| 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 | 41.1 | Very low | 34.7 | Very low | 254 Ų | 254 | 137.6 Ų | 137.6 | 100% | 1.251 | 88% | 0.875 | S | S | * | * | 0 | 99.1 | 0 | -74.3 | 173.1 | 175.6 | 0 | 0 | 107.1 | |||||
| 2 | A | 35.2 | Very low | 34.4 | Very low | 106 Ų | 106 | 134.6 Ų | 134.6 | 88% | 0.876 | 87% | 0.871 | S | S | * | * | trans | -94.3 | 126.3 | -170.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 3 | G | 35.9 | Very low | 34.5 | Very low | 84 Ų | 84 | 135.8 Ų | 135.8 | 87% | 0.866 | 87% | 0.874 | S | S | * | * | trans | -93.9 | 107.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 4 | G | 33.1 | Very low | 34.2 | Very low | 77 Ų | 77 | 130.9 Ų | 130.9 | 79% | 0.794 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 125.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 5 | M | 33.3 | Very low | 34.9 | Very low | 188 Ų | 188 | 131.3 Ų | 131.3 | 93% | 0.926 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 133.6 | 171.7 | -119.4 | 148.4 | 90.5 | 0 | 0 | 110.4 | ||
| 6 | K | 33.9 | Very low | 34.5 | Very low | 210 Ų | 210 | 127.7 Ų | 127.7 | 91% | 0.913 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 124.7 | 175.5 | -70.9 | -178.8 | 175.6 | -179.6 | 0 | 110.3 | ||
| 7 | V | 33.4 | Very low | 35.4 | Very low | 127 Ų | 127 | 127.1 Ų | 127.1 | 77% | 0.77 | 85% | 0.851 | S | S | * | * | trans | -110.5 | 120.3 | 166.3 | 178 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 8 | A | 33.8 | Very low | 35.1 | Very low | 104 Ų | 104 | 134.4 Ų | 134.4 | 86% | 0.86 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 121.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 9 | V | 33.1 | Very low | 34.6 | Very low | 126 Ų | 126 | 131.2 Ų | 131.2 | 76% | 0.764 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 123.9 | 177 | 171 | 0 | 0 | 0 | 0 | 108.2 | ||
| 10 | S | 32.2 | Very low | 34.4 | Very low | 112 Ų | 112 | 138 Ų | 138 | 78% | 0.783 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 137 | 165 | -61.9 | 0 | 0 | 0 | 0 | 109.8 | ||
| 11 | P | 36.9 | Very low | 34.1 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 82% | 0.818 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 145.9 | 170.9 | 30.2 | -21.8 | 0 | 0 | 0 | 112 | ||
| 12 | A | 30.8 | Very low | 33.5 | Very low | 101 Ų | 101 | 129.8 Ų | 129.8 | 84% | 0.835 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 163.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 13 | V | 36.4 | Very low | 33.2 | Very low | 150 Ų | 150 | 128.5 Ų | 128.5 | 91% | 0.909 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 144.1 | 173.1 | 174.6 | 0 | 0 | 0 | 0 | 113.5 | ||
| 14 | G | 30 | Very low | 32.8 | Very low | 67 Ų | 67 | 128.6 Ų | 128.6 | 69% | 0.691 | 84% | 0.835 | S | S | * | * | trans | -154.4 | 144.1 | 161.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 15 | P | 45 | Very low | 32.6 | Very low | 138 Ų | 138 | 128.4 Ų | 128.4 | 90% | 0.896 | 83% | 0.833 | S | S | * | * | trans | -101.4 | 160.2 | -157.2 | 38.6 | -31.4 | 0 | 0 | 0 | 113.8 | ||||
| 16 | G | 28.8 | Very low | 32.4 | Very low | 73 Ų | 73 | 130.9 Ų | 130.9 | 75% | 0.753 | 83% | 0.832 | S | S | * | * | trans | -175.1 | 121 | 173 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 17 | P | 48.8 | Very low | 32.3 | Very low | 118 Ų | 118 | 126.3 Ų | 126.3 | 77% | 0.766 | 82% | 0.822 | S | S | * | * | trans | -95.6 | 170.6 | 177.9 | 37.9 | -31.3 | 0 | 0 | 0 | 112.4 | ||||
| 18 | W | 29.5 | Very low | 32.3 | Very low | 258 Ų | 258 | 126 Ų | 126 | 98% | 0.977 | 82% | 0.82 | S | S | * | * | trans | 133.1 | 133.3 | 166.3 | -77.6 | 21.9 | 0 | 0 | 0 | 108.5 | ||||
| 19 | G | 27.1 | Very low | 32.2 | Very low | 73 Ų | 73 | 132 Ų | 132 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | cis | 131.2 | 106.9 | 18.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 20 | W | 29.4 | Very low | 32.1 | Very low | 268 Ų | 268 | 133.8 Ų | 133.8 | 100% | 1.015 | 83% | 0.825 | S | S | * | * | trans | 53.6 | 147.3 | 156.1 | -83.4 | -17.3 | 0 | 0 | 0 | 124.2 | ||||
| 21 | G | 27.6 | Very low | 31.9 | Very low | 66 Ų | 66 | 136 Ų | 136 | 68% | 0.68 | 83% | 0.827 | S | S | * | * | trans | 144.6 | 79.7 | 162.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 22 | V | 30.2 | Very low | 31.8 | Very low | 154 Ų | 154 | 136.9 Ų | 136.9 | 93% | 0.933 | 82% | 0.824 | S | S | * | * | 74 | 126.2 | 85.5 | 177.7 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 23 | G | 28.8 | Very low | 31.8 | Very low | 79 Ų | 79 | 139.5 Ų | 139.5 | 81% | 0.814 | 82% | 0.822 | S | S | * | * | trans | 127.4 | 107.2 | 162.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 24 | G | 27.5 | Very low | 31.7 | Very low | 86 Ų | 86 | 140.4 Ų | 140.4 | 89% | 0.887 | 82% | 0.821 | S | S | * | * | cis | 123.2 | 111.9 | 20.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 25 | G | 27.9 | Very low | 31.8 | Very low | 73 Ų | 73 | 142.5 Ų | 142.5 | 75% | 0.753 | 83% | 0.825 | S | S | * | * | trans | 127.1 | 116.4 | 150.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 26 | R | 29.7 | Very low | 31.3 | Very low | 240 Ų | 240 | 139.2 Ų | 139.2 | 91% | 0.906 | 82% | 0.816 | S | S | * | * | trans | 76.6 | 134.9 | 144.8 | -70.7 | 175.5 | 147.9 | 160.9 | -5.7 | 117.4 | ||||
| 27 | T | 32 | Very low | 31.2 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 70% | 0.699 | 82% | 0.822 | S | S | * | * | cis | -176.1 | 137.6 | -8.7 | 11.8 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 28 | V | 32.4 | Very low | 30.1 | Very low | 120 Ų | 120 | 143.2 Ų | 143.2 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | trans | 64.5 | 110.1 | 139 | -173.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 29 | R | 31.2 | Very low | 30 | Very low | 231 Ų | 231 | 137.4 Ų | 137.4 | 87% | 0.872 | 82% | 0.815 | S | S | * | * | 177.7 | 117.5 | 106.1 | -92.5 | -176 | -178.5 | 167.4 | -0.1 | 111.3 | |||||
| 30 | L | 31 | Very low | 29.9 | Very low | 163 Ų | 163 | 143.9 Ų | 143.9 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | trans | -92.1 | 122.7 | 165.6 | -147.7 | 138.8 | 0 | 0 | 0 | 106.4 | ||||
| 31 | L | 30 | Very low | 29.9 | Very low | 158 Ų | 158 | 133.5 Ų | 133.5 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | trans | -154.9 | 119.8 | 160.9 | -119.8 | 151.7 | 0 | 0 | 0 | 109.9 | ||||
| 32 | L | 34.1 | Very low | 29.8 | Very low | 145 Ų | 145 | 136.4 Ų | 136.4 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | trans | -53.9 | 130.8 | 167.9 | -81.9 | 148.2 | 0 | 0 | 0 | 111.1 | ||||
| 33 | I | 30.4 | Very low | 29.6 | Very low | 156 Ų | 156 | 133.2 Ų | 133.2 | 80% | 0.8 | 79% | 0.789 | S | S | * | * | trans | -133.2 | 108 | 149.6 | -62.5 | -177.5 | 0 | 0 | 0 | 107.9 | ||||
| 34 | L | 34.9 | Very low | 29.7 | Very low | 169 Ų | 169 | 138 Ų | 138 | 89% | 0.885 | 79% | 0.79 | S | S | * | * | trans | -61.5 | 123 | 153.9 | -91.5 | 142.1 | 0 | 0 | 0 | 108.6 | ||||
| 35 | S | 31.4 | Very low | 29.8 | Very low | 110 Ų | 110 | 140.7 Ų | 140.7 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | -160.4 | 125.2 | 154.7 | 179.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 36 | G | 34.1 | Very low | 30 | Very low | 69 Ų | 69 | 144.3 Ų | 144.3 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | trans | -64.6 | 129.2 | -162.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L38 | G36-L38 PolarHBondContact O-N 2.99Š| ||
| 37 | C | 27.1 | Very low | 31.1 | Very low | 129 Ų | 129 | 136.2 Ų | 136.2 | 87% | 0.872 | 76% | 0.761 | S | S | * | * | trans | -78 | 98.6 | 146 | -76.8 | 0 | 0 | 0 | 0 | 106.6 | V39 | C37-V39 PolarHBondContact O-N 3.18Å; C37-V39 VanDerWaalsContact O-N 3.09Å | ||
| 38 | L | 26 | Very low | 32.3 | Very low | 146 Ų | 146 | 136.7 Ų | 136.7 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | trans | -37.5 | 116.5 | 159.4 | -82.8 | 141.5 | 0 | 0 | 0 | 108.8 | G36 Y40 | G36-L38 PolarHBondContact O-N 2.99Å; L38-Y40 PolarHBondContact O-N 3.44Å | ||
| 39 | V | 27.9 | Very low | 34 | Very low | 136 Ų | 136 | 133.5 Ų | 133.5 | 82% | 0.824 | 74% | 0.74 | S | S | * | * | trans | -52.8 | 96.9 | 149.7 | 174.4 | 0 | 0 | 0 | 0 | 104.7 | C37 G41 | C37-V39 PolarHBondContact O-N 3.18Å; C37-V39 VanDerWaalsContact O-N 3.09Å; V39-G41 PolarHBondContact O-N 3.05Å | ||
| 40 | Y | 24.9 | Very low | 36.3 | Very low | 209 Ų | 209 | 124 Ų | 124 | 82% | 0.82 | 71% | 0.708 | S | S | * | * | trans | -68.6 | 81.8 | 158.9 | -117.8 | -91.2 | 0 | 0 | 0 | 104.4 | L38 T42 | L38-Y40 PolarHBondContact O-N 3.44Å; Y40-T42 VanDerWaalsContact C-N 3.34Å; Y40-T42 PolarHBondContact O-N 2.78Å; Y40-T42 VanDerWaalsContact O-N 3.07Å | ||
| 41 | G | 28.8 | Very low | 38.6 | Very low | 50 Ų | 50 | 121.5 Ų | 121.5 | 52% | 0.515 | 69% | 0.693 | S | S | . | * | trans | -53.7 | 113.5 | 149.8 | 0 | 0 | 0 | 0 | 0 | 104.1 | V39 A43 | V39-G41 PolarHBondContact O-N 3.05Å; G41-A43 PolarHBondContact O-N 3.22Å | ||
| 42 | T | 26.4 | Very low | 40.9 | Very low | 128 Ų | 128 | 114.5 Ų | 114.5 | 79% | 0.785 | 66% | 0.657 | S | S | * | * | trans | -55.4 | 105.3 | 163.7 | 41.2 | 0 | 0 | 0 | 0 | 104.8 | Y40 E44 | Y40-T42 VanDerWaalsContact C-N 3.34Å; Y40-T42 PolarHBondContact O-N 2.78Å; Y40-T42 VanDerWaalsContact O-N 3.07Å; T42-E44 VanDerWaalsContact C-N 3.31Å; T42-E44 PolarHBondContact O-N 3.19Å | ||
| 43 | A | 24.5 | Very low | 43 | Very low | 87 Ų | 87 | 113.9 Ų | 113.9 | 72% | 0.719 | 65% | 0.65 | S | S | * | * | trans | -52 | 107.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 104.9 | G41 I45 | G41-A43 PolarHBondContact O-N 3.22Å; A43-I45 PolarHBondContact O-N 3.29Å | ||
| 44 | E | 31.5 | Very low | 45 | Very low | 179 Ų | 179 | 109.6 Ų | 109.6 | 84% | 0.836 | 63% | 0.627 | S | S | * | * | trans | -50.7 | 103.9 | 158.4 | -97.9 | 177.7 | 146.7 | 0 | 0 | 104.4 | T42 D46 | T42-E44 VanDerWaalsContact C-N 3.31Å; T42-E44 PolarHBondContact O-N 3.19Å; E44-D46 VanDerWaalsContact C-N 3.35Å; E44-D46 PolarHBondContact O-N 3.32Å | ||
| 45 | I | 29.7 | Very low | 47 | Very low | 143 Ų | 143 | 106.3 Ų | 106.3 | 73% | 0.733 | 62% | 0.618 | S | S | * | * | trans | -53.9 | 114.7 | 158.5 | -64.7 | 172.4 | 0 | 0 | 0 | 102.9 | A43 V47 | A43-I45 PolarHBondContact O-N 3.29Å; I45-V47 HydrophobicContact CG2-CG2 4.01Å; I45-V47 PolarHBondContact O-N 2.65Å | ||
| 46 | D | 32.2 | Very low | 49.2 | Very low | 149 Ų | 149 | 105.9 Ų | 105.9 | 80% | 0.797 | 60% | 0.603 | S | S | * | * | trans | -66.7 | 69 | -179.2 | -155.7 | -3.1 | 0 | 0 | 0 | 108.7 | E44 N48 | E44-D46 VanDerWaalsContact C-N 3.35Å; E44-D46 PolarHBondContact O-N 3.32Å; D46-N48 PolarHBondContact O-N 3.34Å | ||
| 47 | V | 52.2 | Low | 51.4 | Low | 69 Ų | 69 | 106.2 Ų | 106.2 | 42% | 0.418 | 59% | 0.591 | S | S | . | * | trans | -73.2 | 110.3 | 161.5 | -179.4 | 0 | 0 | 0 | 0 | 102.9 | I45 V49 Q65 | I45-V47 HydrophobicContact CG2-CG2 4.01Å; I45-V47 PolarHBondContact O-N 2.65Å; V47-V49 VanDerWaalsContact C-N 3.34Å; V47-V49 WeakPolarHBondContact O-CG2 3.35Å; V47-V49 PolarHBondContact O-N 3.44Å; V47-Q65 HydrophobicContact CG1-CB 4.25Å | ||
| 48 | N | 57.1 | Low | 53.9 | Low | 124 Ų | 124 | 101 Ų | 101 | 66% | 0.663 | 56% | 0.556 | S | S | * | * | trans | -42.1 | 95.1 | 175.8 | -91.8 | -71.3 | 0 | 0 | 0 | 111.2 | D46 | D46-N48 PolarHBondContact O-N 3.34Š| ||
| 49 | V | 68.8 | Low | 56.5 | Low | 53 Ų | 53 | 101 Ų | 101 | 32% | 0.321 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.6 | 117.5 | -179.3 | -179.8 | 0 | 0 | 0 | 0 | 107.4 | V47 M51 Q65 C67 | V47-V49 VanDerWaalsContact C-N 3.34Å; V47-V49 WeakPolarHBondContact O-CG2 3.35Å; V47-V49 PolarHBondContact O-N 3.44Å; V49-M51 HydrophobicContact CG1-CE 4.03Å; V49-Q65 WeakPolarHBondContact CA-O 3.37Å; V49-C67 HydrophobicContact CG1-CB 3.79Å; V49-C67 WeakPolarHBondContact CG1-SG 3.18Å |
| 50 | V | 78.8 | Confident | 59 | Low | 32 Ų | 32 | 98.2 Ų | 98.2 | 19% | 0.194 | 53% | 0.529 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 117.4 | 176.6 | -179.3 | 0 | 0 | 0 | 0 | 108.8 | Q65 F66 C67 | V50-Q65 PolarHBondContact N-O 3.27Å; V50-F66 HydrophobicContact CB-CD1 3.8Å; V50-F66 HydrophobicContact CB-CE1 3.91Å; V50-F66 HydrophobicContact CG1-CD1 4.05Å; V50-F66 HydrophobicContact CG1-CE1 4.02Å; V50-F66 HydrophobicContact CG2-CE1 4.45Å; V50-F66 WeakPolarHBondContact O-CA 3.43Å; V50-C67 PolarHBondContact O-N 3.04Å |
| 51 | M | 79.3 | Confident | 61.4 | Low | 111 Ų | 111 | 96.1 Ų | 96.1 | 55% | 0.547 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 126.1 | 173.5 | -67 | -65.7 | 165.6 | 0 | 0 | 109.9 | V49 C67 T69 | V49-M51 HydrophobicContact CG1-CE 4.03Å; M51-C67 WeakPolarHBondContact CA-O 3.21Å; M51-C67 HydrophobicContact CE-CB 4.13Å; M51-C67 HydrophobicContact SD-CB 3.88Å; M51-T69 HydrophobicContact SD-CG2 4.38Å |
| 52 | L | 79.4 | Confident | 63.5 | Low | 11 Ų | 11 | 96.2 Ų | 96.2 | 6% | 0.058 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 134.8 | 178.2 | -69.1 | 171 | 0 | 0 | 0 | 110.8 | C58 F66 C67 Y68 I85 V153 V155 | L52-C58 HydrophobicContact CD2-CB 4.18Å; L52-F66 HydrophobicContact CD1-CB 3.75Å; L52-F66 HydrophobicContact CD1-CD1 4.38Å; L52-F66 HydrophobicContact CD1-CG 4.31Å; L52-F66 HydrophobicContact CD2-CD1 3.7Å; L52-F66 HydrophobicContact CD2-CE1 4.34Å; L52-F66 HydrophobicContact CD2-CG 4.42Å; L52-F66 HydrophobicContact CG-CB 4.02Å; L52-F66 HydrophobicContact CG-CD1 4Å; L52-F66 HydrophobicContact CG-CG 4.39Å; L52-C67 PolarHBondContact N-O 2.92Å; L52-Y68 HydrophobicContact CB-CD2 4.48Å; L52-I85 HydrophobicContact CD1-CD1 4.47Å; L52-I85 HydrophobicContact CD1-CG2 4.27Å; L52-V153 HydrophobicContact CD1-CG1 3.64Å; L52-V153 HydrophobicContact CD2-CB 4.16Å; L52-V153 HydrophobicContact CD2-CG1 3.88Å; L52-V153 HydrophobicContact CG-CG1 4.44Å; L52-V155 HydrophobicContact CB-CG2 3.76Å; L52-V155 HydrophobicContact CD1-CG2 3.87Å; L52-V155 HydrophobicContact CG-CG2 4.36Å |
| 53 | Q | 76.8 | Confident | 65.7 | Low | 132 Ų | 132 | 93.1 Ų | 93.1 | 62% | 0.617 | 50% | 0.499 | S | S | * | . | trans | -105.7 | 149.4 | 172.2 | -165.6 | 167.1 | 2.2 | 0 | 0 | 110.6 | Q56 | Q53-Q56 HydrophobicContact CB-CB 4.28Å; Q53-Q56 PolarHBondContact O-N 2.97Å | ||
| 54 | E | 74.1 | Confident | 68.3 | Low | 66 Ų | 66 | 90.9 Ų | 90.9 | 31% | 0.308 | 47% | 0.474 | S | S | . | . | B | Isolated β-bridge | trans | -61.9 | 137.2 | -179.5 | -63.1 | -170.3 | 170 | 0 | 0 | 111.7 | Q56 Y68 R157 | E54-Q56 PolarHBondContact O-N 3.03Å; E54-Y68 HydrophobicContact CG-CE2 3.9Å; E54-Y68 PolarHBondContact OE1-OH 3.02Å; E54-R157 IonicContact OE1-CZ 4Å; E54-R157 IonicContact OE1-NE 2.78Å; E54-R157 IonicContact OE1-NH2 3.58Å; E54-R157 PolarHBondContact OE1-NH2 3.07Å; E54-R157 IonicContact OE2-NH2 3.98Å |
| 55 | S | 76.1 | Confident | 70.6 | Confident | 100 Ų | 100 | 84.5 Ų | 84.5 | 70% | 0.699 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 2 | -179.3 | -51 | 0 | 0 | 0 | 0 | 116.6 | V155 | S55-V155 PolarHBondContact N-O 3.4Š|
| 56 | Q | 78.5 | Confident | 73 | Confident | 100 Ų | 100 | 77.7 Ų | 77.7 | 47% | 0.467 | 41% | 0.409 | S | S | . | . | trans | -86.9 | 135.6 | 173.1 | -167.8 | 173.4 | 3 | 0 | 0 | 110.6 | Q53 E54 | Q53-Q56 HydrophobicContact CB-CB 4.28Å; Q53-Q56 PolarHBondContact O-N 2.97Å; E54-Q56 PolarHBondContact O-N 3.03Å | ||
| 57 | V | 80.4 | Confident | 75.3 | Confident | 76 Ų | 76 | 70.9 Ų | 70.9 | 46% | 0.461 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 117.8 | 177.7 | -171.7 | 0 | 0 | 0 | 0 | 109.3 | E59 I154 | V57-E59 HydrophobicContact CG1-CG 4.46Å; V57-I154 HydrophobicContact CB-CD1 4.36Å; V57-I154 HydrophobicContact CB-CG1 4.18Å; V57-I154 HydrophobicContact CG1-CD1 4.02Å; V57-I154 HydrophobicContact CG1-CG1 3.91Å; V57-I154 HydrophobicContact CG2-CD1 3.65Å; V57-I154 HydrophobicContact CG2-CG1 3.86Å |
| 58 | C | 77.5 | Confident | 76.6 | Confident | 19 Ų | 19 | 67.8 Ų | 67.8 | 13% | 0.128 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 109.6 | 175.6 | -73.3 | 0 | 0 | 0 | 0 | 110 | L52 S152 V153 | L52-C58 HydrophobicContact CD2-CB 4.18Å; C58-S152 WeakPolarHBondContact O-CA 3.29Å; C58-V153 PolarHBondContact N-O 2.82Å; C58-V153 PolarHBondContact O-N 3.04Å |
| 59 | E | 80.9 | Confident | 77.5 | Confident | 146 Ų | 146 | 64.2 Ų | 64.2 | 68% | 0.682 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 128.9 | 173.7 | -68.2 | -169.4 | 179.4 | 0 | 0 | 111.4 | V57 Y151 | V57-E59 HydrophobicContact CG1-CG 4.46Å; E59-Y151 WeakPolarHBondContact CA-O 3.14Å |
| 60 | K | 80.8 | Confident | 77.6 | Confident | 78 Ų | 78 | 63.1 Ų | 63.1 | 34% | 0.339 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 157.4 | 177.6 | -65 | -66.6 | -177.2 | -177.5 | 0 | 110.9 | Q64 F66 Y151 | K60-Q64 VanDerWaalsContact CD-OE1 3.27Å; K60-Q64 VanDerWaalsContact CE-OE1 3.3Å; K60-F66 HydrophobicContact CB-CZ 4.49Å; K60-F66 HydrophobicContact CG-CE1 4.42Å; K60-F66 HydrophobicContact CG-CZ 4.02Å; K60-Y151 HydrophobicContact CB-CE1 4Å; K60-Y151 HydrophobicContact CB-CE2 4.06Å; K60-Y151 WeakPolarHBondContact CB-OH 3.14Å; K60-Y151 PolarHBondContact N-O 3.3Å; K60-Y151 WeakPolarHBondContact O-CD1 3.39Å; K60-Y151 PolarHBondContact O-N 2.98Å |
| 61 | R | 74.6 | Confident | 77.1 | Confident | 165 Ų | 165 | 67.5 Ų | 67.5 | 62% | 0.623 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -119.2 | 1.3 | 178.9 | -58.7 | -166.6 | -167.9 | -170.3 | 10 | 113.7 | I144 K150 | R61-I144 VanDerWaalsContact O-CD1 3.28Å; R61-I144 WeakPolarHBondContact O-CD1 3.28Å; R61-K150 HydrophobicContact CG-CG 4.19Å; R61-K150 VanDerWaalsContact CZ-CE 3.41Å |
| 62 | A | 74.9 | Confident | 76.5 | Confident | 52 Ų | 52 | 66.8 Ų | 66.8 | 43% | 0.43 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -123.5 | 155.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q64 Y151 | A62-Q64 PolarHBondContact O-N 2.91Å; A62-Y151 WeakPolarHBondContact O-CE1 3.45Å; A62-Y151 PolarHBondContact O-OH 2.95Å |
| 63 | S | 72.6 | Confident | 75.8 | Confident | 64 Ų | 64 | 73.3 Ų | 73.3 | 45% | 0.448 | 39% | 0.387 | S | S | . | . | trans | -60.8 | 120.7 | 171.3 | -178.3 | 0 | 0 | 0 | 0 | 109.1 | V142 | S63-V142 WeakPolarHBondContact CA-O 3.36Å; S63-V142 PolarHBondContact OG-O 3.25Å; S63-V142 VanDerWaalsContact OG-O 3.12Å | ||
| 64 | Q | 78.9 | Confident | 75.4 | Confident | 40 Ų | 40 | 68.6 Ų | 68.6 | 19% | 0.187 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 154 | -178.6 | -70.1 | -166.1 | -27.5 | 0 | 0 | 111 | K60 A62 F66 V142 | K60-Q64 VanDerWaalsContact CD-OE1 3.27Å; K60-Q64 VanDerWaalsContact CE-OE1 3.3Å; A62-Q64 PolarHBondContact O-N 2.91Å; Q64-F66 HydrophobicContact CB-CE2 4.09Å; Q64-F66 HydrophobicContact CB-CZ 4.17Å; Q64-V142 PolarHBondContact O-N 3.46Å; Q64-V142 VanDerWaalsContact O-N 3.12Å |
| 65 | Q | 78.9 | Confident | 75.4 | Confident | 44 Ų | 44 | 71.9 Ų | 71.9 | 21% | 0.206 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 123.8 | 171.3 | -176.2 | 169 | -18.8 | 0 | 0 | 108.8 | V47 V49 V50 L140 | V47-Q65 HydrophobicContact CG1-CB 4.25Å; V49-Q65 WeakPolarHBondContact CA-O 3.37Å; V50-Q65 PolarHBondContact N-O 3.27Å; Q65-L140 CarbonylContact C-O 3.6Å; Q65-L140 WeakPolarHBondContact CA-O 3.3Å |
| 66 | F | 80.5 | Confident | 75.1 | Confident | 1 Ų | 1 | 77 Ų | 77 | 0% | 0.004 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 133.6 | 174.9 | -63.5 | -83.8 | 0 | 0 | 0 | 109.2 | V50 L52 K60 Q64 C139 L140 V142 Y151 V153 | V50-F66 HydrophobicContact CB-CD1 3.8Å; V50-F66 HydrophobicContact CB-CE1 3.91Å; V50-F66 HydrophobicContact CG1-CD1 4.05Å; V50-F66 HydrophobicContact CG1-CE1 4.02Å; V50-F66 HydrophobicContact CG2-CE1 4.45Å; V50-F66 WeakPolarHBondContact O-CA 3.43Å; L52-F66 HydrophobicContact CD1-CB 3.75Å; L52-F66 HydrophobicContact CD1-CD1 4.38Å; L52-F66 HydrophobicContact CD1-CG 4.31Å; L52-F66 HydrophobicContact CD2-CD1 3.7Å; L52-F66 HydrophobicContact CD2-CE1 4.34Å; L52-F66 HydrophobicContact CD2-CG 4.42Å; L52-F66 HydrophobicContact CG-CB 4.02Å; L52-F66 HydrophobicContact CG-CD1 4Å; L52-F66 HydrophobicContact CG-CG 4.39Å; K60-F66 HydrophobicContact CB-CZ 4.49Å; K60-F66 HydrophobicContact CG-CE1 4.42Å; K60-F66 HydrophobicContact CG-CZ 4.02Å; Q64-F66 HydrophobicContact CB-CE2 4.09Å; Q64-F66 HydrophobicContact CB-CZ 4.17Å; F66-C139 CarbonylContact O-C 3.47Å; F66-C139 VanDerWaalsContact O-CA 3.29Å; F66-C139 WeakPolarHBondContact O-CA 3.22Å; F66-L140 PolarHBondContact N-O 2.95Å; F66-L140 PolarHBondContact O-N 2.05Å; F66-V142 HydrophobicContact CD2-CG2 3.93Å; F66-V142 HydrophobicContact CE2-CB 4.36Å; F66-V142 HydrophobicContact CE2-CG2 4.04Å; F66-Y151 AromaticContact CE2-CE2 3.51Å; F66-Y151 HydrophobicContact CE2-CE2 3.51Å; F66-Y151 AromaticContact CE2-CZ 3.86Å; F66-Y151 WeakPolarHBondContact CE2-OH 3.47Å; F66-Y151 AromaticContact CZ-CE2 3.6Å; F66-Y151 HydrophobicContact CZ-CE2 3.6Å; F66-Y151 AromaticContact CZ-CZ 3.97Å; F66-Y151 WeakPolarHBondContact CZ-OH 3.43Å; F66-V153 HydrophobicContact CD2-CG2 4.26Å; F66-V153 HydrophobicContact CE1-CG2 4.37Å; F66-V153 HydrophobicContact CE2-CG2 3.97Å; F66-V153 HydrophobicContact CZ-CG2 4.02Å |
| 67 | C | 80.6 | Confident | 74.8 | Confident | 6 Ų | 6 | 78.2 Ų | 78.2 | 4% | 0.041 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 137.3 | 170.6 | -65.5 | 0 | 0 | 0 | 0 | 109.3 | V49 V50 M51 L52 T138 C139 | V49-C67 HydrophobicContact CG1-CB 3.79Å; V49-C67 WeakPolarHBondContact CG1-SG 3.18Å; V50-C67 PolarHBondContact O-N 3.04Å; M51-C67 WeakPolarHBondContact CA-O 3.21Å; M51-C67 HydrophobicContact CE-CB 4.13Å; M51-C67 HydrophobicContact SD-CB 3.88Å; L52-C67 PolarHBondContact N-O 2.92Å; C67-T138 WeakPolarHBondContact CA-O 3.44Å; C67-C139 HydrophobicContact CB-CB 4.25Å; C67-C139 WeakPolarHBondContact CB-SG 3.31Å; C67-C139 WeakPolarHBondContact SG-CB 2.91Å; C67-C139 CovalentContact SG-SG 2.05Å; C67-C139 PolarHBondContact SG-SG 2.89Å |
| 68 | Y | 80.1 | Confident | 74.5 | Confident | 4 Ų | 4 | 75.4 Ų | 75.4 | 2% | 0.016 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 130.7 | 172.2 | 171.5 | -103.6 | 0 | 0 | 0 | 108.5 | L52 E54 N70 I83 V131 K137 T138 V155 | L52-Y68 HydrophobicContact CB-CD2 4.48Å; E54-Y68 HydrophobicContact CG-CE2 3.9Å; E54-Y68 PolarHBondContact OE1-OH 3.02Å; Y68-N70 HydrophobicContact CE1-CB 3.99Å; Y68-I83 HydrophobicContact CE1-CD1 4.31Å; Y68-I83 HydrophobicContact CE1-CG2 3.95Å; Y68-V131 HydrophobicContact CD1-CG1 4.25Å; Y68-V131 HydrophobicContact CE1-CG1 4.43Å; Y68-K137 WeakPolarHBondContact O-CA 3.35Å; Y68-T138 PolarHBondContact N-O 2.73Å; Y68-T138 PolarHBondContact O-N 2.7Å; Y68-V155 HydrophobicContact CD2-CB 4.48Å; Y68-V155 HydrophobicContact CD2-CG1 4.02Å; Y68-V155 HydrophobicContact CD2-CG2 4.05Å; Y68-V155 HydrophobicContact CE2-CG1 3.82Å; Y68-V155 HydrophobicContact CG-CG1 4.47Å; Y68-V155 HydrophobicContact CG-CG2 4.5Å |
| 69 | T | 74.2 | Confident | 74.5 | Confident | 49 Ų | 49 | 75 Ų | 75 | 30% | 0.301 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 123.6 | 174.5 | 57.4 | 0 | 0 | 0 | 0 | 108.7 | M51 V71 T136 K137 | M51-T69 HydrophobicContact SD-CG2 4.38Å; T69-V71 PolarHBondContact O-N 2.76Å; T69-T136 WeakPolarHBondContact CA-O 3.19Å; T69-K137 HydrophobicContact CG2-CD 4.23Å; T69-K137 HydrophobicContact CG2-CG 3.9Å |
| 70 | N | 72.9 | Confident | 74.6 | Confident | 29 Ų | 29 | 70.4 Ų | 70.4 | 16% | 0.155 | 35% | 0.346 | C | S | . | . | trans | -85.2 | 106.6 | 174.1 | -169.4 | -2.3 | 0 | 0 | 0 | 108.8 | Y68 L72 I83 L133 T136 | Y68-N70 HydrophobicContact CE1-CB 3.99Å; N70-L72 PolarHBondContact OD1-N 3.05Å; N70-L72 PolarHBondContact OD1-O 3.27Å; N70-I83 WeakPolarHBondContact ND2-CD1 3.47Å; N70-L133 PolarHBondContact ND2-O 3.3Å; N70-T136 PolarHBondContact N-O 3.04Å | ||
| 71 | V | 66.3 | Low | 74.6 | Confident | 124 Ų | 124 | 67.5 Ų | 67.5 | 75% | 0.752 | 33% | 0.334 | S | S | * | . | trans | -96 | -9.3 | -178.3 | -165.8 | 0 | 0 | 0 | 0 | 111.6 | T69 | T69-V71 PolarHBondContact O-N 2.76Š| ||
| 72 | L | 67.4 | Low | 74.8 | Confident | 96 Ų | 96 | 62.7 Ų | 62.7 | 50% | 0.503 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -93.4 | 125.9 | -174.9 | -70.6 | 167.8 | 0 | 0 | 0 | 111.5 | N70 | N70-L72 PolarHBondContact OD1-N 3.05Å; N70-L72 PolarHBondContact OD1-O 3.27Å |
| 73 | I | 66 | Low | 74.9 | Confident | 149 Ų | 149 | 60.2 Ų | 60.2 | 76% | 0.764 | 30% | 0.296 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 122.1 | 171.7 | -56.1 | 169 | 0 | 0 | 0 | 107.9 | K75 | I73-K75 PolarHBondContact O-N 3.04Š|
| 74 | P | 68 | Low | 75.1 | Confident | 32 Ų | 32 | 59.3 Ų | 59.3 | 21% | 0.208 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 133.2 | -178.3 | 24.8 | -32.3 | 0 | 0 | 0 | 110.7 | D78 L133 Y134 I298 | P74-D78 HydrophobicContact CB-CB 4.46Å; P74-L133 HydrophobicContact CB-CD2 4.45Å; P74-Y134 HydrophobicContact CG-CE2 3.8Å; P74-I298 HydrophobicContact CB-CD1 4.23Å; P74-I298 HydrophobicContact CG-CD1 4.39Å |
| 75 | K | 72.8 | Confident | 75.1 | Confident | 135 Ų | 135 | 57.4 Ų | 57.4 | 59% | 0.587 | 28% | 0.276 | S | S | * | . | P | Polyproline II helix | trans | -94.1 | 169.9 | 174.7 | -66.4 | -178.7 | -179.7 | 177.6 | 0 | 110.7 | I73 H77 D78 | I73-K75 PolarHBondContact O-N 3.04Å; K75-H77 VanDerWaalsContact CB-CE1 3.47Å; K75-H77 WeakPolarHBondContact CB-CE1 3.33Å; K75-H77 VanDerWaalsContact CD-CE1 3.48Å; K75-H77 WeakPolarHBondContact CD-CE1 3.42Å; K75-H77 PolarHBondContact O-N 3.12Å; K75-D78 PolarHBondContact N-OD2 3.39Å; K75-D78 WeakPolarHBondContact O-CB 3.34Å; K75-D78 PolarHBondContact O-N 3.3Å |
| 76 | W | 69.7 | Low | 75.1 | Confident | 207 Ų | 207 | 58.3 Ų | 58.3 | 78% | 0.784 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -59.1 | -27.7 | -179.6 | -69.3 | 93 | 0 | 0 | 0 | 114.6 | D78 I79 | W76-D78 VanDerWaalsContact C-N 3.28Å; W76-I79 HydrophobicContact CE3-CD1 4.33Å; W76-I79 WeakPolarHBondContact O-CD1 3.41Å; W76-I79 WeakPolarHBondContact O-CG1 3.42Å |
| 77 | H | 72.2 | Confident | 75 | Confident | 127 Ų | 127 | 58.3 Ų | 58.3 | 59% | 0.588 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -79.4 | -10.4 | 175.4 | 50.4 | -93.7 | 0 | 0 | 0 | 113.4 | K75 I79 | K75-H77 VanDerWaalsContact CB-CE1 3.47Å; K75-H77 WeakPolarHBondContact CB-CE1 3.33Å; K75-H77 VanDerWaalsContact CD-CE1 3.48Å; K75-H77 WeakPolarHBondContact CD-CE1 3.42Å; K75-H77 PolarHBondContact O-N 3.12Å; H77-I79 VanDerWaalsContact C-N 3.32Å; H77-I79 PolarHBondContact O-N 3.11Å |
| 78 | D | 73.9 | Confident | 75 | Confident | 17 Ų | 17 | 61.7 Ų | 61.7 | 9% | 0.091 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -87.2 | 0.5 | -177.4 | -64.3 | -39.5 | 0 | 0 | 0 | 113.3 | P74 K75 W76 W80 T81 | P74-D78 HydrophobicContact CB-CB 4.46Å; K75-D78 PolarHBondContact N-OD2 3.39Å; K75-D78 WeakPolarHBondContact O-CB 3.34Å; K75-D78 PolarHBondContact O-N 3.3Å; W76-D78 VanDerWaalsContact C-N 3.28Å; D78-W80 VanDerWaalsContact C-N 3.25Å; D78-W80 PolarHBondContact O-N 2.87Å; D78-T81 WeakPolarHBondContact CA-OG1 3.35Å; D78-T81 HydrophobicContact CB-CG2 4.27Å; D78-T81 WeakPolarHBondContact CB-OG1 3.32Å; D78-T81 WeakPolarHBondContact O-CB 3.43Å; D78-T81 PolarHBondContact O-N 3.47Å; D78-T81 PolarHBondContact O-OG1 3.32Å |
| 79 | I | 79.1 | Confident | 74.7 | Confident | 10 Ų | 10 | 62.6 Ų | 62.6 | 5% | 0.051 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -39.2 | -174.6 | -66.8 | 169.4 | 0 | 0 | 0 | 112.5 | W76 H77 I296 I301 | W76-I79 HydrophobicContact CE3-CD1 4.33Å; W76-I79 WeakPolarHBondContact O-CD1 3.41Å; W76-I79 WeakPolarHBondContact O-CG1 3.42Å; H77-I79 VanDerWaalsContact C-N 3.32Å; H77-I79 PolarHBondContact O-N 3.11Å; I79-I296 HydrophobicContact CG2-CG1 4.02Å; I79-I296 HydrophobicContact CG2-CG2 4.02Å; I79-I301 HydrophobicContact CD1-CG2 4.15Å; I79-I301 HydrophobicContact CG1-CD1 4.39Å; I79-I301 HydrophobicContact CG1-CG2 4.41Å |
| 80 | W | 83.3 | Confident | 74.6 | Confident | 50 Ų | 50 | 64.4 Ų | 64.4 | 19% | 0.189 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | 16.4 | 178.5 | -56 | -74 | 0 | 0 | 0 | 113 | D78 F159 D160 F164 F167 | D78-W80 VanDerWaalsContact C-N 3.25Å; D78-W80 PolarHBondContact O-N 2.87Å; W80-F159 HydrophobicContact CB-CD2 4.03Å; W80-F159 HydrophobicContact CB-CE2 3.61Å; W80-F159 HydrophobicContact CB-CZ 4.39Å; W80-F159 HydrophobicContact CE3-CE2 4.4Å; W80-F159 HydrophobicContact CG-CE2 4.37Å; W80-D160 PolarHBondContact O-N 3.46Å; W80-F164 HydrophobicContact CD2-CB 4.5Å; W80-F164 AromaticContact CD2-CD2 3.85Å; W80-F164 HydrophobicContact CD2-CD2 3.85Å; W80-F164 AromaticContact CE2-CD2 3.78Å; W80-F164 HydrophobicContact CE3-CD2 4.12Å; W80-F164 HydrophobicContact CG-CB 4.12Å; W80-F164 HydrophobicContact CG-CD2 4.34Å; W80-F164 HydrophobicContact CH2-CD2 4.27Å; W80-F164 HydrophobicContact CH2-CE2 4.3Å; W80-F164 HydrophobicContact CZ2-CD2 4.01Å; W80-F164 HydrophobicContact CZ2-CE2 4.33Å; W80-F164 HydrophobicContact CZ3-CD2 4.32Å; W80-F164 HydrophobicContact CZ3-CE2 4.48Å; W80-F167 AromaticContact CZ2-CD1 3.71Å; W80-F167 HydrophobicContact CZ2-CD1 3.71Å; W80-F167 AromaticContact CZ2-CE1 3.94Å; W80-F167 HydrophobicContact CZ2-CE1 3.94Å; W80-F167 HydrophobicContact CZ2-CG 4.29Å |
| 81 | T | 80.4 | Confident | 74.5 | Confident | 16 Ų | 16 | 67.1 Ų | 67.1 | 10% | 0.098 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 147.4 | 171 | 66.1 | 0 | 0 | 0 | 0 | 109.7 | D78 L133 R158 Q297 | D78-T81 WeakPolarHBondContact CA-OG1 3.35Å; D78-T81 HydrophobicContact CB-CG2 4.27Å; D78-T81 WeakPolarHBondContact CB-OG1 3.32Å; D78-T81 WeakPolarHBondContact O-CB 3.43Å; D78-T81 PolarHBondContact O-N 3.47Å; D78-T81 PolarHBondContact O-OG1 3.32Å; T81-L133 VanDerWaalsContact O-CD1 3.22Å; T81-L133 WeakPolarHBondContact O-CD1 3.28Å; T81-R158 CarbonylContact C-O 3.5Å; T81-R158 WeakPolarHBondContact CA-O 3.48Å; T81-Q297 PolarHBondContact O-NE2 2.81Å |
| 82 | R | 77.5 | Confident | 74.4 | Confident | 64 Ų | 64 | 67 Ų | 67 | 24% | 0.242 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 132 | 177.4 | -165.7 | 170.5 | -166.5 | 168.9 | 7.4 | 108.8 | Q84 N130 R158 D160 | R82-Q84 HydrophobicContact CG-CG 4.13Å; R82-N130 PolarHBondContact NE-OD1 2.68Å; R82-N130 PolarHBondContact NH2-ND2 2.78Å; R82-R158 PolarHBondContact N-O 3.31Å; R82-R158 PolarHBondContact O-N 3.42Å; R82-R158 VanDerWaalsContact O-N 3.08Å; R82-D160 HydrophobicContact CB-CB 4.1Å; R82-D160 VanDerWaalsContact CD-OD2 3.22Å; R82-D160 WeakPolarHBondContact CD-OD2 3.31Å; R82-D160 IonicContact CZ-OD2 3.92Å; R82-D160 IonicContact NE-OD2 3.58Å; R82-D160 IonicContact NH1-OD2 3.7Å; R82-D160 PolarHBondContact NH1-OD2 3.19Å |
| 83 | I | 77.7 | Confident | 74.4 | Confident | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 118.7 | 173.1 | -56.6 | 173.5 | 0 | 0 | 0 | 107 | Y68 N70 V131 L133 V155 R157 | Y68-I83 HydrophobicContact CE1-CD1 4.31Å; Y68-I83 HydrophobicContact CE1-CG2 3.95Å; N70-I83 WeakPolarHBondContact ND2-CD1 3.47Å; I83-V131 HydrophobicContact CB-CB 4.19Å; I83-V131 HydrophobicContact CG2-CB 4.07Å; I83-V131 HydrophobicContact CG2-CG1 4.46Å; I83-V131 PolarHBondContact O-N 2.92Å; I83-L133 HydrophobicContact CD1-CG 4.38Å; I83-L133 HydrophobicContact CG1-CD1 4.41Å; I83-V155 HydrophobicContact CG2-CG1 3.8Å; I83-R157 HydrophobicContact CG1-CG 4.49Å |
