| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 31.2 | Very low | 31.3 | Very low | 226 Ų | 226 | 156 Ų | 156 | 100% | 1.113 | 84% | 0.837 | S | S | * | * | 0 | 84 | 0 | -145 | 172.6 | -170.7 | 0 | 0 | 106.6 | |||||
| 2 | D | 28.7 | Very low | 31.4 | Very low | 131 Ų | 131 | 151.3 Ų | 151.3 | 70% | 0.701 | 84% | 0.836 | S | S | * | * | cis | -150.4 | 145.1 | 7.6 | -73.1 | -47.8 | 0 | 0 | 0 | 108.9 | ||||
| 3 | D | 35.3 | Very low | 31.5 | Very low | 142 Ų | 142 | 148.8 Ų | 148.8 | 76% | 0.759 | 83% | 0.831 | S | S | * | * | trans | 21.5 | 101.8 | 146.9 | -58.1 | -44.6 | 0 | 0 | 0 | 120.9 | ||||
| 4 | E | 34.4 | Very low | 32 | Very low | 184 Ų | 184 | 147.7 Ų | 147.7 | 86% | 0.86 | 83% | 0.834 | S | S | * | * | trans | -164.2 | 45.9 | 142.2 | -133 | -178.6 | 157.2 | 0 | 0 | 113.9 | ||||
| 5 | F | 31.2 | Very low | 31.8 | Very low | 197 Ų | 197 | 142.9 Ų | 142.9 | 86% | 0.864 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -135.4 | 7.4 | 177 | -155.1 | -101.6 | 0 | 0 | 0 | 115.2 | ||
| 6 | L | 28.1 | Very low | 31.7 | Very low | 171 Ų | 171 | 144.3 Ų | 144.3 | 90% | 0.895 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -108.7 | 25.6 | -178.5 | -72.5 | 177.5 | 0 | 0 | 0 | 114.7 | ||
| 7 | S | 30.6 | Very low | 32.7 | Very low | 96 Ų | 96 | 142.4 Ų | 142.4 | 67% | 0.671 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -112.8 | 0.8 | -177.8 | 49.2 | 0 | 0 | 0 | 0 | 116.6 | ||
| 8 | N | 29 | Very low | 32.4 | Very low | 158 Ų | 158 | 145.3 Ų | 145.3 | 85% | 0.845 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -116.2 | 21.3 | -177.8 | -86.6 | -7.8 | 0 | 0 | 0 | 116.4 | ||
| 9 | L | 31.8 | Very low | 32.2 | Very low | 178 Ų | 178 | 142.5 Ų | 142.5 | 93% | 0.932 | 83% | 0.828 | S | S | * | * | trans | -125.6 | 97.7 | 161.9 | -83.5 | 101.6 | 0 | 0 | 0 | 110.1 | ||||
| 10 | S | 30.4 | Very low | 32.1 | Very low | 115 Ų | 115 | 143.5 Ų | 143.5 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | trans | -136.6 | 139.4 | 156.8 | -145 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 11 | P | 33.8 | Very low | 32 | Very low | 118 Ų | 118 | 143.1 Ų | 143.1 | 77% | 0.766 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 145 | -171.2 | 34 | -32.2 | 0 | 0 | 0 | 111.7 | ||
| 12 | A | 32.5 | Very low | 32.3 | Very low | 99 Ų | 99 | 138 Ų | 138 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 142.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 13 | P | 33.1 | Very low | 32.2 | Very low | 120 Ų | 120 | 139.2 Ų | 139.2 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 169.4 | -178 | 36.2 | -33.9 | 0 | 0 | 0 | 113.1 | ||
| 14 | P | 38.3 | Very low | 32.5 | Very low | 133 Ų | 133 | 137.6 Ų | 137.6 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 147.6 | -166.6 | 35.5 | -31.8 | 0 | 0 | 0 | 113.2 | ||
| 15 | G | 28.9 | Very low | 32.4 | Very low | 76 Ų | 76 | 135.3 Ų | 135.3 | 78% | 0.784 | 82% | 0.818 | S | S | * | * | trans | -160.7 | 98.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 16 | D | 29.5 | Very low | 32.5 | Very low | 165 Ų | 165 | 130.7 Ų | 130.7 | 88% | 0.882 | 82% | 0.816 | S | S | * | * | trans | -0.2 | 162.7 | 156.6 | -73.6 | -19.3 | 0 | 0 | 0 | 124.5 | ||||
| 17 | P | 48.9 | Very low | 32.7 | Very low | 111 Ų | 111 | 131.1 Ų | 131.1 | 72% | 0.721 | 81% | 0.814 | S | S | * | * | trans | -112.1 | 148 | -142.4 | 39.3 | -29 | 0 | 0 | 0 | 115 | ||||
| 18 | E | 28.2 | Very low | 32.8 | Very low | 195 Ų | 195 | 132.4 Ų | 132.4 | 91% | 0.911 | 82% | 0.82 | S | S | * | * | trans | -167.5 | 136.9 | 146.4 | -118.6 | 174.1 | 144.6 | 0 | 0 | 115.3 | ||||
| 19 | A | 27.8 | Very low | 33.1 | Very low | 92 Ų | 92 | 127.6 Ų | 127.6 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | trans | 76.1 | 105 | 145.6 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 20 | L | 30.3 | Very low | 33.2 | Very low | 163 Ų | 163 | 129.5 Ų | 129.5 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -23.6 | 138.7 | 152.7 | -71.9 | 113.4 | 0 | 0 | 0 | 118.7 | ||||
| 21 | T | 29.7 | Very low | 33.6 | Very low | 136 Ų | 136 | 136.6 Ų | 136.6 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | -170.8 | 147.6 | 103.5 | 30.2 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 22 | P | 38 | Very low | 33.7 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | trans | -92.7 | 132.8 | -175 | 34.9 | -27.8 | 0 | 0 | 0 | 110.6 | ||||
| 23 | N | 27.2 | Very low | 33.9 | Very low | 158 Ų | 158 | 132.7 Ų | 132.7 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | trans | -129.6 | 109.8 | 158.5 | -138.5 | 8.3 | 0 | 0 | 0 | 110 | T25 | N23-T25 PolarHBondContact O-N 3.49Š| ||
| 24 | S | 41.4 | Very low | 34.8 | Very low | 108 Ų | 108 | 132.4 Ų | 132.4 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | -59.7 | 119.3 | 175.3 | 43.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 25 | T | 31.2 | Very low | 35.7 | Very low | 135 Ų | 135 | 131.7 Ų | 131.7 | 83% | 0.828 | 79% | 0.786 | S | S | * | * | trans | -142 | 97.6 | 153.7 | 45.2 | 0 | 0 | 0 | 0 | 109.8 | N23 | N23-T25 PolarHBondContact O-N 3.49Š| ||
| 26 | A | 33.5 | Very low | 37.3 | Very low | 101 Ų | 101 | 130 Ų | 130 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | trans | 28.8 | 94.2 | 148 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 27 | E | 31.6 | Very low | 39.1 | Very low | 179 Ų | 179 | 124.1 Ų | 124.1 | 84% | 0.836 | 75% | 0.748 | S | S | * | * | trans | -88.3 | 129.1 | 147.8 | -70.5 | -108 | 139.1 | 0 | 0 | 108.2 | G29 | E27-G29 PolarHBondContact O-N 3.27Š| ||
| 28 | P | 33.4 | Very low | 40.4 | Very low | 123 Ų | 123 | 125.6 Ų | 125.6 | 80% | 0.799 | 75% | 0.745 | S | S | * | * | trans | -78.2 | 70.2 | 163.9 | 32 | -28.9 | 0 | 0 | 0 | 108.9 | W30 | P28-W30 PolarHBondContact O-N 3.23Š| ||
| 29 | G | 36.2 | Very low | 43.1 | Very low | 57 Ų | 57 | 120 Ų | 120 | 59% | 0.588 | 72% | 0.724 | S | S | * | * | trans | -77.3 | 89.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | E27 | E27-G29 PolarHBondContact O-N 3.27Š| ||
| 30 | W | 34.3 | Very low | 45.8 | Very low | 219 Ų | 219 | 118.4 Ų | 118.4 | 83% | 0.83 | 70% | 0.704 | S | S | * | * | trans | -131.6 | 71.1 | 166.2 | -70.5 | 98.9 | 0 | 0 | 0 | 111.1 | P28 | P28-W30 PolarHBondContact O-N 3.23Š| ||
| 31 | W | 37.3 | Very low | 48.3 | Very low | 263 Ų | 263 | 117.4 Ų | 117.4 | 100% | 0.996 | 70% | 0.695 | S | S | * | * | trans | -123.7 | 49.1 | 145.5 | -61.9 | 106.4 | 0 | 0 | 0 | 108.9 | A33 | W31-A33 VanDerWaalsContact C-N 3.32Å; W31-A33 PolarHBondContact O-N 3.19Å | ||
| 32 | G | 35.3 | Very low | 51.1 | Low | 71 Ų | 71 | 117.5 Ų | 117.5 | 73% | 0.732 | 68% | 0.684 | S | S | * | * | trans | -80.9 | 81.6 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 33 | A | 38.6 | Very low | 53.6 | Low | 65 Ų | 65 | 115.6 Ų | 115.6 | 54% | 0.537 | 67% | 0.67 | S | S | . | * | trans | 178.2 | 102.5 | 152 | 0 | 0 | 0 | 0 | 0 | 110.3 | W31 D35 G36 | W31-A33 VanDerWaalsContact C-N 3.32Å; W31-A33 PolarHBondContact O-N 3.19Å; A33-D35 HydrophobicContact CB-CB 4.37Å; A33-D35 PolarHBondContact O-N 3.09Å; A33-G36 PolarHBondContact O-N 2.93Å | ||
| 34 | S | 51.5 | Low | 56.6 | Low | 114 Ų | 114 | 109.4 Ų | 109.4 | 80% | 0.797 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -55 | -13.5 | 161.1 | -107.5 | 0 | 0 | 0 | 0 | 113.4 | ||
| 35 | D | 56.2 | Low | 59 | Low | 117 Ų | 117 | 109.5 Ų | 109.5 | 63% | 0.626 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -78.1 | -28.4 | -175.8 | -160.3 | 25.9 | 0 | 0 | 0 | 113.9 | A33 T39 | A33-D35 HydrophobicContact CB-CB 4.37Å; A33-D35 PolarHBondContact O-N 3.09Å; D35-T39 WeakPolarHBondContact O-CB 3.29Å; D35-T39 PolarHBondContact O-N 2.99Å; D35-T39 PolarHBondContact O-OG1 3.1Å |
| 36 | G | 62.2 | Low | 62 | Low | 41 Ų | 41 | 105.7 Ų | 105.7 | 42% | 0.423 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -73.9 | -36.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | A33 V40 | A33-G36 PolarHBondContact O-N 2.93Å; G36-V40 VanDerWaalsContact O-CG2 3.25Å; G36-V40 WeakPolarHBondContact O-CG2 3.35Å; G36-V40 PolarHBondContact O-N 2.96Å |
| 37 | G | 67.9 | Low | 64.9 | Low | 42 Ų | 42 | 104.5 Ų | 104.5 | 43% | 0.433 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -69.3 | -47.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T39 V40 H41 | G37-T39 VanDerWaalsContact C-N 3.32Å; G37-T39 PolarHBondContact O-N 3Å; G37-V40 PolarHBondContact O-N 2.83Å; G37-H41 PolarHBondContact O-CD2 3.1Å; G37-H41 VanDerWaalsContact O-CD2 3.24Å; G37-H41 PolarHBondContact O-N 2.88Å |
| 38 | E | 76.7 | Confident | 67.9 | Low | 142 Ų | 142 | 96.5 Ų | 96.5 | 66% | 0.664 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.1 | -40.9 | 179.4 | -64 | -170.3 | 154.7 | 0 | 0 | 111.8 | H41 F42 | E38-H41 PolarHBondContact O-N 2.9Å; E38-F42 WeakPolarHBondContact O-CB 3.48Å; E38-F42 PolarHBondContact O-N 2.91Å |
| 39 | T | 83.9 | Confident | 70.7 | Confident | 76 Ų | 76 | 92 Ų | 92 | 47% | 0.466 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 175.8 | -59.5 | 0 | 0 | 0 | 0 | 111.8 | D35 G37 F42 V43 | D35-T39 WeakPolarHBondContact O-CB 3.29Å; D35-T39 PolarHBondContact O-N 2.99Å; D35-T39 PolarHBondContact O-OG1 3.1Å; G37-T39 VanDerWaalsContact C-N 3.32Å; G37-T39 PolarHBondContact O-N 3Å; T39-F42 PolarHBondContact O-N 2.8Å; T39-V43 HydrophobicContact CG2-CG2 4.46Å; T39-V43 VanDerWaalsContact O-CG2 3.27Å; T39-V43 WeakPolarHBondContact O-CG2 3.5Å; T39-V43 PolarHBondContact O-N 2.9Å |
| 40 | V | 84.2 | Confident | 73.6 | Confident | 59 Ų | 59 | 93 Ų | 93 | 36% | 0.358 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.9 | -44.8 | 178.5 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | G36 G37 F42 V43 V44 | G36-V40 VanDerWaalsContact O-CG2 3.25Å; G36-V40 WeakPolarHBondContact O-CG2 3.35Å; G36-V40 PolarHBondContact O-N 2.96Å; G37-V40 PolarHBondContact O-N 2.83Å; V40-F42 PolarHBondContact O-N 2.85Å; V40-V43 PolarHBondContact O-N 2.85Å; V40-V44 HydrophobicContact CG1-CG2 4.32Å; V40-V44 WeakPolarHBondContact O-CB 3.45Å; V40-V44 VanDerWaalsContact O-CG2 3.26Å; V40-V44 WeakPolarHBondContact O-CG2 3.28Å; V40-V44 PolarHBondContact O-N 3.13Å |
| 41 | H | 83.8 | Confident | 76.5 | Confident | 142 Ų | 142 | 84.6 Ų | 84.6 | 66% | 0.657 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.5 | -42.5 | 177.4 | -85.4 | -102.8 | 0 | 0 | 0 | 112.1 | G37 E38 V44 R45 | G37-H41 PolarHBondContact O-CD2 3.1Å; G37-H41 VanDerWaalsContact O-CD2 3.24Å; G37-H41 PolarHBondContact O-N 2.88Å; E38-H41 PolarHBondContact O-N 2.9Å; H41-V44 PolarHBondContact O-N 2.81Å; H41-R45 WeakPolarHBondContact O-CB 3.49Å; H41-R45 PolarHBondContact O-N 3.02Å |
| 42 | F | 88.6 | Confident | 79.3 | Confident | 139 Ų | 139 | 72.2 Ų | 72.2 | 61% | 0.61 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -62.1 | -48.6 | 176.1 | -179.2 | -100.3 | 0 | 0 | 0 | 111.9 | E38 T39 V40 V44 R45 C46 | E38-F42 WeakPolarHBondContact O-CB 3.48Å; E38-F42 PolarHBondContact O-N 2.91Å; T39-F42 PolarHBondContact O-N 2.8Å; V40-F42 PolarHBondContact O-N 2.85Å; F42-V44 PolarHBondContact O-N 2.88Å; F42-R45 PolarHBondContact O-N 3.18Å; F42-C46 PolarHBondContact O-N 2.93Å; F42-C46 PolarHBondContact O-SG 3.05Å |
| 43 | V | 90.6 | Very high | 82.2 | Confident | 76 Ų | 76 | 73.4 Ų | 73.4 | 46% | 0.461 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60 | -46.9 | 178.1 | 171.2 | 0 | 0 | 0 | 0 | 111 | T39 V40 R45 C46 V47 | T39-V43 HydrophobicContact CG2-CG2 4.46Å; T39-V43 VanDerWaalsContact O-CG2 3.27Å; T39-V43 WeakPolarHBondContact O-CG2 3.5Å; T39-V43 PolarHBondContact O-N 2.9Å; V40-V43 PolarHBondContact O-N 2.85Å; V43-R45 VanDerWaalsContact C-N 3.33Å; V43-R45 PolarHBondContact O-N 3.36Å; V43-C46 PolarHBondContact O-N 2.82Å; V43-V47 HydrophobicContact CG1-CG2 4.17Å; V43-V47 WeakPolarHBondContact O-CB 3.45Å; V43-V47 VanDerWaalsContact O-CG2 3.28Å; V43-V47 WeakPolarHBondContact O-CG2 3.35Å; V43-V47 PolarHBondContact O-N 3.03Å |
| 44 | V | 90.8 | Very high | 85 | Confident | 29 Ų | 29 | 75.5 Ų | 75.5 | 18% | 0.176 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -58.5 | -46.5 | 177.4 | 169.2 | 0 | 0 | 0 | 0 | 110.5 | V40 H41 F42 C46 V47 M48 Y106 L312 | V40-V44 HydrophobicContact CG1-CG2 4.32Å; V40-V44 WeakPolarHBondContact O-CB 3.45Å; V40-V44 VanDerWaalsContact O-CG2 3.26Å; V40-V44 WeakPolarHBondContact O-CG2 3.28Å; V40-V44 PolarHBondContact O-N 3.13Å; H41-V44 PolarHBondContact O-N 2.81Å; F42-V44 PolarHBondContact O-N 2.88Å; V44-C46 PolarHBondContact O-N 3.44Å; V44-V47 PolarHBondContact O-N 3.28Å; V44-M48 HydrophobicContact CG1-CG 3.95Å; V44-M48 WeakPolarHBondContact O-CB 3.38Å; V44-M48 WeakPolarHBondContact O-CG 3.49Å; V44-M48 PolarHBondContact O-N 3.26Å; V44-Y106 HydrophobicContact CG1-CD1 4.34Å; V44-Y106 HydrophobicContact CG1-CE1 4.21Å; V44-L312 HydrophobicContact CG1-CD1 3.88Å; V44-L312 HydrophobicContact CG1-CD2 4.23Å; V44-L312 HydrophobicContact CG2-CD1 4.09Å |
| 45 | R | 91.8 | Very high | 87.1 | Confident | 109 Ų | 109 | 70.5 Ų | 70.5 | 41% | 0.411 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.7 | -47.1 | 178.6 | -176.4 | 175.1 | 175.7 | -174.9 | -5.1 | 112 | H41 F42 V43 T49 Y106 | H41-R45 WeakPolarHBondContact O-CB 3.49Å; H41-R45 PolarHBondContact O-N 3.02Å; F42-R45 PolarHBondContact O-N 3.18Å; V43-R45 VanDerWaalsContact C-N 3.33Å; V43-R45 PolarHBondContact O-N 3.36Å; R45-T49 WeakPolarHBondContact O-CB 3.48Å; R45-T49 PolarHBondContact O-N 2.99Å; R45-T49 PolarHBondContact O-OG1 3.24Å; R45-Y106 WeakPolarHBondContact CD-O 3.49Å; R45-Y106 WeakPolarHBondContact CG-O 3.38Å; R45-Y106 PolarHBondContact NE-O 3.11Å |
| 46 | C | 93.1 | Very high | 89.1 | Confident | 56 Ų | 56 | 66.8 Ų | 66.8 | 38% | 0.378 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.1 | -46.6 | 178.5 | -71.5 | 0 | 0 | 0 | 0 | 112.4 | F42 V43 V44 S50 | F42-C46 PolarHBondContact O-N 2.93Å; F42-C46 PolarHBondContact O-SG 3.05Å; V43-C46 PolarHBondContact O-N 2.82Å; V44-C46 PolarHBondContact O-N 3.44Å; C46-S50 WeakPolarHBondContact O-CB 3.34Å; C46-S50 PolarHBondContact O-N 3.16Å; C46-S50 VanDerWaalsContact O-N 3.11Å; C46-S50 PolarHBondContact O-OG 2.85Å |
| 47 | V | 94.6 | Very high | 90.7 | Very high | 76 Ų | 76 | 67.9 Ų | 67.9 | 46% | 0.461 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.7 | -51.4 | -179 | 172 | 0 | 0 | 0 | 0 | 110.7 | V43 V44 T49 S50 V51 | V43-V47 HydrophobicContact CG1-CG2 4.17Å; V43-V47 WeakPolarHBondContact O-CB 3.45Å; V43-V47 VanDerWaalsContact O-CG2 3.28Å; V43-V47 WeakPolarHBondContact O-CG2 3.35Å; V43-V47 PolarHBondContact O-N 3.03Å; V44-V47 PolarHBondContact O-N 3.28Å; V47-T49 PolarHBondContact O-N 3.13Å; V47-S50 PolarHBondContact O-N 3.03Å; V47-V51 HydrophobicContact CG1-CG2 4.44Å; V47-V51 WeakPolarHBondContact O-CG2 3.33Å; V47-V51 PolarHBondContact O-N 3.12Å |
| 48 | M | 94.4 | Very high | 92 | Very high | 10 Ų | 10 | 68 Ų | 68 | 5% | 0.049 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65.2 | -41.7 | -177.8 | -60.8 | -53 | -91.7 | 0 | 0 | 111.1 | V44 S50 V51 Y52 Y106 L312 V316 | V44-M48 HydrophobicContact CG1-CG 3.95Å; V44-M48 WeakPolarHBondContact O-CB 3.38Å; V44-M48 WeakPolarHBondContact O-CG 3.49Å; V44-M48 PolarHBondContact O-N 3.26Å; M48-S50 VanDerWaalsContact C-N 3.31Å; M48-S50 PolarHBondContact O-N 3.1Å; M48-V51 PolarHBondContact O-N 2.92Å; M48-Y52 HydrophobicContact CE-CE2 4.22Å; M48-Y52 WeakPolarHBondContact O-CD2 3.48Å; M48-Y52 PolarHBondContact O-N 2.8Å; M48-Y106 HydrophobicContact CB-CD1 4.22Å; M48-Y106 HydrophobicContact CB-CD2 3.97Å; M48-Y106 HydrophobicContact CB-CE1 3.98Å; M48-Y106 HydrophobicContact CB-CE2 3.74Å; M48-Y106 HydrophobicContact CB-CG 4.22Å; M48-Y106 WeakPolarHBondContact CE-OH 3.36Å; M48-Y106 HydrophobicContact CG-CD1 4.36Å; M48-Y106 HydrophobicContact CG-CE1 3.79Å; M48-Y106 HydrophobicContact CG-CE2 4.29Å; M48-L312 HydrophobicContact CE-CB 3.46Å; M48-L312 VanDerWaalsContact CE-CB 3.46Å; M48-L312 HydrophobicContact CE-CD2 3.57Å; M48-L312 HydrophobicContact CE-CG 3.97Å; M48-L312 HydrophobicContact CG-CD2 4.27Å; M48-L312 HydrophobicContact SD-CB 4.09Å; M48-L312 HydrophobicContact SD-CD1 4.41Å; M48-L312 HydrophobicContact SD-CD2 4.3Å; M48-L312 HydrophobicContact SD-CG 4.46Å; M48-V316 HydrophobicContact CE-CG2 3.46Å; M48-V316 VanDerWaalsContact CE-CG2 3.46Å; M48-V316 HydrophobicContact SD-CG2 4.17Å |
| 49 | T | 93.3 | Very high | 93 | Very high | 30 Ų | 30 | 61.2 Ų | 61.2 | 18% | 0.184 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56.7 | -46.6 | 174.7 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | R45 V47 V51 Y52 I53 F107 | R45-T49 WeakPolarHBondContact O-CB 3.48Å; R45-T49 PolarHBondContact O-N 2.99Å; R45-T49 PolarHBondContact O-OG1 3.24Å; V47-T49 PolarHBondContact O-N 3.13Å; T49-V51 PolarHBondContact O-N 3.14Å; T49-Y52 PolarHBondContact O-N 2.96Å; T49-I53 HydrophobicContact CG2-CD1 3.91Å; T49-I53 VanDerWaalsContact O-CG1 3.3Å; T49-I53 WeakPolarHBondContact O-CG1 3.43Å; T49-I53 PolarHBondContact O-N 3.18Å; T49-F107 HydrophobicContact CG2-CE2 4.24Å; T49-F107 HydrophobicContact CG2-CZ 3.81Å; T49-F107 WeakPolarHBondContact OG1-CE2 3.05Å; T49-F107 VanDerWaalsContact OG1-CZ 3.3Å; T49-F107 WeakPolarHBondContact OG1-CZ 3.34Å |
| 50 | S | 95.4 | Very high | 93.6 | Very high | 77 Ų | 77 | 59.7 Ų | 59.7 | 54% | 0.538 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 179.5 | -56.5 | 0 | 0 | 0 | 0 | 112 | C46 V47 M48 L54 | C46-S50 WeakPolarHBondContact O-CB 3.34Å; C46-S50 PolarHBondContact O-N 3.16Å; C46-S50 VanDerWaalsContact O-N 3.11Å; C46-S50 PolarHBondContact O-OG 2.85Å; V47-S50 PolarHBondContact O-N 3.03Å; M48-S50 VanDerWaalsContact C-N 3.31Å; M48-S50 PolarHBondContact O-N 3.1Å; S50-L54 PolarHBondContact O-N 3.26Å |
| 51 | V | 96.5 | Very high | 94.1 | Very high | 43 Ų | 43 | 62.9 Ų | 62.9 | 26% | 0.261 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.1 | -42.6 | 177.5 | 171.3 | 0 | 0 | 0 | 0 | 111.6 | V47 M48 T49 L54 I55 V316 | V47-V51 HydrophobicContact CG1-CG2 4.44Å; V47-V51 WeakPolarHBondContact O-CG2 3.33Å; V47-V51 PolarHBondContact O-N 3.12Å; M48-V51 PolarHBondContact O-N 2.92Å; T49-V51 PolarHBondContact O-N 3.14Å; V51-L54 WeakPolarHBondContact O-CB 3.31Å; V51-L54 PolarHBondContact O-N 3.47Å; V51-I55 HydrophobicContact CG1-CD1 3.88Å; V51-I55 HydrophobicContact CG1-CG1 4.44Å; V51-I55 WeakPolarHBondContact O-CG1 3.45Å; V51-I55 PolarHBondContact O-N 3.25Å; V51-V316 HydrophobicContact CG1-CB 4.41Å; V51-V316 HydrophobicContact CG1-CG1 3.65Å; V51-V316 HydrophobicContact CG1-CG2 3.83Å |
| 52 | Y | 96.1 | Very high | 94.6 | Very high | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.008 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68.3 | -38.5 | 179.8 | -83.5 | -116.1 | 0 | 0 | 0 | 111.7 | M48 T49 L54 I55 I56 V99 D102 A103 Y106 V316 F319 | M48-Y52 HydrophobicContact CE-CE2 4.22Å; M48-Y52 WeakPolarHBondContact O-CD2 3.48Å; M48-Y52 PolarHBondContact O-N 2.8Å; T49-Y52 PolarHBondContact O-N 2.96Å; Y52-L54 VanDerWaalsContact C-N 3.3Å; Y52-L54 PolarHBondContact O-N 3.37Å; Y52-I55 PolarHBondContact O-N 2.99Å; Y52-I56 WeakPolarHBondContact O-CB 3.33Å; Y52-I56 VanDerWaalsContact O-CG1 3.27Å; Y52-I56 WeakPolarHBondContact O-CG1 3.14Å; Y52-I56 PolarHBondContact O-N 3.34Å; Y52-V99 HydrophobicContact CD1-CG1 3.49Å; Y52-V99 VanDerWaalsContact CD1-CG1 3.49Å; Y52-V99 WeakPolarHBondContact CD1-O 3.43Å; Y52-V99 HydrophobicContact CE1-CG1 4.08Å; Y52-V99 HydrophobicContact CG-CG1 4.35Å; Y52-D102 HydrophobicContact CE1-CB 4.18Å; Y52-D102 PolarHBondContact OH-OD2 3.34Å; Y52-A103 HydrophobicContact CD1-CB 3.59Å; Y52-A103 HydrophobicContact CE1-CB 4.29Å; Y52-A103 HydrophobicContact CG-CB 4.01Å; Y52-Y106 HydrophobicContact CE2-CE2 4.02Å; Y52-V316 HydrophobicContact CE2-CG2 4.13Å; Y52-F319 AromaticContact CE1-CD2 3.75Å; Y52-F319 HydrophobicContact CE1-CD2 3.75Å; Y52-F319 AromaticContact CE1-CE2 3.76Å; Y52-F319 HydrophobicContact CE1-CE2 3.76Å; Y52-F319 AromaticContact CZ-CD2 3.87Å; Y52-F319 AromaticContact CZ-CE2 3.98Å; Y52-F319 WeakPolarHBondContact OH-CE2 3.39Å |
| 53 | I | 96.2 | Very high | 94.9 | Very high | 97 Ų | 97 | 50 Ų | 50 | 50% | 0.497 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60 | -43.4 | 172 | -69.3 | 168.3 | 0 | 0 | 0 | 110.3 | T49 I56 T57 | T49-I53 HydrophobicContact CG2-CD1 3.91Å; T49-I53 VanDerWaalsContact O-CG1 3.3Å; T49-I53 WeakPolarHBondContact O-CG1 3.43Å; T49-I53 PolarHBondContact O-N 3.18Å; I53-I56 PolarHBondContact O-N 3.21Å; I53-T57 HydrophobicContact CG2-CG2 4.3Å; I53-T57 WeakPolarHBondContact O-CB 3.15Å; I53-T57 VanDerWaalsContact O-CG2 3.27Å; I53-T57 WeakPolarHBondContact O-CG2 3.33Å; I53-T57 PolarHBondContact O-N 3.12Å; I53-T57 PolarHBondContact O-OG1 3Å |
| 54 | L | 96.8 | Very high | 95.1 | Very high | 108 Ų | 108 | 51 Ų | 51 | 57% | 0.565 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -62.2 | -45.7 | 176.3 | -176.5 | 67.7 | 0 | 0 | 0 | 111.7 | S50 V51 Y52 T57 V58 | S50-L54 PolarHBondContact O-N 3.26Å; V51-L54 WeakPolarHBondContact O-CB 3.31Å; V51-L54 PolarHBondContact O-N 3.47Å; Y52-L54 VanDerWaalsContact C-N 3.3Å; Y52-L54 PolarHBondContact O-N 3.37Å; L54-T57 WeakPolarHBondContact CA-OG1 3.17Å; L54-T57 PolarHBondContact O-N 3.25Å; L54-T57 PolarHBondContact O-OG1 2.69Å; L54-V58 HydrophobicContact CD1-CG2 3.74Å; L54-V58 HydrophobicContact CG-CG2 4.24Å; L54-V58 VanDerWaalsContact O-CB 3.27Å; L54-V58 WeakPolarHBondContact O-CB 3.34Å; L54-V58 VanDerWaalsContact O-CG2 3.29Å; L54-V58 WeakPolarHBondContact O-CG2 3.44Å; L54-V58 PolarHBondContact O-N 2.7Å |
| 55 | I | 96.9 | Very high | 95.1 | Very high | 9 Ų | 9 | 50.7 Ų | 50.7 | 5% | 0.046 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.1 | -48.7 | 177.5 | -72.2 | 170.1 | 0 | 0 | 0 | 110.8 | V51 Y52 G59 L95 V99 V316 F319 C323 | V51-I55 HydrophobicContact CG1-CD1 3.88Å; V51-I55 HydrophobicContact CG1-CG1 4.44Å; V51-I55 WeakPolarHBondContact O-CG1 3.45Å; V51-I55 PolarHBondContact O-N 3.25Å; Y52-I55 PolarHBondContact O-N 2.99Å; I55-G59 WeakPolarHBondContact O-CA 3.3Å; I55-G59 PolarHBondContact O-N 2.96Å; I55-L95 HydrophobicContact CG2-CD2 3.78Å; I55-V99 HydrophobicContact CG2-CG1 4.28Å; I55-V316 HydrophobicContact CD1-CG1 4.29Å; I55-F319 HydrophobicContact CD1-CB 4.24Å; I55-F319 HydrophobicContact CG2-CB 4.24Å; I55-C323 PolarHBondContact O-SG 3.49Å |
| 56 | I | 97.1 | Very high | 95.1 | Very high | 40 Ų | 40 | 45.9 Ų | 45.9 | 21% | 0.205 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.3 | -51 | 179.9 | -68.9 | 166.1 | 0 | 0 | 0 | 109.9 | Y52 I53 L60 V99 P100 | Y52-I56 WeakPolarHBondContact O-CB 3.33Å; Y52-I56 VanDerWaalsContact O-CG1 3.27Å; Y52-I56 WeakPolarHBondContact O-CG1 3.14Å; Y52-I56 PolarHBondContact O-N 3.34Å; I53-I56 PolarHBondContact O-N 3.21Å; I56-L60 HydrophobicContact CG2-CD1 3.6Å; I56-L60 HydrophobicContact CG2-CG 4.2Å; I56-L60 WeakPolarHBondContact O-CB 3.28Å; I56-L60 WeakPolarHBondContact O-CG 3.5Å; I56-L60 PolarHBondContact O-N 3.46Å; I56-V99 HydrophobicContact CD1-CG1 3.92Å; I56-V99 HydrophobicContact CG1-CB 4.16Å; I56-V99 HydrophobicContact CG1-CG1 3.6Å; I56-P100 HydrophobicContact CD1-CG 4.02Å |
| 57 | T | 96.1 | Very high | 95.1 | Very high | 64 Ų | 64 | 44.7 Ų | 44.7 | 39% | 0.393 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.7 | -52.1 | -176.3 | 51.1 | 0 | 0 | 0 | 0 | 112.1 | I53 L54 L61 | I53-T57 HydrophobicContact CG2-CG2 4.3Å; I53-T57 WeakPolarHBondContact O-CB 3.15Å; I53-T57 VanDerWaalsContact O-CG2 3.27Å; I53-T57 WeakPolarHBondContact O-CG2 3.33Å; I53-T57 PolarHBondContact O-N 3.12Å; I53-T57 PolarHBondContact O-OG1 3Å; L54-T57 WeakPolarHBondContact CA-OG1 3.17Å; L54-T57 PolarHBondContact O-N 3.25Å; L54-T57 PolarHBondContact O-OG1 2.69Å; T57-L61 VanDerWaalsContact O-CB 3.32Å; T57-L61 WeakPolarHBondContact O-CB 3.4Å; T57-L61 WeakPolarHBondContact O-CD1 3.48Å; T57-L61 WeakPolarHBondContact O-CG 3.31Å; T57-L61 PolarHBondContact O-N 3.49Å |
| 58 | V | 95.9 | Very high | 94.9 | Very high | 44 Ų | 44 | 46 Ų | 46 | 27% | 0.267 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.2 | -44.6 | -179 | 174.8 | 0 | 0 | 0 | 0 | 111.1 | L54 G62 C323 F327 | L54-V58 HydrophobicContact CD1-CG2 3.74Å; L54-V58 HydrophobicContact CG-CG2 4.24Å; L54-V58 VanDerWaalsContact O-CB 3.27Å; L54-V58 WeakPolarHBondContact O-CB 3.34Å; L54-V58 VanDerWaalsContact O-CG2 3.29Å; L54-V58 WeakPolarHBondContact O-CG2 3.44Å; L54-V58 PolarHBondContact O-N 2.7Å; V58-G62 PolarHBondContact O-N 2.73Å; V58-C323 HydrophobicContact CG1-CB 4.38Å; V58-F327 HydrophobicContact CG1-CE2 3.35Å; V58-F327 HydrophobicContact CG1-CZ 3.48Å; V58-F327 VanDerWaalsContact CG1-CZ 3.48Å |
| 59 | G | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.9 | -47.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I55 N63 | I55-G59 WeakPolarHBondContact O-CA 3.3Å; I55-G59 PolarHBondContact O-N 2.96Å; G59-N63 WeakPolarHBondContact O-CB 3.2Å; G59-N63 PolarHBondContact O-N 2.93Å; G59-N63 PolarHBondContact O-ND2 3.31Å |
| 60 | L | 96.8 | Very high | 94.3 | Very high | 43 Ų | 43 | 46.4 Ų | 46.4 | 23% | 0.225 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65 | -48.9 | 178.8 | -71.1 | 179.3 | 0 | 0 | 0 | 110.9 | I56 G62 N63 I64 L92 L95 V96 | I56-L60 HydrophobicContact CG2-CD1 3.6Å; I56-L60 HydrophobicContact CG2-CG 4.2Å; I56-L60 WeakPolarHBondContact O-CB 3.28Å; I56-L60 WeakPolarHBondContact O-CG 3.5Å; I56-L60 PolarHBondContact O-N 3.46Å; L60-G62 VanDerWaalsContact C-N 3.35Å; L60-G62 PolarHBondContact O-N 3.4Å; L60-N63 PolarHBondContact O-N 3.44Å; L60-I64 HydrophobicContact CB-CD1 4.29Å; L60-I64 WeakPolarHBondContact O-CB 3.45Å; L60-I64 WeakPolarHBondContact O-CD1 3.25Å; L60-I64 WeakPolarHBondContact O-CG1 3.42Å; L60-I64 PolarHBondContact O-N 3.22Å; L60-L92 HydrophobicContact CD2-CD2 3.74Å; L60-L95 HydrophobicContact CD2-CB 3.81Å; L60-L95 HydrophobicContact CD2-CD1 4.34Å; L60-L95 HydrophobicContact CG-CB 4.31Å; L60-V96 HydrophobicContact CD2-CG2 3.75Å |
| 61 | L | 95 | Very high | 93.9 | Very high | 127 Ų | 127 | 47.5 Ų | 47.5 | 67% | 0.665 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -57.6 | -48 | 178.9 | -73.2 | 171.1 | 0 | 0 | 0 | 111.5 | T57 M65 | T57-L61 VanDerWaalsContact O-CB 3.32Å; T57-L61 WeakPolarHBondContact O-CB 3.4Å; T57-L61 WeakPolarHBondContact O-CD1 3.48Å; T57-L61 WeakPolarHBondContact O-CG 3.31Å; T57-L61 PolarHBondContact O-N 3.49Å; L61-M65 WeakPolarHBondContact O-CB 3.5Å; L61-M65 PolarHBondContact O-N 2.73Å; L61-M65 VanDerWaalsContact O-N 3.11Å |
| 62 | G | 93.9 | Very high | 93.3 | Very high | 11 Ų | 11 | 50 Ų | 50 | 11% | 0.113 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.2 | -49.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | V58 L60 M65 L66 P326 | V58-G62 PolarHBondContact O-N 2.73Å; L60-G62 VanDerWaalsContact C-N 3.35Å; L60-G62 PolarHBondContact O-N 3.4Å; G62-M65 PolarHBondContact O-N 3.07Å; G62-L66 WeakPolarHBondContact O-CB 3.42Å; G62-L66 PolarHBondContact O-N 3.05Å; G62-P326 VanDerWaalsContact C-CG 3.43Å |
| 63 | N | 95.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -75.4 | -37.5 | -175.7 | -71.3 | -66 | 0 | 0 | 0 | 112.8 | G59 L60 M65 L66 V67 A88 L92 S322 | G59-N63 WeakPolarHBondContact O-CB 3.2Å; G59-N63 PolarHBondContact O-N 2.93Å; G59-N63 PolarHBondContact O-ND2 3.31Å; L60-N63 PolarHBondContact O-N 3.44Å; N63-M65 VanDerWaalsContact C-N 3.3Å; N63-M65 PolarHBondContact O-N 2.86Å; N63-L66 WeakPolarHBondContact O-CB 3.48Å; N63-L66 PolarHBondContact O-N 3.43Å; N63-V67 WeakPolarHBondContact O-CG2 3.38Å; N63-V67 PolarHBondContact O-N 3.46Å; N63-A88 HydrophobicContact CB-CB 4.25Å; N63-L92 HydrophobicContact CB-CD1 4.39Å; N63-L92 HydrophobicContact CB-CD2 3.66Å; N63-L92 HydrophobicContact CB-CG 3.74Å; N63-S322 PolarHBondContact ND2-O 2.6Å |
| 64 | I | 94.8 | Very high | 91.7 | Very high | 95 Ų | 95 | 51.3 Ų | 51.3 | 49% | 0.487 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.6 | -46.3 | 172.4 | -70.4 | 169.3 | 0 | 0 | 0 | 109.6 | L60 L66 V67 K68 L92 | L60-I64 HydrophobicContact CB-CD1 4.29Å; L60-I64 WeakPolarHBondContact O-CB 3.45Å; L60-I64 WeakPolarHBondContact O-CD1 3.25Å; L60-I64 WeakPolarHBondContact O-CG1 3.42Å; L60-I64 PolarHBondContact O-N 3.22Å; I64-L66 VanDerWaalsContact C-N 3.31Å; I64-L66 PolarHBondContact O-N 3.04Å; I64-V67 PolarHBondContact O-N 3.05Å; I64-K68 WeakPolarHBondContact O-CB 3.39Å; I64-K68 PolarHBondContact O-N 3.04Å; I64-L92 HydrophobicContact CG1-CD1 4.39Å; I64-L92 HydrophobicContact CG1-CD2 3.74Å |
| 65 | M | 91.3 | Very high | 90.5 | Very high | 24 Ų | 24 | 50.4 Ų | 50.4 | 12% | 0.118 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -69.2 | -32.4 | -177.2 | -158.3 | -146 | 64 | 0 | 0 | 111.6 | L61 G62 N63 K68 I69 F336 F340 | L61-M65 WeakPolarHBondContact O-CB 3.5Å; L61-M65 PolarHBondContact O-N 2.73Å; L61-M65 VanDerWaalsContact O-N 3.11Å; G62-M65 PolarHBondContact O-N 3.07Å; N63-M65 VanDerWaalsContact C-N 3.3Å; N63-M65 PolarHBondContact O-N 2.86Å; M65-K68 PolarHBondContact O-N 2.99Å; M65-I69 HydrophobicContact CE-CD1 3.4Å; M65-I69 HydrophobicContact CE-CG1 4.43Å; M65-I69 VanDerWaalsContact O-CG1 3.28Å; M65-I69 WeakPolarHBondContact O-CG1 3.38Å; M65-I69 PolarHBondContact O-N 3.16Å; M65-I69 HydrophobicContact SD-CD1 4.48Å; M65-F336 HydrophobicContact CE-CZ 4.11Å; M65-F340 HydrophobicContact CE-CB 3.92Å; M65-F340 HydrophobicContact CE-CD1 4.43Å; M65-F340 HydrophobicContact CE-CD2 2.82Å; M65-F340 HydrophobicContact CE-CE2 3.15Å; M65-F340 HydrophobicContact CE-CG 3.47Å; M65-F340 VanDerWaalsContact CE-CG 3.47Å; M65-F340 HydrophobicContact CE-CZ 4.13Å; M65-F340 HydrophobicContact SD-CD1 4.4Å; M65-F340 HydrophobicContact SD-CD2 3.67Å; M65-F340 HydrophobicContact SD-CE1 4.47Å; M65-F340 HydrophobicContact SD-CE2 3.62Å; M65-F340 HydrophobicContact SD-CG 3.96Å; M65-F340 HydrophobicContact SD-CZ 4.03Å |
| 66 | L | 91.3 | Very high | 89.4 | Confident | 8 Ų | 8 | 51 Ų | 51 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.2 | -50.9 | 170.6 | -177 | 169.9 | 0 | 0 | 0 | 111.9 | G62 N63 I64 K68 I69 F70 I84 A88 L329 F336 | G62-L66 WeakPolarHBondContact O-CB 3.42Å; G62-L66 PolarHBondContact O-N 3.05Å; N63-L66 WeakPolarHBondContact O-CB 3.48Å; N63-L66 PolarHBondContact O-N 3.43Å; I64-L66 VanDerWaalsContact C-N 3.31Å; I64-L66 PolarHBondContact O-N 3.04Å; L66-K68 VanDerWaalsContact C-N 3.32Å; L66-K68 PolarHBondContact O-N 3.38Å; L66-I69 PolarHBondContact O-N 2.81Å; L66-F70 PolarHBondContact O-N 2.89Å; L66-I84 HydrophobicContact CD1-CG2 4.01Å; L66-I84 HydrophobicContact CD2-CG2 4.06Å; L66-I84 HydrophobicContact CG-CG2 4.34Å; L66-A88 HydrophobicContact CD1-CB 3.99Å; L66-A88 HydrophobicContact CD2-CB 3.6Å; L66-A88 HydrophobicContact CG-CB 4.27Å; L66-L329 HydrophobicContact CD1-CD1 3.33Å; L66-L329 HydrophobicContact CG-CD1 4.13Å; L66-F336 HydrophobicContact CB-CE2 4.02Å; L66-F336 HydrophobicContact CB-CZ 4.12Å; L66-F336 HydrophobicContact CG-CE2 3.94Å; L66-F336 HydrophobicContact CG-CZ 4.31Å |
