| 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 | 48.4 | Very low | 60.1 | Low | 245 Ų | 245 | 132.8 Ų | 132.8 | 100% | 1.207 | 74% | 0.737 | S | S | * | * | 0 | 100.9 | 0 | -83.3 | 170.9 | 158 | 0 | 0 | 108.3 | |||||
| 2 | L | 44.7 | Very low | 61.2 | Low | 168 Ų | 168 | 129.3 Ų | 129.3 | 88% | 0.88 | 72% | 0.715 | S | S | * | * | trans | -150.2 | 110.2 | 164.2 | -94.5 | 167 | 0 | 0 | 0 | 105.4 | G4 | L2-G4 PolarHBondContact O-N 3.37Š| ||
| 3 | P | 55.6 | Low | 62 | Low | 142 Ų | 142 | 129.8 Ų | 129.8 | 92% | 0.922 | 71% | 0.706 | S | S | * | * | trans | -84.4 | 93.1 | 173.6 | 32.2 | -25.8 | 0 | 0 | 0 | 107.6 | ||||
| 4 | G | 57.1 | Low | 62.7 | Low | 55 Ų | 55 | 128.4 Ų | 128.4 | 57% | 0.567 | 70% | 0.697 | S | S | * | * | trans | -127.6 | 1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | L2 | L2-G4 PolarHBondContact O-N 3.37Š| ||
| 5 | S | 60.7 | Low | 63.4 | Low | 86 Ų | 86 | 125.2 Ų | 125.2 | 60% | 0.601 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -104.4 | -2.4 | -166.6 | -44.1 | 0 | 0 | 0 | 0 | 115.8 | ||
| 6 | S | 60.9 | Low | 63.7 | Low | 102 Ų | 102 | 123.5 Ų | 123.5 | 71% | 0.713 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -86.1 | -21.1 | -173.9 | -155.4 | 0 | 0 | 0 | 0 | 114.3 | ||
| 7 | V | 64.9 | Low | 64.1 | Low | 106 Ų | 106 | 123.5 Ų | 123.5 | 64% | 0.642 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -77.9 | -23.5 | -172.5 | -175 | 0 | 0 | 0 | 0 | 112.6 | I9 L11 | V7-I9 PolarHBondContact O-N 2.98Å; V7-L11 PolarHBondContact O-N 3.46Å |
| 8 | Y | 63.9 | Low | 64.3 | Low | 189 Ų | 189 | 121.1 Ų | 121.1 | 74% | 0.741 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -74.3 | -21.3 | -177.9 | -85.3 | -81.6 | 0 | 0 | 0 | 114.4 | L12 | Y8-L12 PolarHBondContact O-N 2.89Å |
| 9 | I | 66.7 | Low | 64 | Low | 118 Ų | 118 | 122.7 Ų | 122.7 | 61% | 0.605 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -80 | -38.2 | -179.2 | -66.6 | 176.6 | 0 | 0 | 0 | 111 | V7 L12 F13 | V7-I9 PolarHBondContact O-N 2.98Å; I9-L12 PolarHBondContact O-N 2.7Å; I9-F13 PolarHBondContact O-N 3.48Å |
| 10 | E | 69.4 | Low | 63.7 | Low | 142 Ų | 142 | 121.5 Ų | 121.5 | 66% | 0.664 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -64.4 | -42.4 | 175.1 | -81.9 | -91.8 | 145.3 | 0 | 0 | 111.9 | L12 F13 L14 | E10-L12 VanDerWaalsContact C-N 3.31Å; E10-L12 PolarHBondContact O-N 3.11Å; E10-F13 PolarHBondContact O-N 3.4Å; E10-L14 PolarHBondContact O-N 2.81Å |
| 11 | L | 69.4 | Low | 63.3 | Low | 108 Ų | 108 | 120.6 Ų | 120.6 | 57% | 0.565 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -66.6 | -33 | 178.4 | -117.3 | 92.9 | 0 | 0 | 0 | 112.7 | V7 L14 V15 | V7-L11 PolarHBondContact O-N 3.46Å; L11-L14 PolarHBondContact O-N 2.88Å; L11-V15 WeakPolarHBondContact O-CG2 3.35Å; L11-V15 PolarHBondContact O-N 3.23Å; L11-V15 VanDerWaalsContact O-N 3.12Å |
| 12 | L | 72.9 | Confident | 63.6 | Low | 91 Ų | 91 | 113.6 Ų | 113.6 | 48% | 0.476 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -69.9 | -35.3 | 178 | -150.2 | 87.4 | 0 | 0 | 0 | 111.6 | Y8 I9 E10 L16 | Y8-L12 PolarHBondContact O-N 2.89Å; I9-L12 PolarHBondContact O-N 2.7Å; E10-L12 VanDerWaalsContact C-N 3.31Å; E10-L12 PolarHBondContact O-N 3.11Å; L12-L16 WeakPolarHBondContact O-CG 3.3Å; L12-L16 PolarHBondContact O-N 3.34Å; L12-L16 VanDerWaalsContact O-N 3.13Å |
| 13 | F | 71.1 | Confident | 63.6 | Low | 136 Ų | 136 | 113.2 Ų | 113.2 | 60% | 0.596 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -66.9 | -39.3 | 174.9 | -103.1 | -83.9 | 0 | 0 | 0 | 112.3 | I9 E10 L16 L17 | I9-F13 PolarHBondContact O-N 3.48Å; E10-F13 PolarHBondContact O-N 3.4Å; F13-L16 PolarHBondContact O-N 3.18Å; F13-L17 WeakPolarHBondContact O-CG 3.27Å; F13-L17 PolarHBondContact O-N 3.38Å |
| 14 | L | 72.5 | Confident | 63.2 | Low | 110 Ų | 110 | 113.3 Ų | 113.3 | 58% | 0.576 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -68.9 | -35.6 | 176.9 | -83.6 | 163.1 | 0 | 0 | 0 | 113.1 | E10 L11 L17 S18 | E10-L14 PolarHBondContact O-N 2.81Å; L11-L14 PolarHBondContact O-N 2.88Å; L14-L17 PolarHBondContact O-N 3.35Å; L14-S18 PolarHBondContact O-N 3.35Å; L14-S18 VanDerWaalsContact O-N 3.08Å; L14-S18 PolarHBondContact O-OG 3.4Å |
| 15 | V | 73.4 | Confident | 62.8 | Low | 80 Ų | 80 | 122.2 Ų | 122.2 | 49% | 0.485 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -71.6 | -33.8 | 176.6 | 174.1 | 0 | 0 | 0 | 0 | 111.9 | L11 S18 H19 | L11-V15 WeakPolarHBondContact O-CG2 3.35Å; L11-V15 PolarHBondContact O-N 3.23Å; L11-V15 VanDerWaalsContact O-N 3.12Å; V15-S18 PolarHBondContact O-OG 2.91Å; V15-S18 VanDerWaalsContact O-OG 3.13Å; V15-H19 PolarHBondContact O-N 3.47Å; V15-H19 PolarHBondContact O-ND1 3.2Å |
| 16 | L | 68.4 | Low | 62 | Low | 98 Ų | 98 | 121 Ų | 121 | 51% | 0.513 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -73 | -32.9 | 175.1 | -73.2 | 170 | 0 | 0 | 0 | 112.4 | L12 F13 | L12-L16 WeakPolarHBondContact O-CG 3.3Å; L12-L16 PolarHBondContact O-N 3.34Å; L12-L16 VanDerWaalsContact O-N 3.13Å; F13-L16 PolarHBondContact O-N 3.18Å |
| 17 | L | 69.8 | Low | 61.2 | Low | 124 Ų | 124 | 125 Ų | 125 | 65% | 0.649 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -73.1 | -29.4 | 174.3 | -74 | 167.1 | 0 | 0 | 0 | 112.6 | F13 L14 | F13-L17 WeakPolarHBondContact O-CG 3.27Å; F13-L17 PolarHBondContact O-N 3.38Å; L14-L17 PolarHBondContact O-N 3.35Å |
| 18 | S | 67.2 | Low | 60.5 | Low | 80 Ų | 80 | 126.8 Ų | 126.8 | 56% | 0.559 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -80.1 | -21.8 | -180 | 66.7 | 0 | 0 | 0 | 0 | 114.6 | L14 V15 | L14-S18 PolarHBondContact O-N 3.35Å; L14-S18 VanDerWaalsContact O-N 3.08Å; L14-S18 PolarHBondContact O-OG 3.4Å; V15-S18 PolarHBondContact O-OG 2.91Å; V15-S18 VanDerWaalsContact O-OG 3.13Å |
| 19 | H | 60 | Low | 59.5 | Low | 152 Ų | 152 | 124.3 Ų | 124.3 | 70% | 0.704 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -91.4 | -3 | 179.2 | -84.3 | 71.7 | 0 | 0 | 0 | 114.8 | V15 S21 | V15-H19 PolarHBondContact O-N 3.47Å; V15-H19 PolarHBondContact O-ND1 3.2Å; H19-S21 PolarHBondContact O-N 3.19Å |
| 20 | S | 56.4 | Low | 58.6 | Low | 97 Ų | 97 | 122.7 Ų | 122.7 | 68% | 0.678 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -83.2 | 11.9 | -179.5 | -170.3 | 0 | 0 | 0 | 0 | 114.2 | ||
| 21 | S | 56.7 | Low | 57.6 | Low | 104 Ų | 104 | 123.9 Ų | 123.9 | 73% | 0.727 | 69% | 0.691 | S | S | * | * | trans | -133.3 | 67.6 | -179.2 | -61.5 | 0 | 0 | 0 | 0 | 111.1 | H19 | H19-S21 PolarHBondContact O-N 3.19Š| ||
| 22 | S | 53.3 | Low | 56.4 | Low | 97 Ų | 97 | 121.9 Ų | 121.9 | 68% | 0.678 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -153.1 | 105.8 | 164.1 | -61.3 | 0 | 0 | 0 | 0 | 109.6 | ||
| 23 | D | 45.1 | Very low | 55.3 | Low | 160 Ų | 160 | 129.1 Ų | 129.1 | 86% | 0.856 | 72% | 0.72 | S | S | * | * | trans | 43.2 | 101.4 | 142.6 | -51.5 | -32.5 | 0 | 0 | 0 | 119.2 | ||||
| 24 | V | 47.9 | Very low | 54.2 | Low | 144 Ų | 144 | 132.4 Ų | 132.4 | 87% | 0.873 | 73% | 0.734 | S | S | * | * | trans | -123.9 | 84.1 | 154.3 | -175.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 25 | Y | 48.2 | Very low | 53.2 | Low | 243 Ų | 243 | 132.6 Ų | 132.6 | 95% | 0.953 | 74% | 0.744 | S | S | * | * | trans | -101.1 | 121.8 | 153.9 | -111.6 | -86.8 | 0 | 0 | 0 | 106.5 | ||||
| 26 | G | 44.5 | Very low | 52 | Low | 59 Ų | 59 | 134.1 Ų | 134.1 | 61% | 0.608 | 76% | 0.758 | S | S | * | * | trans | 165.8 | 102.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 27 | F | 44.4 | Very low | 51.4 | Low | 187 Ų | 187 | 134.7 Ų | 134.7 | 82% | 0.82 | 77% | 0.771 | S | S | * | * | 57.1 | 108 | 125.5 | -131.6 | -92.5 | 0 | 0 | 0 | 118.2 | D29 | F27-D29 HydrophobicContact CE1-CB 4.33Š| |||
| 28 | T | 48.4 | Very low | 50.5 | Low | 143 Ų | 143 | 137.4 Ų | 137.4 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | trans | -135 | 101.1 | 152.9 | 52.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 29 | D | 44.8 | Very low | 49.7 | Very low | 138 Ų | 138 | 138.5 Ų | 138.5 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | trans | -102.9 | 153 | 151.9 | -98.4 | -32.7 | 0 | 0 | 0 | 108.2 | F27 | F27-D29 HydrophobicContact CE1-CB 4.33Š| ||
| 30 | A | 46.5 | Very low | 49.5 | Very low | 84 Ų | 84 | 137.2 Ų | 137.2 | 69% | 0.694 | 80% | 0.796 | S | S | * | * | trans | 78.8 | 101.8 | 159.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 31 | D | 49.6 | Very low | 49.7 | Very low | 166 Ų | 166 | 141.5 Ų | 141.5 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | 56.4 | 121.7 | 119.1 | -60.5 | -30 | 0 | 0 | 0 | 121.9 | |||||
| 32 | G | 43.7 | Very low | 49.8 | Very low | 67 Ų | 67 | 143.7 Ų | 143.7 | 69% | 0.691 | 81% | 0.814 | S | S | * | * | 102.7 | 115.6 | 129.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 33 | Y | 50.2 | Low | 50.1 | Low | 242 Ų | 242 | 147 Ų | 147 | 95% | 0.949 | 82% | 0.819 | S | S | * | * | -167.9 | 123.3 | 123.9 | -116.9 | -85.5 | 0 | 0 | 0 | 110.8 | |||||
| 34 | K | 47.1 | Very low | 50.7 | Low | 206 Ų | 206 | 147.4 Ų | 147.4 | 90% | 0.896 | 82% | 0.816 | S | S | * | * | trans | -93.6 | 140.5 | 167.2 | -126.1 | 179.7 | -178.1 | 179.5 | 0 | 107.6 | ||||
| 35 | S | 52.2 | Low | 50.9 | Low | 114 Ų | 114 | 145.5 Ų | 145.5 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | trans | -138.1 | 108.8 | 166 | 167.9 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 36 | S | 47.5 | Very low | 51.2 | Low | 111 Ų | 111 | 142.1 Ų | 142.1 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | 93.2 | 113.5 | 76.2 | -174.1 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 37 | S | 55.5 | Low | 51.5 | Low | 111 Ų | 111 | 144.4 Ų | 144.4 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | 174.5 | 139.8 | 151.6 | 35.8 | 0 | 0 | 0 | 0 | 107 | ||||
| 38 | Q | 51.4 | Low | 51.9 | Low | 181 Ų | 181 | 141.4 Ų | 141.4 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | cis | -169.9 | 140.4 | -13.6 | -169.7 | 173.9 | 2.5 | 0 | 0 | 106.4 | ||||
| 39 | S | 50 | Low | 52 | Low | 103 Ų | 103 | 141.8 Ų | 141.8 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | trans | 49.4 | 121.2 | 156 | 71.2 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 40 | S | 56.8 | Low | 52.6 | Low | 124 Ų | 124 | 145.5 Ų | 145.5 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | 178.5 | 136.2 | 98.2 | 43.8 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 41 | E | 59.3 | Low | 53 | Low | 188 Ų | 188 | 146.1 Ų | 146.1 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | trans | -81.9 | 143.9 | -174.8 | -64.8 | 164.5 | 143.2 | 0 | 0 | 112 | ||||
| 42 | T | 58.6 | Low | 52.9 | Low | 149 Ų | 149 | 145.3 Ų | 145.3 | 91% | 0.914 | 79% | 0.793 | S | S | * | * | trans | -154.6 | 136.9 | 142.4 | -57.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 43 | E | 60.1 | Low | 53.4 | Low | 168 Ų | 168 | 149.3 Ų | 149.3 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -92.4 | 168.7 | -163.4 | -161.7 | 175.4 | -179 | 0 | 0 | 112.6 | ||||
| 44 | E | 58.8 | Low | 53.3 | Low | 167 Ų | 167 | 144.7 Ų | 144.7 | 78% | 0.78 | 79% | 0.789 | S | S | * | * | trans | 84.2 | 140 | 162.9 | -56.7 | -167.6 | 175.7 | 0 | 0 | 118.6 | ||||
| 45 | T | 51.6 | Low | 53.5 | Low | 105 Ų | 105 | 142 Ų | 142 | 64% | 0.644 | 78% | 0.783 | S | S | * | * | cis | -172.8 | 138.3 | -9.8 | -79.5 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 46 | E | 54.5 | Low | 53.1 | Low | 172 Ų | 172 | 144.7 Ų | 144.7 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | 68.1 | 127.3 | 146.2 | -92.6 | -168 | 138.9 | 0 | 0 | 127 | ||||