| 84 | Q | 76.9 | Confident | 74.1 | Confident | 44 Ų | 44 | 63.3 Ų | 63.3 | 21% | 0.206 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 127.3 | 179.2 | -67.1 | -175.5 | -21.3 | 0 | 0 | 109.4 | R82 I156 | R82-Q84 HydrophobicContact CG-CG 4.13Å; Q84-I156 PolarHBondContact N-O 2.72Å; Q84-I156 PolarHBondContact O-N 3.49Å |
| 85 | I | 78.4 | Confident | 73.9 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 109.9 | 167.9 | -54.3 | -178.5 | 0 | 0 | 0 | 106.4 | L52 V87 V129 V131 L140 V153 V155 | L52-I85 HydrophobicContact CD1-CD1 4.47Å; L52-I85 HydrophobicContact CD1-CG2 4.27Å; I85-V87 HydrophobicContact CG2-CG2 4.46Å; I85-V129 PolarHBondContact N-O 3.44Å; I85-V129 PolarHBondContact O-N 2.98Å; I85-V131 HydrophobicContact CD1-CG2 3.54Å; I85-V131 HydrophobicContact CG1-CG2 3.78Å; I85-L140 HydrophobicContact CB-CD1 3.9Å; I85-L140 HydrophobicContact CD1-CD1 3.4Å; I85-L140 VanDerWaalsContact CD1-CD1 3.4Å; I85-L140 HydrophobicContact CD1-CG 4.41Å; I85-L140 HydrophobicContact CG1-CD1 4.2Å; I85-L140 HydrophobicContact CG2-CD1 3.58Å; I85-V153 HydrophobicContact CG2-CG1 3.57Å; I85-V155 HydrophobicContact CG1-CG1 4.41Å; I85-V155 HydrophobicContact CG1-CG2 4.11Å |
| 86 | R | 79.2 | Confident | 73.4 | Confident | 64 Ų | 64 | 59.4 Ų | 59.4 | 24% | 0.242 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 120 | 176.7 | 179 | -177.9 | -80.8 | -172.3 | -8 | 108.2 | D126 Y128 V153 I154 | R86-D126 HydrophobicContact CG-CB 4.34Å; R86-Y128 HydrophobicContact CB-CD1 4.4Å; R86-Y128 HydrophobicContact CB-CE1 4.24Å; R86-Y128 HydrophobicContact CG-CE1 4.07Å; R86-Y128 VanDerWaalsContact NE-CE1 3.27Å; R86-Y128 PolarHBondContact NE-OH 2.93Å; R86-Y128 PolarHBondContact NH2-OH 3.43Å; R86-V153 WeakPolarHBondContact O-CA 3.43Å; R86-I154 PolarHBondContact N-O 2.85Å; R86-I154 PolarHBondContact O-N 3.09Å |
| 87 | V | 78.8 | Confident | 73 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 112.8 | 170 | -170.3 | 0 | 0 | 0 | 0 | 108.2 | I85 I93 V95 T127 Y151 S152 V153 | I85-V87 HydrophobicContact CG2-CG2 4.46Å; V87-I93 HydrophobicContact CB-CD1 4.24Å; V87-I93 HydrophobicContact CG1-CD1 3.34Å; V87-V95 HydrophobicContact CB-CG2 4.42Å; V87-V95 HydrophobicContact CG1-CG2 4.42Å; V87-V95 HydrophobicContact CG2-CG2 4.32Å; V87-T127 PolarHBondContact N-O 3.46Å; V87-T127 PolarHBondContact O-N 2.87Å; V87-Y151 HydrophobicContact CG1-CD2 4.27Å; V87-S152 WeakPolarHBondContact CA-O 3.29Å; V87-V153 HydrophobicContact CG1-CG2 4.25Å; V87-V153 HydrophobicContact CG2-CG1 4.33Å; V87-V153 HydrophobicContact CG2-CG2 4.29Å |
| 88 | N | 80.2 | Confident | 72.2 | Confident | 77 Ų | 77 | 50.7 Ų | 50.7 | 41% | 0.412 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 124.1 | 175.4 | 178.7 | 1.4 | 0 | 0 | 0 | 108.6 | Y151 S152 | N88-Y151 CarbonylContact O-C 3.49Å; N88-Y151 WeakPolarHBondContact O-CA 3.29Å; N88-S152 PolarHBondContact N-O 2.85Å; N88-S152 PolarHBondContact O-N 3.1Å; N88-S152 PolarHBondContact O-OG 3.05Å |
| 89 | S | 74.8 | Confident | 71.3 | Confident | 23 Ų | 23 | 54.9 Ų | 54.9 | 16% | 0.161 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 141.8 | -178.5 | 175.8 | 0 | 0 | 0 | 0 | 110.2 | K91 I93 | S89-K91 WeakPolarHBondContact CB-O 3.36Å; S89-K91 PolarHBondContact O-N 3.09Å; S89-K91 PolarHBondContact OG-N 2.94Å; S89-K91 PolarHBondContact OG-O 3.15Å; S89-I93 VanDerWaalsContact OG-CG2 3.31Å; S89-I93 WeakPolarHBondContact OG-CG2 3.37Å |
| 90 | S | 70.3 | Confident | 69.8 | Low | 87 Ų | 87 | 59.7 Ų | 59.7 | 61% | 0.608 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -68.5 | -17.4 | 176.2 | 62.3 | 0 | 0 | 0 | 0 | 113.7 | K150 | S90-K150 PolarHBondContact N-O 2.66Š|
| 91 | K | 71.3 | Confident | 67.9 | Low | 85 Ų | 85 | 65.3 Ų | 65.3 | 37% | 0.37 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -147.8 | 172.4 | -170.5 | -80 | 172.4 | 176.9 | 171.2 | 0 | 110.4 | S89 I93 E146 K147 D148 T149 | S89-K91 WeakPolarHBondContact CB-O 3.36Å; S89-K91 PolarHBondContact O-N 3.09Å; S89-K91 PolarHBondContact OG-N 2.94Å; S89-K91 PolarHBondContact OG-O 3.15Å; K91-I93 PolarHBondContact O-N 3.42Å; K91-E146 WeakPolarHBondContact CB-OE2 3.35Å; K91-E146 HydrophobicContact CD-CB 4.35Å; K91-E146 WeakPolarHBondContact CD-OE2 3.34Å; K91-E146 WeakPolarHBondContact CG-OE2 3.43Å; K91-K147 PolarHBondContact NZ-O 2.74Å; K91-D148 PolarHBondContact NZ-O 3.04Å; K91-T149 HydrophobicContact CB-CG2 3.34Å; K91-T149 HydrophobicContact CD-CG2 3.68Å; K91-T149 HydrophobicContact CG-CG2 4.17Å |
| 92 | L | 65.5 | Low | 66.3 | Low | 121 Ų | 121 | 71.4 Ų | 71.4 | 63% | 0.634 | 36% | 0.357 | S | S | * | . | trans | -61 | 125.6 | -177.1 | -77.3 | 160.9 | 0 | 0 | 0 | 112.6 | ||||
| 93 | I | 66 | Low | 64.7 | Low | 26 Ų | 26 | 72.1 Ų | 72.1 | 13% | 0.133 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 149.5 | 176.3 | 52.1 | 160.1 | 0 | 0 | 0 | 110.2 | V87 S89 K91 V95 V142 | V87-I93 HydrophobicContact CB-CD1 4.24Å; V87-I93 HydrophobicContact CG1-CD1 3.34Å; S89-I93 VanDerWaalsContact OG-CG2 3.31Å; S89-I93 WeakPolarHBondContact OG-CG2 3.37Å; K91-I93 PolarHBondContact O-N 3.42Å; I93-V95 HydrophobicContact CD1-CG2 3.93Å; I93-V142 HydrophobicContact CB-CG1 4.48Å; I93-V142 HydrophobicContact CD1-CG1 4.27Å |
| 94 | R | 59.4 | Low | 62.9 | Low | 143 Ų | 143 | 76.4 Ų | 76.4 | 54% | 0.54 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 113.6 | 172.6 | -178.4 | -177.5 | -66.7 | -176.7 | -1.3 | 108.4 | T96 E143 I145 | R94-T96 HydrophobicContact CG-CG2 4.15Å; R94-E143 HydrophobicContact CB-CB 4.25Å; R94-E143 PolarHBondContact N-O 2.93Å; R94-E143 PolarHBondContact O-N 3.12Å; R94-I145 HydrophobicContact CB-CD1 4.11Å; R94-I145 HydrophobicContact CB-CG1 4.34Å |
| 95 | V | 64.2 | Low | 61.1 | Low | 31 Ų | 31 | 82.8 Ų | 82.8 | 19% | 0.188 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 115.6 | 173.5 | -175.2 | 0 | 0 | 0 | 0 | 107.7 | V87 I93 T127 V129 L140 V142 | V87-V95 HydrophobicContact CB-CG2 4.42Å; V87-V95 HydrophobicContact CG1-CG2 4.42Å; V87-V95 HydrophobicContact CG2-CG2 4.32Å; I93-V95 HydrophobicContact CD1-CG2 3.93Å; V95-T127 HydrophobicContact CG2-CG2 4.32Å; V95-V129 HydrophobicContact CG1-CG2 3.98Å; V95-L140 HydrophobicContact CG1-CD2 4.1Å; V95-V142 HydrophobicContact CG1-CG2 4.46Å; V95-V142 HydrophobicContact CG2-CG1 4.46Å; V95-V142 HydrophobicContact CG2-CG2 4.33Å |
| 96 | T | 62.8 | Low | 59.5 | Low | 53 Ų | 53 | 90.4 Ų | 90.4 | 33% | 0.325 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 130.8 | 171.8 | 49.8 | 0 | 0 | 0 | 0 | 109.1 | R94 V98 K141 | R94-T96 HydrophobicContact CG-CG2 4.15Å; T96-V98 PolarHBondContact O-N 3.07Å; T96-K141 PolarHBondContact N-O 3.48Å; T96-K141 PolarHBondContact O-N 2.99Å; T96-K141 PolarHBondContact OG1-O 3.49Å |
| 97 | Q | 62.1 | Low | 57.8 | Low | 91 Ų | 91 | 91.3 Ų | 91.3 | 43% | 0.425 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 120.1 | 169.5 | -172 | 171.2 | -20.6 | 0 | 0 | 107.1 | E99 L140 | Q97-E99 HydrophobicContact CG-CG 4.14Å; Q97-E99 PolarHBondContact O-N 3.08Å; Q97-L140 HydrophobicContact CB-CD2 4.43Å |
| 98 | V | 55 | Low | 56 | Low | 60 Ų | 60 | 98.4 Ų | 98.4 | 36% | 0.364 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 95.4 | 175.7 | -178.1 | 0 | 0 | 0 | 0 | 105.6 | T96 C139 K141 | T96-V98 PolarHBondContact O-N 3.07Å; V98-C139 HydrophobicContact CB-CB 4.46Å; V98-C139 PolarHBondContact N-O 2.88Å; V98-K141 HydrophobicContact CG2-CB 3.75Å |
| 99 | E | 54.5 | Low | 54 | Low | 105 Ų | 105 | 103 Ų | 103 | 49% | 0.491 | 51% | 0.508 | S | S | . | . | trans | -77.8 | 126.4 | -176.9 | -74.4 | 171.1 | 164.2 | 0 | 0 | 110.3 | Q97 L104 | Q97-E99 HydrophobicContact CG-CG 4.14Å; Q97-E99 PolarHBondContact O-N 3.08Å; E99-L104 WeakPolarHBondContact OE2-CD1 3.37Å | ||
| 100 | N | 48.5 | Very low | 52.4 | Low | 112 Ų | 112 | 105.2 Ų | 105.2 | 60% | 0.599 | 52% | 0.515 | S | S | * | . | trans | -70.4 | 126 | 162.2 | -79 | -9.7 | 0 | 0 | 0 | 107.8 | D102 K103 | N100-D102 PolarHBondContact O-N 2.94Å; N100-K103 PolarHBondContact O-N 2.9Å | ||
| 101 | E | 42.4 | Very low | 51.2 | Low | 168 Ų | 168 | 105 Ų | 105 | 79% | 0.785 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -52.6 | -23.9 | -171.6 | -64.7 | -178.7 | 160.8 | 0 | 0 | 114.4 | K103 L104 | E101-K103 VanDerWaalsContact C-N 3.34Å; E101-K103 PolarHBondContact O-N 2.91Å; E101-L104 WeakPolarHBondContact O-CB 3.21Å; E101-L104 PolarHBondContact O-N 3Å |
| 102 | D | 46.3 | Very low | 50 | Low | 144 Ų | 144 | 107 Ų | 107 | 77% | 0.77 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -72.1 | -22.4 | -176.5 | -53 | -41.4 | 0 | 0 | 0 | 114.2 | N100 | N100-D102 PolarHBondContact O-N 2.94Š|
| 103 | K | 43.5 | Very low | 49.1 | Very low | 79 Ų | 79 | 105.7 Ų | 105.7 | 34% | 0.343 | 51% | 0.514 | S | S | . | . | G | 310 helix | trans | -89.1 | -10.7 | 178.3 | -72.7 | -170.3 | 174.2 | 171.6 | 0 | 114.2 | N100 E101 K105 L107 S135 | N100-K103 PolarHBondContact O-N 2.9Å; E101-K103 VanDerWaalsContact C-N 3.34Å; E101-K103 PolarHBondContact O-N 2.91Å; K103-K105 VanDerWaalsContact C-N 3.27Å; K103-K105 PolarHBondContact O-N 3.06Å; K103-L107 HydrophobicContact CB-CD1 4.5Å; K103-L107 WeakPolarHBondContact O-CD1 3.24Å; K103-L107 WeakPolarHBondContact O-CG 3.23Å; K103-L107 PolarHBondContact O-N 2.69Å; K103-S135 PolarHBondContact NZ-OG 2.95Å |
| 104 | L | 41.8 | Very low | 48.4 | Very low | 91 Ų | 91 | 108.6 Ų | 108.6 | 48% | 0.476 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.6 | -31.7 | -177.8 | -153 | 78 | 0 | 0 | 0 | 111.5 | E99 E101 E108 | E99-L104 WeakPolarHBondContact OE2-CD1 3.37Å; E101-L104 WeakPolarHBondContact O-CB 3.21Å; E101-L104 PolarHBondContact O-N 3Å; L104-E108 PolarHBondContact O-N 3.36Å |
| 105 | K | 37.9 | Very low | 47.7 | Very low | 177 Ų | 177 | 105 Ų | 105 | 77% | 0.77 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -77.9 | -25.8 | -177.6 | -66.7 | -176.4 | -179.6 | 175.8 | 0 | 114.4 | K103 | K103-K105 VanDerWaalsContact C-N 3.27Å; K103-K105 PolarHBondContact O-N 3.06Å |
| 106 | E | 44.2 | Very low | 46.7 | Very low | 160 Ų | 160 | 109.1 Ų | 109.1 | 75% | 0.748 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -85.9 | -24.3 | 174.6 | -68.4 | -160.2 | 158.9 | 0 | 0 | 112.8 | ||
| 107 | L | 43.4 | Very low | 45.9 | Very low | 83 Ų | 83 | 108.8 Ų | 108.8 | 44% | 0.435 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -80.5 | -18.9 | -179.8 | -75.1 | 164.5 | 0 | 0 | 0 | 113.8 | K103 Q109 F110 | K103-L107 HydrophobicContact CB-CD1 4.5Å; K103-L107 WeakPolarHBondContact O-CD1 3.24Å; K103-L107 WeakPolarHBondContact O-CG 3.23Å; K103-L107 PolarHBondContact O-N 2.69Å; L107-Q109 VanDerWaalsContact C-N 3.27Å; L107-Q109 PolarHBondContact O-N 2.81Å; L107-F110 PolarHBondContact O-N 3.48Å |
| 108 | E | 41.4 | Very low | 45.3 | Very low | 150 Ų | 150 | 106.6 Ų | 106.6 | 70% | 0.701 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -65.7 | -29.1 | 171.3 | -85 | -173.4 | 147.1 | 0 | 0 | 112.6 | L104 F110 S111 | L104-E108 PolarHBondContact O-N 3.36Å; E108-F110 PolarHBondContact O-N 2.95Å; E108-F110 VanDerWaalsContact O-N 3.12Å; E108-S111 PolarHBondContact O-N 3.24Å |
| 109 | Q | 39.5 | Very low | 44.8 | Very low | 174 Ų | 174 | 105.1 Ų | 105.1 | 81% | 0.813 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -64.4 | -17 | 177.7 | -162.7 | 76.7 | 3.5 | 0 | 0 | 112.7 | L107 | L107-Q109 VanDerWaalsContact C-N 3.27Å; L107-Q109 PolarHBondContact O-N 2.81Å |
| 110 | F | 40.4 | Very low | 44.2 | Very low | 69 Ų | 69 | 106.3 Ų | 106.3 | 30% | 0.303 | 53% | 0.526 | S | S | . | . | G | 310 helix | trans | -109.3 | 23.2 | -179 | -76.7 | -80.7 | 0 | 0 | 0 | 114.5 | L107 E108 I112 W113 N114 Y293 | L107-F110 PolarHBondContact O-N 3.48Å; E108-F110 PolarHBondContact O-N 2.95Å; E108-F110 VanDerWaalsContact O-N 3.12Å; F110-I112 PolarHBondContact O-N 2.78Å; F110-W113 HydrophobicContact CB-CB 4.49Å; F110-W113 HydrophobicContact CD1-CB 4.25Å; F110-W113 PolarHBondContact O-N 2.99Å; F110-N114 PolarHBondContact O-N 2.79Å; F110-Y293 HydrophobicContact CE1-CD1 4.2Å; F110-Y293 AromaticContact CE1-CE1 3.59Å; F110-Y293 HydrophobicContact CE1-CE1 3.59Å; F110-Y293 HydrophobicContact CE2-CE1 4.4Å; F110-Y293 HydrophobicContact CZ-CD1 4.27Å; F110-Y293 AromaticContact CZ-CE1 3.29Å; F110-Y293 HydrophobicContact CZ-CE1 3.29Å; F110-Y293 AromaticContact CZ-CZ 3.78Å |
| 111 | S | 45.6 | Very low | 43.9 | Very low | 84 Ų | 84 | 108.8 Ų | 108.8 | 59% | 0.587 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -44.1 | -40.6 | 175.7 | 171.5 | 0 | 0 | 0 | 0 | 113.9 | E108 F115 | E108-S111 PolarHBondContact O-N 3.24Å; S111-F115 WeakPolarHBondContact O-CB 3.36Å; S111-F115 PolarHBondContact O-N 2.9Å |
| 112 | I | 45.3 | Very low | 43.9 | Very low | 127 Ų | 127 | 105.3 Ų | 105.3 | 65% | 0.651 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68.3 | -38.3 | 179.6 | -59.3 | 170.7 | 0 | 0 | 0 | 111.8 | F110 F115 F116 | F110-I112 PolarHBondContact O-N 2.78Å; I112-F115 WeakPolarHBondContact O-CB 3.2Å; I112-F115 PolarHBondContact O-N 3.12Å; I112-F116 HydrophobicContact CG2-CD2 3.88Å; I112-F116 HydrophobicContact CG2-CE2 3.93Å; I112-F116 VanDerWaalsContact O-CD2 3.29Å; I112-F116 WeakPolarHBondContact O-CD2 3.33Å; I112-F116 PolarHBondContact O-N 3.04Å |
| 113 | W | 46.8 | Very low | 43.5 | Very low | 92 Ų | 92 | 107.4 Ų | 107.4 | 35% | 0.348 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -78.5 | -33.5 | -179.7 | -169.5 | -109.7 | 0 | 0 | 0 | 112.5 | F110 F115 F116 S117 | F110-W113 HydrophobicContact CB-CB 4.49Å; F110-W113 HydrophobicContact CD1-CB 4.25Å; F110-W113 PolarHBondContact O-N 2.99Å; W113-F115 VanDerWaalsContact C-N 3.25Å; W113-F115 PolarHBondContact O-N 3.42Å; W113-F116 PolarHBondContact O-N 2.89Å; W113-S117 WeakPolarHBondContact O-CB 3.45Å; W113-S117 PolarHBondContact O-N 3.12Å; W113-S117 PolarHBondContact O-OG 2.88Å |
| 114 | N | 51.2 | Low | 43.3 | Very low | 88 Ų | 88 | 109 Ų | 109 | 47% | 0.471 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.6 | -37.6 | 169 | -81.9 | -22.9 | 0 | 0 | 0 | 111.3 | F110 S117 S118 | F110-N114 PolarHBondContact O-N 2.79Å; N114-S117 WeakPolarHBondContact CA-OG 3.39Å; N114-S117 PolarHBondContact O-OG 3.32Å; N114-S117 VanDerWaalsContact O-OG 3.11Å; N114-S118 WeakPolarHBondContact O-CB 3.3Å; N114-S118 PolarHBondContact O-N 3.17Å; N114-S118 VanDerWaalsContact O-N 3.12Å |
| 115 | F | 44.3 | Very low | 43.4 | Very low | 66 Ų | 66 | 112.2 Ų | 112.2 | 29% | 0.289 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.2 | -59.8 | 171.2 | -177.6 | -100.6 | 0 | 0 | 0 | 111 | S111 I112 W113 S117 S118 F119 L229 | S111-F115 WeakPolarHBondContact O-CB 3.36Å; S111-F115 PolarHBondContact O-N 2.9Å; I112-F115 WeakPolarHBondContact O-CB 3.2Å; I112-F115 PolarHBondContact O-N 3.12Å; W113-F115 VanDerWaalsContact C-N 3.25Å; W113-F115 PolarHBondContact O-N 3.42Å; F115-S117 PolarHBondContact O-N 3.44Å; F115-S118 WeakPolarHBondContact O-CB 3.33Å; F115-S118 PolarHBondContact O-N 2.95Å; F115-S118 VanDerWaalsContact O-N 3.1Å; F115-S118 PolarHBondContact O-OG 3.25Å; F115-F119 HydrophobicContact CD1-CD2 4.46Å; F115-F119 AromaticContact CD1-CE2 3.67Å; F115-F119 HydrophobicContact CD1-CE2 3.67Å; F115-F119 HydrophobicContact CD1-CZ 4.39Å; F115-F119 HydrophobicContact CD2-CE2 4.05Å; F115-F119 HydrophobicContact CE1-CD2 4.32Å; F115-F119 AromaticContact CE1-CE2 3.25Å; F115-F119 HydrophobicContact CE1-CE2 3.25Å; F115-F119 AromaticContact CE1-CZ 3.53Å; F115-F119 HydrophobicContact CE1-CZ 3.53Å; F115-F119 AromaticContact CE2-CE2 3.67Å; F115-F119 HydrophobicContact CE2-CE2 3.67Å; F115-F119 AromaticContact CE2-CZ 3.98Å; F115-F119 HydrophobicContact CE2-CZ 3.98Å; F115-F119 HydrophobicContact CG-CE2 4.04Å; F115-F119 AromaticContact CZ-CE2 3.22Å; F115-F119 HydrophobicContact CZ-CE2 3.22Å; F115-F119 AromaticContact CZ-CZ 3.26Å; F115-F119 HydrophobicContact CZ-CZ 3.26Å; F115-F119 WeakPolarHBondContact O-CD2 3.45Å; F115-L229 HydrophobicContact CE1-CD1 4.04Å; F115-L229 HydrophobicContact CE1-CD2 3.8Å; F115-L229 HydrophobicContact CE1-CG 4.34Å; F115-L229 HydrophobicContact CE2-CB 4.44Å; F115-L229 HydrophobicContact CE2-CD1 4.29Å; F115-L229 HydrophobicContact CZ-CB 3.73Å; F115-L229 HydrophobicContact CZ-CD1 3.61Å; F115-L229 HydrophobicContact CZ-CD2 3.75Å; F115-L229 HydrophobicContact CZ-CG 3.86Å |
| 116 | F | 43.1 | Very low | 43.9 | Very low | 119 Ų | 119 | 105.6 Ų | 105.6 | 52% | 0.522 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.1 | -39.2 | 178.8 | -86.4 | -80.4 | 0 | 0 | 0 | 114.4 | I112 W113 S118 F119 L120 | I112-F116 HydrophobicContact CG2-CD2 3.88Å; I112-F116 HydrophobicContact CG2-CE2 3.93Å; I112-F116 VanDerWaalsContact O-CD2 3.29Å; I112-F116 WeakPolarHBondContact O-CD2 3.33Å; I112-F116 PolarHBondContact O-N 3.04Å; W113-F116 PolarHBondContact O-N 2.89Å; F116-S118 PolarHBondContact O-N 2.89Å; F116-F119 WeakPolarHBondContact O-CB 3.43Å; F116-F119 PolarHBondContact O-N 3.17Å; F116-L120 PolarHBondContact O-N 2.92Å |
| 117 | S | 46.9 | Very low | 44.8 | Very low | 45 Ų | 45 | 100.8 Ų | 100.8 | 32% | 0.315 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.7 | -27.4 | 177.9 | 66.6 | 0 | 0 | 0 | 0 | 112.3 | W113 N114 F115 F119 L120 K121 | W113-S117 WeakPolarHBondContact O-CB 3.45Å; W113-S117 PolarHBondContact O-N 3.12Å; W113-S117 PolarHBondContact O-OG 2.88Å; N114-S117 WeakPolarHBondContact CA-OG 3.39Å; N114-S117 PolarHBondContact O-OG 3.32Å; N114-S117 VanDerWaalsContact O-OG 3.11Å; F115-S117 PolarHBondContact O-N 3.44Å; S117-F119 VanDerWaalsContact C-N 3.28Å; S117-F119 PolarHBondContact O-N 3.48Å; S117-L120 PolarHBondContact O-N 3.38Å; S117-K121 WeakPolarHBondContact O-CB 3.47Å; S117-K121 PolarHBondContact O-N 2.94Å |
| 118 | S | 48.7 | Very low | 45.7 | Very low | 46 Ų | 46 | 98.8 Ų | 98.8 | 32% | 0.322 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.1 | -26.6 | 170.9 | 83.2 | 0 | 0 | 0 | 0 | 113.1 | N114 F115 F116 Q233 | N114-S118 WeakPolarHBondContact O-CB 3.3Å; N114-S118 PolarHBondContact O-N 3.17Å; N114-S118 VanDerWaalsContact O-N 3.12Å; F115-S118 WeakPolarHBondContact O-CB 3.33Å; F115-S118 PolarHBondContact O-N 2.95Å; F115-S118 VanDerWaalsContact O-N 3.1Å; F115-S118 PolarHBondContact O-OG 3.25Å; F116-S118 PolarHBondContact O-N 2.89Å; S118-Q233 PolarHBondContact OG-NE2 2.82Å |
| 119 | F | 45.1 | Very low | 46.9 | Very low | 29 Ų | 29 | 92.7 Ų | 92.7 | 13% | 0.127 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -71.6 | -34.5 | 174.1 | -72 | -110.3 | 0 | 0 | 0 | 111.6 | F115 F116 S117 I232 Q233 F236 | F115-F119 HydrophobicContact CD1-CD2 4.46Å; F115-F119 AromaticContact CD1-CE2 3.67Å; F115-F119 HydrophobicContact CD1-CE2 3.67Å; F115-F119 HydrophobicContact CD1-CZ 4.39Å; F115-F119 HydrophobicContact CD2-CE2 4.05Å; F115-F119 HydrophobicContact CE1-CD2 4.32Å; F115-F119 AromaticContact CE1-CE2 3.25Å; F115-F119 HydrophobicContact CE1-CE2 3.25Å; F115-F119 AromaticContact CE1-CZ 3.53Å; F115-F119 HydrophobicContact CE1-CZ 3.53Å; F115-F119 AromaticContact CE2-CE2 3.67Å; F115-F119 HydrophobicContact CE2-CE2 3.67Å; F115-F119 AromaticContact CE2-CZ 3.98Å; F115-F119 HydrophobicContact CE2-CZ 3.98Å; F115-F119 HydrophobicContact CG-CE2 4.04Å; F115-F119 AromaticContact CZ-CE2 3.22Å; F115-F119 HydrophobicContact CZ-CE2 3.22Å; F115-F119 AromaticContact CZ-CZ 3.26Å; F115-F119 HydrophobicContact CZ-CZ 3.26Å; F115-F119 WeakPolarHBondContact O-CD2 3.45Å; F116-F119 WeakPolarHBondContact O-CB 3.43Å; F116-F119 PolarHBondContact O-N 3.17Å; S117-F119 VanDerWaalsContact C-N 3.28Å; S117-F119 PolarHBondContact O-N 3.48Å; F119-I232 HydrophobicContact CE1-CB 4.38Å; F119-I232 HydrophobicContact CE1-CG2 3.97Å; F119-Q233 VanDerWaalsContact CD1-CA 3.47Å; F119-Q233 HydrophobicContact CD1-CB 3.78Å; F119-Q233 HydrophobicContact CD1-CG 3.77Å; F119-Q233 HydrophobicContact CD2-CG 4.32Å; F119-Q233 HydrophobicContact CE1-CB 3.27Å; F119-Q233 HydrophobicContact CE1-CG 3.7Å; F119-Q233 VanDerWaalsContact CE1-N 3.26Å; F119-Q233 HydrophobicContact CE2-CB 4.38Å; F119-Q233 HydrophobicContact CE2-CG 4.19Å; F119-Q233 HydrophobicContact CG-CG 4.08Å; F119-Q233 HydrophobicContact CZ-CB 3.57Å; F119-Q233 HydrophobicContact CZ-CG 3.87Å; F119-F236 HydrophobicContact CD1-CB 4.42Å; F119-F236 HydrophobicContact CD1-CD2 4.17Å |
| 120 | L | 41.3 | Very low | 48 | Very low | 129 Ų | 129 | 87.5 Ų | 87.5 | 68% | 0.675 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -91.4 | -0.3 | 179.6 | -71.3 | 169.8 | 0 | 0 | 0 | 113.4 | F116 S117 E122 | F116-L120 PolarHBondContact O-N 2.92Å; S117-L120 PolarHBondContact O-N 3.38Å; L120-E122 PolarHBondContact O-N 2.74Å |
| 121 | K | 41.9 | Very low | 49 | Very low | 164 Ų | 164 | 84.4 Ų | 84.4 | 71% | 0.713 | 43% | 0.426 | S | S | * | . | trans | -80.6 | 56.2 | 177.3 | -156.4 | 170.2 | -174.9 | 179.8 | 0 | 110 | S117 K123 | S117-K121 WeakPolarHBondContact O-CB 3.47Å; S117-K121 PolarHBondContact O-N 2.94Å; K121-K123 PolarHBondContact O-N 3.29Å | ||
| 122 | E | 42.8 | Very low | 49.6 | Very low | 96 Ų | 96 | 82 Ų | 82 | 45% | 0.449 | 42% | 0.415 | S | S | . | . | trans | -70.9 | 100.2 | 176.2 | -160 | 167.3 | -160 | 0 | 0 | 108.6 | L120 L124 | L120-E122 PolarHBondContact O-N 2.74Å; E122-L124 PolarHBondContact O-N 3.41Å; E122-L124 VanDerWaalsContact O-N 3.12Å | ||
| 123 | K | 37.7 | Very low | 50.2 | Low | 187 Ų | 187 | 76.4 Ų | 76.4 | 81% | 0.813 | 39% | 0.386 | S | S | * | . | trans | 31.8 | 74.2 | 141.8 | -154 | -170.6 | -172.6 | -171.8 | 0 | 115.1 | K121 | K121-K123 PolarHBondContact O-N 3.29Š| ||
| 124 | L | 40.9 | Very low | 50.5 | Low | 112 Ų | 112 | 78.6 Ų | 78.6 | 59% | 0.586 | 40% | 0.395 | S | S | * | . | trans | -97.4 | 134.3 | 155.3 | -74.4 | 136.5 | 0 | 0 | 0 | 108.1 | E122 D126 Y128 | E122-L124 PolarHBondContact O-N 3.41Å; E122-L124 VanDerWaalsContact O-N 3.12Å; L124-D126 PolarHBondContact O-N 2.97Å; L124-Y128 HydrophobicContact CB-CD2 4.02Å; L124-Y128 HydrophobicContact CB-CE2 3.53Å; L124-Y128 HydrophobicContact CD1-CD2 3.9Å; L124-Y128 HydrophobicContact CD1-CE2 3.6Å; L124-Y128 HydrophobicContact CD2-CE2 3.99Å; L124-Y128 HydrophobicContact CG-CD2 4.49Å; L124-Y128 HydrophobicContact CG-CE2 3.89Å | ||
| 125 | N | 42.3 | Very low | 50.9 | Low | 159 Ų | 159 | 75.4 Ų | 75.4 | 85% | 0.85 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -62 | -8.2 | 174 | -63.3 | -31.8 | 0 | 0 | 0 | 112.4 | ||
| 126 | D | 49.3 | Very low | 51.6 | Low | 39 Ų | 39 | 77.2 Ų | 77.2 | 21% | 0.209 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -99.6 | 137 | 170.2 | -39.6 | -55.9 | 0 | 0 | 0 | 110.7 | R86 L124 Y128 | R86-D126 HydrophobicContact CG-CB 4.34Å; L124-D126 PolarHBondContact O-N 2.97Å; D126-Y128 HydrophobicContact CB-CD2 4.18Å; D126-Y128 HydrophobicContact CB-CE2 3.53Å; D126-Y128 VanDerWaalsContact O-CD2 3.23Å; D126-Y128 WeakPolarHBondContact O-CD2 3.48Å; D126-Y128 PolarHBondContact O-N 3.37Å; D126-Y128 PolarHBondContact OD2-OH 3.5Å |
| 127 | T | 63.1 | Low | 52.8 | Low | 58 Ų | 58 | 77.5 Ų | 77.5 | 36% | 0.356 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 106.3 | 170.8 | 18 | 0 | 0 | 0 | 0 | 108.5 | V87 V95 | V87-T127 PolarHBondContact N-O 3.46Å; V87-T127 PolarHBondContact O-N 2.87Å; V95-T127 HydrophobicContact CG2-CG2 4.32Å |
| 128 | Y | 62.9 | Low | 54 | Low | 41 Ų | 41 | 76 Ų | 76 | 16% | 0.161 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 121.8 | 170.3 | -62.7 | -92.4 | 0 | 0 | 0 | 109.2 | R86 L124 D126 | R86-Y128 HydrophobicContact CB-CD1 4.4Å; R86-Y128 HydrophobicContact CB-CE1 4.24Å; R86-Y128 HydrophobicContact CG-CE1 4.07Å; R86-Y128 VanDerWaalsContact NE-CE1 3.27Å; R86-Y128 PolarHBondContact NE-OH 2.93Å; R86-Y128 PolarHBondContact NH2-OH 3.43Å; L124-Y128 HydrophobicContact CB-CD2 4.02Å; L124-Y128 HydrophobicContact CB-CE2 3.53Å; L124-Y128 HydrophobicContact CD1-CD2 3.9Å; L124-Y128 HydrophobicContact CD1-CE2 3.6Å; L124-Y128 HydrophobicContact CD2-CE2 3.99Å; L124-Y128 HydrophobicContact CG-CD2 4.49Å; L124-Y128 HydrophobicContact CG-CE2 3.89Å; D126-Y128 HydrophobicContact CB-CD2 4.18Å; D126-Y128 HydrophobicContact CB-CE2 3.53Å; D126-Y128 VanDerWaalsContact O-CD2 3.23Å; D126-Y128 WeakPolarHBondContact O-CD2 3.48Å; D126-Y128 PolarHBondContact O-N 3.37Å; D126-Y128 PolarHBondContact OD2-OH 3.5Å |
| 129 | V | 66 | Low | 55.2 | Low | 22 Ų | 22 | 75 Ų | 75 | 13% | 0.133 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 123.7 | 167.3 | -171.9 | 0 | 0 | 0 | 0 | 108.8 | I85 V95 L140 | I85-V129 PolarHBondContact N-O 3.44Å; I85-V129 PolarHBondContact O-N 2.98Å; V95-V129 HydrophobicContact CG1-CG2 3.98Å; V129-L140 HydrophobicContact CB-CD2 3.98Å; V129-L140 HydrophobicContact CG1-CD2 3.79Å; V129-L140 HydrophobicContact CG2-CD2 3.83Å |
| 130 | N | 61.7 | Low | 56.6 | Low | 65 Ų | 65 | 73.8 Ų | 73.8 | 35% | 0.348 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 124.9 | 179.5 | -62.1 | -53.2 | 0 | 0 | 0 | 108.8 | R82 | R82-N130 PolarHBondContact NE-OD1 2.68Å; R82-N130 PolarHBondContact NH2-ND2 2.78Å |
| 131 | V | 63.1 | Low | 58.1 | Low | 5 Ų | 5 | 71.3 Ų | 71.3 | 3% | 0.03 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 124.2 | 175 | 174 | 0 | 0 | 0 | 0 | 108.1 | Y68 I83 I85 T138 | Y68-V131 HydrophobicContact CD1-CG1 4.25Å; Y68-V131 HydrophobicContact CE1-CG1 4.43Å; I83-V131 HydrophobicContact CB-CB 4.19Å; I83-V131 HydrophobicContact CG2-CB 4.07Å; I83-V131 HydrophobicContact CG2-CG1 4.46Å; I83-V131 PolarHBondContact O-N 2.92Å; I85-V131 HydrophobicContact CD1-CG2 3.54Å; I85-V131 HydrophobicContact CG1-CG2 3.78Å; V131-T138 HydrophobicContact CB-CG2 4.32Å; V131-T138 HydrophobicContact CG1-CG2 3.59Å; V131-T138 HydrophobicContact CG2-CG2 4.1Å; V131-T138 WeakPolarHBondContact CG2-OG1 3.48Å |
| 132 | G | 57.7 | Low | 59.6 | Low | 34 Ų | 34 | 63.6 Ų | 63.6 | 35% | 0.351 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 137.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y134 S135 | G132-Y134 PolarHBondContact O-N 3.36Å; G132-Y134 VanDerWaalsContact O-N 3.13Å; G132-S135 VanDerWaalsContact O-CB 3.3Å; G132-S135 WeakPolarHBondContact O-CB 3.44Å; G132-S135 PolarHBondContact O-N 2.7Å |
| 133 | L | 56.5 | Low | 60.9 | Low | 9 Ų | 9 | 61.7 Ų | 61.7 | 5% | 0.047 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -33.7 | -174.1 | -94.9 | 74.3 | 0 | 0 | 0 | 114.1 | N70 P74 T81 I83 I298 | N70-L133 PolarHBondContact ND2-O 3.3Å; P74-L133 HydrophobicContact CB-CD2 4.45Å; T81-L133 VanDerWaalsContact O-CD1 3.22Å; T81-L133 WeakPolarHBondContact O-CD1 3.28Å; I83-L133 HydrophobicContact CD1-CG 4.38Å; I83-L133 HydrophobicContact CG1-CD1 4.41Å; L133-I298 HydrophobicContact CD2-CD1 4.32Å |
| 134 | Y | 54.8 | Low | 62.4 | Low | 137 Ų | 137 | 55.1 Ų | 55.1 | 54% | 0.537 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | 4.6 | 178.4 | -90.1 | -92.9 | 0 | 0 | 0 | 114.2 | P74 G132 T136 I298 | P74-Y134 HydrophobicContact CG-CE2 3.8Å; G132-Y134 PolarHBondContact O-N 3.36Å; G132-Y134 VanDerWaalsContact O-N 3.13Å; Y134-T136 PolarHBondContact O-N 2.95Å; Y134-I298 HydrophobicContact CD2-CG1 4.1Å; Y134-I298 HydrophobicContact CD2-CG2 4.16Å; Y134-I298 HydrophobicContact CE2-CB 4.32Å; Y134-I298 HydrophobicContact CE2-CD1 4.05Å; Y134-I298 HydrophobicContact CE2-CG1 3.88Å; Y134-I298 HydrophobicContact CE2-CG2 3.56Å |
| 135 | S | 58.5 | Low | 63.7 | Low | 21 Ų | 21 | 54.7 Ų | 54.7 | 15% | 0.147 | 29% | 0.286 | C | S | . | . | trans | -72.6 | 103.9 | 175.2 | -68.7 | 0 | 0 | 0 | 0 | 110.4 | K103 G132 K137 | K103-S135 PolarHBondContact NZ-OG 2.95Å; G132-S135 VanDerWaalsContact O-CB 3.3Å; G132-S135 WeakPolarHBondContact O-CB 3.44Å; G132-S135 PolarHBondContact O-N 2.7Å; S135-K137 PolarHBondContact O-N 2.9Å | ||
| 136 | T | 59.7 | Low | 65 | Low | 104 Ų | 104 | 51 Ų | 51 | 64% | 0.638 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -55 | -39.7 | 179.5 | 51 | 0 | 0 | 0 | 0 | 112.5 | T69 N70 Y134 | T69-T136 WeakPolarHBondContact CA-O 3.19Å; N70-T136 PolarHBondContact N-O 3.04Å; Y134-T136 PolarHBondContact O-N 2.95Å |
| 137 | K | 68.5 | Low | 65.7 | Low | 126 Ų | 126 | 58.6 Ų | 58.6 | 55% | 0.548 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 135.4 | 172.4 | -54.1 | -167.1 | 175.4 | 176 | 0 | 110 | Y68 T69 S135 | Y68-K137 WeakPolarHBondContact O-CA 3.35Å; T69-K137 HydrophobicContact CG2-CD 4.23Å; T69-K137 HydrophobicContact CG2-CG 3.9Å; S135-K137 PolarHBondContact O-N 2.9Å |
| 138 | T | 71.8 | Confident | 65.7 | Low | 13 Ų | 13 | 61.3 Ų | 61.3 | 8% | 0.08 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 121.2 | 166.7 | 49.2 | 0 | 0 | 0 | 0 | 109.3 | C67 Y68 V131 | C67-T138 WeakPolarHBondContact CA-O 3.44Å; Y68-T138 PolarHBondContact N-O 2.73Å; Y68-T138 PolarHBondContact O-N 2.7Å; V131-T138 HydrophobicContact CB-CG2 4.32Å; V131-T138 HydrophobicContact CG1-CG2 3.59Å; V131-T138 HydrophobicContact CG2-CG2 4.1Å; V131-T138 WeakPolarHBondContact CG2-OG1 3.48Å |
| 139 | C | 74.1 | Confident | 66.1 | Low | 26 Ų | 26 | 59.4 Ų | 59.4 | 18% | 0.176 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 136.4 | 179.4 | -65.2 | 0 | 0 | 0 | 0 | 110.8 | F66 C67 V98 | F66-C139 CarbonylContact O-C 3.47Å; F66-C139 VanDerWaalsContact O-CA 3.29Å; F66-C139 WeakPolarHBondContact O-CA 3.22Å; C67-C139 HydrophobicContact CB-CB 4.25Å; C67-C139 WeakPolarHBondContact CB-SG 3.31Å; C67-C139 WeakPolarHBondContact SG-CB 2.91Å; C67-C139 CovalentContact SG-SG 2.05Å; C67-C139 PolarHBondContact SG-SG 2.89Å; V98-C139 HydrophobicContact CB-CB 4.46Å; V98-C139 PolarHBondContact N-O 2.88Å |
| 140 | L | 73.3 | Confident | 66.8 | Low | 3 Ų | 3 | 63.4 Ų | 63.4 | 2% | 0.016 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 131.1 | -177.2 | -66.8 | 167.4 | 0 | 0 | 0 | 107.8 | Q65 F66 I85 V95 Q97 V129 | Q65-L140 CarbonylContact C-O 3.6Å; Q65-L140 WeakPolarHBondContact CA-O 3.3Å; F66-L140 PolarHBondContact N-O 2.95Å; F66-L140 PolarHBondContact O-N 2.05Å; I85-L140 HydrophobicContact CB-CD1 3.9Å; I85-L140 HydrophobicContact CD1-CD1 3.4Å; I85-L140 VanDerWaalsContact CD1-CD1 3.4Å; I85-L140 HydrophobicContact CD1-CG 4.41Å; I85-L140 HydrophobicContact CG1-CD1 4.2Å; I85-L140 HydrophobicContact CG2-CD1 3.58Å; V95-L140 HydrophobicContact CG1-CD2 4.1Å; Q97-L140 HydrophobicContact CB-CD2 4.43Å; V129-L140 HydrophobicContact CB-CD2 3.98Å; V129-L140 HydrophobicContact CG1-CD2 3.79Å; V129-L140 HydrophobicContact CG2-CD2 3.83Å |
| 141 | K | 73.6 | Confident | 67.6 | Low | 77 Ų | 77 | 60.4 Ų | 60.4 | 34% | 0.335 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 121.7 | 169.1 | -172.2 | -173 | -174.9 | -161.6 | 0 | 108 | T96 V98 E143 | T96-K141 PolarHBondContact N-O 3.48Å; T96-K141 PolarHBondContact O-N 2.99Å; T96-K141 PolarHBondContact OG1-O 3.49Å; V98-K141 HydrophobicContact CG2-CB 3.75Å; K141-E143 HydrophobicContact CD-CG 4.24Å; K141-E143 VanDerWaalsContact CE-OE1 3.25Å; K141-E143 WeakPolarHBondContact CE-OE1 3.48Å; K141-E143 HydrophobicContact CG-CG 4.25Å; K141-E143 IonicContact NZ-OE1 2.69Å; K141-E143 PolarHBondContact NZ-OE1 3Å |