| 67 | V | 92 | Very high | 88.5 | Confident | 31 Ų | 31 | 55.5 Ų | 55.5 | 19% | 0.188 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.2 | -42.3 | 176.8 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | N63 I64 I69 F70 I71 A88 L92 | N63-V67 WeakPolarHBondContact O-CG2 3.38Å; N63-V67 PolarHBondContact O-N 3.46Å; I64-V67 PolarHBondContact O-N 3.05Å; V67-I69 PolarHBondContact O-N 2.89Å; V67-F70 WeakPolarHBondContact O-CB 3.37Å; V67-F70 PolarHBondContact O-N 3.35Å; V67-I71 HydrophobicContact CG1-CD1 3.64Å; V67-I71 HydrophobicContact CG1-CG1 4.3Å; V67-I71 WeakPolarHBondContact O-CG1 3.43Å; V67-I71 PolarHBondContact O-N 3.42Å; V67-A88 HydrophobicContact CG2-CB 3.81Å; V67-L92 HydrophobicContact CG2-CD1 4.19Å |
| 68 | K | 90.2 | Very high | 87.8 | Confident | 102 Ų | 102 | 54.7 Ų | 54.7 | 44% | 0.443 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.4 | -47.8 | 176.3 | -173.3 | -170.4 | -177.7 | -167.7 | 0 | 112 | I64 M65 L66 F70 I71 T72 | I64-K68 WeakPolarHBondContact O-CB 3.39Å; I64-K68 PolarHBondContact O-N 3.04Å; M65-K68 PolarHBondContact O-N 2.99Å; L66-K68 VanDerWaalsContact C-N 3.32Å; L66-K68 PolarHBondContact O-N 3.38Å; K68-F70 VanDerWaalsContact C-N 3.29Å; K68-F70 PolarHBondContact O-N 3.06Å; K68-I71 PolarHBondContact O-N 3.49Å; K68-T72 VanDerWaalsContact O-CB 3.29Å; K68-T72 WeakPolarHBondContact O-CB 3.49Å; K68-T72 PolarHBondContact O-N 2.93Å; K68-T72 PolarHBondContact O-OG1 3.11Å |
| 69 | I | 87.9 | Confident | 87.2 | Confident | 7 Ų | 7 | 53.4 Ų | 53.4 | 4% | 0.036 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.7 | -42.2 | 178.1 | -72.6 | 169 | 0 | 0 | 0 | 110.5 | M65 L66 V67 N73 F336 H339 F340 Q343 | M65-I69 HydrophobicContact CE-CD1 3.4Å; M65-I69 HydrophobicContact CE-CG1 4.43Å; M65-I69 VanDerWaalsContact O-CG1 3.28Å; M65-I69 WeakPolarHBondContact O-CG1 3.38Å; M65-I69 PolarHBondContact O-N 3.16Å; M65-I69 HydrophobicContact SD-CD1 4.48Å; L66-I69 PolarHBondContact O-N 2.81Å; V67-I69 PolarHBondContact O-N 2.89Å; I69-N73 WeakPolarHBondContact O-CB 3.41Å; I69-N73 PolarHBondContact O-N 3.47Å; I69-N73 VanDerWaalsContact O-N 3.11Å; I69-F336 HydrophobicContact CD1-CD2 4.34Å; I69-F336 HydrophobicContact CD1-CE2 3.93Å; I69-F336 HydrophobicContact CD1-CZ 4.39Å; I69-H339 HydrophobicContact CD1-CB 3.99Å; I69-H339 HydrophobicContact CG1-CB 4.19Å; I69-H339 HydrophobicContact CG2-CB 3.77Å; I69-F340 HydrophobicContact CD1-CB 4.33Å; I69-Q343 HydrophobicContact CG1-CG 4.4Å |
| 70 | F | 87.4 | Confident | 86.5 | Confident | 42 Ų | 42 | 54.3 Ų | 54.3 | 18% | 0.184 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.5 | -46 | 178.5 | 175.5 | -97.7 | 0 | 0 | 0 | 112.7 | L66 V67 K68 R77 N81 I82 | L66-F70 PolarHBondContact O-N 2.89Å; V67-F70 WeakPolarHBondContact O-CB 3.37Å; V67-F70 PolarHBondContact O-N 3.35Å; K68-F70 VanDerWaalsContact C-N 3.29Å; K68-F70 PolarHBondContact O-N 3.06Å; F70-R77 HydrophobicContact CE2-CG 4.42Å; F70-R77 HydrophobicContact CZ-CG 4.46Å; F70-N81 HydrophobicContact CD2-CB 4.15Å; F70-N81 HydrophobicContact CE2-CB 4.18Å; F70-I82 HydrophobicContact CE2-CG1 4.06Å; F70-I82 HydrophobicContact CZ-CG1 3.88Å |
| 71 | I | 86.9 | Confident | 86 | Confident | 101 Ų | 101 | 53.8 Ų | 53.8 | 52% | 0.518 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.4 | -45.2 | -179.2 | -66.4 | 170.2 | 0 | 0 | 0 | 110.9 | V67 K68 R77 | V67-I71 HydrophobicContact CG1-CD1 3.64Å; V67-I71 HydrophobicContact CG1-CG1 4.3Å; V67-I71 WeakPolarHBondContact O-CG1 3.43Å; V67-I71 PolarHBondContact O-N 3.42Å; K68-I71 PolarHBondContact O-N 3.49Å; I71-R77 PolarHBondContact O-NH2 3.05Å |
| 72 | T | 85.2 | Confident | 85.8 | Confident | 96 Ų | 96 | 48.6 Ų | 48.6 | 59% | 0.589 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -71.1 | -34.9 | -172.9 | -51 | 0 | 0 | 0 | 0 | 112.2 | K68 | K68-T72 VanDerWaalsContact O-CB 3.29Å; K68-T72 WeakPolarHBondContact O-CB 3.49Å; K68-T72 PolarHBondContact O-N 2.93Å; K68-T72 PolarHBondContact O-OG1 3.11Å |
| 73 | N | 80.7 | Confident | 85.7 | Confident | 39 Ų | 39 | 48.2 Ų | 48.2 | 21% | 0.209 | 27% | 0.267 | C | S | . | . | trans | -104.4 | 102.9 | -175.9 | -168.4 | -15.5 | 0 | 0 | 0 | 112.1 | I69 A75 M76 H339 | I69-N73 WeakPolarHBondContact O-CB 3.41Å; I69-N73 PolarHBondContact O-N 3.47Å; I69-N73 VanDerWaalsContact O-N 3.11Å; N73-A75 PolarHBondContact O-N 2.74Å; N73-A75 VanDerWaalsContact OD1-CB 3.28Å; N73-A75 WeakPolarHBondContact OD1-CB 3.35Å; N73-A75 PolarHBondContact OD1-N 3.3Å; N73-M76 HydrophobicContact CB-CB 4.23Å; N73-M76 HydrophobicContact CB-CG 3.99Å; N73-M76 WeakPolarHBondContact O-CB 3.44Å; N73-M76 PolarHBondContact O-N 2.96Å; N73-H339 PolarHBondContact ND2-CD2 3.37Å; N73-H339 PolarHBondContact ND2-CE1 3.46Å; N73-H339 PolarHBondContact ND2-NE2 3.21Å | ||
| 74 | S | 76.9 | Confident | 85.5 | Confident | 87 Ų | 87 | 49.3 Ų | 49.3 | 61% | 0.608 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -60.1 | -31.1 | 176.3 | 58 | 0 | 0 | 0 | 0 | 113.4 | M76 R77 | S74-M76 PolarHBondContact O-N 3.04Å; S74-R77 WeakPolarHBondContact O-CB 3.47Å; S74-R77 WeakPolarHBondContact O-CG 3.45Å; S74-R77 PolarHBondContact O-N 3.1Å; S74-R77 VanDerWaalsContact O-N 3.13Å |
| 75 | A | 71.9 | Confident | 85.3 | Confident | 89 Ų | 89 | 45.6 Ų | 45.6 | 74% | 0.736 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -68.9 | -16.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | N73 | N73-A75 PolarHBondContact O-N 2.74Å; N73-A75 VanDerWaalsContact OD1-CB 3.28Å; N73-A75 WeakPolarHBondContact OD1-CB 3.35Å; N73-A75 PolarHBondContact OD1-N 3.3Å |
| 76 | M | 74.3 | Confident | 85.4 | Confident | 21 Ų | 21 | 44.9 Ų | 44.9 | 10% | 0.103 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -89.6 | 1.3 | 175 | -68.8 | -72 | -73.2 | 0 | 0 | 112.7 | N73 S74 S78 N81 | N73-M76 HydrophobicContact CB-CB 4.23Å; N73-M76 HydrophobicContact CB-CG 3.99Å; N73-M76 WeakPolarHBondContact O-CB 3.44Å; N73-M76 PolarHBondContact O-N 2.96Å; S74-M76 PolarHBondContact O-N 3.04Å; M76-S78 PolarHBondContact O-N 3.3Å; M76-N81 WeakPolarHBondContact O-CB 3.36Å; M76-N81 PolarHBondContact O-ND2 2.95Å |
| 77 | R | 78.8 | Confident | 85.5 | Confident | 134 Ų | 134 | 44.8 Ų | 44.8 | 51% | 0.506 | 25% | 0.252 | S | S | . | . | trans | -80.4 | 60.9 | -179.8 | -62.5 | 179.6 | -175.1 | 174.1 | 1.7 | 112.3 | F70 I71 S74 | F70-R77 HydrophobicContact CE2-CG 4.42Å; F70-R77 HydrophobicContact CZ-CG 4.46Å; I71-R77 PolarHBondContact O-NH2 3.05Å; S74-R77 WeakPolarHBondContact O-CB 3.47Å; S74-R77 WeakPolarHBondContact O-CG 3.45Å; S74-R77 PolarHBondContact O-N 3.1Å; S74-R77 VanDerWaalsContact O-N 3.13Å | ||
| 78 | S | 81.6 | Confident | 85.7 | Confident | 47 Ų | 47 | 43.4 Ų | 43.4 | 33% | 0.329 | 24% | 0.243 | S | C | . | . | trans | -99.2 | 161.6 | 175.1 | 70.3 | 0 | 0 | 0 | 0 | 111.6 | M76 N81 I82 | M76-S78 PolarHBondContact O-N 3.3Å; S78-N81 PolarHBondContact O-N 2.62Å; S78-N81 VanDerWaalsContact OG-CG 3.23Å; S78-N81 PolarHBondContact OG-ND2 3.44Å; S78-N81 VanDerWaalsContact OG-ND2 3.07Å; S78-I82 WeakPolarHBondContact O-CG1 3.32Å; S78-I82 PolarHBondContact O-N 3.04Å | ||
| 79 | V | 82.4 | Confident | 85.9 | Confident | 18 Ų | 18 | 40.4 Ų | 40.4 | 11% | 0.109 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -51.5 | -50.2 | 179.7 | 173.7 | 0 | 0 | 0 | 0 | 112.9 | N81 I82 F83 T162 | V79-N81 VanDerWaalsContact C-N 3.29Å; V79-N81 PolarHBondContact O-N 3.11Å; V79-I82 PolarHBondContact O-N 3.38Å; V79-F83 HydrophobicContact CG1-CD2 4.27Å; V79-F83 HydrophobicContact CG1-CE2 3.94Å; V79-F83 WeakPolarHBondContact O-CD2 3.48Å; V79-F83 PolarHBondContact O-N 2.83Å; V79-T162 HydrophobicContact CB-CG2 4.3Å; V79-T162 HydrophobicContact CG1-CG2 3.78Å; V79-T162 HydrophobicContact CG2-CG2 4.45Å; V79-T162 VanDerWaalsContact CG2-OG1 3.31Å; V79-T162 WeakPolarHBondContact CG2-OG1 3.37Å |
| 80 | P | 81.8 | Confident | 86.3 | Confident | 19 Ų | 19 | 40.1 Ų | 40.1 | 12% | 0.123 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.5 | -35.2 | 178 | -21.6 | 34.5 | 0 | 0 | 0 | 113 | F83 I84 L139 | P80-F83 PolarHBondContact O-N 3.29Å; P80-I84 WeakPolarHBondContact O-CB 3.46Å; P80-I84 WeakPolarHBondContact O-CD1 3.44Å; P80-I84 VanDerWaalsContact O-CG1 3.25Å; P80-I84 WeakPolarHBondContact O-CG1 3.19Å; P80-I84 PolarHBondContact O-N 3.46Å; P80-L139 HydrophobicContact CB-CD2 4.27Å |
| 81 | N | 86.9 | Confident | 86.8 | Confident | 31 Ų | 31 | 38.1 Ų | 38.1 | 17% | 0.166 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -73.6 | -28.8 | -178 | -67.6 | -13.6 | 0 | 0 | 0 | 112.5 | F70 M76 S78 V79 I84 S85 | F70-N81 HydrophobicContact CD2-CB 4.15Å; F70-N81 HydrophobicContact CE2-CB 4.18Å; M76-N81 WeakPolarHBondContact O-CB 3.36Å; M76-N81 PolarHBondContact O-ND2 2.95Å; S78-N81 PolarHBondContact O-N 2.62Å; S78-N81 VanDerWaalsContact OG-CG 3.23Å; S78-N81 PolarHBondContact OG-ND2 3.44Å; S78-N81 VanDerWaalsContact OG-ND2 3.07Å; V79-N81 VanDerWaalsContact C-N 3.29Å; V79-N81 PolarHBondContact O-N 3.11Å; N81-I84 PolarHBondContact O-N 3.5Å; N81-S85 WeakPolarHBondContact O-CB 3.47Å; N81-S85 PolarHBondContact O-N 3.4Å |
| 82 | I | 89.9 | Confident | 87.3 | Confident | 19 Ų | 19 | 34.9 Ų | 34.9 | 10% | 0.097 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63 | -47.8 | 171 | -66.7 | 163.9 | 0 | 0 | 0 | 109.8 | F70 S78 V79 S85 S86 V159 T162 | F70-I82 HydrophobicContact CE2-CG1 4.06Å; F70-I82 HydrophobicContact CZ-CG1 3.88Å; S78-I82 WeakPolarHBondContact O-CG1 3.32Å; S78-I82 PolarHBondContact O-N 3.04Å; V79-I82 PolarHBondContact O-N 3.38Å; I82-S85 PolarHBondContact O-N 2.99Å; I82-S86 PolarHBondContact O-N 2.83Å; I82-V159 HydrophobicContact CD1-CG1 4.06Å; I82-T162 HydrophobicContact CB-CG2 4Å; I82-T162 HydrophobicContact CD1-CG2 3.87Å; I82-T162 HydrophobicContact CG2-CG2 3.95Å |
| 83 | F | 91.6 | Very high | 87.8 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.009 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.6 | -42.3 | 176.6 | -75.2 | -55.4 | 0 | 0 | 0 | 112.3 | V79 P80 S85 S86 L87 T135 V138 L139 T162 K165 A166 I169 | V79-F83 HydrophobicContact CG1-CD2 4.27Å; V79-F83 HydrophobicContact CG1-CE2 3.94Å; V79-F83 WeakPolarHBondContact O-CD2 3.48Å; V79-F83 PolarHBondContact O-N 2.83Å; P80-F83 PolarHBondContact O-N 3.29Å; F83-S85 VanDerWaalsContact C-N 3.29Å; F83-S85 PolarHBondContact O-N 2.97Å; F83-S86 WeakPolarHBondContact O-CA 3.14Å; F83-S86 VanDerWaalsContact O-CB 3.32Å; F83-S86 WeakPolarHBondContact O-CB 3.42Å; F83-S86 PolarHBondContact O-N 3.45Å; F83-L87 WeakPolarHBondContact O-CG 3.47Å; F83-L87 PolarHBondContact O-N 3.44Å; F83-T135 HydrophobicContact CB-CG2 3.58Å; F83-T135 HydrophobicContact CD1-CG2 3.73Å; F83-T135 HydrophobicContact CG-CG2 3.97Å; F83-V138 HydrophobicContact CE1-CG1 3.93Å; F83-V138 HydrophobicContact CE2-CG1 3.91Å; F83-V138 HydrophobicContact CZ-CB 4.41Å; F83-V138 HydrophobicContact CZ-CG1 3.39Å; F83-L139 HydrophobicContact CB-CD1 3.92Å; F83-L139 HydrophobicContact CB-CD2 3.91Å; F83-L139 HydrophobicContact CB-CG 3.86Å; F83-L139 HydrophobicContact CD2-CD2 3.89Å; F83-L139 HydrophobicContact CD2-CG 4.09Å; F83-L139 HydrophobicContact CG-CD2 4.24Å; F83-L139 HydrophobicContact CG-CG 4.11Å; F83-T162 HydrophobicContact CD2-CG2 4.29Å; F83-T162 HydrophobicContact CE2-CG2 3.77Å; F83-T162 HydrophobicContact CZ-CG2 3.93Å; F83-K165 HydrophobicContact CE1-CB 4.38Å; F83-K165 HydrophobicContact CZ-CB 4.1Å; F83-K165 HydrophobicContact CZ-CD 4.46Å; F83-A166 HydrophobicContact CE1-CB 4.45Å; F83-I169 HydrophobicContact CD1-CD1 4.4Å; F83-I169 HydrophobicContact CE1-CD1 3.89Å |
| 84 | I | 90.7 | Very high | 88.5 | Confident | 23 Ų | 23 | 31.2 Ų | 31.2 | 12% | 0.118 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.1 | -40 | 174 | -71.8 | 161.9 | 0 | 0 | 0 | 111.5 | L66 P80 N81 S86 L87 A88 F276 L329 | L66-I84 HydrophobicContact CD1-CG2 4.01Å; L66-I84 HydrophobicContact CD2-CG2 4.06Å; L66-I84 HydrophobicContact CG-CG2 4.34Å; P80-I84 WeakPolarHBondContact O-CB 3.46Å; P80-I84 WeakPolarHBondContact O-CD1 3.44Å; P80-I84 VanDerWaalsContact O-CG1 3.25Å; P80-I84 WeakPolarHBondContact O-CG1 3.19Å; P80-I84 PolarHBondContact O-N 3.46Å; N81-I84 PolarHBondContact O-N 3.5Å; I84-S86 VanDerWaalsContact C-N 3.32Å; I84-L87 WeakPolarHBondContact O-CB 3.39Å; I84-L87 PolarHBondContact O-N 3Å; I84-A88 PolarHBondContact O-N 3.5Å; I84-A88 VanDerWaalsContact O-N 3.12Å; I84-F276 HydrophobicContact CG1-CE2 4.46Å; I84-L329 HydrophobicContact CD1-CD2 3.93Å; I84-L329 HydrophobicContact CG1-CD2 4.5Å; I84-L329 HydrophobicContact CG2-CD1 3.45Å; I84-L329 VanDerWaalsContact CG2-CD1 3.45Å; I84-L329 HydrophobicContact CG2-CD2 4.26Å; I84-L329 HydrophobicContact CG2-CG 4.47Å |
| 85 | S | 91.3 | Very high | 89.5 | Confident | 17 Ų | 17 | 27.1 Ų | 27.1 | 12% | 0.119 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.6 | -33.3 | 173.9 | -169.7 | 0 | 0 | 0 | 0 | 112.3 | N81 I82 F83 A88 A89 | N81-S85 WeakPolarHBondContact O-CB 3.47Å; N81-S85 PolarHBondContact O-N 3.4Å; I82-S85 PolarHBondContact O-N 2.99Å; F83-S85 VanDerWaalsContact C-N 3.29Å; F83-S85 PolarHBondContact O-N 2.97Å; S85-A88 PolarHBondContact O-N 3.44Å; S85-A89 PolarHBondContact O-N 3.46Å |
| 86 | S | 93.5 | Very high | 90.7 | Very high | 10 Ų | 10 | 27.2 Ų | 27.2 | 7% | 0.07 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.5 | -40.3 | 174 | -173.1 | 0 | 0 | 0 | 0 | 111.8 | I82 F83 I84 A89 G90 W170 | I82-S86 PolarHBondContact O-N 2.83Å; F83-S86 WeakPolarHBondContact O-CA 3.14Å; F83-S86 VanDerWaalsContact O-CB 3.32Å; F83-S86 WeakPolarHBondContact O-CB 3.42Å; F83-S86 PolarHBondContact O-N 3.45Å; I84-S86 VanDerWaalsContact C-N 3.32Å; S86-A89 PolarHBondContact O-N 3.31Å; S86-G90 PolarHBondContact O-N 3.16Å; S86-G90 VanDerWaalsContact O-N 3.15Å; S86-W170 PolarHBondContact OG-NE1 2.93Å |
| 87 | L | 93.8 | Very high | 91.8 | Very high | 6 Ų | 6 | 27.9 Ų | 27.9 | 3% | 0.031 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.3 | -49.6 | 172.3 | -66.2 | 176.4 | 0 | 0 | 0 | 110.7 | F83 I84 A89 G90 D91 S132 T135 L136 | F83-L87 WeakPolarHBondContact O-CG 3.47Å; F83-L87 PolarHBondContact O-N 3.44Å; I84-L87 WeakPolarHBondContact O-CB 3.39Å; I84-L87 PolarHBondContact O-N 3Å; L87-A89 VanDerWaalsContact C-N 3.28Å; L87-A89 PolarHBondContact O-N 3.35Å; L87-G90 PolarHBondContact O-N 3.48Å; L87-G90 VanDerWaalsContact O-N 3.1Å; L87-D91 PolarHBondContact O-N 3.3Å; L87-S132 VanDerWaalsContact CD2-CA 3.5Å; L87-T135 HydrophobicContact CD1-CG2 4.37Å; L87-T135 HydrophobicContact CD2-CG2 3.82Å; L87-T135 HydrophobicContact CG-CG2 3.87Å; L87-L136 HydrophobicContact CD1-CD2 4.43Å |
| 88 | A | 95.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.008 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60 | -36.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | N63 L66 V67 I84 S85 D91 L92 | N63-A88 HydrophobicContact CB-CB 4.25Å; L66-A88 HydrophobicContact CD1-CB 3.99Å; L66-A88 HydrophobicContact CD2-CB 3.6Å; L66-A88 HydrophobicContact CG-CB 4.27Å; V67-A88 HydrophobicContact CG2-CB 3.81Å; I84-A88 PolarHBondContact O-N 3.5Å; I84-A88 VanDerWaalsContact O-N 3.12Å; S85-A88 PolarHBondContact O-N 3.44Å; A88-D91 PolarHBondContact O-N 3.11Å; A88-L92 WeakPolarHBondContact O-CB 3.24Å; A88-L92 WeakPolarHBondContact O-CG 3.39Å; A88-L92 PolarHBondContact O-N 3.44Å |
| 89 | A | 95.6 | Very high | 93.3 | Very high | 40 Ų | 40 | 19.3 Ų | 19.3 | 33% | 0.331 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -66.4 | -40.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S85 S86 L87 L93 W170 | S85-A89 PolarHBondContact O-N 3.46Å; S86-A89 PolarHBondContact O-N 3.31Å; L87-A89 VanDerWaalsContact C-N 3.28Å; L87-A89 PolarHBondContact O-N 3.35Å; A89-L93 PolarHBondContact O-N 3.36Å; A89-L93 VanDerWaalsContact O-N 3.11Å; A89-W170 HydrophobicContact CB-CZ2 3.97Å |
| 90 | G | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.7 | -45.7 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | S86 L87 L92 L93 L94 S128 | S86-G90 PolarHBondContact O-N 3.16Å; S86-G90 VanDerWaalsContact O-N 3.15Å; L87-G90 PolarHBondContact O-N 3.48Å; L87-G90 VanDerWaalsContact O-N 3.1Å; G90-L92 PolarHBondContact O-N 3.33Å; G90-L93 WeakPolarHBondContact O-CB 3.27Å; G90-L93 PolarHBondContact O-N 3.06Å; G90-L94 PolarHBondContact O-N 3.4Å; G90-S128 PolarHBondContact O-OG 2.93Å |
| 91 | D | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.9 | -43.7 | 176.5 | -73.7 | -34.7 | 0 | 0 | 0 | 112.4 | L87 A88 L93 L94 L95 S322 N325 | L87-D91 PolarHBondContact O-N 3.3Å; A88-D91 PolarHBondContact O-N 3.11Å; D91-L93 VanDerWaalsContact C-N 3.33Å; D91-L93 PolarHBondContact O-N 2.98Å; D91-L94 PolarHBondContact O-N 2.92Å; D91-L95 WeakPolarHBondContact O-CB 3.45Å; D91-L95 WeakPolarHBondContact O-CD1 3.43Å; D91-L95 WeakPolarHBondContact O-CG 3.38Å; D91-L95 PolarHBondContact O-N 3.48Å; D91-S322 VanDerWaalsContact OD1-CA 3.3Å; D91-S322 WeakPolarHBondContact OD1-CA 3.05Å; D91-S322 VanDerWaalsContact OD1-CB 3.28Å; D91-S322 WeakPolarHBondContact OD1-CB 3.15Å; D91-S322 PolarHBondContact OD1-OG 3.01Å; D91-N325 PolarHBondContact OD2-ND2 3Å |
| 92 | L | 97.4 | Very high | 94.8 | Very high | 34 Ų | 34 | 19.7 Ų | 19.7 | 18% | 0.178 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.6 | -42.2 | 175.5 | -73.4 | 172.8 | 0 | 0 | 0 | 111.8 | L60 N63 I64 V67 A88 G90 L95 V96 | L60-L92 HydrophobicContact CD2-CD2 3.74Å; N63-L92 HydrophobicContact CB-CD1 4.39Å; N63-L92 HydrophobicContact CB-CD2 3.66Å; N63-L92 HydrophobicContact CB-CG 3.74Å; I64-L92 HydrophobicContact CG1-CD1 4.39Å; I64-L92 HydrophobicContact CG1-CD2 3.74Å; V67-L92 HydrophobicContact CG2-CD1 4.19Å; A88-L92 WeakPolarHBondContact O-CB 3.24Å; A88-L92 WeakPolarHBondContact O-CG 3.39Å; A88-L92 PolarHBondContact O-N 3.44Å; G90-L92 PolarHBondContact O-N 3.33Å; L92-L95 PolarHBondContact O-N 2.94Å; L92-V96 WeakPolarHBondContact O-CB 3.44Å; L92-V96 VanDerWaalsContact O-CG2 3.27Å; L92-V96 WeakPolarHBondContact O-CG2 3.47Å; L92-V96 PolarHBondContact O-N 3.41Å |
| 93 | L | 96.4 | Very high | 95 | Very high | 57 Ų | 57 | 19.5 Ų | 19.5 | 30% | 0.298 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -60 | -49.3 | 176.9 | -179.1 | 62.9 | 0 | 0 | 0 | 110.4 | A89 G90 D91 L95 V96 T97 I124 W170 | A89-L93 PolarHBondContact O-N 3.36Å; A89-L93 VanDerWaalsContact O-N 3.11Å; G90-L93 WeakPolarHBondContact O-CB 3.27Å; G90-L93 PolarHBondContact O-N 3.06Å; D91-L93 VanDerWaalsContact C-N 3.33Å; D91-L93 PolarHBondContact O-N 2.98Å; L93-L95 PolarHBondContact O-N 3.19Å; L93-V96 PolarHBondContact O-N 3.06Å; L93-T97 HydrophobicContact CD1-CG2 4.29Å; L93-T97 PolarHBondContact O-N 2.9Å; L93-T97 VanDerWaalsContact O-N 3.1Å; L93-T97 PolarHBondContact O-OG1 3.03Å; L93-I124 HydrophobicContact CD1-CG2 4.16Å; L93-I124 HydrophobicContact CD2-CG2 3.77Å; L93-I124 HydrophobicContact CG-CG2 3.53Å; L93-W170 HydrophobicContact CD2-CH2 4.36Å; L93-W170 HydrophobicContact CD2-CZ3 4.12Å |
| 94 | L | 96.3 | Very high | 95 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.1 | -45.9 | 177 | -174.6 | 104.3 | 0 | 0 | 0 | 112.7 | G90 D91 C98 V99 Q125 F319 S322 | G90-L94 PolarHBondContact O-N 3.4Å; D91-L94 PolarHBondContact O-N 2.92Å; L94-C98 HydrophobicContact CD1-CB 4.26Å; L94-C98 HydrophobicContact CG-CB 4.26Å; L94-C98 WeakPolarHBondContact O-CB 3.21Å; L94-C98 PolarHBondContact O-N 3.31Å; L94-V99 HydrophobicContact CD2-CG2 4.4Å; L94-V99 PolarHBondContact O-N 3.22Å; L94-V99 VanDerWaalsContact O-N 3.11Å; L94-Q125 HydrophobicContact CD1-CB 4.49Å; L94-Q125 HydrophobicContact CD1-CG 4.15Å; L94-F319 HydrophobicContact CD2-CD1 3.98Å; L94-F319 HydrophobicContact CG-CD1 4.42Å; L94-S322 WeakPolarHBondContact CD2-OG 3.28Å |
| 95 | L | 97.5 | Very high | 94.9 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68.1 | -33.6 | -177.7 | -72.2 | 164.5 | 0 | 0 | 0 | 113.1 | I55 L60 D91 L92 L93 V99 P100 | I55-L95 HydrophobicContact CG2-CD2 3.78Å; L60-L95 HydrophobicContact CD2-CB 3.81Å; L60-L95 HydrophobicContact CD2-CD1 4.34Å; L60-L95 HydrophobicContact CG-CB 4.31Å; D91-L95 WeakPolarHBondContact O-CB 3.45Å; D91-L95 WeakPolarHBondContact O-CD1 3.43Å; D91-L95 WeakPolarHBondContact O-CG 3.38Å; D91-L95 PolarHBondContact O-N 3.48Å; L92-L95 PolarHBondContact O-N 2.94Å; L93-L95 PolarHBondContact O-N 3.19Å; L95-V99 HydrophobicContact CD2-CG2 4.22Å; L95-P100 VanDerWaalsContact O-CD 3.3Å; L95-P100 WeakPolarHBondContact O-CD 3.43Å |
| 96 | V | 97.1 | Very high | 94.8 | Very high | 92 Ų | 92 | 28 Ų | 28 | 56% | 0.558 | 15% | 0.152 | S | C | * | . | H | α-helix | trans | -80.4 | -32.8 | 179.6 | 172.1 | 0 | 0 | 0 | 0 | 111.7 | L60 L92 L93 | L60-V96 HydrophobicContact CD2-CG2 3.75Å; L92-V96 WeakPolarHBondContact O-CB 3.44Å; L92-V96 VanDerWaalsContact O-CG2 3.27Å; L92-V96 WeakPolarHBondContact O-CG2 3.47Å; L92-V96 PolarHBondContact O-N 3.41Å; L93-V96 PolarHBondContact O-N 3.06Å |
| 97 | T | 95.9 | Very high | 94.6 | Very high | 34 Ų | 34 | 32.1 Ų | 32.1 | 21% | 0.209 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -108.7 | -57.3 | -173.2 | 64.2 | 0 | 0 | 0 | 0 | 113.5 | L93 V101 I124 | L93-T97 HydrophobicContact CD1-CG2 4.29Å; L93-T97 PolarHBondContact O-N 2.9Å; L93-T97 VanDerWaalsContact O-N 3.1Å; L93-T97 PolarHBondContact O-OG1 3.03Å; T97-V101 VanDerWaalsContact O-CG2 3.3Å; T97-V101 WeakPolarHBondContact O-CG2 3.32Å; T97-V101 PolarHBondContact O-N 2.89Å; T97-I124 HydrophobicContact CG2-CD1 4.23Å; T97-I124 WeakPolarHBondContact OG1-CG2 3.47Å |
| 98 | C | 95.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.007 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -76.1 | -43.5 | -168.6 | -60.1 | 0 | 0 | 0 | 0 | 111.9 | L94 V101 D102 F319 | L94-C98 HydrophobicContact CD1-CB 4.26Å; L94-C98 HydrophobicContact CG-CB 4.26Å; L94-C98 WeakPolarHBondContact O-CB 3.21Å; L94-C98 PolarHBondContact O-N 3.31Å; C98-V101 PolarHBondContact O-N 3.4Å; C98-D102 WeakPolarHBondContact O-CB 3.47Å; C98-D102 PolarHBondContact O-N 3.4Å; C98-F319 HydrophobicContact CB-CE1 4.42Å |
| 99 | V | 96.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.8 | -44.7 | -176 | -177 | 0 | 0 | 0 | 0 | 112.1 | Y52 I55 I56 L94 L95 D102 A103 F319 | Y52-V99 HydrophobicContact CD1-CG1 3.49Å; Y52-V99 VanDerWaalsContact CD1-CG1 3.49Å; Y52-V99 WeakPolarHBondContact CD1-O 3.43Å; Y52-V99 HydrophobicContact CE1-CG1 4.08Å; Y52-V99 HydrophobicContact CG-CG1 4.35Å; I55-V99 HydrophobicContact CG2-CG1 4.28Å; I56-V99 HydrophobicContact CD1-CG1 3.92Å; I56-V99 HydrophobicContact CG1-CB 4.16Å; I56-V99 HydrophobicContact CG1-CG1 3.6Å; L94-V99 HydrophobicContact CD2-CG2 4.4Å; L94-V99 PolarHBondContact O-N 3.22Å; L94-V99 VanDerWaalsContact O-N 3.11Å; L95-V99 HydrophobicContact CD2-CG2 4.22Å; V99-D102 PolarHBondContact O-N 3.41Å; V99-A103 WeakPolarHBondContact O-CB 3.38Å; V99-A103 PolarHBondContact O-N 3.49Å; V99-F319 HydrophobicContact CG2-CB 4.18Å; V99-F319 HydrophobicContact CG2-CD1 3.58Å; V99-F319 HydrophobicContact CG2-CE1 4.03Å; V99-F319 HydrophobicContact CG2-CG 3.87Å |
| 100 | P | 95.4 | Very high | 93.1 | Very high | 53 Ų | 53 | 42 Ų | 42 | 34% | 0.344 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -65.5 | -39.1 | 176 | -24 | 36.1 | 0 | 0 | 0 | 113.3 | I56 L95 A103 F104 | I56-P100 HydrophobicContact CD1-CG 4.02Å; L95-P100 VanDerWaalsContact O-CD 3.3Å; L95-P100 WeakPolarHBondContact O-CD 3.43Å; P100-A103 PolarHBondContact O-N 3.35Å; P100-F104 PolarHBondContact O-N 3.02Å |
| 101 | V | 94.5 | Very high | 92.8 | Very high | 15 Ų | 15 | 43.1 Ų | 43.1 | 9% | 0.091 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.7 | -40.3 | 177.8 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | T97 C98 F104 W111 F113 I121 | T97-V101 VanDerWaalsContact O-CG2 3.3Å; T97-V101 WeakPolarHBondContact O-CG2 3.32Å; T97-V101 PolarHBondContact O-N 2.89Å; C98-V101 PolarHBondContact O-N 3.4Å; V101-F104 PolarHBondContact O-N 2.92Å; V101-W111 HydrophobicContact CG1-CH2 3.65Å; V101-W111 HydrophobicContact CG1-CZ3 3.86Å; V101-F113 HydrophobicContact CB-CE2 4.36Å; V101-F113 HydrophobicContact CG1-CD2 3.92Å; V101-F113 HydrophobicContact CG1-CE2 3.83Å; V101-F113 HydrophobicContact CG1-CZ 4.46Å; V101-F113 HydrophobicContact CG2-CD1 4.47Å; V101-F113 HydrophobicContact CG2-CE1 4.25Å; V101-F113 HydrophobicContact CG2-CE2 4.32Å; V101-F113 HydrophobicContact CG2-CZ 4.17Å; V101-I121 HydrophobicContact CB-CD1 4.24Å; V101-I121 HydrophobicContact CB-CG1 4.46Å; V101-I121 HydrophobicContact CG1-CG1 4.18Å; V101-I121 HydrophobicContact CG1-CG2 4.2Å; V101-I121 HydrophobicContact CG2-CD1 3.79Å; V101-I121 HydrophobicContact CG2-CG1 4.23Å |
| 102 | D | 93.4 | Very high | 92.6 | Very high | 9 Ų | 9 | 47 Ų | 47 | 5% | 0.048 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.9 | -37.4 | 175.6 | -161.8 | 74.1 | 0 | 0 | 0 | 111.6 | Y52 C98 V99 F104 R105 F319 | Y52-D102 HydrophobicContact CE1-CB 4.18Å; Y52-D102 PolarHBondContact OH-OD2 3.34Å; C98-D102 WeakPolarHBondContact O-CB 3.47Å; C98-D102 PolarHBondContact O-N 3.4Å; V99-D102 PolarHBondContact O-N 3.41Å; D102-F104 VanDerWaalsContact C-N 3.26Å; D102-F104 PolarHBondContact O-N 2.98Å; D102-R105 VanDerWaalsContact O-CB 3.28Å; D102-R105 WeakPolarHBondContact O-CB 3.01Å; D102-R105 PolarHBondContact O-N 3.37Å; D102-R105 VanDerWaalsContact O-N 3.16Å; D102-R105 WeakPolarHBondContact OD1-CD 3.34Å; D102-R105 IonicContact OD1-CZ 3.85Å; D102-R105 IonicContact OD1-NE 2.62Å; D102-R105 IonicContact OD1-NH1 2.72Å; D102-R105 PolarHBondContact OD1-NH1 2.91Å; D102-F319 HydrophobicContact CB-CE2 3.88Å; D102-F319 HydrophobicContact CB-CZ 3.85Å; D102-F319 WeakPolarHBondContact OD2-CE2 3.37Å |
| 103 | A | 93.8 | Very high | 92.3 | Very high | 15 Ų | 15 | 49.1 Ų | 49.1 | 12% | 0.124 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.5 | -36.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y52 V99 P100 R105 Y106 F107 | Y52-A103 HydrophobicContact CD1-CB 3.59Å; Y52-A103 HydrophobicContact CE1-CB 4.29Å; Y52-A103 HydrophobicContact CG-CB 4.01Å; V99-A103 WeakPolarHBondContact O-CB 3.38Å; V99-A103 PolarHBondContact O-N 3.49Å; P100-A103 PolarHBondContact O-N 3.35Å; A103-R105 PolarHBondContact O-N 2.94Å; A103-Y106 VanDerWaalsContact O-CD2 3.3Å; A103-Y106 WeakPolarHBondContact O-CD2 3.34Å; A103-Y106 PolarHBondContact O-N 3.19Å; A103-Y106 VanDerWaalsContact O-N 3.13Å; A103-F107 WeakPolarHBondContact O-CD2 3.23Å |
| 104 | F | 92.4 | Very high | 92.1 | Very high | 73 Ų | 73 | 48.1 Ų | 48.1 | 32% | 0.32 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.6 | -22.4 | -179.7 | -170.6 | -96.6 | 0 | 0 | 0 | 113.1 | P100 V101 D102 Y106 F107 S108 V112 F113 | P100-F104 PolarHBondContact O-N 3.02Å; V101-F104 PolarHBondContact O-N 2.92Å; D102-F104 VanDerWaalsContact C-N 3.26Å; D102-F104 PolarHBondContact O-N 2.98Å; F104-Y106 PolarHBondContact O-N 2.67Å; F104-Y106 VanDerWaalsContact O-N 3.1Å; F104-F107 HydrophobicContact CD2-CB 4.42Å; F104-F107 HydrophobicContact CE2-CB 4.45Å; F104-F107 WeakPolarHBondContact O-CB 3.44Å; F104-F107 PolarHBondContact O-N 3.36Å; F104-S108 PolarHBondContact O-N 3.23Å; F104-S108 VanDerWaalsContact O-N 3.07Å; F104-V112 HydrophobicContact CD1-CG2 4.04Å; F104-V112 HydrophobicContact CE1-CB 4.38Å; F104-V112 HydrophobicContact CE1-CG1 4.22Å; F104-V112 HydrophobicContact CE1-CG2 3.27Å; F104-V112 HydrophobicContact CZ-CG2 3.75Å; F104-F113 HydrophobicContact CB-CE2 3.9Å; F104-F113 HydrophobicContact CB-CZ 3.67Å; F104-F113 AromaticContact CD1-CE2 3.52Å; F104-F113 HydrophobicContact CD1-CE2 3.52Å; F104-F113 AromaticContact CD1-CZ 3.64Å; F104-F113 HydrophobicContact CD1-CZ 3.64Å; F104-F113 HydrophobicContact CD2-CZ 4.29Å; F104-F113 HydrophobicContact CE1-CE2 4.32Å; F104-F113 HydrophobicContact CE1-CZ 4.38Å; F104-F113 AromaticContact CG-CE2 3.88Å; F104-F113 HydrophobicContact CG-CE2 3.88Å; F104-F113 AromaticContact CG-CZ 3.59Å; F104-F113 HydrophobicContact CG-CZ 3.59Å |
| 105 | R | 88.7 | Confident | 91.9 | Very high | 111 Ų | 111 | 53.3 Ų | 53.3 | 42% | 0.419 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -15.5 | 175.2 | -61.8 | 176.1 | 166.2 | 173 | -9.1 | 113.7 | D102 A103 | D102-R105 VanDerWaalsContact O-CB 3.28Å; D102-R105 WeakPolarHBondContact O-CB 3.01Å; D102-R105 PolarHBondContact O-N 3.37Å; D102-R105 VanDerWaalsContact O-N 3.16Å; D102-R105 WeakPolarHBondContact OD1-CD 3.34Å; D102-R105 IonicContact OD1-CZ 3.85Å; D102-R105 IonicContact OD1-NE 2.62Å; D102-R105 IonicContact OD1-NH1 2.72Å; D102-R105 PolarHBondContact OD1-NH1 2.91Å; A103-R105 PolarHBondContact O-N 2.94Å |
| 106 | Y | 88.7 | Confident | 91.7 | Very high | 36 Ų | 36 | 57 Ų | 57 | 14% | 0.141 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -9.7 | 172.9 | -60 | -71.8 | 0 | 0 | 0 | 113.2 | V44 R45 M48 Y52 A103 F104 L312 | V44-Y106 HydrophobicContact CG1-CD1 4.34Å; V44-Y106 HydrophobicContact CG1-CE1 4.21Å; R45-Y106 WeakPolarHBondContact CD-O 3.49Å; R45-Y106 WeakPolarHBondContact CG-O 3.38Å; R45-Y106 PolarHBondContact NE-O 3.11Å; M48-Y106 HydrophobicContact CB-CD1 4.22Å; M48-Y106 HydrophobicContact CB-CD2 3.97Å; M48-Y106 HydrophobicContact CB-CE1 3.98Å; M48-Y106 HydrophobicContact CB-CE2 3.74Å; M48-Y106 HydrophobicContact CB-CG 4.22Å; M48-Y106 WeakPolarHBondContact CE-OH 3.36Å; M48-Y106 HydrophobicContact CG-CD1 4.36Å; M48-Y106 HydrophobicContact CG-CE1 3.79Å; M48-Y106 HydrophobicContact CG-CE2 4.29Å; Y52-Y106 HydrophobicContact CE2-CE2 4.02Å; A103-Y106 VanDerWaalsContact O-CD2 3.3Å; A103-Y106 WeakPolarHBondContact O-CD2 3.34Å; A103-Y106 PolarHBondContact O-N 3.19Å; A103-Y106 VanDerWaalsContact O-N 3.13Å; F104-Y106 PolarHBondContact O-N 2.67Å; F104-Y106 VanDerWaalsContact O-N 3.1Å; Y106-L312 HydrophobicContact CE1-CD2 3.98Å |
| 107 | F | 88.6 | Confident | 91.6 | Very high | 96 Ų | 96 | 53.7 Ų | 53.7 | 42% | 0.421 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | -31 | -179.7 | -67 | -96.1 | 0 | 0 | 0 | 112.4 | T49 A103 F104 | T49-F107 HydrophobicContact CG2-CE2 4.24Å; T49-F107 HydrophobicContact CG2-CZ 3.81Å; T49-F107 WeakPolarHBondContact OG1-CE2 3.05Å; T49-F107 VanDerWaalsContact OG1-CZ 3.3Å; T49-F107 WeakPolarHBondContact OG1-CZ 3.34Å; A103-F107 WeakPolarHBondContact O-CD2 3.23Å; F104-F107 HydrophobicContact CD2-CB 4.42Å; F104-F107 HydrophobicContact CE2-CB 4.45Å; F104-F107 WeakPolarHBondContact O-CB 3.44Å; F104-F107 PolarHBondContact O-N 3.36Å |
| 108 | S | 86.8 | Confident | 91.5 | Very high | 30 Ų | 30 | 52 Ų | 52 | 21% | 0.21 | 28% | 0.277 | C | S | . | . | trans | -130.4 | 130.6 | -179.8 | -177.2 | 0 | 0 | 0 | 0 | 110.1 | F104 E110 | F104-S108 PolarHBondContact O-N 3.23Å; F104-S108 VanDerWaalsContact O-N 3.07Å; S108-E110 PolarHBondContact OG-N 3.17Å; S108-E110 VanDerWaalsContact OG-N 3.15Å; S108-E110 PolarHBondContact OG-O 3.35Å | ||
| 109 | E | 80.5 | Confident | 91.4 | Very high | 141 Ų | 141 | 55.3 Ų | 55.3 | 66% | 0.659 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -76.3 | -18.2 | 169.5 | -64.4 | 176.6 | 178.5 | 0 | 0 | 111.5 | N202 | E109-N202 PolarHBondContact O-OD1 3.39Š|