| 47 | V | 50.1 | Low | 53.5 | Low | 107 Ų | 107 | 144.6 Ų | 144.6 | 65% | 0.648 | 78% | 0.777 | S | S | * | * | trans | 71.5 | 136.8 | 137.2 | -149.8 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 48 | T | 53.5 | Low | 52.9 | Low | 124 Ų | 124 | 145 Ų | 145 | 76% | 0.761 | 78% | 0.775 | S | S | * | * | trans | 99.1 | 98.4 | 157.9 | 65.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 49 | D | 51 | Low | 52.8 | Low | 151 Ų | 151 | 143.2 Ų | 143.2 | 81% | 0.807 | 77% | 0.77 | S | S | * | * | 56.1 | 94.8 | 81.8 | -165.4 | 21.8 | 0 | 0 | 0 | 112.3 | |||||
| 50 | Y | 55.9 | Low | 52.3 | Low | 216 Ų | 216 | 145 Ų | 145 | 85% | 0.847 | 77% | 0.771 | S | S | * | * | trans | -169.4 | 118.6 | 147.8 | -128.4 | -97.4 | 0 | 0 | 0 | 112.1 | ||||
| 51 | S | 56.3 | Low | 51.8 | Low | 97 Ų | 97 | 143.7 Ų | 143.7 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | trans | 35.1 | 130.2 | 144.7 | -53.7 | 0 | 0 | 0 | 0 | 123 | ||||
| 52 | D | 46.1 | Very low | 50.8 | Low | 149 Ų | 149 | 138.6 Ų | 138.6 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | trans | -45.6 | 127.4 | 161 | -66.3 | -54.5 | 0 | 0 | 0 | 114.3 | ||||
| 53 | D | 54.3 | Low | 50.2 | Low | 151 Ų | 151 | 141.7 Ų | 141.7 | 81% | 0.807 | 74% | 0.739 | S | S | * | * | trans | -157.7 | 98.1 | 143.8 | -96.4 | -31 | 0 | 0 | 0 | 107.6 | I55 | D53-I55 PolarHBondContact O-N 3.39Š| ||
| 54 | I | 48.3 | Very low | 49.5 | Very low | 145 Ų | 145 | 140 Ų | 140 | 74% | 0.744 | 74% | 0.736 | S | S | * | * | trans | -73.8 | 96.4 | 174 | -62.6 | 177.1 | 0 | 0 | 0 | 107.9 | F56 | I54-F56 PolarHBondContact O-N 3.18Š| ||
| 55 | I | 51.8 | Low | 48.6 | Very low | 149 Ų | 149 | 137.9 Ų | 137.9 | 76% | 0.764 | 73% | 0.73 | S | S | * | * | trans | -76.8 | 112.3 | 166.2 | -64.6 | 172.9 | 0 | 0 | 0 | 107.6 | D53 | D53-I55 PolarHBondContact O-N 3.39Š| ||
| 56 | F | 44.3 | Very low | 48 | Very low | 171 Ų | 171 | 142.2 Ų | 142.2 | 75% | 0.75 | 75% | 0.745 | S | S | * | * | trans | -65.3 | 132.3 | 165.9 | -79.2 | -87 | 0 | 0 | 0 | 109.5 | I54 V58 | I54-F56 PolarHBondContact O-N 3.18Å; F56-V58 PolarHBondContact O-N 3.02Å; F56-V58 VanDerWaalsContact O-N 3.07Å | ||
| 57 | P | 55.6 | Low | 47.2 | Very low | 108 Ų | 108 | 140.1 Ų | 140.1 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | trans | -67 | 112 | 171.8 | 26.7 | -31.2 | 0 | 0 | 0 | 108.9 | I59 | P57-I59 PolarHBondContact O-N 2.96Š| ||
| 58 | V | 43.8 | Very low | 46.8 | Very low | 121 Ų | 121 | 139.5 Ų | 139.5 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | trans | -65.1 | 103.1 | 159.4 | 177.5 | 0 | 0 | 0 | 0 | 106.3 | F56 N60 | F56-V58 PolarHBondContact O-N 3.02Å; F56-V58 VanDerWaalsContact O-N 3.07Å; V58-N60 VanDerWaalsContact C-N 3.25Å; V58-N60 PolarHBondContact O-N 3.35Å | ||
| 59 | I | 49 | Very low | 46.3 | Very low | 142 Ų | 142 | 141.6 Ų | 141.6 | 73% | 0.728 | 76% | 0.757 | S | S | * | * | trans | -71.8 | 91.8 | 166.4 | -57.8 | 175.7 | 0 | 0 | 0 | 106.1 | P57 V61 | P57-I59 PolarHBondContact O-N 2.96Å; I59-V61 HydrophobicContact CG2-CG2 3.92Å; I59-V61 PolarHBondContact O-N 3.48Å | ||
| 60 | N | 39.6 | Very low | 45.5 | Very low | 142 Ų | 142 | 137.7 Ų | 137.7 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | trans | -65.7 | 98 | 161.2 | -97.4 | -1.5 | 0 | 0 | 0 | 107.4 | V58 S62 | V58-N60 VanDerWaalsContact C-N 3.25Å; V58-N60 PolarHBondContact O-N 3.35Å; N60-S62 VanDerWaalsContact C-N 3.33Å; N60-S62 PolarHBondContact O-N 2.89Å; N60-S62 VanDerWaalsContact O-N 3.14Å | ||
| 61 | V | 44.5 | Very low | 44.8 | Very low | 95 Ų | 95 | 133.6 Ų | 133.6 | 58% | 0.576 | 75% | 0.75 | S | S | * | * | trans | -76.4 | 94.8 | 159.9 | -174.6 | 0 | 0 | 0 | 0 | 106.3 | I59 Y63 | I59-V61 HydrophobicContact CG2-CG2 3.92Å; I59-V61 PolarHBondContact O-N 3.48Å; V61-Y63 HydrophobicContact CB-CE2 4.48Å; V61-Y63 HydrophobicContact CG1-CD2 4.06Å; V61-Y63 HydrophobicContact CG1-CE2 3.71Å; V61-Y63 PolarHBondContact O-N 3.4Å | ||
| 62 | S | 38.9 | Very low | 43.9 | Very low | 81 Ų | 81 | 135.7 Ų | 135.7 | 57% | 0.566 | 76% | 0.759 | S | S | * | * | trans | -65.4 | 109.3 | 166.2 | -172.7 | 0 | 0 | 0 | 0 | 108.1 | N60 D64 | N60-S62 VanDerWaalsContact C-N 3.33Å; N60-S62 PolarHBondContact O-N 2.89Å; N60-S62 VanDerWaalsContact O-N 3.14Å; S62-D64 VanDerWaalsContact C-N 3.31Å; S62-D64 PolarHBondContact O-N 3.06Å; S62-D64 PolarHBondContact OG-OD2 3.17Å | ||
| 63 | Y | 46.6 | Very low | 43.9 | Very low | 214 Ų | 214 | 134.7 Ų | 134.7 | 84% | 0.839 | 76% | 0.758 | S | S | * | * | trans | -84.4 | 84.8 | 159.7 | -79 | -84 | 0 | 0 | 0 | 107.6 | V61 N65 | V61-Y63 HydrophobicContact CB-CE2 4.48Å; V61-Y63 HydrophobicContact CG1-CD2 4.06Å; V61-Y63 HydrophobicContact CG1-CE2 3.71Å; V61-Y63 PolarHBondContact O-N 3.4Å; Y63-N65 PolarHBondContact O-N 3.27Å; Y63-N65 VanDerWaalsContact O-N 3.16Å | ||
| 64 | D | 44.6 | Very low | 43.5 | Very low | 133 Ų | 133 | 133 Ų | 133 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | trans | -69.3 | 108.9 | 167.1 | -80 | -60.5 | 0 | 0 | 0 | 109.6 | S62 | S62-D64 VanDerWaalsContact C-N 3.31Å; S62-D64 PolarHBondContact O-N 3.06Å; S62-D64 PolarHBondContact OG-OD2 3.17Å | ||
| 65 | N | 40.1 | Very low | 43.2 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 66% | 0.658 | 76% | 0.764 | S | S | * | * | trans | 62 | 84.6 | 131 | -149.4 | 6.7 | 0 | 0 | 0 | 117.5 | Y63 T67 | Y63-N65 PolarHBondContact O-N 3.27Å; Y63-N65 VanDerWaalsContact O-N 3.16Å; N65-T67 PolarHBondContact OD1-OG1 3.43Å | ||
| 66 | M | 40.3 | Very low | 43 | Very low | 196 Ų | 196 | 138 Ų | 138 | 97% | 0.966 | 77% | 0.768 | S | S | * | * | trans | -116.4 | 93.2 | 143.3 | -75.9 | -168.8 | 179.5 | 0 | 0 | 109 | A68 | M66-A68 PolarHBondContact O-N 2.89Š| ||
| 67 | T | 37.8 | Very low | 43.3 | Very low | 127 Ų | 127 | 135.2 Ų | 135.2 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | trans | -73.8 | 112.8 | 165.1 | -57.8 | 0 | 0 | 0 | 0 | 108.2 | N65 | N65-T67 PolarHBondContact OD1-OG1 3.43Š| ||
| 68 | A | 41.6 | Very low | 42.4 | Very low | 94 Ų | 94 | 136.7 Ų | 136.7 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | trans | -139.9 | 116 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | M66 | M66-A68 PolarHBondContact O-N 2.89Š| ||
| 69 | N | 42.1 | Very low | 42.7 | Very low | 168 Ų | 168 | 135.5 Ų | 135.5 | 90% | 0.898 | 78% | 0.777 | S | S | * | * | trans | -13.4 | 131.4 | 172.9 | -101.3 | -13.8 | 0 | 0 | 0 | 118.2 | ||||
| 70 | G | 34.7 | Very low | 42.7 | Very low | 70 Ų | 70 | 135.1 Ų | 135.1 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | trans | -69.5 | 160.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 71 | T | 40.1 | Very low | 42.8 | Very low | 130 Ų | 130 | 134.7 Ų | 134.7 | 80% | 0.798 | 78% | 0.784 | S | S | * | * | trans | -149.7 | 112.7 | 144.7 | -56.7 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 72 | T | 38.6 | Very low | 43.5 | Very low | 140 Ų | 140 | 136 Ų | 136 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | trans | -64.1 | 129 | 170.7 | 42.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 73 | V | 45.1 | Very low | 44 | Very low | 129 Ų | 129 | 139.5 Ų | 139.5 | 78% | 0.782 | 81% | 0.805 | S | S | * | * | trans | -119.1 | 131.7 | 165.8 | -167.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 74 | P | 45.6 | Very low | 44.2 | Very low | 116 Ų | 116 | 138 Ų | 138 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | trans | -85 | 157.4 | -163.4 | 33.7 | -34.8 | 0 | 0 | 0 | 113.6 | ||||
| 75 | Y | 43.3 | Very low | 44.6 | Very low | 234 Ų | 234 | 136.5 Ų | 136.5 | 92% | 0.918 | 80% | 0.803 | S | S | * | * | trans | -37.4 | 133.1 | 165.2 | -81.8 | -102 | 0 | 0 | 0 | 113.9 | ||||
| 76 | L | 47.7 | Very low | 45.1 | Very low | 165 Ų | 165 | 137.9 Ų | 137.9 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 129.8 | 165.2 | -163.3 | 72.4 | 0 | 0 | 0 | 109.4 | ||
| 77 | P | 48.8 | Very low | 45.3 | Very low | 112 Ų | 112 | 133.1 Ų | 133.1 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 143.3 | -179.1 | 33.5 | -30.5 | 0 | 0 | 0 | 112.3 | ||
| 78 | T | 38.3 | Very low | 45.8 | Very low | 139 Ų | 139 | 132.1 Ų | 132.1 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 127.9 | 166.3 | -52.6 | 0 | 0 | 0 | 0 | 110.9 | ||
| 79 | A | 50.2 | Low | 45.9 | Very low | 95 Ų | 95 | 134.8 Ų | 134.8 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -121.3 | 115.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 80 | T | 48.5 | Very low | 46.2 | Very low | 134 Ų | 134 | 138.3 Ų | 138.3 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -73.2 | 138.5 | 170.3 | 18.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 81 | T | 41.3 | Very low | 46.7 | Very low | 133 Ų | 133 | 142.6 Ų | 142.6 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | trans | -72.8 | 141.4 | 174.3 | 43.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 82 | T | 58.8 | Low | 47.4 | Very low | 123 Ų | 123 | 142.6 Ų | 142.6 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | -151.3 | 112.7 | 155.5 | -49.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 83 | D | 50.9 | Low | 47.8 | Very low | 155 Ų | 155 | 141.8 Ų | 141.8 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | trans | 50.7 | 123.8 | 145.1 | -53.9 | -30.8 | 0 | 0 | 0 | 124.2 | ||||
| 84 | E | 49.1 | Very low | 47.7 | Very low | 183 Ų | 183 | 140.7 Ų | 140.7 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | trans | -48.9 | -176.9 | 154.7 | -116.3 | -168.3 | 124.8 | 0 | 0 | 115 | ||||
| 85 | P | 54 | Low | 47.8 | Very low | 101 Ų | 101 | 142.1 Ų | 142.1 | 66% | 0.656 | 79% | 0.793 | S | S | * | * | cis | -139.5 | 177.1 | -14.1 | 28.8 | -6.5 | 0 | 0 | 0 | 115.8 | ||||
| 86 | N | 50.4 | Low | 47.8 | Very low | 152 Ų | 152 | 135.9 Ų | 135.9 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | trans | 114.1 | 132.5 | 134.1 | -154.5 | 20.2 | 0 | 0 | 0 | 119.8 | ||||
| 87 | S | 43.6 | Very low | 47.9 | Very low | 95 Ų | 95 | 136 Ų | 136 | 66% | 0.664 | 78% | 0.78 | S | S | * | * | trans | 77.9 | 142 | 150.7 | 138.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 88 | T | 48.3 | Very low | 48 | Very low | 107 Ų | 107 | 135.8 Ų | 135.8 | 66% | 0.656 | 78% | 0.778 | S | S | * | * | cis | -173.4 | 133.2 | -3.5 | -69.1 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 89 | I | 45.2 | Very low | 48.6 | Very low | 149 Ų | 149 | 136.7 Ų | 136.7 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | trans | 31.7 | 122.8 | 146.4 | -51.2 | 165.6 | 0 | 0 | 0 | 119.9 | ||||
| 90 | R | 46.6 | Very low | 48.4 | Very low | 243 Ų | 243 | 137.7 Ų | 137.7 | 92% | 0.917 | 77% | 0.774 | S | S | * | * | -161.1 | 137.7 | 126.5 | -124.6 | 178.4 | 173.2 | -172.7 | -2.4 | 114.7 | |||||
| 91 | E | 46.1 | Very low | 48.8 | Very low | 159 Ų | 159 | 138.3 Ų | 138.3 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | trans | -62.9 | 154.9 | -178.2 | -59.5 | 161.8 | 135 | 0 | 0 | 114.5 | ||||
| 92 | S | 55.2 | Low | 49 | Very low | 131 Ų | 131 | 138.1 Ų | 138.1 | 92% | 0.916 | 77% | 0.772 | S | S | * | * | trans | -161.6 | 135.6 | 132.2 | -81.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 93 | T | 46.4 | Very low | 48.8 | Very low | 122 Ų | 122 | 141.3 Ų | 141.3 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | -98.6 | 136 | -164.2 | -51.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 94 | T | 43.6 | Very low | 48.9 | Very low | 106 Ų | 106 | 137.9 Ų | 137.9 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | trans | 36.7 | 132.6 | 140.2 | -40 | 0 | 0 | 0 | 0 | 121.7 | V96 | T94-V96 HydrophobicContact CG2-CG2 3.98Š| ||