| 142 | V | 72.6 | Confident | 68.4 | Low | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.006 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 106.5 | 177.4 | -177 | 0 | 0 | 0 | 0 | 108 | S63 Q64 F66 I93 V95 Y151 | S63-V142 WeakPolarHBondContact CA-O 3.36Å; S63-V142 PolarHBondContact OG-O 3.25Å; S63-V142 VanDerWaalsContact OG-O 3.12Å; Q64-V142 PolarHBondContact O-N 3.46Å; Q64-V142 VanDerWaalsContact O-N 3.12Å; F66-V142 HydrophobicContact CD2-CG2 3.93Å; F66-V142 HydrophobicContact CE2-CB 4.36Å; F66-V142 HydrophobicContact CE2-CG2 4.04Å; I93-V142 HydrophobicContact CB-CG1 4.48Å; I93-V142 HydrophobicContact CD1-CG1 4.27Å; V95-V142 HydrophobicContact CG1-CG2 4.46Å; V95-V142 HydrophobicContact CG2-CG1 4.46Å; V95-V142 HydrophobicContact CG2-CG2 4.33Å; V142-Y151 HydrophobicContact CB-CE2 4.36Å; V142-Y151 HydrophobicContact CG1-CD2 4.26Å; V142-Y151 HydrophobicContact CG1-CE1 4.37Å; V142-Y151 HydrophobicContact CG1-CE2 4.12Å; V142-Y151 HydrophobicContact CG1-CG 4.45Å |
| 143 | E | 70.8 | Confident | 69.6 | Low | 57 Ų | 57 | 59.5 Ų | 59.5 | 27% | 0.266 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 130.2 | 176.8 | -65.3 | -179.3 | 166.6 | 0 | 0 | 110.4 | R94 K141 | R94-E143 HydrophobicContact CB-CB 4.25Å; R94-E143 PolarHBondContact N-O 2.93Å; R94-E143 PolarHBondContact O-N 3.12Å; K141-E143 HydrophobicContact CD-CG 4.24Å; K141-E143 VanDerWaalsContact CE-OE1 3.25Å; K141-E143 WeakPolarHBondContact CE-OE1 3.48Å; K141-E143 HydrophobicContact CG-CG 4.25Å; K141-E143 IonicContact NZ-OE1 2.69Å; K141-E143 PolarHBondContact NZ-OE1 3Å |
| 144 | I | 70.2 | Confident | 70.8 | Confident | 48 Ų | 48 | 60.8 Ų | 60.8 | 25% | 0.246 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 125.4 | 178.5 | -62.1 | 174.5 | 0 | 0 | 0 | 109.1 | R61 E146 T149 Y151 | R61-I144 VanDerWaalsContact O-CD1 3.28Å; R61-I144 WeakPolarHBondContact O-CD1 3.28Å; I144-E146 WeakPolarHBondContact CG2-O 3.46Å; I144-T149 HydrophobicContact CG2-CG2 3.93Å; I144-T149 WeakPolarHBondContact CG2-OG1 3.42Å; I144-Y151 HydrophobicContact CD1-CD1 4.48Å; I144-Y151 HydrophobicContact CD1-CE1 4.13Å; I144-Y151 HydrophobicContact CG1-CE1 4.36Å |
| 145 | I | 66.8 | Low | 72.2 | Confident | 103 Ų | 103 | 54.3 Ų | 54.3 | 53% | 0.528 | 27% | 0.269 | S | S | . | . | trans | -91.2 | -36.9 | 178.3 | -58 | 172.6 | 0 | 0 | 0 | 111.2 | R94 | R94-I145 HydrophobicContact CB-CD1 4.11Å; R94-I145 HydrophobicContact CB-CG1 4.34Å | ||
| 146 | E | 69.2 | Low | 73.2 | Confident | 81 Ų | 81 | 54.7 Ų | 54.7 | 38% | 0.379 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -106.3 | 145.4 | -177.9 | -74.3 | 177.1 | -175.4 | 0 | 0 | 112.8 | K91 I144 T149 | K91-E146 WeakPolarHBondContact CB-OE2 3.35Å; K91-E146 HydrophobicContact CD-CB 4.35Å; K91-E146 WeakPolarHBondContact CD-OE2 3.34Å; K91-E146 WeakPolarHBondContact CG-OE2 3.43Å; I144-E146 WeakPolarHBondContact CG2-O 3.46Å; E146-T149 HydrophobicContact CB-CG2 3.93Å; E146-T149 VanDerWaalsContact O-CG2 3.3Å; E146-T149 WeakPolarHBondContact O-CG2 3.09Å |
| 147 | K | 63.9 | Low | 74.2 | Confident | 200 Ų | 200 | 52.8 Ų | 52.8 | 87% | 0.87 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -71.6 | 141.7 | 176.6 | -63.2 | -179.6 | -178.3 | 178.9 | 0 | 110.5 | K91 | K91-K147 PolarHBondContact NZ-O 2.74Š|
| 148 | D | 64.3 | Low | 74.9 | Confident | 114 Ų | 114 | 53.3 Ų | 53.3 | 61% | 0.61 | 25% | 0.249 | S | C | * | . | S | Bend | trans | 61.4 | 53.6 | -176.6 | -163.6 | 43.2 | 0 | 0 | 0 | 114.2 | K91 | K91-D148 PolarHBondContact NZ-O 3.04Š|
| 149 | T | 71.1 | Confident | 75.4 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | trans | -95.4 | 137.7 | 165.6 | 68.1 | 0 | 0 | 0 | 0 | 110.3 | K91 I144 E146 | K91-T149 HydrophobicContact CB-CG2 3.34Å; K91-T149 HydrophobicContact CD-CG2 3.68Å; K91-T149 HydrophobicContact CG-CG2 4.17Å; I144-T149 HydrophobicContact CG2-CG2 3.93Å; I144-T149 WeakPolarHBondContact CG2-OG1 3.42Å; E146-T149 HydrophobicContact CB-CG2 3.93Å; E146-T149 VanDerWaalsContact O-CG2 3.3Å; E146-T149 WeakPolarHBondContact O-CG2 3.09Å | ||
| 150 | K | 79.9 | Confident | 75.7 | Confident | 106 Ų | 106 | 57.4 Ų | 57.4 | 46% | 0.461 | 26% | 0.264 | S | S | . | . | trans | -105.6 | 131.7 | 165.6 | -62 | -177 | -172.6 | 178.5 | 0 | 107.4 | R61 S90 | R61-K150 HydrophobicContact CG-CG 4.19Å; R61-K150 VanDerWaalsContact CZ-CE 3.41Å; S90-K150 PolarHBondContact N-O 2.66Å | ||
| 151 | Y | 78.8 | Confident | 76.2 | Confident | 3 Ų | 3 | 60.6 Ų | 60.6 | 1% | 0.012 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 148.7 | 172.9 | 69.8 | -88.9 | 0 | 0 | 0 | 110.7 | E59 K60 A62 F66 V87 N88 V142 I144 V153 | E59-Y151 WeakPolarHBondContact CA-O 3.14Å; K60-Y151 HydrophobicContact CB-CE1 4Å; K60-Y151 HydrophobicContact CB-CE2 4.06Å; K60-Y151 WeakPolarHBondContact CB-OH 3.14Å; K60-Y151 PolarHBondContact N-O 3.3Å; K60-Y151 WeakPolarHBondContact O-CD1 3.39Å; K60-Y151 PolarHBondContact O-N 2.98Å; A62-Y151 WeakPolarHBondContact O-CE1 3.45Å; A62-Y151 PolarHBondContact O-OH 2.95Å; F66-Y151 AromaticContact CE2-CE2 3.51Å; F66-Y151 HydrophobicContact CE2-CE2 3.51Å; F66-Y151 AromaticContact CE2-CZ 3.86Å; F66-Y151 WeakPolarHBondContact CE2-OH 3.47Å; F66-Y151 AromaticContact CZ-CE2 3.6Å; F66-Y151 HydrophobicContact CZ-CE2 3.6Å; F66-Y151 AromaticContact CZ-CZ 3.97Å; F66-Y151 WeakPolarHBondContact CZ-OH 3.43Å; V87-Y151 HydrophobicContact CG1-CD2 4.27Å; N88-Y151 CarbonylContact O-C 3.49Å; N88-Y151 WeakPolarHBondContact O-CA 3.29Å; V142-Y151 HydrophobicContact CB-CE2 4.36Å; V142-Y151 HydrophobicContact CG1-CD2 4.26Å; V142-Y151 HydrophobicContact CG1-CE1 4.37Å; V142-Y151 HydrophobicContact CG1-CE2 4.12Å; V142-Y151 HydrophobicContact CG1-CG 4.45Å; I144-Y151 HydrophobicContact CD1-CD1 4.48Å; I144-Y151 HydrophobicContact CD1-CE1 4.13Å; I144-Y151 HydrophobicContact CG1-CE1 4.36Å; Y151-V153 HydrophobicContact CD2-CG2 3.74Å; Y151-V153 HydrophobicContact CE2-CG2 3.73Å |
| 152 | S | 80.7 | Confident | 76.6 | Confident | 19 Ų | 19 | 63.6 Ų | 63.6 | 13% | 0.133 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 134 | 174.8 | 58.7 | 0 | 0 | 0 | 0 | 109.1 | C58 V87 N88 | C58-S152 WeakPolarHBondContact O-CA 3.29Å; V87-S152 WeakPolarHBondContact CA-O 3.29Å; N88-S152 PolarHBondContact N-O 2.85Å; N88-S152 PolarHBondContact O-N 3.1Å; N88-S152 PolarHBondContact O-OG 3.05Å |
| 153 | V | 82.1 | Confident | 77.1 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 127.7 | 175.8 | -172.6 | 0 | 0 | 0 | 0 | 108.4 | L52 C58 F66 I85 R86 V87 Y151 | L52-V153 HydrophobicContact CD1-CG1 3.64Å; L52-V153 HydrophobicContact CD2-CB 4.16Å; L52-V153 HydrophobicContact CD2-CG1 3.88Å; L52-V153 HydrophobicContact CG-CG1 4.44Å; C58-V153 PolarHBondContact N-O 2.82Å; C58-V153 PolarHBondContact O-N 3.04Å; F66-V153 HydrophobicContact CD2-CG2 4.26Å; F66-V153 HydrophobicContact CE1-CG2 4.37Å; F66-V153 HydrophobicContact CE2-CG2 3.97Å; F66-V153 HydrophobicContact CZ-CG2 4.02Å; I85-V153 HydrophobicContact CG2-CG1 3.57Å; R86-V153 WeakPolarHBondContact O-CA 3.43Å; V87-V153 HydrophobicContact CG1-CG2 4.25Å; V87-V153 HydrophobicContact CG2-CG1 4.33Å; V87-V153 HydrophobicContact CG2-CG2 4.29Å; Y151-V153 HydrophobicContact CD2-CG2 3.74Å; Y151-V153 HydrophobicContact CE2-CG2 3.73Å |
| 154 | I | 82.9 | Confident | 77.9 | Confident | 36 Ų | 36 | 65 Ų | 65 | 19% | 0.185 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 131.4 | 179.6 | -49.1 | 177.3 | 0 | 0 | 0 | 108.7 | V57 R86 I156 | V57-I154 HydrophobicContact CB-CD1 4.36Å; V57-I154 HydrophobicContact CB-CG1 4.18Å; V57-I154 HydrophobicContact CG1-CD1 4.02Å; V57-I154 HydrophobicContact CG1-CG1 3.91Å; V57-I154 HydrophobicContact CG2-CD1 3.65Å; V57-I154 HydrophobicContact CG2-CG1 3.86Å; R86-I154 PolarHBondContact N-O 2.85Å; R86-I154 PolarHBondContact O-N 3.09Å; I154-I156 HydrophobicContact CB-CG1 4.35Å; I154-I156 HydrophobicContact CG2-CD1 4.18Å; I154-I156 HydrophobicContact CG2-CG1 3.66Å |
| 155 | V | 82.4 | Confident | 78.8 | Confident | 2 Ų | 2 | 67.8 Ų | 67.8 | 1% | 0.012 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 118.2 | 170.6 | -172.1 | 0 | 0 | 0 | 0 | 108.7 | L52 S55 Y68 I83 I85 | L52-V155 HydrophobicContact CB-CG2 3.76Å; L52-V155 HydrophobicContact CD1-CG2 3.87Å; L52-V155 HydrophobicContact CG-CG2 4.36Å; S55-V155 PolarHBondContact N-O 3.4Å; Y68-V155 HydrophobicContact CD2-CB 4.48Å; Y68-V155 HydrophobicContact CD2-CG1 4.02Å; Y68-V155 HydrophobicContact CD2-CG2 4.05Å; Y68-V155 HydrophobicContact CE2-CG1 3.82Å; Y68-V155 HydrophobicContact CG-CG1 4.47Å; Y68-V155 HydrophobicContact CG-CG2 4.5Å; I83-V155 HydrophobicContact CG2-CG1 3.8Å; I85-V155 HydrophobicContact CG1-CG1 4.41Å; I85-V155 HydrophobicContact CG1-CG2 4.11Å |
| 156 | I | 81.3 | Confident | 79.8 | Confident | 29 Ų | 29 | 64.7 Ų | 64.7 | 15% | 0.149 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 130.5 | -178.3 | -44.4 | 176.4 | 0 | 0 | 0 | 109 | Q84 I154 R158 | Q84-I156 PolarHBondContact N-O 2.72Å; Q84-I156 PolarHBondContact O-N 3.49Å; I154-I156 HydrophobicContact CB-CG1 4.35Å; I154-I156 HydrophobicContact CG2-CD1 4.18Å; I154-I156 HydrophobicContact CG2-CG1 3.66Å; I156-R158 HydrophobicContact CG2-CG 3.75Å |
| 157 | R | 80.9 | Confident | 80.9 | Confident | 64 Ų | 64 | 61.9 Ų | 61.9 | 24% | 0.242 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 118.1 | 169 | -168.8 | 178.9 | -65 | -152.5 | -2.2 | 108.5 | E54 I83 | E54-R157 IonicContact OE1-CZ 4Å; E54-R157 IonicContact OE1-NE 2.78Å; E54-R157 IonicContact OE1-NH2 3.58Å; E54-R157 PolarHBondContact OE1-NH2 3.07Å; E54-R157 IonicContact OE2-NH2 3.98Å; I83-R157 HydrophobicContact CG1-CG 4.49Å |
| 158 | R | 82.2 | Confident | 82.2 | Confident | 136 Ų | 136 | 55.4 Ų | 55.4 | 51% | 0.513 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 151.8 | 177.7 | -71.7 | -169.5 | 175.1 | 158.5 | -0.7 | 111.5 | T81 R82 I156 D160 | T81-R158 CarbonylContact C-O 3.5Å; T81-R158 WeakPolarHBondContact CA-O 3.48Å; R82-R158 PolarHBondContact N-O 3.31Å; R82-R158 PolarHBondContact O-N 3.42Å; R82-R158 VanDerWaalsContact O-N 3.08Å; I156-R158 HydrophobicContact CG2-CG 3.75Å; R158-D160 PolarHBondContact O-N 3.04Å |
| 159 | F | 82.4 | Confident | 83.6 | Confident | 110 Ų | 110 | 54.2 Ų | 54.2 | 48% | 0.482 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 126.9 | 167.6 | -179.1 | -101.6 | 0 | 0 | 0 | 109.4 | W80 P161 F164 | W80-F159 HydrophobicContact CB-CD2 4.03Å; W80-F159 HydrophobicContact CB-CE2 3.61Å; W80-F159 HydrophobicContact CB-CZ 4.39Å; W80-F159 HydrophobicContact CE3-CE2 4.4Å; W80-F159 HydrophobicContact CG-CE2 4.37Å; F159-P161 HydrophobicContact CD1-CB 4.34Å; F159-P161 HydrophobicContact CE1-CB 4.02Å; F159-P161 WeakPolarHBondContact O-CD 3.32Å; F159-F164 HydrophobicContact CE1-CB 4.43Å; F159-F164 HydrophobicContact CZ-CB 3.76Å; F159-F164 HydrophobicContact CZ-CD2 4.4Å; F159-F164 AromaticContact CZ-CG 3.98Å; F159-F164 HydrophobicContact CZ-CG 3.98Å |
| 160 | D | 81.3 | Confident | 84.7 | Confident | 16 Ų | 16 | 54.1 Ų | 54.1 | 9% | 0.086 | 26% | 0.258 | C | S | . | . | trans | -98.2 | 97.7 | 176.1 | -167.8 | -22.6 | 0 | 0 | 0 | 109.2 | W80 R82 R158 K162 L163 F164 | W80-D160 PolarHBondContact O-N 3.46Å; R82-D160 HydrophobicContact CB-CB 4.1Å; R82-D160 VanDerWaalsContact CD-OD2 3.22Å; R82-D160 WeakPolarHBondContact CD-OD2 3.31Å; R82-D160 IonicContact CZ-OD2 3.92Å; R82-D160 IonicContact NE-OD2 3.58Å; R82-D160 IonicContact NH1-OD2 3.7Å; R82-D160 PolarHBondContact NH1-OD2 3.19Å; R158-D160 PolarHBondContact O-N 3.04Å; D160-K162 PolarHBondContact O-N 3.49Å; D160-K162 VanDerWaalsContact O-N 3.12Å; D160-K162 VanDerWaalsContact OD1-CB 3.32Å; D160-K162 WeakPolarHBondContact OD1-CB 3.22Å; D160-K162 PolarHBondContact OD1-N 2.91Å; D160-K162 VanDerWaalsContact OD1-N 3.1Å; D160-L163 HydrophobicContact CB-CB 4.46Å; D160-L163 HydrophobicContact CB-CD1 4Å; D160-L163 HydrophobicContact CB-CG 4.21Å; D160-L163 PolarHBondContact O-N 2.94Å; D160-F164 PolarHBondContact O-N 3.16Å | ||
| 161 | P | 82.4 | Confident | 85.4 | Confident | 70 Ų | 70 | 51.6 Ų | 51.6 | 46% | 0.455 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.7 | -22.1 | -177.4 | 26 | -35 | 0 | 0 | 0 | 112.5 | F159 F164 L165 | F159-P161 HydrophobicContact CD1-CB 4.34Å; F159-P161 HydrophobicContact CE1-CB 4.02Å; F159-P161 WeakPolarHBondContact O-CD 3.32Å; P161-F164 PolarHBondContact O-N 2.89Å; P161-L165 VanDerWaalsContact O-CG 3.29Å; P161-L165 WeakPolarHBondContact O-CG 3.42Å; P161-L165 PolarHBondContact O-N 3.47Å |
| 162 | K | 82.3 | Confident | 86.1 | Confident | 139 Ų | 139 | 56.3 Ų | 56.3 | 60% | 0.604 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -68.2 | -43.1 | -179.8 | -58.1 | 179.4 | -179.7 | -177.8 | 0 | 110.9 | D160 F164 L165 V166 | D160-K162 PolarHBondContact O-N 3.49Å; D160-K162 VanDerWaalsContact O-N 3.12Å; D160-K162 VanDerWaalsContact OD1-CB 3.32Å; D160-K162 WeakPolarHBondContact OD1-CB 3.22Å; D160-K162 PolarHBondContact OD1-N 2.91Å; D160-K162 VanDerWaalsContact OD1-N 3.1Å; K162-F164 VanDerWaalsContact C-N 3.32Å; K162-F164 PolarHBondContact O-N 3.39Å; K162-L165 PolarHBondContact O-N 2.82Å; K162-V166 VanDerWaalsContact O-CG2 3.31Å; K162-V166 WeakPolarHBondContact O-CG2 3.25Å; K162-V166 PolarHBondContact O-N 3.37Å |
| 163 | L | 83.6 | Confident | 86.7 | Confident | 15 Ų | 15 | 56.3 Ų | 56.3 | 8% | 0.079 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 177.6 | -70 | 177.7 | 0 | 0 | 0 | 111.4 | D160 V166 F167 Q297 | D160-L163 HydrophobicContact CB-CB 4.46Å; D160-L163 HydrophobicContact CB-CD1 4Å; D160-L163 HydrophobicContact CB-CG 4.21Å; D160-L163 PolarHBondContact O-N 2.94Å; L163-V166 PolarHBondContact O-N 2.97Å; L163-F167 WeakPolarHBondContact O-CB 3.28Å; L163-F167 PolarHBondContact O-N 3.18Å; L163-Q297 HydrophobicContact CD1-CG 3.83Å |
| 164 | F | 87.6 | Confident | 87.3 | Confident | 73 Ų | 73 | 56.5 Ų | 56.5 | 32% | 0.32 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.3 | -45.7 | 174.2 | 177.8 | -101.8 | 0 | 0 | 0 | 112.3 | W80 F159 D160 P161 K162 V166 F167 L168 | W80-F164 HydrophobicContact CD2-CB 4.5Å; W80-F164 AromaticContact CD2-CD2 3.85Å; W80-F164 HydrophobicContact CD2-CD2 3.85Å; W80-F164 AromaticContact CE2-CD2 3.78Å; W80-F164 HydrophobicContact CE3-CD2 4.12Å; W80-F164 HydrophobicContact CG-CB 4.12Å; W80-F164 HydrophobicContact CG-CD2 4.34Å; W80-F164 HydrophobicContact CH2-CD2 4.27Å; W80-F164 HydrophobicContact CH2-CE2 4.3Å; W80-F164 HydrophobicContact CZ2-CD2 4.01Å; W80-F164 HydrophobicContact CZ2-CE2 4.33Å; W80-F164 HydrophobicContact CZ3-CD2 4.32Å; W80-F164 HydrophobicContact CZ3-CE2 4.48Å; F159-F164 HydrophobicContact CE1-CB 4.43Å; F159-F164 HydrophobicContact CZ-CB 3.76Å; F159-F164 HydrophobicContact CZ-CD2 4.4Å; F159-F164 AromaticContact CZ-CG 3.98Å; F159-F164 HydrophobicContact CZ-CG 3.98Å; D160-F164 PolarHBondContact O-N 3.16Å; P161-F164 PolarHBondContact O-N 2.89Å; K162-F164 VanDerWaalsContact C-N 3.32Å; K162-F164 PolarHBondContact O-N 3.39Å; F164-V166 PolarHBondContact O-N 3.24Å; F164-F167 PolarHBondContact O-N 2.9Å; F164-L168 WeakPolarHBondContact O-CB 3.47Å; F164-L168 PolarHBondContact O-N 3.5Å |
| 165 | L | 88.3 | Confident | 87.7 | Confident | 107 Ų | 107 | 59 Ų | 59 | 56% | 0.56 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -64.1 | -39.9 | 177.6 | -72 | 174.1 | 0 | 0 | 0 | 112.6 | P161 K162 F167 L168 L169 | P161-L165 VanDerWaalsContact O-CG 3.29Å; P161-L165 WeakPolarHBondContact O-CG 3.42Å; P161-L165 PolarHBondContact O-N 3.47Å; K162-L165 PolarHBondContact O-N 2.82Å; L165-F167 VanDerWaalsContact C-N 3.35Å; L165-L168 PolarHBondContact O-N 3.04Å; L165-L169 WeakPolarHBondContact O-CB 3.24Å; L165-L169 PolarHBondContact O-N 3.16Å |
| 166 | V | 89.1 | Confident | 88.1 | Confident | 37 Ų | 37 | 60.8 Ų | 60.8 | 22% | 0.224 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.2 | -43 | 175.3 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | K162 L163 F164 L169 G170 F291 | K162-V166 VanDerWaalsContact O-CG2 3.31Å; K162-V166 WeakPolarHBondContact O-CG2 3.25Å; K162-V166 PolarHBondContact O-N 3.37Å; L163-V166 PolarHBondContact O-N 2.97Å; F164-V166 PolarHBondContact O-N 3.24Å; V166-L169 PolarHBondContact O-N 3.35Å; V166-G170 PolarHBondContact O-N 3.45Å; V166-F291 HydrophobicContact CG1-CB 4.17Å; V166-F291 HydrophobicContact CG1-CG 4.48Å |
| 167 | F | 90.8 | Very high | 88.5 | Confident | 22 Ų | 22 | 59.4 Ų | 59.4 | 10% | 0.096 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62 | -46.5 | 175 | 176.1 | -99 | 0 | 0 | 0 | 112 | W80 L163 F164 L165 L169 G170 L171 M292 I296 I305 | W80-F167 AromaticContact CZ2-CD1 3.71Å; W80-F167 HydrophobicContact CZ2-CD1 3.71Å; W80-F167 AromaticContact CZ2-CE1 3.94Å; W80-F167 HydrophobicContact CZ2-CE1 3.94Å; W80-F167 HydrophobicContact CZ2-CG 4.29Å; L163-F167 WeakPolarHBondContact O-CB 3.28Å; L163-F167 PolarHBondContact O-N 3.18Å; F164-F167 PolarHBondContact O-N 2.9Å; L165-F167 VanDerWaalsContact C-N 3.35Å; F167-L169 VanDerWaalsContact C-N 3.33Å; F167-L169 PolarHBondContact O-N 3.43Å; F167-G170 PolarHBondContact O-N 2.93Å; F167-G170 VanDerWaalsContact O-N 3.15Å; F167-L171 HydrophobicContact CZ-CD1 4.49Å; F167-L171 PolarHBondContact O-N 3.43Å; F167-M292 HydrophobicContact CD2-CB 4.26Å; F167-M292 HydrophobicContact CD2-CG 4.26Å; F167-M292 HydrophobicContact CE2-CB 4.25Å; F167-M292 HydrophobicContact CE2-CE 4.08Å; F167-M292 HydrophobicContact CE2-CG 4.15Å; F167-M292 HydrophobicContact CZ-CE 4.48Å; F167-I296 HydrophobicContact CD2-CD1 3.72Å; F167-I296 HydrophobicContact CD2-CG1 3.9Å; F167-I296 HydrophobicContact CE2-CD1 3.57Å; F167-I296 HydrophobicContact CE2-CG1 4.26Å; F167-I305 HydrophobicContact CE2-CG2 3.95Å; F167-I305 HydrophobicContact CZ-CG2 3.93Å |
| 168 | L | 92.6 | Very high | 88.9 | Confident | 64 Ų | 64 | 59.2 Ų | 59.2 | 34% | 0.335 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.5 | -41.6 | 177.9 | -177.8 | 65 | 0 | 0 | 0 | 111.8 | F164 L165 G170 L171 M172 | F164-L168 WeakPolarHBondContact O-CB 3.47Å; F164-L168 PolarHBondContact O-N 3.5Å; L165-L168 PolarHBondContact O-N 3.04Å; L168-G170 VanDerWaalsContact C-N 3.34Å; L168-L171 WeakPolarHBondContact O-CB 3.28Å; L168-L171 PolarHBondContact O-N 2.96Å; L168-M172 HydrophobicContact CD1-CE 4.29Å; L168-M172 WeakPolarHBondContact O-CG 3.32Å; L168-M172 PolarHBondContact O-N 2.74Å |
| 169 | L | 93.1 | Very high | 89.3 | Confident | 89 Ų | 89 | 58.8 Ų | 58.8 | 47% | 0.466 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61 | -44.2 | 174 | -179.7 | 64.5 | 0 | 0 | 0 | 111.1 | L165 V166 F167 L171 M172 L173 F291 | L165-L169 WeakPolarHBondContact O-CB 3.24Å; L165-L169 PolarHBondContact O-N 3.16Å; V166-L169 PolarHBondContact O-N 3.35Å; F167-L169 VanDerWaalsContact C-N 3.33Å; F167-L169 PolarHBondContact O-N 3.43Å; L169-L171 VanDerWaalsContact C-N 3.33Å; L169-L171 PolarHBondContact O-N 2.81Å; L169-M172 PolarHBondContact O-N 3.17Å; L169-L173 HydrophobicContact CD1-CD1 4.45Å; L169-L173 HydrophobicContact CD1-CG 4.45Å; L169-L173 HydrophobicContact CG-CD1 4.2Å; L169-L173 WeakPolarHBondContact O-CG 3.44Å; L169-L173 PolarHBondContact O-N 3.13Å; L169-F291 HydrophobicContact CD2-CD2 3.97Å; L169-F291 HydrophobicContact CD2-CE2 3.82Å; L169-F291 HydrophobicContact CG-CD2 4.13Å; L169-F291 HydrophobicContact CG-CE2 4.35Å |
| 170 | G | 94.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.9 | -43 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V166 F167 L168 L173 F174 G288 | V166-G170 PolarHBondContact O-N 3.45Å; F167-G170 PolarHBondContact O-N 2.93Å; F167-G170 VanDerWaalsContact O-N 3.15Å; L168-G170 VanDerWaalsContact C-N 3.34Å; G170-L173 PolarHBondContact O-N 2.87Å; G170-F174 WeakPolarHBondContact O-CB 3.24Å; G170-F174 PolarHBondContact O-N 3.18Å; G170-G288 WeakPolarHBondContact CA-O 3.4Å; G170-G288 WeakPolarHBondContact O-CA 3.2Å |
| 171 | L | 93.7 | Very high | 90.1 | Very high | 53 Ų | 53 | 55.5 Ų | 55.5 | 28% | 0.277 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.3 | -49 | 176.1 | -163.7 | 77.5 | 0 | 0 | 0 | 111.3 | F167 L168 L169 L173 F174 F175 M292 | F167-L171 HydrophobicContact CZ-CD1 4.49Å; F167-L171 PolarHBondContact O-N 3.43Å; L168-L171 WeakPolarHBondContact O-CB 3.28Å; L168-L171 PolarHBondContact O-N 2.96Å; L169-L171 VanDerWaalsContact C-N 3.33Å; L169-L171 PolarHBondContact O-N 2.81Å; L171-L173 PolarHBondContact O-N 2.89Å; L171-F174 PolarHBondContact O-N 3.19Å; L171-F175 HydrophobicContact CD1-CD2 3.97Å; L171-F175 HydrophobicContact CD1-CE2 3.59Å; L171-F175 HydrophobicContact CG-CD2 3.95Å; L171-F175 HydrophobicContact CG-CE2 4.07Å; L171-F175 WeakPolarHBondContact O-CD2 3.29Å; L171-F175 PolarHBondContact O-N 3.47Å; L171-M292 HydrophobicContact CD1-CE 4.21Å; L171-M292 HydrophobicContact CD1-SD 4.39Å |
| 172 | M | 93.4 | Very high | 90.4 | Very high | 102 Ų | 102 | 61 Ų | 61 | 50% | 0.502 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 178.8 | -71.5 | -65 | 177.2 | 0 | 0 | 111.9 | L168 L169 F174 C176 | L168-M172 HydrophobicContact CD1-CE 4.29Å; L168-M172 WeakPolarHBondContact O-CG 3.32Å; L168-M172 PolarHBondContact O-N 2.74Å; L169-M172 PolarHBondContact O-N 3.17Å; M172-F174 VanDerWaalsContact C-N 3.35Å; M172-F174 PolarHBondContact O-N 3.29Å; M172-C176 WeakPolarHBondContact O-CA 3.46Å; M172-C176 WeakPolarHBondContact O-CB 3.33Å; M172-C176 PolarHBondContact O-N 2.89Å |
| 173 | L | 93.9 | Very high | 90.9 | Very high | 19 Ų | 19 | 56.3 Ų | 56.3 | 10% | 0.099 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.4 | -38.5 | 177.4 | -72.1 | 173.8 | 0 | 0 | 0 | 112.6 | L169 G170 L171 G177 L180 L284 M287 F291 | L169-L173 HydrophobicContact CD1-CD1 4.45Å; L169-L173 HydrophobicContact CD1-CG 4.45Å; L169-L173 HydrophobicContact CG-CD1 4.2Å; L169-L173 WeakPolarHBondContact O-CG 3.44Å; L169-L173 PolarHBondContact O-N 3.13Å; G170-L173 PolarHBondContact O-N 2.87Å; L171-L173 PolarHBondContact O-N 2.89Å; L173-G177 WeakPolarHBondContact O-CA 3.36Å; L173-G177 PolarHBondContact O-N 2.83Å; L173-L180 HydrophobicContact CD2-CD2 4.09Å; L173-L284 HydrophobicContact CD2-CD2 4.17Å; L173-M287 HydrophobicContact CD1-CG 4.49Å; L173-M287 HydrophobicContact CD1-SD 4.47Å; L173-F291 HydrophobicContact CD1-CD2 3.8Å; L173-F291 HydrophobicContact CD1-CE2 3.89Å |
| 174 | F | 94.3 | Very high | 91.2 | Very high | 4 Ų | 4 | 61.7 Ų | 61.7 | 2% | 0.018 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -70.8 | -46.9 | -178.9 | -177.9 | -99.2 | 0 | 0 | 0 | 112.6 | G170 L171 M172 Q285 L289 M292 A309 L310 K313 | G170-F174 WeakPolarHBondContact O-CB 3.24Å; G170-F174 PolarHBondContact O-N 3.18Å; L171-F174 PolarHBondContact O-N 3.19Å; M172-F174 VanDerWaalsContact C-N 3.35Å; M172-F174 PolarHBondContact O-N 3.29Å; F174-Q285 HydrophobicContact CD2-CB 4.08Å; F174-Q285 HydrophobicContact CD2-CG 4.36Å; F174-Q285 HydrophobicContact CE2-CB 4.41Å; F174-L289 HydrophobicContact CD2-CD1 4.47Å; F174-L289 HydrophobicContact CD2-CD2 3.69Å; F174-L289 HydrophobicContact CD2-CG 3.8Å; F174-L289 HydrophobicContact CE2-CD1 4.19Å; F174-L289 HydrophobicContact CE2-CD2 3.73Å; F174-L289 HydrophobicContact CE2-CG 3.96Å; F174-L289 HydrophobicContact CG-CD2 4.37Å; F174-L289 HydrophobicContact CZ-CD2 4.45Å; F174-M292 HydrophobicContact CB-SD 4.42Å; F174-A309 HydrophobicContact CD1-CB 4.19Å; F174-A309 HydrophobicContact CE1-CB 3.91Å; F174-L310 HydrophobicContact CE2-CD2 4.09Å; F174-L310 HydrophobicContact CZ-CD2 3.88Å; F174-L310 HydrophobicContact CZ-CG 4.42Å; F174-K313 HydrophobicContact CE1-CB 4.09Å; F174-K313 HydrophobicContact CE1-CD 3.9Å; F174-K313 HydrophobicContact CZ-CB 4.34Å; F174-K313 HydrophobicContact CZ-CD 3.95Å; F174-K313 PolarHBondContact O-NZ 3.3Å |
| 175 | F | 91.7 | Very high | 91.3 | Very high | 89 Ų | 89 | 64.7 Ų | 64.7 | 39% | 0.39 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -79.1 | -45.3 | -179.2 | -75.7 | -74.4 | 0 | 0 | 0 | 112.5 | L171 G177 A309 T312 | L171-F175 HydrophobicContact CD1-CD2 3.97Å; L171-F175 HydrophobicContact CD1-CE2 3.59Å; L171-F175 HydrophobicContact CG-CD2 3.95Å; L171-F175 HydrophobicContact CG-CE2 4.07Å; L171-F175 WeakPolarHBondContact O-CD2 3.29Å; L171-F175 PolarHBondContact O-N 3.47Å; F175-G177 VanDerWaalsContact C-N 3.3Å; F175-G177 PolarHBondContact O-N 3.49Å; F175-A309 HydrophobicContact CE2-CB 4.49Å; F175-A309 HydrophobicContact CZ-CB 4.31Å; F175-T312 WeakPolarHBondContact CZ-OG1 3.23Å |
| 176 | C | 91.4 | Very high | 91.5 | Very high | 39 Ų | 39 | 61.6 Ų | 61.6 | 26% | 0.264 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -87.8 | 6.4 | -178.7 | -54.8 | 0 | 0 | 0 | 0 | 113.3 | M172 D178 L179 L180 | M172-C176 WeakPolarHBondContact O-CA 3.46Å; M172-C176 WeakPolarHBondContact O-CB 3.33Å; M172-C176 PolarHBondContact O-N 2.89Å; C176-D178 VanDerWaalsContact C-N 3.26Å; C176-D178 PolarHBondContact O-N 3.41Å; C176-L179 PolarHBondContact O-N 3.37Å; C176-L180 HydrophobicContact CB-CD1 3.99Å; C176-L180 WeakPolarHBondContact O-CB 3.47Å; C176-L180 PolarHBondContact O-N 2.95Å |
| 177 | G | 89.4 | Confident | 91.6 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -55.1 | -38.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L173 F175 S181 | L173-G177 WeakPolarHBondContact O-CA 3.36Å; L173-G177 PolarHBondContact O-N 2.83Å; F175-G177 VanDerWaalsContact C-N 3.3Å; F175-G177 PolarHBondContact O-N 3.49Å; G177-S181 VanDerWaalsContact O-CB 3.31Å; G177-S181 WeakPolarHBondContact O-CB 3.4Å; G177-S181 PolarHBondContact O-N 2.84Å; G177-S181 PolarHBondContact O-OG 3.45Å |
| 178 | D | 89 | Confident | 91.7 | Very high | 59 Ų | 59 | 63.6 Ų | 63.6 | 32% | 0.316 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -69.7 | -35.5 | 177.3 | -61.9 | -82.2 | 0 | 0 | 0 | 113 | C176 S181 R182 T281 Q285 K313 | C176-D178 VanDerWaalsContact C-N 3.26Å; C176-D178 PolarHBondContact O-N 3.41Å; D178-S181 PolarHBondContact O-OG 2.89Å; D178-R182 WeakPolarHBondContact O-CG 3.13Å; D178-T281 WeakPolarHBondContact OD1-CG2 3.21Å; D178-Q285 PolarHBondContact OD2-NE2 2.97Å; D178-K313 WeakPolarHBondContact OD2-CE 3.36Å; D178-K313 IonicContact OD2-NZ 3.73Å; D178-K313 PolarHBondContact OD2-NZ 3.32Å |
| 179 | L | 90.8 | Very high | 91.7 | Very high | 127 Ų | 127 | 63.4 Ų | 63.4 | 67% | 0.665 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -75.1 | -41 | 177.3 | -65.3 | 171.3 | 0 | 0 | 0 | 110.8 | C176 S183 | C176-L179 PolarHBondContact O-N 3.37Å; L179-S183 WeakPolarHBondContact O-CB 3.46Å; L179-S183 PolarHBondContact O-N 2.97Å; L179-S183 VanDerWaalsContact O-N 3.16Å |
| 180 | L | 89.5 | Confident | 91.7 | Very high | 50 Ų | 50 | 61.7 Ų | 61.7 | 26% | 0.262 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.5 | -44 | 178.2 | -102.4 | 65.1 | 0 | 0 | 0 | 111.4 | L173 C176 R182 S183 F186 L284 | L173-L180 HydrophobicContact CD2-CD2 4.09Å; C176-L180 HydrophobicContact CB-CD1 3.99Å; C176-L180 WeakPolarHBondContact O-CB 3.47Å; C176-L180 PolarHBondContact O-N 2.95Å; L180-R182 PolarHBondContact O-N 3.41Å; L180-S183 WeakPolarHBondContact O-CB 3.3Å; L180-S183 PolarHBondContact O-N 3.21Å; L180-S183 VanDerWaalsContact O-N 3.1Å; L180-F186 HydrophobicContact CB-CD1 4.2Å; L180-F186 HydrophobicContact CB-CD2 4.26Å; L180-F186 HydrophobicContact CB-CE1 4.48Å; L180-F186 HydrophobicContact CB-CG 4.09Å; L180-F186 HydrophobicContact CD2-CD2 3.74Å; L180-F186 HydrophobicContact CD2-CE2 3.61Å; L180-F186 HydrophobicContact CD2-CG 4.42Å; L180-F186 HydrophobicContact CD2-CZ 4.19Å; L180-F186 HydrophobicContact CG-CB 4.5Å; L180-F186 HydrophobicContact CG-CD2 3.76Å; L180-F186 HydrophobicContact CG-CE2 4.12Å; L180-F186 HydrophobicContact CG-CG 4.01Å; L180-F186 VanDerWaalsContact O-CB 3.29Å; L180-F186 WeakPolarHBondContact O-CB 3.36Å; L180-F186 WeakPolarHBondContact O-CD1 3.13Å; L180-F186 WeakPolarHBondContact O-CG 3.36Å; L180-L284 HydrophobicContact CB-CD1 4.21Å |
| 181 | S | 90.3 | Very high | 91.6 | Very high | 8 Ų | 8 | 62.7 Ų | 62.7 | 6% | 0.056 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.3 | -28.7 | -177.6 | 65.4 | 0 | 0 | 0 | 0 | 113.4 | G177 D178 T281 | G177-S181 VanDerWaalsContact O-CB 3.31Å; G177-S181 WeakPolarHBondContact O-CB 3.4Å; G177-S181 PolarHBondContact O-N 2.84Å; G177-S181 PolarHBondContact O-OG 3.45Å; D178-S181 PolarHBondContact O-OG 2.89Å; S181-T281 WeakPolarHBondContact CB-OG1 3.42Å; S181-T281 PolarHBondContact OG-OG1 3.4Å |
| 182 | R | 90.1 | Very high | 91.6 | Very high | 184 Ų | 184 | 62.8 Ų | 62.8 | 69% | 0.694 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -89.7 | -13.3 | 176.4 | -64.2 | 178.2 | -176.6 | -147 | -0.6 | 113.5 | D178 L180 Q184 I277 | D178-R182 WeakPolarHBondContact O-CG 3.13Å; L180-R182 PolarHBondContact O-N 3.41Å; R182-Q184 PolarHBondContact O-N 2.84Å; R182-I277 HydrophobicContact CG-CG2 3.88Å |
| 183 | S | 91.3 | Very high | 91.6 | Very high | 42 Ų | 42 | 61 Ų | 61 | 29% | 0.294 | 31% | 0.314 | S | S | . | . | trans | -76 | 123 | -178.4 | 178.2 | 0 | 0 | 0 | 0 | 111.3 | L179 L180 I185 F186 Y187 | L179-S183 WeakPolarHBondContact O-CB 3.46Å; L179-S183 PolarHBondContact O-N 2.97Å; L179-S183 VanDerWaalsContact O-N 3.16Å; L180-S183 WeakPolarHBondContact O-CB 3.3Å; L180-S183 PolarHBondContact O-N 3.21Å; L180-S183 VanDerWaalsContact O-N 3.1Å; S183-I185 VanDerWaalsContact C-N 3.26Å; S183-I185 PolarHBondContact O-N 2.76Å; S183-I185 PolarHBondContact OG-N 3.46Å; S183-F186 PolarHBondContact O-N 3.11Å; S183-Y187 PolarHBondContact O-N 3.43Å | ||
| 184 | Q | 90.3 | Very high | 91.5 | Very high | 127 Ų | 127 | 64.4 Ų | 64.4 | 59% | 0.593 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -61.6 | -37 | 174.5 | -65.6 | 177.3 | -27.2 | 0 | 0 | 111.7 | R182 F186 Y187 Y188 | R182-Q184 PolarHBondContact O-N 2.84Å; Q184-F186 VanDerWaalsContact C-N 3.31Å; Q184-F186 PolarHBondContact O-N 3.37Å; Q184-Y187 PolarHBondContact O-N 3.35Å; Q184-Y188 HydrophobicContact CB-CE2 4.29Å; Q184-Y188 WeakPolarHBondContact O-CD2 3.46Å; Q184-Y188 PolarHBondContact O-N 2.62Å; Q184-Y188 VanDerWaalsContact O-N 3.08Å |
| 185 | I | 90.9 | Very high | 91.5 | Very high | 137 Ų | 137 | 65.1 Ų | 65.1 | 70% | 0.703 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -62.9 | -41.9 | 179.2 | -58.4 | 168 | 0 | 0 | 0 | 110.1 | S183 S189 | S183-I185 VanDerWaalsContact C-N 3.26Å; S183-I185 PolarHBondContact O-N 2.76Å; S183-I185 PolarHBondContact OG-N 3.46Å; I185-S189 WeakPolarHBondContact O-CB 3.45Å; I185-S189 PolarHBondContact O-N 3.12Å |
| 186 | F | 91.4 | Very high | 91.5 | Very high | 42 Ų | 42 | 62.6 Ų | 62.6 | 18% | 0.184 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.9 | -41 | 178.1 | -178.6 | -103.5 | 0 | 0 | 0 | 111.7 | L180 S183 Q184 T190 L280 L284 | L180-F186 HydrophobicContact CB-CD1 4.2Å; L180-F186 HydrophobicContact CB-CD2 4.26Å; L180-F186 HydrophobicContact CB-CE1 4.48Å; L180-F186 HydrophobicContact CB-CG 4.09Å; L180-F186 HydrophobicContact CD2-CD2 3.74Å; L180-F186 HydrophobicContact CD2-CE2 3.61Å; L180-F186 HydrophobicContact CD2-CG 4.42Å; L180-F186 HydrophobicContact CD2-CZ 4.19Å; L180-F186 HydrophobicContact CG-CB 4.5Å; L180-F186 HydrophobicContact CG-CD2 3.76Å; L180-F186 HydrophobicContact CG-CE2 4.12Å; L180-F186 HydrophobicContact CG-CG 4.01Å; L180-F186 VanDerWaalsContact O-CB 3.29Å; L180-F186 WeakPolarHBondContact O-CB 3.36Å; L180-F186 WeakPolarHBondContact O-CD1 3.13Å; L180-F186 WeakPolarHBondContact O-CG 3.36Å; S183-F186 PolarHBondContact O-N 3.11Å; Q184-F186 VanDerWaalsContact C-N 3.31Å; Q184-F186 PolarHBondContact O-N 3.37Å; F186-T190 WeakPolarHBondContact CE2-OG1 3.38Å; F186-T190 WeakPolarHBondContact CZ-OG1 3.34Å; F186-T190 VanDerWaalsContact O-CB 3.23Å; F186-T190 WeakPolarHBondContact O-CB 3.2Å; F186-T190 PolarHBondContact O-N 2.81Å; F186-T190 PolarHBondContact O-OG1 2.89Å; F186-L280 HydrophobicContact CE1-CD2 4.41Å; F186-L284 HydrophobicContact CE1-CD1 3.79Å; F186-L284 HydrophobicContact CE1-CD2 4.18Å; F186-L284 HydrophobicContact CZ-CD1 4.06Å; F186-L284 HydrophobicContact CZ-CD2 3.73Å |