| 110 | E | 87.3 | Confident | 91.3 | Very high | 84 Ų | 84 | 60 Ų | 60 | 39% | 0.393 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -100.9 | 149.3 | 179.7 | -65.5 | -177.6 | -179.1 | 0 | 0 | 112.8 | S108 V112 F200 V201 | S108-E110 PolarHBondContact OG-N 3.17Å; S108-E110 VanDerWaalsContact OG-N 3.15Å; S108-E110 PolarHBondContact OG-O 3.35Å; E110-V112 PolarHBondContact O-N 2.98Å; E110-F200 HydrophobicContact CG-CB 4.5Å; E110-F200 HydrophobicContact CG-CD1 3.95Å; E110-F200 WeakPolarHBondContact OE1-CD1 3.44Å; E110-V201 WeakPolarHBondContact CA-O 3.41Å |
| 111 | W | 89.8 | Confident | 91.3 | Very high | 23 Ų | 23 | 58.4 Ų | 58.4 | 9% | 0.087 | 30% | 0.304 | C | S | . | . | trans | -80.4 | 103.5 | 173.3 | -176.6 | -95.9 | 0 | 0 | 0 | 111.9 | V101 F113 G114 A117 C118 V201 C203 | V101-W111 HydrophobicContact CG1-CH2 3.65Å; V101-W111 HydrophobicContact CG1-CZ3 3.86Å; W111-F113 HydrophobicContact CD2-CD2 4.46Å; W111-F113 HydrophobicContact CE3-CD2 4.3Å; W111-F113 HydrophobicContact CH2-CB 4.39Å; W111-F113 HydrophobicContact CH2-CD2 4.05Å; W111-F113 HydrophobicContact CZ2-CB 3.74Å; W111-F113 HydrophobicContact CZ2-CD2 4.17Å; W111-F113 HydrophobicContact CZ2-CG 4.41Å; W111-F113 HydrophobicContact CZ3-CD2 4.1Å; W111-G114 PolarHBondContact NE1-O 2.91Å; W111-A117 HydrophobicContact CZ2-CB 3.83Å; W111-C118 HydrophobicContact CZ2-CB 4.01Å; W111-V201 PolarHBondContact N-O 3.15Å; W111-C203 HydrophobicContact CB-CB 4.24Å; W111-C203 HydrophobicContact CD2-CB 3.43Å; W111-C203 VanDerWaalsContact CD2-CB 3.43Å; W111-C203 HydrophobicContact CE3-CB 3.73Å; W111-C203 HydrophobicContact CG-CB 3.65Å; W111-C203 HydrophobicContact CZ2-CB 4.39Å; W111-C203 HydrophobicContact CZ3-CB 4.31Å | ||
| 112 | V | 92.1 | Very high | 91.2 | Very high | 82 Ų | 82 | 58.9 Ų | 58.9 | 50% | 0.497 | 31% | 0.307 | S | S | . | . | trans | -97.8 | -8.3 | -176.2 | -54.7 | 0 | 0 | 0 | 0 | 114.8 | F104 E110 G114 | F104-V112 HydrophobicContact CD1-CG2 4.04Å; F104-V112 HydrophobicContact CE1-CB 4.38Å; F104-V112 HydrophobicContact CE1-CG1 4.22Å; F104-V112 HydrophobicContact CE1-CG2 3.27Å; F104-V112 HydrophobicContact CZ-CG2 3.75Å; E110-V112 PolarHBondContact O-N 2.98Å; V112-G114 VanDerWaalsContact C-N 3.27Å; V112-G114 PolarHBondContact O-N 3.43Å | ||
| 113 | F | 91.9 | Very high | 91.4 | Very high | 78 Ų | 78 | 59.4 Ų | 59.4 | 34% | 0.342 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -84.3 | 1.5 | -172.5 | -59.1 | -77.5 | 0 | 0 | 0 | 114.1 | V101 F104 W111 A117 | V101-F113 HydrophobicContact CB-CE2 4.36Å; V101-F113 HydrophobicContact CG1-CD2 3.92Å; V101-F113 HydrophobicContact CG1-CE2 3.83Å; V101-F113 HydrophobicContact CG1-CZ 4.46Å; V101-F113 HydrophobicContact CG2-CD1 4.47Å; V101-F113 HydrophobicContact CG2-CE1 4.25Å; V101-F113 HydrophobicContact CG2-CE2 4.32Å; V101-F113 HydrophobicContact CG2-CZ 4.17Å; F104-F113 HydrophobicContact CB-CE2 3.9Å; F104-F113 HydrophobicContact CB-CZ 3.67Å; F104-F113 AromaticContact CD1-CE2 3.52Å; F104-F113 HydrophobicContact CD1-CE2 3.52Å; F104-F113 AromaticContact CD1-CZ 3.64Å; F104-F113 HydrophobicContact CD1-CZ 3.64Å; F104-F113 HydrophobicContact CD2-CZ 4.29Å; F104-F113 HydrophobicContact CE1-CE2 4.32Å; F104-F113 HydrophobicContact CE1-CZ 4.38Å; F104-F113 AromaticContact CG-CE2 3.88Å; F104-F113 HydrophobicContact CG-CE2 3.88Å; F104-F113 AromaticContact CG-CZ 3.59Å; F104-F113 HydrophobicContact CG-CZ 3.59Å; W111-F113 HydrophobicContact CD2-CD2 4.46Å; W111-F113 HydrophobicContact CE3-CD2 4.3Å; W111-F113 HydrophobicContact CH2-CB 4.39Å; W111-F113 HydrophobicContact CH2-CD2 4.05Å; W111-F113 HydrophobicContact CZ2-CB 3.74Å; W111-F113 HydrophobicContact CZ2-CD2 4.17Å; W111-F113 HydrophobicContact CZ2-CG 4.41Å; W111-F113 HydrophobicContact CZ3-CD2 4.1Å; F113-A117 HydrophobicContact CB-CB 3.48Å; F113-A117 VanDerWaalsContact CB-CB 3.48Å; F113-A117 VanDerWaalsContact O-CB 3.29Å; F113-A117 WeakPolarHBondContact O-CB 3.24Å |
| 114 | G | 92 | Very high | 91.5 | Very high | 36 Ų | 36 | 59.6 Ų | 59.6 | 37% | 0.371 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | 74.2 | 176.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | W111 V112 A116 C118 | W111-G114 PolarHBondContact NE1-O 2.91Å; V112-G114 VanDerWaalsContact C-N 3.27Å; V112-G114 PolarHBondContact O-N 3.43Å; G114-A116 PolarHBondContact O-N 2.93Å; G114-C118 PolarHBondContact O-N 3Å |
| 115 | E | 91.7 | Very high | 91.7 | Very high | 110 Ų | 110 | 58.4 Ų | 58.4 | 51% | 0.514 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.4 | -39.3 | -174.2 | -171 | -177.4 | 167.6 | 0 | 0 | 112.9 | A117 C118 K119 V186 | E115-A117 PolarHBondContact O-N 3.24Å; E115-C118 WeakPolarHBondContact O-CB 3.3Å; E115-C118 PolarHBondContact O-N 2.88Å; E115-C118 VanDerWaalsContact O-N 3.07Å; E115-K119 HydrophobicContact CG-CD 4.49Å; E115-K119 PolarHBondContact O-N 3.18Å; E115-K119 VanDerWaalsContact O-N 3.1Å; E115-K119 WeakPolarHBondContact OE1-CE 3.43Å; E115-K119 IonicContact OE1-NZ 3.91Å; E115-K119 PolarHBondContact OE1-NZ 3.43Å; E115-V186 HydrophobicContact CB-CG2 4.16Å; E115-V186 HydrophobicContact CG-CG2 4.34Å |
| 116 | A | 93.8 | Very high | 92 | Very high | 79 Ų | 79 | 53.8 Ų | 53.8 | 65% | 0.653 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -57.9 | -47.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G114 C118 K119 L120 | G114-A116 PolarHBondContact O-N 2.93Å; A116-C118 VanDerWaalsContact C-N 3.33Å; A116-C118 PolarHBondContact O-N 3.46Å; A116-K119 PolarHBondContact O-N 2.66Å; A116-L120 WeakPolarHBondContact O-CB 3.02Å; A116-L120 PolarHBondContact O-N 2.99Å |
| 117 | A | 93.6 | Very high | 92.4 | Very high | 21 Ų | 21 | 52.3 Ų | 52.3 | 17% | 0.174 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.3 | -33.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | W111 F113 E115 K119 L120 I121 | W111-A117 HydrophobicContact CZ2-CB 3.83Å; F113-A117 HydrophobicContact CB-CB 3.48Å; F113-A117 VanDerWaalsContact CB-CB 3.48Å; F113-A117 VanDerWaalsContact O-CB 3.29Å; F113-A117 WeakPolarHBondContact O-CB 3.24Å; E115-A117 PolarHBondContact O-N 3.24Å; A117-K119 PolarHBondContact O-N 3.37Å; A117-L120 PolarHBondContact O-N 2.99Å; A117-I121 HydrophobicContact CB-CG1 4.33Å; A117-I121 WeakPolarHBondContact O-CB 3.25Å; A117-I121 VanDerWaalsContact O-CG1 3.24Å; A117-I121 WeakPolarHBondContact O-CG1 3.27Å; A117-I121 PolarHBondContact O-N 2.93Å |
| 118 | C | 93.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.7 | -34.7 | 177.7 | 178.6 | 0 | 0 | 0 | 0 | 111.4 | W111 G114 E115 A116 P122 S184 V186 C203 | W111-C118 HydrophobicContact CZ2-CB 4.01Å; G114-C118 PolarHBondContact O-N 3Å; E115-C118 WeakPolarHBondContact O-CB 3.3Å; E115-C118 PolarHBondContact O-N 2.88Å; E115-C118 VanDerWaalsContact O-N 3.07Å; A116-C118 VanDerWaalsContact C-N 3.33Å; A116-C118 PolarHBondContact O-N 3.46Å; C118-P122 WeakPolarHBondContact O-CD 3.38Å; C118-P122 WeakPolarHBondContact O-CG 3.27Å; C118-S184 WeakPolarHBondContact O-CB 3.44Å; C118-V186 HydrophobicContact CB-CG2 3.66Å; C118-C203 WeakPolarHBondContact CA-SG 3.37Å; C118-C203 HydrophobicContact CB-CB 3.79Å; C118-C203 WeakPolarHBondContact CB-SG 3.41Å; C118-C203 VanDerWaalsContact SG-CA 3.58Å; C118-C203 WeakPolarHBondContact SG-CB 3.46Å; C118-C203 CovalentContact SG-SG 2.03Å; C118-C203 PolarHBondContact SG-SG 3.4Å |
| 119 | K | 93.9 | Very high | 93.2 | Very high | 69 Ų | 69 | 46.6 Ų | 46.6 | 30% | 0.3 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -84.8 | -40.2 | 175.7 | -62.5 | -176.2 | -179.7 | 179 | 0 | 112.7 | E115 A116 A117 V123 A181 S184 | E115-K119 HydrophobicContact CG-CD 4.49Å; E115-K119 PolarHBondContact O-N 3.18Å; E115-K119 VanDerWaalsContact O-N 3.1Å; E115-K119 WeakPolarHBondContact OE1-CE 3.43Å; E115-K119 IonicContact OE1-NZ 3.91Å; E115-K119 PolarHBondContact OE1-NZ 3.43Å; A116-K119 PolarHBondContact O-N 2.66Å; A117-K119 PolarHBondContact O-N 3.37Å; K119-V123 WeakPolarHBondContact O-CG2 3.47Å; K119-A181 HydrophobicContact CB-CB 4.01Å; K119-A181 WeakPolarHBondContact CD-O 3.24Å; K119-A181 WeakPolarHBondContact CG-O 3.42Å; K119-S184 WeakPolarHBondContact CE-O 3.24Å |
| 120 | L | 94.8 | Very high | 94 | Very high | 99 Ų | 99 | 39.9 Ų | 39.9 | 52% | 0.518 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -76.5 | -38.9 | -172 | -174.9 | 62.2 | 0 | 0 | 0 | 113.4 | A116 A117 V123 I124 | A116-L120 WeakPolarHBondContact O-CB 3.02Å; A116-L120 PolarHBondContact O-N 2.99Å; A117-L120 PolarHBondContact O-N 2.99Å; L120-V123 PolarHBondContact O-N 2.95Å; L120-I124 HydrophobicContact CD1-CD1 4.06Å; L120-I124 HydrophobicContact CD1-CG1 4.09Å; L120-I124 HydrophobicContact CD2-CD1 4.13Å; L120-I124 HydrophobicContact CG-CD1 3.67Å; L120-I124 HydrophobicContact CG-CG1 4.15Å; L120-I124 WeakPolarHBondContact O-CG1 3.13Å; L120-I124 PolarHBondContact O-N 3.38Å |
| 121 | I | 95.2 | Very high | 94.5 | Very high | 20 Ų | 20 | 35.9 Ų | 35.9 | 10% | 0.103 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.1 | -46.1 | -174.8 | -66.3 | -69.4 | 0 | 0 | 0 | 112.5 | V101 A117 V123 I124 Q125 | V101-I121 HydrophobicContact CB-CD1 4.24Å; V101-I121 HydrophobicContact CB-CG1 4.46Å; V101-I121 HydrophobicContact CG1-CG1 4.18Å; V101-I121 HydrophobicContact CG1-CG2 4.2Å; V101-I121 HydrophobicContact CG2-CD1 3.79Å; V101-I121 HydrophobicContact CG2-CG1 4.23Å; A117-I121 HydrophobicContact CB-CG1 4.33Å; A117-I121 WeakPolarHBondContact O-CB 3.25Å; A117-I121 VanDerWaalsContact O-CG1 3.24Å; A117-I121 WeakPolarHBondContact O-CG1 3.27Å; A117-I121 PolarHBondContact O-N 2.93Å; I121-V123 VanDerWaalsContact C-N 3.33Å; I121-V123 PolarHBondContact O-N 3.44Å; I121-I124 PolarHBondContact O-N 3.48Å; I121-Q125 WeakPolarHBondContact O-CB 3.18Å; I121-Q125 PolarHBondContact O-N 3.44Å |
| 122 | P | 93.6 | Very high | 94.8 | Very high | 25 Ų | 25 | 35 Ų | 35 | 16% | 0.162 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.8 | -41 | 172.9 | -26.3 | 37.1 | 0 | 0 | 0 | 112.9 | C118 Q125 L126 E180 | C118-P122 WeakPolarHBondContact O-CD 3.38Å; C118-P122 WeakPolarHBondContact O-CG 3.27Å; P122-Q125 PolarHBondContact O-N 3.31Å; P122-L126 WeakPolarHBondContact O-CB 3.39Å; P122-L126 PolarHBondContact O-N 3.17Å; P122-E180 HydrophobicContact CB-CB 3.96Å; P122-E180 HydrophobicContact CB-CG 4.41Å |
| 123 | V | 95.7 | Very high | 95.1 | Very high | 20 Ų | 20 | 31.1 Ų | 31.1 | 12% | 0.121 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.2 | -47.3 | 177.1 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | K119 L120 I121 Q125 L126 T127 A177 E180 A181 | K119-V123 WeakPolarHBondContact O-CG2 3.47Å; L120-V123 PolarHBondContact O-N 2.95Å; I121-V123 VanDerWaalsContact C-N 3.33Å; I121-V123 PolarHBondContact O-N 3.44Å; V123-Q125 VanDerWaalsContact C-N 3.33Å; V123-Q125 PolarHBondContact O-N 3.19Å; V123-L126 PolarHBondContact O-N 2.83Å; V123-T127 WeakPolarHBondContact O-CB 3.07Å; V123-T127 PolarHBondContact O-N 2.96Å; V123-T127 PolarHBondContact O-OG1 2.92Å; V123-A177 HydrophobicContact CG1-CB 4.09Å; V123-E180 HydrophobicContact CG2-CB 4.35Å; V123-A181 HydrophobicContact CG2-CB 3.41Å; V123-A181 VanDerWaalsContact CG2-CB 3.41Å |
| 124 | I | 96.6 | Very high | 95.4 | Very high | 18 Ų | 18 | 28.7 Ų | 28.7 | 9% | 0.092 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.4 | -44.6 | 178.6 | -69 | 172 | 0 | 0 | 0 | 110.4 | L93 T97 L120 I121 L126 T127 S128 | L93-I124 HydrophobicContact CD1-CG2 4.16Å; L93-I124 HydrophobicContact CD2-CG2 3.77Å; L93-I124 HydrophobicContact CG-CG2 3.53Å; T97-I124 HydrophobicContact CG2-CD1 4.23Å; T97-I124 WeakPolarHBondContact OG1-CG2 3.47Å; L120-I124 HydrophobicContact CD1-CD1 4.06Å; L120-I124 HydrophobicContact CD1-CG1 4.09Å; L120-I124 HydrophobicContact CD2-CD1 4.13Å; L120-I124 HydrophobicContact CG-CD1 3.67Å; L120-I124 HydrophobicContact CG-CG1 4.15Å; L120-I124 WeakPolarHBondContact O-CG1 3.13Å; L120-I124 PolarHBondContact O-N 3.38Å; I121-I124 PolarHBondContact O-N 3.48Å; I124-L126 PolarHBondContact O-N 3.06Å; I124-T127 PolarHBondContact O-N 3.1Å; I124-S128 PolarHBondContact O-N 3.12Å |
| 125 | Q | 96 | Very high | 95.6 | Very high | 49 Ų | 49 | 27 Ų | 27 | 23% | 0.229 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.5 | -51.8 | 179.1 | -177.3 | 174.2 | -2.4 | 0 | 0 | 110.8 | L94 I121 P122 V123 T127 S128 V129 | L94-Q125 HydrophobicContact CD1-CB 4.49Å; L94-Q125 HydrophobicContact CD1-CG 4.15Å; I121-Q125 WeakPolarHBondContact O-CB 3.18Å; I121-Q125 PolarHBondContact O-N 3.44Å; P122-Q125 PolarHBondContact O-N 3.31Å; V123-Q125 VanDerWaalsContact C-N 3.33Å; V123-Q125 PolarHBondContact O-N 3.19Å; Q125-T127 VanDerWaalsContact C-N 3.34Å; Q125-T127 PolarHBondContact O-N 3.15Å; Q125-S128 WeakPolarHBondContact O-CB 3.41Å; Q125-S128 PolarHBondContact O-N 2.92Å; Q125-V129 WeakPolarHBondContact O-CG2 3.37Å; Q125-V129 PolarHBondContact O-N 3.46Å; Q125-V129 VanDerWaalsContact O-N 3.1Å |
| 126 | L | 95.6 | Very high | 95.8 | Very high | 14 Ų | 14 | 22 Ų | 22 | 7% | 0.073 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -69.3 | -33.7 | -177.8 | -167.6 | 58.5 | 0 | 0 | 0 | 112.1 | P122 V123 I124 S128 V129 G130 A177 E180 I221 Y225 | P122-L126 WeakPolarHBondContact O-CB 3.39Å; P122-L126 PolarHBondContact O-N 3.17Å; V123-L126 PolarHBondContact O-N 2.83Å; I124-L126 PolarHBondContact O-N 3.06Å; L126-S128 VanDerWaalsContact C-N 3.35Å; L126-S128 PolarHBondContact O-N 3.38Å; L126-V129 PolarHBondContact O-N 2.89Å; L126-G130 PolarHBondContact O-N 3.38Å; L126-A177 HydrophobicContact CB-CB 3.96Å; L126-A177 HydrophobicContact CD2-CB 4.21Å; L126-A177 HydrophobicContact CG-CB 4.18Å; L126-E180 HydrophobicContact CD2-CG 3.66Å; L126-I221 HydrophobicContact CD1-CG2 4.21Å; L126-I221 HydrophobicContact CD2-CD1 4.22Å; L126-I221 HydrophobicContact CD2-CG1 4.36Å; L126-Y225 HydrophobicContact CD1-CD1 3.98Å; L126-Y225 HydrophobicContact CD1-CD2 3.69Å; L126-Y225 HydrophobicContact CD1-CE1 3.88Å; L126-Y225 HydrophobicContact CD1-CE2 3.6Å; L126-Y225 HydrophobicContact CD1-CG 3.87Å; L126-Y225 HydrophobicContact CD2-CE2 3.81Å; L126-Y225 HydrophobicContact CG-CD2 4.35Å; L126-Y225 HydrophobicContact CG-CE1 3.95Å; L126-Y225 HydrophobicContact CG-CE2 3.74Å; L126-Y225 VanDerWaalsContact CG-CZ 3.49Å; L126-Y225 WeakPolarHBondContact O-CE1 3.34Å |
| 127 | T | 96.9 | Very high | 96 | Very high | 5 Ų | 5 | 19.2 Ų | 19.2 | 3% | 0.031 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.1 | -44.8 | 171.1 | -61.7 | 0 | 0 | 0 | 0 | 111 | V123 I124 Q125 V129 G130 V131 W170 V174 | V123-T127 WeakPolarHBondContact O-CB 3.07Å; V123-T127 PolarHBondContact O-N 2.96Å; V123-T127 PolarHBondContact O-OG1 2.92Å; I124-T127 PolarHBondContact O-N 3.1Å; Q125-T127 VanDerWaalsContact C-N 3.34Å; Q125-T127 PolarHBondContact O-N 3.15Å; T127-V129 VanDerWaalsContact C-N 3.35Å; T127-V129 PolarHBondContact O-N 3.11Å; T127-G130 PolarHBondContact O-N 3.29Å; T127-V131 HydrophobicContact CG2-CG2 4.27Å; T127-V131 WeakPolarHBondContact O-CB 3.41Å; T127-V131 WeakPolarHBondContact O-CG2 3.5Å; T127-V131 PolarHBondContact O-N 3.33Å; T127-W170 HydrophobicContact CG2-CE3 4.41Å; T127-W170 HydrophobicContact CG2-CZ3 4.49Å; T127-V174 HydrophobicContact CG2-CG2 3.63Å |
| 128 | S | 96.7 | Very high | 96.1 | Very high | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.014 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.2 | -40.4 | 177.8 | -172.6 | 0 | 0 | 0 | 0 | 112.3 | G90 I124 Q125 L126 S132 | G90-S128 PolarHBondContact O-OG 2.93Å; I124-S128 PolarHBondContact O-N 3.12Å; Q125-S128 WeakPolarHBondContact O-CB 3.41Å; Q125-S128 PolarHBondContact O-N 2.92Å; L126-S128 VanDerWaalsContact C-N 3.35Å; L126-S128 PolarHBondContact O-N 3.38Å; S128-S132 WeakPolarHBondContact O-CB 3.41Å; S128-S132 PolarHBondContact O-N 2.95Å; S128-S132 PolarHBondContact O-OG 2.85Å |
| 129 | V | 96.6 | Very high | 96.1 | Very high | 3 Ų | 3 | 20.2 Ų | 20.2 | 2% | 0.018 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.9 | -46.8 | 173.3 | -179.4 | 0 | 0 | 0 | 0 | 110.8 | Q125 L126 T127 S132 V133 Y225 F280 W284 | Q125-V129 WeakPolarHBondContact O-CG2 3.37Å; Q125-V129 PolarHBondContact O-N 3.46Å; Q125-V129 VanDerWaalsContact O-N 3.1Å; L126-V129 PolarHBondContact O-N 2.89Å; T127-V129 VanDerWaalsContact C-N 3.35Å; T127-V129 PolarHBondContact O-N 3.11Å; V129-S132 WeakPolarHBondContact O-CB 3.3Å; V129-S132 PolarHBondContact O-N 3.01Å; V129-V133 PolarHBondContact O-N 3.49Å; V129-Y225 HydrophobicContact CB-CD1 4.34Å; V129-Y225 HydrophobicContact CG1-CD1 4.02Å; V129-Y225 HydrophobicContact CG1-CG 4.38Å; V129-F280 HydrophobicContact CG1-CE2 4.21Å; V129-F280 HydrophobicContact CG1-CZ 4.09Å; V129-W284 HydrophobicContact CG1-CD2 4.49Å; V129-W284 HydrophobicContact CG1-CE3 4.46Å; V129-W284 HydrophobicContact CG2-CD2 4.04Å; V129-W284 HydrophobicContact CG2-CE3 3.7Å; V129-W284 HydrophobicContact CG2-CH2 3.17Å; V129-W284 HydrophobicContact CG2-CZ2 3.53Å; V129-W284 HydrophobicContact CG2-CZ3 3.25Å |
| 130 | G | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -58.7 | -52.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L126 T127 S132 V133 F134 Y225 | L126-G130 PolarHBondContact O-N 3.38Å; T127-G130 PolarHBondContact O-N 3.29Å; G130-S132 PolarHBondContact O-N 2.61Å; G130-V133 PolarHBondContact O-N 3.11Å; G130-F134 VanDerWaalsContact O-CB 3.27Å; G130-F134 WeakPolarHBondContact O-CB 3.41Å; G130-F134 WeakPolarHBondContact O-CD2 3.2Å; G130-F134 WeakPolarHBondContact O-CG 3.11Å; G130-F134 PolarHBondContact O-N 3.46Å; G130-Y225 VanDerWaalsContact CA-CE1 3.45Å |
| 131 | V | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -56.2 | -41 | 177.7 | 169.8 | 0 | 0 | 0 | 0 | 109.8 | T127 T135 I169 W170 S173 | T127-V131 HydrophobicContact CG2-CG2 4.27Å; T127-V131 WeakPolarHBondContact O-CB 3.41Å; T127-V131 WeakPolarHBondContact O-CG2 3.5Å; T127-V131 PolarHBondContact O-N 3.33Å; V131-T135 WeakPolarHBondContact O-CB 3.34Å; V131-T135 PolarHBondContact O-N 2.96Å; V131-T135 VanDerWaalsContact O-N 3.12Å; V131-T135 PolarHBondContact O-OG1 3.47Å; V131-I169 HydrophobicContact CG2-CG2 4.44Å; V131-W170 HydrophobicContact CG1-CZ2 4.23Å; V131-W170 HydrophobicContact CG2-CD2 3.78Å; V131-W170 HydrophobicContact CG2-CE3 4.14Å; V131-W170 HydrophobicContact CG2-CG 4.04Å; V131-W170 HydrophobicContact CG2-CZ2 4.33Å; V131-S173 PolarHBondContact N-OG 3.26Å; V131-S173 VanDerWaalsContact N-OG 3.1Å |
| 132 | S | 96.5 | Very high | 95.9 | Very high | 6 Ų | 6 | 14.3 Ų | 14.3 | 4% | 0.042 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.8 | -60.5 | 177.7 | -61.4 | 0 | 0 | 0 | 0 | 112.3 | L87 S128 V129 G130 T135 L136 | L87-S132 VanDerWaalsContact CD2-CA 3.5Å; S128-S132 WeakPolarHBondContact O-CB 3.41Å; S128-S132 PolarHBondContact O-N 2.95Å; S128-S132 PolarHBondContact O-OG 2.85Å; V129-S132 WeakPolarHBondContact O-CB 3.3Å; V129-S132 PolarHBondContact O-N 3.01Å; G130-S132 PolarHBondContact O-N 2.61Å; S132-T135 PolarHBondContact O-N 3.37Å; S132-L136 VanDerWaalsContact O-CG 3.31Å; S132-L136 WeakPolarHBondContact O-CG 3.38Å; S132-L136 PolarHBondContact O-N 3.07Å |
| 133 | V | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -70.2 | -40.7 | -171.4 | 77.1 | 0 | 0 | 0 | 0 | 112.5 | V129 G130 T135 L136 T137 P229 F280 | V129-V133 PolarHBondContact O-N 3.49Å; G130-V133 PolarHBondContact O-N 3.11Å; V133-T135 VanDerWaalsContact C-N 3.35Å; V133-T135 PolarHBondContact O-N 2.95Å; V133-L136 WeakPolarHBondContact O-CB 3.16Å; V133-L136 PolarHBondContact O-N 3.19Å; V133-T137 PolarHBondContact O-N 3.35Å; V133-T137 PolarHBondContact O-OG1 3.35Å; V133-P229 HydrophobicContact CB-CB 4.41Å; V133-P229 HydrophobicContact CG1-CB 4.28Å; V133-P229 HydrophobicContact CG1-CG 3.99Å; V133-P229 HydrophobicContact CG2-CB 3.36Å; V133-P229 HydrophobicContact CG2-CG 3.89Å; V133-F280 HydrophobicContact CB-CE1 3.82Å; V133-F280 HydrophobicContact CB-CE2 3.98Å; V133-F280 HydrophobicContact CB-CZ 3.51Å; V133-F280 HydrophobicContact CG1-CZ 4.44Å; V133-F280 HydrophobicContact CG2-CD1 4.05Å; V133-F280 HydrophobicContact CG2-CE1 3.43Å; V133-F280 VanDerWaalsContact CG2-CE1 3.43Å; V133-F280 HydrophobicContact CG2-CE2 4.48Å; V133-F280 HydrophobicContact CG2-CZ 3.7Å |
| 134 | F | 97.9 | Very high | 95.7 | Very high | 27 Ų | 27 | 16.2 Ų | 16.2 | 12% | 0.118 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -69.3 | -34.8 | 178.8 | -58.3 | -34.5 | 0 | 0 | 0 | 111.6 | G130 L136 T137 V138 I169 L172 S173 L176 V224 Y225 P229 | G130-F134 VanDerWaalsContact O-CB 3.27Å; G130-F134 WeakPolarHBondContact O-CB 3.41Å; G130-F134 WeakPolarHBondContact O-CD2 3.2Å; G130-F134 WeakPolarHBondContact O-CG 3.11Å; G130-F134 PolarHBondContact O-N 3.46Å; F134-L136 VanDerWaalsContact C-N 3.34Å; F134-T137 PolarHBondContact O-N 3.49Å; F134-V138 WeakPolarHBondContact O-CG2 3.36Å; F134-V138 PolarHBondContact O-N 2.86Å; F134-I169 HydrophobicContact CB-CG1 4.41Å; F134-I169 HydrophobicContact CB-CG2 3.88Å; F134-L172 HydrophobicContact CD2-CD2 4.37Å; F134-L172 HydrophobicContact CE2-CD2 4.4Å; F134-L172 HydrophobicContact CE2-CG 4.37Å; F134-S173 WeakPolarHBondContact CD2-OG 3.28Å; F134-L176 HydrophobicContact CE2-CD1 3.87Å; F134-L176 HydrophobicContact CZ-CD1 3.72Å; F134-V224 HydrophobicContact CZ-CG1 4.24Å; F134-Y225 HydrophobicContact CE2-CE1 4.28Å; F134-Y225 HydrophobicContact CZ-CD1 4.38Å; F134-Y225 HydrophobicContact CZ-CE1 4.26Å; F134-P229 HydrophobicContact CD1-CG 4.35Å; F134-P229 HydrophobicContact CE1-CG 4.06Å |
| 135 | T | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.9 | -42.1 | 171.2 | -64.7 | 0 | 0 | 0 | 0 | 111.2 | F83 L87 V131 S132 V133 T137 V138 L139 | F83-T135 HydrophobicContact CB-CG2 3.58Å; F83-T135 HydrophobicContact CD1-CG2 3.73Å; F83-T135 HydrophobicContact CG-CG2 3.97Å; L87-T135 HydrophobicContact CD1-CG2 4.37Å; L87-T135 HydrophobicContact CD2-CG2 3.82Å; L87-T135 HydrophobicContact CG-CG2 3.87Å; V131-T135 WeakPolarHBondContact O-CB 3.34Å; V131-T135 PolarHBondContact O-N 2.96Å; V131-T135 VanDerWaalsContact O-N 3.12Å; V131-T135 PolarHBondContact O-OG1 3.47Å; S132-T135 PolarHBondContact O-N 3.37Å; V133-T135 VanDerWaalsContact C-N 3.35Å; V133-T135 PolarHBondContact O-N 2.95Å; T135-T137 VanDerWaalsContact C-N 3.34Å; T135-T137 PolarHBondContact O-N 2.87Å; T135-V138 PolarHBondContact O-N 3.28Å; T135-L139 HydrophobicContact CG2-CD1 3.9Å; T135-L139 HydrophobicContact CG2-CG 4.45Å; T135-L139 WeakPolarHBondContact O-CB 3.42Å; T135-L139 WeakPolarHBondContact O-CG 3.47Å; T135-L139 PolarHBondContact O-N 2.92Å |
| 136 | L | 96 | Very high | 95.1 | Very high | 5 Ų | 5 | 19.1 Ų | 19.1 | 3% | 0.026 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.7 | -37 | 175.3 | -67.7 | 173.5 | 0 | 0 | 0 | 112.5 | L87 S132 V133 F134 L139 S140 I233 F276 V277 F280 | L87-L136 HydrophobicContact CD1-CD2 4.43Å; S132-L136 VanDerWaalsContact O-CG 3.31Å; S132-L136 WeakPolarHBondContact O-CG 3.38Å; S132-L136 PolarHBondContact O-N 3.07Å; V133-L136 WeakPolarHBondContact O-CB 3.16Å; V133-L136 PolarHBondContact O-N 3.19Å; F134-L136 VanDerWaalsContact C-N 3.34Å; L136-L139 HydrophobicContact CD2-CD1 4.33Å; L136-S140 WeakPolarHBondContact O-CB 3.39Å; L136-S140 PolarHBondContact O-N 3.37Å; L136-S140 PolarHBondContact O-OG 3.34Å; L136-I233 HydrophobicContact CB-CD1 4.35Å; L136-F276 HydrophobicContact CD1-CB 4.48Å; L136-F276 HydrophobicContact CD2-CB 3.5Å; L136-F276 VanDerWaalsContact CD2-CB 3.5Å; L136-F276 HydrophobicContact CD2-CD2 4.34Å; L136-F276 HydrophobicContact CD2-CG 4.31Å; L136-V277 HydrophobicContact CB-CG2 4.1Å; L136-V277 HydrophobicContact CD1-CG2 4.37Å; L136-V277 HydrophobicContact CD2-CG2 4.48Å; L136-F280 HydrophobicContact CD1-CB 3.77Å; L136-F280 HydrophobicContact CD1-CG 4.1Å |
| 137 | T | 97.3 | Very high | 94.8 | Very high | 21 Ų | 21 | 18.8 Ų | 18.8 | 13% | 0.129 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.4 | -47.9 | 173.4 | -53.9 | 0 | 0 | 0 | 0 | 111.4 | V133 F134 T135 S140 A141 I232 I233 | V133-T137 PolarHBondContact O-N 3.35Å; V133-T137 PolarHBondContact O-OG1 3.35Å; F134-T137 PolarHBondContact O-N 3.49Å; T135-T137 VanDerWaalsContact C-N 3.34Å; T135-T137 PolarHBondContact O-N 2.87Å; T137-S140 WeakPolarHBondContact O-CB 3.28Å; T137-S140 PolarHBondContact O-N 3.14Å; T137-A141 PolarHBondContact O-N 3.46Å; T137-I232 HydrophobicContact CG2-CB 4.27Å; T137-I232 HydrophobicContact CG2-CG2 3.63Å; T137-I233 HydrophobicContact CG2-CG1 4.43Å |
| 138 | V | 95.6 | Very high | 94.4 | Very high | 39 Ų | 39 | 20 Ų | 20 | 24% | 0.236 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.3 | -40.5 | 178.9 | 172.8 | 0 | 0 | 0 | 0 | 111.7 | F83 F134 T135 S140 A141 D142 K165 I169 | F83-V138 HydrophobicContact CE1-CG1 3.93Å; F83-V138 HydrophobicContact CE2-CG1 3.91Å; F83-V138 HydrophobicContact CZ-CB 4.41Å; F83-V138 HydrophobicContact CZ-CG1 3.39Å; F134-V138 WeakPolarHBondContact O-CG2 3.36Å; F134-V138 PolarHBondContact O-N 2.86Å; T135-V138 PolarHBondContact O-N 3.28Å; V138-S140 VanDerWaalsContact C-N 3.31Å; V138-S140 PolarHBondContact O-N 2.66Å; V138-A141 PolarHBondContact O-N 3.28Å; V138-D142 WeakPolarHBondContact O-CB 3.43Å; V138-D142 PolarHBondContact O-N 3.47Å; V138-K165 HydrophobicContact CG1-CD 4.4Å; V138-I169 HydrophobicContact CB-CD1 4.32Å; V138-I169 HydrophobicContact CG2-CD1 4Å |
| 139 | L | 93.6 | Very high | 93.7 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -57.7 | -45.4 | 171.7 | -83.4 | 163.8 | 0 | 0 | 0 | 110.7 | P80 F83 T135 L136 A141 D142 R143 V273 | P80-L139 HydrophobicContact CB-CD2 4.27Å; F83-L139 HydrophobicContact CB-CD1 3.92Å; F83-L139 HydrophobicContact CB-CD2 3.91Å; F83-L139 HydrophobicContact CB-CG 3.86Å; F83-L139 HydrophobicContact CD2-CD2 3.89Å; F83-L139 HydrophobicContact CD2-CG 4.09Å; F83-L139 HydrophobicContact CG-CD2 4.24Å; F83-L139 HydrophobicContact CG-CG 4.11Å; T135-L139 HydrophobicContact CG2-CD1 3.9Å; T135-L139 HydrophobicContact CG2-CG 4.45Å; T135-L139 WeakPolarHBondContact O-CB 3.42Å; T135-L139 WeakPolarHBondContact O-CG 3.47Å; T135-L139 PolarHBondContact O-N 2.92Å; L136-L139 HydrophobicContact CD2-CD1 4.33Å; L139-A141 PolarHBondContact O-N 3.23Å; L139-D142 PolarHBondContact O-N 3.45Å; L139-R143 VanDerWaalsContact O-CG 3.23Å; L139-R143 WeakPolarHBondContact O-CG 3.37Å; L139-R143 PolarHBondContact O-N 2.89Å; L139-V273 HydrophobicContact CB-CG1 3.86Å; L139-V273 HydrophobicContact CB-CG2 4.04Å; L139-V273 HydrophobicContact CD2-CG2 4.3Å |
| 140 | S | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.9 | -42.1 | 178.8 | -57.8 | 0 | 0 | 0 | 0 | 112 | L136 T137 V138 R143 Y144 Y237 | L136-S140 WeakPolarHBondContact O-CB 3.39Å; L136-S140 PolarHBondContact O-N 3.37Å; L136-S140 PolarHBondContact O-OG 3.34Å; T137-S140 WeakPolarHBondContact O-CB 3.28Å; T137-S140 PolarHBondContact O-N 3.14Å; V138-S140 VanDerWaalsContact C-N 3.31Å; V138-S140 PolarHBondContact O-N 2.66Å; S140-R143 PolarHBondContact O-N 2.95Å; S140-Y144 WeakPolarHBondContact O-CB 3.3Å; S140-Y144 PolarHBondContact O-N 2.87Å; S140-Y237 WeakPolarHBondContact OG-CE2 3.45Å |
| 141 | A | 93.9 | Very high | 90.5 | Very high | 26 Ų | 26 | 36.5 Ų | 36.5 | 22% | 0.215 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.9 | -41.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | T137 V138 L139 Y144 K145 Y236 | T137-A141 PolarHBondContact O-N 3.46Å; V138-A141 PolarHBondContact O-N 3.28Å; L139-A141 PolarHBondContact O-N 3.23Å; A141-Y144 WeakPolarHBondContact O-CB 3.21Å; A141-Y144 PolarHBondContact O-N 2.91Å; A141-K145 PolarHBondContact O-N 3.11Å; A141-Y236 HydrophobicContact CB-CD2 4.26Å; A141-Y236 HydrophobicContact CB-CE1 4.22Å; A141-Y236 HydrophobicContact CB-CE2 3.63Å |
| 142 | D | 90.4 | Very high | 88.4 | Confident | 38 Ų | 38 | 41.5 Ų | 41.5 | 20% | 0.203 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.2 | -42.6 | 175.3 | 170.6 | 80.4 | 0 | 0 | 0 | 111.6 | V138 L139 K145 A146 | V138-D142 WeakPolarHBondContact O-CB 3.43Å; V138-D142 PolarHBondContact O-N 3.47Å; L139-D142 PolarHBondContact O-N 3.45Å; D142-K145 PolarHBondContact O-N 2.89Å; D142-A146 WeakPolarHBondContact O-CB 3.21Å; D142-A146 PolarHBondContact O-N 3.31Å |
| 143 | R | 92.6 | Very high | 86.2 | Confident | 22 Ų | 22 | 48.4 Ų | 48.4 | 8% | 0.083 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.2 | -41 | 173.4 | -65.8 | -54.2 | 85.7 | -169 | 5.1 | 111.9 | L139 S140 A146 I147 I240 A270 V273 | L139-R143 VanDerWaalsContact O-CG 3.23Å; L139-R143 WeakPolarHBondContact O-CG 3.37Å; L139-R143 PolarHBondContact O-N 2.89Å; S140-R143 PolarHBondContact O-N 2.95Å; R143-A146 PolarHBondContact O-N 2.88Å; R143-I147 WeakPolarHBondContact O-CG1 3.38Å; R143-I147 PolarHBondContact O-N 3.46Å; R143-I240 HydrophobicContact CB-CD1 4.44Å; R143-A270 HydrophobicContact CB-CB 4.15Å; R143-A270 HydrophobicContact CG-CB 4.31Å; R143-V273 HydrophobicContact CG-CB 4.47Å; R143-V273 HydrophobicContact CG-CG2 4.03Å |
| 144 | Y | 93.3 | Very high | 84.1 | Confident | 63 Ų | 63 | 55.9 Ų | 55.9 | 25% | 0.247 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.2 | -52.5 | 173.6 | 166.9 | -98.2 | 0 | 0 | 0 | 111.3 | S140 A141 A146 I147 V148 Y236 H239 I240 | S140-Y144 WeakPolarHBondContact O-CB 3.3Å; S140-Y144 PolarHBondContact O-N 2.87Å; A141-Y144 WeakPolarHBondContact O-CB 3.21Å; A141-Y144 PolarHBondContact O-N 2.91Å; Y144-A146 VanDerWaalsContact C-N 3.33Å; Y144-A146 PolarHBondContact O-N 3.04Å; Y144-I147 PolarHBondContact O-N 2.92Å; Y144-V148 HydrophobicContact CD2-CB 4.32Å; Y144-V148 HydrophobicContact CD2-CG2 3.6Å; Y144-V148 HydrophobicContact CE2-CB 3.97Å; Y144-V148 HydrophobicContact CE2-CG1 4.17Å; Y144-V148 HydrophobicContact CE2-CG2 3.47Å; Y144-V148 VanDerWaalsContact CE2-CG2 3.47Å; Y144-V148 HydrophobicContact CG-CG2 4.43Å; Y144-V148 WeakPolarHBondContact O-CB 3.33Å; Y144-V148 WeakPolarHBondContact O-CG2 3.49Å; Y144-V148 PolarHBondContact O-N 2.9Å; Y144-Y236 AromaticContact CD1-CD1 3.87Å; Y144-Y236 HydrophobicContact CD1-CD1 3.87Å; Y144-Y236 HydrophobicContact CD1-CE1 4.02Å; Y144-Y236 HydrophobicContact CD2-CD1 4.2Å; Y144-Y236 AromaticContact CG-CD1 3.67Å; Y144-Y236 HydrophobicContact CG-CD1 3.67Å; Y144-Y236 HydrophobicContact CG-CE1 4.3Å; Y144-H239 HydrophobicContact CD2-CB 4.04Å; Y144-H239 HydrophobicContact CE2-CB 3.57Å; Y144-I240 HydrophobicContact CD2-CG1 4.09Å |
| 145 | K | 90.3 | Very high | 82.1 | Confident | 107 Ų | 107 | 58.6 Ų | 58.6 | 47% | 0.465 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -57.4 | -47.1 | 179.5 | -173.8 | 178.6 | 176.5 | -176.5 | 0 | 111.1 | A141 D142 I147 N149 D152 | A141-K145 PolarHBondContact O-N 3.11Å; D142-K145 PolarHBondContact O-N 2.89Å; K145-I147 VanDerWaalsContact C-N 3.33Å; K145-I147 PolarHBondContact O-N 3.39Å; K145-N149 CarbonylContact O-C 3.33Å; K145-N149 PolarHBondContact O-N 2.94Å; K145-N149 VanDerWaalsContact O-O 3.05Å; K145-D152 WeakPolarHBondContact CE-OD2 3.09Å; K145-D152 IonicContact NZ-OD2 3.13Å; K145-D152 PolarHBondContact NZ-OD2 2.87Å |