| 95 | T | 48 | Very low | 49.3 | Very low | 146 Ų | 146 | 137.9 Ų | 137.9 | 90% | 0.896 | 77% | 0.766 | S | S | * | * | -147.4 | 141.1 | 129.6 | -51.6 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 96 | V | 43.6 | Very low | 48.9 | Very low | 103 Ų | 103 | 139 Ų | 139 | 62% | 0.624 | 77% | 0.766 | S | S | * | * | trans | -90.4 | 150.4 | -170.1 | 171.6 | 0 | 0 | 0 | 0 | 111.7 | T94 | T94-V96 HydrophobicContact CG2-CG2 3.98Š| ||
| 97 | L | 48.8 | Very low | 49 | Very low | 169 Ų | 169 | 137.6 Ų | 137.6 | 89% | 0.885 | 77% | 0.769 | S | S | * | * | -164 | 141.4 | 127.2 | -131.7 | 72.4 | 0 | 0 | 0 | 112.7 | |||||
| 98 | P | 51.2 | Low | 48.9 | Very low | 107 Ų | 107 | 138.2 Ų | 138.2 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | trans | -107.4 | 168.1 | -171.5 | 38.1 | -24.8 | 0 | 0 | 0 | 112.9 | ||||
| 99 | N | 51.4 | Low | 49 | Very low | 158 Ų | 158 | 140.5 Ų | 140.5 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | trans | -153.2 | 128 | 143.1 | -143.5 | 12.5 | 0 | 0 | 0 | 113.4 | ||||
| 100 | T | 45.7 | Very low | 49.2 | Very low | 116 Ų | 116 | 137.8 Ų | 137.8 | 71% | 0.712 | 77% | 0.774 | S | S | * | * | trans | -62.9 | 150.6 | 171 | 17.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 101 | T | 57.3 | Low | 48.9 | Very low | 147 Ų | 147 | 132.3 Ų | 132.3 | 90% | 0.902 | 77% | 0.768 | S | S | * | * | -161.2 | 139.8 | 120.4 | -61.3 | 0 | 0 | 0 | 0 | 110 | |||||
| 102 | D | 44.8 | Very low | 49.3 | Very low | 129 Ų | 129 | 133.9 Ų | 133.9 | 69% | 0.69 | 78% | 0.776 | S | S | * | * | trans | -86.2 | 146.2 | -167.9 | -172.1 | 0.8 | 0 | 0 | 0 | 112.6 | ||||
| 103 | H | 54.9 | Low | 48.6 | Very low | 189 Ų | 189 | 133.2 Ų | 133.2 | 88% | 0.875 | 77% | 0.766 | S | S | * | * | trans | -165 | 102.5 | 140 | -106.6 | -27.5 | 0 | 0 | 0 | 113.5 | ||||
| 104 | S | 51.7 | Low | 48.7 | Very low | 83 Ų | 83 | 133.5 Ų | 133.5 | 58% | 0.58 | 77% | 0.768 | S | S | * | * | trans | -15.7 | 128.4 | 144.9 | 160.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 105 | H | 58.5 | Low | 48.5 | Very low | 184 Ų | 184 | 133 Ų | 133 | 85% | 0.852 | 77% | 0.768 | S | S | * | * | -157.1 | 133.7 | 115 | -118.2 | -75.6 | 0 | 0 | 0 | 113.8 | |||||
| 106 | D | 45.9 | Very low | 48.5 | Very low | 123 Ų | 123 | 132.3 Ų | 132.3 | 66% | 0.658 | 76% | 0.764 | S | S | * | * | trans | -63.4 | 133.7 | 178.3 | -179.3 | 17.2 | 0 | 0 | 0 | 114.4 | ||||
| 107 | S | 51.4 | Low | 48.3 | Very low | 124 Ų | 124 | 132.5 Ų | 132.5 | 87% | 0.867 | 77% | 0.766 | S | S | * | * | trans | -161.3 | 130.3 | 135.2 | -136.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 108 | T | 42.7 | Very low | 48.5 | Very low | 107 Ų | 107 | 133.8 Ų | 133.8 | 66% | 0.656 | 77% | 0.768 | S | S | * | * | trans | -90.5 | 150.2 | -173.7 | -56.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 109 | I | 50.5 | Low | 47.8 | Very low | 156 Ų | 156 | 134.4 Ų | 134.4 | 80% | 0.8 | 77% | 0.769 | S | S | * | * | 155.3 | 123.2 | 123.5 | -75.4 | 173.4 | 0 | 0 | 0 | 113.1 | |||||
| 110 | A | 49.4 | Very low | 47.9 | Very low | 91 Ų | 91 | 131.5 Ų | 131.5 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | trans | 65.3 | 100.7 | 148.8 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 111 | T | 38.5 | Very low | 47.7 | Very low | 129 Ų | 129 | 131.8 Ų | 131.8 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | -90.7 | 125.3 | 150.6 | -53.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 112 | E | 55 | Low | 47.3 | Very low | 192 Ų | 192 | 131.6 Ų | 131.6 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | trans | -108.8 | 113.6 | 156.8 | -92.2 | -170.8 | 162.3 | 0 | 0 | 109.3 | ||||
| 113 | T | 41.5 | Very low | 47.3 | Very low | 116 Ų | 116 | 137 Ų | 137 | 71% | 0.712 | 78% | 0.779 | S | S | * | * | trans | -94.5 | 128.2 | 165 | -60.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 114 | T | 48.4 | Very low | 47 | Very low | 129 Ų | 129 | 131.2 Ų | 131.2 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | trans | -135.1 | 112.8 | 155.2 | -60.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 115 | S | 38.2 | Very low | 46.8 | Very low | 94 Ų | 94 | 136.2 Ų | 136.2 | 66% | 0.657 | 79% | 0.786 | S | S | * | * | trans | -92 | 133.8 | 165.4 | 166.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 116 | T | 49.7 | Very low | 46 | Very low | 132 Ų | 132 | 133.6 Ų | 133.6 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | trans | -152.3 | 115.7 | 146.8 | -28.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 117 | T | 38.6 | Very low | 45.8 | Very low | 108 Ų | 108 | 133.6 Ų | 133.6 | 66% | 0.663 | 79% | 0.788 | S | S | * | * | trans | -72.6 | 134.4 | 166.1 | -55.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 118 | E | 52.8 | Low | 45.3 | Very low | 196 Ų | 196 | 132.3 Ų | 132.3 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | trans | -140.1 | 118.7 | 150.5 | -100.5 | -169.6 | 163.9 | 0 | 0 | 111 | ||||
| 119 | T | 37.5 | Very low | 45.4 | Very low | 119 Ų | 119 | 130.9 Ų | 130.9 | 73% | 0.73 | 79% | 0.792 | S | S | * | * | trans | -93.5 | 125.3 | 170.9 | -63.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 120 | A | 53.1 | Low | 45 | Very low | 98 Ų | 98 | 129.8 Ų | 129.8 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | trans | -124.4 | 101.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 121 | T | 40.7 | Very low | 44.7 | Very low | 122 Ų | 122 | 131.5 Ų | 131.5 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | -65.4 | 132 | 164.3 | -50.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 122 | T | 50.3 | Low | 44.7 | Very low | 142 Ų | 142 | 131.2 Ų | 131.2 | 87% | 0.871 | 79% | 0.792 | S | S | * | * | trans | -139.8 | 133.7 | 156.6 | -59.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 123 | R | 43.8 | Very low | 44.3 | Very low | 244 Ų | 244 | 128.2 Ų | 128.2 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | trans | -113.6 | 137.4 | -167.4 | -170.4 | -173.2 | -164.7 | -176.1 | 5 | 107.3 | ||||
| 124 | G | 48.1 | Very low | 44.4 | Very low | 67 Ų | 67 | 131.6 Ų | 131.6 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | trans | 160 | 94.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 125 | M | 48.6 | Very low | 44.4 | Very low | 187 Ų | 187 | 134 Ų | 134 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | 71.9 | 139 | 89 | -99.4 | -170.9 | 178.1 | 0 | 0 | 115.2 | |||||
| 126 | T | 40.8 | Very low | 44.5 | Very low | 129 Ų | 129 | 134.9 Ų | 134.9 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | 96 | 134.5 | 154.5 | -30.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 127 | T | 41.7 | Very low | 44.2 | Very low | 124 Ų | 124 | 135 Ų | 135 | 76% | 0.761 | 80% | 0.796 | S | S | * | * | cis | -168.9 | 155.6 | -19.2 | -86.3 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 128 | A | 40.5 | Very low | 44.8 | Very low | 96 Ų | 96 | 134 Ų | 134 | 79% | 0.793 | 80% | 0.799 | S | S | * | * | trans | -43.8 | 146.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 129 | G | 44.8 | Very low | 44.3 | Very low | 78 Ų | 78 | 128.2 Ų | 128.2 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -159.7 | 83.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 130 | V | 42.3 | Very low | 45 | Very low | 132 Ų | 132 | 129.4 Ų | 129.4 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | trans | -73.9 | 123 | 167.8 | 167.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 131 | T | 43 | Very low | 44.7 | Very low | 127 Ų | 127 | 130.8 Ų | 130.8 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | trans | -150.1 | 106.7 | 152.7 | -38.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 132 | T | 39.8 | Very low | 44.9 | Very low | 124 Ų | 124 | 131.2 Ų | 131.2 | 76% | 0.761 | 80% | 0.799 | S | S | * | * | trans | -63.6 | 131.1 | 161.5 | -54.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 133 | T | 46.5 | Very low | 44.9 | Very low | 128 Ų | 128 | 130.1 Ų | 130.1 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -130.1 | 133 | 162.2 | -58.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 134 | K | 42.8 | Very low | 45.1 | Very low | 188 Ų | 188 | 126.5 Ų | 126.5 | 82% | 0.817 | 79% | 0.786 | S | S | * | * | trans | -123.9 | 119.7 | -171.6 | -162 | -170.3 | -167.4 | -173 | 0 | 106.2 | ||||
| 135 | E | 48.9 | Very low | 45.3 | Very low | 180 Ų | 180 | 129.3 Ų | 129.3 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | trans | -156.8 | 110.9 | 170.7 | -123.7 | 179.7 | 166.5 | 0 | 0 | 104.2 | ||||
| 136 | T | 40.1 | Very low | 45.1 | Very low | 112 Ų | 112 | 126.4 Ų | 126.4 | 69% | 0.687 | 78% | 0.782 | S | S | * | * | 68.4 | 125 | 50.1 | -41.8 | 0 | 0 | 0 | 0 | 114 | |||||
| 137 | T | 43.8 | Very low | 45.6 | Very low | 134 Ų | 134 | 126.3 Ų | 126.3 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | 90.4 | 131.2 | 161.8 | -27.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 138 | A | 50.5 | Low | 45.9 | Very low | 87 Ų | 87 | 125 Ų | 125 | 72% | 0.719 | 78% | 0.784 | S | S | * | * | cis | -153.9 | 147.1 | -1.1 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 139 | G | 42.8 | Very low | 46.5 | Very low | 74 Ų | 74 | 124.1 Ų | 124.1 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | 78.2 | 77.7 | 67.3 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 140 | V | 52 | Low | 46.9 | Very low | 145 Ų | 145 | 126.9 Ų | 126.9 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | trans | -139.1 | 127.7 | 160.6 | 177.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 141 | T | 48 | Very low | 47.1 | Very low | 126 Ų | 126 | 126.1 Ų | 126.1 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | trans | -80.5 | 140 | -173.2 | -52.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 142 | T | 43.9 | Very low | 47.6 | Very low | 131 Ų | 131 | 125.6 Ų | 125.6 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -77.7 | 135.5 | 166.4 | -49.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 143 | T | 49.5 | Very low | 48 | Very low | 119 Ų | 119 | 125.5 Ų | 125.5 | 73% | 0.73 | 78% | 0.777 | S | S | * | * | trans | -138.2 | 116.8 | 161.1 | -51.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 144 | E | 49.2 | Very low | 48.6 | Very low | 169 Ų | 169 | 127.8 Ų | 127.8 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | -67.1 | 136.1 | 165.6 | -79.1 | 176.3 | 128.4 | 0 | 0 | 110 | ||||
| 145 | V | 53 | Low | 49.1 | Very low | 125 Ų | 125 | 124.4 Ų | 124.4 | 76% | 0.758 | 77% | 0.773 | S | S | * | * | trans | -133.4 | 109 | 152.5 | -179.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 146 | T | 43.6 | Very low | 49.8 | Very low | 126 Ų | 126 | 122.4 Ų | 122.4 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | trans | -76.5 | 127.8 | 161.5 | -46.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 147 | T | 50.3 | Low | 50.4 | Low | 127 Ų | 127 | 123.2 Ų | 123.2 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | trans | -152.5 | 127.4 | 151.4 | -49.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 148 | A | 49.1 | Very low | 51.3 | Low | 98 Ų | 98 | 125.6 Ų | 125.6 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | trans | -70.5 | 145.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 149 | G | 51.7 | Low | 51.9 | Low | 77 Ų | 77 | 130.5 Ų | 130.5 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | trans | -176.7 | 104.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 150 | V | 53.9 | Low | 52.9 | Low | 135 Ų | 135 | 135.4 Ų | 135.4 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -65.1 | 161.1 | -178.9 | -173 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 151 | T | 46.1 | Very low | 53.4 | Low | 116 Ų | 116 | 137 Ų | 137 | 71% | 0.712 | 78% | 0.782 | S | S | * | * | trans | 109.3 | 100.4 | 137.8 | -14.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 152 | T | 53.9 | Low | 54 | Low | 117 Ų | 117 | 137.7 Ų | 137.7 | 72% | 0.718 | 79% | 0.786 | S | S | * | * | 68.9 | 109.5 | 122.4 | -46.8 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 153 | T | 49.3 | Very low | 54.9 | Low | 122 Ų | 122 | 136.6 Ų | 136.6 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | 29.9 | 116.1 | 129.2 | -36.3 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 154 | E | 58.3 | Low | 55.3 | Low | 176 Ų | 176 | 135.6 Ų | 135.6 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | -145.2 | 125.8 | 139.8 | -149.2 | 173.3 | -163 | 0 | 0 | 110.4 | ||||