| 187 | Y | 91.1 | Very high | 91.4 | Very high | 57 Ų | 57 | 64.7 Ų | 64.7 | 22% | 0.224 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.6 | -52.6 | 176.1 | 179.6 | -94.3 | 0 | 0 | 0 | 111.9 | S183 Q184 G191 C265 G269 P270 L271 | S183-Y187 PolarHBondContact O-N 3.43Å; Q184-Y187 PolarHBondContact O-N 3.35Å; Y187-G191 PolarHBondContact O-N 2.96Å; Y187-C265 HydrophobicContact CE1-CB 4.35Å; Y187-G269 WeakPolarHBondContact CE1-O 3.34Å; Y187-G269 PolarHBondContact OH-O 3.49Å; Y187-P270 HydrophobicContact CD1-CB 4.27Å; Y187-P270 HydrophobicContact CG-CB 4.42Å; Y187-L271 HydrophobicContact CD2-CD1 3.69Å; Y187-L271 HydrophobicContact CD2-CG 3.95Å; Y187-L271 HydrophobicContact CE2-CD1 3.92Å; Y187-L271 HydrophobicContact CE2-CG 3.79Å |
| 188 | Y | 92.6 | Very high | 91.4 | Very high | 44 Ų | 44 | 66.7 Ų | 66.7 | 17% | 0.173 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66.6 | -40.9 | -179.7 | -65.6 | -60.8 | 0 | 0 | 0 | 112.3 | Q184 G191 M192 F262 C265 Y266 | Q184-Y188 HydrophobicContact CB-CE2 4.29Å; Q184-Y188 WeakPolarHBondContact O-CD2 3.46Å; Q184-Y188 PolarHBondContact O-N 2.62Å; Q184-Y188 VanDerWaalsContact O-N 3.08Å; Y188-G191 PolarHBondContact O-N 3.36Å; Y188-M192 WeakPolarHBondContact O-CB 3.35Å; Y188-M192 WeakPolarHBondContact O-CE 3.39Å; Y188-M192 VanDerWaalsContact O-CG 3.24Å; Y188-M192 WeakPolarHBondContact O-CG 3.45Å; Y188-M192 PolarHBondContact O-N 3.1Å; Y188-F262 HydrophobicContact CD1-CD2 4.36Å; Y188-F262 HydrophobicContact CD1-CE2 4.06Å; Y188-F262 HydrophobicContact CG-CE2 4.11Å; Y188-C265 HydrophobicContact CD1-CB 4.11Å; Y188-Y266 HydrophobicContact CE1-CD2 4.49Å |
| 189 | S | 93 | Very high | 91.5 | Very high | 59 Ų | 59 | 65 Ų | 65 | 41% | 0.413 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.9 | -46.2 | 179.1 | -178.8 | 0 | 0 | 0 | 0 | 112.5 | I185 M192 S193 | I185-S189 WeakPolarHBondContact O-CB 3.45Å; I185-S189 PolarHBondContact O-N 3.12Å; S189-M192 PolarHBondContact O-N 2.93Å; S189-S193 WeakPolarHBondContact O-CB 3.11Å; S189-S193 PolarHBondContact O-N 2.97Å; S189-S193 PolarHBondContact O-OG 3.49Å |
| 190 | T | 92.5 | Very high | 91.3 | Very high | 53 Ų | 53 | 61.4 Ų | 61.4 | 33% | 0.325 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67.4 | -42.6 | 178 | -54.9 | 0 | 0 | 0 | 0 | 110.5 | F186 M192 S193 V194 | F186-T190 WeakPolarHBondContact CE2-OG1 3.38Å; F186-T190 WeakPolarHBondContact CZ-OG1 3.34Å; F186-T190 VanDerWaalsContact O-CB 3.23Å; F186-T190 WeakPolarHBondContact O-CB 3.2Å; F186-T190 PolarHBondContact O-N 2.81Å; F186-T190 PolarHBondContact O-OG1 2.89Å; T190-M192 PolarHBondContact O-N 3.5Å; T190-S193 PolarHBondContact O-N 2.9Å; T190-V194 HydrophobicContact CG2-CG2 4.28Å; T190-V194 WeakPolarHBondContact O-CB 3.43Å; T190-V194 VanDerWaalsContact O-CG2 3.3Å; T190-V194 WeakPolarHBondContact O-CG2 3.44Å; T190-V194 PolarHBondContact O-N 3.25Å |
| 191 | G | 92.6 | Very high | 91.1 | Very high | 21 Ų | 21 | 61.6 Ų | 61.6 | 22% | 0.216 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.6 | -45.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y187 Y188 G195 | Y187-G191 PolarHBondContact O-N 2.96Å; Y188-G191 PolarHBondContact O-N 3.36Å; G191-G195 PolarHBondContact O-N 3.38Å |
| 192 | M | 94.1 | Very high | 90.9 | Very high | 56 Ų | 56 | 66 Ų | 66 | 28% | 0.276 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 173.4 | -74.4 | -175.1 | -65.1 | 0 | 0 | 112 | Y188 S189 T190 G195 I196 F262 | Y188-M192 WeakPolarHBondContact O-CB 3.35Å; Y188-M192 WeakPolarHBondContact O-CE 3.39Å; Y188-M192 VanDerWaalsContact O-CG 3.24Å; Y188-M192 WeakPolarHBondContact O-CG 3.45Å; Y188-M192 PolarHBondContact O-N 3.1Å; S189-M192 PolarHBondContact O-N 2.93Å; T190-M192 PolarHBondContact O-N 3.5Å; M192-G195 PolarHBondContact O-N 3.13Å; M192-I196 VanDerWaalsContact O-CG1 3.3Å; M192-I196 WeakPolarHBondContact O-CG1 3.24Å; M192-I196 PolarHBondContact O-N 3.38Å; M192-F262 HydrophobicContact CG-CB 3.99Å; M192-F262 HydrophobicContact CG-CD2 4.47Å; M192-F262 HydrophobicContact SD-CB 3.81Å; M192-F262 HydrophobicContact SD-CD2 3.92Å; M192-F262 HydrophobicContact SD-CG 4.27Å |
| 193 | S | 92.8 | Very high | 90.7 | Very high | 63 Ų | 63 | 60.7 Ų | 60.7 | 44% | 0.441 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.3 | -45.7 | -179.3 | -58.4 | 0 | 0 | 0 | 0 | 111.9 | S189 T190 G195 I196 V197 | S189-S193 WeakPolarHBondContact O-CB 3.11Å; S189-S193 PolarHBondContact O-N 2.97Å; S189-S193 PolarHBondContact O-OG 3.49Å; T190-S193 PolarHBondContact O-N 2.9Å; S193-G195 VanDerWaalsContact C-N 3.34Å; S193-I196 PolarHBondContact O-N 2.92Å; S193-V197 WeakPolarHBondContact O-CG2 3.3Å; S193-V197 PolarHBondContact O-N 3.44Å; S193-V197 VanDerWaalsContact O-N 3.13Å |
| 194 | V | 92.2 | Very high | 90.1 | Very high | 92 Ų | 92 | 59.4 Ų | 59.4 | 56% | 0.558 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -63.5 | -41 | 175 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | T190 V197 A198 | T190-V194 HydrophobicContact CG2-CG2 4.28Å; T190-V194 WeakPolarHBondContact O-CB 3.43Å; T190-V194 VanDerWaalsContact O-CG2 3.3Å; T190-V194 WeakPolarHBondContact O-CG2 3.44Å; T190-V194 PolarHBondContact O-N 3.25Å; V194-V197 PolarHBondContact O-N 3.49Å; V194-A198 WeakPolarHBondContact O-CB 3.46Å; V194-A198 PolarHBondContact O-N 2.92Å |
| 195 | G | 93.7 | Very high | 89.5 | Confident | 18 Ų | 18 | 59.9 Ų | 59.9 | 19% | 0.186 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G191 M192 S193 A198 S199 | G191-G195 PolarHBondContact O-N 3.38Å; M192-G195 PolarHBondContact O-N 3.13Å; S193-G195 VanDerWaalsContact C-N 3.34Å; G195-A198 PolarHBondContact O-N 3.24Å; G195-S199 WeakPolarHBondContact O-CB 3.44Å; G195-S199 PolarHBondContact O-N 2.96Å; G195-S199 PolarHBondContact O-OG 3.3Å |
| 196 | I | 91.9 | Very high | 89 | Confident | 37 Ų | 37 | 57.4 Ų | 57.4 | 19% | 0.19 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.6 | -52.7 | 175 | -68 | 162.1 | 0 | 0 | 0 | 110.1 | M192 S193 A198 S199 L200 Y253 V254 V257 | M192-I196 VanDerWaalsContact O-CG1 3.3Å; M192-I196 WeakPolarHBondContact O-CG1 3.24Å; M192-I196 PolarHBondContact O-N 3.38Å; S193-I196 PolarHBondContact O-N 2.92Å; I196-A198 PolarHBondContact O-N 3.37Å; I196-S199 PolarHBondContact O-N 3.32Å; I196-S199 PolarHBondContact O-OG 2.82Å; I196-L200 PolarHBondContact O-N 3.48Å; I196-Y253 HydrophobicContact CG2-CE1 3.95Å; I196-Y253 PolarHBondContact O-OH 3.17Å; I196-V254 HydrophobicContact CD1-CG1 4.17Å; I196-V257 HydrophobicContact CB-CG1 4.46Å; I196-V257 HydrophobicContact CG1-CG1 4.01Å |
| 197 | V | 89 | Confident | 88.3 | Confident | 82 Ų | 82 | 60.4 Ų | 60.4 | 50% | 0.497 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.5 | -42 | 179.7 | 177.5 | 0 | 0 | 0 | 0 | 111.9 | S193 V194 L200 L201 | S193-V197 WeakPolarHBondContact O-CG2 3.3Å; S193-V197 PolarHBondContact O-N 3.44Å; S193-V197 VanDerWaalsContact O-N 3.13Å; V194-V197 PolarHBondContact O-N 3.49Å; V197-L200 WeakPolarHBondContact O-CB 3.47Å; V197-L200 PolarHBondContact O-N 2.76Å; V197-L201 WeakPolarHBondContact O-CG 3.46Å; V197-L201 PolarHBondContact O-N 3.29Å; V197-L201 VanDerWaalsContact O-N 3.08Å |
| 198 | A | 89.9 | Confident | 87.2 | Confident | 42 Ų | 42 | 58 Ų | 58 | 35% | 0.347 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.1 | -42.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V194 G195 I196 L200 L201 I202 | V194-A198 WeakPolarHBondContact O-CB 3.46Å; V194-A198 PolarHBondContact O-N 2.92Å; G195-A198 PolarHBondContact O-N 3.24Å; I196-A198 PolarHBondContact O-N 3.37Å; A198-L200 VanDerWaalsContact C-N 3.32Å; A198-L200 PolarHBondContact O-N 3.37Å; A198-L201 WeakPolarHBondContact O-CB 3.22Å; A198-L201 PolarHBondContact O-N 2.85Å; A198-I202 WeakPolarHBondContact O-CG1 3.49Å; A198-I202 PolarHBondContact O-N 2.9Å |
| 199 | S | 91.6 | Very high | 86.3 | Confident | 23 Ų | 23 | 64 Ų | 64 | 16% | 0.161 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66.6 | -34.4 | 176 | 75.4 | 0 | 0 | 0 | 0 | 112.2 | G195 I196 L201 I202 I203 Y253 V257 | G195-S199 WeakPolarHBondContact O-CB 3.44Å; G195-S199 PolarHBondContact O-N 2.96Å; G195-S199 PolarHBondContact O-OG 3.3Å; I196-S199 PolarHBondContact O-N 3.32Å; I196-S199 PolarHBondContact O-OG 2.82Å; S199-L201 VanDerWaalsContact C-N 3.31Å; S199-L201 PolarHBondContact O-N 2.86Å; S199-I202 PolarHBondContact O-N 3.45Å; S199-I203 WeakPolarHBondContact O-CG1 3.48Å; S199-I203 PolarHBondContact O-N 3.27Å; S199-Y253 PolarHBondContact OG-OH 3.04Å; S199-V257 WeakPolarHBondContact OG-CG1 3.38Å |
| 200 | L | 86.9 | Confident | 85.2 | Confident | 52 Ų | 52 | 69.2 Ų | 69.2 | 27% | 0.272 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.3 | -44.3 | 174.3 | -175.3 | 65.3 | 0 | 0 | 0 | 110 | I196 V197 A198 I202 I203 I204 Y253 | I196-L200 PolarHBondContact O-N 3.48Å; V197-L200 WeakPolarHBondContact O-CB 3.47Å; V197-L200 PolarHBondContact O-N 2.76Å; A198-L200 VanDerWaalsContact C-N 3.32Å; A198-L200 PolarHBondContact O-N 3.37Å; L200-I202 VanDerWaalsContact C-N 3.33Å; L200-I202 PolarHBondContact O-N 2.8Å; L200-I203 PolarHBondContact O-N 3.35Å; L200-I204 HydrophobicContact CD1-CD1 4.39Å; L200-I204 HydrophobicContact CG-CD1 3.94Å; L200-I204 VanDerWaalsContact O-CB 3.28Å; L200-I204 WeakPolarHBondContact O-CB 3.34Å; L200-I204 VanDerWaalsContact O-CG1 3.25Å; L200-I204 WeakPolarHBondContact O-CG1 3.25Å; L200-I204 PolarHBondContact O-N 3.02Å; L200-Y253 VanDerWaalsContact CA-OH 3.29Å; L200-Y253 WeakPolarHBondContact CA-OH 3.04Å; L200-Y253 WeakPolarHBondContact CB-OH 3.3Å; L200-Y253 PolarHBondContact N-OH 3.44Å |
| 201 | L | 84.9 | Confident | 84 | Confident | 55 Ų | 55 | 72.1 Ų | 72.1 | 29% | 0.288 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.6 | -40.9 | 174.3 | -73.7 | 176.8 | 0 | 0 | 0 | 112.3 | V197 A198 S199 I204 F205 I232 | V197-L201 WeakPolarHBondContact O-CG 3.46Å; V197-L201 PolarHBondContact O-N 3.29Å; V197-L201 VanDerWaalsContact O-N 3.08Å; A198-L201 WeakPolarHBondContact O-CB 3.22Å; A198-L201 PolarHBondContact O-N 2.85Å; S199-L201 VanDerWaalsContact C-N 3.31Å; S199-L201 PolarHBondContact O-N 2.86Å; L201-I204 PolarHBondContact O-N 3.01Å; L201-F205 VanDerWaalsContact O-CB 3.32Å; L201-F205 WeakPolarHBondContact O-CB 3.27Å; L201-F205 PolarHBondContact O-N 3.35Å; L201-I232 HydrophobicContact CD2-CD1 3.55Å; L201-I232 HydrophobicContact CD2-CG1 3.95Å; L201-I232 HydrophobicContact CG-CD1 4.39Å |
| 202 | I | 86.8 | Confident | 82.7 | Confident | 101 Ų | 101 | 75.4 Ų | 75.4 | 52% | 0.518 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.1 | -46.2 | 176.5 | -66.6 | 165.7 | 0 | 0 | 0 | 111 | A198 S199 L200 I204 F205 I206 | A198-I202 WeakPolarHBondContact O-CG1 3.49Å; A198-I202 PolarHBondContact O-N 2.9Å; S199-I202 PolarHBondContact O-N 3.45Å; L200-I202 VanDerWaalsContact C-N 3.33Å; L200-I202 PolarHBondContact O-N 2.8Å; I202-I204 VanDerWaalsContact C-N 3.33Å; I202-I204 PolarHBondContact O-N 3.47Å; I202-F205 WeakPolarHBondContact O-CB 3.1Å; I202-F205 PolarHBondContact O-N 3.47Å; I202-I206 HydrophobicContact CG2-CD1 3.89Å; I202-I206 HydrophobicContact CG2-CG1 4.46Å; I202-I206 WeakPolarHBondContact O-CG1 3.33Å; I202-I206 PolarHBondContact O-N 3.08Å |
| 203 | I | 84.8 | Confident | 81.2 | Confident | 72 Ų | 72 | 80.7 Ų | 80.7 | 37% | 0.369 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.4 | -46.6 | 177.8 | -70 | 167 | 0 | 0 | 0 | 110.1 | S199 L200 F205 I206 L207 Y253 | S199-I203 WeakPolarHBondContact O-CG1 3.48Å; S199-I203 PolarHBondContact O-N 3.27Å; L200-I203 PolarHBondContact O-N 3.35Å; I203-F205 VanDerWaalsContact C-N 3.31Å; I203-F205 PolarHBondContact O-N 2.97Å; I203-I206 PolarHBondContact O-N 3.48Å; I203-L207 HydrophobicContact CG2-CD1 4Å; I203-L207 HydrophobicContact CG2-CG 4.37Å; I203-L207 WeakPolarHBondContact O-CG 3.42Å; I203-L207 PolarHBondContact O-N 3.3Å; I203-Y253 HydrophobicContact CD1-CD2 4.31Å; I203-Y253 HydrophobicContact CD1-CE2 3.57Å |
| 204 | I | 78.9 | Confident | 79.8 | Confident | 15 Ų | 15 | 87.6 Ų | 87.6 | 8% | 0.077 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -56.4 | -46.7 | 174.8 | -79.5 | 169.1 | 0 | 0 | 0 | 110.9 | L200 L201 I202 I206 L207 S208 F227 L231 | L200-I204 HydrophobicContact CD1-CD1 4.39Å; L200-I204 HydrophobicContact CG-CD1 3.94Å; L200-I204 VanDerWaalsContact O-CB 3.28Å; L200-I204 WeakPolarHBondContact O-CB 3.34Å; L200-I204 VanDerWaalsContact O-CG1 3.25Å; L200-I204 WeakPolarHBondContact O-CG1 3.25Å; L200-I204 PolarHBondContact O-N 3.02Å; L201-I204 PolarHBondContact O-N 3.01Å; I202-I204 VanDerWaalsContact C-N 3.33Å; I202-I204 PolarHBondContact O-N 3.47Å; I204-I206 VanDerWaalsContact C-N 3.34Å; I204-I206 PolarHBondContact O-N 3.34Å; I204-L207 PolarHBondContact O-N 3.42Å; I204-S208 WeakPolarHBondContact O-CB 3.33Å; I204-S208 PolarHBondContact O-N 2.91Å; I204-F227 HydrophobicContact CG2-CE1 4.49Å; I204-L231 HydrophobicContact CB-CD1 4.37Å; I204-L231 HydrophobicContact CD1-CB 4.18Å; I204-L231 HydrophobicContact CG2-CB 4.03Å; I204-L231 HydrophobicContact CG2-CD1 3.17Å; I204-L231 HydrophobicContact CG2-CG 4.25Å |
| 205 | F | 77.9 | Confident | 78.5 | Confident | 136 Ų | 136 | 85.1 Ų | 85.1 | 60% | 0.596 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -62.2 | -41.3 | 177.4 | 179 | -99.3 | 0 | 0 | 0 | 111.8 | L201 I202 I203 S208 K209 | L201-F205 VanDerWaalsContact O-CB 3.32Å; L201-F205 WeakPolarHBondContact O-CB 3.27Å; L201-F205 PolarHBondContact O-N 3.35Å; I202-F205 WeakPolarHBondContact O-CB 3.1Å; I202-F205 PolarHBondContact O-N 3.47Å; I203-F205 VanDerWaalsContact C-N 3.31Å; I203-F205 PolarHBondContact O-N 2.97Å; F205-S208 PolarHBondContact O-N 2.87Å; F205-S208 PolarHBondContact O-OG 3.49Å; F205-K209 PolarHBondContact O-N 2.87Å |
| 206 | I | 81.2 | Confident | 76.9 | Confident | 86 Ų | 86 | 89.3 Ų | 89.3 | 44% | 0.441 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.6 | -47.5 | 176.3 | -69.6 | 169 | 0 | 0 | 0 | 110.9 | I202 I203 I204 S208 K209 F210 | I202-I206 HydrophobicContact CG2-CD1 3.89Å; I202-I206 HydrophobicContact CG2-CG1 4.46Å; I202-I206 WeakPolarHBondContact O-CG1 3.33Å; I202-I206 PolarHBondContact O-N 3.08Å; I203-I206 PolarHBondContact O-N 3.48Å; I204-I206 VanDerWaalsContact C-N 3.34Å; I204-I206 PolarHBondContact O-N 3.34Å; I206-S208 PolarHBondContact O-N 2.88Å; I206-K209 WeakPolarHBondContact O-CB 3.28Å; I206-K209 PolarHBondContact O-N 3.19Å; I206-F210 HydrophobicContact CG2-CD2 4.23Å; I206-F210 HydrophobicContact CG2-CE2 3.62Å; I206-F210 WeakPolarHBondContact O-CD2 3.31Å |
| 207 | L | 75.5 | Confident | 75.5 | Confident | 104 Ų | 104 | 92.1 Ų | 92.1 | 55% | 0.545 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58.6 | -37.6 | 176.9 | -71.4 | 174.4 | 0 | 0 | 0 | 112 | I203 I204 K209 F210 | I203-L207 HydrophobicContact CG2-CD1 4Å; I203-L207 HydrophobicContact CG2-CG 4.37Å; I203-L207 WeakPolarHBondContact O-CG 3.42Å; I203-L207 PolarHBondContact O-N 3.3Å; I204-L207 PolarHBondContact O-N 3.42Å; L207-K209 VanDerWaalsContact C-N 3.26Å; L207-K209 PolarHBondContact O-N 3.42Å; L207-F210 PolarHBondContact O-N 3.18Å; L207-F210 VanDerWaalsContact O-N 3.16Å |
| 208 | S | 68.6 | Low | 74.4 | Confident | 7 Ų | 7 | 92.7 Ų | 92.7 | 5% | 0.049 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -63.7 | -31.9 | 177.2 | 81.8 | 0 | 0 | 0 | 0 | 113.1 | I204 F205 I206 F210 M211 L221 | I204-S208 WeakPolarHBondContact O-CB 3.33Å; I204-S208 PolarHBondContact O-N 2.91Å; F205-S208 PolarHBondContact O-N 2.87Å; F205-S208 PolarHBondContact O-OG 3.49Å; I206-S208 PolarHBondContact O-N 2.88Å; S208-F210 PolarHBondContact O-N 3.19Å; S208-M211 WeakPolarHBondContact O-CB 3.45Å; S208-M211 PolarHBondContact O-N 3.46Å; S208-L221 VanDerWaalsContact O-CD2 3.27Å; S208-L221 WeakPolarHBondContact O-CD2 3.34Å; S208-L221 VanDerWaalsContact OG-CD1 3.3Å; S208-L221 WeakPolarHBondContact OG-CD1 3.32Å |
| 209 | K | 73.4 | Confident | 73.2 | Confident | 171 Ų | 171 | 96 Ų | 96 | 74% | 0.743 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -68.7 | -22.9 | 177.3 | -170.9 | 174.3 | 178 | 176 | 0 | 112.7 | F205 I206 L207 M211 | F205-K209 PolarHBondContact O-N 2.87Å; I206-K209 WeakPolarHBondContact O-CB 3.28Å; I206-K209 PolarHBondContact O-N 3.19Å; L207-K209 VanDerWaalsContact C-N 3.26Å; L207-K209 PolarHBondContact O-N 3.42Å; K209-M211 VanDerWaalsContact C-N 3.34Å |
| 210 | F | 70.6 | Confident | 72 | Confident | 167 Ų | 167 | 99.9 Ų | 99.9 | 73% | 0.732 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -4.8 | 176.3 | -67.8 | -71.5 | 0 | 0 | 0 | 113.6 | I206 L207 S208 | I206-F210 HydrophobicContact CG2-CD2 4.23Å; I206-F210 HydrophobicContact CG2-CE2 3.62Å; I206-F210 WeakPolarHBondContact O-CD2 3.31Å; L207-F210 PolarHBondContact O-N 3.18Å; L207-F210 VanDerWaalsContact O-N 3.16Å; S208-F210 PolarHBondContact O-N 3.19Å |
| 211 | M | 66.4 | Low | 70.8 | Confident | 115 Ų | 115 | 98.9 Ų | 98.9 | 57% | 0.567 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -73.6 | 140.8 | 178.2 | -71.6 | -70.8 | 175.2 | 0 | 0 | 111.7 | S208 K209 K213 | S208-M211 WeakPolarHBondContact O-CB 3.45Å; S208-M211 PolarHBondContact O-N 3.46Å; K209-M211 VanDerWaalsContact C-N 3.34Å; M211-K213 PolarHBondContact O-N 2.86Å |
| 212 | P | 65.4 | Low | 69.9 | Low | 90 Ų | 90 | 101.5 Ų | 101.5 | 58% | 0.584 | 51% | 0.51 | S | S | * | . | trans | -63.2 | 124.6 | -175.7 | 23.1 | -31.9 | 0 | 0 | 0 | 111.5 | K214 S215 | P212-K214 PolarHBondContact O-N 2.58Å; P212-S215 PolarHBondContact O-N 2.92Å | ||
| 213 | K | 63.1 | Low | 68.7 | Low | 166 Ų | 166 | 99 Ų | 99 | 72% | 0.722 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -8.8 | -176.4 | -64 | -176.8 | 177.5 | -179.7 | 0 | 115.8 | M211 Y218 | M211-K213 PolarHBondContact O-N 2.86Å; K213-Y218 HydrophobicContact CG-CD2 4.36Å; K213-Y218 HydrophobicContact CG-CE2 4.01Å |
| 214 | K | 62.6 | Low | 68.1 | Low | 209 Ų | 209 | 97.5 Ų | 97.5 | 91% | 0.909 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -6.3 | -176.2 | -62.2 | -166 | 177.6 | -175.1 | 0 | 114.4 | P212 | P212-K214 PolarHBondContact O-N 2.58Š|
| 215 | S | 64.8 | Low | 67.8 | Low | 40 Ų | 40 | 107.7 Ų | 107.7 | 28% | 0.28 | 55% | 0.55 | S | S | . | . | S | Bend | trans | -84.5 | 141.8 | 178.8 | 178.4 | 0 | 0 | 0 | 0 | 111.2 | P212 I217 Y218 | P212-S215 PolarHBondContact O-N 2.92Å; S215-I217 PolarHBondContact O-N 3.27Å; S215-I217 WeakPolarHBondContact OG-CG1 3.39Å; S215-I217 PolarHBondContact OG-N 3.4Å; S215-Y218 WeakPolarHBondContact O-CB 3.46Å; S215-Y218 PolarHBondContact O-N 3.32Å |
| 216 | P | 61 | Low | 67.6 | Low | 105 Ų | 105 | 105.3 Ų | 105.3 | 68% | 0.682 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -17.9 | 172.2 | 23.1 | -34 | 0 | 0 | 0 | 113.3 | Y218 V219 | P216-Y218 VanDerWaalsContact C-N 3.27Å; P216-Y218 PolarHBondContact O-N 3.36Å; P216-V219 PolarHBondContact O-N 3.47Å |
| 217 | I | 62.6 | Low | 67.2 | Low | 96 Ų | 96 | 102.3 Ų | 102.3 | 49% | 0.492 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.4 | -28.8 | 173.4 | -58.5 | 170.8 | 0 | 0 | 0 | 111.9 | S215 V219 I220 L221 F227 | S215-I217 PolarHBondContact O-N 3.27Å; S215-I217 WeakPolarHBondContact OG-CG1 3.39Å; S215-I217 PolarHBondContact OG-N 3.4Å; I217-V219 VanDerWaalsContact C-N 3.3Å; I217-V219 PolarHBondContact O-N 2.93Å; I217-I220 PolarHBondContact O-N 2.98Å; I217-L221 WeakPolarHBondContact O-CB 3.3Å; I217-L221 PolarHBondContact O-N 3.37Å; I217-F227 HydrophobicContact CG2-CE2 4.48Å |
| 218 | Y | 65.8 | Low | 67.2 | Low | 94 Ų | 94 | 99 Ų | 99 | 37% | 0.369 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.1 | -30.6 | 177.5 | -176.2 | -94.9 | 0 | 0 | 0 | 112.5 | K213 S215 P216 L221 V222 | K213-Y218 HydrophobicContact CG-CD2 4.36Å; K213-Y218 HydrophobicContact CG-CE2 4.01Å; S215-Y218 WeakPolarHBondContact O-CB 3.46Å; S215-Y218 PolarHBondContact O-N 3.32Å; P216-Y218 VanDerWaalsContact C-N 3.27Å; P216-Y218 PolarHBondContact O-N 3.36Å; Y218-L221 HydrophobicContact CD2-CD2 4.27Å; Y218-L221 WeakPolarHBondContact O-CB 3.14Å; Y218-L221 PolarHBondContact O-N 3.04Å; Y218-V222 HydrophobicContact CE1-CG2 4.25Å; Y218-V222 PolarHBondContact O-N 3.34Å |
| 219 | V | 64.4 | Low | 67.5 | Low | 112 Ų | 112 | 101.8 Ų | 101.8 | 68% | 0.679 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -70.7 | -38.6 | 175.6 | -179.9 | 0 | 0 | 0 | 0 | 110.8 | P216 I217 L221 V222 | P216-V219 PolarHBondContact O-N 3.47Å; I217-V219 VanDerWaalsContact C-N 3.3Å; I217-V219 PolarHBondContact O-N 2.93Å; V219-L221 VanDerWaalsContact C-N 3.29Å; V219-V222 PolarHBondContact O-N 3.27Å |
| 220 | I | 66.3 | Low | 67.5 | Low | 105 Ų | 105 | 100.1 Ų | 100.1 | 54% | 0.538 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.1 | -34 | 173.3 | -61 | 172.4 | 0 | 0 | 0 | 110.6 | I217 V222 G223 F227 | I217-I220 PolarHBondContact O-N 2.98Å; I220-V222 PolarHBondContact O-N 3.18Å; I220-G223 WeakPolarHBondContact O-CA 3.32Å; I220-G223 PolarHBondContact O-N 3.4Å; I220-F227 HydrophobicContact CG2-CD2 4.29Å |
| 221 | L | 62.2 | Low | 67.7 | Low | 31 Ų | 31 | 93.7 Ų | 93.7 | 16% | 0.162 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -65.1 | -36.1 | 178.5 | 179.9 | 61.6 | 0 | 0 | 0 | 113.4 | S208 I217 Y218 V219 G223 F227 | S208-L221 VanDerWaalsContact O-CD2 3.27Å; S208-L221 WeakPolarHBondContact O-CD2 3.34Å; S208-L221 VanDerWaalsContact OG-CD1 3.3Å; S208-L221 WeakPolarHBondContact OG-CD1 3.32Å; I217-L221 WeakPolarHBondContact O-CB 3.3Å; I217-L221 PolarHBondContact O-N 3.37Å; Y218-L221 HydrophobicContact CD2-CD2 4.27Å; Y218-L221 WeakPolarHBondContact O-CB 3.14Å; Y218-L221 PolarHBondContact O-N 3.04Å; V219-L221 VanDerWaalsContact C-N 3.29Å; L221-G223 PolarHBondContact O-N 3.3Å; L221-F227 HydrophobicContact CD1-CD1 3.38Å; L221-F227 HydrophobicContact CD1-CD2 4.21Å; L221-F227 HydrophobicContact CD1-CE1 3.23Å; L221-F227 HydrophobicContact CD1-CE2 4.1Å; L221-F227 HydrophobicContact CD1-CG 3.87Å; L221-F227 HydrophobicContact CD1-CZ 3.61Å |
| 222 | V | 65 | Low | 68.1 | Low | 109 Ų | 109 | 89.8 Ų | 89.8 | 66% | 0.661 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -69.6 | -17.9 | 172.7 | 176.6 | 0 | 0 | 0 | 0 | 111.4 | Y218 V219 I220 G224 | Y218-V222 HydrophobicContact CE1-CG2 4.25Å; Y218-V222 PolarHBondContact O-N 3.34Å; V219-V222 PolarHBondContact O-N 3.27Å; I220-V222 PolarHBondContact O-N 3.18Å; V222-G224 PolarHBondContact O-N 3.35Å; V222-G224 VanDerWaalsContact O-N 3.1Å |
| 223 | G | 63.3 | Low | 68.6 | Low | 49 Ų | 49 | 88.3 Ų | 88.3 | 51% | 0.505 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | 9.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | I220 L221 | I220-G223 WeakPolarHBondContact O-CA 3.32Å; I220-G223 PolarHBondContact O-N 3.4Å; L221-G223 PolarHBondContact O-N 3.3Å |
| 224 | G | 71.9 | Confident | 69.1 | Low | 40 Ų | 40 | 83.8 Ų | 83.8 | 41% | 0.412 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | -139.1 | 169 | 0 | 0 | 0 | 0 | 0 | 115.5 | V222 S226 F227 | V222-G224 PolarHBondContact O-N 3.35Å; V222-G224 VanDerWaalsContact O-N 3.1Å; G224-S226 PolarHBondContact O-N 2.9Å; G224-F227 PolarHBondContact O-N 3.23Å |
| 225 | W | 71.6 | Confident | 69.7 | Low | 230 Ų | 230 | 75.9 Ų | 75.9 | 87% | 0.871 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -54.4 | -30.3 | -166.7 | -71.7 | 19 | 0 | 0 | 0 | 113.8 | F227 S228 L229 | W225-F227 VanDerWaalsContact C-N 3.3Å; W225-F227 PolarHBondContact O-N 2.85Å; W225-S228 PolarHBondContact O-N 3.27Å; W225-L229 WeakPolarHBondContact O-CB 3.27Å; W225-L229 WeakPolarHBondContact O-CG 3.4Å; W225-L229 PolarHBondContact O-N 3.32Å |
| 226 | S | 73.3 | Confident | 70.1 | Confident | 85 Ų | 85 | 79.2 Ų | 79.2 | 59% | 0.594 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -60 | -34.5 | 178.3 | -55.4 | 0 | 0 | 0 | 0 | 113.8 | G224 Y230 | G224-S226 PolarHBondContact O-N 2.9Å; S226-Y230 WeakPolarHBondContact O-CB 3.35Å; S226-Y230 PolarHBondContact O-N 2.82Å |
| 227 | F | 74.2 | Confident | 70.6 | Confident | 23 Ų | 23 | 81.2 Ų | 81.2 | 10% | 0.101 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -73.7 | -41.8 | 178 | 178.6 | -99 | 0 | 0 | 0 | 112.1 | I204 I217 I220 L221 G224 W225 L229 Y230 L231 | I204-F227 HydrophobicContact CG2-CE1 4.49Å; I217-F227 HydrophobicContact CG2-CE2 4.48Å; I220-F227 HydrophobicContact CG2-CD2 4.29Å; L221-F227 HydrophobicContact CD1-CD1 3.38Å; L221-F227 HydrophobicContact CD1-CD2 4.21Å; L221-F227 HydrophobicContact CD1-CE1 3.23Å; L221-F227 HydrophobicContact CD1-CE2 4.1Å; L221-F227 HydrophobicContact CD1-CG 3.87Å; L221-F227 HydrophobicContact CD1-CZ 3.61Å; G224-F227 PolarHBondContact O-N 3.23Å; W225-F227 VanDerWaalsContact C-N 3.3Å; W225-F227 PolarHBondContact O-N 2.85Å; F227-L229 VanDerWaalsContact C-N 3.28Å; F227-L229 PolarHBondContact O-N 2.97Å; F227-Y230 PolarHBondContact O-N 3.46Å; F227-L231 HydrophobicContact CD1-CD1 4.02Å; F227-L231 HydrophobicContact CE1-CD1 3.22Å; F227-L231 HydrophobicContact CE1-CG 4.07Å; F227-L231 HydrophobicContact CE2-CD1 4.12Å; F227-L231 HydrophobicContact CE2-CG 4.3Å; F227-L231 HydrophobicContact CZ-CD1 3.3Å; F227-L231 HydrophobicContact CZ-CG 3.96Å; F227-L231 PolarHBondContact O-N 3.39Å |
| 228 | S | 75.6 | Confident | 71.3 | Confident | 36 Ų | 36 | 80 Ų | 80 | 25% | 0.252 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -59.7 | -43.9 | 175 | -65.9 | 0 | 0 | 0 | 0 | 110.5 | W225 L231 I232 | W225-S228 PolarHBondContact O-N 3.27Å; S228-L231 PolarHBondContact O-N 3.3Å; S228-I232 WeakPolarHBondContact O-CB 3.41Å; S228-I232 WeakPolarHBondContact O-CD1 3.45Å; S228-I232 VanDerWaalsContact O-CG1 3.22Å; S228-I232 WeakPolarHBondContact O-CG1 3.38Å; S228-I232 PolarHBondContact O-N 3.47Å |
| 229 | L | 73.9 | Confident | 71.8 | Confident | 65 Ų | 65 | 78.4 Ų | 78.4 | 34% | 0.34 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61 | -44.7 | 174.3 | -80.5 | -175.1 | 0 | 0 | 0 | 113.2 | F115 W225 F227 L231 I232 Q233 | F115-L229 HydrophobicContact CE1-CD1 4.04Å; F115-L229 HydrophobicContact CE1-CD2 3.8Å; F115-L229 HydrophobicContact CE1-CG 4.34Å; F115-L229 HydrophobicContact CE2-CB 4.44Å; F115-L229 HydrophobicContact CE2-CD1 4.29Å; F115-L229 HydrophobicContact CZ-CB 3.73Å; F115-L229 HydrophobicContact CZ-CD1 3.61Å; F115-L229 HydrophobicContact CZ-CD2 3.75Å; F115-L229 HydrophobicContact CZ-CG 3.86Å; W225-L229 WeakPolarHBondContact O-CB 3.27Å; W225-L229 WeakPolarHBondContact O-CG 3.4Å; W225-L229 PolarHBondContact O-N 3.32Å; F227-L229 VanDerWaalsContact C-N 3.28Å; F227-L229 PolarHBondContact O-N 2.97Å; L229-L231 PolarHBondContact O-N 3.02Å; L229-I232 PolarHBondContact O-N 3.47Å; L229-Q233 WeakPolarHBondContact O-CB 3.15Å; L229-Q233 PolarHBondContact O-N 3.4Å |
| 230 | Y | 74.4 | Confident | 72.3 | Confident | 135 Ų | 135 | 80 Ų | 80 | 53% | 0.529 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 175.5 | 174 | -100.2 | 0 | 0 | 0 | 112.7 | S226 F227 Q233 L234 | S226-Y230 WeakPolarHBondContact O-CB 3.35Å; S226-Y230 PolarHBondContact O-N 2.82Å; F227-Y230 PolarHBondContact O-N 3.46Å; Y230-Q233 VanDerWaalsContact O-CB 3.28Å; Y230-Q233 WeakPolarHBondContact O-CB 3.4Å; Y230-Q233 PolarHBondContact O-N 3.47Å; Y230-L234 PolarHBondContact O-N 2.96Å |
| 231 | L | 73.7 | Confident | 72.9 | Confident | 33 Ų | 33 | 79.4 Ų | 79.4 | 17% | 0.173 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -74 | -36.4 | 178.7 | -72.8 | -175.9 | 0 | 0 | 0 | 112.9 | I204 F227 S228 L229 Q233 L234 V235 | I204-L231 HydrophobicContact CB-CD1 4.37Å; I204-L231 HydrophobicContact CD1-CB 4.18Å; I204-L231 HydrophobicContact CG2-CB 4.03Å; I204-L231 HydrophobicContact CG2-CD1 3.17Å; I204-L231 HydrophobicContact CG2-CG 4.25Å; F227-L231 HydrophobicContact CD1-CD1 4.02Å; F227-L231 HydrophobicContact CE1-CD1 3.22Å; F227-L231 HydrophobicContact CE1-CG 4.07Å; F227-L231 HydrophobicContact CE2-CD1 4.12Å; F227-L231 HydrophobicContact CE2-CG 4.3Å; F227-L231 HydrophobicContact CZ-CD1 3.3Å; F227-L231 HydrophobicContact CZ-CG 3.96Å; F227-L231 PolarHBondContact O-N 3.39Å; S228-L231 PolarHBondContact O-N 3.3Å; L229-L231 PolarHBondContact O-N 3.02Å; L231-Q233 PolarHBondContact O-N 2.85Å; L231-L234 HydrophobicContact CD2-CD2 3.91Å; L231-L234 WeakPolarHBondContact O-CB 3.38Å; L231-L234 PolarHBondContact O-N 3.34Å; L231-L234 VanDerWaalsContact O-N 3.16Å; L231-V235 WeakPolarHBondContact O-CG2 3.35Å; L231-V235 PolarHBondContact O-N 3.05Å |
| 232 | I | 75.3 | Confident | 73.9 | Confident | 33 Ų | 33 | 80.2 Ų | 80.2 | 17% | 0.169 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -56.5 | -43.9 | 167.6 | -69.5 | 163.1 | 0 | 0 | 0 | 109.1 | F119 L201 S228 L229 L234 V235 F236 | F119-I232 HydrophobicContact CE1-CB 4.38Å; F119-I232 HydrophobicContact CE1-CG2 3.97Å; L201-I232 HydrophobicContact CD2-CD1 3.55Å; L201-I232 HydrophobicContact CD2-CG1 3.95Å; L201-I232 HydrophobicContact CG-CD1 4.39Å; S228-I232 WeakPolarHBondContact O-CB 3.41Å; S228-I232 WeakPolarHBondContact O-CD1 3.45Å; S228-I232 VanDerWaalsContact O-CG1 3.22Å; S228-I232 WeakPolarHBondContact O-CG1 3.38Å; S228-I232 PolarHBondContact O-N 3.47Å; L229-I232 PolarHBondContact O-N 3.47Å; I232-L234 VanDerWaalsContact C-N 3.29Å; I232-L234 PolarHBondContact O-N 3.29Å; I232-V235 PolarHBondContact O-N 3.47Å; I232-F236 HydrophobicContact CG2-CD2 3.47Å; I232-F236 VanDerWaalsContact CG2-CD2 3.47Å; I232-F236 HydrophobicContact CG2-CE2 3.43Å; I232-F236 VanDerWaalsContact CG2-CE2 3.43Å; I232-F236 VanDerWaalsContact O-CD2 3.24Å; I232-F236 WeakPolarHBondContact O-CD2 3.44Å; I232-F236 PolarHBondContact O-N 3.01Å |
| 233 | Q | 75 | Confident | 74.6 | Confident | 59 Ų | 59 | 83.2 Ų | 83.2 | 28% | 0.276 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.1 | -41.1 | 177.8 | -162.8 | 179.4 | 5.6 | 0 | 0 | 111.8 | S118 F119 L229 Y230 L231 F236 K237 | S118-Q233 PolarHBondContact OG-NE2 2.82Å; F119-Q233 VanDerWaalsContact CD1-CA 3.47Å; F119-Q233 HydrophobicContact CD1-CB 3.78Å; F119-Q233 HydrophobicContact CD1-CG 3.77Å; F119-Q233 HydrophobicContact CD2-CG 4.32Å; F119-Q233 HydrophobicContact CE1-CB 3.27Å; F119-Q233 HydrophobicContact CE1-CG 3.7Å; F119-Q233 VanDerWaalsContact CE1-N 3.26Å; F119-Q233 HydrophobicContact CE2-CB 4.38Å; F119-Q233 HydrophobicContact CE2-CG 4.19Å; F119-Q233 HydrophobicContact CG-CG 4.08Å; F119-Q233 HydrophobicContact CZ-CB 3.57Å; F119-Q233 HydrophobicContact CZ-CG 3.87Å; L229-Q233 WeakPolarHBondContact O-CB 3.15Å; L229-Q233 PolarHBondContact O-N 3.4Å; Y230-Q233 VanDerWaalsContact O-CB 3.28Å; Y230-Q233 WeakPolarHBondContact O-CB 3.4Å; Y230-Q233 PolarHBondContact O-N 3.47Å; L231-Q233 PolarHBondContact O-N 2.85Å; Q233-F236 PolarHBondContact O-N 3.15Å; Q233-K237 WeakPolarHBondContact O-CB 3.39Å; Q233-K237 PolarHBondContact O-N 3.26Å |