| 146 | A | 88.4 | Confident | 80.3 | Confident | 22 Ų | 22 | 64.9 Ų | 64.9 | 18% | 0.182 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.2 | -32.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | D142 R143 Y144 R266 | D142-A146 WeakPolarHBondContact O-CB 3.21Å; D142-A146 PolarHBondContact O-N 3.31Å; R143-A146 PolarHBondContact O-N 2.88Å; Y144-A146 VanDerWaalsContact C-N 3.33Å; Y144-A146 PolarHBondContact O-N 3.04Å; A146-R266 WeakPolarHBondContact O-CD 3.47Å; A146-R266 PolarHBondContact O-NH1 3.13Å |
| 147 | I | 90.3 | Very high | 79.2 | Confident | 6 Ų | 6 | 66.8 Ų | 66.8 | 3% | 0.031 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -87.9 | -42.5 | -177.9 | -67.6 | 169.4 | 0 | 0 | 0 | 111.6 | R143 Y144 K145 I240 L244 M263 R266 A270 | R143-I147 WeakPolarHBondContact O-CG1 3.38Å; R143-I147 PolarHBondContact O-N 3.46Å; Y144-I147 PolarHBondContact O-N 2.92Å; K145-I147 VanDerWaalsContact C-N 3.33Å; K145-I147 PolarHBondContact O-N 3.39Å; I147-I240 HydrophobicContact CD1-CG2 3.89Å; I147-I240 HydrophobicContact CG2-CG2 4.36Å; I147-L244 HydrophobicContact CG2-CD2 3.68Å; I147-L244 HydrophobicContact CG2-CG 4.08Å; I147-M263 HydrophobicContact CG2-SD 4.47Å; I147-R266 HydrophobicContact CG1-CB 3.92Å; I147-A270 HydrophobicContact CD1-CB 3.72Å |
| 148 | V | 88.1 | Confident | 78.3 | Confident | 31 Ų | 31 | 66.9 Ų | 66.9 | 19% | 0.188 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -84 | -38.8 | -172.5 | -179.9 | 0 | 0 | 0 | 0 | 112.1 | Y144 P150 T243 | Y144-V148 HydrophobicContact CD2-CB 4.32Å; Y144-V148 HydrophobicContact CD2-CG2 3.6Å; Y144-V148 HydrophobicContact CE2-CB 3.97Å; Y144-V148 HydrophobicContact CE2-CG1 4.17Å; Y144-V148 HydrophobicContact CE2-CG2 3.47Å; Y144-V148 VanDerWaalsContact CE2-CG2 3.47Å; Y144-V148 HydrophobicContact CG-CG2 4.43Å; Y144-V148 WeakPolarHBondContact O-CB 3.33Å; Y144-V148 WeakPolarHBondContact O-CG2 3.49Å; Y144-V148 PolarHBondContact O-N 2.9Å; V148-P150 WeakPolarHBondContact O-CD 3.41Å; V148-T243 HydrophobicContact CG1-CG2 4.41Å; V148-T243 HydrophobicContact CG2-CG2 4.11Å |
| 149 | N | 81.3 | Confident | 77.7 | Confident | 100 Ų | 100 | 68.5 Ų | 68.5 | 54% | 0.535 | 38% | 0.379 | S | S | . | . | trans | -122 | 78.5 | 179.3 | -70.2 | -26.5 | 0 | 0 | 0 | 109.8 | K145 M151 | K145-N149 CarbonylContact O-C 3.33Å; K145-N149 PolarHBondContact O-N 2.94Å; K145-N149 VanDerWaalsContact O-O 3.05Å; N149-M151 PolarHBondContact O-N 3Å | ||
| 150 | P | 71.3 | Confident | 77.4 | Confident | 72 Ų | 72 | 74.9 Ų | 74.9 | 47% | 0.468 | 41% | 0.407 | S | S | . | . | trans | -67.8 | -6.6 | -174.5 | 28.7 | -36.6 | 0 | 0 | 0 | 114.4 | V148 D152 | V148-P150 WeakPolarHBondContact O-CD 3.41Å; P150-D152 PolarHBondContact O-N 3.38Å | ||
| 151 | M | 56 | Low | 77.1 | Confident | 179 Ų | 179 | 81.6 Ų | 81.6 | 88% | 0.882 | 43% | 0.433 | S | S | * | . | trans | -90 | 78.5 | 179.1 | -58 | -145.6 | -50.5 | 0 | 0 | 111.2 | N149 | N149-M151 PolarHBondContact O-N 3Š| ||
| 152 | D | 54.6 | Low | 76.8 | Confident | 105 Ų | 105 | 80.7 Ų | 80.7 | 56% | 0.561 | 43% | 0.425 | S | S | * | . | trans | -139.7 | 109.3 | 158.2 | -139.8 | -5.1 | 0 | 0 | 0 | 108.1 | K145 P150 Q154 | K145-D152 WeakPolarHBondContact CE-OD2 3.09Å; K145-D152 IonicContact NZ-OD2 3.13Å; K145-D152 PolarHBondContact NZ-OD2 2.87Å; P150-D152 PolarHBondContact O-N 3.38Å; D152-Q154 PolarHBondContact O-N 2.84Å; D152-Q154 VanDerWaalsContact O-N 3.14Å | ||
| 153 | I | 49.8 | Very low | 76.8 | Confident | 152 Ų | 152 | 81.6 Ų | 81.6 | 78% | 0.779 | 43% | 0.433 | S | S | * | . | trans | -63.9 | 114.1 | 176.3 | -69.8 | 164.9 | 0 | 0 | 0 | 106.2 | T155 | I153-T155 PolarHBondContact O-N 2.84Š| ||
| 154 | Q | 53.8 | Low | 76.9 | Confident | 156 Ų | 156 | 84.6 Ų | 84.6 | 73% | 0.729 | 45% | 0.45 | S | S | * | . | trans | -69.6 | 98.3 | -176.2 | -158 | 137.6 | 36.5 | 0 | 0 | 109 | D152 A158 | D152-Q154 PolarHBondContact O-N 2.84Å; D152-Q154 VanDerWaalsContact O-N 3.14Å; Q154-A158 HydrophobicContact CG-CB 3.9Å | ||
| 155 | T | 55.3 | Low | 76.9 | Confident | 84 Ų | 84 | 86.4 Ų | 86.4 | 52% | 0.515 | 46% | 0.46 | S | S | . | . | trans | -74.4 | 156.2 | 178.7 | 53.7 | 0 | 0 | 0 | 0 | 110.7 | I153 S157 A158 | I153-T155 PolarHBondContact O-N 2.84Å; T155-S157 PolarHBondContact O-N 3.39Å; T155-S157 PolarHBondContact OG1-OG 3.36Å; T155-S157 VanDerWaalsContact OG1-OG 3.12Å; T155-A158 WeakPolarHBondContact O-CB 3.21Å; T155-A158 PolarHBondContact O-N 3.05Å | ||
| 156 | S | 58 | Low | 77.1 | Confident | 133 Ų | 133 | 81.9 Ų | 81.9 | 93% | 0.93 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -11.3 | 177.9 | -172.8 | 0 | 0 | 0 | 0 | 114.6 | ||
| 157 | S | 73.6 | Confident | 77.4 | Confident | 44 Ų | 44 | 84.8 Ų | 84.8 | 31% | 0.308 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -4.6 | 178.9 | 61.8 | 0 | 0 | 0 | 0 | 114.5 | T155 V159 F160 W161 | T155-S157 PolarHBondContact O-N 3.39Å; T155-S157 PolarHBondContact OG1-OG 3.36Å; T155-S157 VanDerWaalsContact OG1-OG 3.12Å; S157-V159 VanDerWaalsContact C-N 3.3Å; S157-V159 PolarHBondContact O-N 3.37Å; S157-F160 PolarHBondContact O-N 3.1Å; S157-F160 VanDerWaalsContact O-N 3.16Å; S157-W161 PolarHBondContact O-N 3.18Å; S157-W161 VanDerWaalsContact O-N 3.1Å |
| 158 | A | 78.9 | Confident | 77.7 | Confident | 24 Ų | 24 | 87.4 Ų | 87.4 | 20% | 0.198 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -59.8 | -35.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q154 T155 T162 | Q154-A158 HydrophobicContact CG-CB 3.9Å; T155-A158 WeakPolarHBondContact O-CB 3.21Å; T155-A158 PolarHBondContact O-N 3.05Å; A158-T162 WeakPolarHBondContact O-CB 3.31Å; A158-T162 PolarHBondContact O-N 3.41Å; A158-T162 VanDerWaalsContact O-N 3.1Å; A158-T162 PolarHBondContact O-OG1 3.46Å |
| 159 | V | 83.4 | Confident | 78.2 | Confident | 72 Ų | 72 | 86.3 Ų | 86.3 | 44% | 0.436 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -68 | -45.5 | 176.8 | 174.4 | 0 | 0 | 0 | 0 | 110.9 | I82 S157 W161 T162 C163 | I82-V159 HydrophobicContact CD1-CG1 4.06Å; S157-V159 VanDerWaalsContact C-N 3.3Å; S157-V159 PolarHBondContact O-N 3.37Å; V159-W161 PolarHBondContact O-N 2.84Å; V159-T162 WeakPolarHBondContact O-CB 3.27Å; V159-T162 PolarHBondContact O-N 3.4Å; V159-T162 VanDerWaalsContact O-N 3.11Å; V159-C163 PolarHBondContact O-N 2.91Å; V159-C163 PolarHBondContact O-SG 3.47Å |
| 160 | F | 86.8 | Confident | 79 | Confident | 137 Ų | 137 | 84.9 Ų | 84.9 | 60% | 0.601 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -58.2 | -49.4 | 178 | 174.1 | -99.2 | 0 | 0 | 0 | 111.7 | S157 T162 C163 L164 | S157-F160 PolarHBondContact O-N 3.1Å; S157-F160 VanDerWaalsContact O-N 3.16Å; F160-T162 PolarHBondContact O-N 3.4Å; F160-C163 PolarHBondContact O-N 2.89Å; F160-L164 PolarHBondContact O-N 2.81Å |
| 161 | W | 88.1 | Confident | 80.3 | Confident | 140 Ų | 140 | 87.1 Ų | 87.1 | 53% | 0.53 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.8 | -32.8 | 176.5 | -74.8 | 110.7 | 0 | 0 | 0 | 112.9 | S157 V159 L164 K165 | S157-W161 PolarHBondContact O-N 3.18Å; S157-W161 VanDerWaalsContact O-N 3.1Å; V159-W161 PolarHBondContact O-N 2.84Å; W161-L164 HydrophobicContact CE3-CD2 3.92Å; W161-L164 HydrophobicContact CZ3-CD2 3.84Å; W161-K165 WeakPolarHBondContact O-CG 3.48Å; W161-K165 PolarHBondContact O-N 2.99Å |
| 162 | T | 89.4 | Confident | 82.3 | Confident | 7 Ų | 7 | 82.3 Ų | 82.3 | 4% | 0.043 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -69.5 | -43.7 | 175.9 | -58.6 | 0 | 0 | 0 | 0 | 111.6 | V79 I82 F83 A158 V159 F160 L164 K165 A166 | V79-T162 HydrophobicContact CB-CG2 4.3Å; V79-T162 HydrophobicContact CG1-CG2 3.78Å; V79-T162 HydrophobicContact CG2-CG2 4.45Å; V79-T162 VanDerWaalsContact CG2-OG1 3.31Å; V79-T162 WeakPolarHBondContact CG2-OG1 3.37Å; I82-T162 HydrophobicContact CB-CG2 4Å; I82-T162 HydrophobicContact CD1-CG2 3.87Å; I82-T162 HydrophobicContact CG2-CG2 3.95Å; F83-T162 HydrophobicContact CD2-CG2 4.29Å; F83-T162 HydrophobicContact CE2-CG2 3.77Å; F83-T162 HydrophobicContact CZ-CG2 3.93Å; A158-T162 WeakPolarHBondContact O-CB 3.31Å; A158-T162 PolarHBondContact O-N 3.41Å; A158-T162 VanDerWaalsContact O-N 3.1Å; A158-T162 PolarHBondContact O-OG1 3.46Å; V159-T162 WeakPolarHBondContact O-CB 3.27Å; V159-T162 PolarHBondContact O-N 3.4Å; V159-T162 VanDerWaalsContact O-N 3.11Å; F160-T162 PolarHBondContact O-N 3.4Å; T162-L164 VanDerWaalsContact C-N 3.31Å; T162-L164 PolarHBondContact O-N 2.74Å; T162-K165 WeakPolarHBondContact O-CB 3.27Å; T162-K165 PolarHBondContact O-N 3.18Å; T162-A166 PolarHBondContact O-N 3.39Å |
| 163 | C | 90.4 | Very high | 84.3 | Confident | 57 Ų | 57 | 77.3 Ų | 77.3 | 39% | 0.385 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.7 | -42.5 | 174.2 | -67.1 | 0 | 0 | 0 | 0 | 111.3 | V159 F160 K165 A166 V167 | V159-C163 PolarHBondContact O-N 2.91Å; V159-C163 PolarHBondContact O-SG 3.47Å; F160-C163 PolarHBondContact O-N 2.89Å; C163-K165 VanDerWaalsContact C-N 3.33Å; C163-K165 PolarHBondContact O-N 3.44Å; C163-A166 PolarHBondContact O-N 3.34Å; C163-V167 WeakPolarHBondContact O-CG2 3.39Å; C163-V167 PolarHBondContact O-N 3.23Å |
| 164 | L | 93 | Very high | 86.6 | Confident | 85 Ų | 85 | 73 Ų | 73 | 45% | 0.445 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.2 | -42.9 | 176 | -176.6 | 60.9 | 0 | 0 | 0 | 111.7 | F160 W161 T162 V167 S168 | F160-L164 PolarHBondContact O-N 2.81Å; W161-L164 HydrophobicContact CE3-CD2 3.92Å; W161-L164 HydrophobicContact CZ3-CD2 3.84Å; T162-L164 VanDerWaalsContact C-N 3.31Å; T162-L164 PolarHBondContact O-N 2.74Å; L164-V167 PolarHBondContact O-N 3.03Å; L164-S168 WeakPolarHBondContact O-CB 3.47Å; L164-S168 PolarHBondContact O-N 2.98Å |
| 165 | K | 93.8 | Very high | 88.6 | Confident | 102 Ų | 102 | 71.1 Ų | 71.1 | 44% | 0.443 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.3 | -46.1 | 173.3 | -73.2 | 173 | -177.6 | -178.4 | 0 | 111.8 | F83 V138 W161 T162 C163 S168 I169 | F83-K165 HydrophobicContact CE1-CB 4.38Å; F83-K165 HydrophobicContact CZ-CB 4.1Å; F83-K165 HydrophobicContact CZ-CD 4.46Å; V138-K165 HydrophobicContact CG1-CD 4.4Å; W161-K165 WeakPolarHBondContact O-CG 3.48Å; W161-K165 PolarHBondContact O-N 2.99Å; T162-K165 WeakPolarHBondContact O-CB 3.27Å; T162-K165 PolarHBondContact O-N 3.18Å; C163-K165 VanDerWaalsContact C-N 3.33Å; C163-K165 PolarHBondContact O-N 3.44Å; K165-S168 WeakPolarHBondContact CA-OG 3.47Å; K165-S168 PolarHBondContact O-N 3.18Å; K165-S168 PolarHBondContact O-OG 3.09Å; K165-I169 WeakPolarHBondContact O-CG1 3.25Å; K165-I169 PolarHBondContact O-N 3.19Å |
| 166 | A | 94.7 | Very high | 90.5 | Very high | 11 Ų | 11 | 70.1 Ų | 70.1 | 9% | 0.091 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.1 | -49 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | F83 T162 C163 S168 I169 W170 | F83-A166 HydrophobicContact CE1-CB 4.45Å; T162-A166 PolarHBondContact O-N 3.39Å; C163-A166 PolarHBondContact O-N 3.34Å; A166-S168 VanDerWaalsContact C-N 3.3Å; A166-S168 PolarHBondContact O-N 2.8Å; A166-I169 WeakPolarHBondContact O-CB 3.44Å; A166-I169 PolarHBondContact O-N 3.01Å; A166-I169 VanDerWaalsContact O-N 3.11Å; A166-W170 VanDerWaalsContact O-CD1 3.3Å; A166-W170 PolarHBondContact O-N 3.42Å; A166-W170 VanDerWaalsContact O-N 3.14Å |
| 167 | V | 95.7 | Very high | 92.3 | Very high | 83 Ų | 83 | 63.8 Ų | 63.8 | 50% | 0.503 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59 | -42.3 | 176 | 173 | 0 | 0 | 0 | 0 | 111.4 | C163 L164 I169 W170 L171 | C163-V167 WeakPolarHBondContact O-CG2 3.39Å; C163-V167 PolarHBondContact O-N 3.23Å; L164-V167 PolarHBondContact O-N 3.03Å; V167-I169 VanDerWaalsContact C-N 3.29Å; V167-I169 PolarHBondContact O-N 3.3Å; V167-W170 WeakPolarHBondContact O-CB 3.44Å; V167-W170 PolarHBondContact O-N 2.87Å; V167-L171 HydrophobicContact CG1-CD1 4.06Å; V167-L171 HydrophobicContact CG1-CG 4.34Å; V167-L171 WeakPolarHBondContact O-CG 3.27Å; V167-L171 PolarHBondContact O-N 3.15Å |
| 168 | S | 96.7 | Very high | 93.2 | Very high | 61 Ų | 61 | 64.5 Ų | 64.5 | 43% | 0.427 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.1 | -35.4 | 177.3 | 75.1 | 0 | 0 | 0 | 0 | 113 | L164 K165 A166 L171 L172 | L164-S168 WeakPolarHBondContact O-CB 3.47Å; L164-S168 PolarHBondContact O-N 2.98Å; K165-S168 WeakPolarHBondContact CA-OG 3.47Å; K165-S168 PolarHBondContact O-N 3.18Å; K165-S168 PolarHBondContact O-OG 3.09Å; A166-S168 VanDerWaalsContact C-N 3.3Å; A166-S168 PolarHBondContact O-N 2.8Å; S168-L171 PolarHBondContact O-N 3.25Å; S168-L172 VanDerWaalsContact O-CB 3.25Å; S168-L172 WeakPolarHBondContact O-CB 3.27Å; S168-L172 PolarHBondContact O-N 2.82Å |
| 169 | I | 97.9 | Very high | 93.8 | Very high | 8 Ų | 8 | 65.5 Ų | 65.5 | 4% | 0.041 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.7 | -43.8 | 175.4 | -70.8 | 161.8 | 0 | 0 | 0 | 110.4 | F83 V131 F134 V138 K165 A166 V167 L172 S173 | F83-I169 HydrophobicContact CD1-CD1 4.4Å; F83-I169 HydrophobicContact CE1-CD1 3.89Å; V131-I169 HydrophobicContact CG2-CG2 4.44Å; F134-I169 HydrophobicContact CB-CG1 4.41Å; F134-I169 HydrophobicContact CB-CG2 3.88Å; V138-I169 HydrophobicContact CB-CD1 4.32Å; V138-I169 HydrophobicContact CG2-CD1 4Å; K165-I169 WeakPolarHBondContact O-CG1 3.25Å; K165-I169 PolarHBondContact O-N 3.19Å; A166-I169 WeakPolarHBondContact O-CB 3.44Å; A166-I169 PolarHBondContact O-N 3.01Å; A166-I169 VanDerWaalsContact O-N 3.11Å; V167-I169 VanDerWaalsContact C-N 3.29Å; V167-I169 PolarHBondContact O-N 3.3Å; I169-L172 PolarHBondContact O-N 3.01Å; I169-S173 VanDerWaalsContact O-CB 3.3Å; I169-S173 WeakPolarHBondContact O-CB 3.28Å; I169-S173 PolarHBondContact O-N 3.41Å; I169-S173 PolarHBondContact O-OG 2.97Å |
| 170 | W | 97.9 | Very high | 94.1 | Very high | 71 Ų | 71 | 62.8 Ų | 62.8 | 27% | 0.269 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.7 | -48.9 | 176.6 | -83.4 | 81.7 | 0 | 0 | 0 | 111.6 | S86 A89 L93 T127 V131 A166 V167 L172 S173 V174 | S86-W170 PolarHBondContact OG-NE1 2.93Å; A89-W170 HydrophobicContact CB-CZ2 3.97Å; L93-W170 HydrophobicContact CD2-CH2 4.36Å; L93-W170 HydrophobicContact CD2-CZ3 4.12Å; T127-W170 HydrophobicContact CG2-CE3 4.41Å; T127-W170 HydrophobicContact CG2-CZ3 4.49Å; V131-W170 HydrophobicContact CG1-CZ2 4.23Å; V131-W170 HydrophobicContact CG2-CD2 3.78Å; V131-W170 HydrophobicContact CG2-CE3 4.14Å; V131-W170 HydrophobicContact CG2-CG 4.04Å; V131-W170 HydrophobicContact CG2-CZ2 4.33Å; A166-W170 VanDerWaalsContact O-CD1 3.3Å; A166-W170 PolarHBondContact O-N 3.42Å; A166-W170 VanDerWaalsContact O-N 3.14Å; V167-W170 WeakPolarHBondContact O-CB 3.44Å; V167-W170 PolarHBondContact O-N 2.87Å; W170-L172 PolarHBondContact O-N 2.7Å; W170-S173 PolarHBondContact O-N 3.49Å; W170-V174 WeakPolarHBondContact O-CG2 3.41Å; W170-V174 PolarHBondContact O-N 3.21Å |
| 171 | L | 97.8 | Very high | 94.3 | Very high | 118 Ų | 118 | 57.5 Ų | 57.5 | 62% | 0.618 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -60.4 | -44.8 | 178.3 | -66.8 | 175.8 | 0 | 0 | 0 | 111.8 | V167 S168 V174 L175 | V167-L171 HydrophobicContact CG1-CD1 4.06Å; V167-L171 HydrophobicContact CG1-CG 4.34Å; V167-L171 WeakPolarHBondContact O-CG 3.27Å; V167-L171 PolarHBondContact O-N 3.15Å; S168-L171 PolarHBondContact O-N 3.25Å; L171-V174 PolarHBondContact O-N 3.01Å; L171-L175 VanDerWaalsContact O-CB 3.24Å; L171-L175 WeakPolarHBondContact O-CB 3.39Å; L171-L175 PolarHBondContact O-N 3.47Å |
| 172 | L | 97.7 | Very high | 94.4 | Very high | 79 Ų | 79 | 56.4 Ų | 56.4 | 41% | 0.414 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 176.6 | 179.9 | 62.5 | 0 | 0 | 0 | 111.7 | F134 S168 I169 W170 L175 L176 | F134-L172 HydrophobicContact CD2-CD2 4.37Å; F134-L172 HydrophobicContact CE2-CD2 4.4Å; F134-L172 HydrophobicContact CE2-CG 4.37Å; S168-L172 VanDerWaalsContact O-CB 3.25Å; S168-L172 WeakPolarHBondContact O-CB 3.27Å; S168-L172 PolarHBondContact O-N 2.82Å; I169-L172 PolarHBondContact O-N 3.01Å; W170-L172 PolarHBondContact O-N 2.7Å; L172-L175 PolarHBondContact O-N 3.1Å; L172-L176 HydrophobicContact CD1-CD1 3.85Å; L172-L176 HydrophobicContact CD1-CG 4.05Å; L172-L176 HydrophobicContact CG-CD1 3.91Å; L172-L176 HydrophobicContact CG-CG 4.45Å; L172-L176 WeakPolarHBondContact O-CB 3.39Å; L172-L176 VanDerWaalsContact O-CG 3.28Å; L172-L176 WeakPolarHBondContact O-CG 3.48Å; L172-L176 PolarHBondContact O-N 3.19Å |
| 173 | S | 97.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.5 | -43.5 | -179.7 | -55.8 | 0 | 0 | 0 | 0 | 111.6 | V131 F134 I169 W170 A177 | V131-S173 PolarHBondContact N-OG 3.26Å; V131-S173 VanDerWaalsContact N-OG 3.1Å; F134-S173 WeakPolarHBondContact CD2-OG 3.28Å; I169-S173 VanDerWaalsContact O-CB 3.3Å; I169-S173 WeakPolarHBondContact O-CB 3.28Å; I169-S173 PolarHBondContact O-N 3.41Å; I169-S173 PolarHBondContact O-OG 2.97Å; W170-S173 PolarHBondContact O-N 3.49Å; S173-A177 VanDerWaalsContact O-CB 3.27Å; S173-A177 WeakPolarHBondContact O-CB 3.41Å; S173-A177 PolarHBondContact O-N 3.22Å; S173-A177 VanDerWaalsContact O-N 3.07Å |
| 174 | V | 97.1 | Very high | 94.2 | Very high | 62 Ų | 62 | 56.6 Ų | 56.6 | 38% | 0.376 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.5 | -47.6 | 174.9 | 172.3 | 0 | 0 | 0 | 0 | 110.2 | T127 W170 L171 L176 A177 V178 | T127-V174 HydrophobicContact CG2-CG2 3.63Å; W170-V174 WeakPolarHBondContact O-CG2 3.41Å; W170-V174 PolarHBondContact O-N 3.21Å; L171-V174 PolarHBondContact O-N 3.01Å; V174-L176 VanDerWaalsContact C-N 3.33Å; V174-L176 PolarHBondContact O-N 3.05Å; V174-A177 CarbonylContact O-C 3.57Å; V174-A177 WeakPolarHBondContact O-CA 3.46Å; V174-A177 WeakPolarHBondContact O-CB 3.29Å; V174-A177 PolarHBondContact O-N 3.24Å; V174-V178 WeakPolarHBondContact O-CG2 3.27Å; V174-V178 PolarHBondContact O-N 3.12Å |
| 175 | L | 96.7 | Very high | 94 | Very high | 116 Ų | 116 | 55.7 Ų | 55.7 | 61% | 0.607 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -56.6 | -47 | 180 | 177.1 | 63.6 | 0 | 0 | 0 | 111.8 | L171 L172 A177 V178 | L171-L175 VanDerWaalsContact O-CB 3.24Å; L171-L175 WeakPolarHBondContact O-CB 3.39Å; L171-L175 PolarHBondContact O-N 3.47Å; L172-L175 PolarHBondContact O-N 3.1Å; L175-A177 PolarHBondContact O-N 2.89Å; L175-V178 WeakPolarHBondContact O-CB 3.3Å; L175-V178 PolarHBondContact O-N 3.3Å |
| 176 | L | 95.9 | Very high | 93.8 | Very high | 63 Ų | 63 | 53.2 Ų | 53.2 | 33% | 0.33 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -71.7 | -16.2 | 178.2 | -67.8 | 173.9 | 0 | 0 | 0 | 113 | F134 L172 V174 V224 Y225 | F134-L176 HydrophobicContact CE2-CD1 3.87Å; F134-L176 HydrophobicContact CZ-CD1 3.72Å; L172-L176 HydrophobicContact CD1-CD1 3.85Å; L172-L176 HydrophobicContact CD1-CG 4.05Å; L172-L176 HydrophobicContact CG-CD1 3.91Å; L172-L176 HydrophobicContact CG-CG 4.45Å; L172-L176 WeakPolarHBondContact O-CB 3.39Å; L172-L176 VanDerWaalsContact O-CG 3.28Å; L172-L176 WeakPolarHBondContact O-CG 3.48Å; L172-L176 PolarHBondContact O-N 3.19Å; V174-L176 VanDerWaalsContact C-N 3.33Å; V174-L176 PolarHBondContact O-N 3.05Å; L176-V224 HydrophobicContact CD1-CG1 3.88Å; L176-Y225 HydrophobicContact CB-CE2 4.48Å; L176-Y225 WeakPolarHBondContact CB-OH 3.36Å; L176-Y225 PolarHBondContact O-OH 2.68Å |
| 177 | A | 95.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -90.1 | -17.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | V123 L126 S173 V174 L175 P179 E180 Y225 | V123-A177 HydrophobicContact CG1-CB 4.09Å; L126-A177 HydrophobicContact CB-CB 3.96Å; L126-A177 HydrophobicContact CD2-CB 4.21Å; L126-A177 HydrophobicContact CG-CB 4.18Å; S173-A177 VanDerWaalsContact O-CB 3.27Å; S173-A177 WeakPolarHBondContact O-CB 3.41Å; S173-A177 PolarHBondContact O-N 3.22Å; S173-A177 VanDerWaalsContact O-N 3.07Å; V174-A177 CarbonylContact O-C 3.57Å; V174-A177 WeakPolarHBondContact O-CA 3.46Å; V174-A177 WeakPolarHBondContact O-CB 3.29Å; V174-A177 PolarHBondContact O-N 3.24Å; L175-A177 PolarHBondContact O-N 2.89Å; A177-P179 VanDerWaalsContact C-N 3.33Å; A177-E180 WeakPolarHBondContact O-CB 3.43Å; A177-E180 PolarHBondContact O-N 3.48Å; A177-Y225 PolarHBondContact N-OH 3.14Å |
| 178 | V | 93 | Very high | 92.9 | Very high | 59 Ų | 59 | 54.5 Ų | 54.5 | 36% | 0.358 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -50.3 | -41.2 | 179.3 | 173.1 | 0 | 0 | 0 | 0 | 114.2 | V174 L175 E180 A181 I182 | V174-V178 WeakPolarHBondContact O-CG2 3.27Å; V174-V178 PolarHBondContact O-N 3.12Å; L175-V178 WeakPolarHBondContact O-CB 3.3Å; L175-V178 PolarHBondContact O-N 3.3Å; V178-E180 PolarHBondContact O-N 3.41Å; V178-E180 VanDerWaalsContact O-N 3.17Å; V178-A181 PolarHBondContact O-N 2.9Å; V178-I182 HydrophobicContact CG1-CD1 3.8Å; V178-I182 HydrophobicContact CG1-CG1 4.16Å; V178-I182 PolarHBondContact O-N 3.3Å |
| 179 | P | 90.6 | Very high | 92 | Very high | 45 Ų | 45 | 54.5 Ų | 54.5 | 29% | 0.292 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -53.5 | -36.5 | 178.4 | -29.1 | 37.7 | 0 | 0 | 0 | 113.6 | A177 A181 I182 F183 | A177-P179 VanDerWaalsContact C-N 3.33Å; P179-A181 VanDerWaalsContact C-N 3.31Å; P179-A181 PolarHBondContact O-N 2.95Å; P179-I182 PolarHBondContact O-N 2.73Å; P179-I182 VanDerWaalsContact O-N 3.14Å; P179-F183 HydrophobicContact CB-CD2 4.13Å; P179-F183 HydrophobicContact CB-CE2 3.97Å; P179-F183 WeakPolarHBondContact O-CD2 3.43Å; P179-F183 PolarHBondContact O-N 2.9Å |
| 180 | E | 89.4 | Confident | 91.1 | Very high | 15 Ų | 15 | 62.2 Ų | 62.2 | 7% | 0.07 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.8 | -42.1 | 176.3 | -72.5 | -76.6 | 174.7 | 0 | 0 | 111.9 | P122 V123 L126 A177 V178 S184 H217 I221 | P122-E180 HydrophobicContact CB-CB 3.96Å; P122-E180 HydrophobicContact CB-CG 4.41Å; V123-E180 HydrophobicContact CG2-CB 4.35Å; L126-E180 HydrophobicContact CD2-CG 3.66Å; A177-E180 WeakPolarHBondContact O-CB 3.43Å; A177-E180 PolarHBondContact O-N 3.48Å; V178-E180 PolarHBondContact O-N 3.41Å; V178-E180 VanDerWaalsContact O-N 3.17Å; E180-S184 WeakPolarHBondContact O-CB 3.29Å; E180-S184 PolarHBondContact O-N 3.21Å; E180-S184 PolarHBondContact O-OG 3.46Å; E180-H217 VanDerWaalsContact CD-CE1 3.5Å; E180-H217 IonicContact OE1-CE1 3.74Å; E180-H217 PolarHBondContact OE1-CE1 3.02Å; E180-H217 IonicContact OE1-ND1 2.73Å; E180-H217 IonicContact OE2-CE1 3.52Å; E180-I221 WeakPolarHBondContact OE1-CD1 3.47Å |
| 181 | A | 90.6 | Very high | 89.7 | Confident | 25 Ų | 25 | 60 Ų | 60 | 21% | 0.207 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -70.7 | -33 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | K119 V123 V178 P179 | K119-A181 HydrophobicContact CB-CB 4.01Å; K119-A181 WeakPolarHBondContact CD-O 3.24Å; K119-A181 WeakPolarHBondContact CG-O 3.42Å; V123-A181 HydrophobicContact CG2-CB 3.41Å; V123-A181 VanDerWaalsContact CG2-CB 3.41Å; V178-A181 PolarHBondContact O-N 2.9Å; P179-A181 VanDerWaalsContact C-N 3.31Å; P179-A181 PolarHBondContact O-N 2.95Å |
| 182 | I | 90.3 | Very high | 88.5 | Confident | 117 Ų | 117 | 59.9 Ų | 59.9 | 60% | 0.6 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -69.5 | -42 | 179.8 | -64.8 | 175.3 | 0 | 0 | 0 | 110.1 | V178 P179 | V178-I182 HydrophobicContact CG1-CD1 3.8Å; V178-I182 HydrophobicContact CG1-CG1 4.16Å; V178-I182 PolarHBondContact O-N 3.3Å; P179-I182 PolarHBondContact O-N 2.73Å; P179-I182 VanDerWaalsContact O-N 3.14Å |
| 183 | F | 87.8 | Confident | 87.2 | Confident | 68 Ų | 68 | 63 Ų | 63 | 30% | 0.298 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -90.9 | -19.8 | -174.3 | -60.6 | -57.6 | 0 | 0 | 0 | 114.2 | P179 Q185 H213 | P179-F183 HydrophobicContact CB-CD2 4.13Å; P179-F183 HydrophobicContact CB-CE2 3.97Å; P179-F183 WeakPolarHBondContact O-CD2 3.43Å; P179-F183 PolarHBondContact O-N 2.9Å; F183-Q185 PolarHBondContact O-N 3.32Å; F183-H213 AromaticContact CD1-CE1 3.7Å; F183-H213 AromaticContact CD1-NE2 3.46Å; F183-H213 WeakPolarHBondContact CD1-NE2 3.48Å; F183-H213 AromaticContact CD2-CE1 3.48Å; F183-H213 VanDerWaalsContact CD2-CE1 3.48Å; F183-H213 WeakPolarHBondContact CD2-CE1 3.19Å; F183-H213 AromaticContact CD2-NE2 3.4Å; F183-H213 WeakPolarHBondContact CD2-NE2 3.28Å; F183-H213 AromaticContact CE1-NE2 3.4Å; F183-H213 WeakPolarHBondContact CE1-NE2 3.3Å; F183-H213 AromaticContact CE2-CE1 3.92Å; F183-H213 AromaticContact CE2-NE2 3.35Å; F183-H213 VanDerWaalsContact CE2-NE2 3.35Å; F183-H213 WeakPolarHBondContact CE2-NE2 3.24Å; F183-H213 AromaticContact CG-CE1 3.37Å; F183-H213 WeakPolarHBondContact CG-CE1 3.43Å; F183-H213 AromaticContact CG-NE2 3.47Å; F183-H213 WeakPolarHBondContact CG-NE2 3.34Å; F183-H213 AromaticContact CZ-NE2 3.35Å; F183-H213 WeakPolarHBondContact CZ-NE2 3.49Å |
| 184 | S | 89.2 | Confident | 85.9 | Confident | 1 Ų | 1 | 69.3 Ų | 69.3 | 1% | 0.007 | 37% | 0.365 | C | S | . | . | trans | -68.8 | 128.3 | 174.9 | -66.8 | 0 | 0 | 0 | 0 | 111 | C118 K119 E180 V204 | C118-S184 WeakPolarHBondContact O-CB 3.44Å; K119-S184 WeakPolarHBondContact CE-O 3.24Å; E180-S184 WeakPolarHBondContact O-CB 3.29Å; E180-S184 PolarHBondContact O-N 3.21Å; E180-S184 PolarHBondContact O-OG 3.46Å; S184-V204 VanDerWaalsContact CA-O 3.31Å; S184-V204 WeakPolarHBondContact CA-O 3.24Å | ||
| 185 | Q | 88.4 | Confident | 84.8 | Confident | 65 Ų | 65 | 73.2 Ų | 73.2 | 30% | 0.304 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 147.4 | -178.6 | 58.4 | 175 | 34.1 | 0 | 0 | 111.4 | F183 I187 V204 | F183-Q185 PolarHBondContact O-N 3.32Å; Q185-I187 HydrophobicContact CG-CG2 3.97Å; Q185-I187 VanDerWaalsContact NE2-CG2 3.26Å; Q185-V204 HydrophobicContact CG-CG2 3.59Å; Q185-V204 PolarHBondContact N-O 2.9Å; Q185-V204 PolarHBondContact O-N 3.02Å |
| 186 | V | 89.2 | Confident | 83.6 | Confident | 50 Ų | 50 | 73.4 Ų | 73.4 | 30% | 0.303 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 125.9 | 168.9 | 179.2 | 0 | 0 | 0 | 0 | 107.8 | E115 C118 V201 N202 | E115-V186 HydrophobicContact CB-CG2 4.16Å; E115-V186 HydrophobicContact CG-CG2 4.34Å; C118-V186 HydrophobicContact CB-CG2 3.66Å; V186-V201 HydrophobicContact CG1-CG1 3.37Å; V186-N202 WeakPolarHBondContact CA-O 3.48Å |
| 187 | I | 86.5 | Confident | 82.8 | Confident | 29 Ų | 29 | 76.8 Ų | 76.8 | 15% | 0.149 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 146.6 | 178.4 | 57.1 | 172.9 | 0 | 0 | 0 | 111 | Q185 M189 N202 V204 L208 | Q185-I187 HydrophobicContact CG-CG2 3.97Å; Q185-I187 VanDerWaalsContact NE2-CG2 3.26Å; I187-M189 HydrophobicContact CD1-CE 3.31Å; I187-M189 HydrophobicContact CD1-CG 4.22Å; I187-M189 HydrophobicContact CG1-CE 3.87Å; I187-M189 HydrophobicContact CG1-CG 4.39Å; I187-N202 PolarHBondContact N-O 3.12Å; I187-N202 PolarHBondContact O-N 3.45Å; I187-V204 HydrophobicContact CD1-CB 4.36Å; I187-V204 HydrophobicContact CD1-CG1 3.71Å; I187-V204 HydrophobicContact CD1-CG2 3.68Å; I187-V204 HydrophobicContact CG1-CG1 4.08Å; I187-V204 HydrophobicContact CG1-CG2 3.94Å; I187-V204 HydrophobicContact CG2-CG2 4.39Å; I187-L208 HydrophobicContact CD1-CD1 3.33Å; I187-L208 HydrophobicContact CD1-CG 4.24Å |
| 188 | S | 84.7 | Confident | 82.1 | Confident | 92 Ų | 92 | 78.8 Ų | 78.8 | 64% | 0.643 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 117.8 | 171.4 | -55.4 | 0 | 0 | 0 | 0 | 108.8 | F200 | S188-F200 CarbonylContact C-O 3.54Å; S188-F200 WeakPolarHBondContact CA-O 3.32Å |
| 189 | M | 78.1 | Confident | 81.6 | Confident | 61 Ų | 61 | 80.4 Ų | 80.4 | 30% | 0.3 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 137.9 | 175.8 | -60.2 | 177.5 | -173.6 | 0 | 0 | 109.1 | I187 T199 F200 N202 V204 | I187-M189 HydrophobicContact CD1-CE 3.31Å; I187-M189 HydrophobicContact CD1-CG 4.22Å; I187-M189 HydrophobicContact CG1-CE 3.87Å; I187-M189 HydrophobicContact CG1-CG 4.39Å; M189-T199 CarbonylContact O-C 3.56Å; M189-T199 WeakPolarHBondContact O-CA 3.2Å; M189-F200 PolarHBondContact N-O 3.37Å; M189-F200 PolarHBondContact O-N 3.43Å; M189-N202 HydrophobicContact CE-CB 3.96Å; M189-N202 HydrophobicContact SD-CB 4.37Å; M189-V204 HydrophobicContact CE-CG1 3.79Å |
| 190 | Q | 78.3 | Confident | 81.2 | Confident | 171 Ų | 171 | 79.9 Ų | 79.9 | 80% | 0.799 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80 | 129.4 | 168.2 | -67.3 | -176.5 | -2.2 | 0 | 0 | 108.6 | T199 | Q190-T199 HydrophobicContact CG-CG2 4.44Å |
| 191 | G | 70.1 | Confident | 81 | Confident | 23 Ų | 23 | 81.3 Ų | 81.3 | 24% | 0.237 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 178 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | V198 | G191-V198 PolarHBondContact N-O 2.87Å; G191-V198 WeakPolarHBondContact O-CG2 3.38Å; G191-V198 PolarHBondContact O-N 3.06Å; G191-V198 VanDerWaalsContact O-O 3.08Å |
| 192 | H | 71.6 | Confident | 80.8 | Confident | 117 Ų | 117 | 82.5 Ų | 82.5 | 54% | 0.542 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 121.2 | -177 | -152.1 | 67.9 | 0 | 0 | 0 | 108.8 | N195 M196 N197 | H192-N195 VanDerWaalsContact CE1-C 3.44Å; H192-N195 PolarHBondContact CE1-O 2.95Å; H192-N195 VanDerWaalsContact NE2-CA 3.29Å; H192-N195 WeakPolarHBondContact NE2-CA 3.3Å; H192-M196 WeakPolarHBondContact CA-O 3.35Å; H192-M196 PolarHBondContact ND1-O 2.94Å; H192-N197 PolarHBondContact ND1-OD1 3.45Å; H192-N197 VanDerWaalsContact ND1-OD1 3.14Å |
| 193 | R | 70.8 | Confident | 80.8 | Confident | 144 Ų | 144 | 78 Ų | 78 | 54% | 0.543 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 125.6 | 177.8 | -175.2 | 176.1 | 177.8 | 168 | 4.4 | 108.1 | N195 M196 V198 F200 | R193-N195 VanDerWaalsContact C-N 3.3Å; R193-N195 PolarHBondContact O-N 3.33Å; R193-M196 PolarHBondContact N-O 3.43Å; R193-M196 PolarHBondContact O-N 3.47Å; R193-V198 HydrophobicContact CB-CG1 4.31Å; R193-V198 HydrophobicContact CB-CG2 3.63Å; R193-F200 HydrophobicContact CB-CZ 4.4Å |
| 194 | D | 71.3 | Confident | 80.6 | Confident | 132 Ų | 132 | 75.4 Ų | 75.4 | 71% | 0.706 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 46.2 | 179.6 | -53.2 | -36.2 | 0 | 0 | 0 | 113.5 | M196 | D194-M196 PolarHBondContact O-N 2.96Š|
| 195 | N | 73 | Confident | 80.2 | Confident | 145 Ų | 145 | 77.3 Ų | 77.3 | 78% | 0.775 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | 14.3 | -175.8 | -71 | -0.3 | 0 | 0 | 0 | 116.4 | H192 R193 | H192-N195 VanDerWaalsContact CE1-C 3.44Å; H192-N195 PolarHBondContact CE1-O 2.95Å; H192-N195 VanDerWaalsContact NE2-CA 3.29Å; H192-N195 WeakPolarHBondContact NE2-CA 3.3Å; R193-N195 VanDerWaalsContact C-N 3.3Å; R193-N195 PolarHBondContact O-N 3.33Å |
| 196 | M | 72.3 | Confident | 79.8 | Confident | 120 Ų | 120 | 75.2 Ų | 75.2 | 59% | 0.591 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 143.3 | 175.5 | -63.2 | -175.3 | -65.7 | 0 | 0 | 111.8 | H192 R193 D194 V198 | H192-M196 WeakPolarHBondContact CA-O 3.35Å; H192-M196 PolarHBondContact ND1-O 2.94Å; R193-M196 PolarHBondContact N-O 3.43Å; R193-M196 PolarHBondContact O-N 3.47Å; D194-M196 PolarHBondContact O-N 2.96Å; M196-V198 PolarHBondContact O-N 3.26Å |
| 197 | N | 78.4 | Confident | 79.1 | Confident | 134 Ų | 134 | 74.1 Ų | 74.1 | 72% | 0.717 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73 | 116.2 | 169.9 | -72.3 | -8.3 | 0 | 0 | 0 | 109.1 | H192 | H192-N197 PolarHBondContact ND1-OD1 3.45Å; H192-N197 VanDerWaalsContact ND1-OD1 3.14Å |