| 155 | V | 52.7 | Low | 55.6 | Low | 116 Ų | 116 | 132.7 Ų | 132.7 | 70% | 0.703 | 78% | 0.777 | S | S | * | * | trans | -83.6 | 119.8 | 178 | 172.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 156 | I | 63.7 | Low | 56.1 | Low | 138 Ų | 138 | 135.5 Ų | 135.5 | 71% | 0.708 | 78% | 0.784 | S | S | * | * | trans | -120.5 | 99.6 | 166.8 | -60.2 | 179.1 | 0 | 0 | 0 | 108 | K158 | I156-K158 PolarHBondContact O-N 3.47Š| ||
| 157 | T | 53.5 | Low | 56.6 | Low | 129 Ų | 129 | 134.5 Ų | 134.5 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | -72.7 | 110.6 | 165.8 | -52.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 158 | K | 61.6 | Low | 56.9 | Low | 185 Ų | 185 | 134.7 Ų | 134.7 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -109.3 | 109.8 | 169.3 | -135.2 | 179.2 | -174.9 | -178.7 | 0 | 108.7 | I156 M160 | I156-K158 PolarHBondContact O-N 3.47Å; K158-M160 PolarHBondContact O-N 2.9Å | ||
| 159 | E | 63.8 | Low | 57.1 | Low | 190 Ų | 190 | 135.4 Ų | 135.4 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | trans | -55.7 | 112.4 | 169.2 | -166.4 | 174.1 | -173 | 0 | 0 | 108.7 | ||||
| 160 | M | 63.3 | Low | 57.1 | Low | 177 Ų | 177 | 138.4 Ų | 138.4 | 87% | 0.872 | 77% | 0.772 | S | S | * | * | trans | -107.5 | 114 | 170.9 | -105.5 | -168.4 | 176.8 | 0 | 0 | 109.3 | K158 T162 | K158-M160 PolarHBondContact O-N 2.9Å; M160-T162 PolarHBondContact O-N 3.29Å | ||
| 161 | E | 63.6 | Low | 57.2 | Low | 179 Ų | 179 | 140.2 Ų | 140.2 | 84% | 0.836 | 77% | 0.773 | S | S | * | * | trans | -44 | 114.5 | 169.2 | -167.7 | 173.8 | -176.1 | 0 | 0 | 111.6 | T163 | E161-T163 PolarHBondContact O-N 3.23Š| ||
| 162 | T | 60.5 | Low | 57.5 | Low | 139 Ų | 139 | 141.5 Ų | 141.5 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | trans | -82.6 | 98 | 178.5 | -60.5 | 0 | 0 | 0 | 0 | 109 | M160 | M160-T162 PolarHBondContact O-N 3.29Š| ||
| 163 | T | 61.3 | Low | 57.4 | Low | 108 Ų | 108 | 141.7 Ų | 141.7 | 66% | 0.663 | 78% | 0.775 | S | S | * | * | trans | -80.3 | 118.8 | 167.4 | -63.3 | 0 | 0 | 0 | 0 | 109 | E161 V165 | E161-T163 PolarHBondContact O-N 3.23Å; T163-V165 PolarHBondContact O-N 3.16Å | ||
| 164 | A | 58.4 | Low | 57.7 | Low | 99 Ų | 99 | 141.2 Ų | 141.2 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -66.4 | 96.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 165 | V | 56.2 | Low | 57.1 | Low | 108 Ų | 108 | 139 Ų | 139 | 66% | 0.655 | 77% | 0.771 | S | S | * | * | trans | -94 | 116.6 | 165.3 | 177.4 | 0 | 0 | 0 | 0 | 107.3 | T163 T167 | T163-V165 PolarHBondContact O-N 3.16Å; V165-T167 VanDerWaalsContact C-N 3.33Å; V165-T167 PolarHBondContact O-N 2.72Å | ||
| 166 | M | 63.7 | Low | 57.4 | Low | 184 Ų | 184 | 139.2 Ų | 139.2 | 91% | 0.906 | 77% | 0.772 | S | S | * | * | trans | -67.7 | 93.2 | 169 | -73.4 | -160.5 | 152 | 0 | 0 | 108.9 | T168 | M166-T168 PolarHBondContact O-N 3.47Š| ||
| 167 | T | 52.7 | Low | 57.4 | Low | 105 Ų | 105 | 138 Ų | 138 | 64% | 0.644 | 77% | 0.773 | S | S | * | * | trans | -86 | 95.8 | 171.5 | -52.3 | 0 | 0 | 0 | 0 | 108.7 | V165 T169 | V165-T167 VanDerWaalsContact C-N 3.33Å; V165-T167 PolarHBondContact O-N 2.72Å; T167-T169 VanDerWaalsContact C-N 3.35Å; T167-T169 PolarHBondContact O-N 3.12Å; T167-T169 PolarHBondContact O-OG1 3.38Å | ||
| 168 | T | 57.2 | Low | 58 | Low | 131 Ų | 131 | 139.4 Ų | 139.4 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -59.6 | 99.3 | 164 | -34.5 | 0 | 0 | 0 | 0 | 107.4 | M166 D170 | M166-T168 PolarHBondContact O-N 3.47Å; T168-D170 PolarHBondContact O-N 3.35Å | ||
| 169 | T | 54.3 | Low | 58.2 | Low | 112 Ų | 112 | 133.5 Ų | 133.5 | 69% | 0.687 | 76% | 0.755 | S | S | * | * | trans | -78.5 | 100 | 179 | -59 | 0 | 0 | 0 | 0 | 107.2 | T167 M171 | T167-T169 VanDerWaalsContact C-N 3.35Å; T167-T169 PolarHBondContact O-N 3.12Å; T167-T169 PolarHBondContact O-OG1 3.38Å; T169-M171 PolarHBondContact O-N 2.95Å | ||
| 170 | D | 50.3 | Low | 59.1 | Low | 141 Ų | 141 | 127.6 Ų | 127.6 | 75% | 0.754 | 73% | 0.734 | S | S | * | * | trans | -55.4 | 111.5 | 163 | -88.6 | -32.4 | 0 | 0 | 0 | 107.4 | T168 I172 | T168-D170 PolarHBondContact O-N 3.35Å; D170-I172 VanDerWaalsContact C-N 3.27Å; D170-I172 PolarHBondContact O-N 3.28Å | ||
| 171 | M | 57.4 | Low | 60.5 | Low | 172 Ų | 172 | 121.5 Ų | 121.5 | 85% | 0.847 | 71% | 0.707 | S | S | * | * | trans | -65.8 | 92.7 | 173.4 | -67.2 | -131.7 | -161 | 0 | 0 | 107.8 | T169 T173 | T169-M171 PolarHBondContact O-N 2.95Å; M171-T173 PolarHBondContact O-N 3.38Å | ||
| 172 | I | 52.6 | Low | 62.1 | Low | 143 Ų | 143 | 115.2 Ų | 115.2 | 73% | 0.733 | 68% | 0.678 | S | S | * | * | trans | -64.9 | 93.4 | 163.8 | -60.6 | 177.4 | 0 | 0 | 0 | 105.8 | D170 T174 | D170-I172 VanDerWaalsContact C-N 3.27Å; D170-I172 PolarHBondContact O-N 3.28Å; I172-T174 PolarHBondContact O-N 2.91Å; I172-T174 PolarHBondContact O-OG1 2.95Å | ||
| 173 | T | 51.3 | Low | 63.8 | Low | 121 Ų | 121 | 113.1 Ų | 113.1 | 74% | 0.742 | 66% | 0.656 | S | S | * | * | trans | -60.6 | 92.7 | 162.4 | 31.2 | 0 | 0 | 0 | 0 | 107.1 | M171 V175 | M171-T173 PolarHBondContact O-N 3.38Å; T173-V175 PolarHBondContact O-N 3.21Å | ||
| 174 | T | 54.9 | Low | 65.6 | Low | 113 Ų | 113 | 108.6 Ų | 108.6 | 69% | 0.693 | 63% | 0.628 | S | S | * | * | trans | -69.2 | 102.1 | 171 | -45.2 | 0 | 0 | 0 | 0 | 105 | I172 V176 | I172-T174 PolarHBondContact O-N 2.91Å; I172-T174 PolarHBondContact O-OG1 2.95Å; T174-V176 VanDerWaalsContact C-N 3.33Å; T174-V176 PolarHBondContact O-N 3.42Å | ||
| 175 | V | 46.1 | Very low | 67.5 | Low | 129 Ų | 129 | 105.4 Ų | 105.4 | 78% | 0.782 | 60% | 0.599 | S | S | * | * | trans | -63.6 | 99.3 | 179.1 | -169.4 | 0 | 0 | 0 | 0 | 106.6 | T173 P177 | T173-V175 PolarHBondContact O-N 3.21Å; V175-P177 WeakPolarHBondContact O-CD 3.48Å | ||
| 176 | V | 59.3 | Low | 69.5 | Low | 120 Ų | 120 | 101 Ų | 101 | 73% | 0.727 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 121.9 | 175.4 | 179.7 | 0 | 0 | 0 | 0 | 106.3 | T174 I178 | T174-V176 VanDerWaalsContact C-N 3.33Å; T174-V176 PolarHBondContact O-N 3.42Å; V176-I178 PolarHBondContact O-N 2.88Å |
| 177 | P | 63.7 | Low | 71.2 | Confident | 113 Ų | 113 | 98 Ų | 98 | 73% | 0.734 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 128.4 | -179.4 | 20.9 | -30.5 | 0 | 0 | 0 | 109 | V175 | V175-P177 WeakPolarHBondContact O-CD 3.48Š|
| 178 | I | 65.3 | Low | 73.3 | Confident | 158 Ų | 158 | 96.5 Ų | 96.5 | 81% | 0.81 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 122.3 | -179.8 | -61.6 | 169.8 | 0 | 0 | 0 | 107.3 | V176 S180 | V176-I178 PolarHBondContact O-N 2.88Å; I178-S180 PolarHBondContact O-N 3.42Å |
| 179 | P | 67.1 | Low | 75.1 | Confident | 62 Ų | 62 | 93.5 Ų | 93.5 | 40% | 0.403 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 134.5 | 179.7 | 23.8 | -31.8 | 0 | 0 | 0 | 110 | V181 | P179-V181 VanDerWaalsContact C-N 3.32Å; P179-V181 PolarHBondContact O-N 3.42Å |
| 180 | S | 82.8 | Confident | 77.2 | Confident | 65 Ų | 65 | 95.5 Ų | 95.5 | 46% | 0.455 | 55% | 0.549 | S | S | . | . | trans | -76.8 | 83.9 | 177.3 | 55.8 | 0 | 0 | 0 | 0 | 109.7 | I178 H182 | I178-S180 PolarHBondContact O-N 3.42Å; S180-H182 PolarHBondContact O-CD2 2.89Å; S180-H182 VanDerWaalsContact O-CD2 3.3Å; S180-H182 PolarHBondContact O-N 3.26Å | ||
| 181 | V | 93 | Very high | 79.4 | Confident | 50 Ų | 50 | 90.2 Ų | 90.2 | 30% | 0.303 | 52% | 0.523 | S | S | . | . | trans | -75.9 | 115.5 | 176.9 | -176.1 | 0 | 0 | 0 | 0 | 109 | P179 Q197 D199 N348 | P179-V181 VanDerWaalsContact C-N 3.32Å; P179-V181 PolarHBondContact O-N 3.42Å; V181-Q197 HydrophobicContact CG1-CG 3.32Å; V181-D199 HydrophobicContact CG2-CB 4.46Å; V181-N348 HydrophobicContact CG2-CB 4.05Å | ||
| 182 | H | 95.6 | Very high | 81.4 | Confident | 47 Ų | 47 | 83.3 Ų | 83.3 | 22% | 0.218 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 141.2 | 178.8 | -66.6 | -72.7 | 0 | 0 | 0 | 110.7 | S180 F184 Q197 S198 L220 | S180-H182 PolarHBondContact O-CD2 2.89Å; S180-H182 VanDerWaalsContact O-CD2 3.3Å; S180-H182 PolarHBondContact O-N 3.26Å; H182-F184 HydrophobicContact CB-CD2 4.43Å; H182-F184 HydrophobicContact CB-CE2 3.52Å; H182-F184 HydrophobicContact CB-CZ 3.76Å; H182-Q197 CarbonylContact O-C 3.59Å; H182-Q197 WeakPolarHBondContact O-CA 3.38Å; H182-S198 PolarHBondContact N-O 3.39Å; H182-S198 PolarHBondContact O-N 2.93Å; H182-L220 PolarHBondContact CD2-O 2.93Å; H182-L220 PolarHBondContact NE2-O 3.2Å |
| 183 | K | 97.5 | Very high | 83.5 | Confident | 94 Ų | 94 | 76.9 Ų | 76.9 | 41% | 0.409 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 134.3 | 176.1 | -175.2 | -176.5 | 176.8 | -170.6 | 0 | 109.6 | F196 E360 | K183-F196 CarbonylContact C-O 3.19Å; K183-F196 WeakPolarHBondContact CA-O 3.32Å; K183-E360 PolarHBondContact NZ-O 2.81Å; K183-E360 IonicContact NZ-OE1 2.67Å |
| 184 | F | 98.2 | Very high | 85.8 | Confident | 14 Ų | 14 | 71.1 Ų | 71.1 | 6% | 0.061 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 143.7 | 179.5 | -54.6 | -85.8 | 0 | 0 | 0 | 109.1 | H182 F196 L220 A223 I225 L239 L241 | H182-F184 HydrophobicContact CB-CD2 4.43Å; H182-F184 HydrophobicContact CB-CE2 3.52Å; H182-F184 HydrophobicContact CB-CZ 3.76Å; F184-F196 AromaticContact CD2-CD1 3.78Å; F184-F196 HydrophobicContact CD2-CD1 3.78Å; F184-F196 HydrophobicContact CD2-CE1 4.35Å; F184-F196 HydrophobicContact CE2-CD1 4.42Å; F184-F196 PolarHBondContact N-O 3.3Å; F184-F196 PolarHBondContact O-N 3.4Å; F184-L220 HydrophobicContact CZ-CD2 4.38Å; F184-A223 HydrophobicContact CE1-CB 3.97Å; F184-A223 HydrophobicContact CZ-CB 3.84Å; F184-I225 HydrophobicContact CB-CD1 4.14Å; F184-I225 HydrophobicContact CB-CG1 4.48Å; F184-I225 HydrophobicContact CD1-CD1 4.35Å; F184-I225 HydrophobicContact CD1-CG1 3.92Å; F184-L239 HydrophobicContact CB-CD2 4.35Å; F184-L241 HydrophobicContact CD1-CD1 4.38Å; F184-L241 HydrophobicContact CD1-CD2 3.48Å; F184-L241 VanDerWaalsContact CD1-CD2 3.48Å; F184-L241 HydrophobicContact CD2-CD1 4.23Å; F184-L241 HydrophobicContact CE1-CD1 4.03Å; F184-L241 HydrophobicContact CE1-CD2 3.62Å; F184-L241 HydrophobicContact CE1-CG 4.46Å; F184-L241 HydrophobicContact CE2-CD1 3.81Å; F184-L241 HydrophobicContact CG-CD1 4.45Å; F184-L241 HydrophobicContact CG-CD2 3.97Å; F184-L241 HydrophobicContact CZ-CD1 3.71Å; F184-L241 HydrophobicContact CZ-CD2 4.19Å |
| 185 | S | 98.4 | Very high | 87.9 | Confident | 31 Ų | 31 | 65.7 Ų | 65.7 | 22% | 0.217 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 143.3 | -179.7 | 54.6 | 0 | 0 | 0 | 0 | 110.8 | F194 L195 I225 E360 | S185-F194 WeakPolarHBondContact CA-O 3.33Å; S185-L195 VanDerWaalsContact CB-CD2 3.42Å; S185-I225 VanDerWaalsContact O-CD1 3.25Å; S185-I225 WeakPolarHBondContact O-CD1 3.26Å; S185-E360 VanDerWaalsContact CB-OE1 3.23Å; S185-E360 WeakPolarHBondContact CB-OE1 3.35Å; S185-E360 PolarHBondContact OG-OE1 2.95Å |