| 234 | L | 73.7 | Confident | 75.5 | Confident | 71 Ų | 71 | 89.6 Ų | 89.6 | 37% | 0.372 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.1 | -41.3 | 176.6 | -173.9 | 67.1 | 0 | 0 | 0 | 112.2 | Y230 L231 I232 N238 | Y230-L234 PolarHBondContact O-N 2.96Å; L231-L234 HydrophobicContact CD2-CD2 3.91Å; L231-L234 WeakPolarHBondContact O-CB 3.38Å; L231-L234 PolarHBondContact O-N 3.34Å; L231-L234 VanDerWaalsContact O-N 3.16Å; I232-L234 VanDerWaalsContact C-N 3.29Å; I232-L234 PolarHBondContact O-N 3.29Å; L234-N238 WeakPolarHBondContact CD1-ND2 3.33Å; L234-N238 PolarHBondContact O-N 3.48Å; L234-N238 PolarHBondContact O-ND2 2.81Å |
| 235 | V | 76.5 | Confident | 76.3 | Confident | 43 Ų | 43 | 90.9 Ų | 90.9 | 26% | 0.261 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65 | -48.6 | 176.7 | 172.7 | 0 | 0 | 0 | 0 | 110.4 | L231 I232 K237 N238 L239 I242 | L231-V235 WeakPolarHBondContact O-CG2 3.35Å; L231-V235 PolarHBondContact O-N 3.05Å; I232-V235 PolarHBondContact O-N 3.47Å; V235-K237 PolarHBondContact O-N 2.96Å; V235-N238 CarbonylContact O-C 3.54Å; V235-N238 PolarHBondContact O-N 2.9Å; V235-L239 WeakPolarHBondContact O-CA 3.37Å; V235-L239 PolarHBondContact O-N 2.8Å; V235-I242 HydrophobicContact CG1-CD1 4.36Å |
| 236 | F | 72.8 | Confident | 77 | Confident | 110 Ų | 110 | 86.4 Ų | 86.4 | 48% | 0.482 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62 | -41.5 | 178 | -83 | -73.5 | 0 | 0 | 0 | 112.4 | F119 I232 Q233 N238 L239 | F119-F236 HydrophobicContact CD1-CB 4.42Å; F119-F236 HydrophobicContact CD1-CD2 4.17Å; I232-F236 HydrophobicContact CG2-CD2 3.47Å; I232-F236 VanDerWaalsContact CG2-CD2 3.47Å; I232-F236 HydrophobicContact CG2-CE2 3.43Å; I232-F236 VanDerWaalsContact CG2-CE2 3.43Å; I232-F236 VanDerWaalsContact O-CD2 3.24Å; I232-F236 WeakPolarHBondContact O-CD2 3.44Å; I232-F236 PolarHBondContact O-N 3.01Å; Q233-F236 PolarHBondContact O-N 3.15Å; F236-N238 VanDerWaalsContact C-N 3.26Å; F236-N238 PolarHBondContact O-N 3.35Å; F236-L239 HydrophobicContact CD1-CD2 4.28Å; F236-L239 VanDerWaalsContact O-CB 3.24Å; F236-L239 WeakPolarHBondContact O-CB 3.43Å; F236-L239 PolarHBondContact O-N 2.85Å |
| 237 | K | 71.1 | Confident | 77.7 | Confident | 146 Ų | 146 | 89 Ų | 89 | 64% | 0.635 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -63.2 | -30.9 | 178.1 | -177.8 | 178.2 | 175.6 | -179.7 | 0 | 113.4 | Q233 V235 | Q233-K237 WeakPolarHBondContact O-CB 3.39Å; Q233-K237 PolarHBondContact O-N 3.26Å; V235-K237 PolarHBondContact O-N 2.96Å |
| 238 | N | 77.1 | Confident | 78.5 | Confident | 71 Ų | 71 | 94 Ų | 94 | 38% | 0.38 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 11 | 178.8 | -62 | -67.2 | 0 | 0 | 0 | 112.2 | L234 V235 F236 Q240 E241 I242 | L234-N238 WeakPolarHBondContact CD1-ND2 3.33Å; L234-N238 PolarHBondContact O-N 3.48Å; L234-N238 PolarHBondContact O-ND2 2.81Å; V235-N238 CarbonylContact O-C 3.54Å; V235-N238 PolarHBondContact O-N 2.9Å; F236-N238 VanDerWaalsContact C-N 3.26Å; F236-N238 PolarHBondContact O-N 3.35Å; N238-Q240 VanDerWaalsContact C-N 3.28Å; N238-Q240 PolarHBondContact O-N 3.31Å; N238-E241 PolarHBondContact O-N 3.48Å; N238-E241 VanDerWaalsContact O-N 3.09Å; N238-I242 HydrophobicContact CB-CD1 4.32Å; N238-I242 VanDerWaalsContact O-CG1 3.29Å; N238-I242 WeakPolarHBondContact O-CG1 3.33Å; N238-I242 PolarHBondContact O-N 3.06Å |
| 239 | L | 76.8 | Confident | 79.1 | Confident | 61 Ų | 61 | 100.5 Ų | 100.5 | 32% | 0.319 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.2 | -37.9 | -172.5 | -171.4 | 67.1 | 0 | 0 | 0 | 111.6 | V235 F236 E241 I242 W243 | V235-L239 WeakPolarHBondContact O-CA 3.37Å; V235-L239 PolarHBondContact O-N 2.8Å; F236-L239 HydrophobicContact CD1-CD2 4.28Å; F236-L239 VanDerWaalsContact O-CB 3.24Å; F236-L239 WeakPolarHBondContact O-CB 3.43Å; F236-L239 PolarHBondContact O-N 2.85Å; L239-E241 VanDerWaalsContact C-N 3.32Å; L239-E241 PolarHBondContact O-N 3.02Å; L239-I242 PolarHBondContact O-N 2.92Å; L239-W243 WeakPolarHBondContact O-CB 3.49Å; L239-W243 PolarHBondContact O-N 3.25Å |
| 240 | Q | 75.6 | Confident | 79.8 | Confident | 144 Ų | 144 | 99.4 Ų | 99.4 | 67% | 0.673 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -61.9 | -40.1 | 176.8 | -169.4 | 178.7 | 4.6 | 0 | 0 | 112.1 | N238 R244 | N238-Q240 VanDerWaalsContact C-N 3.28Å; N238-Q240 PolarHBondContact O-N 3.31Å; Q240-R244 WeakPolarHBondContact O-CB 3.47Å; Q240-R244 PolarHBondContact O-N 2.93Å; Q240-R244 VanDerWaalsContact O-N 3.11Å |
| 241 | E | 79.1 | Confident | 80.6 | Confident | 94 Ų | 94 | 96.7 Ų | 96.7 | 44% | 0.439 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -71.5 | -41.1 | 177.2 | -165.8 | 62.4 | -141.4 | 0 | 0 | 111.1 | N238 L239 W243 R244 C245 | N238-E241 PolarHBondContact O-N 3.48Å; N238-E241 VanDerWaalsContact O-N 3.09Å; L239-E241 VanDerWaalsContact C-N 3.32Å; L239-E241 PolarHBondContact O-N 3.02Å; E241-W243 VanDerWaalsContact C-N 3.34Å; E241-W243 PolarHBondContact O-N 3.43Å; E241-R244 PolarHBondContact O-N 3.18Å; E241-R244 IonicContact OE1-NH2 3.93Å; E241-C245 WeakPolarHBondContact O-CB 3.47Å; E241-C245 PolarHBondContact O-N 3.41Å; E241-C245 PolarHBondContact OE1-SG 3.04Å |
| 242 | I | 81.6 | Confident | 81.5 | Confident | 47 Ų | 47 | 98.3 Ų | 98.3 | 24% | 0.241 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -60.6 | -44.9 | 175.4 | -65.9 | 165.1 | 0 | 0 | 0 | 110.3 | V235 N238 L239 R244 Y246 W247 L250 | V235-I242 HydrophobicContact CG1-CD1 4.36Å; N238-I242 HydrophobicContact CB-CD1 4.32Å; N238-I242 VanDerWaalsContact O-CG1 3.29Å; N238-I242 WeakPolarHBondContact O-CG1 3.33Å; N238-I242 PolarHBondContact O-N 3.06Å; L239-I242 PolarHBondContact O-N 2.92Å; I242-R244 VanDerWaalsContact C-N 3.32Å; I242-R244 PolarHBondContact O-N 3.38Å; I242-Y246 CarbonylContact O-C 3.29Å; I242-Y246 VanDerWaalsContact O-C 3.29Å; I242-Y246 VanDerWaalsContact O-CA 3.28Å; I242-Y246 WeakPolarHBondContact O-CA 3.46Å; I242-Y246 WeakPolarHBondContact O-CB 3.29Å; I242-Y246 PolarHBondContact O-N 3.45Å; I242-W247 PolarHBondContact O-N 3.44Å; I242-L250 HydrophobicContact CG2-CD2 4.48Å |
| 243 | W | 80.8 | Confident | 82.3 | Confident | 172 Ų | 172 | 99 Ų | 99 | 65% | 0.652 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -66.7 | -33.4 | 179.7 | -161.6 | -72.7 | 0 | 0 | 0 | 112.2 | L239 E241 W247 L250 | L239-W243 WeakPolarHBondContact O-CB 3.49Å; L239-W243 PolarHBondContact O-N 3.25Å; E241-W243 VanDerWaalsContact C-N 3.34Å; E241-W243 PolarHBondContact O-N 3.43Å; W243-W247 WeakPolarHBondContact O-CB 3.37Å; W243-L250 HydrophobicContact CD2-CD2 4.34Å; W243-L250 HydrophobicContact CE3-CD2 3.64Å; W243-L250 HydrophobicContact CZ3-CD2 3.97Å |
| 244 | R | 82.3 | Confident | 83.1 | Confident | 184 Ų | 184 | 98.9 Ų | 98.9 | 69% | 0.694 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -81.3 | -43.2 | -179.1 | -164 | 175.5 | 71.9 | 155.5 | 1.3 | 112.8 | Q240 E241 I242 | Q240-R244 WeakPolarHBondContact O-CB 3.47Å; Q240-R244 PolarHBondContact O-N 2.93Å; Q240-R244 VanDerWaalsContact O-N 3.11Å; E241-R244 PolarHBondContact O-N 3.18Å; E241-R244 IonicContact OE1-NH2 3.93Å; I242-R244 VanDerWaalsContact C-N 3.32Å; I242-R244 PolarHBondContact O-N 3.38Å |
| 245 | C | 88 | Confident | 84.1 | Confident | 66 Ų | 66 | 100.7 Ų | 100.7 | 45% | 0.446 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -98.4 | -24.7 | -171.1 | -67.7 | 0 | 0 | 0 | 0 | 113.7 | E241 | E241-C245 WeakPolarHBondContact O-CB 3.47Å; E241-C245 PolarHBondContact O-N 3.41Å; E241-C245 PolarHBondContact OE1-SG 3.04Å |
| 246 | Y | 86.8 | Confident | 85 | Confident | 136 Ų | 136 | 102.3 Ų | 102.3 | 53% | 0.533 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -127.8 | 24.3 | -172.6 | -59.8 | -83.7 | 0 | 0 | 0 | 113.7 | I242 Q248 Y249 L250 | I242-Y246 CarbonylContact O-C 3.29Å; I242-Y246 VanDerWaalsContact O-C 3.29Å; I242-Y246 VanDerWaalsContact O-CA 3.28Å; I242-Y246 WeakPolarHBondContact O-CA 3.46Å; I242-Y246 WeakPolarHBondContact O-CB 3.29Å; I242-Y246 PolarHBondContact O-N 3.45Å; Y246-Q248 VanDerWaalsContact C-N 3.25Å; Y246-Q248 PolarHBondContact O-N 2.9Å; Y246-Q248 VanDerWaalsContact O-N 3.15Å; Y246-Y249 HydrophobicContact CD1-CD2 4.04Å; Y246-Y249 HydrophobicContact CD1-CE2 4.37Å; Y246-Y249 PolarHBondContact O-N 2.83Å; Y246-Y249 VanDerWaalsContact O-N 3.09Å; Y246-L250 PolarHBondContact O-N 3.23Å; Y246-L250 VanDerWaalsContact O-N 3.07Å |
| 247 | W | 87.3 | Confident | 86.1 | Confident | 140 Ų | 140 | 98.2 Ų | 98.2 | 53% | 0.53 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -55 | -36.5 | -174.2 | 90.2 | -90.3 | 0 | 0 | 0 | 113.9 | I242 W243 L250 L251 | I242-W247 PolarHBondContact O-N 3.44Å; W243-W247 WeakPolarHBondContact O-CB 3.37Å; W247-L250 PolarHBondContact O-N 3.08Å; W247-L251 HydrophobicContact CE3-CB 4.46Å; W247-L251 HydrophobicContact CE3-CD2 4.39Å; W247-L251 HydrophobicContact CH2-CD2 4.33Å; W247-L251 HydrophobicContact CZ3-CD2 3.69Å; W247-L251 WeakPolarHBondContact O-CB 3.19Å; W247-L251 PolarHBondContact O-N 3.49Å |
| 248 | Q | 92 | Very high | 87.2 | Confident | 129 Ų | 129 | 91.8 Ų | 91.8 | 60% | 0.603 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -66.5 | -41.6 | 179.5 | -65.4 | 178.6 | -21.5 | 0 | 0 | 112.2 | Y246 L251 S252 | Y246-Q248 VanDerWaalsContact C-N 3.25Å; Y246-Q248 PolarHBondContact O-N 2.9Å; Y246-Q248 VanDerWaalsContact O-N 3.15Å; Q248-L251 PolarHBondContact O-N 2.87Å; Q248-S252 WeakPolarHBondContact O-CB 3.36Å; Q248-S252 PolarHBondContact O-N 3.26Å |
| 249 | Y | 88.3 | Confident | 88.1 | Confident | 171 Ų | 171 | 95.3 Ų | 95.3 | 67% | 0.671 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -68.5 | -40.6 | 176.8 | -64.9 | -79 | 0 | 0 | 0 | 111.2 | Y246 S252 Y253 | Y246-Y249 HydrophobicContact CD1-CD2 4.04Å; Y246-Y249 HydrophobicContact CD1-CE2 4.37Å; Y246-Y249 PolarHBondContact O-N 2.83Å; Y246-Y249 VanDerWaalsContact O-N 3.09Å; Y249-S252 PolarHBondContact O-N 2.89Å; Y249-Y253 WeakPolarHBondContact O-CB 3.39Å; Y249-Y253 PolarHBondContact O-N 3.43Å |
| 250 | L | 87.9 | Confident | 88.9 | Confident | 42 Ų | 42 | 98.1 Ų | 98.1 | 22% | 0.22 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -61.1 | -46.3 | 174.7 | -177.9 | 65.1 | 0 | 0 | 0 | 111.2 | I242 W243 Y246 W247 Y253 V254 | I242-L250 HydrophobicContact CG2-CD2 4.48Å; W243-L250 HydrophobicContact CD2-CD2 4.34Å; W243-L250 HydrophobicContact CE3-CD2 3.64Å; W243-L250 HydrophobicContact CZ3-CD2 3.97Å; Y246-L250 PolarHBondContact O-N 3.23Å; Y246-L250 VanDerWaalsContact O-N 3.07Å; W247-L250 PolarHBondContact O-N 3.08Å; L250-Y253 PolarHBondContact O-N 3.27Å; L250-V254 WeakPolarHBondContact O-CG2 3.45Å; L250-V254 PolarHBondContact O-N 3.35Å |
| 251 | L | 90.8 | Very high | 89.9 | Confident | 79 Ų | 79 | 92 Ų | 92 | 41% | 0.414 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.7 | -46.6 | 177.8 | -178.1 | 66.1 | 0 | 0 | 0 | 111.5 | W247 Q248 Y253 V254 L255 | W247-L251 HydrophobicContact CE3-CB 4.46Å; W247-L251 HydrophobicContact CE3-CD2 4.39Å; W247-L251 HydrophobicContact CH2-CD2 4.33Å; W247-L251 HydrophobicContact CZ3-CD2 3.69Å; W247-L251 WeakPolarHBondContact O-CB 3.19Å; W247-L251 PolarHBondContact O-N 3.49Å; Q248-L251 PolarHBondContact O-N 2.87Å; L251-Y253 VanDerWaalsContact C-N 3.31Å; L251-Y253 PolarHBondContact O-N 2.92Å; L251-V254 PolarHBondContact O-N 3.32Å; L251-L255 HydrophobicContact CD1-CD1 4.14Å; L251-L255 HydrophobicContact CD1-CG 4.2Å; L251-L255 HydrophobicContact CD2-CD1 4.49Å; L251-L255 HydrophobicContact CG-CD1 3.93Å; L251-L255 HydrophobicContact CG-CG 4.38Å; L251-L255 WeakPolarHBondContact O-CB 3.23Å; L251-L255 WeakPolarHBondContact O-CG 3.46Å; L251-L255 PolarHBondContact O-N 2.76Å |
| 252 | S | 92.5 | Very high | 90.6 | Very high | 67 Ų | 67 | 91.2 Ų | 91.2 | 47% | 0.469 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59 | -42.9 | 177.4 | -178.9 | 0 | 0 | 0 | 0 | 111.8 | Q248 Y249 L255 T256 | Q248-S252 WeakPolarHBondContact O-CB 3.36Å; Q248-S252 PolarHBondContact O-N 3.26Å; Y249-S252 PolarHBondContact O-N 2.89Å; S252-L255 PolarHBondContact O-N 3.49Å; S252-T256 WeakPolarHBondContact O-CB 3.45Å; S252-T256 VanDerWaalsContact O-CG2 3.3Å; S252-T256 WeakPolarHBondContact O-CG2 3.29Å; S252-T256 PolarHBondContact O-N 2.82Å; S252-T256 PolarHBondContact O-OG1 3.01Å |
| 253 | Y | 92.3 | Very high | 91.2 | Very high | 46 Ų | 46 | 91 Ų | 91 | 18% | 0.18 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -61.1 | -51.2 | 175.4 | 170.2 | -104.6 | 0 | 0 | 0 | 112 | I196 S199 L200 I203 Y249 L250 L251 L255 T256 V257 | I196-Y253 HydrophobicContact CG2-CE1 3.95Å; I196-Y253 PolarHBondContact O-OH 3.17Å; S199-Y253 PolarHBondContact OG-OH 3.04Å; L200-Y253 VanDerWaalsContact CA-OH 3.29Å; L200-Y253 WeakPolarHBondContact CA-OH 3.04Å; L200-Y253 WeakPolarHBondContact CB-OH 3.3Å; L200-Y253 PolarHBondContact N-OH 3.44Å; I203-Y253 HydrophobicContact CD1-CD2 4.31Å; I203-Y253 HydrophobicContact CD1-CE2 3.57Å; Y249-Y253 WeakPolarHBondContact O-CB 3.39Å; Y249-Y253 PolarHBondContact O-N 3.43Å; L250-Y253 PolarHBondContact O-N 3.27Å; L251-Y253 VanDerWaalsContact C-N 3.31Å; L251-Y253 PolarHBondContact O-N 2.92Å; Y253-L255 VanDerWaalsContact C-N 3.32Å; Y253-L255 PolarHBondContact O-N 3.05Å; Y253-T256 PolarHBondContact O-N 3.25Å; Y253-T256 PolarHBondContact O-OG1 3.32Å; Y253-V257 HydrophobicContact CD2-CG2 3.75Å; Y253-V257 HydrophobicContact CE2-CB 4.34Å; Y253-V257 HydrophobicContact CE2-CG2 3.48Å; Y253-V257 VanDerWaalsContact CE2-CG2 3.48Å; Y253-V257 VanDerWaalsContact O-CB 3.28Å; Y253-V257 WeakPolarHBondContact O-CB 3.35Å; Y253-V257 WeakPolarHBondContact O-CG2 3.38Å; Y253-V257 PolarHBondContact O-N 2.89Å |
| 254 | V | 92.8 | Very high | 91.8 | Very high | 57 Ų | 57 | 86.4 Ų | 86.4 | 35% | 0.345 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.2 | -40.7 | -180 | 170.8 | 0 | 0 | 0 | 0 | 111.4 | I196 L250 L251 G258 | I196-V254 HydrophobicContact CD1-CG1 4.17Å; L250-V254 WeakPolarHBondContact O-CG2 3.45Å; L250-V254 PolarHBondContact O-N 3.35Å; L251-V254 PolarHBondContact O-N 3.32Å; V254-G258 WeakPolarHBondContact O-CA 3.24Å; V254-G258 PolarHBondContact O-N 3.15Å |
| 255 | L | 94.7 | Very high | 92.3 | Very high | 109 Ų | 109 | 78.4 Ų | 78.4 | 57% | 0.571 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -68.9 | -49.1 | 179.1 | -71.8 | 175.5 | 0 | 0 | 0 | 112.3 | L251 S252 Y253 F259 | L251-L255 HydrophobicContact CD1-CD1 4.14Å; L251-L255 HydrophobicContact CD1-CG 4.2Å; L251-L255 HydrophobicContact CD2-CD1 4.49Å; L251-L255 HydrophobicContact CG-CD1 3.93Å; L251-L255 HydrophobicContact CG-CG 4.38Å; L251-L255 WeakPolarHBondContact O-CB 3.23Å; L251-L255 WeakPolarHBondContact O-CG 3.46Å; L251-L255 PolarHBondContact O-N 2.76Å; S252-L255 PolarHBondContact O-N 3.49Å; Y253-L255 VanDerWaalsContact C-N 3.32Å; Y253-L255 PolarHBondContact O-N 3.05Å; L255-F259 VanDerWaalsContact O-CB 3.24Å; L255-F259 WeakPolarHBondContact O-CB 3.15Å; L255-F259 PolarHBondContact O-N 3.36Å |
| 256 | T | 94.3 | Very high | 92.5 | Very high | 78 Ų | 78 | 82.9 Ų | 82.9 | 48% | 0.479 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66 | -49.4 | -177.4 | 51.3 | 0 | 0 | 0 | 0 | 111.6 | S252 Y253 F259 M260 | S252-T256 WeakPolarHBondContact O-CB 3.45Å; S252-T256 VanDerWaalsContact O-CG2 3.3Å; S252-T256 WeakPolarHBondContact O-CG2 3.29Å; S252-T256 PolarHBondContact O-N 2.82Å; S252-T256 PolarHBondContact O-OG1 3.01Å; Y253-T256 PolarHBondContact O-N 3.25Å; Y253-T256 PolarHBondContact O-OG1 3.32Å; T256-F259 PolarHBondContact O-N 3.04Å; T256-M260 WeakPolarHBondContact O-CG 3.19Å; T256-M260 PolarHBondContact O-N 3.07Å |
| 257 | V | 95.4 | Very high | 92.8 | Very high | 24 Ų | 24 | 84.9 Ų | 84.9 | 15% | 0.145 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -70.6 | -38.1 | 178.1 | 172.2 | 0 | 0 | 0 | 0 | 111.6 | I196 S199 Y253 F259 M260 S261 | I196-V257 HydrophobicContact CB-CG1 4.46Å; I196-V257 HydrophobicContact CG1-CG1 4.01Å; S199-V257 WeakPolarHBondContact OG-CG1 3.38Å; Y253-V257 HydrophobicContact CD2-CG2 3.75Å; Y253-V257 HydrophobicContact CE2-CB 4.34Å; Y253-V257 HydrophobicContact CE2-CG2 3.48Å; Y253-V257 VanDerWaalsContact CE2-CG2 3.48Å; Y253-V257 VanDerWaalsContact O-CB 3.28Å; Y253-V257 WeakPolarHBondContact O-CB 3.35Å; Y253-V257 WeakPolarHBondContact O-CG2 3.38Å; Y253-V257 PolarHBondContact O-N 2.89Å; V257-F259 VanDerWaalsContact C-N 3.33Å; V257-F259 PolarHBondContact O-N 3.34Å; V257-M260 PolarHBondContact O-N 3.04Å; V257-S261 VanDerWaalsContact O-CB 3.27Å; V257-S261 WeakPolarHBondContact O-CB 3.49Å; V257-S261 PolarHBondContact O-N 3.49Å; V257-S261 PolarHBondContact O-OG 3.46Å |
| 258 | G | 94.8 | Very high | 92.8 | Very high | 10 Ų | 10 | 86.9 Ų | 86.9 | 10% | 0.103 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -59.5 | -45.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | V254 S261 F262 | V254-G258 WeakPolarHBondContact O-CA 3.24Å; V254-G258 PolarHBondContact O-N 3.15Å; G258-S261 PolarHBondContact O-N 3.23Å; G258-F262 WeakPolarHBondContact O-CB 3.35Å; G258-F262 PolarHBondContact O-N 3.36Å |
| 259 | F | 95.4 | Very high | 92.5 | Very high | 145 Ų | 145 | 81.6 Ų | 81.6 | 64% | 0.636 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -64.1 | -44.7 | 175.7 | -174.4 | -99.5 | 0 | 0 | 0 | 112.5 | L255 T256 V257 S261 F262 A263 | L255-F259 VanDerWaalsContact O-CB 3.24Å; L255-F259 WeakPolarHBondContact O-CB 3.15Å; L255-F259 PolarHBondContact O-N 3.36Å; T256-F259 PolarHBondContact O-N 3.04Å; V257-F259 VanDerWaalsContact C-N 3.33Å; V257-F259 PolarHBondContact O-N 3.34Å; F259-S261 VanDerWaalsContact C-N 3.35Å; F259-S261 PolarHBondContact O-N 3Å; F259-F262 WeakPolarHBondContact O-CB 3.39Å; F259-F262 PolarHBondContact O-N 3.34Å; F259-A263 PolarHBondContact O-N 3.01Å |
| 260 | M | 95.1 | Very high | 92.4 | Very high | 121 Ų | 121 | 75.3 Ų | 75.3 | 60% | 0.596 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -62.2 | -42.7 | 175.5 | -71.3 | -60.5 | -66.4 | 0 | 0 | 112 | T256 V257 F262 A263 V264 | T256-M260 WeakPolarHBondContact O-CG 3.19Å; T256-M260 PolarHBondContact O-N 3.07Å; V257-M260 PolarHBondContact O-N 3.04Å; M260-F262 VanDerWaalsContact C-N 3.34Å; M260-A263 PolarHBondContact O-N 3.27Å; M260-V264 VanDerWaalsContact O-CG2 3.31Å; M260-V264 WeakPolarHBondContact O-CG2 3.5Å; M260-V264 PolarHBondContact O-N 2.78Å |
| 261 | S | 95.4 | Very high | 92 | Very high | 16 Ų | 16 | 76.5 Ų | 76.5 | 11% | 0.112 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -64.8 | -40.3 | 176.8 | -57.1 | 0 | 0 | 0 | 0 | 111 | V257 G258 F259 V264 C265 | V257-S261 VanDerWaalsContact O-CB 3.27Å; V257-S261 WeakPolarHBondContact O-CB 3.49Å; V257-S261 PolarHBondContact O-N 3.49Å; V257-S261 PolarHBondContact O-OG 3.46Å; G258-S261 PolarHBondContact O-N 3.23Å; F259-S261 VanDerWaalsContact C-N 3.35Å; F259-S261 PolarHBondContact O-N 3Å; S261-V264 PolarHBondContact O-N 3.42Å; S261-C265 WeakPolarHBondContact O-CB 3.48Å; S261-C265 PolarHBondContact O-N 3.37Å; S261-C265 PolarHBondContact O-SG 2.89Å |
| 262 | F | 94.5 | Very high | 91.7 | Very high | 76 Ų | 76 | 80.7 Ų | 80.7 | 33% | 0.333 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.8 | -46.8 | 173.5 | -179.4 | -101.1 | 0 | 0 | 0 | 111.7 | Y188 M192 G258 F259 M260 V264 C265 Y266 | Y188-F262 HydrophobicContact CD1-CD2 4.36Å; Y188-F262 HydrophobicContact CD1-CE2 4.06Å; Y188-F262 HydrophobicContact CG-CE2 4.11Å; M192-F262 HydrophobicContact CG-CB 3.99Å; M192-F262 HydrophobicContact CG-CD2 4.47Å; M192-F262 HydrophobicContact SD-CB 3.81Å; M192-F262 HydrophobicContact SD-CD2 3.92Å; M192-F262 HydrophobicContact SD-CG 4.27Å; G258-F262 WeakPolarHBondContact O-CB 3.35Å; G258-F262 PolarHBondContact O-N 3.36Å; F259-F262 WeakPolarHBondContact O-CB 3.39Å; F259-F262 PolarHBondContact O-N 3.34Å; M260-F262 VanDerWaalsContact C-N 3.34Å; F262-V264 VanDerWaalsContact C-N 3.29Å; F262-V264 PolarHBondContact O-N 3.26Å; F262-C265 PolarHBondContact O-N 3.45Å; F262-Y266 HydrophobicContact CZ-CD2 4.33Å; F262-Y266 VanDerWaalsContact O-CB 3.24Å; F262-Y266 WeakPolarHBondContact O-CB 3.44Å; F262-Y266 PolarHBondContact O-N 3.31Å |
| 263 | A | 93.8 | Very high | 91.4 | Very high | 44 Ų | 44 | 83.2 Ų | 83.2 | 36% | 0.364 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.2 | -39.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | F259 M260 K267 | F259-A263 PolarHBondContact O-N 3.01Å; M260-A263 PolarHBondContact O-N 3.27Å; A263-K267 WeakPolarHBondContact O-CB 3.38Å; A263-K267 PolarHBondContact O-N 3.35Å |
| 264 | V | 93.7 | Very high | 91.3 | Very high | 74 Ų | 74 | 88.4 Ų | 88.4 | 45% | 0.448 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.2 | -51.1 | 175 | 174.8 | 0 | 0 | 0 | 0 | 110.7 | M260 S261 F262 Y266 K267 Y268 | M260-V264 VanDerWaalsContact O-CG2 3.31Å; M260-V264 WeakPolarHBondContact O-CG2 3.5Å; M260-V264 PolarHBondContact O-N 2.78Å; S261-V264 PolarHBondContact O-N 3.42Å; F262-V264 VanDerWaalsContact C-N 3.29Å; F262-V264 PolarHBondContact O-N 3.26Å; V264-Y266 VanDerWaalsContact C-N 3.28Å; V264-Y266 PolarHBondContact O-N 3.3Å; V264-K267 WeakPolarHBondContact O-CB 3.49Å; V264-K267 PolarHBondContact O-N 3.46Å; V264-Y268 HydrophobicContact CG1-CD2 3.79Å; V264-Y268 HydrophobicContact CG1-CE2 3.56Å; V264-Y268 WeakPolarHBondContact O-CD2 3.23Å; V264-Y268 PolarHBondContact O-N 2.84Å; V264-Y268 VanDerWaalsContact O-N 3.15Å |
| 265 | C | 91.9 | Very high | 91.1 | Very high | 17 Ų | 17 | 96.3 Ų | 96.3 | 12% | 0.115 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -61.5 | -35.2 | 177.3 | -69.3 | 0 | 0 | 0 | 0 | 112.8 | Y187 Y188 S261 F262 Y268 G269 | Y187-C265 HydrophobicContact CE1-CB 4.35Å; Y188-C265 HydrophobicContact CD1-CB 4.11Å; S261-C265 WeakPolarHBondContact O-CB 3.48Å; S261-C265 PolarHBondContact O-N 3.37Å; S261-C265 PolarHBondContact O-SG 2.89Å; F262-C265 PolarHBondContact O-N 3.45Å; C265-Y268 PolarHBondContact O-N 3.4Å; C265-G269 PolarHBondContact O-N 2.92Å |
| 266 | Y | 92.5 | Very high | 90.8 | Very high | 159 Ų | 159 | 92.6 Ų | 92.6 | 62% | 0.624 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -66.5 | -39.4 | 176 | -172.8 | -95.1 | 0 | 0 | 0 | 111.7 | Y188 F262 V264 G269 | Y188-Y266 HydrophobicContact CE1-CD2 4.49Å; F262-Y266 HydrophobicContact CZ-CD2 4.33Å; F262-Y266 VanDerWaalsContact O-CB 3.24Å; F262-Y266 WeakPolarHBondContact O-CB 3.44Å; F262-Y266 PolarHBondContact O-N 3.31Å; V264-Y266 VanDerWaalsContact C-N 3.28Å; V264-Y266 PolarHBondContact O-N 3.3Å; Y266-G269 PolarHBondContact O-N 2.97Å |
| 267 | K | 93.1 | Very high | 90.6 | Very high | 178 Ų | 178 | 90 Ų | 90 | 77% | 0.774 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -65.6 | -39.6 | 176.5 | -175.9 | 179.2 | 178.8 | -179.6 | 0 | 112.9 | A263 V264 | A263-K267 WeakPolarHBondContact O-CB 3.38Å; A263-K267 PolarHBondContact O-N 3.35Å; V264-K267 WeakPolarHBondContact O-CB 3.49Å; V264-K267 PolarHBondContact O-N 3.46Å |
| 268 | Y | 88.1 | Confident | 90.4 | Very high | 183 Ų | 183 | 92.4 Ų | 92.4 | 72% | 0.718 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -76.7 | -25.8 | 178.8 | -73.5 | -70.2 | 0 | 0 | 0 | 113.1 | V264 C265 | V264-Y268 HydrophobicContact CG1-CD2 3.79Å; V264-Y268 HydrophobicContact CG1-CE2 3.56Å; V264-Y268 WeakPolarHBondContact O-CD2 3.23Å; V264-Y268 PolarHBondContact O-N 2.84Å; V264-Y268 VanDerWaalsContact O-N 3.15Å; C265-Y268 PolarHBondContact O-N 3.4Å |
| 269 | G | 85.5 | Confident | 90.3 | Very high | 18 Ų | 18 | 97.5 Ų | 97.5 | 19% | 0.186 | 47% | 0.469 | C | S | . | . | trans | 78.3 | 162 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y187 C265 Y266 | Y187-G269 WeakPolarHBondContact CE1-O 3.34Å; Y187-G269 PolarHBondContact OH-O 3.49Å; C265-G269 PolarHBondContact O-N 2.92Å; Y266-G269 PolarHBondContact O-N 2.97Å | ||
| 270 | P | 86.1 | Confident | 90.1 | Very high | 39 Ų | 39 | 92.6 Ų | 92.6 | 25% | 0.253 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -67.1 | 161.7 | 177.4 | 28.8 | -32.9 | 0 | 0 | 0 | 112 | Y187 E272 | Y187-P270 HydrophobicContact CD1-CB 4.27Å; Y187-P270 HydrophobicContact CG-CB 4.42Å; P270-E272 PolarHBondContact O-N 3.5Å; P270-E272 VanDerWaalsContact O-N 3.08Å |
| 271 | L | 80.5 | Confident | 90 | Very high | 66 Ų | 66 | 87.1 Ų | 87.1 | 35% | 0.346 | 42% | 0.422 | S | S | . | . | trans | -66.6 | 105.6 | -179.6 | -66.1 | 147.2 | 0 | 0 | 0 | 110.5 | Y187 S276 I277 L280 | Y187-L271 HydrophobicContact CD2-CD1 3.69Å; Y187-L271 HydrophobicContact CD2-CG 3.95Å; Y187-L271 HydrophobicContact CE2-CD1 3.92Å; Y187-L271 HydrophobicContact CE2-CG 3.79Å; L271-S276 WeakPolarHBondContact CD2-OG 3.48Å; L271-I277 HydrophobicContact CB-CG1 4.18Å; L271-I277 WeakPolarHBondContact O-CD1 3.29Å; L271-L280 HydrophobicContact CD1-CD2 3.66Å | ||
| 272 | E | 82.9 | Confident | 89.9 | Confident | 168 Ų | 168 | 94.8 Ų | 94.8 | 79% | 0.785 | 45% | 0.449 | S | S | * | . | trans | -90 | -27.7 | 176.3 | -69.8 | 178.3 | 177.9 | 0 | 0 | 113 | P270 E274 | P270-E272 PolarHBondContact O-N 3.5Å; P270-E272 VanDerWaalsContact O-N 3.08Å; E272-E274 PolarHBondContact O-N 2.92Å | ||
| 273 | N | 86.6 | Confident | 89.8 | Confident | 120 Ų | 120 | 94.4 Ų | 94.4 | 64% | 0.642 | 45% | 0.453 | S | S | * | . | trans | -72.9 | 120.1 | -176.1 | -65.8 | -57.6 | 0 | 0 | 0 | 111 | R275 S276 I277 | N273-R275 PolarHBondContact O-N 2.83Å; N273-R275 VanDerWaalsContact O-N 3.12Å; N273-S276 WeakPolarHBondContact O-CA 3.37Å; N273-S276 WeakPolarHBondContact O-CB 3.44Å; N273-S276 PolarHBondContact O-N 2.96Å; N273-S276 PolarHBondContact O-OG 3.38Å; N273-I277 PolarHBondContact O-N 3.18Å; N273-I277 VanDerWaalsContact O-N 3.07Å | ||
| 274 | E | 89.6 | Confident | 89.8 | Confident | 155 Ų | 155 | 92.9 Ų | 92.9 | 72% | 0.724 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -51.9 | -39.1 | 177.3 | -66.8 | -170.5 | 165.4 | 0 | 0 | 113 | E272 S276 I277 N278 | E272-E274 PolarHBondContact O-N 2.92Å; E274-S276 VanDerWaalsContact C-N 3.28Å; E274-S276 PolarHBondContact O-N 3.07Å; E274-I277 PolarHBondContact O-N 2.96Å; E274-N278 WeakPolarHBondContact O-CB 3.5Å; E274-N278 VanDerWaalsContact O-CG 3.24Å; E274-N278 PolarHBondContact O-N 3.44Å |
| 275 | R | 90.4 | Very high | 89.8 | Confident | 223 Ų | 223 | 90.6 Ų | 90.6 | 84% | 0.842 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -58.5 | -40.7 | 176.1 | -176.2 | 176.8 | 179.6 | 167 | 1 | 112.4 | N273 L279 | N273-R275 PolarHBondContact O-N 2.83Å; N273-R275 VanDerWaalsContact O-N 3.12Å; R275-L279 WeakPolarHBondContact O-CB 3.49Å; R275-L279 PolarHBondContact O-N 2.98Å |
| 276 | S | 88.2 | Confident | 89.9 | Confident | 30 Ų | 30 | 95.7 Ų | 95.7 | 21% | 0.21 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -75.5 | -36.8 | -178.9 | 70.2 | 0 | 0 | 0 | 0 | 112.1 | L271 N273 E274 L279 L280 | L271-S276 WeakPolarHBondContact CD2-OG 3.48Å; N273-S276 WeakPolarHBondContact O-CA 3.37Å; N273-S276 WeakPolarHBondContact O-CB 3.44Å; N273-S276 PolarHBondContact O-N 2.96Å; N273-S276 PolarHBondContact O-OG 3.38Å; E274-S276 VanDerWaalsContact C-N 3.28Å; E274-S276 PolarHBondContact O-N 3.07Å; S276-L279 PolarHBondContact O-N 3.15Å; S276-L280 WeakPolarHBondContact O-CB 3.27Å; S276-L280 PolarHBondContact O-N 3.45Å |
| 277 | I | 89.8 | Confident | 89.9 | Confident | 24 Ų | 24 | 92.4 Ų | 92.4 | 12% | 0.123 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -62.7 | -45.6 | 172.1 | -63 | 170.8 | 0 | 0 | 0 | 110 | R182 L271 N273 E274 L280 T281 | R182-I277 HydrophobicContact CG-CG2 3.88Å; L271-I277 HydrophobicContact CB-CG1 4.18Å; L271-I277 WeakPolarHBondContact O-CD1 3.29Å; N273-I277 PolarHBondContact O-N 3.18Å; N273-I277 VanDerWaalsContact O-N 3.07Å; E274-I277 PolarHBondContact O-N 2.96Å; I277-L280 PolarHBondContact O-N 2.92Å; I277-T281 WeakPolarHBondContact O-CB 3.41Å; I277-T281 PolarHBondContact O-N 2.95Å; I277-T281 PolarHBondContact O-OG1 3.38Å |
| 278 | N | 91 | Very high | 89.9 | Confident | 75 Ų | 75 | 84 Ų | 84 | 40% | 0.401 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.6 | -49 | 176.2 | -71.4 | -13.2 | 0 | 0 | 0 | 110.1 | E274 L280 T281 W282 | E274-N278 WeakPolarHBondContact O-CB 3.5Å; E274-N278 VanDerWaalsContact O-CG 3.24Å; E274-N278 PolarHBondContact O-N 3.44Å; N278-L280 VanDerWaalsContact C-N 3.32Å; N278-L280 PolarHBondContact O-N 3.45Å; N278-T281 WeakPolarHBondContact O-CA 3.49Å; N278-T281 VanDerWaalsContact O-CB 3.29Å; N278-T281 WeakPolarHBondContact O-CB 3.49Å; N278-T281 PolarHBondContact O-N 3.5Å; N278-W282 PolarHBondContact O-N 2.83Å |
| 279 | L | 92.4 | Very high | 90.1 | Very high | 117 Ų | 117 | 76.8 Ų | 76.8 | 61% | 0.613 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -55.4 | -46.2 | 177.5 | -170.9 | 72.7 | 0 | 0 | 0 | 112.1 | R275 S276 T281 W282 T283 | R275-L279 WeakPolarHBondContact O-CB 3.49Å; R275-L279 PolarHBondContact O-N 2.98Å; S276-L279 PolarHBondContact O-N 3.15Å; L279-T281 VanDerWaalsContact C-N 3.31Å; L279-T281 PolarHBondContact O-N 3.37Å; L279-W282 PolarHBondContact O-N 3.16Å; L279-T283 WeakPolarHBondContact O-CG2 3.42Å; L279-T283 PolarHBondContact O-N 3.06Å; L279-T283 PolarHBondContact O-OG1 3.16Å |
| 280 | L | 91.1 | Very high | 90.4 | Very high | 42 Ų | 42 | 79.4 Ų | 79.4 | 22% | 0.22 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.5 | -38.9 | 176.1 | -179.4 | 62.6 | 0 | 0 | 0 | 111.9 | F186 L271 S276 I277 N278 T283 L284 | F186-L280 HydrophobicContact CE1-CD2 4.41Å; L271-L280 HydrophobicContact CD1-CD2 3.66Å; S276-L280 WeakPolarHBondContact O-CB 3.27Å; S276-L280 PolarHBondContact O-N 3.45Å; I277-L280 PolarHBondContact O-N 2.92Å; N278-L280 VanDerWaalsContact C-N 3.32Å; N278-L280 PolarHBondContact O-N 3.45Å; L280-T283 WeakPolarHBondContact CA-OG1 3.36Å; L280-T283 PolarHBondContact O-N 3.24Å; L280-T283 PolarHBondContact O-OG1 3.03Å; L280-L284 HydrophobicContact CD1-CD1 4.29Å; L280-L284 HydrophobicContact CD1-CG 4.24Å; L280-L284 HydrophobicContact CG-CD1 4.03Å; L280-L284 HydrophobicContact CG-CG 4.41Å; L280-L284 WeakPolarHBondContact O-CB 3.25Å; L280-L284 VanDerWaalsContact O-CG 3.22Å; L280-L284 WeakPolarHBondContact O-CG 3.45Å; L280-L284 PolarHBondContact O-N 2.96Å |
| 281 | T | 92.1 | Very high | 90.6 | Very high | 6 Ų | 6 | 80.3 Ų | 80.3 | 4% | 0.037 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62.3 | -48.2 | 176.2 | -58.5 | 0 | 0 | 0 | 0 | 110.9 | D178 S181 I277 N278 L279 T283 L284 Q285 | D178-T281 WeakPolarHBondContact OD1-CG2 3.21Å; S181-T281 WeakPolarHBondContact CB-OG1 3.42Å; S181-T281 PolarHBondContact OG-OG1 3.4Å; I277-T281 WeakPolarHBondContact O-CB 3.41Å; I277-T281 PolarHBondContact O-N 2.95Å; I277-T281 PolarHBondContact O-OG1 3.38Å; N278-T281 WeakPolarHBondContact O-CA 3.49Å; N278-T281 VanDerWaalsContact O-CB 3.29Å; N278-T281 WeakPolarHBondContact O-CB 3.49Å; N278-T281 PolarHBondContact O-N 3.5Å; L279-T281 VanDerWaalsContact C-N 3.31Å; L279-T281 PolarHBondContact O-N 3.37Å; T281-T283 VanDerWaalsContact C-N 3.33Å; T281-T283 PolarHBondContact O-N 3.44Å; T281-L284 PolarHBondContact O-N 3.41Å; T281-Q285 HydrophobicContact CG2-CG 4.47Å; T281-Q285 WeakPolarHBondContact O-CB 3.41Å; T281-Q285 WeakPolarHBondContact O-CG 3.41Å; T281-Q285 PolarHBondContact O-N 2.91Å |