| 198 | V | 80.3 | Confident | 78.4 | Confident | 41 Ų | 41 | 76.6 Ų | 76.6 | 25% | 0.248 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 145.9 | 179.4 | -70.6 | 0 | 0 | 0 | 0 | 109.2 | G191 R193 M196 F200 | G191-V198 PolarHBondContact N-O 2.87Å; G191-V198 WeakPolarHBondContact O-CG2 3.38Å; G191-V198 PolarHBondContact O-N 3.06Å; G191-V198 VanDerWaalsContact O-O 3.08Å; R193-V198 HydrophobicContact CB-CG1 4.31Å; R193-V198 HydrophobicContact CB-CG2 3.63Å; M196-V198 PolarHBondContact O-N 3.26Å; V198-F200 HydrophobicContact CB-CE2 4.4Å; V198-F200 HydrophobicContact CB-CZ 4.38Å; V198-F200 HydrophobicContact CG2-CD2 4.17Å; V198-F200 HydrophobicContact CG2-CE1 4.26Å; V198-F200 HydrophobicContact CG2-CE2 3.31Å; V198-F200 HydrophobicContact CG2-CZ 3.37Å |
| 199 | T | 81.8 | Confident | 77.7 | Confident | 94 Ų | 94 | 77.7 Ų | 77.7 | 58% | 0.577 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 117.6 | 177.1 | 53 | 0 | 0 | 0 | 0 | 109.6 | M189 Q190 | M189-T199 CarbonylContact O-C 3.56Å; M189-T199 WeakPolarHBondContact O-CA 3.2Å; Q190-T199 HydrophobicContact CG-CG2 4.44Å |
| 200 | F | 82.5 | Confident | 77.7 | Confident | 34 Ų | 34 | 78.6 Ų | 78.6 | 15% | 0.149 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 135.5 | 177.2 | -62.2 | -77.1 | 0 | 0 | 0 | 110.7 | E110 S188 M189 R193 V198 | E110-F200 HydrophobicContact CG-CB 4.5Å; E110-F200 HydrophobicContact CG-CD1 3.95Å; E110-F200 WeakPolarHBondContact OE1-CD1 3.44Å; S188-F200 CarbonylContact C-O 3.54Å; S188-F200 WeakPolarHBondContact CA-O 3.32Å; M189-F200 PolarHBondContact N-O 3.37Å; M189-F200 PolarHBondContact O-N 3.43Å; R193-F200 HydrophobicContact CB-CZ 4.4Å; V198-F200 HydrophobicContact CB-CE2 4.4Å; V198-F200 HydrophobicContact CB-CZ 4.38Å; V198-F200 HydrophobicContact CG2-CD2 4.17Å; V198-F200 HydrophobicContact CG2-CE1 4.26Å; V198-F200 HydrophobicContact CG2-CE2 3.31Å; V198-F200 HydrophobicContact CG2-CZ 3.37Å |
| 201 | V | 86.8 | Confident | 77.7 | Confident | 44 Ų | 44 | 74.7 Ų | 74.7 | 27% | 0.267 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 124.1 | 175.9 | -179.3 | 0 | 0 | 0 | 0 | 109.5 | E110 W111 V186 | E110-V201 WeakPolarHBondContact CA-O 3.41Å; W111-V201 PolarHBondContact N-O 3.15Å; V186-V201 HydrophobicContact CG1-CG1 3.37Å |
| 202 | N | 86.4 | Confident | 78.4 | Confident | 50 Ų | 50 | 78.6 Ų | 78.6 | 27% | 0.267 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 144.2 | -178.9 | -86.6 | -44.7 | 0 | 0 | 0 | 112 | E109 V186 I187 M189 | E109-N202 PolarHBondContact O-OD1 3.39Å; V186-N202 WeakPolarHBondContact CA-O 3.48Å; I187-N202 PolarHBondContact N-O 3.12Å; I187-N202 PolarHBondContact O-N 3.45Å; M189-N202 HydrophobicContact CE-CB 3.96Å; M189-N202 HydrophobicContact SD-CB 4.37Å |
| 203 | C | 89.1 | Confident | 79 | Confident | 24 Ų | 24 | 74.6 Ų | 74.6 | 16% | 0.162 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 116.2 | 167.7 | 175.5 | 0 | 0 | 0 | 0 | 109.1 | W111 C118 | W111-C203 HydrophobicContact CB-CB 4.24Å; W111-C203 HydrophobicContact CD2-CB 3.43Å; W111-C203 VanDerWaalsContact CD2-CB 3.43Å; W111-C203 HydrophobicContact CE3-CB 3.73Å; W111-C203 HydrophobicContact CG-CB 3.65Å; W111-C203 HydrophobicContact CZ2-CB 4.39Å; W111-C203 HydrophobicContact CZ3-CB 4.31Å; C118-C203 WeakPolarHBondContact CA-SG 3.37Å; C118-C203 HydrophobicContact CB-CB 3.79Å; C118-C203 WeakPolarHBondContact CB-SG 3.41Å; C118-C203 VanDerWaalsContact SG-CA 3.58Å; C118-C203 WeakPolarHBondContact SG-CB 3.46Å; C118-C203 CovalentContact SG-SG 2.03Å; C118-C203 PolarHBondContact SG-SG 3.4Å |
| 204 | V | 84.9 | Confident | 79.8 | Confident | 13 Ų | 13 | 67.9 Ų | 67.9 | 8% | 0.079 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 139.4 | 177.4 | -65.6 | 0 | 0 | 0 | 0 | 110.9 | S184 Q185 I187 M189 Y206 | S184-V204 VanDerWaalsContact CA-O 3.31Å; S184-V204 WeakPolarHBondContact CA-O 3.24Å; Q185-V204 HydrophobicContact CG-CG2 3.59Å; Q185-V204 PolarHBondContact N-O 2.9Å; Q185-V204 PolarHBondContact O-N 3.02Å; I187-V204 HydrophobicContact CD1-CB 4.36Å; I187-V204 HydrophobicContact CD1-CG1 3.71Å; I187-V204 HydrophobicContact CD1-CG2 3.68Å; I187-V204 HydrophobicContact CG1-CG1 4.08Å; I187-V204 HydrophobicContact CG1-CG2 3.94Å; I187-V204 HydrophobicContact CG2-CG2 4.39Å; M189-V204 HydrophobicContact CE-CG1 3.79Å; V204-Y206 WeakPolarHBondContact CG2-O 3.41Å; V204-Y206 PolarHBondContact O-N 3.5Å |
| 205 | P | 79.8 | Confident | 80.6 | Confident | 41 Ų | 41 | 64.5 Ų | 64.5 | 27% | 0.266 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -76 | -6 | -176.3 | 27.4 | -31.3 | 0 | 0 | 0 | 114.1 | ||
| 206 | Y | 79.4 | Confident | 81.5 | Confident | 20 Ų | 20 | 62.3 Ų | 62.3 | 8% | 0.078 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -150.2 | 152.4 | 179.4 | 38.4 | -99.7 | 0 | 0 | 0 | 112.1 | V204 L208 P214 Y298 | V204-Y206 WeakPolarHBondContact CG2-O 3.41Å; V204-Y206 PolarHBondContact O-N 3.5Å; Y206-L208 PolarHBondContact O-N 3.07Å; Y206-P214 HydrophobicContact CD1-CB 3.68Å; Y206-P214 HydrophobicContact CD2-CB 3.85Å; Y206-P214 HydrophobicContact CD2-CG 4.18Å; Y206-P214 HydrophobicContact CE1-CB 3.65Å; Y206-P214 HydrophobicContact CE2-CB 3.84Å; Y206-P214 HydrophobicContact CE2-CG 4.21Å; Y206-P214 HydrophobicContact CG-CB 3.78Å; Y206-P214 HydrophobicContact CG-CG 4.49Å; Y206-Y298 AromaticContact CE2-CD2 3.96Å; Y206-Y298 HydrophobicContact CE2-CD2 3.96Å; Y206-Y298 AromaticContact CE2-CE2 3.66Å; Y206-Y298 HydrophobicContact CE2-CE2 3.66Å; Y206-Y298 AromaticContact CZ-CD2 3.93Å; Y206-Y298 AromaticContact CZ-CE2 3.84Å; Y206-Y298 WeakPolarHBondContact OH-CD2 3.33Å; Y206-Y298 WeakPolarHBondContact OH-CE2 3.16Å |
| 207 | P | 75.3 | Confident | 82.3 | Confident | 28 Ų | 28 | 57.7 Ų | 57.7 | 18% | 0.182 | 32% | 0.316 | C | S | . | . | trans | -66 | 132.2 | 172.9 | 26.6 | -33.2 | 0 | 0 | 0 | 111 | S209 | P207-S209 PolarHBondContact O-N 3.29Š| ||
| 208 | L | 70.9 | Confident | 82.9 | Confident | 81 Ų | 81 | 51.4 Ų | 51.4 | 42% | 0.424 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -12.4 | -179.8 | -76 | 166.1 | 0 | 0 | 0 | 114.2 | I187 Y206 N210 Y298 | I187-L208 HydrophobicContact CD1-CD1 3.33Å; I187-L208 HydrophobicContact CD1-CG 4.24Å; Y206-L208 PolarHBondContact O-N 3.07Å; L208-N210 VanDerWaalsContact C-N 3.34Å; L208-N210 PolarHBondContact O-N 2.95Å; L208-Y298 HydrophobicContact CD2-CE1 3.64Å; L208-Y298 WeakPolarHBondContact CD2-OH 3.33Å |
| 209 | S | 71.6 | Confident | 83.6 | Confident | 114 Ų | 114 | 51.8 Ų | 51.8 | 80% | 0.797 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -20.7 | -173.5 | 58.6 | 0 | 0 | 0 | 0 | 114.1 | P207 | P207-S209 PolarHBondContact O-N 3.29Š|
| 210 | N | 76.6 | Confident | 84.2 | Confident | 81 Ų | 81 | 52.5 Ų | 52.5 | 43% | 0.433 | 28% | 0.282 | S | S | . | . | trans | -129.4 | 108.7 | -174.9 | -173.6 | -4.5 | 0 | 0 | 0 | 112.3 | L208 M212 H213 P214 | L208-N210 VanDerWaalsContact C-N 3.34Å; L208-N210 PolarHBondContact O-N 2.95Å; N210-M212 PolarHBondContact O-N 2.9Å; N210-M212 PolarHBondContact OD1-N 2.95Å; N210-H213 HydrophobicContact CB-CB 4.17Å; N210-H213 PolarHBondContact O-N 3.03Å; N210-P214 WeakPolarHBondContact O-CD 3.44Å | ||
| 211 | Q | 78.4 | Confident | 84.8 | Confident | 89 Ų | 89 | 51.5 Ų | 51.5 | 42% | 0.416 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -21.5 | -179.1 | -60 | -71.2 | -0 | 0 | 0 | 114.3 | H299 | Q211-H299 PolarHBondContact NE2-CE1 3.43Å; Q211-H299 PolarHBondContact NE2-NE2 3.38Å; Q211-H299 PolarHBondContact OE1-CE1 2.91Å |
| 212 | M | 85.1 | Confident | 85.2 | Confident | 105 Ų | 105 | 51.1 Ų | 51.1 | 52% | 0.517 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -27.8 | -178.6 | -64.6 | -55.5 | -66.2 | 0 | 0 | 112.7 | N210 K215 I216 | N210-M212 PolarHBondContact O-N 2.9Å; N210-M212 PolarHBondContact OD1-N 2.95Å; M212-K215 PolarHBondContact O-N 3.33Å; M212-K215 HydrophobicContact SD-CD 4.46Å; M212-I216 HydrophobicContact CB-CD1 4.33Å; M212-I216 WeakPolarHBondContact O-CG1 3.35Å; M212-I216 PolarHBondContact O-N 3.38Å |
| 213 | H | 85.1 | Confident | 85.7 | Confident | 32 Ų | 32 | 51.4 Ų | 51.4 | 15% | 0.148 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -55.4 | -54 | 179.9 | -174.7 | -87.3 | 0 | 0 | 0 | 113.6 | F183 N210 K215 I216 H217 | F183-H213 AromaticContact CD1-CE1 3.7Å; F183-H213 AromaticContact CD1-NE2 3.46Å; F183-H213 WeakPolarHBondContact CD1-NE2 3.48Å; F183-H213 AromaticContact CD2-CE1 3.48Å; F183-H213 VanDerWaalsContact CD2-CE1 3.48Å; F183-H213 WeakPolarHBondContact CD2-CE1 3.19Å; F183-H213 AromaticContact CD2-NE2 3.4Å; F183-H213 WeakPolarHBondContact CD2-NE2 3.28Å; F183-H213 AromaticContact CE1-NE2 3.4Å; F183-H213 WeakPolarHBondContact CE1-NE2 3.3Å; F183-H213 AromaticContact CE2-CE1 3.92Å; F183-H213 AromaticContact CE2-NE2 3.35Å; F183-H213 VanDerWaalsContact CE2-NE2 3.35Å; F183-H213 WeakPolarHBondContact CE2-NE2 3.24Å; F183-H213 AromaticContact CG-CE1 3.37Å; F183-H213 WeakPolarHBondContact CG-CE1 3.43Å; F183-H213 AromaticContact CG-NE2 3.47Å; F183-H213 WeakPolarHBondContact CG-NE2 3.34Å; F183-H213 AromaticContact CZ-NE2 3.35Å; F183-H213 WeakPolarHBondContact CZ-NE2 3.49Å; N210-H213 HydrophobicContact CB-CB 4.17Å; N210-H213 PolarHBondContact O-N 3.03Å; H213-K215 VanDerWaalsContact C-N 3.26Å; H213-K215 PolarHBondContact O-N 2.95Å; H213-I216 PolarHBondContact O-N 3.36Å; H213-H217 WeakPolarHBondContact O-CB 3.33Å; H213-H217 PolarHBondContact O-N 3.46Å |
| 214 | P | 85.9 | Confident | 86.1 | Confident | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.019 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.1 | -34.8 | -178.8 | 23.6 | -34.2 | 0 | 0 | 0 | 112.9 | Y206 N210 S218 S295 | Y206-P214 HydrophobicContact CD1-CB 3.68Å; Y206-P214 HydrophobicContact CD2-CB 3.85Å; Y206-P214 HydrophobicContact CD2-CG 4.18Å; Y206-P214 HydrophobicContact CE1-CB 3.65Å; Y206-P214 HydrophobicContact CE2-CB 3.84Å; Y206-P214 HydrophobicContact CE2-CG 4.21Å; Y206-P214 HydrophobicContact CG-CB 3.78Å; Y206-P214 HydrophobicContact CG-CG 4.49Å; N210-P214 WeakPolarHBondContact O-CD 3.44Å; P214-S218 VanDerWaalsContact O-CB 3.31Å; P214-S218 WeakPolarHBondContact O-CB 3.06Å; P214-S218 PolarHBondContact O-N 2.89Å; P214-S218 PolarHBondContact O-OG 3.23Å; P214-S295 WeakPolarHBondContact O-CB 3.46Å |
| 215 | K | 90 | Very high | 86.7 | Confident | 61 Ų | 61 | 51.9 Ų | 51.9 | 27% | 0.265 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -69.4 | -48.6 | 179.9 | -61.9 | 176.3 | -174.7 | 176.7 | 0 | 111.8 | M212 H213 H217 S218 V219 S295 F296 | M212-K215 PolarHBondContact O-N 3.33Å; M212-K215 HydrophobicContact SD-CD 4.46Å; H213-K215 VanDerWaalsContact C-N 3.26Å; H213-K215 PolarHBondContact O-N 2.95Å; K215-H217 VanDerWaalsContact C-N 3.32Å; K215-S218 PolarHBondContact O-OG 3.07Å; K215-V219 VanDerWaalsContact O-CG2 3.31Å; K215-V219 WeakPolarHBondContact O-CG2 3.38Å; K215-V219 PolarHBondContact O-N 3.45Å; K215-S295 WeakPolarHBondContact CG-O 3.36Å; K215-F296 HydrophobicContact CB-CE1 4.31Å; K215-F296 HydrophobicContact CB-CE2 4.4Å; K215-F296 HydrophobicContact CB-CZ 4.17Å; K215-F296 HydrophobicContact CD-CD1 4.09Å; K215-F296 HydrophobicContact CD-CE1 4.23Å; K215-F296 HydrophobicContact CG-CD1 4.21Å; K215-F296 HydrophobicContact CG-CE1 4.32Å; K215-F296 HydrophobicContact CG-CG 4.34Å |
| 216 | I | 90.9 | Very high | 87.5 | Confident | 100 Ų | 100 | 50.7 Ų | 50.7 | 51% | 0.513 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 178.4 | -66.6 | 167.7 | 0 | 0 | 0 | 109.7 | M212 H213 V219 M220 | M212-I216 HydrophobicContact CB-CD1 4.33Å; M212-I216 WeakPolarHBondContact O-CG1 3.35Å; M212-I216 PolarHBondContact O-N 3.38Å; H213-I216 PolarHBondContact O-N 3.36Å; I216-V219 PolarHBondContact O-N 2.98Å; I216-M220 HydrophobicContact CG2-CG 4.41Å; I216-M220 WeakPolarHBondContact O-CB 3.36Å; I216-M220 WeakPolarHBondContact O-CG 3.4Å; I216-M220 PolarHBondContact O-N 3.03Å |
| 217 | H | 89.5 | Confident | 88.3 | Confident | 23 Ų | 23 | 53.2 Ų | 53.2 | 11% | 0.106 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.8 | -44.9 | -178.7 | -169.8 | -114.3 | 0 | 0 | 0 | 112.5 | E180 H213 K215 V219 M220 I221 Y291 | E180-H217 VanDerWaalsContact CD-CE1 3.5Å; E180-H217 IonicContact OE1-CE1 3.74Å; E180-H217 PolarHBondContact OE1-CE1 3.02Å; E180-H217 IonicContact OE1-ND1 2.73Å; E180-H217 IonicContact OE2-CE1 3.52Å; H213-H217 WeakPolarHBondContact O-CB 3.33Å; H213-H217 PolarHBondContact O-N 3.46Å; K215-H217 VanDerWaalsContact C-N 3.32Å; H217-V219 PolarHBondContact O-N 2.78Å; H217-M220 PolarHBondContact O-N 3.03Å; H217-I221 WeakPolarHBondContact CE1-CD1 3.16Å; H217-I221 WeakPolarHBondContact O-CG1 3.46Å; H217-I221 PolarHBondContact O-N 3.23Å; H217-Y291 PolarHBondContact ND1-OH 3.46Å |
| 218 | S | 91.6 | Very high | 89.4 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.007 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.2 | -39.5 | 179.1 | 71.8 | 0 | 0 | 0 | 0 | 113.2 | P214 K215 I221 F222 S295 | P214-S218 VanDerWaalsContact O-CB 3.31Å; P214-S218 WeakPolarHBondContact O-CB 3.06Å; P214-S218 PolarHBondContact O-N 2.89Å; P214-S218 PolarHBondContact O-OG 3.23Å; K215-S218 PolarHBondContact O-OG 3.07Å; S218-I221 PolarHBondContact O-N 3.28Å; S218-F222 WeakPolarHBondContact O-CB 3.09Å; S218-F222 PolarHBondContact O-N 3.12Å; S218-S295 VanDerWaalsContact CB-OG 3.28Å; S218-S295 WeakPolarHBondContact CB-OG 3.45Å; S218-S295 PolarHBondContact OG-OG 2.85Å |
| 219 | V | 94.5 | Very high | 90.7 | Very high | 49 Ų | 49 | 52.1 Ų | 52.1 | 30% | 0.297 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.8 | -46 | 173.8 | 172.6 | 0 | 0 | 0 | 0 | 110.2 | K215 I216 H217 I221 F222 L223 M292 F296 | K215-V219 VanDerWaalsContact O-CG2 3.31Å; K215-V219 WeakPolarHBondContact O-CG2 3.38Å; K215-V219 PolarHBondContact O-N 3.45Å; I216-V219 PolarHBondContact O-N 2.98Å; H217-V219 PolarHBondContact O-N 2.78Å; V219-I221 PolarHBondContact O-N 3.44Å; V219-F222 PolarHBondContact O-N 3.5Å; V219-L223 HydrophobicContact CG1-CD1 3.96Å; V219-L223 HydrophobicContact CG1-CG 4.29Å; V219-L223 VanDerWaalsContact O-CG 3.28Å; V219-L223 WeakPolarHBondContact O-CG 3.48Å; V219-L223 PolarHBondContact O-N 3.11Å; V219-M292 HydrophobicContact CG2-SD 4.34Å; V219-F296 HydrophobicContact CG2-CE2 3.92Å; V219-F296 HydrophobicContact CG2-CZ 3.95Å |
| 220 | M | 94.4 | Very high | 91.9 | Very high | 109 Ų | 109 | 48 Ų | 48 | 54% | 0.537 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.8 | -45 | 177.7 | -76.9 | -62.9 | -157.2 | 0 | 0 | 112.3 | I216 H217 F222 L223 V224 | I216-M220 HydrophobicContact CG2-CG 4.41Å; I216-M220 WeakPolarHBondContact O-CB 3.36Å; I216-M220 WeakPolarHBondContact O-CG 3.4Å; I216-M220 PolarHBondContact O-N 3.03Å; H217-M220 PolarHBondContact O-N 3.03Å; M220-F222 PolarHBondContact O-N 3.36Å; M220-L223 PolarHBondContact O-N 2.89Å; M220-V224 WeakPolarHBondContact O-CB 3.3Å; M220-V224 WeakPolarHBondContact O-CG2 3.48Å; M220-V224 PolarHBondContact O-N 2.87Å |
| 221 | I | 94 | Very high | 93 | Very high | 13 Ų | 13 | 47.4 Ų | 47.4 | 7% | 0.067 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.8 | -46 | 176.5 | -74.3 | 171.5 | 0 | 0 | 0 | 111 | L126 E180 H217 S218 V219 L223 V224 Y225 Y291 | L126-I221 HydrophobicContact CD1-CG2 4.21Å; L126-I221 HydrophobicContact CD2-CD1 4.22Å; L126-I221 HydrophobicContact CD2-CG1 4.36Å; E180-I221 WeakPolarHBondContact OE1-CD1 3.47Å; H217-I221 WeakPolarHBondContact CE1-CD1 3.16Å; H217-I221 WeakPolarHBondContact O-CG1 3.46Å; H217-I221 PolarHBondContact O-N 3.23Å; S218-I221 PolarHBondContact O-N 3.28Å; V219-I221 PolarHBondContact O-N 3.44Å; I221-L223 VanDerWaalsContact C-N 3.32Å; I221-L223 PolarHBondContact O-N 2.91Å; I221-V224 PolarHBondContact O-N 3.4Å; I221-Y225 HydrophobicContact CG2-CD2 4.21Å; I221-Y225 WeakPolarHBondContact O-CB 3.4Å; I221-Y225 PolarHBondContact O-N 2.9Å; I221-Y291 HydrophobicContact CD1-CE1 3.93Å |
| 222 | F | 96.4 | Very high | 93.9 | Very high | 36 Ų | 36 | 46.4 Ų | 46.4 | 16% | 0.158 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.6 | -41.7 | 176.9 | 178.4 | -113.8 | 0 | 0 | 0 | 112.1 | S218 V219 M220 F226 L227 H288 | S218-F222 WeakPolarHBondContact O-CB 3.09Å; S218-F222 PolarHBondContact O-N 3.12Å; V219-F222 PolarHBondContact O-N 3.5Å; M220-F222 PolarHBondContact O-N 3.36Å; F222-F226 HydrophobicContact CD2-CB 3.95Å; F222-F226 HydrophobicContact CD2-CD1 4.08Å; F222-F226 HydrophobicContact CD2-CG 4.22Å; F222-F226 HydrophobicContact CE2-CB 4.15Å; F222-F226 AromaticContact CE2-CD1 3.39Å; F222-F226 HydrophobicContact CE2-CD1 3.39Å; F222-F226 HydrophobicContact CE2-CE1 4.04Å; F222-F226 AromaticContact CE2-CG 3.95Å; F222-F226 HydrophobicContact CE2-CG 3.95Å; F222-F226 AromaticContact CZ-CD1 3.95Å; F222-F226 HydrophobicContact CZ-CD1 3.95Å; F222-F226 HydrophobicContact CZ-CE1 4.46Å; F222-F226 WeakPolarHBondContact O-CA 3.47Å; F222-F226 WeakPolarHBondContact O-CB 3.3Å; F222-F226 PolarHBondContact O-N 3.33Å; F222-F226 VanDerWaalsContact O-N 3.15Å; F222-L227 PolarHBondContact O-N 3.24Å; F222-H288 HydrophobicContact CD2-CB 3.77Å; F222-H288 HydrophobicContact CE2-CB 4.32Å |
| 223 | L | 97.1 | Very high | 94.5 | Very high | 56 Ų | 56 | 41.5 Ų | 41.5 | 29% | 0.293 | 22% | 0.215 | S | C | . | . | I | π-helix | trans | -65.6 | -51.1 | 177.8 | -68.8 | 176.7 | 0 | 0 | 0 | 111.8 | V219 M220 I221 L227 I228 | V219-L223 HydrophobicContact CG1-CD1 3.96Å; V219-L223 HydrophobicContact CG1-CG 4.29Å; V219-L223 VanDerWaalsContact O-CG 3.28Å; V219-L223 WeakPolarHBondContact O-CG 3.48Å; V219-L223 PolarHBondContact O-N 3.11Å; M220-L223 PolarHBondContact O-N 2.89Å; I221-L223 VanDerWaalsContact C-N 3.32Å; I221-L223 PolarHBondContact O-N 2.91Å; L223-L227 HydrophobicContact CD2-CB 4.22Å; L223-L227 HydrophobicContact CD2-CD2 3.58Å; L223-L227 PolarHBondContact O-N 3.22Å; L223-I228 HydrophobicContact CB-CD1 4.28Å; L223-I228 WeakPolarHBondContact O-CB 3.35Å; L223-I228 WeakPolarHBondContact O-CG1 3.48Å; L223-I228 PolarHBondContact O-N 2.93Å |
| 224 | V | 96.9 | Very high | 95.1 | Very high | 42 Ų | 42 | 43.6 Ų | 43.6 | 26% | 0.255 | 23% | 0.233 | S | C | . | . | I | π-helix | trans | -73.1 | -41.5 | -171.7 | 171.9 | 0 | 0 | 0 | 0 | 112.5 | F134 L176 M220 I221 P229 | F134-V224 HydrophobicContact CZ-CG1 4.24Å; L176-V224 HydrophobicContact CD1-CG1 3.88Å; M220-V224 WeakPolarHBondContact O-CB 3.3Å; M220-V224 WeakPolarHBondContact O-CG2 3.48Å; M220-V224 PolarHBondContact O-N 2.87Å; I221-V224 PolarHBondContact O-N 3.4Å; V224-P229 WeakPolarHBondContact O-CD 3.11Å; V224-P229 WeakPolarHBondContact O-CG 3.37Å |
| 225 | Y | 96.5 | Very high | 95.7 | Very high | 5 Ų | 5 | 47.2 Ų | 47.2 | 2% | 0.02 | 26% | 0.255 | C | S | . | . | I | π-helix | trans | -98.3 | -7.3 | -173.5 | -68.6 | -88 | 0 | 0 | 0 | 113.8 | L126 V129 G130 F134 L176 A177 I221 | L126-Y225 HydrophobicContact CD1-CD1 3.98Å; L126-Y225 HydrophobicContact CD1-CD2 3.69Å; L126-Y225 HydrophobicContact CD1-CE1 3.88Å; L126-Y225 HydrophobicContact CD1-CE2 3.6Å; L126-Y225 HydrophobicContact CD1-CG 3.87Å; L126-Y225 HydrophobicContact CD2-CE2 3.81Å; L126-Y225 HydrophobicContact CG-CD2 4.35Å; L126-Y225 HydrophobicContact CG-CE1 3.95Å; L126-Y225 HydrophobicContact CG-CE2 3.74Å; L126-Y225 VanDerWaalsContact CG-CZ 3.49Å; L126-Y225 WeakPolarHBondContact O-CE1 3.34Å; V129-Y225 HydrophobicContact CB-CD1 4.34Å; V129-Y225 HydrophobicContact CG1-CD1 4.02Å; V129-Y225 HydrophobicContact CG1-CG 4.38Å; G130-Y225 VanDerWaalsContact CA-CE1 3.45Å; F134-Y225 HydrophobicContact CE2-CE1 4.28Å; F134-Y225 HydrophobicContact CZ-CD1 4.38Å; F134-Y225 HydrophobicContact CZ-CE1 4.26Å; L176-Y225 HydrophobicContact CB-CE2 4.48Å; L176-Y225 WeakPolarHBondContact CB-OH 3.36Å; L176-Y225 PolarHBondContact O-OH 2.68Å; A177-Y225 PolarHBondContact N-OH 3.14Å; I221-Y225 HydrophobicContact CG2-CD2 4.21Å; I221-Y225 WeakPolarHBondContact O-CB 3.4Å; I221-Y225 PolarHBondContact O-N 2.9Å |
| 226 | F | 96.5 | Very high | 96.1 | Very high | 16 Ų | 16 | 47.6 Ų | 47.6 | 7% | 0.07 | 26% | 0.255 | C | S | . | . | I | π-helix | trans | -131.3 | -66.3 | -179.1 | -165.2 | -92.5 | 0 | 0 | 0 | 112.6 | F222 L230 F280 A281 F285 H288 | F222-F226 HydrophobicContact CD2-CB 3.95Å; F222-F226 HydrophobicContact CD2-CD1 4.08Å; F222-F226 HydrophobicContact CD2-CG 4.22Å; F222-F226 HydrophobicContact CE2-CB 4.15Å; F222-F226 AromaticContact CE2-CD1 3.39Å; F222-F226 HydrophobicContact CE2-CD1 3.39Å; F222-F226 HydrophobicContact CE2-CE1 4.04Å; F222-F226 AromaticContact CE2-CG 3.95Å; F222-F226 HydrophobicContact CE2-CG 3.95Å; F222-F226 AromaticContact CZ-CD1 3.95Å; F222-F226 HydrophobicContact CZ-CD1 3.95Å; F222-F226 HydrophobicContact CZ-CE1 4.46Å; F222-F226 WeakPolarHBondContact O-CA 3.47Å; F222-F226 WeakPolarHBondContact O-CB 3.3Å; F222-F226 PolarHBondContact O-N 3.33Å; F222-F226 VanDerWaalsContact O-N 3.15Å; F226-L230 HydrophobicContact CD1-CD1 3.83Å; F226-L230 HydrophobicContact CD2-CD1 4.1Å; F226-L230 HydrophobicContact CE1-CD1 3.52Å; F226-L230 HydrophobicContact CE2-CD1 3.82Å; F226-L230 HydrophobicContact CG-CD1 4.1Å; F226-L230 HydrophobicContact CZ-CD1 3.49Å; F226-L230 VanDerWaalsContact CZ-CD1 3.49Å; F226-L230 VanDerWaalsContact O-CB 3.28Å; F226-L230 WeakPolarHBondContact O-CB 3.46Å; F226-L230 WeakPolarHBondContact O-CG 3.47Å; F226-L230 PolarHBondContact O-N 2.84Å; F226-L230 VanDerWaalsContact O-N 3.17Å; F226-F280 HydrophobicContact CD2-CE1 4.35Å; F226-A281 HydrophobicContact CE2-CB 4.35Å; F226-A281 HydrophobicContact CZ-CB 4.32Å; F226-F285 AromaticContact CE1-CD2 3.63Å; F226-F285 HydrophobicContact CE1-CD2 3.63Å; F226-F285 HydrophobicContact CE1-CE2 4.37Å; F226-F285 HydrophobicContact CE2-CB 3.77Å; F226-F285 HydrophobicContact CE2-CD2 4.32Å; F226-F285 HydrophobicContact CZ-CB 3.59Å; F226-F285 AromaticContact CZ-CD2 3.5Å; F226-F285 HydrophobicContact CZ-CD2 3.5Å; F226-F285 AromaticContact CZ-CG 3.99Å; F226-F285 HydrophobicContact CZ-CG 3.99Å; F226-H288 AromaticContact CD2-CD2 3.75Å |
| 227 | L | 97.6 | Very high | 96.3 | Very high | 74 Ų | 74 | 44.2 Ų | 44.2 | 39% | 0.387 | 24% | 0.236 | S | C | . | . | I | π-helix | trans | -70.4 | -50.3 | -168.3 | -168.9 | 65.6 | 0 | 0 | 0 | 113.8 | F222 L223 L230 T231 | F222-L227 PolarHBondContact O-N 3.24Å; L223-L227 HydrophobicContact CD2-CB 4.22Å; L223-L227 HydrophobicContact CD2-CD2 3.58Å; L223-L227 PolarHBondContact O-N 3.22Å; L227-L230 PolarHBondContact O-N 3.49Å; L227-T231 HydrophobicContact CD1-CG2 4.35Å; L227-T231 HydrophobicContact CG-CG2 4.42Å; L227-T231 WeakPolarHBondContact O-CB 3.19Å; L227-T231 VanDerWaalsContact O-CG2 3.24Å; L227-T231 WeakPolarHBondContact O-CG2 3.44Å; L227-T231 PolarHBondContact O-N 2.92Å; L227-T231 PolarHBondContact O-OG1 3.34Å |
| 228 | I | 98.1 | Very high | 96.7 | Very high | 82 Ų | 82 | 49.9 Ų | 49.9 | 42% | 0.421 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.5 | -49.3 | -178.3 | -66 | 168.1 | 0 | 0 | 0 | 110.9 | L223 L230 T231 I232 | L223-I228 HydrophobicContact CB-CD1 4.28Å; L223-I228 WeakPolarHBondContact O-CB 3.35Å; L223-I228 WeakPolarHBondContact O-CG1 3.48Å; L223-I228 PolarHBondContact O-N 2.93Å; I228-L230 PolarHBondContact O-N 2.98Å; I228-T231 WeakPolarHBondContact CA-OG1 3.49Å; I228-T231 PolarHBondContact O-N 3.3Å; I228-T231 PolarHBondContact O-OG1 3.23Å; I228-I232 HydrophobicContact CG2-CD1 3.82Å; I228-I232 VanDerWaalsContact O-CG1 3.3Å; I228-I232 WeakPolarHBondContact O-CG1 3.3Å; I228-I232 PolarHBondContact O-N 3.43Å |
| 229 | P | 98 | Very high | 96.8 | Very high | 4 Ų | 4 | 53 Ų | 53 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.2 | -42.9 | 177.2 | -25.8 | 36 | 0 | 0 | 0 | 113.3 | V133 F134 V224 I232 I233 | V133-P229 HydrophobicContact CB-CB 4.41Å; V133-P229 HydrophobicContact CG1-CB 4.28Å; V133-P229 HydrophobicContact CG1-CG 3.99Å; V133-P229 HydrophobicContact CG2-CB 3.36Å; V133-P229 HydrophobicContact CG2-CG 3.89Å; F134-P229 HydrophobicContact CD1-CG 4.35Å; F134-P229 HydrophobicContact CE1-CG 4.06Å; V224-P229 WeakPolarHBondContact O-CD 3.11Å; V224-P229 WeakPolarHBondContact O-CG 3.37Å; P229-I232 PolarHBondContact O-N 2.98Å; P229-I233 WeakPolarHBondContact O-CB 3.45Å; P229-I233 WeakPolarHBondContact O-CD1 3.43Å; P229-I233 WeakPolarHBondContact O-CG1 3.26Å; P229-I233 PolarHBondContact O-N 3.44Å |
| 230 | L | 97.9 | Very high | 96.8 | Very high | 26 Ų | 26 | 51 Ų | 51 | 14% | 0.136 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.3 | -36 | -179.8 | -71.7 | 178.2 | 0 | 0 | 0 | 112.6 | F226 L227 I228 I233 S234 V277 A281 | F226-L230 HydrophobicContact CD1-CD1 3.83Å; F226-L230 HydrophobicContact CD2-CD1 4.1Å; F226-L230 HydrophobicContact CE1-CD1 3.52Å; F226-L230 HydrophobicContact CE2-CD1 3.82Å; F226-L230 HydrophobicContact CG-CD1 4.1Å; F226-L230 HydrophobicContact CZ-CD1 3.49Å; F226-L230 VanDerWaalsContact CZ-CD1 3.49Å; F226-L230 VanDerWaalsContact O-CB 3.28Å; F226-L230 WeakPolarHBondContact O-CB 3.46Å; F226-L230 WeakPolarHBondContact O-CG 3.47Å; F226-L230 PolarHBondContact O-N 2.84Å; F226-L230 VanDerWaalsContact O-N 3.17Å; L227-L230 PolarHBondContact O-N 3.49Å; I228-L230 PolarHBondContact O-N 2.98Å; L230-I233 HydrophobicContact CD2-CD1 4.49Å; L230-I233 PolarHBondContact O-N 3.5Å; L230-S234 VanDerWaalsContact O-CB 3.29Å; L230-S234 WeakPolarHBondContact O-CB 3.37Å; L230-S234 PolarHBondContact O-N 3.35Å; L230-S234 PolarHBondContact O-OG 2.95Å; L230-V277 HydrophobicContact CD2-CG1 3.67Å; L230-A281 HydrophobicContact CD1-CB 4.08Å; L230-A281 HydrophobicContact CD2-CB 4.31Å |
| 231 | T | 98.3 | Very high | 96.9 | Very high | 70 Ų | 70 | 48 Ų | 48 | 43% | 0.429 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.8 | -45.4 | 173.9 | 52.2 | 0 | 0 | 0 | 0 | 111.2 | L227 I228 I233 S234 V235 | L227-T231 HydrophobicContact CD1-CG2 4.35Å; L227-T231 HydrophobicContact CG-CG2 4.42Å; L227-T231 WeakPolarHBondContact O-CB 3.19Å; L227-T231 VanDerWaalsContact O-CG2 3.24Å; L227-T231 WeakPolarHBondContact O-CG2 3.44Å; L227-T231 PolarHBondContact O-N 2.92Å; L227-T231 PolarHBondContact O-OG1 3.34Å; I228-T231 WeakPolarHBondContact CA-OG1 3.49Å; I228-T231 PolarHBondContact O-N 3.3Å; I228-T231 PolarHBondContact O-OG1 3.23Å; T231-I233 VanDerWaalsContact C-N 3.34Å; T231-I233 PolarHBondContact O-N 3.18Å; T231-S234 WeakPolarHBondContact O-CB 3.28Å; T231-S234 PolarHBondContact O-N 2.89Å; T231-V235 WeakPolarHBondContact O-CG2 3.28Å; T231-V235 PolarHBondContact O-N 2.91Å |
| 232 | I | 98.3 | Very high | 96.9 | Very high | 67 Ų | 67 | 54.6 Ų | 54.6 | 34% | 0.344 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -57.8 | -47.8 | 175 | -67.1 | 167.4 | 0 | 0 | 0 | 110.7 | T137 I228 P229 S234 V235 Y236 | T137-I232 HydrophobicContact CG2-CB 4.27Å; T137-I232 HydrophobicContact CG2-CG2 3.63Å; I228-I232 HydrophobicContact CG2-CD1 3.82Å; I228-I232 VanDerWaalsContact O-CG1 3.3Å; I228-I232 WeakPolarHBondContact O-CG1 3.3Å; I228-I232 PolarHBondContact O-N 3.43Å; P229-I232 PolarHBondContact O-N 2.98Å; I232-S234 VanDerWaalsContact C-N 3.33Å; I232-S234 PolarHBondContact O-N 3.47Å; I232-V235 PolarHBondContact O-N 3.25Å; I232-Y236 HydrophobicContact CG2-CD2 3.88Å; I232-Y236 HydrophobicContact CG2-CE2 3.42Å; I232-Y236 VanDerWaalsContact CG2-CE2 3.42Å; I232-Y236 VanDerWaalsContact O-CD2 3.28Å; I232-Y236 WeakPolarHBondContact O-CD2 3.31Å; I232-Y236 PolarHBondContact O-N 3.32Å; I232-Y236 VanDerWaalsContact O-N 3.1Å |
| 233 | I | 98 | Very high | 96.7 | Very high | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.015 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.4 | -46 | 177.5 | -69.5 | 161.4 | 0 | 0 | 0 | 110.5 | L136 T137 P229 L230 T231 V235 Y236 Y237 V277 | L136-I233 HydrophobicContact CB-CD1 4.35Å; T137-I233 HydrophobicContact CG2-CG1 4.43Å; P229-I233 WeakPolarHBondContact O-CB 3.45Å; P229-I233 WeakPolarHBondContact O-CD1 3.43Å; P229-I233 WeakPolarHBondContact O-CG1 3.26Å; P229-I233 PolarHBondContact O-N 3.44Å; L230-I233 HydrophobicContact CD2-CD1 4.49Å; L230-I233 PolarHBondContact O-N 3.5Å; T231-I233 VanDerWaalsContact C-N 3.34Å; T231-I233 PolarHBondContact O-N 3.18Å; I233-V235 VanDerWaalsContact C-N 3.31Å; I233-V235 PolarHBondContact O-N 3.34Å; I233-Y236 PolarHBondContact O-N 3.07Å; I233-Y236 VanDerWaalsContact O-N 3.16Å; I233-Y237 HydrophobicContact CG2-CD2 3.61Å; I233-Y237 HydrophobicContact CG2-CE2 3.76Å; I233-Y237 WeakPolarHBondContact O-CD2 3.39Å; I233-Y237 PolarHBondContact O-N 3.38Å; I233-V277 HydrophobicContact CD1-CG1 4.29Å; I233-V277 HydrophobicContact CD1-CG2 4.07Å; I233-V277 HydrophobicContact CG2-CB 4.42Å; I233-V277 HydrophobicContact CG2-CG1 3.86Å; I233-V277 HydrophobicContact CG2-CG2 3.87Å |
| 234 | S | 97.9 | Very high | 96.4 | Very high | 75 Ų | 75 | 54.2 Ų | 54.2 | 52% | 0.524 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.8 | -41.1 | 179.5 | -60.8 | 0 | 0 | 0 | 0 | 112.1 | L230 T231 I232 Y237 Y238 | L230-S234 VanDerWaalsContact O-CB 3.29Å; L230-S234 WeakPolarHBondContact O-CB 3.37Å; L230-S234 PolarHBondContact O-N 3.35Å; L230-S234 PolarHBondContact O-OG 2.95Å; T231-S234 WeakPolarHBondContact O-CB 3.28Å; T231-S234 PolarHBondContact O-N 2.89Å; I232-S234 VanDerWaalsContact C-N 3.33Å; I232-S234 PolarHBondContact O-N 3.47Å; S234-Y237 PolarHBondContact O-N 3.36Å; S234-Y238 WeakPolarHBondContact O-CB 3.01Å; S234-Y238 PolarHBondContact O-N 3.45Å |
| 235 | V | 97.9 | Very high | 96.1 | Very high | 79 Ų | 79 | 58 Ų | 58 | 48% | 0.479 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.5 | -46.6 | 174.8 | 171 | 0 | 0 | 0 | 0 | 111 | T231 I232 I233 Y237 Y238 H239 | T231-V235 WeakPolarHBondContact O-CG2 3.28Å; T231-V235 PolarHBondContact O-N 2.91Å; I232-V235 PolarHBondContact O-N 3.25Å; I233-V235 VanDerWaalsContact C-N 3.31Å; I233-V235 PolarHBondContact O-N 3.34Å; V235-Y237 PolarHBondContact O-N 2.69Å; V235-Y238 PolarHBondContact O-N 3.46Å; V235-H239 PolarHBondContact O-CD2 3.49Å; V235-H239 PolarHBondContact O-N 3.3Å; V235-H239 VanDerWaalsContact O-N 3.08Å |
| 236 | Y | 97.1 | Very high | 95.8 | Very high | 70 Ų | 70 | 64.2 Ų | 64.2 | 28% | 0.275 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.7 | -46.6 | 176 | -73.8 | -52.8 | 0 | 0 | 0 | 112.1 | A141 Y144 I232 I233 H239 I240 | A141-Y236 HydrophobicContact CB-CD2 4.26Å; A141-Y236 HydrophobicContact CB-CE1 4.22Å; A141-Y236 HydrophobicContact CB-CE2 3.63Å; Y144-Y236 AromaticContact CD1-CD1 3.87Å; Y144-Y236 HydrophobicContact CD1-CD1 3.87Å; Y144-Y236 HydrophobicContact CD1-CE1 4.02Å; Y144-Y236 HydrophobicContact CD2-CD1 4.2Å; Y144-Y236 AromaticContact CG-CD1 3.67Å; Y144-Y236 HydrophobicContact CG-CD1 3.67Å; Y144-Y236 HydrophobicContact CG-CE1 4.3Å; I232-Y236 HydrophobicContact CG2-CD2 3.88Å; I232-Y236 HydrophobicContact CG2-CE2 3.42Å; I232-Y236 VanDerWaalsContact CG2-CE2 3.42Å; I232-Y236 VanDerWaalsContact O-CD2 3.28Å; I232-Y236 WeakPolarHBondContact O-CD2 3.31Å; I232-Y236 PolarHBondContact O-N 3.32Å; I232-Y236 VanDerWaalsContact O-N 3.1Å; I233-Y236 PolarHBondContact O-N 3.07Å; I233-Y236 VanDerWaalsContact O-N 3.16Å; Y236-H239 PolarHBondContact O-N 3.32Å; Y236-I240 VanDerWaalsContact O-CG1 3.27Å; Y236-I240 WeakPolarHBondContact O-CG1 3.02Å; Y236-I240 PolarHBondContact O-N 2.97Å |
