3.05Å; Q99-K103 WeakPolarHBondContact O-CB 3.21Å; Q99-K103 PolarHBondContact O-N 2.95Å |
| 100 | E | 93.6 | Very high | 91.7 | Very high | 102 Ų | 102 | 109.7 Ų | 109.7 | 48% | 0.477 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.2 | -41.7 | 179.1 | -167.4 | 60.7 | -156.6 | 0 | 0 | 111.7 | A96 L97 A102 K103 Y104 | A96-E100 PolarHBondContact O-N 3.09Å; L97-E100 PolarHBondContact O-N 3.43Å; E100-A102 VanDerWaalsContact C-N 3.34Å; E100-A102 PolarHBondContact O-N 2.95Å; E100-K103 WeakPolarHBondContact O-CB 3.29Å; E100-K103 PolarHBondContact O-N 2.97Å; E100-Y104 WeakPolarHBondContact O-CB 3.35Å; E100-Y104 PolarHBondContact O-N 3.29Å |
| 101 | R | 95.4 | Very high | 89.6 | Confident | 173 Ų | 173 | 115.4 Ų | 115.4 | 65% | 0.653 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60.2 | -42.9 | 172.7 | -74.4 | 179 | 176.2 | 178.9 | -0.3 | 111.9 | L97 R98 K103 Y104 Y105 | L97-R101 WeakPolarHBondContact O-CB 3.39Å; L97-R101 WeakPolarHBondContact O-CG 3.39Å; L97-R101 PolarHBondContact O-N 2.89Å; R98-R101 PolarHBondContact O-N 3.31Å; R101-K103 VanDerWaalsContact C-N 3.33Å; R101-K103 PolarHBondContact O-N 2.69Å; R101-Y104 PolarHBondContact O-N 3.23Å; R101-Y105 WeakPolarHBondContact O-CB 3.36Å; R101-Y105 PolarHBondContact O-N 3.43Å |
| 102 | A | 91.9 | Very high | 87.1 | Confident | 48 Ų | 48 | 118.2 Ų | 118.2 | 40% | 0.397 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.8 | -32.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | R98 Q99 E100 R106 | R98-A102 WeakPolarHBondContact O-CB 3.4Å; R98-A102 PolarHBondContact O-N 2.91Å; Q99-A102 PolarHBondContact O-N 3.05Å; E100-A102 VanDerWaalsContact C-N 3.34Å; E100-A102 PolarHBondContact O-N 2.95Å; A102-R106 WeakPolarHBondContact O-CG 3.36Å; A102-R106 PolarHBondContact O-N 3.08Å; A102-R106 PolarHBondContact O-NE 3.41Å |
| 103 | K | 92.2 | Very high | 84.8 | Confident | 98 Ų | 98 | 117 Ų | 117 | 43% | 0.426 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -69.7 | -44.7 | 173.4 | -176.7 | -173.7 | 173.1 | -164.5 | 0 | 111.4 | Q99 E100 R101 R106 L107 | Q99-K103 WeakPolarHBondContact O-CB 3.21Å; Q99-K103 PolarHBondContact O-N 2.95Å; E100-K103 WeakPolarHBondContact O-CB 3.29Å; E100-K103 PolarHBondContact O-N 2.97Å; R101-K103 VanDerWaalsContact C-N 3.33Å; R101-K103 PolarHBondContact O-N 2.69Å; K103-R106 PolarHBondContact O-N 3.48Å; K103-L107 WeakPolarHBondContact O-CG 3.42Å; K103-L107 PolarHBondContact O-N 2.98Å; K103-L107 VanDerWaalsContact O-N 3.17Å |
| 104 | Y | 91.7 | Very high | 82.2 | Confident | 143 Ų | 143 | 116 Ų | 116 | 56% | 0.561 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.5 | -40.7 | 178.1 | -172.9 | -116.9 | 0 | 0 | 0 | 112.4 | E100 R101 R106 L107 L108 | E100-Y104 WeakPolarHBondContact O-CB 3.35Å; E100-Y104 PolarHBondContact O-N 3.29Å; R101-Y104 PolarHBondContact O-N 3.23Å; Y104-R106 PolarHBondContact O-N 3.21Å; Y104-L107 PolarHBondContact O-N 2.93Å; Y104-L107 VanDerWaalsContact O-N 3.15Å; Y104-L108 HydrophobicContact CD1-CD1 3.49Å; Y104-L108 VanDerWaalsContact CD1-CD1 3.49Å; Y104-L108 HydrophobicContact CD1-CG 4.47Å; Y104-L108 HydrophobicContact CD2-CD1 4.38Å; Y104-L108 HydrophobicContact CE1-CD1 3.05Å; Y104-L108 HydrophobicContact CE1-CG 4.09Å; Y104-L108 HydrophobicContact CE2-CD1 4Å; Y104-L108 HydrophobicContact CE2-CG 4.18Å; Y104-L108 HydrophobicContact CG-CD1 4.15Å; Y104-L108 PolarHBondContact O-N 2.96Å |
| 105 | Y | 91.5 | Very high | 79.6 | Confident | 147 Ų | 147 | 119.7 Ų | 119.7 | 58% | 0.576 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -59.6 | -43.9 | 174.1 | -173.5 | -90 | 0 | 0 | 0 | 112 | R101 L107 L108 H109 | R101-Y105 WeakPolarHBondContact O-CB 3.36Å; R101-Y105 PolarHBondContact O-N 3.43Å; Y105-L107 VanDerWaalsContact C-N 3.29Å; Y105-L107 PolarHBondContact O-N 3.16Å; Y105-L108 PolarHBondContact O-N 2.79Å; Y105-H109 AromaticContact CD2-CD2 3.3Å; Y105-H109 WeakPolarHBondContact CD2-CD2 3.31Å; Y105-H109 AromaticContact CD2-NE2 3.75Å; Y105-H109 HydrophobicContact CE1-CB 4.26Å; Y105-H109 AromaticContact CE2-CD2 3.21Å; Y105-H109 WeakPolarHBondContact CE2-CD2 3.2Å; Y105-H109 AromaticContact CE2-CG 3.94Å; Y105-H109 AromaticContact CE2-NE2 3.49Å; Y105-H109 WeakPolarHBondContact CE2-NE2 3.38Å; Y105-H109 AromaticContact CG-CD2 3.82Å; Y105-H109 AromaticContact CZ-CD2 3.66Å; Y105-H109 AromaticContact CZ-CG 3.94Å; Y105-H109 WeakPolarHBondContact O-CB 3.35Å; Y105-H109 PolarHBondContact O-N 3.11Å |
| 106 | R | 89.6 | Confident | 76.7 | Confident | 160 Ų | 160 | 122.8 Ų | 122.8 | 60% | 0.604 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -61.4 | -33.3 | 174.8 | -77.9 | 178.9 | -77.6 | 143.5 | -8.9 | 113.3 | A102 K103 Y104 | A102-R106 WeakPolarHBondContact O-CG 3.36Å; A102-R106 PolarHBondContact O-N 3.08Å; A102-R106 PolarHBondContact O-NE 3.41Å; K103-R106 PolarHBondContact O-N 3.48Å; Y104-R106 PolarHBondContact O-N 3.21Å |
| 107 | L | 87.5 | Confident | 74 | Confident | 133 Ų | 133 | 127.8 Ų | 127.8 | 70% | 0.696 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -77.8 | -37.7 | 178.2 | -71.9 | 168.5 | 0 | 0 | 0 | 113 | K103 Y104 Y105 | K103-L107 WeakPolarHBondContact O-CG 3.42Å; K103-L107 PolarHBondContact O-N 2.98Å; K103-L107 VanDerWaalsContact O-N 3.17Å; Y104-L107 PolarHBondContact O-N 2.93Å; Y104-L107 VanDerWaalsContact O-N 3.15Å; Y105-L107 VanDerWaalsContact C-N 3.29Å; Y105-L107 PolarHBondContact O-N 3.16Å |
| 108 | L | 84.8 | Confident | 71.3 | Confident | 100 Ų | 100 | 130.7 Ų | 130.7 | 52% | 0.524 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -77.7 | -42.3 | -178.3 | -86.5 | 166.8 | 0 | 0 | 0 | 113.5 | Y104 Y105 G110 | Y104-L108 HydrophobicContact CD1-CD1 3.49Å; Y104-L108 VanDerWaalsContact CD1-CD1 3.49Å; Y104-L108 HydrophobicContact CD1-CG 4.47Å; Y104-L108 HydrophobicContact CD2-CD1 4.38Å; Y104-L108 HydrophobicContact CE1-CD1 3.05Å; Y104-L108 HydrophobicContact CE1-CG 4.09Å; Y104-L108 HydrophobicContact CE2-CD1 4Å; Y104-L108 HydrophobicContact CE2-CG 4.18Å; Y104-L108 HydrophobicContact CG-CD1 4.15Å; Y104-L108 PolarHBondContact O-N 2.96Å; Y105-L108 PolarHBondContact O-N 2.79Å; L108-G110 VanDerWaalsContact C-N 3.3Å |
| 109 | H | 77.1 | Confident | 69 | Low | 116 Ų | 116 | 128.8 Ų | 128.8 | 54% | 0.537 | 64% | 0.64 | S | S | . | * | S | Bend | trans | -91 | 6 | -171.7 | -71.1 | -75.4 | 0 | 0 | 0 | 113.6 | Y105 | Y105-H109 AromaticContact CD2-CD2 3.3Å; Y105-H109 WeakPolarHBondContact CD2-CD2 3.31Å; Y105-H109 AromaticContact CD2-NE2 3.75Å; Y105-H109 HydrophobicContact CE1-CB 4.26Å; Y105-H109 AromaticContact CE2-CD2 3.21Å; Y105-H109 WeakPolarHBondContact CE2-CD2 3.2Å; Y105-H109 AromaticContact CE2-CG 3.94Å; Y105-H109 AromaticContact CE2-NE2 3.49Å; Y105-H109 WeakPolarHBondContact CE2-NE2 3.38Å; Y105-H109 AromaticContact CG-CD2 3.82Å; Y105-H109 AromaticContact CZ-CD2 3.66Å; Y105-H109 AromaticContact CZ-CG 3.94Å; Y105-H109 WeakPolarHBondContact O-CB 3.35Å; Y105-H109 PolarHBondContact O-N 3.11Å |
| 110 | G | 58 | Low | 66.4 | Low | 42 Ų | 42 | 128.1 Ų | 128.1 | 43% | 0.433 | 65% | 0.646 | S | S | . | * | trans | 69.4 | 150.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L108 E112 | L108-G110 VanDerWaalsContact C-N 3.3Å; G110-E112 PolarHBondContact O-N 3.37Å | ||
| 111 | E | 53.9 | Low | 64.4 | Low | 195 Ų | 195 | 129.1 Ų | 129.1 | 91% | 0.911 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -70.4 | 69.8 | 176.6 | -168.2 | 160.6 | 157.3 | 0 | 0 | 110.6 | ||
| 112 | E | 45.2 | Very low | 61.6 | Low | 184 Ų | 184 | 128.1 Ų | 128.1 | 86% | 0.86 | 67% | 0.666 | S | S | * | * | trans | -126 | 58.4 | 172.9 | -75.5 | -75.8 | 160.9 | 0 | 0 | 108.4 | G110 | G110-E112 PolarHBondContact O-N 3.37Š| ||