| 186 | L | 98.6 | Very high | 90.4 | Very high | 16 Ų | 16 | 59.6 Ų | 59.6 | 8% | 0.084 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 146.4 | 173.1 | -55.7 | 174.7 | 0 | 0 | 0 | 109.5 | Y192 C193 F194 I225 T237 L239 | L186-Y192 WeakPolarHBondContact O-CA 3.38Å; L186-C193 PolarHBondContact O-N 3.3Å; L186-C193 PolarHBondContact O-SG 3.42Å; L186-F194 HydrophobicContact CB-CB 4.08Å; L186-F194 HydrophobicContact CD1-CB 4.21Å; L186-F194 HydrophobicContact CD1-CD1 3.95Å; L186-F194 HydrophobicContact CD1-CG 4.33Å; L186-F194 HydrophobicContact CG-CB 4.33Å; L186-F194 HydrophobicContact CG-CD1 4.07Å; L186-F194 PolarHBondContact N-O 3.45Å; L186-I225 HydrophobicContact CD2-CD1 4.16Å; L186-I225 HydrophobicContact CD2-CG2 3.73Å; L186-T237 HydrophobicContact CD1-CG2 4.12Å; L186-L239 HydrophobicContact CD1-CD1 4.23Å; L186-L239 HydrophobicContact CD2-CD1 4.07Å; L186-L239 HydrophobicContact CG-CD1 4.25Å |
| 187 | K | 98.1 | Very high | 92.2 | Very high | 122 Ų | 122 | 56.3 Ų | 56.3 | 53% | 0.53 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 146 | 175.6 | -70.7 | -175.5 | 177.8 | 179.3 | 0 | 111.2 | S191 Y192 C193 | K187-S191 CarbonylContact C-O 3.56Å; K187-S191 VanDerWaalsContact CA-O 3.27Å; K187-S191 WeakPolarHBondContact CA-O 3.37Å; K187-Y192 HydrophobicContact CD-CD1 4.49Å; K187-Y192 HydrophobicContact CD-CE1 4.14Å; K187-Y192 WeakPolarHBondContact CE-OH 3.28Å; K187-Y192 HydrophobicContact CG-CD1 3.72Å; K187-Y192 HydrophobicContact CG-CE1 3.79Å; K187-Y192 HydrophobicContact CG-CG 4.31Å; K187-Y192 PolarHBondContact NZ-OH 2.92Å; K187-C193 VanDerWaalsContact C-SG 3.56Å |
| 188 | S | 97 | Very high | 93.8 | Very high | 73 Ų | 73 | 51 Ų | 51 | 51% | 0.51 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 104.7 | 164.7 | -172.2 | 0 | 0 | 0 | 0 | 107.7 | N190 S191 | S188-N190 PolarHBondContact O-N 2.95Å; S188-S191 PolarHBondContact N-O 2.96Å; S188-S191 PolarHBondContact O-N 2.74Å |
| 189 | G | 96 | Very high | 95.3 | Very high | 67 Ų | 67 | 44.4 Ų | 44.4 | 69% | 0.691 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.2 | -123.1 | -167.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 190 | N | 97.2 | Very high | 96.7 | Very high | 155 Ų | 155 | 41.5 Ų | 41.5 | 83% | 0.829 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -3.1 | -178.4 | -69 | -13.6 | 0 | 0 | 0 | 113.9 | S188 | S188-N190 PolarHBondContact O-N 2.95Š|
| 191 | S | 97.7 | Very high | 97.3 | Very high | 29 Ų | 29 | 40.8 Ų | 40.8 | 20% | 0.203 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 143.3 | -177.8 | -62.2 | 0 | 0 | 0 | 0 | 111.1 | K187 S188 N356 N357 | K187-S191 CarbonylContact C-O 3.56Å; K187-S191 VanDerWaalsContact CA-O 3.27Å; K187-S191 WeakPolarHBondContact CA-O 3.37Å; S188-S191 PolarHBondContact N-O 2.96Å; S188-S191 PolarHBondContact O-N 2.74Å; S191-N356 WeakPolarHBondContact CB-OD1 3.37Å; S191-N356 PolarHBondContact OG-OD1 2.68Å; S191-N357 CarbonylContact C-O 3.52Å; S191-N357 WeakPolarHBondContact CA-O 3.46Å |
| 192 | Y | 98.4 | Very high | 97.5 | Very high | 27 Ų | 27 | 38.4 Ų | 38.4 | 11% | 0.106 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 133.5 | 163 | -67.5 | -79.3 | 0 | 0 | 0 | 109.2 | L186 K187 L195 M355 N357 E360 | L186-Y192 WeakPolarHBondContact O-CA 3.38Å; K187-Y192 HydrophobicContact CD-CD1 4.49Å; K187-Y192 HydrophobicContact CD-CE1 4.14Å; K187-Y192 WeakPolarHBondContact CE-OH 3.28Å; K187-Y192 HydrophobicContact CG-CD1 3.72Å; K187-Y192 HydrophobicContact CG-CE1 3.79Å; K187-Y192 HydrophobicContact CG-CG 4.31Å; K187-Y192 PolarHBondContact NZ-OH 2.92Å; Y192-L195 HydrophobicContact CD1-CD2 4.24Å; Y192-M355 CarbonylContact O-C 3.57Å; Y192-M355 VanDerWaalsContact O-CG 3.29Å; Y192-M355 WeakPolarHBondContact O-CG 3.32Å; Y192-N357 PolarHBondContact N-O 3.29Å; Y192-N357 PolarHBondContact O-N 3.3Å; Y192-E360 HydrophobicContact CD1-CB 4.45Å; Y192-E360 HydrophobicContact CD1-CG 4.02Å; Y192-E360 HydrophobicContact CD2-CB 4.06Å; Y192-E360 HydrophobicContact CD2-CG 4.5Å; Y192-E360 HydrophobicContact CE1-CB 3.94Å; Y192-E360 HydrophobicContact CE1-CG 3.56Å; Y192-E360 HydrophobicContact CE2-CB 3.51Å; Y192-E360 HydrophobicContact CE2-CG 4.1Å; Y192-E360 HydrophobicContact CG-CB 4.49Å; Y192-E360 HydrophobicContact CG-CG 4.46Å; Y192-E360 VanDerWaalsContact CZ-CB 3.42Å; Y192-E360 PolarHBondContact OH-OE2 2.83Å |
| 193 | C | 98.2 | Very high | 97.6 | Very high | 8 Ų | 8 | 37.4 Ų | 37.4 | 5% | 0.054 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | -19 | 178.4 | 53.6 | 0 | 0 | 0 | 0 | 112.7 | L186 K187 C232 F354 M355 | L186-C193 PolarHBondContact O-N 3.3Å; L186-C193 PolarHBondContact O-SG 3.42Å; K187-C193 VanDerWaalsContact C-SG 3.56Å; C193-C232 HydrophobicContact CB-CB 3.5Å; C193-C232 WeakPolarHBondContact CB-SG 3.39Å; C193-C232 WeakPolarHBondContact SG-CB 3.48Å; C193-C232 CovalentContact SG-SG 2.02Å; C193-C232 PolarHBondContact SG-SG 3.5Å; C193-F354 PolarHBondContact O-N 2.85Å; C193-M355 WeakPolarHBondContact CA-O 3.47Å; C193-M355 WeakPolarHBondContact O-CG 3.46Å; C193-M355 PolarHBondContact O-N 2.75Å; C193-M355 VanDerWaalsContact O-N 3.08Å |
| 194 | F | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 135.8 | -176.3 | -179.3 | -101 | 0 | 0 | 0 | 110.9 | S185 L186 F196 T237 L239 F260 V351 E352 A353 | S185-F194 WeakPolarHBondContact CA-O 3.33Å; L186-F194 HydrophobicContact CB-CB 4.08Å; L186-F194 HydrophobicContact CD1-CB 4.21Å; L186-F194 HydrophobicContact CD1-CD1 3.95Å; L186-F194 HydrophobicContact CD1-CG 4.33Å; L186-F194 HydrophobicContact CG-CB 4.33Å; L186-F194 HydrophobicContact CG-CD1 4.07Å; L186-F194 PolarHBondContact N-O 3.45Å; F194-F196 HydrophobicContact CD1-CB 4.29Å; F194-F196 HydrophobicContact CE1-CB 3.35Å; F194-F196 HydrophobicContact CE1-CG 4.29Å; F194-F196 HydrophobicContact CZ-CB 3.59Å; F194-F196 HydrophobicContact CZ-CD2 4.21Å; F194-F196 HydrophobicContact CZ-CG 4.24Å; F194-T237 HydrophobicContact CB-CG2 3.82Å; F194-T237 HydrophobicContact CD1-CG2 4.41Å; F194-T237 HydrophobicContact CD2-CG2 3.58Å; F194-T237 HydrophobicContact CE2-CG2 4.22Å; F194-T237 HydrophobicContact CG-CG2 3.69Å; F194-L239 HydrophobicContact CE1-CB 3.88Å; F194-L239 HydrophobicContact CE1-CD1 4.42Å; F194-L239 HydrophobicContact CE1-CD2 3.67Å; F194-L239 HydrophobicContact CE1-CG 4.17Å; F194-L239 HydrophobicContact CZ-CB 4.34Å; F194-L239 HydrophobicContact CZ-CD2 4.32Å; F194-F260 HydrophobicContact CE2-CD1 4.36Å; F194-F260 AromaticContact CE2-CD2 3.63Å; F194-F260 HydrophobicContact CE2-CD2 3.63Å; F194-F260 HydrophobicContact CE2-CE1 4.18Å; F194-F260 AromaticContact CE2-CE2 3.45Å; F194-F260 HydrophobicContact CE2-CE2 3.45Å; F194-F260 VanDerWaalsContact CE2-CE2 3.45Å; F194-F260 HydrophobicContact CE2-CG 4.1Å; F194-F260 AromaticContact CE2-CZ 3.75Å; F194-F260 HydrophobicContact CE2-CZ 3.75Å; F194-F260 AromaticContact CZ-CD2 3.93Å; F194-F260 HydrophobicContact CZ-CD2 3.93Å; F194-F260 AromaticContact CZ-CE2 3.34Å; F194-F260 HydrophobicContact CZ-CE2 3.34Å; F194-F260 AromaticContact CZ-CZ 3.71Å; F194-F260 HydrophobicContact CZ-CZ 3.71Å; F194-V351 HydrophobicContact CE2-CG2 3.67Å; F194-V351 HydrophobicContact CZ-CG2 3.93Å; F194-E352 CarbonylContact C-O 3.47Å; F194-E352 WeakPolarHBondContact CA-O 3.46Å; F194-A353 HydrophobicContact CD2-CB 3.67Å; F194-A353 HydrophobicContact CE2-CB 4.01Å |
| 195 | L | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 134.4 | 169.6 | -61.1 | -178.8 | 0 | 0 | 0 | 109 | S185 Y192 V351 E352 M355 E360 A361 F362 | S185-L195 VanDerWaalsContact CB-CD2 3.42Å; Y192-L195 HydrophobicContact CD1-CD2 4.24Å; L195-V351 WeakPolarHBondContact O-CA 3.47Å; L195-E352 PolarHBondContact N-O 2.96Å; L195-E352 PolarHBondContact O-N 3.06Å; L195-M355 HydrophobicContact CB-CE 4.34Å; L195-M355 HydrophobicContact CD1-CE 3.6Å; L195-M355 HydrophobicContact CD1-SD 4.11Å; L195-M355 HydrophobicContact CG-CE 3.69Å; L195-M355 HydrophobicContact CG-SD 3.81Å; L195-E360 HydrophobicContact CD2-CG 3.58Å; L195-A361 VanDerWaalsContact CD1-O 3.3Å; L195-A361 WeakPolarHBondContact CD1-O 3.04Å; L195-F362 HydrophobicContact CB-CD1 4.27Å; L195-F362 HydrophobicContact CB-CE1 3.67Å; L195-F362 HydrophobicContact CB-CZ 3.97Å; L195-F362 HydrophobicContact CD1-CD1 4.37Å; L195-F362 HydrophobicContact CD1-CE1 4.49Å |
| 196 | F | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 130 | 177.2 | 176.6 | -88.1 | 0 | 0 | 0 | 109.8 | K183 F184 F194 I200 L239 L258 F260 M346 L349 K350 V351 | K183-F196 CarbonylContact C-O 3.19Å; K183-F196 WeakPolarHBondContact CA-O 3.32Å; F184-F196 AromaticContact CD2-CD1 3.78Å; F184-F196 HydrophobicContact CD2-CD1 3.78Å; F184-F196 HydrophobicContact CD2-CE1 4.35Å; F184-F196 HydrophobicContact CE2-CD1 4.42Å; F184-F196 PolarHBondContact N-O 3.3Å; F184-F196 PolarHBondContact O-N 3.4Å; F194-F196 HydrophobicContact CD1-CB 4.29Å; F194-F196 HydrophobicContact CE1-CB 3.35Å; F194-F196 HydrophobicContact CE1-CG 4.29Å; F194-F196 HydrophobicContact CZ-CB 3.59Å; F194-F196 HydrophobicContact CZ-CD2 4.21Å; F194-F196 HydrophobicContact CZ-CG 4.24Å; F196-I200 HydrophobicContact CE1-CD1 3.74Å; F196-I200 HydrophobicContact CZ-CD1 3.93Å; F196-L239 HydrophobicContact CB-CD2 4.1Å; F196-L239 HydrophobicContact CD1-CD2 4.03Å; F196-L239 HydrophobicContact CG-CD2 4.08Å; F196-L258 HydrophobicContact CD2-CD1 4.1Å; F196-L258 HydrophobicContact CE1-CD1 4.18Å; F196-L258 HydrophobicContact CE2-CD1 3.6Å; F196-L258 HydrophobicContact CZ-CD1 3.66Å; F196-F260 HydrophobicContact CD2-CZ 4.41Å; F196-M346 HydrophobicContact CZ-SD 4.37Å; F196-L349 HydrophobicContact CD2-CD1 4.07Å; F196-L349 HydrophobicContact CE2-CD1 3.41Å; F196-L349 VanDerWaalsContact CE2-CD1 3.41Å; F196-L349 HydrophobicContact CZ-CD1 3.88Å; F196-K350 CarbonylContact C-O 3.37Å; F196-K350 WeakPolarHBondContact CA-O 3.37Å; F196-V351 HydrophobicContact CD2-CB 4.07Å; F196-V351 HydrophobicContact CD2-CG2 4.03Å |
| 197 | Q | 98.1 | Very high | 96.9 | Very high | 52 Ų | 52 | 34.8 Ų | 34.8 | 24% | 0.243 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 126.9 | -179.4 | 178.3 | 179.9 | -37.7 | 0 | 0 | 108.8 | V181 H182 L349 K350 F362 | V181-Q197 HydrophobicContact CG1-CG 3.32Å; H182-Q197 CarbonylContact O-C 3.59Å; H182-Q197 WeakPolarHBondContact O-CA 3.38Å; Q197-L349 CarbonylContact O-C 3.52Å; Q197-L349 VanDerWaalsContact O-CA 3.29Å; Q197-L349 WeakPolarHBondContact O-CA 3.44Å; Q197-K350 HydrophobicContact CB-CB 4.24Å; Q197-K350 PolarHBondContact N-O 3.05Å; Q197-K350 PolarHBondContact O-N 2.96Å; Q197-F362 HydrophobicContact CB-CE2 4.23Å; Q197-F362 HydrophobicContact CB-CZ 4Å |
| 198 | S | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.3 | 152 | 176.9 | -171.2 | 0 | 0 | 0 | 0 | 110.8 | H182 M346 K347 | H182-S198 PolarHBondContact N-O 3.39Å; H182-S198 PolarHBondContact O-N 2.93Å; S198-M346 WeakPolarHBondContact OG-CB 3.35Å; S198-K347 PolarHBondContact OG-O 2.97Å |
| 199 | D | 96.1 | Very high | 96.6 | Very high | 21 Ų | 21 | 31.5 Ų | 31.5 | 11% | 0.112 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 118.7 | 155.6 | 173.8 | 16 | 0 | 0 | 0 | 107.6 | V181 M346 K347 | V181-D199 HydrophobicContact CG2-CB 4.46Å; D199-M346 WeakPolarHBondContact O-CA 3.14Å; D199-K347 HydrophobicContact CB-CB 4.18Å; D199-K347 PolarHBondContact N-O 2.81Å; D199-K347 PolarHBondContact O-N 2.83Å |
| 200 | I | 96.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 125.9 | -171.9 | -64.5 | 175.4 | 0 | 0 | 0 | 109.1 | F196 F202 T219 L220 L256 L344 M346 | F196-I200 HydrophobicContact CE1-CD1 3.74Å; F196-I200 HydrophobicContact CZ-CD1 3.93Å; I200-F202 HydrophobicContact CG2-CD2 4.06Å; I200-F202 HydrophobicContact CG2-CE1 4.46Å; I200-F202 HydrophobicContact CG2-CE2 3.47Å; I200-F202 VanDerWaalsContact CG2-CE2 3.47Å; I200-F202 HydrophobicContact CG2-CZ 3.71Å; I200-T219 WeakPolarHBondContact O-CA 3.46Å; I200-T219 WeakPolarHBondContact O-CG2 3.39Å; I200-L220 HydrophobicContact CB-CB 3.82Å; I200-L220 HydrophobicContact CB-CD2 4.01Å; I200-L220 HydrophobicContact CD1-CD2 3.68Å; I200-L220 HydrophobicContact CG1-CD2 4.32Å; I200-L220 HydrophobicContact CG2-CB 4.09Å; I200-L220 HydrophobicContact CG2-CD2 4.37Å; I200-L220 PolarHBondContact O-N 2.82Å; I200-L256 HydrophobicContact CD1-CD2 4.02Å; I200-L344 HydrophobicContact CG2-CD1 3.6Å; I200-M346 HydrophobicContact CG1-CG 4.26Å |