| 237 | Y | 96.5 | Very high | 95.2 | Very high | 28 Ų | 28 | 65.8 Ų | 65.8 | 11% | 0.11 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68.6 | -33.8 | -179.8 | -85.4 | -79.3 | 0 | 0 | 0 | 113.4 | S140 I233 S234 V235 I240 A241 A270 V273 L274 | S140-Y237 WeakPolarHBondContact OG-CE2 3.45Å; I233-Y237 HydrophobicContact CG2-CD2 3.61Å; I233-Y237 HydrophobicContact CG2-CE2 3.76Å; I233-Y237 WeakPolarHBondContact O-CD2 3.39Å; I233-Y237 PolarHBondContact O-N 3.38Å; S234-Y237 PolarHBondContact O-N 3.36Å; V235-Y237 PolarHBondContact O-N 2.69Å; Y237-I240 HydrophobicContact CD1-CD1 4.21Å; Y237-I240 HydrophobicContact CE1-CD1 4.34Å; Y237-I240 PolarHBondContact O-N 2.84Å; Y237-A241 WeakPolarHBondContact O-CB 3.22Å; Y237-A241 PolarHBondContact O-N 3.31Å; Y237-A270 HydrophobicContact CE1-CB 4.36Å; Y237-A270 WeakPolarHBondContact CE1-O 3.37Å; Y237-A270 PolarHBondContact OH-O 3.48Å; Y237-V273 WeakPolarHBondContact OH-CB 3.48Å; Y237-V273 VanDerWaalsContact OH-CG1 3.28Å; Y237-V273 WeakPolarHBondContact OH-CG1 3.34Å; Y237-L274 HydrophobicContact CD1-CB 4.45Å; Y237-L274 HydrophobicContact CD1-CD1 4.09Å; Y237-L274 HydrophobicContact CD1-CD2 4.41Å; Y237-L274 HydrophobicContact CD2-CD1 4.11Å; Y237-L274 HydrophobicContact CE1-CB 3.73Å; Y237-L274 HydrophobicContact CE1-CD1 4.13Å; Y237-L274 HydrophobicContact CE1-CD2 4.4Å; Y237-L274 HydrophobicContact CE1-CG 4.31Å; Y237-L274 HydrophobicContact CE2-CB 4.49Å; Y237-L274 HydrophobicContact CE2-CD1 4.16Å; Y237-L274 HydrophobicContact CG-CD1 4.08Å; Y237-L274 PolarHBondContact OH-N 3.35Å |
| 238 | Y | 96.5 | Very high | 94.6 | Very high | 143 Ų | 143 | 65.9 Ų | 65.9 | 56% | 0.561 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -58.8 | -48.9 | 170.9 | 170.8 | -99.8 | 0 | 0 | 0 | 111 | S234 V235 A241 R242 | S234-Y238 WeakPolarHBondContact O-CB 3.01Å; S234-Y238 PolarHBondContact O-N 3.45Å; V235-Y238 PolarHBondContact O-N 3.46Å; Y238-A241 PolarHBondContact O-N 3.49Å; Y238-R242 WeakPolarHBondContact O-CB 3.02Å; Y238-R242 PolarHBondContact O-N 3.39Å |
| 239 | H | 95.3 | Very high | 93.9 | Very high | 66 Ų | 66 | 71.8 Ų | 71.8 | 31% | 0.306 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -67.7 | -37.1 | 177.8 | -74.3 | -74.4 | 0 | 0 | 0 | 113.1 | Y144 V235 Y236 R242 T243 | Y144-H239 HydrophobicContact CD2-CB 4.04Å; Y144-H239 HydrophobicContact CE2-CB 3.57Å; V235-H239 PolarHBondContact O-CD2 3.49Å; V235-H239 PolarHBondContact O-N 3.3Å; V235-H239 VanDerWaalsContact O-N 3.08Å; Y236-H239 PolarHBondContact O-N 3.32Å; H239-R242 PolarHBondContact O-N 2.94Å; H239-T243 WeakPolarHBondContact O-CB 3.34Å; H239-T243 PolarHBondContact O-N 2.91Å; H239-T243 PolarHBondContact O-OG1 3.1Å |
| 240 | I | 94.7 | Very high | 93 | Very high | 7 Ų | 7 | 76.1 Ų | 76.1 | 4% | 0.036 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -57.2 | -51.6 | 172.2 | -70.6 | 166.9 | 0 | 0 | 0 | 109.5 | R143 Y144 I147 Y236 Y237 R242 T243 L244 | R143-I240 HydrophobicContact CB-CD1 4.44Å; Y144-I240 HydrophobicContact CD2-CG1 4.09Å; I147-I240 HydrophobicContact CD1-CG2 3.89Å; I147-I240 HydrophobicContact CG2-CG2 4.36Å; Y236-I240 VanDerWaalsContact O-CG1 3.27Å; Y236-I240 WeakPolarHBondContact O-CG1 3.02Å; Y236-I240 PolarHBondContact O-N 2.97Å; Y237-I240 HydrophobicContact CD1-CD1 4.21Å; Y237-I240 HydrophobicContact CE1-CD1 4.34Å; Y237-I240 PolarHBondContact O-N 2.84Å; I240-R242 PolarHBondContact O-N 3.48Å; I240-T243 PolarHBondContact O-N 3.36Å; I240-L244 HydrophobicContact CG2-CD1 3.84Å; I240-L244 HydrophobicContact CG2-CG 4.31Å; I240-L244 WeakPolarHBondContact O-CB 3.36Å; I240-L244 VanDerWaalsContact O-CG 3.25Å; I240-L244 WeakPolarHBondContact O-CG 3.5Å; I240-L244 PolarHBondContact O-N 2.87Å |
| 241 | A | 95.1 | Very high | 91.6 | Very high | 47 Ų | 47 | 79.8 Ų | 79.8 | 39% | 0.388 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.3 | -47.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y237 Y238 T243 L244 I245 | Y237-A241 WeakPolarHBondContact O-CB 3.22Å; Y237-A241 PolarHBondContact O-N 3.31Å; Y238-A241 PolarHBondContact O-N 3.49Å; A241-T243 PolarHBondContact O-N 3.1Å; A241-L244 PolarHBondContact O-N 3.34Å; A241-I245 VanDerWaalsContact O-CG1 3.27Å; A241-I245 WeakPolarHBondContact O-CG1 3.35Å; A241-I245 PolarHBondContact O-N 3.07Å |
| 242 | R | 94.8 | Very high | 89.3 | Confident | 150 Ų | 150 | 82.5 Ų | 82.5 | 57% | 0.566 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -59.1 | -45.7 | 178.3 | -174.5 | -179.1 | 173.4 | -161.3 | -1.7 | 112.3 | Y238 H239 I240 I245 K246 | Y238-R242 WeakPolarHBondContact O-CB 3.02Å; Y238-R242 PolarHBondContact O-N 3.39Å; H239-R242 PolarHBondContact O-N 2.94Å; I240-R242 PolarHBondContact O-N 3.48Å; R242-I245 PolarHBondContact O-N 3.46Å; R242-K246 WeakPolarHBondContact O-CB 3.16Å; R242-K246 PolarHBondContact O-N 3.29Å |
| 243 | T | 91.5 | Very high | 87.7 | Confident | 45 Ų | 45 | 81.9 Ų | 81.9 | 28% | 0.276 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65 | -41.2 | 178.7 | -62.5 | 0 | 0 | 0 | 0 | 111.5 | V148 H239 I240 A241 K246 S247 | V148-T243 HydrophobicContact CG1-CG2 4.41Å; V148-T243 HydrophobicContact CG2-CG2 4.11Å; H239-T243 WeakPolarHBondContact O-CB 3.34Å; H239-T243 PolarHBondContact O-N 2.91Å; H239-T243 PolarHBondContact O-OG1 3.1Å; I240-T243 PolarHBondContact O-N 3.36Å; A241-T243 PolarHBondContact O-N 3.1Å; T243-K246 PolarHBondContact O-N 3.42Å; T243-S247 VanDerWaalsContact O-CB 3.24Å; T243-S247 WeakPolarHBondContact O-CB 3.16Å; T243-S247 PolarHBondContact O-N 3.45Å |
| 244 | L | 91.1 | Very high | 86.3 | Confident | 39 Ų | 39 | 91.6 Ų | 91.6 | 20% | 0.204 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -65 | -40.4 | 177.5 | -71.2 | -179.5 | 0 | 0 | 0 | 112.5 | I147 I240 A241 A248 M263 K267 | I147-L244 HydrophobicContact CG2-CD2 3.68Å; I147-L244 HydrophobicContact CG2-CG 4.08Å; I240-L244 HydrophobicContact CG2-CD1 3.84Å; I240-L244 HydrophobicContact CG2-CG 4.31Å; I240-L244 WeakPolarHBondContact O-CB 3.36Å; I240-L244 VanDerWaalsContact O-CG 3.25Å; I240-L244 WeakPolarHBondContact O-CG 3.5Å; I240-L244 PolarHBondContact O-N 2.87Å; A241-L244 PolarHBondContact O-N 3.34Å; L244-A248 PolarHBondContact O-N 2.99Å; L244-M263 HydrophobicContact CD2-SD 4.11Å; L244-K267 HydrophobicContact CD1-CD 4.49Å; L244-K267 HydrophobicContact CD1-CG 4.1Å; L244-K267 HydrophobicContact CD2-CD 4.41Å; L244-K267 HydrophobicContact CD2-CG 4.26Å |
| 245 | I | 90.8 | Very high | 85.1 | Confident | 122 Ų | 122 | 90.9 Ų | 90.9 | 63% | 0.626 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -66.6 | -47.6 | 176.6 | -67 | 164.2 | 0 | 0 | 0 | 110.4 | A241 R242 S247 A248 Y249 | A241-I245 VanDerWaalsContact O-CG1 3.27Å; A241-I245 WeakPolarHBondContact O-CG1 3.35Å; A241-I245 PolarHBondContact O-N 3.07Å; R242-I245 PolarHBondContact O-N 3.46Å; I245-S247 VanDerWaalsContact C-N 3.31Å; I245-S247 PolarHBondContact O-N 3.17Å; I245-A248 PolarHBondContact O-N 2.92Å; I245-A248 VanDerWaalsContact O-N 3.12Å; I245-Y249 PolarHBondContact O-N 3.38Å; I245-Y249 VanDerWaalsContact O-N 3.15Å |
| 246 | K | 89.4 | Confident | 84.3 | Confident | 135 Ų | 135 | 90.2 Ų | 90.2 | 59% | 0.587 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60.2 | -41.6 | 177.2 | -173.9 | 179.5 | 179.8 | -176.1 | 0 | 111.7 | R242 T243 A248 Y249 N250 | R242-K246 WeakPolarHBondContact O-CB 3.16Å; R242-K246 PolarHBondContact O-N 3.29Å; T243-K246 PolarHBondContact O-N 3.42Å; K246-A248 VanDerWaalsContact C-N 3.3Å; K246-A248 PolarHBondContact O-N 3.36Å; K246-Y249 PolarHBondContact O-N 2.79Å; K246-N250 WeakPolarHBondContact O-CB 3.19Å; K246-N250 PolarHBondContact O-N 3.42Å |
| 247 | S | 84.7 | Confident | 83.6 | Confident | 49 Ų | 49 | 92 Ų | 92 | 34% | 0.343 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67 | -28.2 | 176.9 | -179.3 | 0 | 0 | 0 | 0 | 113 | T243 I245 M251 | T243-S247 VanDerWaalsContact O-CB 3.24Å; T243-S247 WeakPolarHBondContact O-CB 3.16Å; T243-S247 PolarHBondContact O-N 3.45Å; I245-S247 VanDerWaalsContact C-N 3.31Å; I245-S247 PolarHBondContact O-N 3.17Å; S247-M251 WeakPolarHBondContact O-CB 3.28Å |
| 248 | A | 85.1 | Confident | 82.9 | Confident | 77 Ų | 77 | 96.7 Ų | 96.7 | 64% | 0.636 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -75 | -35.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L244 I245 K246 | L244-A248 PolarHBondContact O-N 2.99Å; I245-A248 PolarHBondContact O-N 2.92Å; I245-A248 VanDerWaalsContact O-N 3.12Å; K246-A248 VanDerWaalsContact C-N 3.3Å; K246-A248 PolarHBondContact O-N 3.36Å |
| 249 | Y | 83.4 | Confident | 82.3 | Confident | 206 Ų | 206 | 93.1 Ų | 93.1 | 81% | 0.808 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -74.7 | -40.3 | 177.6 | -172.9 | -96.6 | 0 | 0 | 0 | 112.6 | I245 K246 M251 | I245-Y249 PolarHBondContact O-N 3.38Å; I245-Y249 VanDerWaalsContact O-N 3.15Å; K246-Y249 PolarHBondContact O-N 2.79Å; Y249-M251 VanDerWaalsContact C-N 3.29Å; Y249-M251 PolarHBondContact O-N 3.06Å |
| 250 | N | 78.6 | Confident | 81.8 | Confident | 95 Ų | 95 | 95 Ų | 95 | 51% | 0.508 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 16.8 | -174.8 | -71.6 | -9.2 | 0 | 0 | 0 | 114.8 | K246 P252 | K246-N250 WeakPolarHBondContact O-CB 3.19Å; K246-N250 PolarHBondContact O-N 3.42Å; N250-P252 WeakPolarHBondContact O-CD 3.2Å |
| 251 | M | 68.1 | Low | 81.4 | Confident | 103 Ų | 103 | 102.4 Ų | 102.4 | 51% | 0.507 | 53% | 0.533 | S | S | . | . | trans | -108.7 | 74.6 | -174.2 | -165.9 | 177.5 | -74.8 | 0 | 0 | 113.3 | S247 Y249 V255 | S247-M251 WeakPolarHBondContact O-CB 3.28Å; Y249-M251 VanDerWaalsContact C-N 3.29Å; Y249-M251 PolarHBondContact O-N 3.06Å; M251-V255 HydrophobicContact CE-CG2 3.99Å; M251-V255 HydrophobicContact CG-CG2 3.83Å; M251-V255 HydrophobicContact SD-CG2 3.55Å; M251-V255 VanDerWaalsContact SD-CG2 3.55Å | ||
| 252 | P | 51.8 | Low | 81 | Confident | 126 Ų | 126 | 104.1 Ų | 104.1 | 82% | 0.818 | 53% | 0.533 | S | S | * | . | trans | -94.3 | 86.1 | 158.7 | 34.5 | -24.8 | 0 | 0 | 0 | 108.4 | N250 | N250-P252 WeakPolarHBondContact O-CD 3.2Š| ||
| 253 | G | 64.7 | Low | 80.6 | Confident | 54 Ų | 54 | 99.3 Ų | 99.3 | 56% | 0.557 | 52% | 0.517 | S | S | * | . | S | Bend | trans | 179.6 | 147.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | V255 | G253-V255 VanDerWaalsContact C-N 3.33Å; G253-V255 PolarHBondContact O-N 3.38Å |
| 254 | E | 66.8 | Low | 80.5 | Confident | 208 Ų | 208 | 102.1 Ų | 102.1 | 97% | 0.972 | 53% | 0.527 | S | S | * | . | trans | -68.7 | 85.2 | 178 | -163.4 | 173.9 | -169.5 | 0 | 0 | 110.1 | ||||
| 255 | V | 73.6 | Confident | 80.4 | Confident | 59 Ų | 59 | 104.1 Ų | 104.1 | 36% | 0.358 | 54% | 0.541 | S | S | . | . | trans | -72.4 | 129.6 | 174.2 | -173.7 | 0 | 0 | 0 | 0 | 108.6 | M251 G253 E257 T259 | M251-V255 HydrophobicContact CE-CG2 3.99Å; M251-V255 HydrophobicContact CG-CG2 3.83Å; M251-V255 HydrophobicContact SD-CG2 3.55Å; M251-V255 VanDerWaalsContact SD-CG2 3.55Å; G253-V255 VanDerWaalsContact C-N 3.33Å; G253-V255 PolarHBondContact O-N 3.38Å; V255-E257 PolarHBondContact O-N 3.3Å; V255-T259 HydrophobicContact CG1-CG2 3.96Å | ||
| 256 | S | 80.8 | Confident | 80.3 | Confident | 66 Ų | 66 | 101.1 Ų | 101.1 | 46% | 0.462 | 52% | 0.522 | S | S | . | . | trans | -54.4 | 135.3 | 179.6 | 70.2 | 0 | 0 | 0 | 0 | 111.5 | H258 T259 K260 | S256-H258 PolarHBondContact O-N 3.44Å; S256-T259 WeakPolarHBondContact O-CB 3.36Å; S256-T259 PolarHBondContact O-N 2.87Å; S256-T259 PolarHBondContact OG-OG1 2.96Å; S256-K260 PolarHBondContact O-N 3.16Å; S256-K260 VanDerWaalsContact O-N 3.16Å | ||
| 257 | E | 83.3 | Confident | 80.3 | Confident | 108 Ų | 108 | 99.2 Ų | 99.2 | 51% | 0.505 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -51.2 | -33.4 | 179.2 | -86.1 | -68.6 | 121.8 | 0 | 0 | 112.5 | V255 K260 R261 | V255-E257 PolarHBondContact O-N 3.3Å; E257-K260 PolarHBondContact O-N 2.96Å; E257-K260 IonicContact OE1-NZ 3.98Å; E257-R261 WeakPolarHBondContact O-CG 3.11Å; E257-R261 PolarHBondContact O-N 2.85Å |
| 258 | H | 82 | Confident | 80.6 | Confident | 125 Ų | 125 | 102.4 Ų | 102.4 | 58% | 0.579 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.4 | -44.8 | 175.3 | -177 | -102.5 | 0 | 0 | 0 | 112.9 | S256 K260 R261 Q262 | S256-H258 PolarHBondContact O-N 3.44Å; H258-K260 VanDerWaalsContact C-N 3.34Å; H258-K260 PolarHBondContact O-N 3.43Å; H258-R261 PolarHBondContact O-N 3.43Å; H258-Q262 PolarHBondContact CE1-NE2 3.19Å; H258-Q262 WeakPolarHBondContact O-CG 3.31Å; H258-Q262 PolarHBondContact O-N 3.19Å |
| 259 | T | 83.4 | Confident | 80.8 | Confident | 68 Ų | 68 | 101.4 Ų | 101.4 | 42% | 0.417 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.2 | -38.8 | 178.5 | -54 | 0 | 0 | 0 | 0 | 111.2 | V255 S256 Q262 M263 | V255-T259 HydrophobicContact CG1-CG2 3.96Å; S256-T259 WeakPolarHBondContact O-CB 3.36Å; S256-T259 PolarHBondContact O-N 2.87Å; S256-T259 PolarHBondContact OG-OG1 2.96Å; T259-Q262 PolarHBondContact O-N 3.08Å; T259-M263 WeakPolarHBondContact O-CB 3.06Å; T259-M263 PolarHBondContact O-N 3.14Å |
| 260 | K | 84.6 | Confident | 81.3 | Confident | 105 Ų | 105 | 91.9 Ų | 91.9 | 46% | 0.457 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.8 | -49.4 | 175.6 | -174.2 | 179.5 | 173.5 | -172.8 | 0 | 111.7 | S256 E257 H258 Q262 M263 E264 | S256-K260 PolarHBondContact O-N 3.16Å; S256-K260 VanDerWaalsContact O-N 3.16Å; E257-K260 PolarHBondContact O-N 2.96Å; E257-K260 IonicContact OE1-NZ 3.98Å; H258-K260 VanDerWaalsContact C-N 3.34Å; H258-K260 PolarHBondContact O-N 3.43Å; K260-Q262 VanDerWaalsContact C-N 3.34Å; K260-Q262 PolarHBondContact O-N 3.49Å; K260-M263 PolarHBondContact O-N 3.1Å; K260-E264 WeakPolarHBondContact O-CG 3.47Å; K260-E264 PolarHBondContact O-N 3.34Å |
| 261 | R | 85.9 | Confident | 81.9 | Confident | 164 Ų | 164 | 94.3 Ų | 94.3 | 62% | 0.619 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60.4 | -40.4 | 176.5 | -71.4 | 176.2 | -174.5 | -165 | 1 | 112.8 | E257 H258 E264 T265 | E257-R261 WeakPolarHBondContact O-CG 3.11Å; E257-R261 PolarHBondContact O-N 2.85Å; H258-R261 PolarHBondContact O-N 3.43Å; R261-E264 PolarHBondContact O-N 3.35Å; R261-T265 PolarHBondContact O-N 3Å; R261-T265 PolarHBondContact O-OG1 3.11Å |
| 262 | Q | 86 | Confident | 83.1 | Confident | 82 Ų | 82 | 90.1 Ų | 90.1 | 38% | 0.383 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.9 | -44.3 | 175.2 | -74 | -167.9 | -1.3 | 0 | 0 | 111.9 | H258 T259 K260 T265 R266 | H258-Q262 PolarHBondContact CE1-NE2 3.19Å; H258-Q262 WeakPolarHBondContact O-CG 3.31Å; H258-Q262 PolarHBondContact O-N 3.19Å; T259-Q262 PolarHBondContact O-N 3.08Å; K260-Q262 VanDerWaalsContact C-N 3.34Å; K260-Q262 PolarHBondContact O-N 3.49Å; Q262-T265 WeakPolarHBondContact O-CB 3.39Å; Q262-T265 PolarHBondContact O-N 3.46Å; Q262-R266 WeakPolarHBondContact O-CG 3.24Å; Q262-R266 PolarHBondContact O-N 3.35Å |
| 263 | M | 88 | Confident | 85.1 | Confident | 49 Ų | 49 | 84.5 Ų | 84.5 | 24% | 0.241 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 177.4 | 179.9 | 58.9 | 73.6 | 0 | 0 | 112 | I147 L244 T259 K260 T265 R266 K267 | I147-M263 HydrophobicContact CG2-SD 4.47Å; L244-M263 HydrophobicContact CD2-SD 4.11Å; T259-M263 WeakPolarHBondContact O-CB 3.06Å; T259-M263 PolarHBondContact O-N 3.14Å; K260-M263 PolarHBondContact O-N 3.1Å; M263-T265 VanDerWaalsContact C-N 3.3Å; M263-T265 PolarHBondContact O-N 2.97Å; M263-R266 PolarHBondContact O-N 3.34Å; M263-K267 HydrophobicContact CG-CD 4.41Å; M263-K267 WeakPolarHBondContact O-CG 3.34Å; M263-K267 PolarHBondContact O-N 3.24Å; M263-K267 HydrophobicContact SD-CG 4.43Å |
| 264 | E | 89.2 | Confident | 86.5 | Confident | 105 Ų | 105 | 86 Ų | 86 | 49% | 0.491 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -58.6 | -42.1 | 174.9 | -73.9 | 175.8 | -178 | 0 | 0 | 112 | K260 R261 K267 R268 | K260-E264 WeakPolarHBondContact O-CG 3.47Å; K260-E264 PolarHBondContact O-N 3.34Å; R261-E264 PolarHBondContact O-N 3.35Å; E264-K267 PolarHBondContact O-N 3.17Å; E264-R268 WeakPolarHBondContact O-CB 3.29Å; E264-R268 PolarHBondContact O-N 2.88Å |
| 265 | T | 87.4 | Confident | 87.9 | Confident | 80 Ų | 80 | 78.5 Ų | 78.5 | 49% | 0.491 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62 | -45.1 | 175.6 | -57.3 | 0 | 0 | 0 | 0 | 111.2 | R261 Q262 M263 R268 L269 | R261-T265 PolarHBondContact O-N 3Å; R261-T265 PolarHBondContact O-OG1 3.11Å; Q262-T265 WeakPolarHBondContact O-CB 3.39Å; Q262-T265 PolarHBondContact O-N 3.46Å; M263-T265 VanDerWaalsContact C-N 3.3Å; M263-T265 PolarHBondContact O-N 2.97Å; T265-R268 PolarHBondContact O-N 3.22Å; T265-L269 HydrophobicContact CG2-CD1 4.28Å; T265-L269 VanDerWaalsContact O-CG 3.31Å; T265-L269 WeakPolarHBondContact O-CG 3.44Å; T265-L269 PolarHBondContact O-N 3.22Å |
| 266 | R | 88.9 | Confident | 88.9 | Confident | 60 Ų | 60 | 76 Ų | 76 | 23% | 0.226 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 177.4 | -68.3 | 175.1 | -173.2 | -170 | 5.6 | 112 | A146 I147 Q262 M263 L269 A270 | A146-R266 WeakPolarHBondContact O-CD 3.47Å; A146-R266 PolarHBondContact O-NH1 3.13Å; I147-R266 HydrophobicContact CG1-CB 3.92Å; Q262-R266 WeakPolarHBondContact O-CG 3.24Å; Q262-R266 PolarHBondContact O-N 3.35Å; M263-R266 PolarHBondContact O-N 3.34Å; R266-L269 PolarHBondContact O-N 3.02Å; R266-A270 PolarHBondContact O-N 3.44Å |
| 267 | K | 90.5 | Very high | 89.6 | Confident | 95 Ų | 95 | 73.4 Ų | 73.4 | 41% | 0.413 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60 | -46.4 | 174.4 | -74 | 176.3 | 177.1 | 178.1 | 0 | 111.9 | L244 M263 E264 L269 A270 K271 | L244-K267 HydrophobicContact CD1-CD 4.49Å; L244-K267 HydrophobicContact CD1-CG 4.1Å; L244-K267 HydrophobicContact CD2-CD 4.41Å; L244-K267 HydrophobicContact CD2-CG 4.26Å; M263-K267 HydrophobicContact CG-CD 4.41Å; M263-K267 WeakPolarHBondContact O-CG 3.34Å; M263-K267 PolarHBondContact O-N 3.24Å; M263-K267 HydrophobicContact SD-CG 4.43Å; E264-K267 PolarHBondContact O-N 3.17Å; K267-L269 VanDerWaalsContact C-N 3.33Å; K267-L269 PolarHBondContact O-N 3.38Å; K267-A270 PolarHBondContact O-N 3.2Å; K267-K271 PolarHBondContact O-N 3.19Å |
| 268 | R | 90.3 | Very high | 90.3 | Very high | 116 Ų | 116 | 69.8 Ų | 69.8 | 44% | 0.438 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -56.6 | -48.7 | 176 | -178.6 | -179.4 | 176.2 | 177.6 | 4 | 110.6 | E264 T265 A270 K271 I272 L332 | E264-R268 WeakPolarHBondContact O-CB 3.29Å; E264-R268 PolarHBondContact O-N 2.88Å; T265-R268 PolarHBondContact O-N 3.22Å; R268-A270 PolarHBondContact O-N 2.67Å; R268-K271 WeakPolarHBondContact O-CB 3.46Å; R268-K271 PolarHBondContact O-N 3.33Å; R268-I272 HydrophobicContact CG-CD1 4.5Å; R268-I272 WeakPolarHBondContact O-CG1 3Å; R268-I272 PolarHBondContact O-N 3.38Å; R268-L332 PolarHBondContact NH2-O 3.33Å |
| 269 | L | 90 | Very high | 91 | Very high | 56 Ų | 56 | 66 Ų | 66 | 29% | 0.293 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.5 | -41.2 | 178.9 | -66.9 | 172.5 | 0 | 0 | 0 | 112.4 | T265 R266 K267 K271 I272 V273 | T265-L269 HydrophobicContact CG2-CD1 4.28Å; T265-L269 VanDerWaalsContact O-CG 3.31Å; T265-L269 WeakPolarHBondContact O-CG 3.44Å; T265-L269 PolarHBondContact O-N 3.22Å; R266-L269 PolarHBondContact O-N 3.02Å; K267-L269 VanDerWaalsContact C-N 3.33Å; K267-L269 PolarHBondContact O-N 3.38Å; L269-K271 VanDerWaalsContact C-N 3.32Å; L269-K271 PolarHBondContact O-N 2.91Å; L269-I272 PolarHBondContact O-N 3.4Å; L269-V273 PolarHBondContact O-N 3.16Å; L269-V273 VanDerWaalsContact O-N 3.11Å |
| 270 | A | 92.6 | Very high | 91.6 | Very high | 5 Ų | 5 | 63.4 Ų | 63.4 | 4% | 0.041 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.3 | -38.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R143 I147 Y237 R266 K267 R268 V273 L274 | R143-A270 HydrophobicContact CB-CB 4.15Å; R143-A270 HydrophobicContact CG-CB 4.31Å; I147-A270 HydrophobicContact CD1-CB 3.72Å; Y237-A270 HydrophobicContact CE1-CB 4.36Å; Y237-A270 WeakPolarHBondContact CE1-O 3.37Å; Y237-A270 PolarHBondContact OH-O 3.48Å; R266-A270 PolarHBondContact O-N 3.44Å; K267-A270 PolarHBondContact O-N 3.2Å; R268-A270 PolarHBondContact O-N 2.67Å; A270-V273 PolarHBondContact O-N 2.87Å; A270-L274 PolarHBondContact O-N 3.1Å |
| 271 | K | 92.6 | Very high | 92.1 | Very high | 146 Ų | 146 | 59.5 Ų | 59.5 | 64% | 0.635 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62.7 | -40.7 | 173.8 | -174.8 | 178 | -179.8 | 176.2 | 0 | 111.9 | K267 R268 L269 L274 V275 | K267-K271 PolarHBondContact O-N 3.19Å; R268-K271 WeakPolarHBondContact O-CB 3.46Å; R268-K271 PolarHBondContact O-N 3.33Å; L269-K271 VanDerWaalsContact C-N 3.32Å; L269-K271 PolarHBondContact O-N 2.91Å; K271-L274 PolarHBondContact O-N 2.9Å; K271-V275 WeakPolarHBondContact O-CG2 3.47Å; K271-V275 PolarHBondContact O-N 3.42Å |
| 272 | I | 91.9 | Very high | 92.7 | Very high | 15 Ų | 15 | 57.4 Ų | 57.4 | 8% | 0.077 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.1 | -48.6 | 177.2 | -63.9 | -179.6 | 0 | 0 | 0 | 110.8 | R268 L269 L274 V275 F276 L332 | R268-I272 HydrophobicContact CG-CD1 4.5Å; R268-I272 WeakPolarHBondContact O-CG1 3Å; R268-I272 PolarHBondContact O-N 3.38Å; L269-I272 PolarHBondContact O-N 3.4Å; I272-L274 VanDerWaalsContact C-N 3.29Å; I272-L274 PolarHBondContact O-N 3.46Å; I272-V275 PolarHBondContact O-N 3.29Å; I272-F276 HydrophobicContact CG2-CD2 4.21Å; I272-F276 HydrophobicContact CG2-CE2 3.78Å; I272-F276 HydrophobicContact CG2-CZ 4.31Å; I272-F276 PolarHBondContact O-N 3.35Å; I272-F276 VanDerWaalsContact O-N 3.09Å; I272-L332 HydrophobicContact CD1-CB 4.09Å; I272-L332 HydrophobicContact CG1-CB 3.89Å; I272-L332 HydrophobicContact CG1-CD1 4.44Å; I272-L332 HydrophobicContact CG2-CB 4.48Å; I272-L332 HydrophobicContact CG2-CD1 4.19Å |
| 273 | V | 94 | Very high | 93.2 | Very high | 9 Ų | 9 | 53.9 Ų | 53.9 | 6% | 0.055 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61 | -39.7 | 178.1 | 175.3 | 0 | 0 | 0 | 0 | 110.9 | L139 R143 Y237 L269 A270 V275 F276 V277 | L139-V273 HydrophobicContact CB-CG1 3.86Å; L139-V273 HydrophobicContact CB-CG2 4.04Å; L139-V273 HydrophobicContact CD2-CG2 4.3Å; R143-V273 HydrophobicContact CG-CB 4.47Å; R143-V273 HydrophobicContact CG-CG2 4.03Å; Y237-V273 WeakPolarHBondContact OH-CB 3.48Å; Y237-V273 VanDerWaalsContact OH-CG1 3.28Å; Y237-V273 WeakPolarHBondContact OH-CG1 3.34Å; L269-V273 PolarHBondContact O-N 3.16Å; L269-V273 VanDerWaalsContact O-N 3.11Å; A270-V273 PolarHBondContact O-N 2.87Å; V273-V275 VanDerWaalsContact C-N 3.33Å; V273-V275 PolarHBondContact O-N 2.63Å; V273-F276 PolarHBondContact O-N 2.96Å; V273-V277 HydrophobicContact CG1-CG2 4.49Å; V273-V277 VanDerWaalsContact O-CG2 3.3Å; V273-V277 WeakPolarHBondContact O-CG2 3.4Å; V273-V277 PolarHBondContact O-N 3.06Å |
| 274 | L | 95.4 | Very high | 93.6 | Very high | 86 Ų | 86 | 51.8 Ų | 51.8 | 45% | 0.45 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.2 | -39.5 | 177.6 | -175.3 | 62.6 | 0 | 0 | 0 | 112 | Y237 A270 K271 I272 V277 G278 | Y237-L274 HydrophobicContact CD1-CB 4.45Å; Y237-L274 HydrophobicContact CD1-CD1 4.09Å; Y237-L274 HydrophobicContact CD1-CD2 4.41Å; Y237-L274 HydrophobicContact CD2-CD1 4.11Å; Y237-L274 HydrophobicContact CE1-CB 3.73Å; Y237-L274 HydrophobicContact CE1-CD1 4.13Å; Y237-L274 HydrophobicContact CE1-CD2 4.4Å; Y237-L274 HydrophobicContact CE1-CG 4.31Å; Y237-L274 HydrophobicContact CE2-CB 4.49Å; Y237-L274 HydrophobicContact CE2-CD1 4.16Å; Y237-L274 HydrophobicContact CG-CD1 4.08Å; Y237-L274 PolarHBondContact OH-N 3.35Å; A270-L274 PolarHBondContact O-N 3.1Å; K271-L274 PolarHBondContact O-N 2.9Å; I272-L274 VanDerWaalsContact C-N 3.29Å; I272-L274 PolarHBondContact O-N 3.46Å; L274-V277 PolarHBondContact O-N 3.4Å; L274-G278 PolarHBondContact O-N 2.96Å |
| 275 | V | 95.4 | Very high | 93.9 | Very high | 50 Ų | 50 | 51.6 Ų | 51.6 | 30% | 0.303 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 175 | 173.2 | 0 | 0 | 0 | 0 | 110.5 | K271 I272 V273 V277 G278 L279 L332 | K271-V275 WeakPolarHBondContact O-CG2 3.47Å; K271-V275 PolarHBondContact O-N 3.42Å; I272-V275 PolarHBondContact O-N 3.29Å; V273-V275 VanDerWaalsContact C-N 3.33Å; V273-V275 PolarHBondContact O-N 2.63Å; V275-V277 VanDerWaalsContact C-N 3.33Å; V275-V277 PolarHBondContact O-N 2.93Å; V275-G278 PolarHBondContact O-N 3.36Å; V275-L279 HydrophobicContact CG1-CD1 3.63Å; V275-L279 HydrophobicContact CG1-CG 4.25Å; V275-L279 WeakPolarHBondContact O-CD1 3.33Å; V275-L279 VanDerWaalsContact O-CG 3.24Å; V275-L279 WeakPolarHBondContact O-CG 3.36Å; V275-L279 PolarHBondContact O-N 3.47Å; V275-L332 HydrophobicContact CB-CD1 3.88Å; V275-L332 HydrophobicContact CG1-CD1 3.75Å; V275-L332 HydrophobicContact CG2-CD1 4.26Å |
| 276 | F | 94.5 | Very high | 94.3 | Very high | 5 Ų | 5 | 49.6 Ų | 49.6 | 2% | 0.022 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.5 | -40.1 | 175 | -70.6 | -44.4 | 0 | 0 | 0 | 113.4 | I84 L136 I272 V273 G278 L279 F280 A328 L329 | I84-F276 HydrophobicContact CG1-CE2 4.46Å; L136-F276 HydrophobicContact CD1-CB 4.48Å; L136-F276 HydrophobicContact CD2-CB 3.5Å; L136-F276 VanDerWaalsContact CD2-CB 3.5Å; L136-F276 HydrophobicContact CD2-CD2 4.34Å; L136-F276 HydrophobicContact CD2-CG 4.31Å; I272-F276 HydrophobicContact CG2-CD2 4.21Å; I272-F276 HydrophobicContact CG2-CE2 3.78Å; I272-F276 HydrophobicContact CG2-CZ 4.31Å; I272-F276 PolarHBondContact O-N 3.35Å; I272-F276 VanDerWaalsContact O-N 3.09Å; V273-F276 PolarHBondContact O-N 2.96Å; F276-G278 VanDerWaalsContact C-N 3.33Å; F276-G278 PolarHBondContact O-N 3.33Å; F276-L279 PolarHBondContact O-N 2.88Å; F276-F280 WeakPolarHBondContact O-CB 3.45Å; F276-F280 PolarHBondContact O-N 2.81Å; F276-A328 HydrophobicContact CD1-CB 4.1Å; F276-A328 HydrophobicContact CE1-CB 3.6Å; F276-L329 HydrophobicContact CE1-CG 4.39Å; F276-L329 HydrophobicContact CE2-CD2 4.12Å; F276-L329 HydrophobicContact CZ-CD1 4.44Å; F276-L329 HydrophobicContact CZ-CD2 3.55Å; F276-L329 HydrophobicContact CZ-CG 3.68Å |
| 277 | V | 96.6 | Very high | 94.5 | Very high | 12 Ų | 12 | 48.1 Ų | 48.1 | 7% | 0.073 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.4 | -45.3 | 175.4 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | L136 L230 I233 V273 L274 V275 F280 A281 | L136-V277 HydrophobicContact CB-CG2 4.1Å; L136-V277 HydrophobicContact CD1-CG2 4.37Å; L136-V277 HydrophobicContact CD2-CG2 4.48Å; L230-V277 HydrophobicContact CD2-CG1 3.67Å; I233-V277 HydrophobicContact CD1-CG1 4.29Å; I233-V277 HydrophobicContact CD1-CG2 4.07Å; I233-V277 HydrophobicContact CG2-CB 4.42Å; I233-V277 HydrophobicContact CG2-CG1 3.86Å; I233-V277 HydrophobicContact CG2-CG2 3.87Å; V273-V277 HydrophobicContact CG1-CG2 4.49Å; V273-V277 VanDerWaalsContact O-CG2 3.3Å; V273-V277 WeakPolarHBondContact O-CG2 3.4Å; V273-V277 PolarHBondContact O-N 3.06Å; L274-V277 PolarHBondContact O-N 3.4Å; V275-V277 VanDerWaalsContact C-N 3.33Å; V275-V277 PolarHBondContact O-N 2.93Å; V277-F280 PolarHBondContact O-N 2.69Å; V277-A281 WeakPolarHBondContact O-CB 3.4Å; V277-A281 PolarHBondContact O-N 3.25Å |
| 278 | G | 96.9 | Very high | 94.8 | Very high | 33 Ų | 33 | 44 Ų | 44 | 34% | 0.34 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61 | -45 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | L274 V275 F276 A281 L282 | L274-G278 PolarHBondContact O-N 2.96Å; V275-G278 PolarHBondContact O-N 3.36Å; F276-G278 VanDerWaalsContact C-N 3.33Å; F276-G278 PolarHBondContact O-N 3.33Å; G278-A281 PolarHBondContact O-N 3Å; G278-L282 WeakPolarHBondContact O-CB 3.35Å; G278-L282 WeakPolarHBondContact O-CG 3.21Å; G278-L282 PolarHBondContact O-N 2.65Å |
| 279 | L | 95.9 | Very high | 94.9 | Very high | 46 Ų | 46 | 41 Ų | 41 | 24% | 0.241 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.3 | -41.4 | 179.1 | -65.3 | 162.9 | 0 | 0 | 0 | 111.9 | V275 F276 C283 V324 A328 | V275-L279 HydrophobicContact CG1-CD1 3.63Å; V275-L279 HydrophobicContact CG1-CG 4.25Å; V275-L279 WeakPolarHBondContact O-CD1 3.33Å; V275-L279 VanDerWaalsContact O-CG 3.24Å; V275-L279 WeakPolarHBondContact O-CG 3.36Å; V275-L279 PolarHBondContact O-N 3.47Å; F276-L279 PolarHBondContact O-N 2.88Å; L279-C283 VanDerWaalsContact O-CB 3.31Å; L279-C283 WeakPolarHBondContact O-CB 3.41Å; L279-C283 PolarHBondContact O-N 2.03Å; L279-C283 PolarHBondContact O-SG 2.93Å; L279-V324 HydrophobicContact CB-CG1 4.12Å; L279-V324 HydrophobicContact CD1-CG1 3.61Å; L279-V324 HydrophobicContact CD2-CG1 3.84Å; L279-V324 HydrophobicContact CG-CG1 4.03Å; L279-A328 HydrophobicContact CD1-CB 3.84Å |
| 280 | F | 96.1 | Very high | 95 | Very high | 13 Ų | 13 | 39 Ų | 39 | 6% | 0.057 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.9 | -51.1 | 172.3 | 173.6 | -91.8 | 0 | 0 | 0 | 110.9 | V129 V133 L136 F226 F276 V277 L282 C283 W284 | V129-F280 HydrophobicContact CG1-CE2 4.21Å; V129-F280 HydrophobicContact CG1-CZ 4.09Å; V133-F280 HydrophobicContact CB-CE1 3.82Å; V133-F280 HydrophobicContact CB-CE2 3.98Å; V133-F280 HydrophobicContact CB-CZ 3.51Å; V133-F280 HydrophobicContact CG1-CZ 4.44Å; V133-F280 HydrophobicContact CG2-CD1 4.05Å; V133-F280 HydrophobicContact CG2-CE1 3.43Å; V133-F280 VanDerWaalsContact CG2-CE1 3.43Å; V133-F280 HydrophobicContact CG2-CE2 4.48Å; V133-F280 HydrophobicContact CG2-CZ 3.7Å; L136-F280 HydrophobicContact CD1-CB 3.77Å; L136-F280 HydrophobicContact CD1-CG 4.1Å; F226-F280 HydrophobicContact CD2-CE1 4.35Å; F276-F280 WeakPolarHBondContact O-CB 3.45Å; F276-F280 PolarHBondContact O-N 2.81Å; V277-F280 PolarHBondContact O-N 2.69Å; F280-L282 PolarHBondContact O-N 2.72Å; F280-C283 PolarHBondContact O-N 2.92Å; F280-W284 AromaticContact CD2-CD1 3.47Å; F280-W284 VanDerWaalsContact CD2-CD1 3.47Å; F280-W284 HydrophobicContact CD2-CG 4.31Å; F280-W284 AromaticContact CD2-NE1 3.97Å; F280-W284 HydrophobicContact CE2-CB 4.49Å; F280-W284 AromaticContact CE2-CD1 3.43Å; F280-W284 VanDerWaalsContact CE2-CD1 3.43Å; F280-W284 AromaticContact CE2-CG 3.92Å; F280-W284 HydrophobicContact CE2-CG 3.92Å; F280-W284 AromaticContact CE2-NE1 3.86Å; F280-W284 HydrophobicContact CZ-CB 4.33Å; F280-W284 HydrophobicContact CZ-CG 4.2Å; F280-W284 WeakPolarHBondContact O-CB 3.45Å; F280-W284 PolarHBondContact O-N 3.43Å |
| 281 | A | 96.9 | Very high | 94.9 | Very high | 23 Ų | 23 | 41.1 Ų | 41.1 | 19% | 0.19 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.6 | -47.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | F226 L230 V277 G278 C283 F285 | F226-A281 HydrophobicContact CE2-CB 4.35Å; F226-A281 HydrophobicContact CZ-CB 4.32Å; L230-A281 HydrophobicContact CD1-CB 4.08Å; L230-A281 HydrophobicContact CD2-CB 4.31Å; V277-A281 WeakPolarHBondContact O-CB 3.4Å; V277-A281 PolarHBondContact O-N 3.25Å; G278-A281 PolarHBondContact O-N 3Å; A281-C283 VanDerWaalsContact C-N 3.31Å; A281-C283 PolarHBondContact O-N 3.13Å; A281-F285 WeakPolarHBondContact O-CB 3.4Å; A281-F285 PolarHBondContact O-N 3.44Å |