| 282 | W | 93.3 | Very high | 91.1 | Very high | 177 Ų | 177 | 77.2 Ų | 77.2 | 67% | 0.67 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -61.1 | -40.9 | 176.5 | -73 | 103.3 | 0 | 0 | 0 | 111.8 | N278 L279 Q285 L286 | N278-W282 PolarHBondContact O-N 2.83Å; L279-W282 PolarHBondContact O-N 3.16Å; W282-Q285 PolarHBondContact O-N 2.83Å; W282-L286 VanDerWaalsContact O-CB 3.26Å; W282-L286 WeakPolarHBondContact O-CB 3.31Å; W282-L286 PolarHBondContact O-N 3.29Å |
| 283 | T | 93.6 | Very high | 91.4 | Very high | 67 Ų | 67 | 73 Ų | 73 | 41% | 0.411 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -68.6 | -41 | 178.6 | 58 | 0 | 0 | 0 | 0 | 112.1 | L279 L280 T281 L286 M287 | L279-T283 WeakPolarHBondContact O-CG2 3.42Å; L279-T283 PolarHBondContact O-N 3.06Å; L279-T283 PolarHBondContact O-OG1 3.16Å; L280-T283 WeakPolarHBondContact CA-OG1 3.36Å; L280-T283 PolarHBondContact O-N 3.24Å; L280-T283 PolarHBondContact O-OG1 3.03Å; T281-T283 VanDerWaalsContact C-N 3.33Å; T281-T283 PolarHBondContact O-N 3.44Å; T283-L286 PolarHBondContact O-N 3.16Å; T283-M287 VanDerWaalsContact O-CB 3.25Å; T283-M287 WeakPolarHBondContact O-CB 3.18Å; T283-M287 PolarHBondContact O-N 3.24Å |
| 284 | L | 92.6 | Very high | 91.3 | Very high | 12 Ų | 12 | 68.3 Ų | 68.3 | 6% | 0.063 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64 | -42.1 | 174.9 | -70.4 | 171.3 | 0 | 0 | 0 | 111.7 | L173 L180 F186 L280 T281 M287 G288 | L173-L284 HydrophobicContact CD2-CD2 4.17Å; L180-L284 HydrophobicContact CB-CD1 4.21Å; F186-L284 HydrophobicContact CE1-CD1 3.79Å; F186-L284 HydrophobicContact CE1-CD2 4.18Å; F186-L284 HydrophobicContact CZ-CD1 4.06Å; F186-L284 HydrophobicContact CZ-CD2 3.73Å; L280-L284 HydrophobicContact CD1-CD1 4.29Å; L280-L284 HydrophobicContact CD1-CG 4.24Å; L280-L284 HydrophobicContact CG-CD1 4.03Å; L280-L284 HydrophobicContact CG-CG 4.41Å; L280-L284 WeakPolarHBondContact O-CB 3.25Å; L280-L284 VanDerWaalsContact O-CG 3.22Å; L280-L284 WeakPolarHBondContact O-CG 3.45Å; L280-L284 PolarHBondContact O-N 2.96Å; T281-L284 PolarHBondContact O-N 3.41Å; L284-M287 PolarHBondContact O-N 3.03Å; L284-G288 PolarHBondContact O-N 3.48Å |
| 285 | Q | 93.9 | Very high | 91 | Very high | 26 Ų | 26 | 60.9 Ų | 60.9 | 12% | 0.121 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.5 | -45.2 | 176.5 | -71.6 | 174.5 | 13.4 | 0 | 0 | 111.7 | F174 D178 T281 W282 M287 G288 L289 | F174-Q285 HydrophobicContact CD2-CB 4.08Å; F174-Q285 HydrophobicContact CD2-CG 4.36Å; F174-Q285 HydrophobicContact CE2-CB 4.41Å; D178-Q285 PolarHBondContact OD2-NE2 2.97Å; T281-Q285 HydrophobicContact CG2-CG 4.47Å; T281-Q285 WeakPolarHBondContact O-CB 3.41Å; T281-Q285 WeakPolarHBondContact O-CG 3.41Å; T281-Q285 PolarHBondContact O-N 2.91Å; W282-Q285 PolarHBondContact O-N 2.83Å; Q285-M287 VanDerWaalsContact C-N 3.32Å; Q285-M287 PolarHBondContact O-N 3.44Å; Q285-G288 WeakPolarHBondContact O-CA 3.42Å; Q285-G288 PolarHBondContact O-N 3.46Å; Q285-G288 VanDerWaalsContact O-N 3.15Å; Q285-L289 WeakPolarHBondContact O-CG 3.22Å; Q285-L289 PolarHBondContact O-N 2.89Å |
| 286 | L | 93.9 | Very high | 90.7 | Very high | 124 Ų | 124 | 50.7 Ų | 50.7 | 65% | 0.649 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -62 | -41.5 | 176.5 | -176.3 | 67.4 | 0 | 0 | 0 | 111.5 | W282 T283 G288 L289 C290 | W282-L286 VanDerWaalsContact O-CB 3.26Å; W282-L286 WeakPolarHBondContact O-CB 3.31Å; W282-L286 PolarHBondContact O-N 3.29Å; T283-L286 PolarHBondContact O-N 3.16Å; L286-G288 VanDerWaalsContact C-N 3.34Å; L286-L289 PolarHBondContact O-N 3.12Å; L286-C290 PolarHBondContact O-N 3.5Å |
| 287 | M | 92.3 | Very high | 90.1 | Very high | 91 Ų | 91 | 51.9 Ų | 51.9 | 45% | 0.448 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.5 | -41 | 173.9 | -172 | -178.1 | -61.2 | 0 | 0 | 111.4 | L173 T283 L284 Q285 L289 C290 F291 | L173-M287 HydrophobicContact CD1-CG 4.49Å; L173-M287 HydrophobicContact CD1-SD 4.47Å; T283-M287 VanDerWaalsContact O-CB 3.25Å; T283-M287 WeakPolarHBondContact O-CB 3.18Å; T283-M287 PolarHBondContact O-N 3.24Å; L284-M287 PolarHBondContact O-N 3.03Å; Q285-M287 VanDerWaalsContact C-N 3.32Å; Q285-M287 PolarHBondContact O-N 3.44Å; M287-L289 PolarHBondContact O-N 3.33Å; M287-C290 WeakPolarHBondContact O-CB 3.34Å; M287-C290 PolarHBondContact O-N 3.1Å; M287-F291 HydrophobicContact CG-CD2 4.44Å; M287-F291 HydrophobicContact CG-CE1 4.48Å; M287-F291 HydrophobicContact CG-CE2 4.02Å; M287-F291 HydrophobicContact CG-CZ 4.04Å; M287-F291 PolarHBondContact O-N 2.92Å; M287-F291 HydrophobicContact SD-CE2 4.23Å; M287-F291 HydrophobicContact SD-CZ 4.26Å |
| 288 | G | 93.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.2 | -46.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | G170 L284 Q285 L286 C290 F291 M292 | G170-G288 WeakPolarHBondContact CA-O 3.4Å; G170-G288 WeakPolarHBondContact O-CA 3.2Å; L284-G288 PolarHBondContact O-N 3.48Å; Q285-G288 WeakPolarHBondContact O-CA 3.42Å; Q285-G288 PolarHBondContact O-N 3.46Å; Q285-G288 VanDerWaalsContact O-N 3.15Å; L286-G288 VanDerWaalsContact C-N 3.34Å; G288-C290 VanDerWaalsContact C-N 3.35Å; G288-C290 PolarHBondContact O-N 3.27Å; G288-F291 PolarHBondContact O-N 3Å; G288-M292 WeakPolarHBondContact O-CG 3.41Å; G288-M292 PolarHBondContact O-N 2.77Å |
| 289 | L | 93.3 | Very high | 88.9 | Confident | 33 Ų | 33 | 49.7 Ų | 49.7 | 17% | 0.173 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.4 | -41.4 | 175.2 | -67.6 | 178.1 | 0 | 0 | 0 | 112.3 | F174 Q285 L286 M287 M292 Y293 I306 L310 | F174-L289 HydrophobicContact CD2-CD1 4.47Å; F174-L289 HydrophobicContact CD2-CD2 3.69Å; F174-L289 HydrophobicContact CD2-CG 3.8Å; F174-L289 HydrophobicContact CE2-CD1 4.19Å; F174-L289 HydrophobicContact CE2-CD2 3.73Å; F174-L289 HydrophobicContact CE2-CG 3.96Å; F174-L289 HydrophobicContact CG-CD2 4.37Å; F174-L289 HydrophobicContact CZ-CD2 4.45Å; Q285-L289 WeakPolarHBondContact O-CG 3.22Å; Q285-L289 PolarHBondContact O-N 2.89Å; L286-L289 PolarHBondContact O-N 3.12Å; M287-L289 PolarHBondContact O-N 3.33Å; L289-M292 HydrophobicContact CD2-SD 4.48Å; L289-M292 PolarHBondContact O-N 3.01Å; L289-Y293 WeakPolarHBondContact O-CB 3.12Å; L289-Y293 PolarHBondContact O-N 3.45Å; L289-I306 HydrophobicContact CD2-CG1 4.27Å; L289-I306 HydrophobicContact CD2-CG2 3.89Å; L289-L310 HydrophobicContact CD1-CD2 4.5Å |
| 290 | C | 90.8 | Very high | 88.4 | Confident | 72 Ų | 72 | 50.7 Ų | 50.7 | 49% | 0.486 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 176.2 | -174.4 | 0 | 0 | 0 | 0 | 112 | L286 M287 G288 Y293 S294 | L286-C290 PolarHBondContact O-N 3.5Å; M287-C290 WeakPolarHBondContact O-CB 3.34Å; M287-C290 PolarHBondContact O-N 3.1Å; G288-C290 VanDerWaalsContact C-N 3.35Å; G288-C290 PolarHBondContact O-N 3.27Å; C290-Y293 PolarHBondContact O-N 2.81Å; C290-S294 WeakPolarHBondContact O-CB 3.46Å; C290-S294 PolarHBondContact O-N 3.34Å; C290-S294 PolarHBondContact O-OG 2.81Å |
| 291 | F | 90.2 | Very high | 88.1 | Confident | 59 Ų | 59 | 50.5 Ų | 50.5 | 26% | 0.259 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -69.2 | -37.9 | 175.4 | -72.3 | -11.7 | 0 | 0 | 0 | 112.8 | V166 L169 L173 M287 G288 Y293 S294 G295 | V166-F291 HydrophobicContact CG1-CB 4.17Å; V166-F291 HydrophobicContact CG1-CG 4.48Å; L169-F291 HydrophobicContact CD2-CD2 3.97Å; L169-F291 HydrophobicContact CD2-CE2 3.82Å; L169-F291 HydrophobicContact CG-CD2 4.13Å; L169-F291 HydrophobicContact CG-CE2 4.35Å; L173-F291 HydrophobicContact CD1-CD2 3.8Å; L173-F291 HydrophobicContact CD1-CE2 3.89Å; M287-F291 HydrophobicContact CG-CD2 4.44Å; M287-F291 HydrophobicContact CG-CE1 4.48Å; M287-F291 HydrophobicContact CG-CE2 4.02Å; M287-F291 HydrophobicContact CG-CZ 4.04Å; M287-F291 PolarHBondContact O-N 2.92Å; M287-F291 HydrophobicContact SD-CE2 4.23Å; M287-F291 HydrophobicContact SD-CZ 4.26Å; G288-F291 PolarHBondContact O-N 3Å; F291-Y293 VanDerWaalsContact C-N 3.33Å; F291-Y293 PolarHBondContact O-N 3.1Å; F291-S294 PolarHBondContact O-N 3.26Å; F291-G295 PolarHBondContact O-N 3.48Å |
| 292 | M | 91.1 | Very high | 87.9 | Confident | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.6 | -44.3 | 173.2 | -73.9 | 176.2 | 64.2 | 0 | 0 | 111.4 | F167 L171 F174 G288 L289 G295 I305 I306 A309 | F167-M292 HydrophobicContact CD2-CB 4.26Å; F167-M292 HydrophobicContact CD2-CG 4.26Å; F167-M292 HydrophobicContact CE2-CB 4.25Å; F167-M292 HydrophobicContact CE2-CE 4.08Å; F167-M292 HydrophobicContact CE2-CG 4.15Å; F167-M292 HydrophobicContact CZ-CE 4.48Å; L171-M292 HydrophobicContact CD1-CE 4.21Å; L171-M292 HydrophobicContact CD1-SD 4.39Å; F174-M292 HydrophobicContact CB-SD 4.42Å; G288-M292 WeakPolarHBondContact O-CG 3.41Å; G288-M292 PolarHBondContact O-N 2.77Å; L289-M292 HydrophobicContact CD2-SD 4.48Å; L289-M292 PolarHBondContact O-N 3.01Å; M292-G295 PolarHBondContact O-N 3.09Å; M292-I305 HydrophobicContact CE-CG2 3.66Å; M292-I306 HydrophobicContact CB-CG1 4.4Å; M292-I306 HydrophobicContact CE-CG1 4.42Å; M292-A309 HydrophobicContact CE-CB 4Å |
| 293 | Y | 89.4 | Confident | 87.7 | Confident | 78 Ų | 78 | 46 Ų | 46 | 31% | 0.306 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.7 | -44.5 | 175.4 | -176.4 | -112.2 | 0 | 0 | 0 | 112 | F110 L289 C290 F291 G295 I296 P299 A302 I306 | F110-Y293 HydrophobicContact CE1-CD1 4.2Å; F110-Y293 AromaticContact CE1-CE1 3.59Å; F110-Y293 HydrophobicContact CE1-CE1 3.59Å; F110-Y293 HydrophobicContact CE2-CE1 4.4Å; F110-Y293 HydrophobicContact CZ-CD1 4.27Å; F110-Y293 AromaticContact CZ-CE1 3.29Å; F110-Y293 HydrophobicContact CZ-CE1 3.29Å; F110-Y293 AromaticContact CZ-CZ 3.78Å; L289-Y293 WeakPolarHBondContact O-CB 3.12Å; L289-Y293 PolarHBondContact O-N 3.45Å; C290-Y293 PolarHBondContact O-N 2.81Å; F291-Y293 VanDerWaalsContact C-N 3.33Å; F291-Y293 PolarHBondContact O-N 3.1Å; Y293-G295 VanDerWaalsContact C-N 3.35Å; Y293-G295 PolarHBondContact O-N 3.49Å; Y293-I296 PolarHBondContact O-N 3.24Å; Y293-I296 VanDerWaalsContact O-O 3.12Å; Y293-P299 HydrophobicContact CE2-CB 4.44Å; Y293-A302 HydrophobicContact CD2-CB 3.83Å; Y293-A302 HydrophobicContact CE2-CB 4.34Å; Y293-I306 HydrophobicContact CD2-CD1 4.41Å |
| 294 | S | 83.4 | Confident | 87.6 | Confident | 22 Ų | 22 | 45 Ų | 45 | 15% | 0.154 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -74 | -23.9 | -178.4 | -54.4 | 0 | 0 | 0 | 0 | 113.6 | C290 F291 I296 | C290-S294 WeakPolarHBondContact O-CB 3.46Å; C290-S294 PolarHBondContact O-N 3.34Å; C290-S294 PolarHBondContact O-OG 2.81Å; F291-S294 PolarHBondContact O-N 3.26Å; S294-I296 VanDerWaalsContact C-N 3.29Å |
| 295 | G | 84.5 | Confident | 87.5 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -77 | -13.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | F291 M292 Y293 | F291-G295 PolarHBondContact O-N 3.48Å; M292-G295 PolarHBondContact O-N 3.09Å; Y293-G295 VanDerWaalsContact C-N 3.35Å; Y293-G295 PolarHBondContact O-N 3.49Å |
| 296 | I | 83.9 | Confident | 87.4 | Confident | 9 Ų | 9 | 46.1 Ų | 46.1 | 5% | 0.046 | 24% | 0.244 | C | C | . | . | trans | -115.6 | 124.9 | -178.9 | -64.2 | 165.4 | 0 | 0 | 0 | 109.2 | I79 F167 Y293 S294 I298 A302 I305 | I79-I296 HydrophobicContact CG2-CG1 4.02Å; I79-I296 HydrophobicContact CG2-CG2 4.02Å; F167-I296 HydrophobicContact CD2-CD1 3.72Å; F167-I296 HydrophobicContact CD2-CG1 3.9Å; F167-I296 HydrophobicContact CE2-CD1 3.57Å; F167-I296 HydrophobicContact CE2-CG1 4.26Å; Y293-I296 PolarHBondContact O-N 3.24Å; Y293-I296 VanDerWaalsContact O-O 3.12Å; S294-I296 VanDerWaalsContact C-N 3.29Å; I296-I298 VanDerWaalsContact C-N 3.27Å; I296-I298 HydrophobicContact CG2-CB 4.3Å; I296-I298 WeakPolarHBondContact CG2-O 3.41Å; I296-I298 PolarHBondContact O-N 3.28Å; I296-A302 HydrophobicContact CB-CB 3.83Å; I296-A302 HydrophobicContact CD1-CB 4.16Å; I296-A302 HydrophobicContact CG2-CB 3.87Å; I296-I305 HydrophobicContact CD1-CD1 3.73Å | ||
| 297 | Q | 74.9 | Confident | 87.3 | Confident | 55 Ų | 55 | 45 Ų | 45 | 26% | 0.257 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -74.5 | -17.7 | -179.8 | -67.6 | 179.1 | 47 | 0 | 0 | 113.5 | T81 L163 | T81-Q297 PolarHBondContact O-NE2 2.81Å; L163-Q297 HydrophobicContact CD1-CG 3.83Å |
| 298 | I | 76 | Confident | 87.3 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -100.5 | 109.4 | -175.9 | -58.1 | 169.9 | 0 | 0 | 0 | 109.3 | P74 L133 Y134 I296 H300 I301 A302 | P74-I298 HydrophobicContact CB-CD1 4.23Å; P74-I298 HydrophobicContact CG-CD1 4.39Å; L133-I298 HydrophobicContact CD2-CD1 4.32Å; Y134-I298 HydrophobicContact CD2-CG1 4.1Å; Y134-I298 HydrophobicContact CD2-CG2 4.16Å; Y134-I298 HydrophobicContact CE2-CB 4.32Å; Y134-I298 HydrophobicContact CE2-CD1 4.05Å; Y134-I298 HydrophobicContact CE2-CG1 3.88Å; Y134-I298 HydrophobicContact CE2-CG2 3.56Å; I296-I298 VanDerWaalsContact C-N 3.27Å; I296-I298 HydrophobicContact CG2-CB 4.3Å; I296-I298 WeakPolarHBondContact CG2-O 3.41Å; I296-I298 PolarHBondContact O-N 3.28Å; I298-H300 PolarHBondContact O-N 3.5Å; I298-I301 HydrophobicContact CB-CB 4.21Å; I298-I301 HydrophobicContact CB-CD1 4.16Å; I298-I301 HydrophobicContact CB-CG1 4.29Å; I298-I301 HydrophobicContact CD1-CD1 3.73Å; I298-I301 HydrophobicContact CG2-CB 4.08Å; I298-I301 HydrophobicContact CG2-CD1 3.89Å; I298-I301 HydrophobicContact CG2-CG1 3.76Å; I298-I301 PolarHBondContact O-N 2.88Å; I298-A302 WeakPolarHBondContact O-CB 3.28Å; I298-A302 PolarHBondContact O-N 3.24Å | ||
| 299 | P | 79.8 | Confident | 87.1 | Confident | 53 Ų | 53 | 45.9 Ų | 45.9 | 34% | 0.344 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63 | -39.4 | -171.7 | 23.6 | -33.2 | 0 | 0 | 0 | 112.6 | Y293 I301 A302 L303 | Y293-P299 HydrophobicContact CE2-CB 4.44Å; P299-I301 PolarHBondContact O-N 3.29Å; P299-A302 WeakPolarHBondContact O-CB 3.35Å; P299-A302 PolarHBondContact O-N 3.09Å; P299-L303 WeakPolarHBondContact O-CB 3.32Å; P299-L303 VanDerWaalsContact O-CG 3.29Å; P299-L303 WeakPolarHBondContact O-CG 3.44Å; P299-L303 PolarHBondContact O-N 2.83Å |
| 300 | H | 82.9 | Confident | 87 | Confident | 137 Ų | 137 | 47.4 Ų | 47.4 | 63% | 0.634 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -64.4 | -42.6 | 179.7 | -59 | -60.8 | 0 | 0 | 0 | 113.1 | I298 L303 A304 | I298-H300 PolarHBondContact O-N 3.5Å; H300-L303 PolarHBondContact O-N 3.09Å; H300-A304 WeakPolarHBondContact O-CB 3.19Å; H300-A304 PolarHBondContact O-N 2.89Å |
| 301 | I | 85.2 | Confident | 86.8 | Confident | 38 Ų | 38 | 47 Ų | 47 | 20% | 0.195 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.6 | -40.4 | 177.6 | -63.3 | 178.2 | 0 | 0 | 0 | 109.9 | I79 I298 P299 L303 A304 I305 | I79-I301 HydrophobicContact CD1-CG2 4.15Å; I79-I301 HydrophobicContact CG1-CD1 4.39Å; I79-I301 HydrophobicContact CG1-CG2 4.41Å; I298-I301 HydrophobicContact CB-CB 4.21Å; I298-I301 HydrophobicContact CB-CD1 4.16Å; I298-I301 HydrophobicContact CB-CG1 4.29Å; I298-I301 HydrophobicContact CD1-CD1 3.73Å; I298-I301 HydrophobicContact CG2-CB 4.08Å; I298-I301 HydrophobicContact CG2-CD1 3.89Å; I298-I301 HydrophobicContact CG2-CG1 3.76Å; I298-I301 PolarHBondContact O-N 2.88Å; P299-I301 PolarHBondContact O-N 3.29Å; I301-L303 VanDerWaalsContact C-N 3.35Å; I301-L303 PolarHBondContact O-N 3.02Å; I301-A304 PolarHBondContact O-N 2.74Å; I301-I305 HydrophobicContact CG2-CD1 3.77Å; I301-I305 HydrophobicContact CG2-CG1 4.35Å; I301-I305 WeakPolarHBondContact O-CB 3.2Å; I301-I305 WeakPolarHBondContact O-CG1 3.39Å; I301-I305 PolarHBondContact O-N 3.33Å |
| 302 | A | 87.3 | Confident | 86.7 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.5 | -47.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y293 I296 I298 P299 I305 I306 | Y293-A302 HydrophobicContact CD2-CB 3.83Å; Y293-A302 HydrophobicContact CE2-CB 4.34Å; I296-A302 HydrophobicContact CB-CB 3.83Å; I296-A302 HydrophobicContact CD1-CB 4.16Å; I296-A302 HydrophobicContact CG2-CB 3.87Å; I298-A302 WeakPolarHBondContact O-CB 3.28Å; I298-A302 PolarHBondContact O-N 3.24Å; P299-A302 WeakPolarHBondContact O-CB 3.35Å; P299-A302 PolarHBondContact O-N 3.09Å; A302-I305 PolarHBondContact O-N 2.71Å; A302-I306 VanDerWaalsContact O-CG1 3.27Å; A302-I306 WeakPolarHBondContact O-CG1 3.29Å; A302-I306 PolarHBondContact O-N 3.36Å |
| 303 | L | 89 | Confident | 86.3 | Confident | 89 Ų | 89 | 50 Ų | 50 | 47% | 0.466 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 176.8 | -70.1 | 174.3 | 0 | 0 | 0 | 112.2 | P299 H300 I301 I305 I306 I307 | P299-L303 WeakPolarHBondContact O-CB 3.32Å; P299-L303 VanDerWaalsContact O-CG 3.29Å; P299-L303 WeakPolarHBondContact O-CG 3.44Å; P299-L303 PolarHBondContact O-N 2.83Å; H300-L303 PolarHBondContact O-N 3.09Å; I301-L303 VanDerWaalsContact C-N 3.35Å; I301-L303 PolarHBondContact O-N 3.02Å; L303-I305 VanDerWaalsContact C-N 3.34Å; L303-I305 PolarHBondContact O-N 2.72Å; L303-I306 PolarHBondContact O-N 3.37Å; L303-I307 VanDerWaalsContact O-CG1 3.28Å; L303-I307 WeakPolarHBondContact O-CG1 3.36Å; L303-I307 PolarHBondContact O-N 2.87Å |
| 304 | A | 91.4 | Very high | 85.9 | Confident | 46 Ų | 46 | 51.3 Ų | 51.3 | 38% | 0.38 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.6 | -44.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | H300 I301 I307 I308 | H300-A304 WeakPolarHBondContact O-CB 3.19Å; H300-A304 PolarHBondContact O-N 2.89Å; I301-A304 PolarHBondContact O-N 2.74Å; A304-I307 PolarHBondContact O-N 3.34Å; A304-I308 WeakPolarHBondContact O-CD1 3.26Å; A304-I308 VanDerWaalsContact O-CG1 3.23Å; A304-I308 WeakPolarHBondContact O-CG1 3.46Å; A304-I308 PolarHBondContact O-N 2.88Å |
| 305 | I | 90.6 | Very high | 85.5 | Confident | 40 Ų | 40 | 54.1 Ų | 54.1 | 21% | 0.205 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.9 | -38.3 | 177.5 | -69.3 | 172.6 | 0 | 0 | 0 | 111.3 | F167 M292 I296 I301 A302 L303 I308 A309 | F167-I305 HydrophobicContact CE2-CG2 3.95Å; F167-I305 HydrophobicContact CZ-CG2 3.93Å; M292-I305 HydrophobicContact CE-CG2 3.66Å; I296-I305 HydrophobicContact CD1-CD1 3.73Å; I301-I305 HydrophobicContact CG2-CD1 3.77Å; I301-I305 HydrophobicContact CG2-CG1 4.35Å; I301-I305 WeakPolarHBondContact O-CB 3.2Å; I301-I305 WeakPolarHBondContact O-CG1 3.39Å; I301-I305 PolarHBondContact O-N 3.33Å; A302-I305 PolarHBondContact O-N 2.71Å; L303-I305 VanDerWaalsContact C-N 3.34Å; L303-I305 PolarHBondContact O-N 2.72Å; I305-I308 PolarHBondContact O-N 3.44Å; I305-A309 WeakPolarHBondContact O-CB 3.22Å; I305-A309 PolarHBondContact O-N 3.46Å |
| 306 | I | 92.6 | Very high | 85 | Confident | 22 Ų | 22 | 60.9 Ų | 60.9 | 11% | 0.113 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 174.1 | -74.2 | 165.1 | 0 | 0 | 0 | 111.1 | L289 M292 Y293 A302 L303 I308 A309 L310 | L289-I306 HydrophobicContact CD2-CG1 4.27Å; L289-I306 HydrophobicContact CD2-CG2 3.89Å; M292-I306 HydrophobicContact CB-CG1 4.4Å; M292-I306 HydrophobicContact CE-CG1 4.42Å; Y293-I306 HydrophobicContact CD2-CD1 4.41Å; A302-I306 VanDerWaalsContact O-CG1 3.27Å; A302-I306 WeakPolarHBondContact O-CG1 3.29Å; A302-I306 PolarHBondContact O-N 3.36Å; L303-I306 PolarHBondContact O-N 3.37Å; I306-I308 VanDerWaalsContact C-N 3.34Å; I306-I308 PolarHBondContact O-N 3.03Å; I306-A309 PolarHBondContact O-N 2.88Å; I306-L310 HydrophobicContact CG2-CD1 3.98Å; I306-L310 HydrophobicContact CG2-CG 4.49Å; I306-L310 WeakPolarHBondContact O-CG 3.44Å; I306-L310 PolarHBondContact O-N 3.32Å |
| 307 | I | 91.8 | Very high | 84.3 | Confident | 101 Ų | 101 | 69.1 Ų | 69.1 | 52% | 0.518 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.2 | -46.3 | 176.4 | -67.9 | 164.5 | 0 | 0 | 0 | 109.9 | L303 A304 A309 L310 C311 | L303-I307 VanDerWaalsContact O-CG1 3.28Å; L303-I307 WeakPolarHBondContact O-CG1 3.36Å; L303-I307 PolarHBondContact O-N 2.87Å; A304-I307 PolarHBondContact O-N 3.34Å; I307-A309 VanDerWaalsContact C-N 3.33Å; I307-A309 PolarHBondContact O-N 3.38Å; I307-L310 PolarHBondContact O-N 3.32Å; I307-C311 WeakPolarHBondContact O-CB 3.38Å; I307-C311 PolarHBondContact O-N 2.93Å; I307-C311 PolarHBondContact O-SG 3.07Å |
| 308 | I | 91.3 | Very high | 84.4 | Confident | 103 Ų | 103 | 69.1 Ų | 69.1 | 53% | 0.528 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.7 | -45.7 | 176.3 | -68.4 | 163.2 | 0 | 0 | 0 | 110.4 | A304 I305 I306 L310 C311 T312 | A304-I308 WeakPolarHBondContact O-CD1 3.26Å; A304-I308 VanDerWaalsContact O-CG1 3.23Å; A304-I308 WeakPolarHBondContact O-CG1 3.46Å; A304-I308 PolarHBondContact O-N 2.88Å; I305-I308 PolarHBondContact O-N 3.44Å; I306-I308 VanDerWaalsContact C-N 3.34Å; I306-I308 PolarHBondContact O-N 3.03Å; I308-L310 PolarHBondContact O-N 2.87Å; I308-C311 WeakPolarHBondContact O-CB 3.34Å; I308-C311 PolarHBondContact O-N 3.35Å; I308-T312 HydrophobicContact CG2-CG2 4.28Å; I308-T312 WeakPolarHBondContact O-CG2 3.41Å; I308-T312 PolarHBondContact O-N 3.1Å; I308-T312 PolarHBondContact O-OG1 2.85Å |
| 309 | A | 90.8 | Very high | 84.6 | Confident | 5 Ų | 5 | 73.6 Ų | 73.6 | 4% | 0.041 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F174 F175 M292 I305 I306 I307 C311 T312 K313 | F174-A309 HydrophobicContact CD1-CB 4.19Å; F174-A309 HydrophobicContact CE1-CB 3.91Å; F175-A309 HydrophobicContact CE2-CB 4.49Å; F175-A309 HydrophobicContact CZ-CB 4.31Å; M292-A309 HydrophobicContact CE-CB 4Å; I305-A309 WeakPolarHBondContact O-CB 3.22Å; I305-A309 PolarHBondContact O-N 3.46Å; I306-A309 PolarHBondContact O-N 2.88Å; I307-A309 VanDerWaalsContact C-N 3.33Å; I307-A309 PolarHBondContact O-N 3.38Å; A309-C311 PolarHBondContact O-N 2.97Å; A309-T312 WeakPolarHBondContact CA-OG1 3.36Å; A309-T312 PolarHBondContact O-N 3.35Å; A309-T312 PolarHBondContact O-OG1 3.12Å; A309-K313 PolarHBondContact O-N 3.33Å; A309-K313 VanDerWaalsContact O-N 3.09Å |
| 310 | L | 90.3 | Very high | 84.5 | Confident | 65 Ų | 65 | 76.7 Ų | 76.7 | 34% | 0.34 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 174.8 | -73 | 168.5 | 0 | 0 | 0 | 112 | F174 L289 I306 I307 I308 N314 | F174-L310 HydrophobicContact CE2-CD2 4.09Å; F174-L310 HydrophobicContact CZ-CD2 3.88Å; F174-L310 HydrophobicContact CZ-CG 4.42Å; L289-L310 HydrophobicContact CD1-CD2 4.5Å; I306-L310 HydrophobicContact CG2-CD1 3.98Å; I306-L310 HydrophobicContact CG2-CG 4.49Å; I306-L310 WeakPolarHBondContact O-CG 3.44Å; I306-L310 PolarHBondContact O-N 3.32Å; I307-L310 PolarHBondContact O-N 3.32Å; I308-L310 PolarHBondContact O-N 2.87Å; L310-N314 WeakPolarHBondContact O-CB 3.45Å; L310-N314 PolarHBondContact O-N 2.96Å; L310-N314 PolarHBondContact O-ND2 3.36Å |
| 311 | C | 87.3 | Confident | 84.6 | Confident | 65 Ų | 65 | 77.7 Ų | 77.7 | 44% | 0.439 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -58.4 | -59 | 173.7 | -71.5 | 0 | 0 | 0 | 0 | 109.2 | I307 I308 A309 K313 N314 L315 | I307-C311 WeakPolarHBondContact O-CB 3.38Å; I307-C311 PolarHBondContact O-N 2.93Å; I307-C311 PolarHBondContact O-SG 3.07Å; I308-C311 WeakPolarHBondContact O-CB 3.34Å; I308-C311 PolarHBondContact O-N 3.35Å; A309-C311 PolarHBondContact O-N 2.97Å; C311-K313 PolarHBondContact O-N 3.08Å; C311-K313 VanDerWaalsContact O-N 3.09Å; C311-N314 CarbonylContact O-C 3.48Å; C311-N314 PolarHBondContact O-N 2.68Å; C311-L315 WeakPolarHBondContact O-CA 3.4Å; C311-L315 WeakPolarHBondContact O-CB 3.31Å; C311-L315 PolarHBondContact O-N 3.45Å |
| 312 | T | 87.1 | Confident | 84.7 | Confident | 71 Ų | 71 | 81.3 Ų | 81.3 | 44% | 0.436 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -53 | -38.1 | -176.4 | 55.7 | 0 | 0 | 0 | 0 | 113.7 | F175 I308 A309 | F175-T312 WeakPolarHBondContact CZ-OG1 3.23Å; I308-T312 HydrophobicContact CG2-CG2 4.28Å; I308-T312 WeakPolarHBondContact O-CG2 3.41Å; I308-T312 PolarHBondContact O-N 3.1Å; I308-T312 PolarHBondContact O-OG1 2.85Å; A309-T312 WeakPolarHBondContact CA-OG1 3.36Å; A309-T312 PolarHBondContact O-N 3.35Å; A309-T312 PolarHBondContact O-OG1 3.12Å |
| 313 | K | 83.3 | Confident | 84.6 | Confident | 51 Ų | 51 | 88.3 Ų | 88.3 | 22% | 0.222 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -75.8 | -36.8 | 178.7 | -169.9 | 167.3 | -170.7 | 164.4 | 0 | 113.3 | F174 D178 A309 C311 | F174-K313 HydrophobicContact CE1-CB 4.09Å; F174-K313 HydrophobicContact CE1-CD 3.9Å; F174-K313 HydrophobicContact CZ-CB 4.34Å; F174-K313 HydrophobicContact CZ-CD 3.95Å; F174-K313 PolarHBondContact O-NZ 3.3Å; D178-K313 WeakPolarHBondContact OD2-CE 3.36Å; D178-K313 IonicContact OD2-NZ 3.73Å; D178-K313 PolarHBondContact OD2-NZ 3.32Å; A309-K313 PolarHBondContact O-N 3.33Å; A309-K313 VanDerWaalsContact O-N 3.09Å; C311-K313 PolarHBondContact O-N 3.08Å; C311-K313 VanDerWaalsContact O-N 3.09Å |
| 314 | N | 80.8 | Confident | 84.5 | Confident | 105 Ų | 105 | 88 Ų | 88 | 56% | 0.561 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -97.3 | 3 | -177.4 | -64 | -31.2 | 0 | 0 | 0 | 113.4 | L310 C311 P318 | L310-N314 WeakPolarHBondContact O-CB 3.45Å; L310-N314 PolarHBondContact O-N 2.96Å; L310-N314 PolarHBondContact O-ND2 3.36Å; C311-N314 CarbonylContact O-C 3.48Å; C311-N314 PolarHBondContact O-N 2.68Å; N314-P318 WeakPolarHBondContact O-CD 3.2Å |
| 315 | L | 75.4 | Confident | 84.2 | Confident | 81 Ų | 81 | 88.3 Ų | 88.3 | 42% | 0.424 | 43% | 0.434 | S | S | . | . | trans | -76.5 | -23.4 | -172.4 | -164.1 | 64.2 | 0 | 0 | 0 | 113.2 | C311 Y317 P318 I319 | C311-L315 WeakPolarHBondContact O-CA 3.4Å; C311-L315 WeakPolarHBondContact O-CB 3.31Å; C311-L315 PolarHBondContact O-N 3.45Å; L315-Y317 VanDerWaalsContact C-N 3.3Å; L315-Y317 PolarHBondContact O-N 3.37Å; L315-P318 VanDerWaalsContact C-CD 3.5Å; L315-P318 HydrophobicContact CD1-CG 4.28Å; L315-P318 WeakPolarHBondContact O-CD 2.97Å; L315-P318 VanDerWaalsContact O-CG 3.29Å; L315-P318 WeakPolarHBondContact O-CG 3.29Å; L315-I319 HydrophobicContact CD1-CD1 4.29Å; L315-I319 HydrophobicContact CD1-CG1 4.3Å; L315-I319 HydrophobicContact CD2-CD1 3.67Å; L315-I319 HydrophobicContact CG-CD1 3.47Å; L315-I319 VanDerWaalsContact CG-CD1 3.47Å; L315-I319 HydrophobicContact CG-CG1 3.89Å; L315-I319 WeakPolarHBondContact O-CB 3.44Å; L315-I319 VanDerWaalsContact O-CG1 3.31Å; L315-I319 WeakPolarHBondContact O-CG1 3.49Å; L315-I319 PolarHBondContact O-N 3.3Å; L315-I319 VanDerWaalsContact O-N 3.1Å | ||
| 316 | E | 73.3 | Confident | 84.1 | Confident | 142 Ų | 142 | 93.7 Ų | 93.7 | 66% | 0.664 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -59 | -42.9 | -178.7 | -65.7 | -179.3 | 176.7 | 0 | 0 | 111.9 | Q320 | E316-Q320 WeakPolarHBondContact O-CB 3.38Å; E316-Q320 VanDerWaalsContact O-CG 3.23Å; E316-Q320 WeakPolarHBondContact O-CG 3.33Å; E316-Q320 PolarHBondContact O-N 2.86Å |
| 317 | Y | 68.6 | Low | 83.9 | Confident | 182 Ų | 182 | 98.9 Ų | 98.9 | 71% | 0.714 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -66.2 | -52.1 | -178.8 | -166.4 | -94 | 0 | 0 | 0 | 114.2 | L315 I319 Q320 W321 | L315-Y317 VanDerWaalsContact C-N 3.3Å; L315-Y317 PolarHBondContact O-N 3.37Å; Y317-I319 VanDerWaalsContact C-N 3.34Å; Y317-I319 PolarHBondContact O-N 2.87Å; Y317-Q320 PolarHBondContact O-N 3.49Å; Y317-W321 WeakPolarHBondContact O-CB 3.18Å; Y317-W321 PolarHBondContact O-N 2.8Å |
| 318 | P | 78.3 | Confident | 83.4 | Confident | 55 Ų | 55 | 101.1 Ų | 101.1 | 36% | 0.357 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.4 | -32.8 | 177 | 26.6 | -35 | 0 | 0 | 0 | 112.6 | N314 L315 W321 L322 | N314-P318 WeakPolarHBondContact O-CD 3.2Å; L315-P318 VanDerWaalsContact C-CD 3.5Å; L315-P318 HydrophobicContact CD1-CG 4.28Å; L315-P318 WeakPolarHBondContact O-CD 2.97Å; L315-P318 VanDerWaalsContact O-CG 3.29Å; L315-P318 WeakPolarHBondContact O-CG 3.29Å; P318-W321 PolarHBondContact O-N 3.37Å; P318-L322 WeakPolarHBondContact O-CB 3.42Å; P318-L322 PolarHBondContact O-N 3.44Å |
| 319 | I | 79.3 | Confident | 83 | Confident | 95 Ų | 95 | 100.8 Ų | 100.8 | 49% | 0.487 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.5 | -46.3 | 174.7 | -71.4 | 179 | 0 | 0 | 0 | 110.8 | L315 Y317 W321 L322 Y323 | L315-I319 HydrophobicContact CD1-CD1 4.29Å; L315-I319 HydrophobicContact CD1-CG1 4.3Å; L315-I319 HydrophobicContact CD2-CD1 3.67Å; L315-I319 HydrophobicContact CG-CD1 3.47Å; L315-I319 VanDerWaalsContact CG-CD1 3.47Å; L315-I319 HydrophobicContact CG-CG1 3.89Å; L315-I319 WeakPolarHBondContact O-CB 3.44Å; L315-I319 VanDerWaalsContact O-CG1 3.31Å; L315-I319 WeakPolarHBondContact O-CG1 3.49Å; L315-I319 PolarHBondContact O-N 3.3Å; L315-I319 VanDerWaalsContact O-N 3.1Å; Y317-I319 VanDerWaalsContact C-N 3.34Å; Y317-I319 PolarHBondContact O-N 2.87Å; I319-W321 VanDerWaalsContact C-N 3.29Å; I319-W321 PolarHBondContact O-N 2.85Å; I319-L322 PolarHBondContact O-N 3.35Å; I319-Y323 WeakPolarHBondContact O-CB 3.43Å; I319-Y323 PolarHBondContact O-N 2.85Å |
| 320 | Q | 78.3 | Confident | 82.5 | Confident | 117 Ų | 117 | 107.4 Ų | 107.4 | 55% | 0.547 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.4 | -42.1 | 175.8 | -76.7 | 175.6 | -3 | 0 | 0 | 111.2 | E316 Y317 Y323 I324 | E316-Q320 WeakPolarHBondContact O-CB 3.38Å; E316-Q320 VanDerWaalsContact O-CG 3.23Å; E316-Q320 WeakPolarHBondContact O-CG 3.33Å; E316-Q320 PolarHBondContact O-N 2.86Å; Y317-Q320 PolarHBondContact O-N 3.49Å; Q320-Y323 PolarHBondContact O-N 3.46Å; Q320-I324 WeakPolarHBondContact O-CB 3.48Å; Q320-I324 WeakPolarHBondContact O-CD1 3.27Å; Q320-I324 WeakPolarHBondContact O-CG1 3.22Å; Q320-I324 PolarHBondContact O-N 3.39Å |
| 321 | W | 85 | Confident | 81.5 | Confident | 159 Ų | 159 | 109.4 Ų | 109.4 | 60% | 0.602 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.5 | -43.1 | 176.4 | -172.3 | 84.1 | 0 | 0 | 0 | 112.7 | Y317 P318 I319 I324 T325 | Y317-W321 WeakPolarHBondContact O-CB 3.18Å; Y317-W321 PolarHBondContact O-N 2.8Å; P318-W321 PolarHBondContact O-N 3.37Å; I319-W321 VanDerWaalsContact C-N 3.29Å; I319-W321 PolarHBondContact O-N 2.85Å; W321-I324 PolarHBondContact O-N 2.95Å; W321-T325 WeakPolarHBondContact O-CB 3.35Å; W321-T325 PolarHBondContact O-N 2.93Å; W321-T325 PolarHBondContact O-OG1 3.41Å |
| 322 | L | 87 | Confident | 80.5 | Confident | 113 Ų | 113 | 110.3 Ų | 110.3 | 59% | 0.592 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.5 | -44.4 | 172.9 | -107.8 | 155.4 | 0 | 0 | 0 | 111.5 | P318 I319 T325 Y326 | P318-L322 WeakPolarHBondContact O-CB 3.42Å; P318-L322 PolarHBondContact O-N 3.44Å; I319-L322 PolarHBondContact O-N 3.35Å; L322-T325 PolarHBondContact O-N 2.83Å; L322-Y326 WeakPolarHBondContact O-CB 3.31Å; L322-Y326 PolarHBondContact O-N 3.3Å |
| 323 | Y | 86.1 | Confident | 79.3 | Confident | 147 Ų | 147 | 112.2 Ų | 112.2 | 58% | 0.576 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.9 | -44.2 | 178.1 | 177.3 | -103.3 | 0 | 0 | 0 | 112.2 | I319 Q320 T325 Y326 R327 | I319-Y323 WeakPolarHBondContact O-CB 3.43Å; I319-Y323 PolarHBondContact O-N 2.85Å; Q320-Y323 PolarHBondContact O-N 3.46Å; Y323-T325 VanDerWaalsContact C-N 3.33Å; Y323-T325 PolarHBondContact O-N 3.43Å; Y323-Y326 PolarHBondContact O-N 3.44Å; Y323-R327 VanDerWaalsContact O-CB 3.27Å; Y323-R327 WeakPolarHBondContact O-CB 3.33Å; Y323-R327 PolarHBondContact O-N 2.94Å |