| 201 | M | 95.9 | Very high | 96.3 | Very high | 51 Ų | 51 | 33.5 Ų | 33.5 | 25% | 0.251 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 141.6 | 173.3 | -179.7 | -175.7 | 67.5 | 0 | 0 | 110.3 | F218 F345 | M201-F218 WeakPolarHBondContact CA-O 3.45Å; M201-F218 WeakPolarHBondContact CG-O 3.35Å; M201-F345 HydrophobicContact CB-CB 4.28Å; M201-F345 HydrophobicContact CE-CB 3.94Å; M201-F345 HydrophobicContact CE-CD1 4.37Å; M201-F345 HydrophobicContact CE-CD2 3.47Å; M201-F345 VanDerWaalsContact CE-CD2 3.47Å; M201-F345 HydrophobicContact CE-CE2 4.03Å; M201-F345 HydrophobicContact CE-CG 3.66Å; M201-F345 PolarHBondContact N-O 2.74Å; M201-F345 PolarHBondContact O-N 2.93Å |
| 202 | F | 96.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 146.2 | 176.5 | -62.2 | -87.2 | 0 | 0 | 0 | 110.1 | I200 K217 F218 L220 F243 L256 L286 K343 L344 | I200-F202 HydrophobicContact CG2-CD2 4.06Å; I200-F202 HydrophobicContact CG2-CE1 4.46Å; I200-F202 HydrophobicContact CG2-CE2 3.47Å; I200-F202 VanDerWaalsContact CG2-CE2 3.47Å; I200-F202 HydrophobicContact CG2-CZ 3.71Å; F202-K217 VanDerWaalsContact O-CA 3.27Å; F202-K217 WeakPolarHBondContact O-CA 3.49Å; F202-F218 HydrophobicContact CB-CD1 4.11Å; F202-F218 HydrophobicContact CB-CD2 4.26Å; F202-F218 HydrophobicContact CB-CE1 3.45Å; F202-F218 VanDerWaalsContact CB-CE1 3.45Å; F202-F218 HydrophobicContact CB-CE2 3.62Å; F202-F218 HydrophobicContact CB-CG 4.47Å; F202-F218 HydrophobicContact CB-CZ 3.16Å; F202-F218 HydrophobicContact CD1-CZ 4.4Å; F202-F218 AromaticContact CD2-CD2 3.94Å; F202-F218 HydrophobicContact CD2-CD2 3.94Å; F202-F218 AromaticContact CD2-CE2 3.14Å; F202-F218 HydrophobicContact CD2-CE2 3.14Å; F202-F218 AromaticContact CD2-CZ 3.52Å; F202-F218 HydrophobicContact CD2-CZ 3.52Å; F202-F218 AromaticContact CE2-CE2 3.93Å; F202-F218 HydrophobicContact CE2-CE2 3.93Å; F202-F218 HydrophobicContact CE2-CZ 4.44Å; F202-F218 HydrophobicContact CG-CE1 4.26Å; F202-F218 AromaticContact CG-CE2 3.64Å; F202-F218 HydrophobicContact CG-CE2 3.64Å; F202-F218 AromaticContact CG-CZ 3.46Å; F202-F218 HydrophobicContact CG-CZ 3.46Å; F202-F218 VanDerWaalsContact CG-CZ 3.46Å; F202-F218 PolarHBondContact N-O 3.45Å; F202-F218 PolarHBondContact O-N 3.34Å; F202-L220 HydrophobicContact CE2-CB 4.37Å; F202-L220 HydrophobicContact CE2-CD1 4.38Å; F202-F243 AromaticContact CE2-CZ 3.96Å; F202-F243 HydrophobicContact CE2-CZ 3.96Å; F202-F243 HydrophobicContact CZ-CZ 4.36Å; F202-L256 HydrophobicContact CE1-CD1 4.08Å; F202-L256 HydrophobicContact CZ-CB 4.43Å; F202-L256 HydrophobicContact CZ-CD1 3.95Å; F202-L256 HydrophobicContact CZ-CD2 3.99Å; F202-L256 HydrophobicContact CZ-CG 4.33Å; F202-L286 HydrophobicContact CD1-CD1 4.47Å; F202-L286 HydrophobicContact CD1-CD2 3.68Å; F202-L286 HydrophobicContact CE1-CB 4.47Å; F202-L286 HydrophobicContact CE1-CD1 3.89Å; F202-L286 HydrophobicContact CE1-CD2 3.82Å; F202-L286 HydrophobicContact CE1-CG 4.27Å; F202-L286 HydrophobicContact CG-CD2 4.38Å; F202-L286 HydrophobicContact CZ-CD1 3.98Å; F202-K343 CarbonylContact C-O 3.48Å; F202-K343 WeakPolarHBondContact CA-O 3.45Å; F202-L344 HydrophobicContact CD1-CD1 3.96Å; F202-L344 HydrophobicContact CE1-CD1 3.66Å; F202-L344 HydrophobicContact CZ-CD1 4.12Å |
| 203 | Q | 96.9 | Very high | 95.8 | Very high | 25 Ų | 25 | 40.7 Ų | 40.7 | 12% | 0.117 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 103 | 166.9 | -175 | 175.9 | 7.1 | 0 | 0 | 108.8 | F205 S215 Y216 K217 C342 K343 F345 | Q203-F205 HydrophobicContact CB-CE2 4.11Å; Q203-F205 HydrophobicContact CG-CD2 4.39Å; Q203-F205 HydrophobicContact CG-CE1 4.46Å; Q203-F205 HydrophobicContact CG-CE2 3.6Å; Q203-F205 HydrophobicContact CG-CZ 3.66Å; Q203-F205 WeakPolarHBondContact O-CD2 3.45Å; Q203-F205 WeakPolarHBondContact O-CE2 3.29Å; Q203-S215 PolarHBondContact NE2-OG 3Å; Q203-Y216 CarbonylContact C-O 3.5Å; Q203-Y216 WeakPolarHBondContact CA-O 3Å; Q203-K217 HydrophobicContact CB-CG 3.88Å; Q203-K217 HydrophobicContact CG-CD 4.45Å; Q203-K217 HydrophobicContact CG-CG 3.66Å; Q203-K217 VanDerWaalsContact NE2-CE 3.34Å; Q203-C342 CarbonylContact O-C 3.56Å; Q203-C342 WeakPolarHBondContact O-CA 3.16Å; Q203-K343 HydrophobicContact CB-CB 4.24Å; Q203-K343 PolarHBondContact N-O 2.87Å; Q203-K343 PolarHBondContact O-N 2.9Å; Q203-F345 HydrophobicContact CB-CE2 3.97Å |
| 204 | V | 96.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 127.3 | 178.9 | 171.3 | 0 | 0 | 0 | 0 | 109.3 | S215 Y216 F218 Y288 F295 C342 | V204-S215 CarbonylContact O-C 3.57Å; V204-S215 WeakPolarHBondContact O-CA 3.44Å; V204-Y216 PolarHBondContact N-O 2.81Å; V204-Y216 PolarHBondContact O-N 3.13Å; V204-F218 HydrophobicContact CG2-CE1 3.77Å; V204-F218 HydrophobicContact CG2-CZ 4.4Å; V204-Y288 HydrophobicContact CG1-CD2 4.48Å; V204-Y288 HydrophobicContact CG1-CE1 4.44Å; V204-Y288 HydrophobicContact CG1-CE2 3.59Å; V204-Y288 WeakPolarHBondContact CG1-OH 3.35Å; V204-Y288 HydrophobicContact CG2-CE1 4.41Å; V204-Y288 HydrophobicContact CG2-CE2 4.35Å; V204-F295 HydrophobicContact CB-CE1 4Å; V204-F295 HydrophobicContact CB-CZ 4.35Å; V204-F295 HydrophobicContact CG1-CE1 3.65Å; V204-F295 HydrophobicContact CG1-CZ 4.04Å; V204-C342 HydrophobicContact CG2-CB 4.31Å |
| 205 | F | 95.9 | Very high | 95.5 | Very high | 46 Ų | 46 | 45.9 Ų | 45.9 | 20% | 0.202 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 131.8 | 174.5 | -62.1 | -97.8 | 0 | 0 | 0 | 109.4 | Q203 V213 K214 N340 N341 K343 | Q203-F205 HydrophobicContact CB-CE2 4.11Å; Q203-F205 HydrophobicContact CG-CD2 4.39Å; Q203-F205 HydrophobicContact CG-CE1 4.46Å; Q203-F205 HydrophobicContact CG-CE2 3.6Å; Q203-F205 HydrophobicContact CG-CZ 3.66Å; Q203-F205 WeakPolarHBondContact O-CD2 3.45Å; Q203-F205 WeakPolarHBondContact O-CE2 3.29Å; F205-V213 HydrophobicContact CB-CG1 4.14Å; F205-V213 HydrophobicContact CD1-CG1 4.12Å; F205-K214 WeakPolarHBondContact CA-O 3.32Å; F205-N340 WeakPolarHBondContact O-CB 3.44Å; F205-N341 WeakPolarHBondContact CB-O 3.05Å; F205-N341 WeakPolarHBondContact CD2-O 3.27Å; F205-N341 PolarHBondContact N-O 2.93Å; F205-K343 HydrophobicContact CE2-CB 4.27Å; F205-K343 HydrophobicContact CE2-CD 3.5Å; F205-K343 HydrophobicContact CE2-CG 3.64Å; F205-K343 HydrophobicContact CZ-CD 3.68Å; F205-K343 HydrophobicContact CZ-CG 4.33Å |
| 206 | Y | 94.3 | Very high | 95.3 | Very high | 10 Ų | 10 | 48.5 Ų | 48.5 | 4% | 0.039 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 150 | -178.4 | 68.2 | -81.3 | 0 | 0 | 0 | 111.1 | K214 F295 P296 | Y206-K214 HydrophobicContact CD1-CB 4.16Å; Y206-K214 HydrophobicContact CD2-CB 4.43Å; Y206-K214 HydrophobicContact CE1-CB 3.57Å; Y206-K214 HydrophobicContact CE2-CB 3.88Å; Y206-K214 HydrophobicContact CE2-CD 4.01Å; Y206-K214 HydrophobicContact CE2-CG 4.46Å; Y206-K214 VanDerWaalsContact CZ-CB 3.42Å; Y206-K214 PolarHBondContact N-O 2.87Å; Y206-K214 PolarHBondContact O-N 3.29Å; Y206-K214 WeakPolarHBondContact OH-CD 3.48Å; Y206-F295 AromaticContact CD1-CD1 3.54Å; Y206-F295 HydrophobicContact CD1-CD1 3.54Å; Y206-F295 HydrophobicContact CD1-CE1 4.23Å; Y206-F295 HydrophobicContact CD1-CG 4.48Å; Y206-F295 HydrophobicContact CD2-CB 4.3Å; Y206-F295 HydrophobicContact CE1-CB 4.38Å; Y206-F295 AromaticContact CE1-CD1 3.61Å; Y206-F295 HydrophobicContact CE1-CD1 3.61Å; Y206-F295 HydrophobicContact CE1-CE1 4.47Å; Y206-F295 HydrophobicContact CE1-CG 4.48Å; Y206-F295 HydrophobicContact CE2-CB 4.1Å; Y206-F295 HydrophobicContact CG-CD1 4.1Å; Y206-P296 PolarHBondContact OH-O 2.96Å |
| 207 | N | 93 | Very high | 95.2 | Very high | 44 Ų | 44 | 53.7 Ų | 53.7 | 24% | 0.235 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 132.7 | 175.9 | -67.3 | -41.8 | 0 | 0 | 0 | 110.4 | L299 | N207-L299 HydrophobicContact CB-CD1 3.62Å; N207-L299 HydrophobicContact CB-CG 4.18Å; N207-L299 PolarHBondContact O-N 3.14Å |
| 208 | S | 94 | Very high | 94.9 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | B | Isolated β-bridge | trans | -90.6 | 164.2 | 173.6 | 66.1 | 0 | 0 | 0 | 0 | 112.7 | S210 K211 L212 D297 | S208-S210 PolarHBondContact O-N 3.31Å; S208-S210 PolarHBondContact OG-N 3.17Å; S208-S210 PolarHBondContact OG-OG 3.28Å; S208-K211 WeakPolarHBondContact O-CA 3.4Å; S208-K211 PolarHBondContact O-N 3.46Å; S208-L212 PolarHBondContact N-O 3.36Å; S208-L212 PolarHBondContact OG-N 3.03Å; S208-L212 PolarHBondContact OG-O 3.44Å; S208-L212 VanDerWaalsContact OG-O 3.08Å; S208-D297 CarbonylContact C-O 3.36Å; S208-D297 WeakPolarHBondContact CA-O 3.46Å |
| 209 | H | 94 | Very high | 94.7 | Very high | 126 Ų | 126 | 54.5 Ų | 54.5 | 58% | 0.583 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -26.2 | 168.8 | -75.6 | -68.7 | 0 | 0 | 0 | 113.6 | K211 D297 S298 L299 | H209-K211 PolarHBondContact O-N 3.5Å; H209-D297 PolarHBondContact CD2-O 2.93Å; H209-D297 VanDerWaalsContact CD2-O 3.27Å; H209-D297 PolarHBondContact N-O 3.06Å; H209-S298 PolarHBondContact NE2-O 3.4Å; H209-L299 HydrophobicContact CB-CD2 4.42Å |
| 210 | S | 94.8 | Very high | 94.6 | Very high | 74 Ų | 74 | 53.6 Ų | 53.6 | 52% | 0.517 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 6.6 | 173 | 60.7 | 0 | 0 | 0 | 0 | 114.3 | S208 L212 | S208-S210 PolarHBondContact O-N 3.31Å; S208-S210 PolarHBondContact OG-N 3.17Å; S208-S210 PolarHBondContact OG-OG 3.28Å; S210-L212 PolarHBondContact O-N 3.11Å |
| 211 | K | 91.2 | Very high | 94.3 | Very high | 191 Ų | 191 | 55.7 Ų | 55.7 | 83% | 0.83 | 29% | 0.286 | S | S | * | . | S | Bend | trans | 60.2 | 23.5 | -175.5 | -53.4 | 179.9 | 179.6 | 179.6 | 0 | 113.9 | S208 H209 | S208-K211 WeakPolarHBondContact O-CA 3.4Å; S208-K211 PolarHBondContact O-N 3.46Å; H209-K211 PolarHBondContact O-N 3.5Å |
| 212 | L | 93.6 | Very high | 94 | Very high | 109 Ų | 109 | 59.2 Ų | 59.2 | 57% | 0.571 | 31% | 0.307 | S | S | * | . | trans | -96.4 | 144.4 | 172.9 | -61.9 | 176.7 | 0 | 0 | 0 | 109.6 | S208 S210 K214 | S208-L212 PolarHBondContact N-O 3.36Å; S208-L212 PolarHBondContact OG-N 3.03Å; S208-L212 PolarHBondContact OG-O 3.44Å; S208-L212 VanDerWaalsContact OG-O 3.08Å; S210-L212 PolarHBondContact O-N 3.11Å; L212-K214 PolarHBondContact O-N 2.96Å | ||
| 213 | V | 93.8 | Very high | 94 | Very high | 98 Ų | 98 | 60.1 Ų | 60.1 | 59% | 0.594 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83 | 112.9 | 168.6 | -176.9 | 0 | 0 | 0 | 0 | 107.7 | F205 | F205-V213 HydrophobicContact CB-CG1 4.14Å; F205-V213 HydrophobicContact CD1-CG1 4.12Å |
| 214 | K | 95.3 | Very high | 94 | Very high | 60 Ų | 60 | 63.1 Ų | 63.1 | 26% | 0.261 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 159.8 | 171 | -66.7 | -175.6 | -174.5 | 176.6 | 0 | 109.1 | F205 Y206 L212 P296 D297 | F205-K214 WeakPolarHBondContact CA-O 3.32Å; Y206-K214 HydrophobicContact CD1-CB 4.16Å; Y206-K214 HydrophobicContact CD2-CB 4.43Å; Y206-K214 HydrophobicContact CE1-CB 3.57Å; Y206-K214 HydrophobicContact CE2-CB 3.88Å; Y206-K214 HydrophobicContact CE2-CD 4.01Å; Y206-K214 HydrophobicContact CE2-CG 4.46Å; Y206-K214 VanDerWaalsContact CZ-CB 3.42Å; Y206-K214 PolarHBondContact N-O 2.87Å; Y206-K214 PolarHBondContact O-N 3.29Å; Y206-K214 WeakPolarHBondContact OH-CD 3.48Å; L212-K214 PolarHBondContact O-N 2.96Å; K214-P296 PolarHBondContact NZ-O 3.49Å; K214-D297 IonicContact NZ-OD2 3.7Å; K214-D297 PolarHBondContact NZ-OD2 2.88Å |