| 282 | L | 96.8 | Very high | 94.9 | Very high | 120 Ų | 120 | 36.7 Ų | 36.7 | 63% | 0.628 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -59.9 | -42.5 | 177.7 | -71.7 | 171.4 | 0 | 0 | 0 | 111.7 | G278 F280 P286 L317 | G278-L282 WeakPolarHBondContact O-CB 3.35Å; G278-L282 WeakPolarHBondContact O-CG 3.21Å; G278-L282 PolarHBondContact O-N 2.65Å; F280-L282 PolarHBondContact O-N 2.72Å; L282-P286 VanDerWaalsContact O-CD 3.31Å; L282-P286 WeakPolarHBondContact O-CD 3.35Å; L282-L317 WeakPolarHBondContact O-CD2 3.35Å |
| 283 | C | 96.5 | Very high | 94.8 | Very high | 8 Ų | 8 | 39.4 Ų | 39.4 | 5% | 0.054 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -74.4 | -39.7 | -174.8 | -66 | 0 | 0 | 0 | 0 | 113.6 | L279 F280 A281 L317 S318 | L279-C283 VanDerWaalsContact O-CB 3.31Å; L279-C283 WeakPolarHBondContact O-CB 3.41Å; L279-C283 PolarHBondContact O-N 2.03Å; L279-C283 PolarHBondContact O-SG 2.93Å; F280-C283 PolarHBondContact O-N 2.92Å; A281-C283 VanDerWaalsContact C-N 3.31Å; A281-C283 PolarHBondContact O-N 3.13Å; C283-L317 HydrophobicContact CB-CG 4.38Å; C283-L317 WeakPolarHBondContact CB-O 3.48Å; C283-L317 CarbonylContact O-C 3.54Å; C283-S318 WeakPolarHBondContact O-CA 3.38Å; C283-S318 PolarHBondContact O-N 2.98Å |
| 284 | W | 96.1 | Very high | 94.5 | Very high | 5 Ų | 5 | 42.4 Ų | 42.4 | 2% | 0.019 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -92.8 | -23.8 | -173.1 | -75.3 | 94.2 | 0 | 0 | 0 | 113.9 | V129 F280 N287 H288 S321 | V129-W284 HydrophobicContact CG1-CD2 4.49Å; V129-W284 HydrophobicContact CG1-CE3 4.46Å; V129-W284 HydrophobicContact CG2-CD2 4.04Å; V129-W284 HydrophobicContact CG2-CE3 3.7Å; V129-W284 HydrophobicContact CG2-CH2 3.17Å; V129-W284 HydrophobicContact CG2-CZ2 3.53Å; V129-W284 HydrophobicContact CG2-CZ3 3.25Å; F280-W284 AromaticContact CD2-CD1 3.47Å; F280-W284 VanDerWaalsContact CD2-CD1 3.47Å; F280-W284 HydrophobicContact CD2-CG 4.31Å; F280-W284 AromaticContact CD2-NE1 3.97Å; F280-W284 HydrophobicContact CE2-CB 4.49Å; F280-W284 AromaticContact CE2-CD1 3.43Å; F280-W284 VanDerWaalsContact CE2-CD1 3.43Å; F280-W284 AromaticContact CE2-CG 3.92Å; F280-W284 HydrophobicContact CE2-CG 3.92Å; F280-W284 AromaticContact CE2-NE1 3.86Å; F280-W284 HydrophobicContact CZ-CB 4.33Å; F280-W284 HydrophobicContact CZ-CG 4.2Å; F280-W284 WeakPolarHBondContact O-CB 3.45Å; F280-W284 PolarHBondContact O-N 3.43Å; W284-N287 PolarHBondContact O-N 3.15Å; W284-H288 PolarHBondContact O-CD2 2.98Å; W284-H288 VanDerWaalsContact O-CD2 3.31Å; W284-H288 PolarHBondContact O-N 3.46Å; W284-S321 PolarHBondContact NE1-OG 3.03Å |
| 285 | F | 96.3 | Very high | 94.1 | Very high | 101 Ų | 101 | 38.4 Ų | 38.4 | 44% | 0.443 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -54.8 | -52 | -177.2 | 176.2 | -106.8 | 0 | 0 | 0 | 113.3 | F226 A281 N287 H288 V289 | F226-F285 AromaticContact CE1-CD2 3.63Å; F226-F285 HydrophobicContact CE1-CD2 3.63Å; F226-F285 HydrophobicContact CE1-CE2 4.37Å; F226-F285 HydrophobicContact CE2-CB 3.77Å; F226-F285 HydrophobicContact CE2-CD2 4.32Å; F226-F285 HydrophobicContact CZ-CB 3.59Å; F226-F285 AromaticContact CZ-CD2 3.5Å; F226-F285 HydrophobicContact CZ-CD2 3.5Å; F226-F285 AromaticContact CZ-CG 3.99Å; F226-F285 HydrophobicContact CZ-CG 3.99Å; A281-F285 WeakPolarHBondContact O-CB 3.4Å; A281-F285 PolarHBondContact O-N 3.44Å; F285-N287 VanDerWaalsContact C-N 3.26Å; F285-N287 PolarHBondContact O-N 2.93Å; F285-H288 PolarHBondContact O-N 3.02Å; F285-V289 HydrophobicContact CD1-CG2 4.33Å; F285-V289 HydrophobicContact CD2-CG2 3.88Å; F285-V289 HydrophobicContact CE1-CG2 3.96Å; F285-V289 HydrophobicContact CE2-CG2 3.48Å; F285-V289 VanDerWaalsContact CE2-CG2 3.48Å; F285-V289 HydrophobicContact CG-CG2 4.31Å; F285-V289 HydrophobicContact CZ-CG2 3.53Å; F285-V289 WeakPolarHBondContact O-CG2 3.34Å; F285-V289 PolarHBondContact O-N 2.76Å |
| 286 | P | 96 | Very high | 93.7 | Very high | 38 Ų | 38 | 40.8 Ų | 40.8 | 25% | 0.247 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61 | -37.4 | -177.6 | -24.6 | 37.4 | 0 | 0 | 0 | 112.3 | L282 L290 A314 L317 | L282-P286 VanDerWaalsContact O-CD 3.31Å; L282-P286 WeakPolarHBondContact O-CD 3.35Å; P286-L290 WeakPolarHBondContact O-CB 3.44Å; P286-L290 WeakPolarHBondContact O-CG 3.2Å; P286-L290 PolarHBondContact O-N 3.35Å; P286-A314 HydrophobicContact CB-CB 3.69Å; P286-L317 HydrophobicContact CG-CD2 3.81Å |
| 287 | N | 94.1 | Very high | 93.2 | Very high | 28 Ų | 28 | 43.9 Ų | 43.9 | 15% | 0.15 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.8 | -43 | 178.9 | -174.9 | 74.9 | 0 | 0 | 0 | 111.9 | W284 F285 L290 Y291 | W284-N287 PolarHBondContact O-N 3.15Å; F285-N287 VanDerWaalsContact C-N 3.26Å; F285-N287 PolarHBondContact O-N 2.93Å; N287-L290 PolarHBondContact O-N 2.84Å; N287-Y291 WeakPolarHBondContact O-CB 3.19Å; N287-Y291 PolarHBondContact O-N 2.99Å |
| 288 | H | 94.9 | Very high | 92 | Very high | 9 Ų | 9 | 46.2 Ų | 46.2 | 4% | 0.042 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64 | -43.8 | 175.5 | -80.1 | -65.3 | 0 | 0 | 0 | 112.5 | F222 F226 W284 F285 L290 Y291 M292 | F222-H288 HydrophobicContact CD2-CB 3.77Å; F222-H288 HydrophobicContact CE2-CB 4.32Å; F226-H288 AromaticContact CD2-CD2 3.75Å; W284-H288 PolarHBondContact O-CD2 2.98Å; W284-H288 VanDerWaalsContact O-CD2 3.31Å; W284-H288 PolarHBondContact O-N 3.46Å; F285-H288 PolarHBondContact O-N 3.02Å; H288-L290 VanDerWaalsContact C-N 3.33Å; H288-L290 PolarHBondContact O-N 3.44Å; H288-Y291 PolarHBondContact O-N 2.92Å; H288-M292 WeakPolarHBondContact O-CB 3.48Å; H288-M292 PolarHBondContact O-N 2.89Å |
| 289 | V | 94 | Very high | 90.6 | Very high | 52 Ų | 52 | 50.9 Ų | 50.9 | 32% | 0.315 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.3 | -43.7 | 176.8 | 175 | 0 | 0 | 0 | 0 | 110.7 | F285 M292 Y293 | F285-V289 HydrophobicContact CD1-CG2 4.33Å; F285-V289 HydrophobicContact CD2-CG2 3.88Å; F285-V289 HydrophobicContact CE1-CG2 3.96Å; F285-V289 HydrophobicContact CE2-CG2 3.48Å; F285-V289 VanDerWaalsContact CE2-CG2 3.48Å; F285-V289 HydrophobicContact CG-CG2 4.31Å; F285-V289 HydrophobicContact CZ-CG2 3.53Å; F285-V289 WeakPolarHBondContact O-CG2 3.34Å; F285-V289 PolarHBondContact O-N 2.76Å; V289-M292 PolarHBondContact O-N 3.31Å; V289-Y293 VanDerWaalsContact O-CB 3.31Å; V289-Y293 WeakPolarHBondContact O-CB 3.33Å; V289-Y293 PolarHBondContact O-N 3.46Å |
| 290 | L | 92.3 | Very high | 89.3 | Confident | 14 Ų | 14 | 54.5 Ų | 54.5 | 7% | 0.073 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.9 | -40.6 | 177.3 | -79.3 | -176.9 | 0 | 0 | 0 | 113.5 | P286 N287 H288 M292 Y293 R294 I310 A314 | P286-L290 WeakPolarHBondContact O-CB 3.44Å; P286-L290 WeakPolarHBondContact O-CG 3.2Å; P286-L290 PolarHBondContact O-N 3.35Å; N287-L290 PolarHBondContact O-N 2.84Å; H288-L290 VanDerWaalsContact C-N 3.33Å; H288-L290 PolarHBondContact O-N 3.44Å; L290-M292 VanDerWaalsContact C-N 3.29Å; L290-M292 PolarHBondContact O-N 3.41Å; L290-Y293 PolarHBondContact O-N 2.65Å; L290-R294 WeakPolarHBondContact O-CB 3.31Å; L290-R294 WeakPolarHBondContact O-CG 3.46Å; L290-R294 PolarHBondContact O-N 2.99Å; L290-I310 HydrophobicContact CD1-CG2 4.11Å; L290-I310 HydrophobicContact CD2-CG2 3.93Å; L290-I310 HydrophobicContact CG-CG2 4.29Å; L290-A314 HydrophobicContact CD1-CB 3.29Å; L290-A314 HydrophobicContact CG-CB 4.29Å |
| 291 | Y | 90.4 | Very high | 87.5 | Confident | 51 Ų | 51 | 60.5 Ų | 60.5 | 20% | 0.2 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 176.2 | -178.2 | -107.4 | 0 | 0 | 0 | 110.6 | H217 I221 N287 H288 S295 | H217-Y291 PolarHBondContact ND1-OH 3.46Å; I221-Y291 HydrophobicContact CD1-CE1 3.93Å; N287-Y291 WeakPolarHBondContact O-CB 3.19Å; N287-Y291 PolarHBondContact O-N 2.99Å; H288-Y291 PolarHBondContact O-N 2.92Å; Y291-S295 PolarHBondContact O-N 3.15Å; Y291-S295 VanDerWaalsContact O-N 3.14Å |
| 292 | M | 91.6 | Very high | 85.9 | Confident | 53 Ų | 53 | 63 Ų | 63 | 26% | 0.261 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.6 | -54.4 | 172.9 | -169 | 174.9 | 67.8 | 0 | 0 | 110.9 | V219 H288 V289 L290 R294 S295 F296 | V219-M292 HydrophobicContact CG2-SD 4.34Å; H288-M292 WeakPolarHBondContact O-CB 3.48Å; H288-M292 PolarHBondContact O-N 2.89Å; V289-M292 PolarHBondContact O-N 3.31Å; L290-M292 VanDerWaalsContact C-N 3.29Å; L290-M292 PolarHBondContact O-N 3.41Å; M292-R294 VanDerWaalsContact C-N 3.31Å; M292-R294 PolarHBondContact O-N 3.41Å; M292-S295 WeakPolarHBondContact O-CB 3.4Å; M292-S295 PolarHBondContact O-N 3.07Å; M292-S295 PolarHBondContact O-OG 2.97Å; M292-F296 HydrophobicContact CG-CD2 3.97Å; M292-F296 HydrophobicContact CG-CE2 3.74Å; M292-F296 WeakPolarHBondContact O-CD2 3.13Å; M292-F296 PolarHBondContact O-N 2.99Å |
| 293 | Y | 90.5 | Very high | 84.5 | Confident | 72 Ų | 72 | 65 Ų | 65 | 28% | 0.282 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -51.3 | -47.4 | -179.9 | 173.8 | -95.4 | 0 | 0 | 0 | 112.8 | V289 L290 S295 F296 H297 D302 H307 | V289-Y293 VanDerWaalsContact O-CB 3.31Å; V289-Y293 WeakPolarHBondContact O-CB 3.33Å; V289-Y293 PolarHBondContact O-N 3.46Å; L290-Y293 PolarHBondContact O-N 2.65Å; Y293-S295 VanDerWaalsContact C-N 3.34Å; Y293-S295 PolarHBondContact O-N 3.1Å; Y293-F296 PolarHBondContact O-N 3.34Å; Y293-H297 AromaticContact CD2-ND1 3.76Å; Y293-H297 AromaticContact CE2-CE1 3.79Å; Y293-H297 AromaticContact CE2-ND1 3.62Å; Y293-H297 PolarHBondContact O-N 3.42Å; Y293-H297 PolarHBondContact O-ND1 2.85Å; Y293-D302 PolarHBondContact OH-OD2 2.73Å; Y293-H307 AromaticContact CD1-CE1 3.8Å; Y293-H307 AromaticContact CE1-CE1 3.47Å; Y293-H307 VanDerWaalsContact CE1-CE1 3.47Å; Y293-H307 WeakPolarHBondContact CE1-CE1 3.41Å; Y293-H307 AromaticContact CE1-ND1 3.79Å |
| 294 | R | 87.4 | Confident | 83.8 | Confident | 71 Ų | 71 | 67.4 Ų | 67.4 | 27% | 0.268 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.4 | -37.2 | 176.7 | -75.7 | -175.3 | 177 | 96.5 | 26.6 | 113.7 | L290 M292 F296 H297 Y298 H307 T311 | L290-R294 WeakPolarHBondContact O-CB 3.31Å; L290-R294 WeakPolarHBondContact O-CG 3.46Å; L290-R294 PolarHBondContact O-N 2.99Å; M292-R294 VanDerWaalsContact C-N 3.31Å; M292-R294 PolarHBondContact O-N 3.41Å; R294-F296 VanDerWaalsContact C-N 3.27Å; R294-F296 PolarHBondContact O-N 2.92Å; R294-H297 CarbonylContact O-C 3.57Å; R294-H297 PolarHBondContact O-N 2.89Å; R294-Y298 WeakPolarHBondContact O-CA 3.38Å; R294-Y298 PolarHBondContact O-N 2.84Å; R294-Y298 VanDerWaalsContact O-N 3.14Å; R294-H307 PolarHBondContact NH2-NE2 2.81Å; R294-T311 PolarHBondContact NH2-OG1 3.3Å |
| 295 | S | 87.6 | Confident | 83.2 | Confident | 3 Ų | 3 | 73 Ų | 73 | 2% | 0.021 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67.2 | -29.6 | 178.1 | 74.3 | 0 | 0 | 0 | 0 | 112.8 | P214 K215 S218 Y291 M292 Y293 | P214-S295 WeakPolarHBondContact O-CB 3.46Å; K215-S295 WeakPolarHBondContact CG-O 3.36Å; S218-S295 VanDerWaalsContact CB-OG 3.28Å; S218-S295 WeakPolarHBondContact CB-OG 3.45Å; S218-S295 PolarHBondContact OG-OG 2.85Å; Y291-S295 PolarHBondContact O-N 3.15Å; Y291-S295 VanDerWaalsContact O-N 3.14Å; M292-S295 WeakPolarHBondContact O-CB 3.4Å; M292-S295 PolarHBondContact O-N 3.07Å; M292-S295 PolarHBondContact O-OG 2.97Å; Y293-S295 VanDerWaalsContact C-N 3.34Å; Y293-S295 PolarHBondContact O-N 3.1Å |
| 296 | F | 87 | Confident | 82.6 | Confident | 99 Ų | 99 | 71 Ų | 71 | 43% | 0.434 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -83.5 | -33.5 | 177.1 | -79.8 | -93.6 | 0 | 0 | 0 | 112.6 | K215 V219 M292 Y293 R294 | K215-F296 HydrophobicContact CB-CE1 4.31Å; K215-F296 HydrophobicContact CB-CE2 4.4Å; K215-F296 HydrophobicContact CB-CZ 4.17Å; K215-F296 HydrophobicContact CD-CD1 4.09Å; K215-F296 HydrophobicContact CD-CE1 4.23Å; K215-F296 HydrophobicContact CG-CD1 4.21Å; K215-F296 HydrophobicContact CG-CE1 4.32Å; K215-F296 HydrophobicContact CG-CG 4.34Å; V219-F296 HydrophobicContact CG2-CE2 3.92Å; V219-F296 HydrophobicContact CG2-CZ 3.95Å; M292-F296 HydrophobicContact CG-CD2 3.97Å; M292-F296 HydrophobicContact CG-CE2 3.74Å; M292-F296 WeakPolarHBondContact O-CD2 3.13Å; M292-F296 PolarHBondContact O-N 2.99Å; Y293-F296 PolarHBondContact O-N 3.34Å; R294-F296 VanDerWaalsContact C-N 3.27Å; R294-F296 PolarHBondContact O-N 2.92Å |
| 297 | H | 83.8 | Confident | 82.2 | Confident | 71 Ų | 71 | 71 Ų | 71 | 33% | 0.329 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -106.2 | 32.4 | -177 | -63.1 | 77.9 | 0 | 0 | 0 | 112.5 | Y293 R294 H299 Q300 | Y293-H297 AromaticContact CD2-ND1 3.76Å; Y293-H297 AromaticContact CE2-CE1 3.79Å; Y293-H297 AromaticContact CE2-ND1 3.62Å; Y293-H297 PolarHBondContact O-N 3.42Å; Y293-H297 PolarHBondContact O-ND1 2.85Å; R294-H297 CarbonylContact O-C 3.57Å; R294-H297 PolarHBondContact O-N 2.89Å; H297-H299 PolarHBondContact O-N 3.03Å; H297-Q300 HydrophobicContact CB-CB 4.43Å; H297-Q300 PolarHBondContact CD2-OE1 3.42Å; H297-Q300 PolarHBondContact O-N 3.44Å |
| 298 | Y | 71.5 | Confident | 81.9 | Confident | 61 Ų | 61 | 73 Ų | 73 | 24% | 0.239 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -24.8 | -173.1 | -171.8 | -108.1 | 0 | 0 | 0 | 114.3 | Y206 L208 R294 M301 | Y206-Y298 AromaticContact CE2-CD2 3.96Å; Y206-Y298 HydrophobicContact CE2-CD2 3.96Å; Y206-Y298 AromaticContact CE2-CE2 3.66Å; Y206-Y298 HydrophobicContact CE2-CE2 3.66Å; Y206-Y298 AromaticContact CZ-CD2 3.93Å; Y206-Y298 AromaticContact CZ-CE2 3.84Å; Y206-Y298 WeakPolarHBondContact OH-CD2 3.33Å; Y206-Y298 WeakPolarHBondContact OH-CE2 3.16Å; L208-Y298 HydrophobicContact CD2-CE1 3.64Å; L208-Y298 WeakPolarHBondContact CD2-OH 3.33Å; R294-Y298 WeakPolarHBondContact O-CA 3.38Å; R294-Y298 PolarHBondContact O-N 2.84Å; R294-Y298 VanDerWaalsContact O-N 3.14Å; Y298-M301 WeakPolarHBondContact O-CE 3.41Å |
| 299 | H | 66.8 | Low | 81.6 | Confident | 130 Ų | 130 | 76 Ų | 76 | 60% | 0.602 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | -9.8 | -179.9 | -65.9 | -0.2 | 0 | 0 | 0 | 114.4 | Q211 H297 | Q211-H299 PolarHBondContact NE2-CE1 3.43Å; Q211-H299 PolarHBondContact NE2-NE2 3.38Å; Q211-H299 PolarHBondContact OE1-CE1 2.91Å; H297-H299 PolarHBondContact O-N 3.03Å |
| 300 | Q | 68.8 | Low | 81.5 | Confident | 123 Ų | 123 | 78 Ų | 78 | 58% | 0.575 | 39% | 0.391 | S | S | * | . | trans | -103.6 | 99.8 | 179.8 | -65.7 | 178.6 | 6.3 | 0 | 0 | 107.3 | H297 D302 | H297-Q300 HydrophobicContact CB-CB 4.43Å; H297-Q300 PolarHBondContact CD2-OE1 3.42Å; H297-Q300 PolarHBondContact O-N 3.44Å; Q300-D302 PolarHBondContact O-N 2.82Å; Q300-D302 VanDerWaalsContact O-N 3.16Å | ||
| 301 | M | 57.4 | Low | 81.5 | Confident | 138 Ų | 138 | 77.9 Ų | 77.9 | 68% | 0.68 | 39% | 0.391 | S | S | * | . | trans | -81 | 93.5 | 175.9 | -62.9 | -63.7 | 164.8 | 0 | 0 | 108.4 | Y298 L303 | Y298-M301 WeakPolarHBondContact O-CE 3.41Å; M301-L303 HydrophobicContact CB-CD1 3.74Å; M301-L303 WeakPolarHBondContact O-CD1 3.46Å; M301-L303 PolarHBondContact O-N 3.23Å | ||
| 302 | D | 64.4 | Low | 81.6 | Confident | 77 Ų | 77 | 76.6 Ų | 76.6 | 41% | 0.412 | 39% | 0.388 | S | S | . | . | trans | -75.1 | 94 | 171.9 | -79.1 | -11.7 | 0 | 0 | 0 | 109.6 | Y293 Q300 S304 H307 | Y293-D302 PolarHBondContact OH-OD2 2.73Å; Q300-D302 PolarHBondContact O-N 2.82Å; Q300-D302 VanDerWaalsContact O-N 3.16Å; D302-S304 PolarHBondContact O-N 3.25Å; D302-H307 HydrophobicContact CB-CB 4.42Å | ||
| 303 | L | 66.3 | Low | 81.8 | Confident | 162 Ų | 162 | 78.1 Ų | 78.1 | 85% | 0.848 | 40% | 0.4 | S | S | * | . | trans | -74.8 | 19.3 | 174.5 | -86.2 | 79.9 | 0 | 0 | 0 | 113.2 | M301 | M301-L303 HydrophobicContact CB-CD1 3.74Å; M301-L303 WeakPolarHBondContact O-CD1 3.46Å; M301-L303 PolarHBondContact O-N 3.23Å | ||
| 304 | S | 83.5 | Confident | 82 | Confident | 58 Ų | 58 | 74.7 Ų | 74.7 | 41% | 0.406 | 39% | 0.386 | S | S | . | . | trans | -69.5 | 138.7 | -179.7 | 73.8 | 0 | 0 | 0 | 0 | 111.4 | D302 A306 H307 L308 | D302-S304 PolarHBondContact O-N 3.25Å; S304-A306 PolarHBondContact O-N 2.86Å; S304-A306 VanDerWaalsContact O-N 3.16Å; S304-H307 PolarHBondContact O-N 2.93Å; S304-H307 WeakPolarHBondContact OG-CB 3.21Å; S304-H307 PolarHBondContact OG-N 2.97Å; S304-L308 PolarHBondContact O-N 3.47Å; S304-L308 VanDerWaalsContact O-N 3.1Å | ||
| 305 | L | 81.6 | Confident | 82.4 | Confident | 121 Ų | 121 | 74.5 Ų | 74.5 | 63% | 0.634 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -53.1 | -35.8 | 171.9 | -171.6 | 99.6 | 0 | 0 | 0 | 111.2 | L308 V309 | L305-L308 PolarHBondContact O-N 3.02Å; L305-V309 HydrophobicContact CG-CG2 4.5Å; L305-V309 WeakPolarHBondContact O-CG2 3.42Å; L305-V309 PolarHBondContact O-N 3.31Å |
| 306 | A | 85.3 | Confident | 82.8 | Confident | 59 Ų | 59 | 75.8 Ų | 75.8 | 49% | 0.488 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.8 | -47 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S304 L308 V309 I310 | S304-A306 PolarHBondContact O-N 2.86Å; S304-A306 VanDerWaalsContact O-N 3.16Å; A306-L308 VanDerWaalsContact C-N 3.32Å; A306-L308 PolarHBondContact O-N 3.36Å; A306-V309 PolarHBondContact O-N 3.41Å; A306-I310 WeakPolarHBondContact O-CB 3.34Å; A306-I310 WeakPolarHBondContact O-CD1 3.28Å; A306-I310 WeakPolarHBondContact O-CG1 3.47Å; A306-I310 PolarHBondContact O-N 2.87Å |
| 307 | H | 87 | Confident | 83.2 | Confident | 39 Ų | 39 | 73.9 Ų | 73.9 | 18% | 0.181 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 176.6 | -169.9 | 83.2 | 0 | 0 | 0 | 111.1 | Y293 R294 D302 S304 T311 | Y293-H307 AromaticContact CD1-CE1 3.8Å; Y293-H307 AromaticContact CE1-CE1 3.47Å; Y293-H307 VanDerWaalsContact CE1-CE1 3.47Å; Y293-H307 WeakPolarHBondContact CE1-CE1 3.41Å; Y293-H307 AromaticContact CE1-ND1 3.79Å; R294-H307 PolarHBondContact NH2-NE2 2.81Å; D302-H307 HydrophobicContact CB-CB 4.42Å; S304-H307 PolarHBondContact O-N 2.93Å; S304-H307 WeakPolarHBondContact OG-CB 3.21Å; S304-H307 PolarHBondContact OG-N 2.97Å; H307-T311 WeakPolarHBondContact O-CB 3.33Å; H307-T311 PolarHBondContact O-N 2.88Å; H307-T311 PolarHBondContact O-OG1 2.98Å |
| 308 | L | 87.3 | Confident | 83.8 | Confident | 69 Ų | 69 | 70.6 Ų | 70.6 | 36% | 0.361 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -57.1 | -55.7 | 174.6 | 178.8 | 66.2 | 0 | 0 | 0 | 111.2 | S304 L305 A306 I310 T311 L312 | S304-L308 PolarHBondContact O-N 3.47Å; S304-L308 VanDerWaalsContact O-N 3.1Å; L305-L308 PolarHBondContact O-N 3.02Å; A306-L308 VanDerWaalsContact C-N 3.32Å; A306-L308 PolarHBondContact O-N 3.36Å; L308-I310 PolarHBondContact O-N 3.2Å; L308-T311 WeakPolarHBondContact O-CA 3.32Å; L308-T311 VanDerWaalsContact O-CB 3.24Å; L308-T311 WeakPolarHBondContact O-CB 3.3Å; L308-T311 PolarHBondContact O-N 3.48Å; L308-L312 HydrophobicContact CD1-CD1 4.2Å; L308-L312 HydrophobicContact CD1-CD2 4.34Å; L308-L312 HydrophobicContact CD1-CG 4.21Å; L308-L312 HydrophobicContact CG-CD1 4.07Å; L308-L312 HydrophobicContact CG-CG 4.41Å; L308-L312 WeakPolarHBondContact O-CG 3.24Å; L308-L312 PolarHBondContact O-N 3Å |
| 309 | V | 90 | Very high | 85 | Confident | 72 Ų | 72 | 67.8 Ų | 67.8 | 44% | 0.436 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.5 | -46.9 | -177.7 | 171.2 | 0 | 0 | 0 | 0 | 111.6 | L305 A306 T311 L312 V313 | L305-V309 HydrophobicContact CG-CG2 4.5Å; L305-V309 WeakPolarHBondContact O-CG2 3.42Å; L305-V309 PolarHBondContact O-N 3.31Å; A306-V309 PolarHBondContact O-N 3.41Å; V309-T311 PolarHBondContact O-N 3.3Å; V309-L312 PolarHBondContact O-N 3.25Å; V309-V313 HydrophobicContact CG1-CG2 4.27Å; V309-V313 WeakPolarHBondContact O-CB 3.28Å; V309-V313 VanDerWaalsContact O-CG2 3.3Å; V309-V313 WeakPolarHBondContact O-CG2 3.4Å; V309-V313 PolarHBondContact O-N 3.47Å |
| 310 | I | 91.8 | Very high | 86.3 | Confident | 94 Ų | 94 | 62.9 Ų | 62.9 | 48% | 0.482 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.9 | -37.8 | 178.7 | -66.6 | 166.1 | 0 | 0 | 0 | 110.5 | L290 A306 L308 A314 | L290-I310 HydrophobicContact CD1-CG2 4.11Å; L290-I310 HydrophobicContact CD2-CG2 3.93Å; L290-I310 HydrophobicContact CG-CG2 4.29Å; A306-I310 WeakPolarHBondContact O-CB 3.34Å; A306-I310 WeakPolarHBondContact O-CD1 3.28Å; A306-I310 WeakPolarHBondContact O-CG1 3.47Å; A306-I310 PolarHBondContact O-N 2.87Å; L308-I310 PolarHBondContact O-N 3.2Å; I310-A314 VanDerWaalsContact O-CB 3.22Å; I310-A314 WeakPolarHBondContact O-CB 3.19Å; I310-A314 PolarHBondContact O-N 3.47Å |
| 311 | T | 91.4 | Very high | 87.5 | Confident | 12 Ų | 12 | 57.5 Ų | 57.5 | 7% | 0.074 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.1 | -49.2 | 176.7 | -54.7 | 0 | 0 | 0 | 0 | 113 | R294 H307 L308 V309 V313 A314 R315 | R294-T311 PolarHBondContact NH2-OG1 3.3Å; H307-T311 WeakPolarHBondContact O-CB 3.33Å; H307-T311 PolarHBondContact O-N 2.88Å; H307-T311 PolarHBondContact O-OG1 2.98Å; L308-T311 WeakPolarHBondContact O-CA 3.32Å; L308-T311 VanDerWaalsContact O-CB 3.24Å; L308-T311 WeakPolarHBondContact O-CB 3.3Å; L308-T311 PolarHBondContact O-N 3.48Å; V309-T311 PolarHBondContact O-N 3.3Å; T311-V313 VanDerWaalsContact C-N 3.34Å; T311-A314 PolarHBondContact O-N 2.89Å; T311-R315 PolarHBondContact O-N 2.99Å |
| 312 | L | 93 | Very high | 89.3 | Confident | 25 Ų | 25 | 50.9 Ų | 50.9 | 13% | 0.131 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.8 | -46.5 | 179.8 | -62.6 | 178.9 | 0 | 0 | 0 | 109.9 | V44 M48 Y106 L308 V309 R315 V316 | V44-L312 HydrophobicContact CG1-CD1 3.88Å; V44-L312 HydrophobicContact CG1-CD2 4.23Å; V44-L312 HydrophobicContact CG2-CD1 4.09Å; M48-L312 HydrophobicContact CE-CB 3.46Å; M48-L312 VanDerWaalsContact CE-CB 3.46Å; M48-L312 HydrophobicContact CE-CD2 3.57Å; M48-L312 HydrophobicContact CE-CG 3.97Å; M48-L312 HydrophobicContact CG-CD2 4.27Å; M48-L312 HydrophobicContact SD-CB 4.09Å; M48-L312 HydrophobicContact SD-CD1 4.41Å; M48-L312 HydrophobicContact SD-CD2 4.3Å; M48-L312 HydrophobicContact SD-CG 4.46Å; Y106-L312 HydrophobicContact CE1-CD2 3.98Å; L308-L312 HydrophobicContact CD1-CD1 4.2Å; L308-L312 HydrophobicContact CD1-CD2 4.34Å; L308-L312 HydrophobicContact CD1-CG 4.21Å; L308-L312 HydrophobicContact CG-CD1 4.07Å; L308-L312 HydrophobicContact CG-CG 4.41Å; L308-L312 WeakPolarHBondContact O-CG 3.24Å; L308-L312 PolarHBondContact O-N 3Å; V309-L312 PolarHBondContact O-N 3.25Å; L312-R315 PolarHBondContact O-N 3.27Å; L312-V316 WeakPolarHBondContact O-CB 3.48Å; L312-V316 WeakPolarHBondContact O-CG2 3.47Å; L312-V316 PolarHBondContact O-N 3.19Å |
| 313 | V | 94.9 | Very high | 90.6 | Very high | 84 Ų | 84 | 47.9 Ų | 47.9 | 51% | 0.509 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.2 | -48.5 | 177.9 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | V309 T311 R315 V316 L317 | V309-V313 HydrophobicContact CG1-CG2 4.27Å; V309-V313 WeakPolarHBondContact O-CB 3.28Å; V309-V313 VanDerWaalsContact O-CG2 3.3Å; V309-V313 WeakPolarHBondContact O-CG2 3.4Å; V309-V313 PolarHBondContact O-N 3.47Å; T311-V313 VanDerWaalsContact C-N 3.34Å; V313-R315 PolarHBondContact O-N 3.48Å; V313-V316 PolarHBondContact O-N 3.48Å; V313-L317 WeakPolarHBondContact O-CB 3.22Å; V313-L317 PolarHBondContact O-N 3.25Å |
| 314 | A | 96.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.1 | -38.9 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | P286 L290 I310 T311 S318 | P286-A314 HydrophobicContact CB-CB 3.69Å; L290-A314 HydrophobicContact CD1-CB 3.29Å; L290-A314 HydrophobicContact CG-CB 4.29Å; I310-A314 VanDerWaalsContact O-CB 3.22Å; I310-A314 WeakPolarHBondContact O-CB 3.19Å; I310-A314 PolarHBondContact O-N 3.47Å; T311-A314 PolarHBondContact O-N 2.89Å; A314-S318 PolarHBondContact O-N 3.42Å; A314-S318 PolarHBondContact O-OG 3.25Å |
| 315 | R | 94.2 | Very high | 92.1 | Very high | 68 Ų | 68 | 40.3 Ų | 40.3 | 26% | 0.257 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -67.2 | -45.7 | 174.9 | -77.9 | -165 | -179.3 | 158.7 | 3 | 112.3 | T311 L312 V313 L317 S318 F319 | T311-R315 PolarHBondContact O-N 2.99Å; L312-R315 PolarHBondContact O-N 3.27Å; V313-R315 PolarHBondContact O-N 3.48Å; R315-L317 VanDerWaalsContact C-N 3.28Å; R315-L317 PolarHBondContact O-N 2.96Å; R315-S318 PolarHBondContact O-N 2.94Å; R315-S318 PolarHBondContact O-OG 3.43Å; R315-F319 VanDerWaalsContact O-CD2 3.26Å; R315-F319 WeakPolarHBondContact O-CD2 3.4Å; R315-F319 PolarHBondContact O-N 3.37Å |
| 316 | V | 96 | Very high | 92.5 | Very high | 30 Ų | 30 | 34.9 Ų | 34.9 | 18% | 0.182 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.5 | -42.3 | 177.2 | 165.1 | 0 | 0 | 0 | 0 | 110.5 | M48 V51 Y52 I55 L312 V313 F319 S320 | M48-V316 HydrophobicContact CE-CG2 3.46Å; M48-V316 VanDerWaalsContact CE-CG2 3.46Å; M48-V316 HydrophobicContact SD-CG2 4.17Å; V51-V316 HydrophobicContact CG1-CB 4.41Å; V51-V316 HydrophobicContact CG1-CG1 3.65Å; V51-V316 HydrophobicContact CG1-CG2 3.83Å; Y52-V316 HydrophobicContact CE2-CG2 4.13Å; I55-V316 HydrophobicContact CD1-CG1 4.29Å; L312-V316 WeakPolarHBondContact O-CB 3.48Å; L312-V316 WeakPolarHBondContact O-CG2 3.47Å; L312-V316 PolarHBondContact O-N 3.19Å; V313-V316 PolarHBondContact O-N 3.48Å; V316-F319 PolarHBondContact O-N 3.46Å; V316-S320 VanDerWaalsContact O-CB 3.28Å; V316-S320 WeakPolarHBondContact O-CB 3.44Å; V316-S320 PolarHBondContact O-N 3.49Å; V316-S320 PolarHBondContact O-OG 3.25Å |
| 317 | L | 96.4 | Very high | 92.7 | Very high | 59 Ų | 59 | 37.6 Ų | 37.6 | 31% | 0.309 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -66.8 | -40 | -178.2 | -164.5 | 73.5 | 0 | 0 | 0 | 111.9 | L282 C283 P286 V313 R315 S320 S321 | L282-L317 WeakPolarHBondContact O-CD2 3.35Å; C283-L317 HydrophobicContact CB-CG 4.38Å; C283-L317 WeakPolarHBondContact CB-O 3.48Å; C283-L317 CarbonylContact O-C 3.54Å; P286-L317 HydrophobicContact CG-CD2 3.81Å; V313-L317 WeakPolarHBondContact O-CB 3.22Å; V313-L317 PolarHBondContact O-N 3.25Å; R315-L317 VanDerWaalsContact C-N 3.28Å; R315-L317 PolarHBondContact O-N 2.96Å; L317-S320 WeakPolarHBondContact O-CB 3.31Å; L317-S320 PolarHBondContact O-N 2.91Å; L317-S321 PolarHBondContact O-N 2.98Å |
| 318 | S | 96.2 | Very high | 92.8 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.007 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.3 | -45.1 | 177 | 66 | 0 | 0 | 0 | 0 | 111.9 | C283 A314 R315 S320 S321 | C283-S318 WeakPolarHBondContact O-CA 3.38Å; C283-S318 PolarHBondContact O-N 2.98Å; A314-S318 PolarHBondContact O-N 3.42Å; A314-S318 PolarHBondContact O-OG 3.25Å; R315-S318 PolarHBondContact O-N 2.94Å; R315-S318 PolarHBondContact O-OG 3.43Å; S318-S320 VanDerWaalsContact C-N 3.32Å; S318-S320 PolarHBondContact O-N 2.93Å; S318-S321 VanDerWaalsContact O-CB 3.24Å; S318-S321 WeakPolarHBondContact O-CB 3.14Å; S318-S321 PolarHBondContact O-N 3.28Å; S318-S321 PolarHBondContact O-OG 2.97Å |
| 319 | F | 95.6 | Very high | 92.9 | Very high | 3 Ų | 3 | 33.1 Ų | 33.1 | 1% | 0.013 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69.7 | -28.4 | 175.3 | -65.3 | -48.3 | 0 | 0 | 0 | 113.4 | Y52 I55 L94 C98 V99 D102 R315 V316 S321 S322 | Y52-F319 AromaticContact CE1-CD2 3.75Å; Y52-F319 HydrophobicContact CE1-CD2 3.75Å; Y52-F319 AromaticContact CE1-CE2 3.76Å; Y52-F319 HydrophobicContact CE1-CE2 3.76Å; Y52-F319 AromaticContact CZ-CD2 3.87Å; Y52-F319 AromaticContact CZ-CE2 3.98Å; Y52-F319 WeakPolarHBondContact OH-CE2 3.39Å; I55-F319 HydrophobicContact CD1-CB 4.24Å; I55-F319 HydrophobicContact CG2-CB 4.24Å; L94-F319 HydrophobicContact CD2-CD1 3.98Å; L94-F319 HydrophobicContact CG-CD1 4.42Å; C98-F319 HydrophobicContact CB-CE1 4.42Å; V99-F319 HydrophobicContact CG2-CB 4.18Å; V99-F319 HydrophobicContact CG2-CD1 3.58Å; V99-F319 HydrophobicContact CG2-CE1 4.03Å; V99-F319 HydrophobicContact CG2-CG 3.87Å; D102-F319 HydrophobicContact CB-CE2 3.88Å; D102-F319 HydrophobicContact CB-CZ 3.85Å; D102-F319 WeakPolarHBondContact OD2-CE2 3.37Å; R315-F319 VanDerWaalsContact O-CD2 3.26Å; R315-F319 WeakPolarHBondContact O-CD2 3.4Å; R315-F319 PolarHBondContact O-N 3.37Å; V316-F319 PolarHBondContact O-N 3.46Å; F319-S321 PolarHBondContact O-N 3.07Å; F319-S322 PolarHBondContact O-N 3.38Å |
| 320 | S | 95.4 | Very high | 92.8 | Very high | 27 Ų | 27 | 33.1 Ų | 33.1 | 19% | 0.189 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.8 | -22.2 | 173.9 | -63.5 | 0 | 0 | 0 | 0 | 112.6 | V316 L317 S318 S322 C323 V324 | V316-S320 VanDerWaalsContact O-CB 3.28Å; V316-S320 WeakPolarHBondContact O-CB 3.44Å; V316-S320 PolarHBondContact O-N 3.49Å; V316-S320 PolarHBondContact O-OG 3.25Å; L317-S320 WeakPolarHBondContact O-CB 3.31Å; L317-S320 PolarHBondContact O-N 2.91Å; S318-S320 VanDerWaalsContact C-N 3.32Å; S318-S320 PolarHBondContact O-N 2.93Å; S320-S322 PolarHBondContact O-N 3.48Å; S320-S322 VanDerWaalsContact O-N 3.14Å; S320-C323 WeakPolarHBondContact O-CB 3.45Å; S320-C323 PolarHBondContact O-N 2.95Å; S320-V324 WeakPolarHBondContact O-CG2 3.14Å; S320-V324 PolarHBondContact O-N 2.93Å; S320-V324 VanDerWaalsContact O-N 3.12Å |
| 321 | S | 94.2 | Very high | 92.7 | Very high | 9 Ų | 9 | 34.6 Ų | 34.6 | 6% | 0.063 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -53 | -36.2 | 176.3 | 69 | 0 | 0 | 0 | 0 | 112.8 | W284 L317 S318 F319 C323 V324 | W284-S321 PolarHBondContact NE1-OG 3.03Å; L317-S321 PolarHBondContact O-N 2.98Å; S318-S321 VanDerWaalsContact O-CB 3.24Å; S318-S321 WeakPolarHBondContact O-CB 3.14Å; S318-S321 PolarHBondContact O-N 3.28Å; S318-S321 PolarHBondContact O-OG 2.97Å; F319-S321 PolarHBondContact O-N 3.07Å; S321-C323 VanDerWaalsContact C-N 3.33Å; S321-C323 PolarHBondContact O-N 2.81Å; S321-V324 PolarHBondContact O-N 3.35Å |
| 322 | S | 93.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -70.9 | -25.1 | 177.4 | -62.2 | 0 | 0 | 0 | 0 | 114 | N63 D91 L94 F319 S320 | N63-S322 PolarHBondContact ND2-O 2.6Å; D91-S322 VanDerWaalsContact OD1-CA 3.3Å; D91-S322 WeakPolarHBondContact OD1-CA 3.05Å; D91-S322 VanDerWaalsContact OD1-CB 3.28Å; D91-S322 WeakPolarHBondContact OD1-CB 3.15Å; D91-S322 PolarHBondContact OD1-OG 3.01Å; L94-S322 WeakPolarHBondContact CD2-OG 3.28Å; F319-S322 PolarHBondContact O-N 3.38Å; S320-S322 PolarHBondContact O-N 3.48Å; S320-S322 VanDerWaalsContact O-N 3.14Å |
| 323 | C | 93.3 | Very high | 92 | Very high | 13 Ų | 13 | 36 Ų | 36 | 9% | 0.088 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -80.7 | -36.4 | 175.6 | -62.5 | 0 | 0 | 0 | 0 | 111.5 | I55 V58 S320 S321 N325 P326 F327 | I55-C323 PolarHBondContact O-SG 3.49Å; V58-C323 HydrophobicContact CG1-CB 4.38Å; S320-C323 WeakPolarHBondContact O-CB 3.45Å; S320-C323 PolarHBondContact O-N 2.95Å; S321-C323 VanDerWaalsContact C-N 3.33Å; S321-C323 PolarHBondContact O-N 2.81Å; C323-N325 VanDerWaalsContact C-N 3.3Å; C323-N325 PolarHBondContact O-N 2.8Å; C323-P326 WeakPolarHBondContact O-CD 3.37Å; C323-F327 WeakPolarHBondContact O-CD2 3.33Å |
| 324 | V | 91.4 | Very high | 91.4 | Very high | 39 Ų | 39 | 35.3 Ų | 35.3 | 24% | 0.236 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.9 | -31.2 | -172.5 | 174.5 | 0 | 0 | 0 | 0 | 112 | L279 S320 S321 F327 A328 | L279-V324 HydrophobicContact CB-CG1 4.12Å; L279-V324 HydrophobicContact CD1-CG1 3.61Å; L279-V324 HydrophobicContact CD2-CG1 3.84Å; L279-V324 HydrophobicContact CG-CG1 4.03Å; S320-V324 WeakPolarHBondContact O-CG2 3.14Å; S320-V324 PolarHBondContact O-N 2.93Å; S320-V324 VanDerWaalsContact O-N 3.12Å; S321-V324 PolarHBondContact O-N 3.35Å; V324-F327 PolarHBondContact O-N 2.97Å; V324-A328 WeakPolarHBondContact O-CB 3.31Å; V324-A328 PolarHBondContact O-N 3.49Å |