| 113 | A | 47.7 | Very low | 59.4 | Low | 98 Ų | 98 | 137.1 Ų | 137.1 | 81% | 0.81 | 69% | 0.689 | S | S | * | * | trans | -142.9 | 75.2 | 158 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 114 | S | 44.5 | Very low | 56.8 | Low | 102 Ų | 102 | 138.5 Ų | 138.5 | 71% | 0.713 | 71% | 0.707 | S | S | * | * | trans | -18.8 | 131.6 | 159.6 | -170.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 115 | E | 43.3 | Very low | 54.2 | Low | 166 Ų | 166 | 137 Ų | 137 | 78% | 0.776 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -37.7 | 145.3 | 146.9 | -66.8 | 174.9 | 126.6 | 0 | 0 | 110 | ||
| 116 | K | 37.2 | Very low | 51.9 | Low | 176 Ų | 176 | 136.1 Ų | 136.1 | 77% | 0.765 | 73% | 0.726 | S | S | * | * | trans | 89.6 | 92.8 | 175.5 | -48.2 | 154.1 | -174.4 | 171.3 | 0 | 114.1 | ||||
| 117 | D | 39.8 | Very low | 49.6 | Very low | 155 Ų | 155 | 137.4 Ų | 137.4 | 83% | 0.829 | 74% | 0.736 | S | S | * | * | -177.7 | 127 | 98.8 | -109.8 | -15 | 0 | 0 | 0 | 111 | |||||
| 118 | E | 40.9 | Very low | 47.2 | Very low | 154 Ų | 154 | 136.9 Ų | 136.9 | 72% | 0.72 | 74% | 0.738 | S | S | * | * | trans | -73 | 137.2 | 159.5 | -165.4 | -110.9 | -176.6 | 0 | 0 | 107.8 | ||||
| 119 | P | 47.4 | Very low | 45.3 | Very low | 98 Ų | 98 | 140.8 Ų | 140.8 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | trans | -138.3 | 146.6 | 131.3 | 34.8 | -23 | 0 | 0 | 0 | 112.9 | ||||
| 120 | P | 41.4 | Very low | 44 | Very low | 101 Ų | 101 | 141.3 Ų | 141.3 | 66% | 0.656 | 77% | 0.765 | S | S | * | * | trans | -82.5 | 130.1 | 175.2 | 33.7 | -29.7 | 0 | 0 | 0 | 108.9 | ||||
| 121 | V | 52 | Low | 43.2 | Very low | 122 Ų | 122 | 145.3 Ų | 145.3 | 74% | 0.739 | 78% | 0.783 | S | S | * | * | trans | -133.3 | 99.3 | 168 | -157.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 122 | D | 36.4 | Very low | 42.5 | Very low | 152 Ų | 152 | 141.9 Ų | 141.9 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | -41.5 | 128.3 | 156.5 | -77.8 | -40.7 | 0 | 0 | 0 | 112 | ||||
| 123 | R | 45.1 | Very low | 42.3 | Very low | 237 Ų | 237 | 138.6 Ų | 138.6 | 89% | 0.894 | 78% | 0.777 | S | S | * | * | trans | -140.2 | 95.4 | 146.5 | -72.7 | -160.9 | 171.7 | 179.2 | -2.3 | 110.7 | ||||
| 124 | T | 36.9 | Very low | 42.1 | Very low | 128 Ų | 128 | 140.9 Ų | 140.9 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | -34.3 | 152.6 | 153.3 | 29.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 125 | S | 37.8 | Very low | 41.9 | Very low | 112 Ų | 112 | 141.8 Ų | 141.8 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | trans | 102.9 | 106.6 | 141 | -99.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 126 | V | 43.2 | Very low | 41.8 | Very low | 127 Ų | 127 | 139.6 Ų | 139.6 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | trans | 82.8 | 99.3 | 141.9 | -158.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 127 | K | 40.7 | Very low | 42.5 | Very low | 187 Ų | 187 | 135.7 Ų | 135.7 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | 169.4 | 123.2 | 91.2 | -153.6 | 170.2 | 176.9 | -166.9 | 0 | 110 | |||||
| 128 | V | 38.5 | Very low | 42.4 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 74% | 0.739 | 75% | 0.751 | S | S | * | * | trans | 15.9 | 112.2 | 148.2 | -169.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 129 | E | 43.6 | Very low | 42.3 | Very low | 182 Ų | 182 | 131.7 Ų | 131.7 | 85% | 0.85 | 76% | 0.761 | S | S | * | * | trans | 169.5 | 106.4 | 139 | -89.5 | 160.9 | -133 | 0 | 0 | 111.4 | ||||
| 130 | V | 49.9 | Very low | 42.1 | Very low | 128 Ų | 128 | 133.4 Ų | 133.4 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | trans | 28.8 | 100 | 153.1 | -164.4 | 0 | 0 | 0 | 0 | 117.8 | C132 | V130-C132 PolarHBondContact O-N 3.37Š| ||
| 131 | P | 41.7 | Very low | 42.3 | Very low | 125 Ų | 125 | 136 Ų | 136 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | trans | -77.9 | 116.5 | -177.9 | -8.9 | 25 | 0 | 0 | 0 | 112.6 | ||||
| 132 | C | 38.3 | Very low | 42.1 | Very low | 124 Ų | 124 | 136.8 Ų | 136.8 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | trans | -134.1 | 76.1 | 162.3 | -151.9 | 0 | 0 | 0 | 0 | 109.8 | V130 | V130-C132 PolarHBondContact O-N 3.37Š| ||
| 133 | S | 42.4 | Very low | 42.6 | Very low | 115 Ų | 115 | 137 Ų | 137 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -114.3 | 79.3 | 173.2 | 59 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 134 | F | 42.8 | Very low | 42.9 | Very low | 146 Ų | 146 | 131.8 Ų | 131.8 | 64% | 0.64 | 76% | 0.757 | S | S | * | * | trans | -79.6 | 141.6 | 156.6 | -174.4 | -100 | 0 | 0 | 0 | 107.4 | ||||
| 135 | D | 41.4 | Very low | 43.9 | Very low | 120 Ų | 120 | 126.7 Ų | 126.7 | 64% | 0.642 | 73% | 0.73 | S | S | * | * | trans | 82.3 | 83.4 | -179.8 | -62.3 | -31.6 | 0 | 0 | 0 | 118.1 | ||||
| 136 | S | 40.7 | Very low | 45.2 | Very low | 121 Ų | 121 | 124.2 Ų | 124.2 | 85% | 0.846 | 72% | 0.717 | S | S | * | * | trans | -159.2 | 61 | 150.9 | -73.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 137 | I | 51.8 | Low | 46.6 | Very low | 93 Ų | 93 | 121.3 Ų | 121.3 | 48% | 0.477 | 70% | 0.701 | S | S | . | * | trans | -146.9 | 128.8 | 169.7 | -52.3 | 173.5 | 0 | 0 | 0 | 110.8 | R143 | I137-R143 HydrophobicContact CD1-CG 4.13Å; I137-R143 VanDerWaalsContact CD1-NH1 3.26Å | ||
| 138 | P | 38.1 | Very low | 48.1 | Very low | 113 Ų | 113 | 119.1 Ų | 119.1 | 73% | 0.734 | 69% | 0.688 | S | S | * | * | trans | -68.9 | 149.6 | -179.1 | 30.1 | -35.2 | 0 | 0 | 0 | 112.4 | N140 | P138-N140 PolarHBondContact O-N 3.44Š| ||
| 139 | A | 39.2 | Very low | 50.3 | Low | 112 Ų | 112 | 121 Ų | 121 | 93% | 0.926 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -73.1 | 78.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 140 | N | 43 | Very low | 52.4 | Low | 134 Ų | 134 | 118.6 Ų | 118.6 | 72% | 0.717 | 67% | 0.67 | S | S | * | * | trans | -158.9 | 125.9 | 159.7 | -165.3 | -5.5 | 0 | 0 | 0 | 111.1 | P138 | P138-N140 PolarHBondContact O-N 3.44Š| ||
| 141 | Q | 44.1 | Very low | 54.4 | Low | 155 Ų | 155 | 114.4 Ų | 114.4 | 72% | 0.724 | 65% | 0.653 | S | S | * | * | S | Bend | trans | 60.6 | 119.9 | 170.3 | -88.5 | 170 | 29 | 0 | 0 | 119.1 | R143 | Q141-R143 VanDerWaalsContact C-N 3.35Å; Q141-R143 PolarHBondContact O-N 2.89Å |
| 142 | T | 49.3 | Very low | 56.8 | Low | 139 Ų | 139 | 115.4 Ų | 115.4 | 85% | 0.853 | 64% | 0.641 | S | S | * | * | S | Bend | trans | 61.9 | -2.5 | 151.8 | 59.1 | 0 | 0 | 0 | 0 | 121.4 | ||
| 143 | R | 46.2 | Very low | 59.2 | Low | 158 Ų | 158 | 114.5 Ų | 114.5 | 60% | 0.596 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | -8.6 | -173.6 | -143.6 | 159.8 | 175.3 | -144.6 | 5.6 | 117.3 | I137 Q141 G145 A146 | I137-R143 HydrophobicContact CD1-CG 4.13Å; I137-R143 VanDerWaalsContact CD1-NH1 3.26Å; Q141-R143 VanDerWaalsContact C-N 3.35Å; Q141-R143 PolarHBondContact O-N 2.89Å; R143-G145 PolarHBondContact O-N 3.49Å; R143-G145 VanDerWaalsContact O-N 3.1Å; R143-A146 PolarHBondContact O-N 3.4Å |
| 144 | T | 52.1 | Low | 61.6 | Low | 127 Ų | 127 | 112.6 Ų | 112.6 | 78% | 0.779 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -58.6 | -25.7 | 173.3 | 56.2 | 0 | 0 | 0 | 0 | 111.9 | A146 | T144-A146 VanDerWaalsContact C-N 3.33Å; T144-A146 PolarHBondContact O-N 2.89Å |
| 145 | G | 57.1 | Low | 63.9 | Low | 21 Ų | 21 | 110.6 Ų | 110.6 | 22% | 0.216 | 60% | 0.603 | C | S | . | * | H | α-helix | trans | -65.3 | -19.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | R143 W148 R149 | R143-G145 PolarHBondContact O-N 3.49Å; R143-G145 VanDerWaalsContact O-N 3.1Å; G145-W148 VanDerWaalsContact CA-CD1 3.4Å; G145-W148 PolarHBondContact O-NE1 3.5Å; G145-R149 WeakPolarHBondContact O-CD 3.46Å; G145-R149 WeakPolarHBondContact O-CG 3.47Å; G145-R149 PolarHBondContact O-NE 3.36Å |