| 215 | S | 95.2 | Very high | 94.1 | Very high | 56 Ų | 56 | 65.2 Ų | 65.2 | 39% | 0.392 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 149.3 | 173.3 | 78.2 | 0 | 0 | 0 | 0 | 112 | Q203 V204 | Q203-S215 PolarHBondContact NE2-OG 3Å; V204-S215 CarbonylContact O-C 3.57Å; V204-S215 WeakPolarHBondContact O-CA 3.44Å |
| 216 | Y | 94.5 | Very high | 94.2 | Very high | 55 Ų | 55 | 64.7 Ų | 64.7 | 22% | 0.216 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 126.3 | 176.6 | -169.6 | -106.8 | 0 | 0 | 0 | 109.8 | Q203 V204 F218 Y246 L294 F295 | Q203-Y216 CarbonylContact C-O 3.5Å; Q203-Y216 WeakPolarHBondContact CA-O 3Å; V204-Y216 PolarHBondContact N-O 2.81Å; V204-Y216 PolarHBondContact O-N 3.13Å; Y216-F218 AromaticContact CD1-CD1 3.97Å; Y216-F218 HydrophobicContact CD1-CD1 3.97Å; Y216-F218 HydrophobicContact CE1-CB 4.17Å; Y216-F218 HydrophobicContact CE1-CD1 4.3Å; Y216-Y246 AromaticContact CE1-CE2 3.89Å; Y216-Y246 HydrophobicContact CE1-CE2 3.89Å; Y216-Y246 AromaticContact CZ-CE2 3.75Å; Y216-Y246 WeakPolarHBondContact OH-CE2 3.41Å; Y216-Y246 VanDerWaalsContact OH-CZ 3.3Å; Y216-Y246 PolarHBondContact OH-OH 3.36Å; Y216-L294 HydrophobicContact CE1-CD2 3.98Å; Y216-L294 WeakPolarHBondContact OH-CD2 3.38Å; Y216-F295 HydrophobicContact CD1-CE1 4.42Å; Y216-F295 HydrophobicContact CG-CE1 4.4Å |
| 217 | K | 94.9 | Very high | 94.3 | Very high | 109 Ų | 109 | 70.2 Ų | 70.2 | 47% | 0.474 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 135.4 | 178.7 | -70.5 | -174.2 | 176.6 | -177.4 | 0 | 110.2 | F202 Q203 | F202-K217 VanDerWaalsContact O-CA 3.27Å; F202-K217 WeakPolarHBondContact O-CA 3.49Å; Q203-K217 HydrophobicContact CB-CG 3.88Å; Q203-K217 HydrophobicContact CG-CD 4.45Å; Q203-K217 HydrophobicContact CG-CG 3.66Å; Q203-K217 VanDerWaalsContact NE2-CE 3.34Å |
| 218 | F | 92.1 | Very high | 94.5 | Very high | 6 Ų | 6 | 75.6 Ų | 75.6 | 3% | 0.026 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 148.1 | 173.2 | 62.5 | -84.3 | 0 | 0 | 0 | 110.4 | M201 F202 V204 Y216 F243 Y246 W254 | M201-F218 WeakPolarHBondContact CA-O 3.45Å; M201-F218 WeakPolarHBondContact CG-O 3.35Å; F202-F218 HydrophobicContact CB-CD1 4.11Å; F202-F218 HydrophobicContact CB-CD2 4.26Å; F202-F218 HydrophobicContact CB-CE1 3.45Å; F202-F218 VanDerWaalsContact CB-CE1 3.45Å; F202-F218 HydrophobicContact CB-CE2 3.62Å; F202-F218 HydrophobicContact CB-CG 4.47Å; F202-F218 HydrophobicContact CB-CZ 3.16Å; F202-F218 HydrophobicContact CD1-CZ 4.4Å; F202-F218 AromaticContact CD2-CD2 3.94Å; F202-F218 HydrophobicContact CD2-CD2 3.94Å; F202-F218 AromaticContact CD2-CE2 3.14Å; F202-F218 HydrophobicContact CD2-CE2 3.14Å; F202-F218 AromaticContact CD2-CZ 3.52Å; F202-F218 HydrophobicContact CD2-CZ 3.52Å; F202-F218 AromaticContact CE2-CE2 3.93Å; F202-F218 HydrophobicContact CE2-CE2 3.93Å; F202-F218 HydrophobicContact CE2-CZ 4.44Å; F202-F218 HydrophobicContact CG-CE1 4.26Å; F202-F218 AromaticContact CG-CE2 3.64Å; F202-F218 HydrophobicContact CG-CE2 3.64Å; F202-F218 AromaticContact CG-CZ 3.46Å; F202-F218 HydrophobicContact CG-CZ 3.46Å; F202-F218 VanDerWaalsContact CG-CZ 3.46Å; F202-F218 PolarHBondContact N-O 3.45Å; F202-F218 PolarHBondContact O-N 3.34Å; V204-F218 HydrophobicContact CG2-CE1 3.77Å; V204-F218 HydrophobicContact CG2-CZ 4.4Å; Y216-F218 AromaticContact CD1-CD1 3.97Å; Y216-F218 HydrophobicContact CD1-CD1 3.97Å; Y216-F218 HydrophobicContact CE1-CB 4.17Å; Y216-F218 HydrophobicContact CE1-CD1 4.3Å; F218-F243 HydrophobicContact CD2-CE2 4.43Å; F218-F243 AromaticContact CE2-CE2 3.75Å; F218-F243 HydrophobicContact CE2-CE2 3.75Å; F218-F243 HydrophobicContact CE2-CZ 4.19Å; F218-Y246 HydrophobicContact CB-CE2 4.28Å; F218-W254 HydrophobicContact CD1-CH2 4.3Å; F218-W254 AromaticContact CD1-CZ3 3.77Å; F218-W254 HydrophobicContact CD1-CZ3 3.77Å; F218-W254 HydrophobicContact CD2-CE3 4.42Å; F218-W254 AromaticContact CD2-CZ3 3.88Å; F218-W254 HydrophobicContact CD2-CZ3 3.88Å; F218-W254 HydrophobicContact CE1-CE3 4.17Å; F218-W254 AromaticContact CE1-CH2 3.94Å; F218-W254 HydrophobicContact CE1-CH2 3.94Å; F218-W254 AromaticContact CE1-CZ3 3.27Å; F218-W254 HydrophobicContact CE1-CZ3 3.27Å; F218-W254 AromaticContact CE2-CE3 3.65Å; F218-W254 HydrophobicContact CE2-CE3 3.65Å; F218-W254 AromaticContact CE2-CZ3 3.39Å; F218-W254 HydrophobicContact CE2-CZ3 3.39Å; F218-W254 HydrophobicContact CG-CZ3 4.06Å; F218-W254 AromaticContact CZ-CE3 3.51Å; F218-W254 HydrophobicContact CZ-CE3 3.51Å; F218-W254 HydrophobicContact CZ-CH2 4.14Å; F218-W254 AromaticContact CZ-CZ3 3.06Å; F218-W254 HydrophobicContact CZ-CZ3 3.06Å |
| 219 | T | 93.7 | Very high | 94.7 | Very high | 64 Ų | 64 | 79 Ų | 79 | 39% | 0.393 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 144 | 172.5 | -55.9 | 0 | 0 | 0 | 0 | 108.9 | I200 S221 | I200-T219 WeakPolarHBondContact O-CA 3.46Å; I200-T219 WeakPolarHBondContact O-CG2 3.39Å; T219-S221 PolarHBondContact O-N 2.78Å; T219-S221 VanDerWaalsContact O-N 3.1Å |
| 220 | L | 94.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 73.7 Ų | 73.7 | 1% | 0.005 | 40% | 0.396 | C | S | . | . | trans | -65.4 | 108 | 173.4 | -176.3 | 67.6 | 0 | 0 | 0 | 108.8 | H182 F184 I200 F202 A223 L241 F243 | H182-L220 PolarHBondContact CD2-O 2.93Å; H182-L220 PolarHBondContact NE2-O 3.2Å; F184-L220 HydrophobicContact CZ-CD2 4.38Å; I200-L220 HydrophobicContact CB-CB 3.82Å; I200-L220 HydrophobicContact CB-CD2 4.01Å; I200-L220 HydrophobicContact CD1-CD2 3.68Å; I200-L220 HydrophobicContact CG1-CD2 4.32Å; I200-L220 HydrophobicContact CG2-CB 4.09Å; I200-L220 HydrophobicContact CG2-CD2 4.37Å; I200-L220 PolarHBondContact O-N 2.82Å; F202-L220 HydrophobicContact CE2-CB 4.37Å; F202-L220 HydrophobicContact CE2-CD1 4.38Å; L220-A223 HydrophobicContact CD1-CB 3.83Å; L220-A223 HydrophobicContact CD2-CB 3.97Å; L220-A223 HydrophobicContact CG-CB 3.84Å; L220-L241 HydrophobicContact CD2-CD1 4.09Å; L220-F243 HydrophobicContact CD1-CB 3.88Å; L220-F243 HydrophobicContact CD1-CD1 3.26Å; L220-F243 HydrophobicContact CD1-CD2 3.52Å; L220-F243 HydrophobicContact CD1-CE1 3.48Å; L220-F243 VanDerWaalsContact CD1-CE1 3.48Å; L220-F243 HydrophobicContact CD1-CE2 3.7Å; L220-F243 HydrophobicContact CD1-CG 3.27Å; L220-F243 HydrophobicContact CD1-CZ 3.68Å | ||
| 221 | S | 89.9 | Confident | 95 | Very high | 44 Ų | 44 | 72.9 Ų | 72.9 | 31% | 0.308 | 39% | 0.388 | S | S | . | . | trans | -121.8 | 144.5 | 175.7 | 62.4 | 0 | 0 | 0 | 0 | 110 | T219 A223 | T219-S221 PolarHBondContact O-N 2.78Å; T219-S221 VanDerWaalsContact O-N 3.1Å; S221-A223 VanDerWaalsContact C-N 3.3Å; S221-A223 PolarHBondContact O-N 3.03Å | ||
| 222 | N | 90.3 | Very high | 95.4 | Very high | 126 Ų | 126 | 65 Ų | 65 | 67% | 0.674 | 36% | 0.356 | S | S | * | . | S | Bend | trans | 58.1 | 37.6 | 176.2 | -51.9 | -31.8 | 0 | 0 | 0 | 113.9 | ||
| 223 | A | 95.8 | Very high | 95.5 | Very high | 19 Ų | 19 | 61.6 Ų | 61.6 | 16% | 0.157 | 34% | 0.342 | C | S | . | . | trans | -76.5 | 136.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F184 L220 S221 T242 F243 | F184-A223 HydrophobicContact CE1-CB 3.97Å; F184-A223 HydrophobicContact CZ-CB 3.84Å; L220-A223 HydrophobicContact CD1-CB 3.83Å; L220-A223 HydrophobicContact CD2-CB 3.97Å; L220-A223 HydrophobicContact CG-CB 3.84Å; S221-A223 VanDerWaalsContact C-N 3.3Å; S221-A223 PolarHBondContact O-N 3.03Å; A223-T242 WeakPolarHBondContact CA-O 3.26Å; A223-F243 HydrophobicContact CB-CB 3.98Å | ||
| 224 | T | 96.9 | Very high | 95.7 | Very high | 88 Ų | 88 | 64 Ų | 64 | 54% | 0.54 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 145.2 | 174.8 | 59.1 | 0 | 0 | 0 | 0 | 109.5 | L241 T242 | T224-L241 WeakPolarHBondContact O-CA 3.34Å; T224-T242 PolarHBondContact N-O 3.29Å; T224-T242 PolarHBondContact O-N 3.17Å; T224-T242 PolarHBondContact OG1-O 3.25Å |
| 225 | I | 98.2 | Very high | 95.8 | Very high | 43 Ų | 43 | 66.2 Ų | 66.2 | 22% | 0.221 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 134.3 | 173.8 | -59.3 | 176.2 | 0 | 0 | 0 | 108.6 | F184 S185 L186 S230 L239 L241 | F184-I225 HydrophobicContact CB-CD1 4.14Å; F184-I225 HydrophobicContact CB-CG1 4.48Å; F184-I225 HydrophobicContact CD1-CD1 4.35Å; F184-I225 HydrophobicContact CD1-CG1 3.92Å; S185-I225 VanDerWaalsContact O-CD1 3.25Å; S185-I225 WeakPolarHBondContact O-CD1 3.26Å; L186-I225 HydrophobicContact CD2-CD1 4.16Å; L186-I225 HydrophobicContact CD2-CG2 3.73Å; I225-S230 WeakPolarHBondContact CG2-OG 3.36Å; I225-L239 HydrophobicContact CG1-CD1 4.34Å; I225-L239 HydrophobicContact CG2-CD1 4.39Å; I225-L241 HydrophobicContact CG1-CD2 3.96Å |
| 226 | N | 97.7 | Very high | 95.9 | Very high | 35 Ų | 35 | 68.2 Ų | 68.2 | 19% | 0.187 | 36% | 0.357 | C | S | . | . | trans | -90.5 | 95.4 | 168.6 | -178.1 | -6.8 | 0 | 0 | 0 | 108.1 | N228 E229 S230 S240 | N226-N228 PolarHBondContact O-N 3.38Å; N226-N228 PolarHBondContact OD1-N 3.07Å; N226-E229 HydrophobicContact CB-CB 4.38Å; N226-E229 WeakPolarHBondContact ND2-CG 3.24Å; N226-E229 PolarHBondContact ND2-OE1 3.46Å; N226-E229 PolarHBondContact O-N 3.48Å; N226-E229 VanDerWaalsContact O-N 3.11Å; N226-S230 WeakPolarHBondContact O-CB 3.33Å; N226-S230 PolarHBondContact O-N 2.9Å; N226-S230 PolarHBondContact O-OG 2.74Å; N226-S240 PolarHBondContact N-O 3.39Å | ||
| 227 | D | 96.7 | Very high | 96.1 | Very high | 127 Ų | 127 | 65.7 Ų | 65.7 | 68% | 0.679 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -28.5 | -175 | -64 | -35.4 | 0 | 0 | 0 | 112.8 | E229 | D227-E229 VanDerWaalsContact C-N 3.27Å; D227-E229 PolarHBondContact O-N 3.06Å |
| 228 | N | 97.3 | Very high | 96.3 | Very high | 156 Ų | 156 | 63.2 Ų | 63.2 | 83% | 0.834 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -22.8 | 179.1 | -65.1 | -24.1 | 0 | 0 | 0 | 112.8 | N226 | N226-N228 PolarHBondContact O-N 3.38Å; N226-N228 PolarHBondContact OD1-N 3.07Å |
| 229 | E | 97.6 | Very high | 96.6 | Very high | 72 Ų | 72 | 62.9 Ų | 62.9 | 34% | 0.336 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | -17.7 | -178.3 | -73.6 | -175.3 | -165.1 | 0 | 0 | 113.7 | N226 D227 K238 S240 | N226-E229 HydrophobicContact CB-CB 4.38Å; N226-E229 WeakPolarHBondContact ND2-CG 3.24Å; N226-E229 PolarHBondContact ND2-OE1 3.46Å; N226-E229 PolarHBondContact O-N 3.48Å; N226-E229 VanDerWaalsContact O-N 3.11Å; D227-E229 VanDerWaalsContact C-N 3.27Å; D227-E229 PolarHBondContact O-N 3.06Å; E229-K238 WeakPolarHBondContact O-CD 3.19Å; E229-K238 VanDerWaalsContact O-CE 3.29Å; E229-K238 WeakPolarHBondContact O-CE 3.5Å; E229-K238 PolarHBondContact O-NZ 3.4Å; E229-S240 WeakPolarHBondContact OE2-CB 3.49Å; E229-S240 PolarHBondContact OE2-OG 3.46Å |
| 230 | S | 98.5 | Very high | 96.8 | Very high | 15 Ų | 15 | 59.9 Ų | 59.9 | 11% | 0.105 | 32% | 0.317 | C | S | . | . | trans | -85.8 | 130.3 | 178.8 | -56.6 | 0 | 0 | 0 | 0 | 109.6 | I225 N226 K238 S240 | I225-S230 WeakPolarHBondContact CG2-OG 3.36Å; N226-S230 WeakPolarHBondContact O-CB 3.33Å; N226-S230 PolarHBondContact O-N 2.9Å; N226-S230 PolarHBondContact O-OG 2.74Å; S230-K238 CarbonylContact C-O 3.57Å; S230-K238 WeakPolarHBondContact CA-O 3.31Å; S230-S240 PolarHBondContact OG-N 3.39Å; S230-S240 PolarHBondContact OG-O 3.12Å | ||
| 231 | V | 98.3 | Very high | 97 | Very high | 57 Ų | 57 | 59.8 Ų | 59.8 | 35% | 0.345 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 134.6 | -171.7 | 179.8 | 0 | 0 | 0 | 0 | 109.3 | Y236 T237 K238 | V231-Y236 HydrophobicContact CB-CE2 4.23Å; V231-Y236 HydrophobicContact CG1-CE2 4.06Å; V231-T237 CarbonylContact O-C 3.45Å; V231-T237 VanDerWaalsContact O-CA 3.29Å; V231-T237 WeakPolarHBondContact O-CA 3.16Å; V231-K238 PolarHBondContact N-O 3.43Å; V231-K238 PolarHBondContact O-N 3.47Å |