| 325 | N | 88.8 | Confident | 90.6 | Very high | 22 Ų | 22 | 37.8 Ų | 37.8 | 12% | 0.118 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -56.6 | -55.4 | -177.1 | -73.5 | -19 | 0 | 0 | 0 | 113.3 | D91 C323 F327 A328 L329 | D91-N325 PolarHBondContact OD2-ND2 3Å; C323-N325 VanDerWaalsContact C-N 3.3Å; C323-N325 PolarHBondContact O-N 2.8Å; N325-F327 VanDerWaalsContact C-N 3.35Å; N325-F327 PolarHBondContact O-N 3.14Å; N325-A328 PolarHBondContact O-N 2.8Å; N325-L329 WeakPolarHBondContact O-CG 3.31Å; N325-L329 PolarHBondContact O-N 3.42Å |
| 326 | P | 89.6 | Confident | 90.1 | Very high | 7 Ų | 7 | 35 Ų | 35 | 5% | 0.045 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -55.6 | -41 | 171.7 | -28.5 | 33.2 | 0 | 0 | 0 | 114.8 | G62 C323 L329 Y330 | G62-P326 VanDerWaalsContact C-CG 3.43Å; C323-P326 WeakPolarHBondContact O-CD 3.37Å; P326-L329 PolarHBondContact O-N 2.6Å; P326-Y330 WeakPolarHBondContact O-CB 3.44Å; P326-Y330 PolarHBondContact O-N 2.64Å |
| 327 | F | 89.8 | Confident | 89.7 | Confident | 116 Ų | 116 | 38.2 Ų | 38.2 | 51% | 0.509 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -65.4 | -45.7 | 178.7 | -72.9 | -69.2 | 0 | 0 | 0 | 112 | V58 C323 V324 N325 L329 Y330 L331 | V58-F327 HydrophobicContact CG1-CE2 3.35Å; V58-F327 HydrophobicContact CG1-CZ 3.48Å; V58-F327 VanDerWaalsContact CG1-CZ 3.48Å; C323-F327 WeakPolarHBondContact O-CD2 3.33Å; V324-F327 PolarHBondContact O-N 2.97Å; N325-F327 VanDerWaalsContact C-N 3.35Å; N325-F327 PolarHBondContact O-N 3.14Å; F327-L329 VanDerWaalsContact C-N 3.29Å; F327-L329 PolarHBondContact O-N 3.19Å; F327-Y330 WeakPolarHBondContact O-CB 3.33Å; F327-Y330 PolarHBondContact O-N 3.2Å; F327-L331 WeakPolarHBondContact O-CG 3.44Å; F327-L331 PolarHBondContact O-N 3.37Å |
| 328 | A | 89.8 | Confident | 89.2 | Confident | 8 Ų | 8 | 43.1 Ų | 43.1 | 7% | 0.066 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.6 | -40.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | F276 L279 V324 N325 L331 L332 | F276-A328 HydrophobicContact CD1-CB 4.1Å; F276-A328 HydrophobicContact CE1-CB 3.6Å; L279-A328 HydrophobicContact CD1-CB 3.84Å; V324-A328 WeakPolarHBondContact O-CB 3.31Å; V324-A328 PolarHBondContact O-N 3.49Å; N325-A328 PolarHBondContact O-N 2.8Å; A328-L331 PolarHBondContact O-N 3.26Å; A328-L332 HydrophobicContact CB-CD1 4.31Å; A328-L332 WeakPolarHBondContact O-CB 3.39Å; A328-L332 WeakPolarHBondContact O-CD1 3.43Å; A328-L332 WeakPolarHBondContact O-CG 3.27Å; A328-L332 PolarHBondContact O-N 3.43Å |
| 329 | L | 88.4 | Confident | 88.7 | Confident | 7 Ų | 7 | 46 Ų | 46 | 4% | 0.037 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.4 | -42.4 | 173.3 | -72 | 168.8 | 0 | 0 | 0 | 113 | L66 I84 F276 N325 P326 F327 L331 L332 S333 F336 | L66-L329 HydrophobicContact CD1-CD1 3.33Å; L66-L329 HydrophobicContact CG-CD1 4.13Å; I84-L329 HydrophobicContact CD1-CD2 3.93Å; I84-L329 HydrophobicContact CG1-CD2 4.5Å; I84-L329 HydrophobicContact CG2-CD1 3.45Å; I84-L329 VanDerWaalsContact CG2-CD1 3.45Å; I84-L329 HydrophobicContact CG2-CD2 4.26Å; I84-L329 HydrophobicContact CG2-CG 4.47Å; F276-L329 HydrophobicContact CE1-CG 4.39Å; F276-L329 HydrophobicContact CE2-CD2 4.12Å; F276-L329 HydrophobicContact CZ-CD1 4.44Å; F276-L329 HydrophobicContact CZ-CD2 3.55Å; F276-L329 HydrophobicContact CZ-CG 3.68Å; N325-L329 WeakPolarHBondContact O-CG 3.31Å; N325-L329 PolarHBondContact O-N 3.42Å; P326-L329 PolarHBondContact O-N 2.6Å; F327-L329 VanDerWaalsContact C-N 3.29Å; F327-L329 PolarHBondContact O-N 3.19Å; L329-L331 VanDerWaalsContact C-N 3.27Å; L329-L331 PolarHBondContact O-N 3.23Å; L329-L332 PolarHBondContact O-N 3.04Å; L329-S333 WeakPolarHBondContact O-CA 3.26Å; L329-S333 VanDerWaalsContact O-CB 3.24Å; L329-S333 WeakPolarHBondContact O-CB 3.2Å; L329-S333 PolarHBondContact O-N 3.23Å; L329-F336 HydrophobicContact CB-CD1 3.66Å; L329-F336 HydrophobicContact CB-CE1 3.88Å; L329-F336 HydrophobicContact CB-CG 4.05Å; L329-F336 HydrophobicContact CB-CZ 4.46Å |
| 330 | Y | 89.2 | Confident | 88.2 | Confident | 71 Ų | 71 | 47.8 Ų | 47.8 | 28% | 0.278 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60 | -39.2 | 177.9 | -177.8 | -92.6 | 0 | 0 | 0 | 112 | P326 F327 R337 F340 N341 | P326-Y330 WeakPolarHBondContact O-CB 3.44Å; P326-Y330 PolarHBondContact O-N 2.64Å; F327-Y330 WeakPolarHBondContact O-CB 3.33Å; F327-Y330 PolarHBondContact O-N 3.2Å; Y330-R337 HydrophobicContact CD2-CB 4.31Å; Y330-R337 HydrophobicContact CD2-CG 4.02Å; Y330-R337 HydrophobicContact CE1-CG 4.45Å; Y330-R337 HydrophobicContact CE2-CB 4.37Å; Y330-R337 HydrophobicContact CE2-CG 3.63Å; Y330-F340 HydrophobicContact CD2-CB 4.18Å; Y330-F340 AromaticContact CD2-CD1 3.81Å; Y330-F340 HydrophobicContact CD2-CD1 3.81Å; Y330-F340 AromaticContact CD2-CD2 4Å; Y330-F340 HydrophobicContact CD2-CD2 4Å; Y330-F340 HydrophobicContact CD2-CE1 4.22Å; Y330-F340 AromaticContact CD2-CG 3.76Å; Y330-F340 HydrophobicContact CD2-CG 3.76Å; Y330-F340 HydrophobicContact CE2-CB 4.38Å; Y330-F340 AromaticContact CE2-CD1 3.64Å; Y330-F340 HydrophobicContact CE2-CD1 3.64Å; Y330-F340 HydrophobicContact CE2-CE1 4.1Å; Y330-F340 HydrophobicContact CE2-CG 4.01Å; Y330-N341 PolarHBondContact OH-OD1 3.01Å |
| 331 | L | 88.3 | Confident | 87.8 | Confident | 126 Ų | 126 | 48.2 Ų | 48.2 | 66% | 0.66 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -78.1 | -38.5 | 179.5 | -65 | 175.9 | 0 | 0 | 0 | 113 | F327 A328 L329 | F327-L331 WeakPolarHBondContact O-CG 3.44Å; F327-L331 PolarHBondContact O-N 3.37Å; A328-L331 PolarHBondContact O-N 3.26Å; L329-L331 VanDerWaalsContact C-N 3.27Å; L329-L331 PolarHBondContact O-N 3.23Å |
| 332 | L | 85.1 | Confident | 87.3 | Confident | 47 Ų | 47 | 51 Ų | 51 | 25% | 0.246 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -96.7 | -30 | -169.2 | -58.9 | 170.1 | 0 | 0 | 0 | 113.8 | R268 I272 V275 A328 L329 | R268-L332 PolarHBondContact NH2-O 3.33Å; I272-L332 HydrophobicContact CD1-CB 4.09Å; I272-L332 HydrophobicContact CG1-CB 3.89Å; I272-L332 HydrophobicContact CG1-CD1 4.44Å; I272-L332 HydrophobicContact CG2-CB 4.48Å; I272-L332 HydrophobicContact CG2-CD1 4.19Å; V275-L332 HydrophobicContact CB-CD1 3.88Å; V275-L332 HydrophobicContact CG1-CD1 3.75Å; V275-L332 HydrophobicContact CG2-CD1 4.26Å; A328-L332 HydrophobicContact CB-CD1 4.31Å; A328-L332 WeakPolarHBondContact O-CB 3.39Å; A328-L332 WeakPolarHBondContact O-CD1 3.43Å; A328-L332 WeakPolarHBondContact O-CG 3.27Å; A328-L332 PolarHBondContact O-N 3.43Å; L329-L332 PolarHBondContact O-N 3.04Å |
| 333 | S | 84.7 | Confident | 86.7 | Confident | 18 Ų | 18 | 53.9 Ų | 53.9 | 13% | 0.126 | 26% | 0.263 | C | S | . | . | trans | -105.9 | 107.7 | -176.6 | -178.3 | 0 | 0 | 0 | 0 | 111.3 | L329 S335 F336 R337 | L329-S333 WeakPolarHBondContact O-CA 3.26Å; L329-S333 VanDerWaalsContact O-CB 3.24Å; L329-S333 WeakPolarHBondContact O-CB 3.2Å; L329-S333 PolarHBondContact O-N 3.23Å; S333-S335 VanDerWaalsContact C-N 3.34Å; S333-S335 PolarHBondContact O-N 3.32Å; S333-S335 PolarHBondContact OG-OG 3.03Å; S333-F336 PolarHBondContact O-N 3.04Å; S333-F336 WeakPolarHBondContact OG-CB 3.43Å; S333-F336 PolarHBondContact OG-N 3.39Å; S333-R337 WeakPolarHBondContact O-CB 3.48Å; S333-R337 PolarHBondContact O-N 2.97Å | ||
| 334 | E | 83.3 | Confident | 86.1 | Confident | 71 Ų | 71 | 58.9 Ų | 58.9 | 33% | 0.332 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67.6 | -36.3 | 179.8 | -172.5 | 179.1 | -180 | 0 | 0 | 112.2 | R337 R338 | E334-R337 PolarHBondContact O-N 3.47Å; E334-R338 VanDerWaalsContact O-CG 3.3Å; E334-R338 WeakPolarHBondContact O-CG 3.47Å; E334-R338 PolarHBondContact O-N 3.41Å; E334-R338 IonicContact OE1-CZ 3.47Å; E334-R338 IonicContact OE1-NE 3.49Å; E334-R338 PolarHBondContact OE1-NE 3.18Å; E334-R338 IonicContact OE1-NH2 2.69Å; E334-R338 PolarHBondContact OE1-NH2 3.4Å |
| 335 | S | 80.1 | Confident | 85.4 | Confident | 52 Ų | 52 | 65.2 Ų | 65.2 | 36% | 0.364 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.4 | -45.2 | 175.5 | 57.3 | 0 | 0 | 0 | 0 | 110.8 | S333 R338 H339 | S333-S335 VanDerWaalsContact C-N 3.34Å; S333-S335 PolarHBondContact O-N 3.32Å; S333-S335 PolarHBondContact OG-OG 3.03Å; S335-R338 PolarHBondContact O-N 3.02Å; S335-H339 PolarHBondContact O-N 3.35Å; S335-H339 PolarHBondContact O-ND1 3.35Å |
| 336 | F | 82.4 | Confident | 83.9 | Confident | 10 Ų | 10 | 69.6 Ų | 69.6 | 4% | 0.044 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.2 | -49.4 | 176.3 | -176.9 | -101.2 | 0 | 0 | 0 | 111.3 | M65 L66 I69 L329 S333 R338 H339 F340 | M65-F336 HydrophobicContact CE-CZ 4.11Å; L66-F336 HydrophobicContact CB-CE2 4.02Å; L66-F336 HydrophobicContact CB-CZ 4.12Å; L66-F336 HydrophobicContact CG-CE2 3.94Å; L66-F336 HydrophobicContact CG-CZ 4.31Å; I69-F336 HydrophobicContact CD1-CD2 4.34Å; I69-F336 HydrophobicContact CD1-CE2 3.93Å; I69-F336 HydrophobicContact CD1-CZ 4.39Å; L329-F336 HydrophobicContact CB-CD1 3.66Å; L329-F336 HydrophobicContact CB-CE1 3.88Å; L329-F336 HydrophobicContact CB-CG 4.05Å; L329-F336 HydrophobicContact CB-CZ 4.46Å; S333-F336 PolarHBondContact O-N 3.04Å; S333-F336 WeakPolarHBondContact OG-CB 3.43Å; S333-F336 PolarHBondContact OG-N 3.39Å; F336-R338 VanDerWaalsContact C-N 3.3Å; F336-R338 PolarHBondContact O-N 3.23Å; F336-H339 PolarHBondContact O-N 2.92Å; F336-H339 VanDerWaalsContact O-N 3.12Å; F336-F340 HydrophobicContact CE1-CB 4.49Å; F336-F340 AromaticContact CE1-CD2 3.71Å; F336-F340 HydrophobicContact CE1-CD2 3.71Å; F336-F340 HydrophobicContact CZ-CD2 4.05Å; F336-F340 WeakPolarHBondContact O-CB 3.46Å; F336-F340 PolarHBondContact O-N 3.44Å |
| 337 | R | 88.1 | Confident | 82.3 | Confident | 97 Ų | 97 | 73 Ų | 73 | 37% | 0.366 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -55.6 | -41 | 178 | -176.7 | 171 | 67.4 | -173 | 2.2 | 113.2 | Y330 S333 E334 N341 | Y330-R337 HydrophobicContact CD2-CB 4.31Å; Y330-R337 HydrophobicContact CD2-CG 4.02Å; Y330-R337 HydrophobicContact CE1-CG 4.45Å; Y330-R337 HydrophobicContact CE2-CB 4.37Å; Y330-R337 HydrophobicContact CE2-CG 3.63Å; S333-R337 WeakPolarHBondContact O-CB 3.48Å; S333-R337 PolarHBondContact O-N 2.97Å; E334-R337 PolarHBondContact O-N 3.47Å; R337-N341 WeakPolarHBondContact O-CB 3.41Å; R337-N341 VanDerWaalsContact O-CG 3.23Å; R337-N341 PolarHBondContact O-N 3.1Å; R337-N341 PolarHBondContact O-ND2 3.06Å |
| 338 | R | 85.7 | Confident | 80.4 | Confident | 161 Ų | 161 | 78.8 Ų | 78.8 | 61% | 0.608 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -63.1 | -45.5 | 176.9 | -73.2 | 176 | -170.7 | -169.9 | 3.7 | 111.7 | E334 S335 F336 S342 | E334-R338 VanDerWaalsContact O-CG 3.3Å; E334-R338 WeakPolarHBondContact O-CG 3.47Å; E334-R338 PolarHBondContact O-N 3.41Å; E334-R338 IonicContact OE1-CZ 3.47Å; E334-R338 IonicContact OE1-NE 3.49Å; E334-R338 PolarHBondContact OE1-NE 3.18Å; E334-R338 IonicContact OE1-NH2 2.69Å; E334-R338 PolarHBondContact OE1-NH2 3.4Å; S335-R338 PolarHBondContact O-N 3.02Å; F336-R338 VanDerWaalsContact C-N 3.3Å; F336-R338 PolarHBondContact O-N 3.23Å; R338-S342 WeakPolarHBondContact O-CB 3.38Å; R338-S342 PolarHBondContact O-N 2.96Å |
| 339 | H | 85.3 | Confident | 78.4 | Confident | 61 Ų | 61 | 81.5 Ų | 81.5 | 28% | 0.282 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -69.3 | -40.7 | 178.1 | -66.5 | 96 | 0 | 0 | 0 | 112.4 | I69 N73 S335 F336 N341 S342 Q343 | I69-H339 HydrophobicContact CD1-CB 3.99Å; I69-H339 HydrophobicContact CG1-CB 4.19Å; I69-H339 HydrophobicContact CG2-CB 3.77Å; N73-H339 PolarHBondContact ND2-CD2 3.37Å; N73-H339 PolarHBondContact ND2-CE1 3.46Å; N73-H339 PolarHBondContact ND2-NE2 3.21Å; S335-H339 PolarHBondContact O-N 3.35Å; S335-H339 PolarHBondContact O-ND1 3.35Å; F336-H339 PolarHBondContact O-N 2.92Å; F336-H339 VanDerWaalsContact O-N 3.12Å; H339-N341 PolarHBondContact O-N 2.6Å; H339-S342 WeakPolarHBondContact O-CB 3.45Å; H339-S342 PolarHBondContact O-N 2.79Å; H339-Q343 WeakPolarHBondContact O-CG 3.25Å; H339-Q343 PolarHBondContact O-N 3.14Å |
| 340 | F | 85.6 | Confident | 76.5 | Confident | 41 Ų | 41 | 86.6 Ų | 86.6 | 18% | 0.18 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -53.9 | -53.3 | 172.6 | -171.5 | -71.4 | 0 | 0 | 0 | 110.5 | M65 I69 Y330 F336 S342 Q343 L344 | M65-F340 HydrophobicContact CE-CB 3.92Å; M65-F340 HydrophobicContact CE-CD1 4.43Å; M65-F340 HydrophobicContact CE-CD2 2.82Å; M65-F340 HydrophobicContact CE-CE2 3.15Å; M65-F340 HydrophobicContact CE-CG 3.47Å; M65-F340 VanDerWaalsContact CE-CG 3.47Å; M65-F340 HydrophobicContact CE-CZ 4.13Å; M65-F340 HydrophobicContact SD-CD1 4.4Å; M65-F340 HydrophobicContact SD-CD2 3.67Å; M65-F340 HydrophobicContact SD-CE1 4.47Å; M65-F340 HydrophobicContact SD-CE2 3.62Å; M65-F340 HydrophobicContact SD-CG 3.96Å; M65-F340 HydrophobicContact SD-CZ 4.03Å; I69-F340 HydrophobicContact CD1-CB 4.33Å; Y330-F340 HydrophobicContact CD2-CB 4.18Å; Y330-F340 AromaticContact CD2-CD1 3.81Å; Y330-F340 HydrophobicContact CD2-CD1 3.81Å; Y330-F340 AromaticContact CD2-CD2 4Å; Y330-F340 HydrophobicContact CD2-CD2 4Å; Y330-F340 HydrophobicContact CD2-CE1 4.22Å; Y330-F340 AromaticContact CD2-CG 3.76Å; Y330-F340 HydrophobicContact CD2-CG 3.76Å; Y330-F340 HydrophobicContact CE2-CB 4.38Å; Y330-F340 AromaticContact CE2-CD1 3.64Å; Y330-F340 HydrophobicContact CE2-CD1 3.64Å; Y330-F340 HydrophobicContact CE2-CE1 4.1Å; Y330-F340 HydrophobicContact CE2-CG 4.01Å; F336-F340 HydrophobicContact CE1-CB 4.49Å; F336-F340 AromaticContact CE1-CD2 3.71Å; F336-F340 HydrophobicContact CE1-CD2 3.71Å; F336-F340 HydrophobicContact CZ-CD2 4.05Å; F336-F340 WeakPolarHBondContact O-CB 3.46Å; F336-F340 PolarHBondContact O-N 3.44Å; F340-S342 VanDerWaalsContact C-N 3.32Å; F340-S342 PolarHBondContact O-N 3.33Å; F340-Q343 PolarHBondContact O-N 3.48Å; F340-L344 HydrophobicContact CD1-CD1 3.71Å; F340-L344 HydrophobicContact CD1-CG 4.09Å; F340-L344 HydrophobicContact CE1-CD1 3.3Å; F340-L344 HydrophobicContact CE1-CG 3.92Å; F340-L344 HydrophobicContact CZ-CD1 4.32Å; F340-L344 PolarHBondContact O-N 3.44Å |
| 341 | N | 86.6 | Confident | 74.5 | Confident | 37 Ų | 37 | 94.3 Ų | 94.3 | 20% | 0.198 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -65.4 | -33.3 | 179.8 | -72.8 | -16.9 | 0 | 0 | 0 | 113.1 | Y330 R337 H339 L344 R345 | Y330-N341 PolarHBondContact OH-OD1 3.01Å; R337-N341 WeakPolarHBondContact O-CB 3.41Å; R337-N341 VanDerWaalsContact O-CG 3.23Å; R337-N341 PolarHBondContact O-N 3.1Å; R337-N341 PolarHBondContact O-ND2 3.06Å; H339-N341 PolarHBondContact O-N 2.6Å; N341-L344 PolarHBondContact O-N 3.03Å; N341-R345 WeakPolarHBondContact O-CB 3.33Å; N341-R345 WeakPolarHBondContact O-CD 3.33Å; N341-R345 WeakPolarHBondContact O-CG 3.43Å; N341-R345 PolarHBondContact O-N 3.21Å; N341-R345 VanDerWaalsContact O-N 3.11Å |
| 342 | S | 84.7 | Confident | 72.4 | Confident | 67 Ų | 67 | 94.2 Ų | 94.2 | 47% | 0.469 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.4 | -43.2 | 174.5 | -175 | 0 | 0 | 0 | 0 | 111.6 | R338 H339 F340 L344 R345 | R338-S342 WeakPolarHBondContact O-CB 3.38Å; R338-S342 PolarHBondContact O-N 2.96Å; H339-S342 WeakPolarHBondContact O-CB 3.45Å; H339-S342 PolarHBondContact O-N 2.79Å; F340-S342 VanDerWaalsContact C-N 3.32Å; F340-S342 PolarHBondContact O-N 3.33Å; S342-L344 VanDerWaalsContact C-N 3.34Å; S342-L344 PolarHBondContact O-N 2.92Å; S342-R345 PolarHBondContact O-N 3.22Å |
| 343 | Q | 81.6 | Confident | 70.5 | Confident | 60 Ų | 60 | 100.8 Ų | 100.8 | 28% | 0.28 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.8 | -29.7 | 177.6 | -66.8 | -72.3 | -39.2 | 0 | 0 | 112.9 | I69 H339 F340 C346 | I69-Q343 HydrophobicContact CG1-CG 4.4Å; H339-Q343 WeakPolarHBondContact O-CG 3.25Å; H339-Q343 PolarHBondContact O-N 3.14Å; F340-Q343 PolarHBondContact O-N 3.48Å; Q343-C346 PolarHBondContact O-SG 2.84Å |
| 344 | L | 79.8 | Confident | 68.5 | Low | 118 Ų | 118 | 111.1 Ų | 111.1 | 62% | 0.618 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -76.5 | -25.2 | 173.3 | -72.1 | -173.9 | 0 | 0 | 0 | 113.7 | F340 N341 S342 C346 | F340-L344 HydrophobicContact CD1-CD1 3.71Å; F340-L344 HydrophobicContact CD1-CG 4.09Å; F340-L344 HydrophobicContact CE1-CD1 3.3Å; F340-L344 HydrophobicContact CE1-CG 3.92Å; F340-L344 HydrophobicContact CZ-CD1 4.32Å; F340-L344 PolarHBondContact O-N 3.44Å; N341-L344 PolarHBondContact O-N 3.03Å; S342-L344 VanDerWaalsContact C-N 3.34Å; S342-L344 PolarHBondContact O-N 2.92Å; L344-C346 VanDerWaalsContact C-N 3.28Å; L344-C346 PolarHBondContact O-N 3.18Å |
| 345 | R | 75.8 | Confident | 66.2 | Low | 173 Ų | 173 | 115.9 Ų | 115.9 | 65% | 0.653 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | 30.3 | -176.9 | -69.8 | 175.2 | -164.1 | -172.3 | 4.3 | 113.3 | N341 S342 G347 R348 | N341-R345 WeakPolarHBondContact O-CB 3.33Å; N341-R345 WeakPolarHBondContact O-CD 3.33Å; N341-R345 WeakPolarHBondContact O-CG 3.43Å; N341-R345 PolarHBondContact O-N 3.21Å; N341-R345 VanDerWaalsContact O-N 3.11Å; S342-R345 PolarHBondContact O-N 3.22Å; R345-G347 PolarHBondContact O-N 3.45Å; R345-R348 PolarHBondContact O-N 2.85Å |
| 346 | C | 58.9 | Low | 64.1 | Low | 114 Ų | 114 | 118.6 Ų | 118.6 | 77% | 0.77 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46.7 | 100.4 | 175.6 | -76.4 | 0 | 0 | 0 | 0 | 111.1 | Q343 L344 | Q343-C346 PolarHBondContact O-SG 2.84Å; L344-C346 VanDerWaalsContact C-N 3.28Å; L344-C346 PolarHBondContact O-N 3.18Å |
| 347 | G | 54.7 | Low | 61.7 | Low | 78 Ų | 78 | 123.4 Ų | 123.4 | 80% | 0.804 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 147.9 | -21.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | R345 | R345-G347 PolarHBondContact O-N 3.45Š|
| 348 | R | 51.2 | Low | 59.2 | Low | 237 Ų | 237 | 129.4 Ų | 129.4 | 89% | 0.894 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -118.9 | 101.2 | 169.6 | -77.7 | -179.7 | 174.5 | 159.8 | -1.3 | 108.9 | R345 | R345-R348 PolarHBondContact O-N 2.85Š|
| 349 | G | 46.9 | Very low | 56.7 | Low | 66 Ų | 66 | 130.3 Ų | 130.3 | 68% | 0.68 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 152.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R351 | G349-R351 PolarHBondContact O-N 3.24Š|
| 350 | P | 48.1 | Very low | 54.4 | Low | 113 Ų | 113 | 135 Ų | 135 | 73% | 0.734 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 124.4 | 174.9 | -12.9 | 25.7 | 0 | 0 | 0 | 108.7 | P352 | P350-P352 WeakPolarHBondContact O-CD 3.29Š|
| 351 | R | 48.7 | Very low | 51.9 | Low | 234 Ų | 234 | 137.6 Ų | 137.6 | 88% | 0.883 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 121.6 | 159.8 | -141 | 176.2 | -169.7 | 168.9 | 2.3 | 105.1 | G349 E353 | G349-R351 PolarHBondContact O-N 3.24Å; R351-E353 VanDerWaalsContact C-N 3.33Å; R351-E353 PolarHBondContact O-N 3.44Å |
| 352 | P | 43 | Very low | 49.4 | Very low | 123 Ų | 123 | 140.2 Ų | 140.2 | 80% | 0.799 | 73% | 0.731 | S | S | * | * | trans | -64.8 | 101.3 | 175.1 | 24 | -29.2 | 0 | 0 | 0 | 107.3 | P350 R354 | P350-P352 WeakPolarHBondContact O-CD 3.29Å; P352-R354 PolarHBondContact O-N 3.2Å; P352-R354 VanDerWaalsContact O-N 3.13Å | ||
| 353 | E | 45.7 | Very low | 47.1 | Very low | 186 Ų | 186 | 141.4 Ų | 141.4 | 87% | 0.869 | 74% | 0.74 | S | S | * | * | trans | -72.8 | 105.5 | 169.9 | -165.9 | 160.1 | -175.3 | 0 | 0 | 106.1 | R351 Q355 | R351-E353 VanDerWaalsContact C-N 3.33Å; R351-E353 PolarHBondContact O-N 3.44Å; E353-Q355 PolarHBondContact O-N 2.94Å | ||
| 354 | R | 42.3 | Very low | 44.9 | Very low | 234 Ų | 234 | 146.4 Ų | 146.4 | 88% | 0.883 | 76% | 0.762 | S | S | * | * | trans | -50.4 | 113 | 167.4 | -87.9 | 178.3 | 171.8 | 167.4 | -3 | 106.9 | P352 | P352-R354 PolarHBondContact O-N 3.2Å; P352-R354 VanDerWaalsContact O-N 3.13Å | ||
| 355 | Q | 35.9 | Very low | 43 | Very low | 171 Ų | 171 | 147.7 Ų | 147.7 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | trans | -52.4 | 134.7 | 157.7 | -76.1 | -178.9 | -22.5 | 0 | 0 | 107 | E353 S357 | E353-Q355 PolarHBondContact O-N 2.94Å; Q355-S357 PolarHBondContact O-N 3.28Å | ||
| 356 | P | 34.2 | Very low | 41 | Very low | 110 Ų | 110 | 147.2 Ų | 147.2 | 71% | 0.714 | 77% | 0.773 | S | S | * | * | trans | -58.4 | 111.7 | 165.6 | 23.8 | -29 | 0 | 0 | 0 | 106 | Y358 | P356-Y358 PolarHBondContact O-N 3.06Š| ||
| 357 | S | 33.4 | Very low | 39.9 | Very low | 111 Ų | 111 | 149 Ų | 149 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | -51.8 | 108.5 | 166.3 | -34.6 | 0 | 0 | 0 | 0 | 105.2 | Q355 M359 | Q355-S357 PolarHBondContact O-N 3.28Å; S357-M359 PolarHBondContact O-N 3.02Å | ||
| 358 | Y | 35.9 | Very low | 39 | Very low | 223 Ų | 223 | 150.7 Ų | 150.7 | 88% | 0.875 | 77% | 0.769 | S | S | * | * | trans | -58 | 104 | 157.9 | -81.1 | -89.4 | 0 | 0 | 0 | 104.1 | P356 H360 | P356-Y358 PolarHBondContact O-N 3.06Å; Y358-H360 VanDerWaalsContact C-N 3.31Å; Y358-H360 PolarHBondContact O-N 3.16Å | ||
| 359 | M | 33.4 | Very low | 38.2 | Very low | 179 Ų | 179 | 144.6 Ų | 144.6 | 88% | 0.882 | 76% | 0.763 | S | S | * | * | trans | -52.3 | 109.9 | 163.4 | -102.7 | -164.4 | 118.3 | 0 | 0 | 104.7 | S357 S361 | S357-M359 PolarHBondContact O-N 3.02Å; M359-S361 PolarHBondContact O-N 3.46Å | ||
| 360 | H | 35.1 | Very low | 37.8 | Very low | 161 Ų | 161 | 149 Ų | 149 | 75% | 0.745 | 77% | 0.77 | S | S | * | * | trans | -62.6 | 92.1 | 162.6 | -150.3 | -72.5 | 0 | 0 | 0 | 104.2 | Y358 T362 | Y358-H360 VanDerWaalsContact C-N 3.31Å; Y358-H360 PolarHBondContact O-N 3.16Å; H360-T362 PolarHBondContact O-N 3.14Å | ||
| 361 | S | 33.1 | Very low | 37.1 | Very low | 95 Ų | 95 | 152.5 Ų | 152.5 | 66% | 0.664 | 77% | 0.773 | S | S | * | * | trans | -65.7 | 85.1 | 165.3 | -175 | 0 | 0 | 0 | 0 | 105.2 | M359 S363 | M359-S361 PolarHBondContact O-N 3.46Å; S361-S363 PolarHBondContact O-N 3.16Å | ||
| 362 | T | 35.9 | Very low | 36.4 | Very low | 91 Ų | 91 | 150.5 Ų | 150.5 | 56% | 0.558 | 77% | 0.771 | S | S | * | * | trans | -63.9 | 82.5 | 159.5 | 30.6 | 0 | 0 | 0 | 0 | 106.6 | H360 H364 | H360-T362 PolarHBondContact O-N 3.14Å; T362-H364 PolarHBondContact O-N 3.06Å | ||
| 363 | S | 35.6 | Very low | 35.9 | Very low | 93 Ų | 93 | 151.3 Ų | 151.3 | 65% | 0.65 | 77% | 0.773 | S | S | * | * | trans | -62.4 | 89.9 | 154.8 | -55.8 | 0 | 0 | 0 | 0 | 105.7 | S361 I365 | S361-S363 PolarHBondContact O-N 3.16Å; S363-I365 VanDerWaalsContact C-N 3.26Å; S363-I365 PolarHBondContact O-N 2.81Å | ||
| 364 | H | 35.3 | Very low | 35.4 | Very low | 164 Ų | 164 | 147.9 Ų | 147.9 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | trans | -61.4 | 97.9 | 162.4 | -78.4 | -89.3 | 0 | 0 | 0 | 106.3 | T362 H366 | T362-H364 PolarHBondContact O-N 3.06Å; H364-H366 VanDerWaalsContact C-N 3.31Å; H364-H366 PolarHBondContact O-N 2.98Å | ||
| 365 | I | 38.8 | Very low | 35.1 | Very low | 146 Ų | 146 | 142.6 Ų | 142.6 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | trans | -64.6 | 101.7 | 162.9 | -63.9 | 173.5 | 0 | 0 | 0 | 104.9 | S363 L367 | S363-I365 VanDerWaalsContact C-N 3.26Å; S363-I365 PolarHBondContact O-N 2.81Å; I365-L367 VanDerWaalsContact C-N 3.33Å; I365-L367 HydrophobicContact CG2-CD1 4.36Å; I365-L367 PolarHBondContact O-N 2.97Å | ||
| 366 | H | 34.3 | Very low | 35 | Very low | 162 Ų | 162 | 140.5 Ų | 140.5 | 75% | 0.75 | 76% | 0.761 | S | S | * | * | trans | -68 | 96 | 171.2 | -145.9 | -67.8 | 0 | 0 | 0 | 106.7 | H364 T368 | H364-H366 VanDerWaalsContact C-N 3.31Å; H364-H366 PolarHBondContact O-N 2.98Å; H366-T368 VanDerWaalsContact C-N 3.35Å; H366-T368 PolarHBondContact O-N 3.39Å | ||
| 367 | L | 35.8 | Very low | 35 | Very low | 153 Ų | 153 | 139.8 Ų | 139.8 | 80% | 0.801 | 76% | 0.764 | S | S | * | * | trans | -69.4 | 96.5 | 169.1 | -130.6 | 99.4 | 0 | 0 | 0 | 106.7 | I365 S369 | I365-L367 VanDerWaalsContact C-N 3.33Å; I365-L367 HydrophobicContact CG2-CD1 4.36Å; I365-L367 PolarHBondContact O-N 2.97Å; L367-S369 PolarHBondContact O-N 3.2Å; L367-S369 VanDerWaalsContact O-N 3.1Å | ||
| 368 | T | 35.8 | Very low | 35 | Very low | 113 Ų | 113 | 140.5 Ų | 140.5 | 69% | 0.693 | 76% | 0.763 | S | S | * | * | trans | -68.9 | 106.2 | 166.6 | 39 | 0 | 0 | 0 | 0 | 107.5 | H366 I370 | H366-T368 VanDerWaalsContact C-N 3.35Å; H366-T368 PolarHBondContact O-N 3.39Å; T368-I370 PolarHBondContact O-N 3.42Å; T368-I370 VanDerWaalsContact O-N 3.1Å | ||
| 369 | S | 34.2 | Very low | 34.9 | Very low | 108 Ų | 108 | 137.2 Ų | 137.2 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | trans | -55.3 | 114.4 | 168.8 | -179 | 0 | 0 | 0 | 0 | 108.7 | L367 K371 | L367-S369 PolarHBondContact O-N 3.2Å; L367-S369 VanDerWaalsContact O-N 3.1Å; S369-K371 VanDerWaalsContact C-N 3.29Å; S369-K371 PolarHBondContact O-N 3.06Å | ||
| 370 | I | 38.3 | Very low | 34.9 | Very low | 160 Ų | 160 | 135.1 Ų | 135.1 | 82% | 0.821 | 76% | 0.756 | S | S | * | * | trans | -67.9 | 94.9 | 168.4 | -64 | 174.5 | 0 | 0 | 0 | 106.2 | T368 K372 | T368-I370 PolarHBondContact O-N 3.42Å; T368-I370 VanDerWaalsContact O-N 3.1Å; I370-K372 PolarHBondContact O-N 3.22Å | ||
| 371 | K | 34.4 | Very low | 34.9 | Very low | 185 Ų | 185 | 131.4 Ų | 131.4 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | -66.5 | 111 | 170.7 | -149.6 | 175.5 | -173.6 | -178.2 | 0 | 106.8 | S369 T373 | S369-K371 VanDerWaalsContact C-N 3.29Å; S369-K371 PolarHBondContact O-N 3.06Å; K371-T373 PolarHBondContact O-N 3.46Å; K371-T373 VanDerWaalsContact O-N 3.09Å | ||
| 372 | K | 33.6 | Very low | 35 | Very low | 193 Ų | 193 | 132.8 Ų | 132.8 | 84% | 0.839 | 76% | 0.76 | S | S | * | * | trans | -55.7 | 112.6 | 169.9 | -82.1 | 179.2 | 175 | 177.9 | 0 | 108.5 | I370 T374 | I370-K372 PolarHBondContact O-N 3.22Å; K372-T374 PolarHBondContact O-N 3.19Å | ||
| 373 | T | 33.7 | Very low | 34.7 | Very low | 139 Ų | 139 | 133.1 Ų | 133.1 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | trans | -78.1 | 97.1 | 170 | -15.3 | 0 | 0 | 0 | 0 | 108 | K371 | K371-T373 PolarHBondContact O-N 3.46Å; K371-T373 VanDerWaalsContact O-N 3.09Å | ||
| 374 | T | 35.3 | Very low | 34.6 | Very low | 115 Ų | 115 | 133 Ų | 133 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | -75.4 | 126.5 | 162.6 | -14.6 | 0 | 0 | 0 | 0 | 107.4 | K372 T376 | K372-T374 PolarHBondContact O-N 3.19Å; T374-T376 PolarHBondContact O-N 2.92Å | ||
| 375 | P | 34.1 | Very low | 34.4 | Very low | 122 Ų | 122 | 133.1 Ų | 133.1 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | trans | -78.2 | 110.3 | 179.5 | 29.7 | -29.7 | 0 | 0 | 0 | 109.1 | ||||
| 376 | T | 34.1 | Very low | 34.2 | Very low | 128 Ų | 128 | 129.6 Ų | 129.6 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -92.7 | 106.1 | 168.2 | -36.6 | 0 | 0 | 0 | 0 | 108.1 | T374 V378 | T374-T376 PolarHBondContact O-N 2.92Å; T376-V378 PolarHBondContact O-N 3.49Å | ||
| 377 | A | 35 | Very low | 34.1 | Very low | 94 Ų | 94 | 130 Ų | 130 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | trans | -67.2 | 125.5 | 169 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 378 | V | 33.3 | Very low | 33.9 | Very low | 126 Ų | 126 | 127.7 Ų | 127.7 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | trans | -105.1 | 108.2 | 170.1 | 178.8 | 0 | 0 | 0 | 0 | 107.4 | T376 | T376-V378 PolarHBondContact O-N 3.49Š| ||
| 379 | I | 34.3 | Very low | 34 | Very low | 155 Ų | 155 | 128.5 Ų | 128.5 | 80% | 0.795 | 79% | 0.791 | S | S | * | * | trans | -79.6 | 118.7 | 167.7 | -64.6 | 173.2 | 0 | 0 | 0 | 106.8 | ||||
| 380 | V | 32.3 | Very low | 34 | Very low | 135 Ų | 135 | 129.7 Ų | 129.7 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -83.3 | 115.6 | 169.9 | 177.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 381 | A | 35.6 | Very low | 33.6 | Very low | 82 Ų | 82 | 131 Ų | 131 | 68% | 0.678 | 80% | 0.797 | S | S | * | * | trans | -121.4 | 135 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 382 | P | 35.1 | Very low | 33.5 | Very low | 125 Ų | 125 | 131.1 Ų | 131.1 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | trans | -87.8 | 140.8 | 179.3 | 34.4 | -29.6 | 0 | 0 | 0 | 110.4 | ||||
| 383 | A | 31 | Very low | 33.4 | Very low | 97 Ų | 97 | 128.9 Ų | 128.9 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | 154 | 142.9 | 123.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 384 | A | 31.5 | Very low | 33.5 | Very low | 90 Ų | 90 | 126.6 Ų | 126.6 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | trans | 68.5 | 112.4 | 143.6 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 385 | N | 32.9 | Very low | 33.5 | Very low | 168 Ų | 168 | 132.9 Ų | 132.9 | 90% | 0.898 | 83% | 0.826 | S | S | * | * | trans | 64.5 | 114.9 | 146.8 | -78.6 | -2.7 | 0 | 0 | 0 | 119.9 | ||||
| 386 | G | 33.6 | Very low | 33.4 | Very low | 72 Ų | 72 | 133.5 Ų | 133.5 | 74% | 0.742 | 83% | 0.828 | S | S | * | * | 84.1 | 90.5 | 123.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 387 | N | 32.4 | Very low | 33.4 | Very low | 169 Ų | 169 | 133.7 Ų | 133.7 | 90% | 0.904 | 83% | 0.83 | S | S | * | * | trans | 30.1 | 108.5 | 147.6 | -83.8 | -2.5 | 0 | 0 | 0 | 118.5 | ||||
| 388 | S | 31.3 | Very low | 33.3 | Very low | 106 Ų | 106 | 135.9 Ų | 135.9 | 74% | 0.741 | 83% | 0.833 | S | S | * | * | trans | -161.9 | 111.7 | 135.8 | 58 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 389 | T | 37.5 | Very low | 33.3 | Very low | 129 Ų | 129 | 136.5 Ų | 136.5 | 79% | 0.791 | 84% | 0.837 | S | S | * | * | trans | 11.6 | 130.3 | 134 | 51.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 390 | T | 34.2 | Very low | 33.3 | Very low | 133 Ų | 133 | 135.4 Ų | 135.4 | 82% | 0.816 | 84% | 0.84 | S | S | * | * | -175.4 | 105.6 | 128.8 | 2.3 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 391 | Q | 31 | Very low | 33.3 | Very low | 187 Ų | 187 | 135.4 Ų | 135.4 | 87% | 0.874 | 84% | 0.841 | S | S | * | * | 56.9 | 109.8 | 82.3 | -152.5 | 171.5 | 16.9 | 0 | 0 | 113.8 | |||||
| 392 | E | 32.1 | Very low | 33.2 | Very low | 188 Ų | 188 | 139.2 Ų | 139.2 | 88% | 0.879 | 85% | 0.853 | S | S | * | * | trans | -63.8 | 140.9 | 177.2 | -74 | 172.2 | 120.7 | 0 | 0 | 112.7 | ||||
| 393 | V | 31.6 | Very low | 33 | Very low | 146 Ų | 146 | 140.3 Ų | 140.3 | 89% | 0.885 | 86% | 0.856 | S | S | * | * | trans | -128.5 | 125.4 | 151.9 | 178.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 394 | A | 36.1 | Very low | 33.2 | Very low | 91 Ų | 91 | 143.9 Ų | 143.9 | 75% | 0.752 | 86% | 0.86 | S | S | * | * | trans | -76.2 | 159.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 395 | L | 34.1 | Very low | 33.3 | Very low | 248 Ų | 248 | 148.8 Ų | 148.8 | 100% | 1.298 | 87% | 0.871 | S | S | * | * | trans | -132.2 | 0 | 152 | -110 | 162.5 | 0 | 0 | 0 | 109.3 |
Retrieved 395 of 395 residues in 707.2 ms
(Link to these results)