| 146 | A | 65.1 | Low | 66.1 | Low | 60 Ų | 60 | 109 Ų | 109 | 50% | 0.496 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -98.6 | -38.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R143 T144 R149 Q150 | R143-A146 PolarHBondContact O-N 3.4Å; T144-A146 VanDerWaalsContact C-N 3.33Å; T144-A146 PolarHBondContact O-N 2.89Å; A146-R149 PolarHBondContact O-N 2.84Å; A146-Q150 PolarHBondContact O-N 3.01Å; A146-Q150 VanDerWaalsContact O-N 3.1Å |
| 147 | C | 72.3 | Confident | 68.4 | Low | 66 Ų | 66 | 108 Ų | 108 | 45% | 0.446 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.1 | -44.7 | -179 | -172.8 | 0 | 0 | 0 | 0 | 112.5 | R149 Q150 G151 | C147-R149 VanDerWaalsContact C-N 3.33Å; C147-R149 PolarHBondContact O-N 3.02Å; C147-Q150 PolarHBondContact O-N 3.44Å; C147-G151 PolarHBondContact O-N 2.87Å |
| 148 | W | 72.3 | Confident | 70.5 | Confident | 141 Ų | 141 | 108.9 Ų | 108.9 | 53% | 0.534 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68.1 | -31 | 176.7 | 78.3 | -59.8 | 0 | 0 | 0 | 112.6 | G145 R152 | G145-W148 VanDerWaalsContact CA-CD1 3.4Å; G145-W148 PolarHBondContact O-NE1 3.5Å; W148-R152 WeakPolarHBondContact O-CB 3.32Å; W148-R152 PolarHBondContact O-N 3.34Å |
| 149 | R | 86.1 | Confident | 72.9 | Confident | 161 Ų | 161 | 105.7 Ų | 105.7 | 61% | 0.608 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.7 | -46 | 174.2 | -75.4 | 180 | -154 | -141.2 | 3.9 | 110.5 | G145 A146 C147 R152 L153 | G145-R149 WeakPolarHBondContact O-CD 3.46Å; G145-R149 WeakPolarHBondContact O-CG 3.47Å; G145-R149 PolarHBondContact O-NE 3.36Å; A146-R149 PolarHBondContact O-N 2.84Å; C147-R149 VanDerWaalsContact C-N 3.33Å; C147-R149 PolarHBondContact O-N 3.02Å; R149-R152 PolarHBondContact O-N 3.5Å; R149-L153 WeakPolarHBondContact O-CG 3.33Å; R149-L153 PolarHBondContact O-N 2.91Å |
| 150 | Q | 87.3 | Confident | 75.2 | Confident | 131 Ų | 131 | 106.8 Ų | 106.8 | 61% | 0.612 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.6 | -46.5 | 176.4 | -172.5 | 65 | 6 | 0 | 0 | 111.8 | A146 C147 R152 L153 L154 | A146-Q150 PolarHBondContact O-N 3.01Å; A146-Q150 VanDerWaalsContact O-N 3.1Å; C147-Q150 PolarHBondContact O-N 3.44Å; Q150-R152 VanDerWaalsContact C-N 3.28Å; Q150-R152 PolarHBondContact O-N 2.81Å; Q150-L153 PolarHBondContact O-N 2.87Å; Q150-L154 PolarHBondContact O-N 3.28Å |
| 151 | G | 92.2 | Very high | 77.5 | Confident | 41 Ų | 41 | 106.4 Ų | 106.4 | 42% | 0.423 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.4 | -37.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | C147 L155 | C147-G151 PolarHBondContact O-N 2.87Å; G151-L155 WeakPolarHBondContact O-CB 3.44Å; G151-L155 PolarHBondContact O-N 3.37Å |
| 152 | R | 90.4 | Very high | 79.4 | Confident | 146 Ų | 146 | 105 Ų | 105 | 55% | 0.551 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68.7 | -38.6 | 176.3 | -172.1 | 177.9 | -176.7 | -177.5 | 0.4 | 112.4 | W148 R149 Q150 K156 | W148-R152 WeakPolarHBondContact O-CB 3.32Å; W148-R152 PolarHBondContact O-N 3.34Å; R149-R152 PolarHBondContact O-N 3.5Å; Q150-R152 VanDerWaalsContact C-N 3.28Å; Q150-R152 PolarHBondContact O-N 2.81Å; R152-K156 WeakPolarHBondContact O-CG 3.47Å; R152-K156 PolarHBondContact O-N 3.37Å |
| 153 | L | 89.1 | Confident | 81.1 | Confident | 105 Ų | 105 | 100.3 Ų | 100.3 | 55% | 0.55 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.1 | -43.5 | 174.8 | -74.1 | 172.4 | 0 | 0 | 0 | 111.5 | R149 Q150 L155 K156 Q157 | R149-L153 WeakPolarHBondContact O-CG 3.33Å; R149-L153 PolarHBondContact O-N 2.91Å; Q150-L153 PolarHBondContact O-N 2.87Å; L153-L155 VanDerWaalsContact C-N 3.34Å; L153-L155 PolarHBondContact O-N 2.92Å; L153-K156 WeakPolarHBondContact O-CB 3.45Å; L153-K156 PolarHBondContact O-N 3.38Å; L153-K156 VanDerWaalsContact O-N 3.16Å; L153-Q157 PolarHBondContact O-N 3.32Å |
| 154 | L | 92.9 | Very high | 82.9 | Confident | 74 Ų | 74 | 97.1 Ų | 97.1 | 39% | 0.387 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 175.8 | -177 | 63.7 | 0 | 0 | 0 | 111.7 | Q150 K156 Q157 Y158 | Q150-L154 PolarHBondContact O-N 3.28Å; L154-K156 VanDerWaalsContact C-N 3.3Å; L154-K156 PolarHBondContact O-N 3.4Å; L154-Q157 WeakPolarHBondContact O-CB 3.48Å; L154-Q157 PolarHBondContact O-N 3.2Å; L154-Y158 HydrophobicContact CD1-CD2 4.26Å; L154-Y158 HydrophobicContact CD1-CE2 3.7Å; L154-Y158 HydrophobicContact CD2-CE2 4Å; L154-Y158 HydrophobicContact CG-CD2 3.99Å; L154-Y158 HydrophobicContact CG-CE2 3.59Å; L154-Y158 WeakPolarHBondContact O-CD2 3.37Å; L154-Y158 PolarHBondContact O-N 3.4Å |
| 155 | L | 92.3 | Very high | 84.6 | Confident | 104 Ų | 104 | 93.6 Ų | 93.6 | 55% | 0.545 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.8 | -39 | 174.4 | -177.2 | 62.8 | 0 | 0 | 0 | 111.7 | G151 L153 Y158 L159 | G151-L155 WeakPolarHBondContact O-CB 3.44Å; G151-L155 PolarHBondContact O-N 3.37Å; L153-L155 VanDerWaalsContact C-N 3.34Å; L153-L155 PolarHBondContact O-N 2.92Å; L155-Y158 PolarHBondContact O-N 3.5Å; L155-L159 HydrophobicContact CD1-CD1 4.37Å; L155-L159 HydrophobicContact CD1-CG 4.44Å; L155-L159 HydrophobicContact CG-CD1 4.03Å; L155-L159 WeakPolarHBondContact O-CB 3.45Å; L155-L159 VanDerWaalsContact O-CG 3.29Å; L155-L159 WeakPolarHBondContact O-CG 3.27Å; L155-L159 PolarHBondContact O-N 3.45Å |
| 156 | K | 86.8 | Confident | 85.9 | Confident | 87 Ų | 87 | 97.2 Ų | 97.2 | 38% | 0.378 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.3 | -45.7 | 173.1 | -81.2 | -176.2 | 163.6 | -121.7 | 0 | 111.6 | R152 L153 L154 L159 E160 D166 | R152-K156 WeakPolarHBondContact O-CG 3.47Å; R152-K156 PolarHBondContact O-N 3.37Å; L153-K156 WeakPolarHBondContact O-CB 3.45Å; L153-K156 PolarHBondContact O-N 3.38Å; L153-K156 VanDerWaalsContact O-N 3.16Å; L154-K156 VanDerWaalsContact C-N 3.3Å; L154-K156 PolarHBondContact O-N 3.4Å; K156-L159 PolarHBondContact O-N 2.95Å; K156-E160 WeakPolarHBondContact O-CB 3.41Å; K156-E160 PolarHBondContact O-N 3.15Å; K156-D166 IonicContact NZ-OD1 3.5Å; K156-D166 PolarHBondContact NZ-OD1 3.22Å |
| 157 | Q | 89.5 | Confident | 86.8 | Confident | 99 Ų | 99 | 98.8 Ų | 98.8 | 46% | 0.463 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.4 | -46.7 | 177.1 | -177.1 | -176.6 | -22.1 | 0 | 0 | 111.8 | L153 L154 L159 E160 E161 | L153-Q157 PolarHBondContact O-N 3.32Å; L154-Q157 WeakPolarHBondContact O-CB 3.48Å; L154-Q157 PolarHBondContact O-N 3.2Å; Q157-L159 PolarHBondContact O-N 3.4Å; Q157-E160 WeakPolarHBondContact O-CB 3.21Å; Q157-E160 PolarHBondContact O-N 3.49Å; Q157-E161 PolarHBondContact NE2-OE1 3.36Å; Q157-E161 WeakPolarHBondContact O-CG 3.41Å; Q157-E161 PolarHBondContact O-N 3Å |
| 158 | Y | 94.3 | Very high | 87.5 | Confident | 112 Ų | 112 | 98.8 Ų | 98.8 | 44% | 0.439 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.6 | -37.7 | 177.7 | -72.7 | -45.5 | 0 | 0 | 0 | 113 | L154 L155 E160 E161 I162 | L154-Y158 HydrophobicContact CD1-CD2 4.26Å; L154-Y158 HydrophobicContact CD1-CE2 3.7Å; L154-Y158 HydrophobicContact CD2-CE2 4Å; L154-Y158 HydrophobicContact CG-CD2 3.99Å; L154-Y158 HydrophobicContact CG-CE2 3.59Å; L154-Y158 WeakPolarHBondContact O-CD2 3.37Å; L154-Y158 PolarHBondContact O-N 3.4Å; L155-Y158 PolarHBondContact O-N 3.5Å; Y158-E160 VanDerWaalsContact C-N 3.31Å; Y158-E161 PolarHBondContact O-N 3.04Å; Y158-I162 VanDerWaalsContact O-CD1 3.31Å; Y158-I162 WeakPolarHBondContact O-CD1 3.21Å; Y158-I162 WeakPolarHBondContact O-CG1 3.32Å; Y158-I162 PolarHBondContact O-N 3.23Å; Y158-I162 VanDerWaalsContact O-N 3.13Å |