| 324 | I | 85.3 | Confident | 78.5 | Confident | 83 Ų | 83 | 116 Ų | 116 | 43% | 0.426 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.9 | -44.2 | 175.7 | -69.7 | 163.1 | 0 | 0 | 0 | 110.2 | Q320 W321 R327 K328 | Q320-I324 WeakPolarHBondContact O-CB 3.48Å; Q320-I324 WeakPolarHBondContact O-CD1 3.27Å; Q320-I324 WeakPolarHBondContact O-CG1 3.22Å; Q320-I324 PolarHBondContact O-N 3.39Å; W321-I324 PolarHBondContact O-N 2.95Å; I324-R327 PolarHBondContact O-N 2.92Å; I324-K328 HydrophobicContact CG2-CD 4.18Å; I324-K328 WeakPolarHBondContact O-CB 3.31Å; I324-K328 VanDerWaalsContact O-CG 3.31Å; I324-K328 WeakPolarHBondContact O-CG 3.4Å; I324-K328 PolarHBondContact O-N 3.45Å |
| 325 | T | 86.6 | Confident | 77.7 | Confident | 52 Ų | 52 | 120 Ų | 120 | 32% | 0.319 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.3 | -46 | 179.6 | -56 | 0 | 0 | 0 | 0 | 110.9 | W321 L322 Y323 R327 K328 V329 | W321-T325 WeakPolarHBondContact O-CB 3.35Å; W321-T325 PolarHBondContact O-N 2.93Å; W321-T325 PolarHBondContact O-OG1 3.41Å; L322-T325 PolarHBondContact O-N 2.83Å; Y323-T325 VanDerWaalsContact C-N 3.33Å; Y323-T325 PolarHBondContact O-N 3.43Å; T325-R327 PolarHBondContact O-N 3.46Å; T325-K328 PolarHBondContact O-N 3.32Å; T325-V329 WeakPolarHBondContact O-CG2 3.35Å; T325-V329 PolarHBondContact O-N 2.89Å |
| 326 | Y | 87.3 | Confident | 77.2 | Confident | 154 Ų | 154 | 122 Ų | 122 | 60% | 0.604 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -57.1 | -48.4 | 174.1 | 176 | -99.8 | 0 | 0 | 0 | 111.7 | L322 Y323 K328 V329 Y330 | L322-Y326 WeakPolarHBondContact O-CB 3.31Å; L322-Y326 PolarHBondContact O-N 3.3Å; Y323-Y326 PolarHBondContact O-N 3.44Å; Y326-K328 VanDerWaalsContact C-N 3.34Å; Y326-K328 PolarHBondContact O-N 2.93Å; Y326-V329 PolarHBondContact O-N 3.21Å; Y326-Y330 WeakPolarHBondContact O-CB 3.32Å; Y326-Y330 PolarHBondContact O-N 2.92Å |
| 327 | R | 87.9 | Confident | 77 | Confident | 131 Ų | 131 | 121.6 Ų | 121.6 | 49% | 0.494 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -61 | -41 | 177.1 | -173.6 | -175.6 | -171.1 | -148 | 3.8 | 112 | Y323 I324 T325 K331 | Y323-R327 VanDerWaalsContact O-CB 3.27Å; Y323-R327 WeakPolarHBondContact O-CB 3.33Å; Y323-R327 PolarHBondContact O-N 2.94Å; I324-R327 PolarHBondContact O-N 2.92Å; T325-R327 PolarHBondContact O-N 3.46Å; R327-K331 HydrophobicContact CG-CD 4.23Å; R327-K331 HydrophobicContact CG-CG 4.5Å; R327-K331 VanDerWaalsContact O-CB 3.31Å; R327-K331 WeakPolarHBondContact O-CB 3.32Å; R327-K331 WeakPolarHBondContact O-CG 3.26Å; R327-K331 PolarHBondContact O-N 2.76Å |
| 328 | K | 81.8 | Confident | 77.2 | Confident | 148 Ų | 148 | 118 Ų | 118 | 64% | 0.643 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66.1 | -43 | 178.2 | -79.4 | -179 | 178.8 | -175.8 | 0 | 111.6 | I324 T325 Y326 A332 | I324-K328 HydrophobicContact CG2-CD 4.18Å; I324-K328 WeakPolarHBondContact O-CB 3.31Å; I324-K328 VanDerWaalsContact O-CG 3.31Å; I324-K328 WeakPolarHBondContact O-CG 3.4Å; I324-K328 PolarHBondContact O-N 3.45Å; T325-K328 PolarHBondContact O-N 3.32Å; Y326-K328 VanDerWaalsContact C-N 3.34Å; Y326-K328 PolarHBondContact O-N 2.93Å; K328-A332 WeakPolarHBondContact O-CB 3.45Å; K328-A332 PolarHBondContact O-N 3.16Å |
| 329 | V | 83.7 | Confident | 76.9 | Confident | 95 Ų | 95 | 121 Ų | 121 | 58% | 0.576 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -66.5 | -43.7 | 177.5 | 173 | 0 | 0 | 0 | 0 | 111.1 | T325 Y326 A332 T333 | T325-V329 WeakPolarHBondContact O-CG2 3.35Å; T325-V329 PolarHBondContact O-N 2.89Å; Y326-V329 PolarHBondContact O-N 3.21Å; V329-A332 PolarHBondContact O-N 3.26Å; V329-T333 PolarHBondContact O-N 3.28Å; V329-T333 PolarHBondContact O-OG1 2.89Å |
| 330 | Y | 79.5 | Confident | 76.9 | Confident | 145 Ų | 145 | 125.7 Ų | 125.7 | 57% | 0.569 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -63.3 | -47.3 | 177.3 | -170.9 | -97.3 | 0 | 0 | 0 | 111.9 | Y326 A332 T333 | Y326-Y330 WeakPolarHBondContact O-CB 3.32Å; Y326-Y330 PolarHBondContact O-N 2.92Å; Y330-A332 PolarHBondContact O-N 2.92Å; Y330-T333 VanDerWaalsContact O-CB 3.26Å; Y330-T333 WeakPolarHBondContact O-CB 3.17Å; Y330-T333 PolarHBondContact O-N 3.15Å; Y330-T333 VanDerWaalsContact O-N 3.15Å |
| 331 | K | 69.7 | Low | 77.3 | Confident | 107 Ų | 107 | 127.4 Ų | 127.4 | 47% | 0.465 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -70.3 | -29.9 | 177.9 | -73.3 | -170.7 | 169.5 | -153.7 | 0 | 114.1 | R327 T333 E334 | R327-K331 HydrophobicContact CG-CD 4.23Å; R327-K331 HydrophobicContact CG-CG 4.5Å; R327-K331 VanDerWaalsContact O-CB 3.31Å; R327-K331 WeakPolarHBondContact O-CB 3.32Å; R327-K331 WeakPolarHBondContact O-CG 3.26Å; R327-K331 PolarHBondContact O-N 2.76Å; K331-T333 PolarHBondContact O-N 3.34Å; K331-E334 PolarHBondContact O-N 3.45Å; K331-E334 VanDerWaalsContact O-N 3.16Å |
| 332 | A | 65.7 | Low | 77.3 | Confident | 83 Ų | 83 | 124.1 Ų | 124.1 | 69% | 0.686 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -67.6 | -16.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | K328 V329 Y330 | K328-A332 WeakPolarHBondContact O-CB 3.45Å; K328-A332 PolarHBondContact O-N 3.16Å; V329-A332 PolarHBondContact O-N 3.26Å; Y330-A332 PolarHBondContact O-N 2.92Å |
| 333 | T | 62.7 | Low | 77.5 | Confident | 111 Ų | 111 | 121.7 Ų | 121.7 | 68% | 0.681 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -79.4 | -22.1 | 174.7 | -50.9 | 0 | 0 | 0 | 0 | 111.6 | V329 Y330 K331 K335 | V329-T333 PolarHBondContact O-N 3.28Å; V329-T333 PolarHBondContact O-OG1 2.89Å; Y330-T333 VanDerWaalsContact O-CB 3.26Å; Y330-T333 WeakPolarHBondContact O-CB 3.17Å; Y330-T333 PolarHBondContact O-N 3.15Å; Y330-T333 VanDerWaalsContact O-N 3.15Å; K331-T333 PolarHBondContact O-N 3.34Å; T333-K335 PolarHBondContact O-N 3.5Å |
| 334 | E | 66.4 | Low | 77.5 | Confident | 130 Ų | 130 | 122.9 Ų | 122.9 | 61% | 0.607 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -80.9 | 97.7 | 170.3 | -70.4 | 176.9 | 164 | 0 | 0 | 109.4 | K331 P336 | K331-E334 PolarHBondContact O-N 3.45Å; K331-E334 VanDerWaalsContact O-N 3.16Å; E334-P336 WeakPolarHBondContact O-CD 3.41Å |
| 335 | K | 64.3 | Low | 77.7 | Confident | 191 Ų | 191 | 123.4 Ų | 123.4 | 83% | 0.83 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 123 | 174.1 | -69.9 | -179.7 | 179.6 | 179.4 | 0 | 109.4 | T333 V337 | T333-K335 PolarHBondContact O-N 3.5Å; K335-V337 PolarHBondContact O-N 3.27Å |
| 336 | P | 65 | Low | 77.9 | Confident | 121 Ų | 121 | 124.5 Ų | 124.5 | 79% | 0.786 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 124.9 | 173.2 | 25.5 | -30.9 | 0 | 0 | 0 | 109.2 | E334 | E334-P336 WeakPolarHBondContact O-CD 3.41Š|
| 337 | V | 68.3 | Low | 78.1 | Confident | 134 Ų | 134 | 125.2 Ų | 125.2 | 81% | 0.812 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 124.6 | 176.5 | -178 | 0 | 0 | 0 | 0 | 107.8 | K335 | K335-V337 PolarHBondContact O-N 3.27Š|
| 338 | P | 73.1 | Confident | 78.1 | Confident | 106 Ų | 106 | 124.6 Ų | 124.6 | 69% | 0.688 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 141.9 | 178.1 | 25.1 | -32.5 | 0 | 0 | 0 | 110 | R340 | P338-R340 PolarHBondContact O-N 2.84Š|
| 339 | P | 72.3 | Confident | 78.7 | Confident | 119 Ų | 119 | 121.4 Ų | 121.4 | 77% | 0.773 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 137.4 | 177.3 | 25.1 | -32.4 | 0 | 0 | 0 | 109.9 | L341 | P339-L341 PolarHBondContact O-N 3.43Š|
| 340 | R | 80.1 | Confident | 79.2 | Confident | 194 Ų | 194 | 122 Ų | 122 | 73% | 0.732 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 129.1 | 177.6 | 170.3 | 174 | 162.9 | 171.7 | -8.8 | 109.5 | P338 E346 | P338-R340 PolarHBondContact O-N 2.84Å; R340-E346 IonicContact NH2-OE1 3.52Å; R340-E346 PolarHBondContact NH2-OE1 3.41Å; R340-E346 IonicContact NH2-OE2 3.66Å |
| 341 | L | 84.9 | Confident | 79.9 | Confident | 153 Ų | 153 | 116.7 Ų | 116.7 | 80% | 0.801 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 146.9 | 170.7 | -63.2 | 176.6 | 0 | 0 | 0 | 109.9 | P339 | P339-L341 PolarHBondContact O-N 3.43Š|
| 342 | L | 86.9 | Confident | 81 | Confident | 89 Ų | 89 | 116.7 Ų | 116.7 | 47% | 0.466 | 61% | 0.605 | S | S | . | * | P | Polyproline II helix | trans | -65.3 | 138.5 | 175.4 | -154.3 | 65.4 | 0 | 0 | 0 | 109.1 | E346 Y347 | L342-E346 HydrophobicContact CD1-CB 3.52Å; L342-E346 HydrophobicContact CD1-CG 4.26Å; L342-E346 HydrophobicContact CD2-CB 4.21Å; L342-E346 HydrophobicContact CG-CB 3.5Å; L342-E346 VanDerWaalsContact CG-CB 3.5Å; L342-Y347 HydrophobicContact CD2-CD2 4.49Å |
| 343 | T | 89.3 | Confident | 82.5 | Confident | 62 Ų | 62 | 115.9 Ų | 115.9 | 38% | 0.38 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -71.8 | 156.5 | 170.4 | 58.5 | 0 | 0 | 0 | 0 | 110.2 | E345 E346 Y347 | T343-E345 PolarHBondContact O-N 2.69Å; T343-E346 PolarHBondContact N-OE2 2.89Å; T343-E346 PolarHBondContact O-N 3.03Å; T343-E346 VanDerWaalsContact O-N 3.14Å; T343-E346 WeakPolarHBondContact OG1-CB 3.33Å; T343-E346 WeakPolarHBondContact OG1-CG 3.38Å; T343-E346 PolarHBondContact OG1-N 3.44Å; T343-E346 PolarHBondContact OG1-OE2 3.41Å; T343-Y347 PolarHBondContact O-N 3.33Å |
| 344 | E | 86.8 | Confident | 84.1 | Confident | 173 Ų | 173 | 115.3 Ų | 115.3 | 81% | 0.808 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -56.2 | -39.1 | 179.7 | -177.1 | 173.2 | -173 | 0 | 0 | 112.2 | Y347 R348 | E344-Y347 WeakPolarHBondContact O-CB 3.2Å; E344-Y347 PolarHBondContact O-N 3.14Å; E344-R348 WeakPolarHBondContact O-CB 3.36Å; E344-R348 PolarHBondContact O-N 2.98Å |
| 345 | E | 88.8 | Confident | 85.4 | Confident | 94 Ų | 94 | 112.7 Ų | 112.7 | 44% | 0.439 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -68.7 | -42.5 | 177.1 | -175.6 | 59.1 | -167.4 | 0 | 0 | 112.3 | T343 Y347 R348 I349 | T343-E345 PolarHBondContact O-N 2.69Å; E345-Y347 VanDerWaalsContact C-N 3.27Å; E345-Y347 PolarHBondContact O-N 3.4Å; E345-R348 PolarHBondContact O-N 2.83Å; E345-R348 IonicContact OE1-CZ 2.7Å; E345-R348 IonicContact OE1-NE 2.92Å; E345-R348 IonicContact OE1-NH2 3.41Å; E345-R348 PolarHBondContact OE1-NH2 2.94Å; E345-R348 IonicContact OE2-CZ 2.85Å; E345-R348 IonicContact OE2-NE 2.72Å; E345-R348 PolarHBondContact OE2-NE 3.45Å; E345-R348 IonicContact OE2-NH2 3.94Å; E345-R348 PolarHBondContact OE2-NH2 2.92Å; E345-I349 HydrophobicContact CG-CD1 4Å; E345-I349 WeakPolarHBondContact O-CB 3.15Å; E345-I349 VanDerWaalsContact O-CG1 3.28Å; E345-I349 WeakPolarHBondContact O-CG1 3.28Å; E345-I349 PolarHBondContact O-N 2.99Å |
| 346 | E | 91.4 | Very high | 86.8 | Confident | 74 Ų | 74 | 110.8 Ų | 110.8 | 35% | 0.346 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.3 | -36.7 | 174.1 | -75.6 | 163.8 | 164.8 | 0 | 0 | 111.2 | R340 L342 T343 Q350 | R340-E346 IonicContact NH2-OE1 3.52Å; R340-E346 PolarHBondContact NH2-OE1 3.41Å; R340-E346 IonicContact NH2-OE2 3.66Å; L342-E346 HydrophobicContact CD1-CB 3.52Å; L342-E346 HydrophobicContact CD1-CG 4.26Å; L342-E346 HydrophobicContact CD2-CB 4.21Å; L342-E346 HydrophobicContact CG-CB 3.5Å; L342-E346 VanDerWaalsContact CG-CB 3.5Å; T343-E346 PolarHBondContact N-OE2 2.89Å; T343-E346 PolarHBondContact O-N 3.03Å; T343-E346 VanDerWaalsContact O-N 3.14Å; T343-E346 WeakPolarHBondContact OG1-CB 3.33Å; T343-E346 WeakPolarHBondContact OG1-CG 3.38Å; T343-E346 PolarHBondContact OG1-N 3.44Å; T343-E346 PolarHBondContact OG1-OE2 3.41Å; E346-Q350 VanDerWaalsContact O-CB 3.28Å; E346-Q350 WeakPolarHBondContact O-CB 3.41Å; E346-Q350 PolarHBondContact O-N 3.28Å |
| 347 | Y | 91.3 | Very high | 88.3 | Confident | 169 Ų | 169 | 109.8 Ų | 109.8 | 66% | 0.663 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.7 | -45.5 | 174.4 | 175.9 | -100.9 | 0 | 0 | 0 | 112 | L342 T343 E344 E345 Q350 G351 | L342-Y347 HydrophobicContact CD2-CD2 4.49Å; T343-Y347 PolarHBondContact O-N 3.33Å; E344-Y347 WeakPolarHBondContact O-CB 3.2Å; E344-Y347 PolarHBondContact O-N 3.14Å; E345-Y347 VanDerWaalsContact C-N 3.27Å; E345-Y347 PolarHBondContact O-N 3.4Å; Y347-Q350 PolarHBondContact O-N 3.39Å; Y347-G351 PolarHBondContact O-N 3.02Å |
| 348 | R | 88.5 | Confident | 89.6 | Confident | 118 Ų | 118 | 106 Ų | 106 | 45% | 0.445 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61 | -49.8 | 178.3 | -170.9 | -178.4 | 71.2 | 88.6 | -4.6 | 111.5 | E344 E345 Q350 G351 E352 | E344-R348 WeakPolarHBondContact O-CB 3.36Å; E344-R348 PolarHBondContact O-N 2.98Å; E345-R348 PolarHBondContact O-N 2.83Å; E345-R348 IonicContact OE1-CZ 2.7Å; E345-R348 IonicContact OE1-NE 2.92Å; E345-R348 IonicContact OE1-NH2 3.41Å; E345-R348 PolarHBondContact OE1-NH2 2.94Å; E345-R348 IonicContact OE2-CZ 2.85Å; E345-R348 IonicContact OE2-NE 2.72Å; E345-R348 PolarHBondContact OE2-NE 3.45Å; E345-R348 IonicContact OE2-NH2 3.94Å; E345-R348 PolarHBondContact OE2-NH2 2.92Å; R348-Q350 VanDerWaalsContact C-N 3.32Å; R348-Q350 PolarHBondContact O-N 3.46Å; R348-G351 PolarHBondContact O-N 2.97Å; R348-G351 VanDerWaalsContact O-N 3.16Å; R348-E352 IonicContact CZ-OE1 3.78Å; R348-E352 IonicContact NH1-OE1 2.7Å; R348-E352 PolarHBondContact NH1-OE1 2.86Å; R348-E352 PolarHBondContact O-N 3.29Å |
| 349 | I | 93.8 | Very high | 90.7 | Very high | 81 Ų | 81 | 102.7 Ų | 102.7 | 42% | 0.415 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.1 | -43.8 | 177.9 | -67.7 | 168.4 | 0 | 0 | 0 | 110.6 | E345 G351 E352 V353 | E345-I349 HydrophobicContact CG-CD1 4Å; E345-I349 WeakPolarHBondContact O-CB 3.15Å; E345-I349 VanDerWaalsContact O-CG1 3.28Å; E345-I349 WeakPolarHBondContact O-CG1 3.28Å; E345-I349 PolarHBondContact O-N 2.99Å; I349-G351 VanDerWaalsContact C-N 3.32Å; I349-G351 PolarHBondContact O-N 3.35Å; I349-E352 PolarHBondContact O-N 3.46Å; I349-V353 HydrophobicContact CG2-CG2 4.34Å; I349-V353 WeakPolarHBondContact O-CG2 3.43Å; I349-V353 PolarHBondContact O-N 3.06Å |
| 350 | Q | 94.8 | Very high | 91.7 | Very high | 107 Ų | 107 | 101.8 Ų | 101.8 | 50% | 0.5 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.1 | -40.3 | 177.9 | -173.5 | 173.4 | -12.1 | 0 | 0 | 111.6 | E346 Y347 R348 V353 E354 | E346-Q350 VanDerWaalsContact O-CB 3.28Å; E346-Q350 WeakPolarHBondContact O-CB 3.41Å; E346-Q350 PolarHBondContact O-N 3.28Å; Y347-Q350 PolarHBondContact O-N 3.39Å; R348-Q350 VanDerWaalsContact C-N 3.32Å; R348-Q350 PolarHBondContact O-N 3.46Å; Q350-V353 PolarHBondContact O-N 3.09Å; Q350-E354 HydrophobicContact CG-CG 4.34Å; Q350-E354 WeakPolarHBondContact O-CB 3.5Å; Q350-E354 WeakPolarHBondContact O-CG 3.28Å; Q350-E354 PolarHBondContact O-N 3.01Å |
| 351 | G | 94.6 | Very high | 92.4 | Very high | 34 Ų | 34 | 97.5 Ų | 97.5 | 35% | 0.351 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.2 | -46.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y347 R348 I349 T355 | Y347-G351 PolarHBondContact O-N 3.02Å; R348-G351 PolarHBondContact O-N 2.97Å; R348-G351 VanDerWaalsContact O-N 3.16Å; I349-G351 VanDerWaalsContact C-N 3.32Å; I349-G351 PolarHBondContact O-N 3.35Å; G351-T355 WeakPolarHBondContact O-CB 3.37Å; G351-T355 PolarHBondContact O-N 3.27Å; G351-T355 PolarHBondContact O-OG1 3.5Å |
| 352 | E | 93.1 | Very high | 92.8 | Very high | 108 Ų | 108 | 94 Ų | 94 | 51% | 0.505 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.4 | -45.6 | 178.1 | -71.8 | 175.9 | -168.9 | 0 | 0 | 112.3 | R348 I349 R356 | R348-E352 IonicContact CZ-OE1 3.78Å; R348-E352 IonicContact NH1-OE1 2.7Å; R348-E352 PolarHBondContact NH1-OE1 2.86Å; R348-E352 PolarHBondContact O-N 3.29Å; I349-E352 PolarHBondContact O-N 3.46Å; E352-R356 WeakPolarHBondContact O-CB 3.48Å; E352-R356 PolarHBondContact O-N 3.47Å |
| 353 | V | 96.3 | Very high | 93 | Very high | 65 Ų | 65 | 92.8 Ų | 92.8 | 39% | 0.394 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66.3 | -48.2 | -178 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | I349 Q350 R356 K357 | I349-V353 HydrophobicContact CG2-CG2 4.34Å; I349-V353 WeakPolarHBondContact O-CG2 3.43Å; I349-V353 PolarHBondContact O-N 3.06Å; Q350-V353 PolarHBondContact O-N 3.09Å; V353-R356 PolarHBondContact O-N 2.93Å; V353-K357 WeakPolarHBondContact O-CB 3.3Å; V353-K357 PolarHBondContact O-N 3.16Å |
| 354 | E | 96 | Very high | 93.1 | Very high | 99 Ų | 99 | 96.6 Ų | 96.6 | 46% | 0.463 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -69.1 | -36.8 | 179.8 | -68.9 | -63.7 | 166.2 | 0 | 0 | 111.6 | Q350 K357 A358 | Q350-E354 HydrophobicContact CG-CG 4.34Å; Q350-E354 WeakPolarHBondContact O-CB 3.5Å; Q350-E354 WeakPolarHBondContact O-CG 3.28Å; Q350-E354 PolarHBondContact O-N 3.01Å; E354-K357 PolarHBondContact O-N 3.32Å; E354-A358 VanDerWaalsContact O-CB 3.3Å; E354-A358 WeakPolarHBondContact O-CB 3.43Å; E354-A358 PolarHBondContact O-N 2.96Å |
| 355 | T | 94.5 | Very high | 93.3 | Very high | 75 Ų | 75 | 93.5 Ų | 93.5 | 46% | 0.46 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.5 | -46.5 | 175.4 | -59.8 | 0 | 0 | 0 | 0 | 110.9 | G351 K357 A358 L359 | G351-T355 WeakPolarHBondContact O-CB 3.37Å; G351-T355 PolarHBondContact O-N 3.27Å; G351-T355 PolarHBondContact O-OG1 3.5Å; T355-K357 VanDerWaalsContact C-N 3.34Å; T355-K357 PolarHBondContact O-N 3.21Å; T355-A358 PolarHBondContact O-N 3.3Å; T355-L359 HydrophobicContact CG2-CD1 3.99Å; T355-L359 HydrophobicContact CG2-CG 4.46Å; T355-L359 WeakPolarHBondContact O-CB 3.38Å; T355-L359 VanDerWaalsContact O-CG 3.25Å; T355-L359 WeakPolarHBondContact O-CG 3.4Å; T355-L359 PolarHBondContact O-N 3.5Å |
| 356 | R | 93.4 | Very high | 93.3 | Very high | 152 Ų | 152 | 90.2 Ų | 90.2 | 57% | 0.574 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -59.1 | -47.7 | 176.4 | -179.3 | -178.6 | 61.9 | -177.6 | -2.5 | 111.1 | E352 V353 A358 L359 E360 | E352-R356 WeakPolarHBondContact O-CB 3.48Å; E352-R356 PolarHBondContact O-N 3.47Å; V353-R356 PolarHBondContact O-N 2.93Å; R356-A358 PolarHBondContact O-N 2.93Å; R356-L359 PolarHBondContact O-N 3.23Å; R356-E360 WeakPolarHBondContact O-CG 3.35Å; R356-E360 PolarHBondContact O-N 3.39Å |
| 357 | K | 96.4 | Very high | 93.1 | Very high | 99 Ų | 99 | 92.1 Ų | 92.1 | 43% | 0.43 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.3 | -46.8 | 179.5 | -173.6 | -174.7 | 175.1 | -158.7 | 0 | 111.7 | V353 E354 T355 L359 E360 E361 | V353-K357 WeakPolarHBondContact O-CB 3.3Å; V353-K357 PolarHBondContact O-N 3.16Å; E354-K357 PolarHBondContact O-N 3.32Å; T355-K357 VanDerWaalsContact C-N 3.34Å; T355-K357 PolarHBondContact O-N 3.21Å; K357-L359 VanDerWaalsContact C-N 3.31Å; K357-L359 PolarHBondContact O-N 3.05Å; K357-E360 PolarHBondContact O-N 3.25Å; K357-E361 WeakPolarHBondContact CE-OE1 3.45Å; K357-E361 IonicContact NZ-OE1 3.25Å; K357-E361 WeakPolarHBondContact O-CG 3.25Å; K357-E361 PolarHBondContact O-N 3.42Å |
| 358 | A | 96.1 | Very high | 92.9 | Very high | 54 Ų | 54 | 85.6 Ų | 85.6 | 45% | 0.446 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.4 | -35.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E354 T355 R356 L362 | E354-A358 VanDerWaalsContact O-CB 3.3Å; E354-A358 WeakPolarHBondContact O-CB 3.43Å; E354-A358 PolarHBondContact O-N 2.96Å; T355-A358 PolarHBondContact O-N 3.3Å; R356-A358 PolarHBondContact O-N 2.93Å; A358-L362 VanDerWaalsContact O-CB 3.27Å; A358-L362 WeakPolarHBondContact O-CB 3.45Å; A358-L362 PolarHBondContact O-N 2.91Å |
| 359 | L | 95.2 | Very high | 92.7 | Very high | 38 Ų | 38 | 86.2 Ų | 86.2 | 20% | 0.199 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -69.4 | -36.9 | 175.4 | -70.8 | 170 | 0 | 0 | 0 | 112.5 | T355 R356 K357 L362 R363 F389 H395 | T355-L359 HydrophobicContact CG2-CD1 3.99Å; T355-L359 HydrophobicContact CG2-CG 4.46Å; T355-L359 WeakPolarHBondContact O-CB 3.38Å; T355-L359 VanDerWaalsContact O-CG 3.25Å; T355-L359 WeakPolarHBondContact O-CG 3.4Å; T355-L359 PolarHBondContact O-N 3.5Å; R356-L359 PolarHBondContact O-N 3.23Å; K357-L359 VanDerWaalsContact C-N 3.31Å; K357-L359 PolarHBondContact O-N 3.05Å; L359-L362 PolarHBondContact O-N 3.45Å; L359-R363 WeakPolarHBondContact O-CG 3.27Å; L359-R363 PolarHBondContact O-N 3.45Å; L359-R363 VanDerWaalsContact O-N 3.09Å; L359-F389 HydrophobicContact CD2-CE2 4.17Å; L359-F389 HydrophobicContact CD2-CZ 4.03Å; L359-H395 WeakPolarHBondContact CD1-CE1 3.37Å; L359-H395 WeakPolarHBondContact CD1-ND1 3.49Å; L359-H395 HydrophobicContact CD2-CB 4.46Å |
| 360 | E | 93.9 | Very high | 92.1 | Very high | 99 Ų | 99 | 88.9 Ų | 88.9 | 46% | 0.463 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.1 | -48.9 | 173.5 | -73.9 | 170.7 | -173.9 | 0 | 0 | 111.1 | R356 K357 L362 R363 E364 | R356-E360 WeakPolarHBondContact O-CG 3.35Å; R356-E360 PolarHBondContact O-N 3.39Å; K357-E360 PolarHBondContact O-N 3.25Å; E360-L362 VanDerWaalsContact C-N 3.25Å; E360-L362 PolarHBondContact O-N 2.94Å; E360-R363 WeakPolarHBondContact O-CB 3.15Å; E360-R363 PolarHBondContact O-N 3.23Å; E360-E364 PolarHBondContact O-N 3.48Å |
| 361 | E | 94.6 | Very high | 91.7 | Very high | 105 Ų | 105 | 84.6 Ų | 84.6 | 49% | 0.491 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -57.5 | -39.2 | 174.7 | -72.5 | 177.6 | -174.9 | 0 | 0 | 111.7 | K357 E364 F365 | K357-E361 WeakPolarHBondContact CE-OE1 3.45Å; K357-E361 IonicContact NZ-OE1 3.25Å; K357-E361 WeakPolarHBondContact O-CG 3.25Å; K357-E361 PolarHBondContact O-N 3.42Å; E361-E364 PolarHBondContact O-N 3.21Å; E361-F365 WeakPolarHBondContact O-CB 3.36Å; E361-F365 PolarHBondContact O-N 3.07Å |
| 362 | L | 92.8 | Very high | 91.2 | Very high | 79 Ų | 79 | 86 Ų | 86 | 41% | 0.414 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 175.6 | -179.1 | 63 | 0 | 0 | 0 | 112 | A358 L359 E360 F365 C366 F389 | A358-L362 VanDerWaalsContact O-CB 3.27Å; A358-L362 WeakPolarHBondContact O-CB 3.45Å; A358-L362 PolarHBondContact O-N 2.91Å; L359-L362 PolarHBondContact O-N 3.45Å; E360-L362 VanDerWaalsContact C-N 3.25Å; E360-L362 PolarHBondContact O-N 2.94Å; L362-F365 PolarHBondContact O-N 2.65Å; L362-C366 WeakPolarHBondContact O-CB 3.47Å; L362-C366 PolarHBondContact O-N 3.25Å; L362-C366 PolarHBondContact O-SG 3.06Å; L362-F389 HydrophobicContact CD2-CE1 3.98Å; L362-F389 HydrophobicContact CD2-CZ 4.21Å; L362-F389 HydrophobicContact CG-CE1 4.27Å |
| 363 | R | 91.8 | Very high | 90.8 | Very high | 64 Ų | 64 | 83.6 Ų | 83.6 | 24% | 0.242 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -65.2 | -44.8 | 176.7 | -74.1 | 170.7 | 172.9 | -180 | -4 | 111.6 | L359 E360 F365 C366 N367 F389 G392 S393 | L359-R363 WeakPolarHBondContact O-CG 3.27Å; L359-R363 PolarHBondContact O-N 3.45Å; L359-R363 VanDerWaalsContact O-N 3.09Å; E360-R363 WeakPolarHBondContact O-CB 3.15Å; E360-R363 PolarHBondContact O-N 3.23Å; R363-F365 VanDerWaalsContact C-N 3.32Å; R363-F365 PolarHBondContact O-N 3.48Å; R363-C366 PolarHBondContact O-N 2.92Å; R363-N367 PolarHBondContact O-N 2.7Å; R363-N367 PolarHBondContact O-ND2 2.97Å; R363-N367 VanDerWaalsContact O-ND2 3.16Å; R363-F389 HydrophobicContact CG-CD1 4.47Å; R363-F389 HydrophobicContact CG-CE1 3.79Å; R363-F389 HydrophobicContact CG-CE2 4.12Å; R363-F389 HydrophobicContact CG-CZ 3.6Å; R363-F389 VanDerWaalsContact NE-CE2 3.34Å; R363-F389 PolarHBondContact NE-O 2.89Å; R363-F389 VanDerWaalsContact NE-O 3.14Å; R363-G392 VanDerWaalsContact NH2-C 3.34Å; R363-G392 PolarHBondContact NH2-O 3.08Å; R363-S393 PolarHBondContact NH2-O 3.01Å |
| 364 | E | 91.6 | Very high | 90.1 | Very high | 142 Ų | 142 | 91 Ų | 91 | 66% | 0.664 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -59.6 | -44.9 | 175.6 | -71.7 | -174.3 | 173.3 | 0 | 0 | 111.1 | E360 E361 C366 N367 S368 | E360-E364 PolarHBondContact O-N 3.48Å; E361-E364 PolarHBondContact O-N 3.21Å; E364-C366 PolarHBondContact O-N 3.27Å; E364-N367 PolarHBondContact O-N 3.16Å; E364-S368 PolarHBondContact O-N 3.13Å |
| 365 | F | 91.3 | Very high | 89.6 | Confident | 108 Ų | 108 | 91.9 Ų | 91.9 | 47% | 0.474 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.3 | -45.9 | 175.2 | 178.3 | -103.3 | 0 | 0 | 0 | 111.7 | E361 L362 R363 N367 S368 D370 C371 | E361-F365 WeakPolarHBondContact O-CB 3.36Å; E361-F365 PolarHBondContact O-N 3.07Å; L362-F365 PolarHBondContact O-N 2.65Å; R363-F365 VanDerWaalsContact C-N 3.32Å; R363-F365 PolarHBondContact O-N 3.48Å; F365-N367 VanDerWaalsContact C-N 3.26Å; F365-N367 PolarHBondContact O-N 3.41Å; F365-S368 WeakPolarHBondContact O-CB 3.49Å; F365-S368 PolarHBondContact O-N 2.9Å; F365-S368 VanDerWaalsContact O-N 3.07Å; F365-S368 PolarHBondContact O-OG 3.49Å; F365-D370 HydrophobicContact CE2-CB 4.48Å; F365-C371 HydrophobicContact CD1-CB 4.32Å; F365-C371 HydrophobicContact CE1-CB 4.02Å; F365-C371 HydrophobicContact CZ-CB 4.28Å; F365-C371 VanDerWaalsContact O-CB 3.25Å; F365-C371 WeakPolarHBondContact O-CB 3.47Å |
| 366 | C | 88.4 | Confident | 89.3 | Confident | 24 Ų | 24 | 90.2 Ų | 90.2 | 16% | 0.162 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -64.3 | -27.9 | 178.7 | -70.1 | 0 | 0 | 0 | 0 | 114 | L362 R363 E364 F386 V390 | L362-C366 WeakPolarHBondContact O-CB 3.47Å; L362-C366 PolarHBondContact O-N 3.25Å; L362-C366 PolarHBondContact O-SG 3.06Å; R363-C366 PolarHBondContact O-N 2.92Å; E364-C366 PolarHBondContact O-N 3.27Å; C366-F386 HydrophobicContact CB-CZ 4.44Å; C366-V390 HydrophobicContact CB-CG1 4.09Å; C366-V390 HydrophobicContact CB-CG2 3.79Å |
| 367 | N | 85.9 | Confident | 89 | Confident | 114 Ų | 114 | 85.1 Ų | 85.1 | 61% | 0.61 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -84.8 | -11 | 174.5 | -73.9 | -44.4 | 0 | 0 | 0 | 113.5 | R363 E364 F365 V390 | R363-N367 PolarHBondContact O-N 2.7Å; R363-N367 PolarHBondContact O-ND2 2.97Å; R363-N367 VanDerWaalsContact O-ND2 3.16Å; E364-N367 PolarHBondContact O-N 3.16Å; F365-N367 VanDerWaalsContact C-N 3.26Å; F365-N367 PolarHBondContact O-N 3.41Å; N367-V390 WeakPolarHBondContact OD1-CG1 3.25Å |
| 368 | S | 88.6 | Confident | 88.5 | Confident | 32 Ų | 32 | 84.8 Ų | 84.8 | 22% | 0.224 | 45% | 0.453 | C | S | . | . | S | Bend | trans | -77.8 | 152.3 | 179.6 | 80.3 | 0 | 0 | 0 | 0 | 112.2 | E364 F365 D370 C371 | E364-S368 PolarHBondContact O-N 3.13Å; F365-S368 WeakPolarHBondContact O-CB 3.49Å; F365-S368 PolarHBondContact O-N 2.9Å; F365-S368 VanDerWaalsContact O-N 3.07Å; F365-S368 PolarHBondContact O-OG 3.49Å; S368-D370 PolarHBondContact O-N 2.66Å; S368-D370 VanDerWaalsContact O-N 3.13Å; S368-D370 PolarHBondContact OG-N 2.72Å; S368-C371 PolarHBondContact O-N 2.95Å |
| 369 | P | 83.1 | Confident | 88.2 | Confident | 131 Ų | 131 | 91.3 Ų | 91.3 | 85% | 0.851 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -12.9 | 175.7 | 28.8 | -35.9 | 0 | 0 | 0 | 113.4 | C371 | P369-C371 VanDerWaalsContact C-N 3.32Š|
| 370 | D | 82.4 | Confident | 87.9 | Confident | 137 Ų | 137 | 91.9 Ų | 91.9 | 73% | 0.733 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -14.5 | 179.2 | -63 | -35.5 | 0 | 0 | 0 | 112.6 | F365 S368 | F365-D370 HydrophobicContact CE2-CB 4.48Å; S368-D370 PolarHBondContact O-N 2.66Å; S368-D370 VanDerWaalsContact O-N 3.13Å; S368-D370 PolarHBondContact OG-N 2.72Å |
| 371 | C | 84.8 | Confident | 87.6 | Confident | 17 Ų | 17 | 96.6 Ų | 96.6 | 12% | 0.115 | 49% | 0.491 | C | S | . | . | S | Bend | trans | -86.2 | 116 | 175.3 | -167.7 | 0 | 0 | 0 | 0 | 111.5 | F365 S368 P369 A373 | F365-C371 HydrophobicContact CD1-CB 4.32Å; F365-C371 HydrophobicContact CE1-CB 4.02Å; F365-C371 HydrophobicContact CZ-CB 4.28Å; F365-C371 VanDerWaalsContact O-CB 3.25Å; F365-C371 WeakPolarHBondContact O-CB 3.47Å; S368-C371 PolarHBondContact O-N 2.95Å; P369-C371 VanDerWaalsContact C-N 3.32Å; C371-A373 PolarHBondContact O-N 3.39Å |
| 372 | S | 85 | Confident | 87.4 | Confident | 63 Ų | 63 | 94.3 Ų | 94.3 | 44% | 0.441 | 49% | 0.486 | S | S | . | . | trans | -73.9 | 84.6 | 173.7 | 59.3 | 0 | 0 | 0 | 0 | 111.6 | W374 K375 T376 | S372-W374 PolarHBondContact O-N 2.92Å; S372-K375 PolarHBondContact O-N 3Å; S372-K375 VanDerWaalsContact O-N 3.09Å; S372-K375 WeakPolarHBondContact OG-CB 3.37Å; S372-T376 PolarHBondContact O-N 3Å; S372-T376 PolarHBondContact O-OG1 3.14Å | ||
| 373 | A | 84.1 | Confident | 87.2 | Confident | 58 Ų | 58 | 93.4 Ų | 93.4 | 48% | 0.479 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -48.1 | -49.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114 | C371 K375 T376 V377 | C371-A373 PolarHBondContact O-N 3.39Å; A373-K375 PolarHBondContact O-N 3.36Å; A373-T376 PolarHBondContact O-N 3.09Å; A373-V377 WeakPolarHBondContact O-CB 3.07Å; A373-V377 VanDerWaalsContact O-CG2 3.27Å; A373-V377 WeakPolarHBondContact O-CG2 3.46Å; A373-V377 PolarHBondContact O-N 2.91Å |
| 374 | W | 82 | Confident | 87 | Confident | 221 Ų | 221 | 98.1 Ų | 98.1 | 84% | 0.837 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.7 | -33 | -177.8 | -66.2 | 118.4 | 0 | 0 | 0 | 114.1 | S372 S378 | S372-W374 PolarHBondContact O-N 2.92Å; W374-S378 WeakPolarHBondContact O-CB 3.43Å; W374-S378 PolarHBondContact O-N 3.36Å; W374-S378 VanDerWaalsContact O-N 3.08Å |
| 375 | K | 86.2 | Confident | 86.9 | Confident | 117 Ų | 117 | 95.5 Ų | 95.5 | 51% | 0.509 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -73 | -37.3 | 176.4 | -175.3 | -179.4 | 179.6 | -177 | 0 | 110.7 | S372 A373 S378 R379 | S372-K375 PolarHBondContact O-N 3Å; S372-K375 VanDerWaalsContact O-N 3.09Å; S372-K375 WeakPolarHBondContact OG-CB 3.37Å; A373-K375 PolarHBondContact O-N 3.36Å; K375-S378 PolarHBondContact O-OG 3.47Å; K375-R379 WeakPolarHBondContact O-CG 3.49Å |
| 376 | T | 86.7 | Confident | 86.8 | Confident | 40 Ų | 40 | 92.6 Ų | 92.6 | 25% | 0.245 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -66.1 | -48.5 | 174.1 | -54.4 | 0 | 0 | 0 | 0 | 110.6 | S372 A373 S378 R379 I380 F386 | S372-T376 PolarHBondContact O-N 3Å; S372-T376 PolarHBondContact O-OG1 3.14Å; A373-T376 PolarHBondContact O-N 3.09Å; T376-S378 VanDerWaalsContact C-N 3.28Å; T376-S378 PolarHBondContact O-N 3.03Å; T376-R379 PolarHBondContact O-N 3.17Å; T376-I380 PolarHBondContact O-N 3.02Å; T376-F386 HydrophobicContact CG2-CE1 4.19Å; T376-F386 HydrophobicContact CG2-CE2 4.48Å; T376-F386 HydrophobicContact CG2-CZ 3.87Å |
| 377 | V | 87.3 | Confident | 86.9 | Confident | 46 Ų | 46 | 94 Ų | 94 | 28% | 0.279 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.1 | -35.7 | 178.5 | 169.6 | 0 | 0 | 0 | 0 | 112.7 | A373 R379 I380 P383 | A373-V377 WeakPolarHBondContact O-CB 3.07Å; A373-V377 VanDerWaalsContact O-CG2 3.27Å; A373-V377 WeakPolarHBondContact O-CG2 3.46Å; A373-V377 PolarHBondContact O-N 2.91Å; V377-R379 PolarHBondContact O-N 3.04Å; V377-I380 HydrophobicContact CG2-CD1 4.4Å; V377-I380 VanDerWaalsContact O-CG1 3.3Å; V377-I380 WeakPolarHBondContact O-CG1 3.48Å; V377-P383 HydrophobicContact CG1-CB 4.02Å; V377-P383 HydrophobicContact CG1-CG 4.16Å |
| 378 | S | 86.8 | Confident | 87.1 | Confident | 92 Ų | 92 | 91.7 Ų | 91.7 | 64% | 0.643 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -18.4 | 176.7 | 70.2 | 0 | 0 | 0 | 0 | 115.1 | W374 K375 T376 | W374-S378 WeakPolarHBondContact O-CB 3.43Å; W374-S378 PolarHBondContact O-N 3.36Å; W374-S378 VanDerWaalsContact O-N 3.08Å; K375-S378 PolarHBondContact O-OG 3.47Å; T376-S378 VanDerWaalsContact C-N 3.28Å; T376-S378 PolarHBondContact O-N 3.03Å |