| 159 | L | 89.2 | Confident | 88.1 | Confident | 46 Ų | 46 | 94.5 Ų | 94.5 | 24% | 0.241 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -63.7 | -40.6 | 174.2 | -75.4 | 168 | 0 | 0 | 0 | 110.7 | L155 K156 Q157 I162 G163 Y164 L169 | L155-L159 HydrophobicContact CD1-CD1 4.37Å; L155-L159 HydrophobicContact CD1-CG 4.44Å; L155-L159 HydrophobicContact CG-CD1 4.03Å; L155-L159 WeakPolarHBondContact O-CB 3.45Å; L155-L159 VanDerWaalsContact O-CG 3.29Å; L155-L159 WeakPolarHBondContact O-CG 3.27Å; L155-L159 PolarHBondContact O-N 3.45Å; K156-L159 PolarHBondContact O-N 2.95Å; Q157-L159 PolarHBondContact O-N 3.4Å; L159-I162 PolarHBondContact O-N 3.36Å; L159-G163 PolarHBondContact O-N 3.3Å; L159-Y164 CarbonylContact C-O 3.58Å; L159-Y164 HydrophobicContact CD2-CD2 4.34Å; L159-Y164 HydrophobicContact CD2-CG 4.36Å; L159-Y164 CarbonylContact O-C 3.49Å; L159-Y164 VanDerWaalsContact O-CA 3.29Å; L159-Y164 WeakPolarHBondContact O-CA 3.36Å; L159-Y164 WeakPolarHBondContact O-CB 3.37Å; L159-Y164 PolarHBondContact O-N 2.93Å; L159-L169 HydrophobicContact CD1-CD1 4.15Å; L159-L169 HydrophobicContact CD1-CD2 4.45Å |
| 160 | E | 88.7 | Confident | 88.1 | Confident | 135 Ų | 135 | 91.7 Ų | 91.7 | 63% | 0.631 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -63.1 | -46.2 | 174.7 | -171.2 | 175.4 | -175.2 | 0 | 0 | 112.3 | K156 Q157 Y158 I162 G163 | K156-E160 WeakPolarHBondContact O-CB 3.41Å; K156-E160 PolarHBondContact O-N 3.15Å; Q157-E160 WeakPolarHBondContact O-CB 3.21Å; Q157-E160 PolarHBondContact O-N 3.49Å; Y158-E160 VanDerWaalsContact C-N 3.31Å; E160-I162 VanDerWaalsContact C-N 3.26Å; E160-I162 PolarHBondContact O-N 2.83Å; E160-G163 PolarHBondContact O-N 2.94Å |
| 161 | E | 89.6 | Confident | 88.2 | Confident | 127 Ų | 127 | 89.3 Ų | 89.3 | 59% | 0.593 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -60.7 | -30.8 | 177.5 | -75.5 | 175.2 | -167.1 | 0 | 0 | 113.2 | Q157 Y158 G163 | Q157-E161 PolarHBondContact NE2-OE1 3.36Å; Q157-E161 WeakPolarHBondContact O-CG 3.41Å; Q157-E161 PolarHBondContact O-N 3Å; Y158-E161 PolarHBondContact O-N 3.04Å; E161-G163 VanDerWaalsContact C-N 3.29Å |
| 162 | I | 83.8 | Confident | 87.9 | Confident | 125 Ų | 125 | 92.1 Ų | 92.1 | 64% | 0.641 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -3 | 177.6 | -58.2 | 163 | 0 | 0 | 0 | 111.5 | Y158 L159 E160 Y164 | Y158-I162 VanDerWaalsContact O-CD1 3.31Å; Y158-I162 WeakPolarHBondContact O-CD1 3.21Å; Y158-I162 WeakPolarHBondContact O-CG1 3.32Å; Y158-I162 PolarHBondContact O-N 3.23Å; Y158-I162 VanDerWaalsContact O-N 3.13Å; L159-I162 PolarHBondContact O-N 3.36Å; E160-I162 VanDerWaalsContact C-N 3.26Å; E160-I162 PolarHBondContact O-N 2.83Å; I162-Y164 HydrophobicContact CG2-CD2 4.1Å; I162-Y164 HydrophobicContact CG2-CE2 4.31Å |
| 163 | G | 85.2 | Confident | 87.8 | Confident | 41 Ų | 41 | 88 Ų | 88 | 42% | 0.423 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.5 | 16 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L159 E160 E161 T165 I168 | L159-G163 PolarHBondContact O-N 3.3Å; E160-G163 PolarHBondContact O-N 2.94Å; E161-G163 VanDerWaalsContact C-N 3.29Å; G163-T165 PolarHBondContact O-N 3.1Å; G163-I168 WeakPolarHBondContact O-CD1 3.46Å |
| 164 | Y | 85.5 | Confident | 87.7 | Confident | 90 Ų | 90 | 87 Ų | 87 | 35% | 0.353 | 45% | 0.445 | S | S | . | . | trans | -92 | 71.3 | 169.2 | -77.6 | -68.3 | 0 | 0 | 0 | 111.1 | L159 I162 I168 K172 | L159-Y164 CarbonylContact C-O 3.58Å; L159-Y164 HydrophobicContact CD2-CD2 4.34Å; L159-Y164 HydrophobicContact CD2-CG 4.36Å; L159-Y164 CarbonylContact O-C 3.49Å; L159-Y164 VanDerWaalsContact O-CA 3.29Å; L159-Y164 WeakPolarHBondContact O-CA 3.36Å; L159-Y164 WeakPolarHBondContact O-CB 3.37Å; L159-Y164 PolarHBondContact O-N 2.93Å; I162-Y164 HydrophobicContact CG2-CD2 4.1Å; I162-Y164 HydrophobicContact CG2-CE2 4.31Å; Y164-I168 HydrophobicContact CD1-CB 4.42Å; Y164-I168 HydrophobicContact CD1-CG2 3.63Å; Y164-I168 HydrophobicContact CE1-CG2 3.93Å; Y164-K172 HydrophobicContact CE1-CD 4.34Å; Y164-K172 VanDerWaalsContact CZ-NZ 3.32Å; Y164-K172 PolarHBondContact OH-NZ 3.31Å; Y164-K172 VanDerWaalsContact OH-NZ 3.09Å | ||
| 165 | T | 86.7 | Confident | 87.5 | Confident | 54 Ų | 54 | 90.4 Ų | 90.4 | 33% | 0.331 | 45% | 0.453 | S | S | . | . | trans | -63.9 | 161.1 | 175.4 | 54 | 0 | 0 | 0 | 0 | 112.2 | G163 T167 I168 L169 | G163-T165 PolarHBondContact O-N 3.1Å; T165-T167 PolarHBondContact O-N 2.83Å; T165-T167 PolarHBondContact OG1-OG1 3.29Å; T165-I168 PolarHBondContact O-N 3.41Å; T165-L169 PolarHBondContact O-N 2.91Å; T165-L169 VanDerWaalsContact O-N 3.09Å | ||
| 166 | D | 83.8 | Confident | 87.4 | Confident | 96 Ų | 96 | 90.3 Ų | 90.3 | 51% | 0.513 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -50.5 | -35.4 | 177.4 | -75.4 | -37.7 | 0 | 0 | 0 | 111.7 | K156 I168 L169 D170 | K156-D166 IonicContact NZ-OD1 3.5Å; K156-D166 PolarHBondContact NZ-OD1 3.22Å; D166-I168 PolarHBondContact O-N 3.02Å; D166-L169 PolarHBondContact O-N 3.01Å; D166-D170 WeakPolarHBondContact O-CB 3.33Å; D166-D170 VanDerWaalsContact O-CG 3.22Å; D166-D170 PolarHBondContact O-N 2.84Å |
| 167 | T | 84.7 | Confident | 87.4 | Confident | 93 Ų | 93 | 91.8 Ų | 91.8 | 57% | 0.571 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -60.7 | -43.6 | 175.3 | 52.2 | 0 | 0 | 0 | 0 | 113.9 | T165 D170 V171 | T165-T167 PolarHBondContact O-N 2.83Å; T165-T167 PolarHBondContact OG1-OG1 3.29Å; T167-D170 PolarHBondContact O-N 3.4Å; T167-V171 VanDerWaalsContact O-CG2 3.32Å; T167-V171 WeakPolarHBondContact O-CG2 3.49Å; T167-V171 PolarHBondContact O-N 2.94Å |
| 168 | I | 86.3 | Confident | 87.2 | Confident | 66 Ų | 66 | 89.5 Ų | 89.5 | 34% | 0.338 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -73.9 | -37.3 | -179.8 | -64.7 | 162.8 | 0 | 0 | 0 | 109.9 | G163 Y164 T165 D166 D170 V171 K172 | G163-I168 WeakPolarHBondContact O-CD1 3.46Å; Y164-I168 HydrophobicContact CD1-CB 4.42Å; Y164-I168 HydrophobicContact CD1-CG2 3.63Å; Y164-I168 HydrophobicContact CE1-CG2 3.93Å; T165-I168 PolarHBondContact O-N 3.41Å; D166-I168 PolarHBondContact O-N 3.02Å; I168-D170 VanDerWaalsContact C-N 3.32Å; I168-V171 PolarHBondContact O-N 3.48Å; I168-K172 HydrophobicContact CG2-CD 4.36Å; I168-K172 HydrophobicContact CG2-CG 4.49Å; I168-K172 WeakPolarHBondContact O-CB 3.3Å; I168-K172 WeakPolarHBondContact O-CG 3.45Å; I168-K172 PolarHBondContact O-N 2.81Å |
| 169 | L | 84.8 | Confident | 86.9 | Confident | 51 Ų | 51 | 90.7 Ų | 90.7 | 27% | 0.267 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.5 | -40.7 | 173.2 | -68.9 | 171.9 | 0 | 0 | 0 | 111 | L159 T165 D166 K172 T173 | L159-L169 HydrophobicContact CD1-CD1 4.15Å; L159-L169 HydrophobicContact CD1-CD2 4.45Å; T165-L169 PolarHBondContact O-N 2.91Å; T165-L169 VanDerWaalsContact O-N 3.09Å; D166-L169 PolarHBondContact O-N 3.01Å; L169-K172 PolarHBondContact O-N 3.4Å; L169-T173 WeakPolarHBondContact O-CB 3.45Å; L169-T173 WeakPolarHBondContact O-CG2 3.11Å; L169-T173 PolarHBondContact O-N 3.48Å; L169-T173 PolarHBondContact O-OG1 3.3Å; L169-T173 VanDerWaalsContact O-OG1 3.11Å |
| 170 | D | 87.3 | Confident | 86.7 | Confident | 102 Ų | 102 | 93.7 Ų | 93.7 | 55% | 0.545 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.5 | -46.6 | 175.8 | -75.6 | -21.1 | 0 | 0 | 0 | 111.9 | D166 T167 I168 K172 T173 H174 | D166-D170 WeakPolarHBondContact O-CB 3.33Å; D166-D170 VanDerWaalsContact O-CG 3.22Å; D166-D170 PolarHBondContact O-N 2.84Å; T167-D170 PolarHBondContact O-N 3.4Å; I168-D170 VanDerWaalsContact C-N 3.32Å; D170-K172 VanDerWaalsContact C-N 3.32Å; D170-K172 PolarHBondContact O-N 3.02Å; D170-T173 WeakPolarHBondContact CA-OG1 3.22Å; D170-T173 PolarHBondContact O-N 3.36Å; D170-T173 PolarHBondContact O-OG1 2.97Å; D170-H174 WeakPolarHBondContact O-CB 3.22Å; D170-H174 PolarHBondContact O-N 3Å |
| 171 | V | 89.3 | Confident | 86.2 | Confident | 82 Ų | 82 | 90.2 Ų | 90.2 | 50% | 0.497 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.5 | -43.6 | 174.8 | 172.5 | 0 | 0 | 0 | 0 | 111 | T167 I168 H174 R175 | T167-V171 VanDerWaalsContact O-CG2 3.32Å; T167-V171 WeakPolarHBondContact O-CG2 3.49Å; T167-V171 PolarHBondContact O-N 2.94Å; I168-V171 PolarHBondContact O-N 3.48Å; V171-H174 PolarHBondContact O-N 2.65Å; V171-R175 WeakPolarHBondContact O-CB 3.18Å; V171-R175 PolarHBondContact O-N 3.5Å |
| 172 | K | 86.2 | Confident | 85.5 | Confident | 100 Ų | 100 | 89.5 Ų | 89.5 | 44% | 0.435 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.9 | -43.9 | 177.2 | -77.8 | -174.5 | 172.4 | -169.3 | 0 | 112.3 | Y164 I168 L169 D170 H174 R175 L176 | Y164-K172 HydrophobicContact CE1-CD 4.34Å; Y164-K172 VanDerWaalsContact CZ-NZ 3.32Å; Y164-K172 PolarHBondContact OH-NZ 3.31Å; Y164-K172 VanDerWaalsContact OH-NZ 3.09Å; I168-K172 HydrophobicContact CG2-CD 4.36Å; I168-K172 HydrophobicContact CG2-CG 4.49Å; I168-K172 WeakPolarHBondContact O-CB 3.3Å; I168-K172 WeakPolarHBondContact O-CG 3.45Å; I168-K172 PolarHBondContact O-N 2.81Å; L169-K172 PolarHBondContact O-N 3.4Å; D170-K172 VanDerWaalsContact C-N 3.32Å; D170-K172 PolarHBondContact O-N 3.02Å; K172-H174 VanDerWaalsContact C-N 3.34Å; K172-R175 PolarHBondContact O-N 3.3Å; K172-L176 WeakPolarHBondContact O-CB 3.5Å; K172-L176 PolarHBondContact O-N 2.9Å |
| 173 | T | 87.5 | Confident | 84.6 | Confident | 58 Ų | 58 | 88 Ų | 88 | 36% | 0.356 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -70.2 | -32 | 178.7 | 60.6 | 0 | 0 | 0 | 0 | 112 | L169 D170 R177 | L169-T173 WeakPolarHBondContact O-CB 3.45Å; L169-T173 WeakPolarHBondContact O-CG2 3.11Å; L169-T173 PolarHBondContact O-N 3.48Å; L169-T173 PolarHBondContact O-OG1 3.3Å; L169-T173 VanDerWaalsContact O-OG1 3.11Å; D170-T173 WeakPolarHBondContact CA-OG1 3.22Å; D170-T173 PolarHBondContact O-N 3.36Å; D170-T173 PolarHBondContact O-OG1 2.97Å; T173-R177 WeakPolarHBondContact O-CB 3.3Å; T173-R177 WeakPolarHBondContact O-CG 3.49Å; T173-R177 PolarHBondContact O-N 3.24Å; T173-R177 PolarHBondContact O-NE 3.01Å; T173-R177 PolarHBondContact OG1-NH2 3.47Å |
| 174 | H | 87.6 | Confident | 83.2 | Confident | 86 Ų | 86 | 90.2 Ų | 90.2 | 40% | 0.398 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.2 | -45.7 | 172 | -179.8 | 66.7 | 0 | 0 | 0 | 111.4 | D170 V171 K172 R177 S178 | D170-H174 WeakPolarHBondContact O-CB 3.22Å; D170-H174 PolarHBondContact O-N 3Å; V171-H174 PolarHBondContact O-N 2.65Å; K172-H174 VanDerWaalsContact C-N 3.34Å; H174-R177 PolarHBondContact O-N 2.92Å; H174-S178 WeakPolarHBondContact O-CB 3.39Å; H174-S178 PolarHBondContact O-N 3.13Å; H174-S178 PolarHBondContact O-OG 3.46Å |
| 175 | R | 88.2 | Confident | 81.4 | Confident | 145 Ų | 145 | 92.2 Ų | 92.2 | 55% | 0.547 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.7 | -44.2 | 173.9 | -175.6 | 177.1 | 178.9 | -179.4 | -0.1 | 111.7 | V171 K172 S178 L179 | V171-R175 WeakPolarHBondContact O-CB 3.18Å; V171-R175 PolarHBondContact O-N 3.5Å; K172-R175 PolarHBondContact O-N 3.3Å; R175-S178 PolarHBondContact O-N 3.17Å; R175-L179 HydrophobicContact CG-CD1 4.08Å; R175-L179 HydrophobicContact CG-CG 4.5Å; R175-L179 WeakPolarHBondContact O-CB 3.3Å; R175-L179 WeakPolarHBondContact O-CG 3.38Å; R175-L179 PolarHBondContact O-N 2.82Å |
| 176 | L | 89.7 | Confident | 79.7 | Confident | 102 Ų | 102 | 95.4 Ų | 95.4 | 53% | 0.534 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.5 | -41.6 | 177 | -177.3 | 146.2 | 0 | 0 | 0 | 111.3 | K172 L179 L180 | K172-L176 WeakPolarHBondContact O-CB 3.5Å; K172-L176 PolarHBondContact O-N 2.9Å; L176-L179 PolarHBondContact O-N 2.92Å; L176-L180 HydrophobicContact CD2-CD1 3.41Å; L176-L180 VanDerWaalsContact CD2-CD1 3.41Å; L176-L180 HydrophobicContact CD2-CG 4.47Å; L176-L180 HydrophobicContact CG-CD1 3.96Å; L176-L180 VanDerWaalsContact O-CB 3.3Å; L176-L180 WeakPolarHBondContact O-CB 3.32Å; L176-L180 VanDerWaalsContact O-CG 3.22Å; L176-L180 WeakPolarHBondContact O-CG 3.47Å; L176-L180 PolarHBondContact O-N 3.21Å |
| 177 | R | 88 | Confident | 78.3 | Confident | 117 Ų | 117 | 95.8 Ų | 95.8 | 44% | 0.442 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 171.3 | -85.6 | -179.1 | -80.9 | -169.8 | -5 | 112.5 | T173 H174 L180 G181 L182 | T173-R177 WeakPolarHBondContact O-CB 3.3Å; T173-R177 WeakPolarHBondContact O-CG 3.49Å; T173-R177 PolarHBondContact O-N 3.24Å; T173-R177 PolarHBondContact O-NE 3.01Å; T173-R177 PolarHBondContact OG1-NH2 3.47Å; H174-R177 PolarHBondContact O-N 2.92Å; R177-L180 CarbonylContact O-C 3.53Å; R177-L180 PolarHBondContact O-N 2.99Å; R177-G181 PolarHBondContact O-N 3.34Å; R177-L182 HydrophobicContact CB-CB 4.45Å; R177-L182 HydrophobicContact CG-CB 4.25Å; R177-L182 PolarHBondContact O-N 3.38Å |
| 178 | S | 85.1 | Confident | 77 | Confident | 51 Ų | 51 | 95.2 Ų | 95.2 | 36% | 0.357 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.5 | -42.9 | 177.7 | -63.8 | 0 | 0 | 0 | 0 | 112.1 | H174 R175 L180 G181 N183 | H174-S178 WeakPolarHBondContact O-CB 3.39Å; H174-S178 PolarHBondContact O-N 3.13Å; H174-S178 PolarHBondContact O-OG 3.46Å; R175-S178 PolarHBondContact O-N 3.17Å; S178-L180 VanDerWaalsContact C-N 3.34Å; S178-G181 PolarHBondContact O-N 2.71Å; S178-N183 PolarHBondContact OG-ND2 3.38Å; S178-N183 PolarHBondContact OG-OD1 3.48Å |
| 179 | L | 88.6 | Confident | 75.5 | Confident | 137 Ų | 137 | 96.7 Ų | 96.7 | 72% | 0.717 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.1 | -36.7 | 175.4 | -75.7 | 168.2 | 0 | 0 | 0 | 112.4 | R175 L176 G181 | R175-L179 HydrophobicContact CG-CD1 4.08Å; R175-L179 HydrophobicContact CG-CG 4.5Å; R175-L179 WeakPolarHBondContact O-CB 3.3Å; R175-L179 WeakPolarHBondContact O-CG 3.38Å; R175-L179 PolarHBondContact O-N 2.82Å; L176-L179 PolarHBondContact O-N 2.92Å; L179-G181 PolarHBondContact O-N 3.47Å |
| 180 | L | 85.1 | Confident | 74.1 | Confident | 109 Ų | 109 | 96.1 Ų | 96.1 | 57% | 0.571 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | 1.2 | 176.2 | -67.3 | 171.1 | 0 | 0 | 0 | 113.1 | L176 R177 S178 L182 | L176-L180 HydrophobicContact CD2-CD1 3.41Å; L176-L180 VanDerWaalsContact CD2-CD1 3.41Å; L176-L180 HydrophobicContact CD2-CG 4.47Å; L176-L180 HydrophobicContact CG-CD1 3.96Å; L176-L180 VanDerWaalsContact O-CB 3.3Å; L176-L180 WeakPolarHBondContact O-CB 3.32Å; L176-L180 VanDerWaalsContact O-CG 3.22Å; L176-L180 WeakPolarHBondContact O-CG 3.47Å; L176-L180 PolarHBondContact O-N 3.21Å; R177-L180 CarbonylContact O-C 3.53Å; R177-L180 PolarHBondContact O-N 2.99Å; S178-L180 VanDerWaalsContact C-N 3.34Å; L180-L182 HydrophobicContact CB-CD1 3.94Å; L180-L182 HydrophobicContact CB-CG 3.88Å; L180-L182 HydrophobicContact CD1-CD1 4.17Å; L180-L182 PolarHBondContact O-N 2.95Å; L180-L182 VanDerWaalsContact O-N 3.17Å |
| 181 | G | 78.3 | Confident | 72.8 | Confident | 63 Ų | 63 | 97.3 Ų | 97.3 | 65% | 0.649 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | 17.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | R177 S178 L179 N183 | R177-G181 PolarHBondContact O-N 3.34Å; S178-G181 PolarHBondContact O-N 2.71Å; L179-G181 PolarHBondContact O-N 3.47Å; G181-N183 PolarHBondContact O-N 3.33Å |
| 182 | L | 73.1 | Confident | 71.6 | Confident | 111 Ų | 111 | 100.2 Ų | 100.2 | 58% | 0.581 | 55% | 0.553 | S | S | * | * | trans | -88.8 | 26.4 | -176.7 | -63.4 | 177.4 | 0 | 0 | 0 | 112.7 | R177 L180 A184 | R177-L182 HydrophobicContact CB-CB 4.45Å; R177-L182 HydrophobicContact CG-CB 4.25Å; R177-L182 PolarHBondContact O-N 3.38Å; L180-L182 HydrophobicContact CB-CD1 3.94Å; L180-L182 HydrophobicContact CB-CG 3.88Å; L180-L182 HydrophobicContact CD1-CD1 4.17Å; L180-L182 PolarHBondContact O-N 2.95Å; L180-L182 VanDerWaalsContact O-N 3.17Å; L182-A184 PolarHBondContact O-N 3.17Å | ||