| 379 | R | 89.5 | Confident | 87.2 | Confident | 191 Ų | 191 | 91 Ų | 91 | 72% | 0.721 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.4 | -17.5 | -173 | -70.8 | 176.6 | 175.1 | -161.4 | -5.9 | 113.5 | K375 T376 V377 | K375-R379 WeakPolarHBondContact O-CG 3.49Å; T376-R379 PolarHBondContact O-N 3.17Å; V377-R379 PolarHBondContact O-N 3.04Å |
| 380 | I | 89.6 | Confident | 87.6 | Confident | 49 Ų | 49 | 85.9 Ų | 85.9 | 25% | 0.251 | 44% | 0.439 | S | S | . | . | trans | -89.9 | 143.8 | -176.6 | 56 | 177.7 | 0 | 0 | 0 | 111.1 | T376 V377 P383 F386 | T376-I380 PolarHBondContact O-N 3.02Å; V377-I380 HydrophobicContact CG2-CD1 4.4Å; V377-I380 VanDerWaalsContact O-CG1 3.3Å; V377-I380 WeakPolarHBondContact O-CG1 3.48Å; I380-P383 HydrophobicContact CD1-CB 4.37Å; I380-P383 HydrophobicContact CG1-CG 4.29Å; I380-F386 HydrophobicContact CD1-CB 3.45Å; I380-F386 VanDerWaalsContact CD1-CB 3.45Å; I380-F386 HydrophobicContact CD1-CD1 3.52Å; I380-F386 HydrophobicContact CD1-CD2 4.32Å; I380-F386 HydrophobicContact CD1-CE1 4.35Å; I380-F386 HydrophobicContact CD1-CG 3.5Å; I380-F386 VanDerWaalsContact CD1-CG 3.5Å | ||
| 381 | Q | 88.1 | Confident | 87.8 | Confident | 199 Ų | 199 | 87.3 Ų | 87.3 | 93% | 0.93 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -70.5 | -36.6 | -178.3 | -69.7 | -177.9 | -4 | 0 | 0 | 112.9 | ||
| 382 | S | 88.9 | Confident | 87.9 | Confident | 56 Ų | 56 | 88.6 Ų | 88.6 | 39% | 0.392 | 46% | 0.457 | S | S | . | . | trans | -127.4 | 85.6 | -177 | 53.2 | 0 | 0 | 0 | 0 | 112 | K384 R385 F386 | S382-K384 VanDerWaalsContact C-N 3.26Å; S382-K384 PolarHBondContact O-N 3.09Å; S382-R385 PolarHBondContact O-N 3.2Å; S382-F386 PolarHBondContact O-N 3.38Å | ||
| 383 | P | 89.3 | Confident | 88.1 | Confident | 60 Ų | 60 | 88.6 Ų | 88.6 | 39% | 0.39 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -55.2 | -36.5 | -179.9 | -29.9 | 37 | 0 | 0 | 0 | 114.9 | V377 I380 F386 A387 | V377-P383 HydrophobicContact CG1-CB 4.02Å; V377-P383 HydrophobicContact CG1-CG 4.16Å; I380-P383 HydrophobicContact CD1-CB 4.37Å; I380-P383 HydrophobicContact CG1-CG 4.29Å; P383-F386 PolarHBondContact O-N 2.77Å; P383-A387 PolarHBondContact O-N 3.3Å |
| 384 | K | 87.9 | Confident | 88.3 | Confident | 163 Ų | 163 | 89.6 Ų | 89.6 | 71% | 0.709 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -64.3 | -49.8 | 179.9 | -171.9 | -177.8 | 177.6 | -175.7 | 0 | 112.1 | S382 F386 A387 D388 | S382-K384 VanDerWaalsContact C-N 3.26Å; S382-K384 PolarHBondContact O-N 3.09Å; K384-F386 VanDerWaalsContact C-N 3.25Å; K384-F386 PolarHBondContact O-N 3.23Å; K384-A387 PolarHBondContact O-N 3.18Å; K384-A387 VanDerWaalsContact O-N 3.14Å; K384-D388 VanDerWaalsContact O-CG 3.27Å; K384-D388 PolarHBondContact O-N 3.07Å |
| 385 | R | 89.3 | Confident | 88.6 | Confident | 88 Ų | 88 | 82.5 Ų | 82.5 | 33% | 0.332 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.2 | -36.7 | 178.4 | -178.3 | -179.7 | 168.6 | 176 | 0.5 | 111.8 | S382 F389 H395 E400 | S382-R385 PolarHBondContact O-N 3.2Å; R385-F389 WeakPolarHBondContact O-CB 3.27Å; R385-F389 PolarHBondContact O-N 3.25Å; R385-F389 VanDerWaalsContact O-N 3.07Å; R385-H395 PolarHBondContact NH2-O 2.94Å; R385-E400 IonicContact CZ-OE1 2.74Å; R385-E400 IonicContact CZ-OE2 3.55Å; R385-E400 IonicContact NH1-OE1 2.72Å; R385-E400 PolarHBondContact NH1-OE1 3.49Å; R385-E400 IonicContact NH1-OE2 3.09Å; R385-E400 VanDerWaalsContact NH2-CD 3.3Å; R385-E400 IonicContact NH2-OE1 3.43Å; R385-E400 PolarHBondContact NH2-OE1 3.04Å; R385-E400 VanDerWaalsContact NH2-OE1 3.09Å; R385-E400 IonicContact NH2-OE2 3.34Å; R385-E400 PolarHBondContact NH2-OE2 2.82Å |
| 386 | F | 90.2 | Very high | 88.7 | Confident | 47 Ų | 47 | 80.4 Ų | 80.4 | 21% | 0.206 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -66.6 | -43.7 | 174.9 | 176.2 | -103.3 | 0 | 0 | 0 | 112.3 | C366 T376 I380 S382 P383 K384 F389 V390 | C366-F386 HydrophobicContact CB-CZ 4.44Å; T376-F386 HydrophobicContact CG2-CE1 4.19Å; T376-F386 HydrophobicContact CG2-CE2 4.48Å; T376-F386 HydrophobicContact CG2-CZ 3.87Å; I380-F386 HydrophobicContact CD1-CB 3.45Å; I380-F386 VanDerWaalsContact CD1-CB 3.45Å; I380-F386 HydrophobicContact CD1-CD1 3.52Å; I380-F386 HydrophobicContact CD1-CD2 4.32Å; I380-F386 HydrophobicContact CD1-CE1 4.35Å; I380-F386 HydrophobicContact CD1-CG 3.5Å; I380-F386 VanDerWaalsContact CD1-CG 3.5Å; S382-F386 PolarHBondContact O-N 3.38Å; P383-F386 PolarHBondContact O-N 2.77Å; K384-F386 VanDerWaalsContact C-N 3.25Å; K384-F386 PolarHBondContact O-N 3.23Å; F386-F389 WeakPolarHBondContact O-CB 3.45Å; F386-F389 PolarHBondContact O-N 3Å; F386-V390 HydrophobicContact CD1-CG2 4.4Å; F386-V390 HydrophobicContact CD2-CG2 4.45Å; F386-V390 HydrophobicContact CE1-CG2 3.97Å; F386-V390 HydrophobicContact CE2-CG2 4.02Å; F386-V390 HydrophobicContact CZ-CG2 3.77Å; F386-V390 WeakPolarHBondContact O-CG2 3.49Å; F386-V390 PolarHBondContact O-N 3.21Å |
| 387 | A | 88.7 | Confident | 88.8 | Confident | 52 Ų | 52 | 80.8 Ų | 80.8 | 43% | 0.43 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.1 | -46.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | P383 K384 F389 V390 E391 | P383-A387 PolarHBondContact O-N 3.3Å; K384-A387 PolarHBondContact O-N 3.18Å; K384-A387 VanDerWaalsContact O-N 3.14Å; A387-F389 VanDerWaalsContact C-N 3.26Å; A387-F389 PolarHBondContact O-N 2.99Å; A387-V390 PolarHBondContact O-N 3.36Å; A387-V390 VanDerWaalsContact O-N 3.17Å; A387-E391 PolarHBondContact O-N 3.02Å |
| 388 | D | 89.9 | Confident | 88.9 | Confident | 67 Ų | 67 | 84 Ų | 84 | 36% | 0.358 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.5 | -37.5 | 177.5 | -60.6 | -24.4 | 0 | 0 | 0 | 111.5 | K384 G392 S393 | K384-D388 VanDerWaalsContact O-CG 3.27Å; K384-D388 PolarHBondContact O-N 3.07Å; D388-G392 PolarHBondContact O-N 3.28Å; D388-S393 WeakPolarHBondContact O-CB 3.45Å; D388-S393 PolarHBondContact O-N 3.1Å; D388-S393 PolarHBondContact O-OG 2.96Å; D388-S393 VanDerWaalsContact O-OG 3.04Å |
| 389 | F | 92.4 | Very high | 89.1 | Confident | 16 Ų | 16 | 85 Ų | 85 | 7% | 0.07 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -66.3 | -43.4 | 175.6 | 165.3 | -102.9 | 0 | 0 | 0 | 113.1 | L359 L362 R363 R385 F386 A387 E391 G392 H395 | L359-F389 HydrophobicContact CD2-CE2 4.17Å; L359-F389 HydrophobicContact CD2-CZ 4.03Å; L362-F389 HydrophobicContact CD2-CE1 3.98Å; L362-F389 HydrophobicContact CD2-CZ 4.21Å; L362-F389 HydrophobicContact CG-CE1 4.27Å; R363-F389 HydrophobicContact CG-CD1 4.47Å; R363-F389 HydrophobicContact CG-CE1 3.79Å; R363-F389 HydrophobicContact CG-CE2 4.12Å; R363-F389 HydrophobicContact CG-CZ 3.6Å; R363-F389 VanDerWaalsContact NE-CE2 3.34Å; R363-F389 PolarHBondContact NE-O 2.89Å; R363-F389 VanDerWaalsContact NE-O 3.14Å; R385-F389 WeakPolarHBondContact O-CB 3.27Å; R385-F389 PolarHBondContact O-N 3.25Å; R385-F389 VanDerWaalsContact O-N 3.07Å; F386-F389 WeakPolarHBondContact O-CB 3.45Å; F386-F389 PolarHBondContact O-N 3Å; A387-F389 VanDerWaalsContact C-N 3.26Å; A387-F389 PolarHBondContact O-N 2.99Å; F389-E391 VanDerWaalsContact C-N 3.27Å; F389-E391 PolarHBondContact O-N 3.27Å; F389-G392 PolarHBondContact O-N 3.41Å; F389-G392 VanDerWaalsContact O-N 3.09Å; F389-H395 HydrophobicContact CD2-CB 3.64Å; F389-H395 HydrophobicContact CE2-CB 3.75Å |
| 390 | V | 89.8 | Confident | 89.1 | Confident | 25 Ų | 25 | 79.2 Ų | 79.2 | 15% | 0.152 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -65.9 | -33.1 | 178.3 | 175 | 0 | 0 | 0 | 0 | 111 | C366 N367 F386 A387 G392 | C366-V390 HydrophobicContact CB-CG1 4.09Å; C366-V390 HydrophobicContact CB-CG2 3.79Å; N367-V390 WeakPolarHBondContact OD1-CG1 3.25Å; F386-V390 HydrophobicContact CD1-CG2 4.4Å; F386-V390 HydrophobicContact CD2-CG2 4.45Å; F386-V390 HydrophobicContact CE1-CG2 3.97Å; F386-V390 HydrophobicContact CE2-CG2 4.02Å; F386-V390 HydrophobicContact CZ-CG2 3.77Å; F386-V390 WeakPolarHBondContact O-CG2 3.49Å; F386-V390 PolarHBondContact O-N 3.21Å; A387-V390 PolarHBondContact O-N 3.36Å; A387-V390 VanDerWaalsContact O-N 3.17Å; V390-G392 PolarHBondContact O-N 2.73Å |
| 391 | E | 88.1 | Confident | 89.1 | Confident | 167 Ų | 167 | 80 Ų | 80 | 78% | 0.78 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -11.4 | 174.3 | -166.2 | 169.2 | -169.7 | 0 | 0 | 113.3 | A387 F389 | A387-E391 PolarHBondContact O-N 3.02Å; F389-E391 VanDerWaalsContact C-N 3.27Å; F389-E391 PolarHBondContact O-N 3.27Å |
| 392 | G | 86.5 | Confident | 89.1 | Confident | 43 Ų | 43 | 73.2 Ų | 73.2 | 44% | 0.443 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 120.2 | -2.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | R363 D388 F389 V390 | R363-G392 VanDerWaalsContact NH2-C 3.34Å; R363-G392 PolarHBondContact NH2-O 3.08Å; D388-G392 PolarHBondContact O-N 3.28Å; F389-G392 PolarHBondContact O-N 3.41Å; F389-G392 VanDerWaalsContact O-N 3.09Å; V390-G392 PolarHBondContact O-N 2.73Å |
| 393 | S | 89.2 | Confident | 89.2 | Confident | 63 Ų | 63 | 73.7 Ų | 73.7 | 44% | 0.441 | 42% | 0.416 | S | S | . | . | trans | -67.5 | 156.5 | 177 | -53.6 | 0 | 0 | 0 | 0 | 112.1 | R363 D388 H395 | R363-S393 PolarHBondContact NH2-O 3.01Å; D388-S393 WeakPolarHBondContact O-CB 3.45Å; D388-S393 PolarHBondContact O-N 3.1Å; D388-S393 PolarHBondContact O-OG 2.96Å; D388-S393 VanDerWaalsContact O-OG 3.04Å; S393-H395 PolarHBondContact O-N 3.44Å | ||
| 394 | S | 87.9 | Confident | 89.1 | Confident | 79 Ų | 79 | 76.4 Ų | 76.4 | 55% | 0.552 | 42% | 0.423 | S | S | * | . | trans | -55.3 | 139.6 | 177.3 | -177.9 | 0 | 0 | 0 | 0 | 111.6 | L396 | S394-L396 WeakPolarHBondContact CB-O 3.22Å; S394-L396 PolarHBondContact O-N 3.48Å; S394-L396 PolarHBondContact OG-N 3.31Å; S394-L396 PolarHBondContact OG-O 2.85Å | ||
| 395 | H | 87.8 | Confident | 89 | Confident | 72 Ų | 72 | 74.9 Ų | 74.9 | 33% | 0.333 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -68.7 | -20.5 | 173.5 | 66.9 | -71.5 | 0 | 0 | 0 | 112.4 | L359 R385 F389 S393 | L359-H395 WeakPolarHBondContact CD1-CE1 3.37Å; L359-H395 WeakPolarHBondContact CD1-ND1 3.49Å; L359-H395 HydrophobicContact CD2-CB 4.46Å; R385-H395 PolarHBondContact NH2-O 2.94Å; F389-H395 HydrophobicContact CD2-CB 3.64Å; F389-H395 HydrophobicContact CE2-CB 3.75Å; S393-H395 PolarHBondContact O-N 3.44Å |
| 396 | L | 89.8 | Confident | 88.7 | Confident | 73 Ų | 73 | 78.1 Ų | 78.1 | 38% | 0.382 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -102.1 | 138.1 | 177.6 | -56.8 | 176.1 | 0 | 0 | 0 | 110.6 | S394 V401 | S394-L396 WeakPolarHBondContact CB-O 3.22Å; S394-L396 PolarHBondContact O-N 3.48Å; S394-L396 PolarHBondContact OG-N 3.31Å; S394-L396 PolarHBondContact OG-O 2.85Å; L396-V401 HydrophobicContact CB-CG2 3.77Å; L396-V401 HydrophobicContact CD1-CG2 4.11Å |
| 397 | T | 88.9 | Confident | 88.4 | Confident | 48 Ų | 48 | 81 Ų | 81 | 29% | 0.294 | 45% | 0.451 | S | S | . | . | trans | -79.6 | 150.4 | 171.1 | 62.1 | 0 | 0 | 0 | 0 | 110.3 | N399 E400 V401 | T397-N399 PolarHBondContact O-N 3.31Å; T397-N399 VanDerWaalsContact O-N 3.13Å; T397-E400 PolarHBondContact N-OE2 3.36Å; T397-E400 PolarHBondContact O-N 3.48Å; T397-E400 WeakPolarHBondContact OG1-CG 3.4Å; T397-E400 PolarHBondContact OG1-N 3.33Å; T397-E400 PolarHBondContact OG1-OE2 3.01Å; T397-V401 PolarHBondContact O-N 2.84Å; T397-V401 VanDerWaalsContact O-N 3.08Å | ||
| 398 | P | 89.1 | Confident | 87.8 | Confident | 114 Ų | 114 | 85.5 Ų | 85.5 | 74% | 0.74 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -55.9 | -32.6 | 178.3 | -26.9 | 35 | 0 | 0 | 0 | 113.6 | V401 S402 | P398-V401 PolarHBondContact O-N 3.49Å; P398-S402 WeakPolarHBondContact O-CB 3.05Å; P398-S402 PolarHBondContact O-N 2.84Å; P398-S402 PolarHBondContact O-OG 3.48Å |
| 399 | N | 90.2 | Very high | 87.2 | Confident | 112 Ų | 112 | 83 Ų | 83 | 60% | 0.599 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -70.3 | -37.5 | 176.7 | -171.2 | 75 | 0 | 0 | 0 | 112.7 | T397 V401 S402 V403 | T397-N399 PolarHBondContact O-N 3.31Å; T397-N399 VanDerWaalsContact O-N 3.13Å; N399-V401 VanDerWaalsContact C-N 3.35Å; N399-S402 WeakPolarHBondContact CA-OG 3.33Å; N399-S402 PolarHBondContact O-N 2.82Å; N399-S402 PolarHBondContact O-OG 2.7Å; N399-V403 WeakPolarHBondContact O-CB 3.5Å; N399-V403 WeakPolarHBondContact O-CG2 3.34Å; N399-V403 PolarHBondContact O-N 3.09Å |
| 400 | E | 90.1 | Very high | 86.2 | Confident | 71 Ų | 71 | 88.6 Ų | 88.6 | 33% | 0.332 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.1 | -39.1 | 174.4 | -73.2 | 161.1 | 158.4 | 0 | 0 | 111.1 | R385 T397 V403 H404 | R385-E400 IonicContact CZ-OE1 2.74Å; R385-E400 IonicContact CZ-OE2 3.55Å; R385-E400 IonicContact NH1-OE1 2.72Å; R385-E400 PolarHBondContact NH1-OE1 3.49Å; R385-E400 IonicContact NH1-OE2 3.09Å; R385-E400 VanDerWaalsContact NH2-CD 3.3Å; R385-E400 IonicContact NH2-OE1 3.43Å; R385-E400 PolarHBondContact NH2-OE1 3.04Å; R385-E400 VanDerWaalsContact NH2-OE1 3.09Å; R385-E400 IonicContact NH2-OE2 3.34Å; R385-E400 PolarHBondContact NH2-OE2 2.82Å; T397-E400 PolarHBondContact N-OE2 3.36Å; T397-E400 PolarHBondContact O-N 3.48Å; T397-E400 WeakPolarHBondContact OG1-CG 3.4Å; T397-E400 PolarHBondContact OG1-N 3.33Å; T397-E400 PolarHBondContact OG1-OE2 3.01Å; E400-V403 PolarHBondContact O-N 3.29Å; E400-H404 WeakPolarHBondContact O-CB 3.49Å; E400-H404 PolarHBondContact O-N 3.14Å |
| 401 | V | 89.3 | Confident | 85.2 | Confident | 66 Ų | 66 | 90 Ų | 90 | 40% | 0.4 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.3 | -45.3 | 175.4 | 179.6 | 0 | 0 | 0 | 0 | 110.5 | L396 T397 P398 N399 V403 H404 E405 | L396-V401 HydrophobicContact CB-CG2 3.77Å; L396-V401 HydrophobicContact CD1-CG2 4.11Å; T397-V401 PolarHBondContact O-N 2.84Å; T397-V401 VanDerWaalsContact O-N 3.08Å; P398-V401 PolarHBondContact O-N 3.49Å; N399-V401 VanDerWaalsContact C-N 3.35Å; V401-V403 PolarHBondContact O-N 3.13Å; V401-H404 PolarHBondContact O-N 3.08Å; V401-E405 WeakPolarHBondContact O-CB 3.19Å; V401-E405 PolarHBondContact O-N 3.21Å |
| 402 | S | 87.8 | Confident | 84.1 | Confident | 55 Ų | 55 | 83 Ų | 83 | 39% | 0.385 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.3 | -37.9 | 178.9 | 64.3 | 0 | 0 | 0 | 0 | 112.8 | P398 N399 E405 Q406 | P398-S402 WeakPolarHBondContact O-CB 3.05Å; P398-S402 PolarHBondContact O-N 2.84Å; P398-S402 PolarHBondContact O-OG 3.48Å; N399-S402 WeakPolarHBondContact CA-OG 3.33Å; N399-S402 PolarHBondContact O-N 2.82Å; N399-S402 PolarHBondContact O-OG 2.7Å; S402-E405 PolarHBondContact O-N 3.29Å; S402-Q406 VanDerWaalsContact O-CB 3.28Å; S402-Q406 WeakPolarHBondContact O-CB 3.44Å; S402-Q406 PolarHBondContact O-N 3.36Å |
| 403 | V | 90.4 | Very high | 83.1 | Confident | 67 Ų | 67 | 85 Ų | 85 | 41% | 0.406 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.6 | -44.3 | 175 | 170.2 | 0 | 0 | 0 | 0 | 110.4 | N399 E400 V401 E405 Q406 E407 | N399-V403 WeakPolarHBondContact O-CB 3.5Å; N399-V403 WeakPolarHBondContact O-CG2 3.34Å; N399-V403 PolarHBondContact O-N 3.09Å; E400-V403 PolarHBondContact O-N 3.29Å; V401-V403 PolarHBondContact O-N 3.13Å; V403-E405 PolarHBondContact O-N 3.11Å; V403-Q406 PolarHBondContact O-N 3.49Å; V403-E407 WeakPolarHBondContact O-CB 3.42Å; V403-E407 PolarHBondContact O-N 3.33Å |
| 404 | H | 87.3 | Confident | 82.1 | Confident | 117 Ų | 117 | 86 Ų | 86 | 54% | 0.542 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64 | -40.5 | 176.6 | -178 | -76.4 | 0 | 0 | 0 | 112.2 | E400 V401 Q406 E407 Y408 | E400-H404 WeakPolarHBondContact O-CB 3.49Å; E400-H404 PolarHBondContact O-N 3.14Å; V401-H404 PolarHBondContact O-N 3.08Å; H404-Q406 VanDerWaalsContact C-N 3.32Å; H404-E407 PolarHBondContact O-N 3.44Å; H404-Y408 AromaticContact CD2-CD2 3.8Å; H404-Y408 AromaticContact NE2-CD2 3.9Å; H404-Y408 WeakPolarHBondContact O-CA 3.3Å; H404-Y408 WeakPolarHBondContact O-CB 3.3Å; H404-Y408 PolarHBondContact O-N 3.2Å |
| 405 | E | 86 | Confident | 81.1 | Confident | 131 Ų | 131 | 84.2 Ų | 84.2 | 61% | 0.612 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -67.9 | -32.9 | 175.4 | -170.8 | 173.5 | -171.5 | 0 | 0 | 111.9 | V401 S402 V403 G409 | V401-E405 WeakPolarHBondContact O-CB 3.19Å; V401-E405 PolarHBondContact O-N 3.21Å; S402-E405 PolarHBondContact O-N 3.29Å; V403-E405 PolarHBondContact O-N 3.11Å; E405-G409 WeakPolarHBondContact O-CA 3.28Å; E405-G409 PolarHBondContact O-N 3.29Å |
| 406 | Q | 84.3 | Confident | 79.9 | Confident | 155 Ų | 155 | 85.7 Ų | 85.7 | 72% | 0.724 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -71.8 | -34.2 | 173.6 | -175 | 177.1 | -5 | 0 | 0 | 112.6 | S402 V403 H404 S412 | S402-Q406 VanDerWaalsContact O-CB 3.28Å; S402-Q406 WeakPolarHBondContact O-CB 3.44Å; S402-Q406 PolarHBondContact O-N 3.36Å; V403-Q406 PolarHBondContact O-N 3.49Å; H404-Q406 VanDerWaalsContact C-N 3.32Å; Q406-S412 WeakPolarHBondContact O-CB 3.45Å |
| 407 | E | 82.1 | Confident | 78.6 | Confident | 107 Ų | 107 | 87.1 Ų | 87.1 | 50% | 0.5 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -87.4 | -34.2 | -176.9 | -169 | 168.8 | -162 | 0 | 0 | 112.8 | V403 H404 S412 | V403-E407 WeakPolarHBondContact O-CB 3.42Å; V403-E407 PolarHBondContact O-N 3.33Å; H404-E407 PolarHBondContact O-N 3.44Å; E407-S412 WeakPolarHBondContact O-CB 3.41Å; E407-S412 PolarHBondContact O-OG 2.94Å |
| 408 | Y | 77 | Confident | 77.4 | Confident | 147 Ų | 147 | 91.2 Ų | 91.2 | 58% | 0.576 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -126.7 | 0.4 | -173.1 | -59.5 | -77 | 0 | 0 | 0 | 114.2 | H404 | H404-Y408 AromaticContact CD2-CD2 3.8Å; H404-Y408 AromaticContact NE2-CD2 3.9Å; H404-Y408 WeakPolarHBondContact O-CA 3.3Å; H404-Y408 WeakPolarHBondContact O-CB 3.3Å; H404-Y408 PolarHBondContact O-N 3.2Å |
| 409 | G | 76.3 | Confident | 76.1 | Confident | 14 Ų | 14 | 91 Ų | 91 | 14% | 0.144 | 48% | 0.479 | C | S | . | . | S | Bend | trans | -79.2 | 174.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | E405 G411 S412 I413 | E405-G409 WeakPolarHBondContact O-CA 3.28Å; E405-G409 PolarHBondContact O-N 3.29Å; G409-G411 PolarHBondContact O-N 3.23Å; G409-G411 VanDerWaalsContact O-N 3.1Å; G409-S412 WeakPolarHBondContact O-CB 3.34Å; G409-S412 PolarHBondContact O-N 3.37Å; G409-I413 PolarHBondContact O-N 2.89Å |
| 410 | L | 72.8 | Confident | 74.6 | Confident | 134 Ų | 134 | 94 Ų | 94 | 70% | 0.702 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -55.5 | -33.4 | -175.3 | -164.4 | 75 | 0 | 0 | 0 | 113 | I413 I414 | L410-I413 PolarHBondContact O-N 2.69Å; L410-I414 HydrophobicContact CD2-CD1 4.3Å; L410-I414 HydrophobicContact CG-CD1 3.94Å; L410-I414 WeakPolarHBondContact O-CD1 3.38Å; L410-I414 WeakPolarHBondContact O-CG1 3.38Å; L410-I414 PolarHBondContact O-N 2.94Å |
| 411 | G | 68.3 | Low | 73.1 | Confident | 55 Ų | 55 | 97.6 Ų | 97.6 | 57% | 0.567 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -68.3 | -29.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | G409 A415 | G409-G411 PolarHBondContact O-N 3.23Å; G409-G411 VanDerWaalsContact O-N 3.1Å; G411-A415 VanDerWaalsContact O-CB 3.3Å; G411-A415 WeakPolarHBondContact O-CB 3.21Å; G411-A415 PolarHBondContact O-N 2.89Å; G411-A415 VanDerWaalsContact O-N 3.11Å |
| 412 | S | 64.4 | Low | 71.5 | Confident | 21 Ų | 21 | 101.4 Ų | 101.4 | 15% | 0.147 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -74 | -40.9 | 174.3 | -174.4 | 0 | 0 | 0 | 0 | 111.5 | Q406 E407 G409 A415 Q416 | Q406-S412 WeakPolarHBondContact O-CB 3.45Å; E407-S412 WeakPolarHBondContact O-CB 3.41Å; E407-S412 PolarHBondContact O-OG 2.94Å; G409-S412 WeakPolarHBondContact O-CB 3.34Å; G409-S412 PolarHBondContact O-N 3.37Å; S412-A415 PolarHBondContact O-N 2.72Å; S412-Q416 WeakPolarHBondContact O-CB 3.43Å; S412-Q416 WeakPolarHBondContact O-CG 3.44Å; S412-Q416 PolarHBondContact O-N 3.4Å |
| 413 | I | 65.9 | Low | 70 | Confident | 84 Ų | 84 | 101.4 Ų | 101.4 | 43% | 0.431 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.5 | -43.4 | 178.6 | -60.2 | 170.5 | 0 | 0 | 0 | 110.2 | G409 L410 Q416 D417 | G409-I413 PolarHBondContact O-N 2.89Å; L410-I413 PolarHBondContact O-N 2.69Å; I413-Q416 PolarHBondContact O-N 2.9Å; I413-D417 PolarHBondContact O-N 3.49Å |
| 414 | I | 68.3 | Low | 68.2 | Low | 84 Ų | 84 | 101.2 Ų | 101.2 | 43% | 0.431 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.9 | -41.9 | 175.7 | -65.8 | 165.3 | 0 | 0 | 0 | 111.2 | L410 Q416 D417 E418 | L410-I414 HydrophobicContact CD2-CD1 4.3Å; L410-I414 HydrophobicContact CG-CD1 3.94Å; L410-I414 WeakPolarHBondContact O-CD1 3.38Å; L410-I414 WeakPolarHBondContact O-CG1 3.38Å; L410-I414 PolarHBondContact O-N 2.94Å; I414-Q416 VanDerWaalsContact C-N 3.34Å; I414-Q416 PolarHBondContact O-N 2.96Å; I414-D417 PolarHBondContact O-N 3.36Å; I414-E418 WeakPolarHBondContact O-CG 3.47Å; I414-E418 PolarHBondContact O-N 3.41Å |
| 415 | A | 66.4 | Low | 66.5 | Low | 42 Ų | 42 | 100 Ų | 100 | 35% | 0.347 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.6 | -34.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | G411 S412 I419 | G411-A415 VanDerWaalsContact O-CB 3.3Å; G411-A415 WeakPolarHBondContact O-CB 3.21Å; G411-A415 PolarHBondContact O-N 2.89Å; G411-A415 VanDerWaalsContact O-N 3.11Å; S412-A415 PolarHBondContact O-N 2.72Å; A415-I419 WeakPolarHBondContact O-CB 3.21Å; A415-I419 VanDerWaalsContact O-CD1 3.31Å; A415-I419 WeakPolarHBondContact O-CD1 3.31Å; A415-I419 WeakPolarHBondContact O-CG1 3.3Å; A415-I419 PolarHBondContact O-N 2.88Å |
| 416 | Q | 63.3 | Low | 64.8 | Low | 103 Ų | 103 | 102.1 Ų | 102.1 | 48% | 0.481 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66 | -46.2 | 171.1 | -81.3 | 173 | 2.4 | 0 | 0 | 110.9 | S412 I413 I414 E418 I419 Y420 | S412-Q416 WeakPolarHBondContact O-CB 3.43Å; S412-Q416 WeakPolarHBondContact O-CG 3.44Å; S412-Q416 PolarHBondContact O-N 3.4Å; I413-Q416 PolarHBondContact O-N 2.9Å; I414-Q416 VanDerWaalsContact C-N 3.34Å; I414-Q416 PolarHBondContact O-N 2.96Å; Q416-E418 VanDerWaalsContact C-N 3.32Å; Q416-E418 PolarHBondContact O-N 2.86Å; Q416-I419 PolarHBondContact O-N 3.35Å; Q416-Y420 WeakPolarHBondContact O-CB 3.15Å; Q416-Y420 VanDerWaalsContact O-CD2 3.23Å; Q416-Y420 WeakPolarHBondContact O-CD2 3.47Å; Q416-Y420 PolarHBondContact O-N 2.73Å |
| 417 | D | 61.8 | Low | 62.9 | Low | 103 Ų | 103 | 103 Ų | 103 | 55% | 0.551 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -59.9 | -39.5 | 175.7 | -84.5 | -10.8 | 0 | 0 | 0 | 112.1 | I413 I414 Y420 E421 | I413-D417 PolarHBondContact O-N 3.49Å; I414-D417 PolarHBondContact O-N 3.36Å; D417-Y420 PolarHBondContact O-N 2.96Å; D417-E421 WeakPolarHBondContact O-CG 3.42Å; D417-E421 PolarHBondContact O-N 3.2Å |
| 418 | E | 63.9 | Low | 60.9 | Low | 133 Ų | 133 | 106.1 Ų | 106.1 | 62% | 0.621 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -65.1 | -41.3 | 174.4 | -75.5 | -179.7 | 176.9 | 0 | 0 | 112.5 | I414 Q416 Y420 E421 E422 | I414-E418 WeakPolarHBondContact O-CG 3.47Å; I414-E418 PolarHBondContact O-N 3.41Å; Q416-E418 VanDerWaalsContact C-N 3.32Å; Q416-E418 PolarHBondContact O-N 2.86Å; E418-Y420 VanDerWaalsContact C-N 3.35Å; E418-E421 PolarHBondContact O-N 3.22Å; E418-E422 WeakPolarHBondContact O-CB 3.49Å; E418-E422 PolarHBondContact O-N 3.04Å |
| 419 | I | 62.2 | Low | 58.9 | Low | 111 Ų | 111 | 106.8 Ų | 106.8 | 57% | 0.569 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -67.6 | -36.1 | 175.4 | -68.2 | 163.6 | 0 | 0 | 0 | 111.2 | A415 Q416 A423 | A415-I419 WeakPolarHBondContact O-CB 3.21Å; A415-I419 VanDerWaalsContact O-CD1 3.31Å; A415-I419 WeakPolarHBondContact O-CD1 3.31Å; A415-I419 WeakPolarHBondContact O-CG1 3.3Å; A415-I419 PolarHBondContact O-N 2.88Å; Q416-I419 PolarHBondContact O-N 3.35Å; I419-A423 VanDerWaalsContact O-CB 3.26Å; I419-A423 WeakPolarHBondContact O-CB 3.44Å; I419-A423 PolarHBondContact O-N 2.83Å |
| 420 | Y | 57.9 | Low | 56.8 | Low | 173 Ų | 173 | 111.1 Ų | 111.1 | 68% | 0.678 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -70.1 | -37.6 | 175.4 | -92.2 | -80.1 | 0 | 0 | 0 | 111.9 | Q416 D417 E418 S424 | Q416-Y420 WeakPolarHBondContact O-CB 3.15Å; Q416-Y420 VanDerWaalsContact O-CD2 3.23Å; Q416-Y420 WeakPolarHBondContact O-CD2 3.47Å; Q416-Y420 PolarHBondContact O-N 2.73Å; D417-Y420 PolarHBondContact O-N 2.96Å; E418-Y420 VanDerWaalsContact C-N 3.35Å; Y420-S424 VanDerWaalsContact O-CB 3.3Å; Y420-S424 WeakPolarHBondContact O-CB 3.26Å; Y420-S424 PolarHBondContact O-N 3.44Å; Y420-S424 PolarHBondContact O-OG 3.2Å |
| 421 | E | 58.5 | Low | 55 | Low | 148 Ų | 148 | 114.9 Ų | 114.9 | 69% | 0.692 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -67.1 | -43.2 | 172.9 | -77.2 | -127.5 | 159.7 | 0 | 0 | 111.8 | D417 E418 A423 S424 S425 | D417-E421 WeakPolarHBondContact O-CG 3.42Å; D417-E421 PolarHBondContact O-N 3.2Å; E418-E421 PolarHBondContact O-N 3.22Å; E421-A423 PolarHBondContact O-N 3.49Å; E421-S424 WeakPolarHBondContact CA-OG 3.23Å; E421-S424 PolarHBondContact O-N 2.95Å; E421-S424 PolarHBondContact O-OG 2.76Å; E421-S425 PolarHBondContact O-N 2.83Å |
| 422 | E | 56.4 | Low | 53.4 | Low | 145 Ų | 145 | 116.8 Ų | 116.8 | 68% | 0.678 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -65.3 | -40.4 | 178.4 | -156.3 | 167.8 | -151.4 | 0 | 0 | 111.5 | E418 S425 | E418-E422 WeakPolarHBondContact O-CB 3.49Å; E418-E422 PolarHBondContact O-N 3.04Å; E422-S425 PolarHBondContact O-N 3.49Å; E422-S425 PolarHBondContact O-OG 3.48Å |
| 423 | A | 56.8 | Low | 52 | Low | 56 Ų | 56 | 127.1 Ų | 127.1 | 46% | 0.463 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -68.8 | -31.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | I419 E421 S425 E426 | I419-A423 VanDerWaalsContact O-CB 3.26Å; I419-A423 WeakPolarHBondContact O-CB 3.44Å; I419-A423 PolarHBondContact O-N 2.83Å; E421-A423 PolarHBondContact O-N 3.49Å; A423-S425 VanDerWaalsContact C-N 3.29Å; A423-S425 PolarHBondContact O-N 3.45Å; A423-E426 PolarHBondContact O-N 3.38Å |
| 424 | S | 52.9 | Low | 50.2 | Low | 63 Ų | 63 | 129.1 Ų | 129.1 | 44% | 0.441 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -71.2 | -24.6 | 176.7 | 74.2 | 0 | 0 | 0 | 0 | 113.2 | Y420 E421 E426 | Y420-S424 VanDerWaalsContact O-CB 3.3Å; Y420-S424 WeakPolarHBondContact O-CB 3.26Å; Y420-S424 PolarHBondContact O-N 3.44Å; Y420-S424 PolarHBondContact O-OG 3.2Å; E421-S424 WeakPolarHBondContact CA-OG 3.23Å; E421-S424 PolarHBondContact O-N 2.95Å; E421-S424 PolarHBondContact O-OG 2.76Å; S424-E426 VanDerWaalsContact C-N 3.3Å; S424-E426 PolarHBondContact O-N 2.99Å |
| 425 | S | 51 | Low | 48.9 | Very low | 91 Ų | 91 | 131.3 Ų | 131.3 | 64% | 0.636 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -15.7 | 178.7 | 74.8 | 0 | 0 | 0 | 0 | 114.2 | E421 E422 A423 | E421-S425 PolarHBondContact O-N 2.83Å; E422-S425 PolarHBondContact O-N 3.49Å; E422-S425 PolarHBondContact O-OG 3.48Å; A423-S425 VanDerWaalsContact C-N 3.29Å; A423-S425 PolarHBondContact O-N 3.45Å |
| 426 | E | 49.7 | Very low | 47.2 | Very low | 175 Ų | 175 | 134.1 Ų | 134.1 | 82% | 0.818 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | -9.5 | 176.6 | -65.2 | -167 | 163.3 | 0 | 0 | 113.7 | A423 S424 | A423-E426 PolarHBondContact O-N 3.38Å; S424-E426 VanDerWaalsContact C-N 3.3Å; S424-E426 PolarHBondContact O-N 2.99Å |
| 427 | E | 45.6 | Very low | 45.8 | Very low | 173 Ų | 173 | 137.5 Ų | 137.5 | 81% | 0.808 | 72% | 0.723 | S | S | * | * | trans | -127.2 | 19.5 | -173.1 | -67.2 | -161.8 | 169.3 | 0 | 0 | 116 | D429 | E427-D429 PolarHBondContact O-N 3.21Š| ||
| 428 | E | 39.6 | Very low | 44.4 | Very low | 174 Ų | 174 | 138.7 Ų | 138.7 | 81% | 0.813 | 73% | 0.734 | S | S | * | * | trans | -87.2 | 76.7 | 167.9 | -80.1 | -159.3 | 158.1 | 0 | 0 | 112.5 | ||||
| 429 | D | 35.4 | Very low | 42.9 | Very low | 160 Ų | 160 | 140.4 Ų | 140.4 | 86% | 0.856 | 74% | 0.742 | S | S | * | * | trans | -158.9 | 83.9 | 153.8 | -102.1 | -24.2 | 0 | 0 | 0 | 110.3 | E427 | E427-D429 PolarHBondContact O-N 3.21Š| ||
| 430 | S | 31.7 | Very low | 41.6 | Very low | 105 Ų | 105 | 142.1 Ų | 142.1 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | trans | 166.1 | 95.4 | 139 | 176.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 431 | Y | 35.1 | Very low | 40.6 | Very low | 213 Ų | 213 | 140.6 Ų | 140.6 | 84% | 0.835 | 76% | 0.756 | S | S | * | * | trans | 52.3 | 121.2 | 131 | -76.7 | -79.2 | 0 | 0 | 0 | 124.1 | ||||
| 432 | S | 35.3 | Very low | 39.6 | Very low | 96 Ų | 96 | 143.3 Ų | 143.3 | 67% | 0.671 | 77% | 0.766 | S | S | * | * | 90.9 | 107.4 | 118.6 | -83.3 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 433 | R | 33.5 | Very low | 38.8 | Very low | 237 Ų | 237 | 144 Ų | 144 | 89% | 0.894 | 77% | 0.774 | S | S | * | * | 72.4 | 109.6 | 107 | -152.2 | 174.9 | -154.1 | 159.2 | 6.1 | 120.1 | |||||
| 434 | C | 29.5 | Very low | 37.8 | Very low | 126 Ų | 126 | 151.1 Ų | 151.1 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 156.4 | 162.5 | -59 | 0 | 0 | 0 | 0 | 113.1 | ||
| 435 | P | 40 | Very low | 37.1 | Very low | 131 Ų | 131 | 155.5 Ų | 155.5 | 85% | 0.851 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 158.7 | 169.4 | 36.5 | -28 | 0 | 0 | 0 | 114.5 | ||
| 436 | A | 32.1 | Very low | 36.3 | Very low | 101 Ų | 101 | 158.9 Ų | 158.9 | 84% | 0.835 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 160.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 437 | I | 32.1 | Very low | 35.6 | Very low | 173 Ų | 173 | 158 Ų | 158 | 89% | 0.887 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 133.9 | -179.2 | -67.3 | 168.3 | 0 | 0 | 0 | 111 | ||
| 438 | T | 33.6 | Very low | 35 | Very low | 128 Ų | 128 | 157.1 Ų | 157.1 | 79% | 0.785 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 135.1 | 179.3 | -37.9 | 0 | 0 | 0 | 0 | 112.7 | ||
| 439 | Q | 32.3 | Very low | 34.7 | Very low | 170 Ų | 170 | 156.1 Ų | 156.1 | 79% | 0.794 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 128.1 | 177.1 | -170.4 | -180 | 13.9 | 0 | 0 | 109.6 | ||
| 440 | N | 34.2 | Very low | 34.7 | Very low | 147 Ų | 147 | 155.8 Ų | 155.8 | 79% | 0.786 | 85% | 0.845 | S | S | * | * | trans | -112.3 | 117.2 | 172.1 | -86.9 | -6.5 | 0 | 0 | 0 | 111.1 | ||||
| 441 | N | 36.9 | Very low | 34.9 | Very low | 141 Ų | 141 | 159.4 Ų | 159.4 | 75% | 0.754 | 85% | 0.852 | S | S | * | * | trans | -84.7 | 142.7 | 161.6 | -78.1 | -28.4 | 0 | 0 | 0 | 109.6 | ||||
| 442 | F | 38.7 | Very low | 34.9 | Very low | 205 Ų | 205 | 155.3 Ų | 155.3 | 90% | 0.899 | 85% | 0.854 | S | S | * | * | trans | -138.8 | 124 | 150.9 | -99.3 | -81.8 | 0 | 0 | 0 | 109.8 | ||||
| 443 | L | 38.2 | Very low | 34.9 | Very low | 159 Ų | 159 | 160.3 Ų | 160.3 | 83% | 0.832 | 87% | 0.869 | S | S | * | * | trans | -126.2 | 146.4 | 171.7 | -156.1 | 145.3 | 0 | 0 | 0 | 105.6 | ||||
| 444 | T | 37.3 | Very low | 35 | Very low | 205 Ų | 205 | 153.3 Ų | 153.3 | 100% | 1.258 | 87% | 0.867 | S | S | * | * | trans | 96.9 | 0 | 179.7 | -17.7 | 0 | 0 | 0 | 0 | 115.9 |
Retrieved 444 of 444 residues in 757.9 ms
(Link to these results)