| 183 | N | 66.5 | Low | 70.5 | Confident | 93 Ų | 93 | 98 Ų | 98 | 50% | 0.497 | 55% | 0.551 | S | S | . | * | trans | -66.6 | 103.7 | 178.2 | -74.8 | -12.7 | 0 | 0 | 0 | 108.9 | S178 G181 V185 | S178-N183 PolarHBondContact OG-ND2 3.38Å; S178-N183 PolarHBondContact OG-OD1 3.48Å; G181-N183 PolarHBondContact O-N 3.33Å; N183-V185 PolarHBondContact O-N 3.48Å | ||
| 184 | A | 56 | Low | 69.3 | Low | 89 Ų | 89 | 99.5 Ų | 99.5 | 74% | 0.736 | 55% | 0.554 | S | S | * | * | trans | -53.7 | 122.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | L182 D186 | L182-A184 PolarHBondContact O-N 3.17Å; A184-D186 PolarHBondContact O-N 3.04Å | ||
| 185 | V | 47.7 | Very low | 68.3 | Low | 132 Ų | 132 | 99.7 Ų | 99.7 | 80% | 0.8 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -23.5 | 108.3 | 162.1 | 148.3 | 0 | 0 | 0 | 0 | 110.6 | N183 | N183-V185 PolarHBondContact O-N 3.48Š|
| 186 | D | 50 | Low | 67.6 | Low | 120 Ų | 120 | 99.7 Ų | 99.7 | 64% | 0.642 | 56% | 0.562 | S | S | * | * | trans | 175.2 | 72.5 | 154.2 | -83.1 | -23.2 | 0 | 0 | 0 | 108.9 | A184 S188 N189 | A184-D186 PolarHBondContact O-N 3.04Å; D186-S188 PolarHBondContact O-N 3.36Å; D186-N189 PolarHBondContact O-N 2.85Å | ||
| 187 | S | 54.5 | Low | 66.4 | Low | 105 Ų | 105 | 98.6 Ų | 98.6 | 73% | 0.734 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -58.1 | -12.1 | -178 | -53.3 | 0 | 0 | 0 | 0 | 114.7 | ||
| 188 | S | 57.5 | Low | 65.3 | Low | 80 Ų | 80 | 93.5 Ų | 93.5 | 56% | 0.559 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -85.6 | -17.8 | -174.5 | 64.4 | 0 | 0 | 0 | 0 | 114.9 | D186 | D186-S188 PolarHBondContact O-N 3.36Å |
| 189 | N | 55.4 | Low | 64.5 | Low | 98 Ų | 98 | 98.7 Ų | 98.7 | 52% | 0.524 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -99.3 | -17.6 | -179.8 | -155.3 | 41 | 0 | 0 | 0 | 113.1 | D186 S193 | D186-N189 PolarHBondContact O-N 2.85Å; N189-S193 PolarHBondContact O-N 2.88Å; N189-S193 PolarHBondContact O-OG 3.43Å |
| 190 | A | 54.7 | Low | 63.4 | Low | 39 Ų | 39 | 98.9 Ų | 98.9 | 32% | 0.322 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.4 | -39.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S193 M194 | A190-S193 PolarHBondContact O-N 2.84Å; A190-M194 WeakPolarHBondContact O-CB 3.39Å; A190-M194 PolarHBondContact O-N 2.88Å |
| 191 | E | 59.8 | Low | 62.4 | Low | 126 Ų | 126 | 98.2 Ų | 98.2 | 59% | 0.589 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.3 | -43.6 | 177.2 | -66.7 | -179.5 | 165.6 | 0 | 0 | 112 | S193 M194 N195 | E191-S193 VanDerWaalsContact C-N 3.29Å; E191-S193 PolarHBondContact O-N 2.98Å; E191-M194 PolarHBondContact O-N 3.43Å; E191-N195 WeakPolarHBondContact O-CB 3.44Å; E191-N195 PolarHBondContact O-N 2.97Å; E191-N195 PolarHBondContact O-ND2 2.95Å; E191-N195 PolarHBondContact O-OD1 3.27Å |
| 192 | K | 64.6 | Low | 61.7 | Low | 143 Ų | 143 | 102.8 Ų | 102.8 | 62% | 0.622 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.8 | -36.6 | 177.2 | -63.9 | 177.4 | -175.4 | 174.6 | 0 | 112.2 | K196 | K192-K196 PolarHBondContact O-N 3.5Å; K192-K196 VanDerWaalsContact O-N 3.15Å |
| 193 | S | 63.3 | Low | 60.9 | Low | 55 Ų | 55 | 100.7 Ų | 100.7 | 39% | 0.385 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -76.1 | -35.2 | 179.3 | -54.4 | 0 | 0 | 0 | 0 | 112.1 | N189 A190 E191 K196 L197 | N189-S193 PolarHBondContact O-N 2.88Å; N189-S193 PolarHBondContact O-OG 3.43Å; A190-S193 PolarHBondContact O-N 2.84Å; E191-S193 VanDerWaalsContact C-N 3.29Å; E191-S193 PolarHBondContact O-N 2.98Å; S193-K196 PolarHBondContact O-N 3.41Å; S193-L197 PolarHBondContact O-N 3.4Å; S193-L197 VanDerWaalsContact O-N 3.11Å |
| 194 | M | 62.8 | Low | 60.4 | Low | 89 Ų | 89 | 98.6 Ų | 98.6 | 44% | 0.438 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.6 | -45.7 | 169.8 | -102.4 | -178.2 | -64.4 | 0 | 0 | 111.7 | A190 E191 K196 L197 A198 | A190-M194 WeakPolarHBondContact O-CB 3.39Å; A190-M194 PolarHBondContact O-N 2.88Å; E191-M194 PolarHBondContact O-N 3.43Å; M194-K196 VanDerWaalsContact C-N 3.3Å; M194-K196 PolarHBondContact O-N 3.4Å; M194-L197 PolarHBondContact O-N 2.88Å; M194-A198 PolarHBondContact O-N 3.1Å |
| 195 | N | 65.8 | Low | 60.3 | Low | 90 Ų | 90 | 100.2 Ų | 100.2 | 48% | 0.481 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.6 | -37.9 | 179.6 | -65.9 | -17.8 | 0 | 0 | 0 | 111.6 | E191 A198 E199 | E191-N195 WeakPolarHBondContact O-CB 3.44Å; E191-N195 PolarHBondContact O-N 2.97Å; E191-N195 PolarHBondContact O-ND2 2.95Å; E191-N195 PolarHBondContact O-OD1 3.27Å; N195-A198 PolarHBondContact O-N 3.36Å; N195-E199 PolarHBondContact O-N 3.21Å; N195-E199 VanDerWaalsContact O-N 3.1Å |
| 196 | K | 73.4 | Confident | 60.7 | Low | 144 Ų | 144 | 99.2 Ų | 99.2 | 63% | 0.626 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -70.4 | -30.2 | 176.2 | -158.5 | 172.9 | -172.7 | -173.2 | 0 | 113.2 | K192 S193 M194 L200 | K192-K196 PolarHBondContact O-N 3.5Å; K192-K196 VanDerWaalsContact O-N 3.15Å; S193-K196 PolarHBondContact O-N 3.41Å; M194-K196 VanDerWaalsContact C-N 3.3Å; M194-K196 PolarHBondContact O-N 3.4Å; K196-L200 WeakPolarHBondContact O-CG 3.49Å; K196-L200 PolarHBondContact O-N 3.17Å |
| 197 | L | 65.1 | Low | 60.9 | Low | 80 Ų | 80 | 94.7 Ų | 94.7 | 42% | 0.419 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -75.4 | -35.9 | 172.6 | -93.6 | 167.2 | 0 | 0 | 0 | 112.5 | S193 M194 E199 L200 L201 | S193-L197 PolarHBondContact O-N 3.4Å; S193-L197 VanDerWaalsContact O-N 3.11Å; M194-L197 PolarHBondContact O-N 2.88Å; L197-E199 VanDerWaalsContact C-N 3.33Å; L197-L200 PolarHBondContact O-N 3.28Å; L197-L201 WeakPolarHBondContact O-CG 3.21Å; L197-L201 PolarHBondContact O-N 3.22Å |
| 198 | A | 64.3 | Low | 61.2 | Low | 9 Ų | 9 | 92.5 Ų | 92.5 | 7% | 0.074 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -62.6 | -41.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | M194 N195 L200 L201 N202 L203 | M194-A198 PolarHBondContact O-N 3.1Å; N195-A198 PolarHBondContact O-N 3.36Å; A198-L200 PolarHBondContact O-N 2.91Å; A198-L201 PolarHBondContact O-N 3.07Å; A198-N202 PolarHBondContact O-N 3.32Å; A198-L203 CarbonylContact C-O 3.52Å; A198-L203 PolarHBondContact O-N 2.97Å; A198-L203 VanDerWaalsContact O-N 3.16Å; A198-L203 VanDerWaalsContact O-O 3.11Å |
| 199 | E | 68.6 | Low | 61.4 | Low | 160 Ų | 160 | 91.5 Ų | 91.5 | 75% | 0.748 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.4 | -36.8 | 177 | -166 | 171.1 | -165.6 | 0 | 0 | 112.9 | N195 L197 L201 | N195-E199 PolarHBondContact O-N 3.21Å; N195-E199 VanDerWaalsContact O-N 3.1Å; L197-E199 VanDerWaalsContact C-N 3.33Å; E199-L201 VanDerWaalsContact C-N 3.33Å; E199-L201 PolarHBondContact O-N 2.92Å |
| 200 | L | 65.3 | Low | 61.6 | Low | 141 Ų | 141 | 90.5 Ų | 90.5 | 74% | 0.738 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -75.2 | -18.3 | 176.8 | -72.9 | 173.2 | 0 | 0 | 0 | 114.2 | K196 L197 A198 | K196-L200 WeakPolarHBondContact O-CG 3.49Å; K196-L200 PolarHBondContact O-N 3.17Å; L197-L200 PolarHBondContact O-N 3.28Å; A198-L200 PolarHBondContact O-N 2.91Å |
| 201 | L | 64.5 | Low | 61.9 | Low | 96 Ų | 96 | 93.6 Ų | 93.6 | 50% | 0.503 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 8.8 | -179 | -67.5 | 173.9 | 0 | 0 | 0 | 113.4 | L197 A198 E199 L203 L212 | L197-L201 WeakPolarHBondContact O-CG 3.21Å; L197-L201 PolarHBondContact O-N 3.22Å; A198-L201 PolarHBondContact O-N 3.07Å; E199-L201 VanDerWaalsContact C-N 3.33Å; E199-L201 PolarHBondContact O-N 2.92Å; L201-L203 HydrophobicContact CB-CD1 3.78Å; L201-L203 HydrophobicContact CB-CG 4.31Å; L201-L203 HydrophobicContact CD1-CD1 4.37Å; L201-L203 PolarHBondContact O-N 3.44Å; L201-L203 VanDerWaalsContact O-N 3.14Å; L201-L212 HydrophobicContact CD1-CD2 4.46Å |
| 202 | N | 62.9 | Low | 61.8 | Low | 159 Ų | 159 | 89.9 Ų | 89.9 | 85% | 0.85 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 30.1 | -176.6 | -160.5 | 55.4 | 0 | 0 | 0 | 113.3 | A198 | A198-N202 PolarHBondContact O-N 3.32Š|
| 203 | L | 55.9 | Low | 61.6 | Low | 66 Ų | 66 | 88.7 Ų | 88.7 | 35% | 0.346 | 51% | 0.509 | S | S | . | . | trans | -103.9 | 129.9 | 177.6 | -72.2 | 158.3 | 0 | 0 | 0 | 107.5 | A198 L201 A207 L212 | A198-L203 CarbonylContact C-O 3.52Å; A198-L203 PolarHBondContact O-N 2.97Å; A198-L203 VanDerWaalsContact O-N 3.16Å; A198-L203 VanDerWaalsContact O-O 3.11Å; L201-L203 HydrophobicContact CB-CD1 3.78Å; L201-L203 HydrophobicContact CB-CG 4.31Å; L201-L203 HydrophobicContact CD1-CD1 4.37Å; L201-L203 PolarHBondContact O-N 3.44Å; L201-L203 VanDerWaalsContact O-N 3.14Å; L203-A207 HydrophobicContact CB-CB 4.4Å; L203-L212 HydrophobicContact CD1-CD2 3.87Å | ||
| 204 | G | 56.7 | Low | 61.5 | Low | 49 Ų | 49 | 89.3 Ų | 89.3 | 51% | 0.505 | 51% | 0.513 | S | S | . | . | trans | -55.4 | 159.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S206 A207 | G204-S206 PolarHBondContact O-N 3.39Å; G204-A207 PolarHBondContact O-N 2.82Å | ||
| 205 | P | 53.3 | Low | 61.4 | Low | 124 Ų | 124 | 89.2 Ų | 89.2 | 81% | 0.805 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | 28.9 | -170.1 | 27.4 | -35 | 0 | 0 | 0 | 115.6 | ||
| 206 | S | 55.6 | Low | 61 | Low | 110 Ų | 110 | 90.7 Ų | 90.7 | 77% | 0.769 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.1 | 15.6 | -177.1 | -173.3 | 0 | 0 | 0 | 0 | 113.3 | G204 S208 | G204-S206 PolarHBondContact O-N 3.39Å; S206-S208 PolarHBondContact O-N 3.49Å; S206-S208 VanDerWaalsContact O-N 3.16Å |
| 207 | A | 55.6 | Low | 60.1 | Low | 25 Ų | 25 | 88 Ų | 88 | 21% | 0.207 | 52% | 0.524 | C | S | . | . | trans | -66.5 | 115.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111 | L203 G204 E211 L212 | L203-A207 HydrophobicContact CB-CB 4.4Å; G204-A207 PolarHBondContact O-N 2.82Å; A207-E211 WeakPolarHBondContact CA-OE2 3.4Å; A207-L212 HydrophobicContact CB-CD2 4.23Å; A207-L212 HydrophobicContact CB-CG 4.37Å | ||
| 208 | S | 61.2 | Low | 59.3 | Low | 59 Ų | 59 | 93 Ų | 93 | 41% | 0.413 | 55% | 0.545 | S | S | . | . | trans | -65.2 | 148.8 | 177 | 171.8 | 0 | 0 | 0 | 0 | 110.3 | S206 S210 E211 L212 | S206-S208 PolarHBondContact O-N 3.49Å; S206-S208 VanDerWaalsContact O-N 3.16Å; S208-S210 WeakPolarHBondContact CB-OG 3.3Å; S208-S210 PolarHBondContact O-N 3.5Å; S208-S210 PolarHBondContact OG-N 2.92Å; S208-S210 PolarHBondContact OG-OG 3.18Å; S208-E211 PolarHBondContact N-OE2 2.88Å; S208-E211 WeakPolarHBondContact O-CB 3.4Å; S208-E211 PolarHBondContact O-N 3.31Å; S208-L212 PolarHBondContact O-N 3.01Å | ||
| 209 | A | 60 | Low | 58.4 | Low | 60 Ų | 60 | 101.8 Ų | 101.8 | 50% | 0.496 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -52 | -29.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I213 | A209-I213 VanDerWaalsContact O-CD1 3.31Å; A209-I213 WeakPolarHBondContact O-CD1 3.39Å; A209-I213 WeakPolarHBondContact O-CG1 3.47Å; A209-I213 PolarHBondContact O-N 3.31Å |
| 210 | S | 60.1 | Low | 56.9 | Low | 76 Ų | 76 | 103.3 Ų | 103.3 | 53% | 0.531 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67.9 | -34.5 | 174.5 | 55.4 | 0 | 0 | 0 | 0 | 113.9 | S208 S214 | S208-S210 WeakPolarHBondContact CB-OG 3.3Å; S208-S210 PolarHBondContact O-N 3.5Å; S208-S210 PolarHBondContact OG-N 2.92Å; S208-S210 PolarHBondContact OG-OG 3.18Å; S210-S214 PolarHBondContact O-N 2.93Å; S210-S214 VanDerWaalsContact O-N 3.15Å; S210-S214 PolarHBondContact O-OG 2.96Å |
| 211 | E | 61.2 | Low | 55.7 | Low | 105 Ų | 105 | 102.9 Ų | 102.9 | 49% | 0.491 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -76.8 | -32.3 | 179.1 | -69.2 | 172.2 | 153.9 | 0 | 0 | 111.8 | A207 S208 I213 S214 T215 | A207-E211 WeakPolarHBondContact CA-OE2 3.4Å; S208-E211 PolarHBondContact N-OE2 2.88Å; S208-E211 WeakPolarHBondContact O-CB 3.4Å; S208-E211 PolarHBondContact O-N 3.31Å; E211-I213 VanDerWaalsContact C-N 3.34Å; E211-S214 WeakPolarHBondContact CA-OG 3.48Å; E211-S214 PolarHBondContact O-OG 3.38Å; E211-T215 WeakPolarHBondContact O-CG2 3.41Å; E211-T215 PolarHBondContact O-N 3.15Å; E211-T215 PolarHBondContact O-OG1 3.38Å |
| 212 | L | 57.3 | Low | 54.6 | Low | 48 Ų | 48 | 101.9 Ų | 101.9 | 25% | 0.251 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -70.6 | -31.1 | 173.8 | -64.5 | 176.3 | 0 | 0 | 0 | 112.2 | L201 L203 A207 S208 T215 | L201-L212 HydrophobicContact CD1-CD2 4.46Å; L203-L212 HydrophobicContact CD1-CD2 3.87Å; A207-L212 HydrophobicContact CB-CD2 4.23Å; A207-L212 HydrophobicContact CB-CG 4.37Å; S208-L212 PolarHBondContact O-N 3.01Å; L212-T215 PolarHBondContact O-OG1 3.17Å |
| 213 | I | 61.7 | Low | 53.6 | Low | 118 Ų | 118 | 102.2 Ų | 102.2 | 61% | 0.605 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -77.4 | -38.4 | 177.4 | -67.2 | 165 | 0 | 0 | 0 | 110.8 | A209 E211 L216 S217 | A209-I213 VanDerWaalsContact O-CD1 3.31Å; A209-I213 WeakPolarHBondContact O-CD1 3.39Å; A209-I213 WeakPolarHBondContact O-CG1 3.47Å; A209-I213 PolarHBondContact O-N 3.31Å; E211-I213 VanDerWaalsContact C-N 3.34Å; I213-L216 PolarHBondContact O-N 2.95Å; I213-S217 WeakPolarHBondContact O-CB 3.45Å; I213-S217 PolarHBondContact O-N 3.46Å; I213-S217 VanDerWaalsContact O-N 3.16Å |
| 214 | S | 60.1 | Low | 52.6 | Low | 68 Ų | 68 | 102.9 Ų | 102.9 | 48% | 0.476 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -68.9 | -39.3 | -180 | 57.3 | 0 | 0 | 0 | 0 | 113 | S210 E211 L216 S217 | S210-S214 PolarHBondContact O-N 2.93Å; S210-S214 VanDerWaalsContact O-N 3.15Å; S210-S214 PolarHBondContact O-OG 2.96Å; E211-S214 WeakPolarHBondContact CA-OG 3.48Å; E211-S214 PolarHBondContact O-OG 3.38Å; S214-L216 VanDerWaalsContact C-N 3.29Å; S214-L216 PolarHBondContact O-N 2.99Å; S214-S217 PolarHBondContact O-N 3.35Å |
| 215 | T | 60.6 | Low | 51.7 | Low | 87 Ų | 87 | 103.5 Ų | 103.5 | 53% | 0.534 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -66.3 | -29.8 | 177 | 49.5 | 0 | 0 | 0 | 0 | 113 | E211 L212 | E211-T215 WeakPolarHBondContact O-CG2 3.41Å; E211-T215 PolarHBondContact O-N 3.15Å; E211-T215 PolarHBondContact O-OG1 3.38Å; L212-T215 PolarHBondContact O-OG1 3.17Å |
| 216 | L | 58.3 | Low | 51.1 | Low | 121 Ų | 121 | 105.6 Ų | 105.6 | 63% | 0.634 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -87.4 | -13.9 | 177.4 | -134.6 | 79.4 | 0 | 0 | 0 | 113.7 | I213 S214 | I213-L216 PolarHBondContact O-N 2.95Å; S214-L216 VanDerWaalsContact C-N 3.29Å; S214-L216 PolarHBondContact O-N 2.99Å |
| 217 | S | 53.5 | Low | 50.2 | Low | 88 Ų | 88 | 104 Ų | 104 | 62% | 0.615 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -103 | 2.3 | -171.6 | -157.6 | 0 | 0 | 0 | 0 | 114.1 | I213 S214 K219 | I213-S217 WeakPolarHBondContact O-CB 3.45Å; I213-S217 PolarHBondContact O-N 3.46Å; I213-S217 VanDerWaalsContact O-N 3.16Å; S214-S217 PolarHBondContact O-N 3.35Å; S217-K219 VanDerWaalsContact C-N 3.28Å; S217-K219 PolarHBondContact O-N 2.8Å; S217-K219 VanDerWaalsContact O-N 3.14Å |
| 218 | Q | 48.3 | Very low | 49.6 | Very low | 183 Ų | 183 | 107 Ų | 107 | 86% | 0.855 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | 55.8 | 177.2 | -151.3 | 178.9 | 14.4 | 0 | 0 | 111.5 | ||
| 219 | K | 45.2 | Very low | 48.7 | Very low | 194 Ų | 194 | 112.9 Ų | 112.9 | 84% | 0.843 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.3 | 14.7 | 168.9 | -160.1 | 160.6 | 174.9 | 176.6 | 0 | 115.6 | S217 | S217-K219 VanDerWaalsContact C-N 3.28Å; S217-K219 PolarHBondContact O-N 2.8Å; S217-K219 VanDerWaalsContact O-N 3.14Å |
| 220 | E | 37.9 | Very low | 47.8 | Very low | 192 Ų | 192 | 115.5 Ų | 115.5 | 90% | 0.897 | 71% | 0.707 | S | S | * | * | trans | -146.5 | 77.5 | 176.5 | -66.6 | -170.7 | 150.3 | 0 | 0 | 111.3 | ||||
| 221 | S | 39.9 | Very low | 47.3 | Very low | 132 Ų | 132 | 123.7 Ų | 123.7 | 92% | 0.923 | 73% | 0.726 | S | S | * | * | trans | -152.2 | 124.9 | 155.5 | 84.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 222 | G | 41 | Very low | 46.2 | Very low | 76 Ų | 76 | 124.9 Ų | 124.9 | 78% | 0.784 | 74% | 0.741 | S | S | * | * | trans | 171.3 | 64.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 223 | N | 41.9 | Very low | 45.7 | Very low | 166 Ų | 166 | 130.5 Ų | 130.5 | 89% | 0.888 | 77% | 0.77 | S | S | * | * | 82.6 | 110.9 | 86 | -164.2 | 47.3 | 0 | 0 | 0 | 112.6 | |||||
| 224 | G | 34.2 | Very low | 44.6 | Very low | 80 Ų | 80 | 133.4 Ų | 133.4 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | -151 | 117.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 225 | G | 38.5 | Very low | 43.9 | Very low | 61 Ų | 61 | 136.6 Ų | 136.6 | 63% | 0.629 | 80% | 0.8 | S | S | * | * | trans | 146.7 | 90.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 226 | D | 40.3 | Very low | 42.9 | Very low | 168 Ų | 168 | 136.9 Ų | 136.9 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | trans | 59.4 | 117.3 | 147.5 | -64.6 | -19.3 | 0 | 0 | 0 | 122.2 | ||||
| 227 | G | 37 | Very low | 42.3 | Very low | 76 Ų | 76 | 140.8 Ų | 140.8 | 78% | 0.784 | 83% | 0.826 | S | S | * | * | 96.2 | 128.3 | 125 | 0 | 0 | 0 | 0 | 0 | 118 | |||||
| 228 | A | 43.5 | Very low | 41.8 | Very low | 89 Ų | 89 | 145.2 Ų | 145.2 | 74% | 0.736 | 84% | 0.839 | S | S | * | * | trans | 77.8 | 104.6 | 149.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 229 | H | 43.2 | Very low | 41.6 | Very low | 183 Ų | 183 | 141.7 Ų | 141.7 | 85% | 0.847 | 84% | 0.835 | S | S | * | * | trans | 72.5 | 107.6 | 136.3 | -63.3 | -74.6 | 0 | 0 | 0 | 121.1 | ||||
| 230 | S | 40.3 | Very low | 41.3 | Very low | 115 Ų | 115 | 139.2 Ų | 139.2 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | trans | 27.3 | 117.7 | 137.9 | -62.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 231 | R | 49.6 | Very low | 41.7 | Very low | 248 Ų | 248 | 138.2 Ų | 138.2 | 94% | 0.936 | 83% | 0.831 | S | S | * | * | -174 | 134.2 | 110.1 | -107.7 | 171.8 | 166.4 | 171 | -4.3 | 113.6 | |||||
| 232 | V | 38 | Very low | 41.9 | Very low | 130 Ų | 130 | 140.9 Ų | 140.9 | 79% | 0.788 | 83% | 0.829 | S | S | * | * | trans | -38.8 | 135.8 | 162.5 | 173.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 233 | L | 46.6 | Very low | 42.1 | Very low | 165 Ų | 165 | 144.8 Ų | 144.8 | 86% | 0.864 | 83% | 0.831 | S | S | * | * | trans | -158.7 | 115 | 136.2 | -101.1 | 173.6 | 0 | 0 | 0 | 110.2 | ||||
| 234 | M | 38 | Very low | 42.6 | Very low | 179 Ų | 179 | 143 Ų | 143 | 88% | 0.882 | 83% | 0.826 | S | S | * | * | trans | -73.5 | 131.4 | 161.6 | -87.5 | -157.7 | 164.8 | 0 | 0 | 109.3 | ||||
| 235 | T | 46.5 | Very low | 43.5 | Very low | 135 Ų | 135 | 146.1 Ų | 146.1 | 83% | 0.828 | 83% | 0.829 | S | S | * | * | trans | -144.7 | 116.1 | 149.3 | 46.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 236 | A | 38.5 | Very low | 43.9 | Very low | 93 Ų | 93 | 148 Ų | 148 | 77% | 0.769 | 84% | 0.839 | S | S | * | * | trans | -72.2 | 139.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 237 | E | 45.8 | Very low | 44.5 | Very low | 204 Ų | 204 | 148.6 Ų | 148.6 | 95% | 0.953 | 83% | 0.834 | S | S | * | * | trans | -145.1 | 136.3 | 143.8 | -79.2 | -150.7 | 146.1 | 0 | 0 | 110.4 | ||||
| 238 | M | 43.2 | Very low | 45.1 | Very low | 181 Ų | 181 | 151.5 Ų | 151.5 | 89% | 0.892 | 84% | 0.837 | S | S | * | * | trans | -79.1 | 142 | -176.1 | -69 | 148.6 | 50.3 | 0 | 0 | 111.1 | ||||
| 239 | S | 45.3 | Very low | 45.6 | Very low | 109 Ų | 109 | 155.4 Ų | 155.4 | 76% | 0.762 | 84% | 0.839 | S | S | * | * | trans | -157.4 | 113.7 | 135.6 | -162.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 240 | V | 38.7 | Very low | 45.8 | Very low | 142 Ų | 142 | 157.7 Ų | 157.7 | 86% | 0.861 | 84% | 0.841 | S | S | * | * | trans | -110.8 | 106.5 | 177.1 | 174.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 241 | Q | 45 | Very low | 46.2 | Very low | 170 Ų | 170 | 157.8 Ų | 157.8 | 79% | 0.794 | 84% | 0.839 | S | S | * | * | trans | -154.5 | 128.4 | 163.4 | -59.8 | -176.3 | 8.8 | 0 | 0 | 103.4 | ||||
| 242 | E | 45.2 | Very low | 45.9 | Very low | 188 Ų | 188 | 154 Ų | 154 | 88% | 0.879 | 84% | 0.837 | S | S | * | * | cis | -148.3 | 152.5 | 34.2 | -70.8 | 174.7 | 118.4 | 0 | 0 | 111 | ||||
| 243 | L | 44.7 | Very low | 46.7 | Very low | 159 Ų | 159 | 153.3 Ų | 153.3 | 83% | 0.832 | 84% | 0.838 | S | S | * | * | trans | -71 | 149.9 | 162.3 | -79.9 | 90.2 | 0 | 0 | 0 | 110.7 | ||||
| 244 | T | 51.7 | Low | 47 | Very low | 128 Ų | 128 | 152.1 Ų | 152.1 | 79% | 0.785 | 84% | 0.837 | S | S | * | * | trans | 138.7 | 108.3 | 131.2 | 58.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 245 | T | 54.1 | Low | 47.4 | Very low | 145 Ų | 145 | 152.5 Ų | 152.5 | 89% | 0.89 | 83% | 0.834 | S | S | * | * | 162.6 | 111 | 124 | 42.5 | 0 | 0 | 0 | 0 | 109 | |||||
| 246 | A | 47.1 | Very low | 47.5 | Very low | 102 Ų | 102 | 151.2 Ų | 151.2 | 84% | 0.843 | 83% | 0.831 | S | S | * | * | trans | -81.7 | 140.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 247 | K | 52.9 | Low | 48.4 | Very low | 180 Ų | 180 | 152.6 Ų | 152.6 | 78% | 0.783 | 83% | 0.829 | S | S | * | * | trans | -160.7 | 100.2 | 147.5 | -133 | 171.5 | -179 | -179.9 | 0 | 110.6 | ||||
| 248 | T | 48.7 | Very low | 48.8 | Very low | 137 Ų | 137 | 150.7 Ų | 150.7 | 84% | 0.84 | 83% | 0.825 | S | S | * | * | trans | -120 | 101.6 | 163.8 | -52.4 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 249 | E | 53.9 | Low | 49.4 | Very low | 170 Ų | 170 | 155.4 Ų | 155.4 | 79% | 0.794 | 84% | 0.841 | S | S | * | * | trans | -95.4 | 115.6 | 165.7 | -77.7 | -173.9 | 175.8 | 0 | 0 | 108.1 | ||||
| 250 | R | 47.5 | Very low | 49.6 | Very low | 232 Ų | 232 | 157.8 Ų | 157.8 | 88% | 0.875 | 85% | 0.845 | S | S | * | * | trans | -110.3 | 141 | 156 | -88.8 | -172.6 | -179.9 | 173.4 | 0.5 | 107.7 | ||||
| 251 | P | 48.2 | Very low | 50.2 | Low | 117 Ų | 117 | 158.6 Ų | 158.6 | 76% | 0.76 | 84% | 0.844 | S | S | * | * | trans | -91.4 | 128.3 | -170.8 | 34.5 | -30 | 0 | 0 | 0 | 111.2 | ||||
| 252 | D | 44.9 | Very low | 50.5 | Low | 167 Ų | 167 | 157.9 Ų | 157.9 | 89% | 0.893 | 85% | 0.847 | S | S | * | * | trans | -153 | 102.3 | 160.6 | -82.5 | -38 | 0 | 0 | 0 | 108.3 | ||||
| 253 | S | 54.6 | Low | 50.8 | Low | 117 Ų | 117 | 156.2 Ų | 156.2 | 82% | 0.818 | 85% | 0.845 | S | S | * | * | trans | -166.2 | 91.1 | 150.6 | -167.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 254 | V | 53.3 | Low | 51.2 | Low | 139 Ų | 139 | 156 Ų | 156 | 84% | 0.842 | 85% | 0.846 | S | S | * | * | trans | -88.4 | 100.1 | 162 | -169.1 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 255 | F | 46.6 | Very low | 51.1 | Low | 188 Ų | 188 | 157.9 Ų | 157.9 | 83% | 0.825 | 85% | 0.85 | S | S | * | * | trans | 172.9 | 147.6 | 148.1 | -122.3 | -106.2 | 0 | 0 | 0 | 112.2 | ||||
| 256 | S | 48.6 | Very low | 50.9 | Low | 108 Ų | 108 | 158.8 Ų | 158.8 | 76% | 0.755 | 85% | 0.847 | S | S | * | * | trans | 77.2 | 122.3 | 169.4 | -115.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 257 | V | 56.9 | Low | 51.2 | Low | 121 Ų | 121 | 163.2 Ų | 163.2 | 73% | 0.733 | 85% | 0.847 | S | S | * | * | cis | -165.8 | 116.8 | 44.8 | 168.2 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 258 | L | 52.8 | Low | 51.1 | Low | 164 Ų | 164 | 161.8 Ų | 161.8 | 86% | 0.859 | 85% | 0.852 | S | S | * | * | 32.5 | 80.8 | 103.8 | -82.9 | 168.2 | 0 | 0 | 0 | 116.5 | |||||
| 259 | F | 57.2 | Low | 51.3 | Low | 281 Ų | 281 | 164 Ų | 164 | 100% | 1.232 | 85% | 0.853 | S | S | * | * | trans | -162.8 | 0 | 131.5 | -128 | -86.5 | 0 | 0 | 0 | 110.1 |
Retrieved 259 of 259 residues in 100.7 ms
(Link to these results)