| 232 | C | 97.9 | Very high | 97.4 | Very high | 25 Ų | 25 | 58.6 Ų | 58.6 | 17% | 0.169 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 112.1 | 164.7 | -77.9 | 0 | 0 | 0 | 0 | 109.2 | C193 | C193-C232 HydrophobicContact CB-CB 3.5Å; C193-C232 WeakPolarHBondContact CB-SG 3.39Å; C193-C232 WeakPolarHBondContact SG-CB 3.48Å; C193-C232 CovalentContact SG-SG 2.02Å; C193-C232 PolarHBondContact SG-SG 3.5Å |
| 233 | S | 97.5 | Very high | 97.7 | Very high | 38 Ų | 38 | 52.9 Ų | 52.9 | 27% | 0.266 | 28% | 0.277 | S | S | . | . | trans | -116.7 | 176.4 | 172.2 | 75.8 | 0 | 0 | 0 | 0 | 110.3 | H235 Y236 | S233-H235 VanDerWaalsContact C-N 3.27Å; S233-H235 PolarHBondContact O-N 2.78Å; S233-H235 PolarHBondContact OG-N 3.01Å; S233-Y236 WeakPolarHBondContact CA-O 3.34Å; S233-Y236 WeakPolarHBondContact CB-O 3.22Å; S233-Y236 PolarHBondContact N-O 3.01Å; S233-Y236 WeakPolarHBondContact OG-CD1 3.23Å; S233-Y236 WeakPolarHBondContact OG-CE1 3.48Å; S233-Y236 PolarHBondContact OG-N 3.45Å; S233-Y236 PolarHBondContact OG-O 2.76Å | ||
| 234 | E | 96.7 | Very high | 97.5 | Very high | 149 Ų | 149 | 53.6 Ų | 53.6 | 70% | 0.696 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -67.5 | -28.3 | 176.9 | -62.8 | -174.5 | 171.9 | 0 | 0 | 112.9 | R262 | E234-R262 WeakPolarHBondContact O-CD 3.44Š|
| 235 | H | 97.5 | Very high | 97 | Very high | 106 Ų | 106 | 50.1 Ų | 50.1 | 49% | 0.491 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -107.8 | -27 | -172.6 | -60.1 | -59.7 | 0 | 0 | 0 | 114.2 | S233 R262 E264 | S233-H235 VanDerWaalsContact C-N 3.27Å; S233-H235 PolarHBondContact O-N 2.78Å; S233-H235 PolarHBondContact OG-N 3.01Å; H235-R262 WeakPolarHBondContact O-CB 3Å; H235-R262 PolarHBondContact O-N 3.26Å; H235-E264 IonicContact CE1-OE1 2.71Å |
| 236 | Y | 98.2 | Very high | 96.2 | Very high | 98 Ų | 98 | 54.4 Ų | 54.4 | 38% | 0.384 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 152.4 | 177.5 | 70.1 | -87.9 | 0 | 0 | 0 | 111.7 | V231 S233 L259 F260 N261 | V231-Y236 HydrophobicContact CB-CE2 4.23Å; V231-Y236 HydrophobicContact CG1-CE2 4.06Å; S233-Y236 WeakPolarHBondContact CA-O 3.34Å; S233-Y236 WeakPolarHBondContact CB-O 3.22Å; S233-Y236 PolarHBondContact N-O 3.01Å; S233-Y236 WeakPolarHBondContact OG-CD1 3.23Å; S233-Y236 WeakPolarHBondContact OG-CE1 3.48Å; S233-Y236 PolarHBondContact OG-N 3.45Å; S233-Y236 PolarHBondContact OG-O 2.76Å; Y236-L259 HydrophobicContact CD2-CD1 4.04Å; Y236-F260 CarbonylContact C-O 3.54Å; Y236-F260 WeakPolarHBondContact CA-O 3.34Å; Y236-F260 WeakPolarHBondContact CB-O 3.3Å; Y236-N261 WeakPolarHBondContact CB-OD1 2.98Å |
| 237 | T | 98.6 | Very high | 95 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 126.6 | 169.6 | -62.6 | 0 | 0 | 0 | 0 | 108.5 | L186 F194 V231 F260 F354 | L186-T237 HydrophobicContact CD1-CG2 4.12Å; F194-T237 HydrophobicContact CB-CG2 3.82Å; F194-T237 HydrophobicContact CD1-CG2 4.41Å; F194-T237 HydrophobicContact CD2-CG2 3.58Å; F194-T237 HydrophobicContact CE2-CG2 4.22Å; F194-T237 HydrophobicContact CG-CG2 3.69Å; V231-T237 CarbonylContact O-C 3.45Å; V231-T237 VanDerWaalsContact O-CA 3.29Å; V231-T237 WeakPolarHBondContact O-CA 3.16Å; T237-F260 PolarHBondContact N-O 2.81Å; T237-F260 PolarHBondContact O-N 3.47Å; T237-F354 WeakPolarHBondContact OG1-CE1 3.47Å |
| 238 | K | 98.6 | Very high | 93.8 | Very high | 57 Ų | 57 | 59.3 Ų | 59.3 | 25% | 0.248 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 121.5 | 176.6 | -178.2 | -179.7 | 167.8 | -155.9 | 0 | 108.5 | E229 S230 V231 V257 L258 L259 | E229-K238 WeakPolarHBondContact O-CD 3.19Å; E229-K238 VanDerWaalsContact O-CE 3.29Å; E229-K238 WeakPolarHBondContact O-CE 3.5Å; E229-K238 PolarHBondContact O-NZ 3.4Å; S230-K238 CarbonylContact C-O 3.57Å; S230-K238 WeakPolarHBondContact CA-O 3.31Å; V231-K238 PolarHBondContact N-O 3.43Å; V231-K238 PolarHBondContact O-N 3.47Å; K238-V257 HydrophobicContact CD-CG1 4.15Å; K238-V257 VanDerWaalsContact CE-CG1 3.45Å; K238-V257 HydrophobicContact CG-CG1 3.85Å; K238-L258 WeakPolarHBondContact CA-O 3.1Å; K238-L259 HydrophobicContact CB-CD1 4.13Å |
| 239 | L | 98.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 117 | 169.2 | 176.4 | 66.3 | 0 | 0 | 0 | 108.2 | F184 L186 F194 F196 I225 L241 V257 L258 | F184-L239 HydrophobicContact CB-CD2 4.35Å; L186-L239 HydrophobicContact CD1-CD1 4.23Å; L186-L239 HydrophobicContact CD2-CD1 4.07Å; L186-L239 HydrophobicContact CG-CD1 4.25Å; F194-L239 HydrophobicContact CE1-CB 3.88Å; F194-L239 HydrophobicContact CE1-CD1 4.42Å; F194-L239 HydrophobicContact CE1-CD2 3.67Å; F194-L239 HydrophobicContact CE1-CG 4.17Å; F194-L239 HydrophobicContact CZ-CB 4.34Å; F194-L239 HydrophobicContact CZ-CD2 4.32Å; F196-L239 HydrophobicContact CB-CD2 4.1Å; F196-L239 HydrophobicContact CD1-CD2 4.03Å; F196-L239 HydrophobicContact CG-CD2 4.08Å; I225-L239 HydrophobicContact CG1-CD1 4.34Å; I225-L239 HydrophobicContact CG2-CD1 4.39Å; L239-L241 HydrophobicContact CD1-CD2 3.81Å; L239-L241 HydrophobicContact CD1-CG 4.47Å; L239-L241 HydrophobicContact CD2-CD1 4.29Å; L239-L241 HydrophobicContact CD2-CD2 4.11Å; L239-L241 HydrophobicContact CD2-CG 4.16Å; L239-L241 HydrophobicContact CG-CD2 3.96Å; L239-L241 HydrophobicContact CG-CG 4.08Å; L239-V257 CarbonylContact O-C 3.51Å; L239-V257 WeakPolarHBondContact O-CA 3.01Å; L239-L258 HydrophobicContact CB-CB 4.43Å; L239-L258 HydrophobicContact CD2-CD1 4.19Å; L239-L258 PolarHBondContact N-O 2.93Å; L239-L258 PolarHBondContact O-N 3.08Å |
| 240 | S | 98.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 117.2 | 172.8 | -174.8 | 0 | 0 | 0 | 0 | 109.2 | N226 E229 S230 T255 L256 | N226-S240 PolarHBondContact N-O 3.39Å; E229-S240 WeakPolarHBondContact OE2-CB 3.49Å; E229-S240 PolarHBondContact OE2-OG 3.46Å; S230-S240 PolarHBondContact OG-N 3.39Å; S230-S240 PolarHBondContact OG-O 3.12Å; S240-T255 WeakPolarHBondContact OG-CG2 3.37Å; S240-L256 WeakPolarHBondContact CA-O 3.36Å |
| 241 | L | 98.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 134.1 | 177.5 | -59.5 | -177.5 | 0 | 0 | 0 | 109.5 | F184 L220 T224 I225 L239 T255 L256 | F184-L241 HydrophobicContact CD1-CD1 4.38Å; F184-L241 HydrophobicContact CD1-CD2 3.48Å; F184-L241 VanDerWaalsContact CD1-CD2 3.48Å; F184-L241 HydrophobicContact CD2-CD1 4.23Å; F184-L241 HydrophobicContact CE1-CD1 4.03Å; F184-L241 HydrophobicContact CE1-CD2 3.62Å; F184-L241 HydrophobicContact CE1-CG 4.46Å; F184-L241 HydrophobicContact CE2-CD1 3.81Å; F184-L241 HydrophobicContact CG-CD1 4.45Å; F184-L241 HydrophobicContact CG-CD2 3.97Å; F184-L241 HydrophobicContact CZ-CD1 3.71Å; F184-L241 HydrophobicContact CZ-CD2 4.19Å; L220-L241 HydrophobicContact CD2-CD1 4.09Å; T224-L241 WeakPolarHBondContact O-CA 3.34Å; I225-L241 HydrophobicContact CG1-CD2 3.96Å; L239-L241 HydrophobicContact CD1-CD2 3.81Å; L239-L241 HydrophobicContact CD1-CG 4.47Å; L239-L241 HydrophobicContact CD2-CD1 4.29Å; L239-L241 HydrophobicContact CD2-CD2 4.11Å; L239-L241 HydrophobicContact CD2-CG 4.16Å; L239-L241 HydrophobicContact CG-CD2 3.96Å; L239-L241 HydrophobicContact CG-CG 4.08Å; L241-T255 CarbonylContact O-C 3.59Å; L241-T255 VanDerWaalsContact O-CA 3.24Å; L241-T255 WeakPolarHBondContact O-CA 3.35Å; L241-L256 HydrophobicContact CB-CB 4.38Å; L241-L256 HydrophobicContact CD1-CD2 4.32Å; L241-L256 PolarHBondContact N-O 3.08Å; L241-L256 PolarHBondContact O-N 2.94Å |
| 242 | T | 97.3 | Very high | 91.3 | Very high | 19 Ų | 19 | 65.4 Ų | 65.4 | 12% | 0.117 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 135.5 | 174 | -56.4 | 0 | 0 | 0 | 0 | 109.8 | A223 T224 K253 W254 | A223-T242 WeakPolarHBondContact CA-O 3.26Å; T224-T242 PolarHBondContact N-O 3.29Å; T224-T242 PolarHBondContact O-N 3.17Å; T224-T242 PolarHBondContact OG1-O 3.25Å; T242-K253 HydrophobicContact CG2-CB 3.66Å; T242-K253 HydrophobicContact CG2-CD 3.77Å; T242-K253 HydrophobicContact CG2-CG 4.04Å; T242-W254 CarbonylContact C-O 3.5Å; T242-W254 VanDerWaalsContact CA-O 3.31Å; T242-W254 WeakPolarHBondContact CA-O 3.16Å |
| 243 | F | 95.8 | Very high | 91.1 | Very high | 6 Ų | 6 | 69.3 Ų | 69.3 | 3% | 0.026 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 161.1 | -177.4 | 60.5 | -82.5 | 0 | 0 | 0 | 111.5 | F202 F218 L220 A223 W254 L256 L286 | F202-F243 AromaticContact CE2-CZ 3.96Å; F202-F243 HydrophobicContact CE2-CZ 3.96Å; F202-F243 HydrophobicContact CZ-CZ 4.36Å; F218-F243 HydrophobicContact CD2-CE2 4.43Å; F218-F243 AromaticContact CE2-CE2 3.75Å; F218-F243 HydrophobicContact CE2-CE2 3.75Å; F218-F243 HydrophobicContact CE2-CZ 4.19Å; L220-F243 HydrophobicContact CD1-CB 3.88Å; L220-F243 HydrophobicContact CD1-CD1 3.26Å; L220-F243 HydrophobicContact CD1-CD2 3.52Å; L220-F243 HydrophobicContact CD1-CE1 3.48Å; L220-F243 VanDerWaalsContact CD1-CE1 3.48Å; L220-F243 HydrophobicContact CD1-CE2 3.7Å; L220-F243 HydrophobicContact CD1-CG 3.27Å; L220-F243 HydrophobicContact CD1-CZ 3.68Å; A223-F243 HydrophobicContact CB-CB 3.98Å; F243-W254 HydrophobicContact CD1-CB 4.39Å; F243-W254 HydrophobicContact CD2-CB 4.18Å; F243-W254 HydrophobicContact CE1-CB 4.03Å; F243-W254 HydrophobicContact CE2-CB 3.82Å; F243-W254 HydrophobicContact CE2-CD2 4.33Å; F243-W254 AromaticContact CE2-CE3 3.66Å; F243-W254 HydrophobicContact CE2-CE3 3.66Å; F243-W254 HydrophobicContact CE2-CG 4.44Å; F243-W254 HydrophobicContact CG-CB 4.47Å; F243-W254 HydrophobicContact CZ-CB 3.74Å; F243-W254 HydrophobicContact CZ-CE3 4.13Å; F243-W254 PolarHBondContact N-O 2.71Å; F243-W254 PolarHBondContact O-N 3.09Å; F243-L256 HydrophobicContact CE1-CB 4.07Å; F243-L286 HydrophobicContact CE1-CD1 4.32Å; F243-L286 HydrophobicContact CZ-CD1 3.95Å |
| 244 | I | 92.4 | Very high | 91 | Very high | 34 Ų | 34 | 67.6 Ų | 67.6 | 17% | 0.174 | 32% | 0.315 | C | S | . | . | trans | -117.4 | 118.6 | 178.8 | -59.5 | 163.1 | 0 | 0 | 0 | 108 | Y246 G247 N249 E250 K253 | I244-Y246 PolarHBondContact O-N 3.46Å; I244-G247 PolarHBondContact O-N 3.13Å; I244-N249 WeakPolarHBondContact CG2-O 3.48Å; I244-E250 HydrophobicContact CD1-CB 4.36Å; I244-E250 HydrophobicContact CD1-CG 4.05Å; I244-K253 HydrophobicContact CD1-CG 4.47Å; I244-K253 HydrophobicContact CG1-CG 3.98Å | ||
| 245 | P | 86.5 | Confident | 91.1 | Very high | 15 Ų | 15 | 61.7 Ų | 61.7 | 10% | 0.097 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -61.6 | 124.7 | 175.2 | 30 | -38.3 | 0 | 0 | 0 | 109.8 | G247 W254 L294 | P245-G247 PolarHBondContact O-N 3.04Å; P245-W254 HydrophobicContact CB-CD2 4.43Å; P245-W254 HydrophobicContact CB-CE3 4.2Å; P245-W254 HydrophobicContact CB-CH2 3.9Å; P245-W254 HydrophobicContact CB-CZ2 4.18Å; P245-W254 HydrophobicContact CB-CZ3 3.83Å; P245-W254 HydrophobicContact CG-CD2 3.88Å; P245-W254 HydrophobicContact CG-CE3 4.15Å; P245-W254 HydrophobicContact CG-CG 4.5Å; P245-W254 HydrophobicContact CG-CH2 3.89Å; P245-W254 HydrophobicContact CG-CZ2 3.64Å; P245-W254 HydrophobicContact CG-CZ3 4.06Å; P245-L294 HydrophobicContact CB-CD1 3.89Å; P245-L294 HydrophobicContact CG-CD1 3.68Å |
| 246 | Y | 81.2 | Confident | 91.1 | Very high | 133 Ų | 133 | 56.7 Ų | 56.7 | 52% | 0.522 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | 57.5 | 14.3 | 177.9 | -63.2 | -86.5 | 0 | 0 | 0 | 116.6 | Y216 F218 I244 R248 L294 | Y216-Y246 AromaticContact CE1-CE2 3.89Å; Y216-Y246 HydrophobicContact CE1-CE2 3.89Å; Y216-Y246 AromaticContact CZ-CE2 3.75Å; Y216-Y246 WeakPolarHBondContact OH-CE2 3.41Å; Y216-Y246 VanDerWaalsContact OH-CZ 3.3Å; Y216-Y246 PolarHBondContact OH-OH 3.36Å; F218-Y246 HydrophobicContact CB-CE2 4.28Å; I244-Y246 PolarHBondContact O-N 3.46Å; Y246-R248 WeakPolarHBondContact O-CG 3.44Å; Y246-R248 PolarHBondContact O-N 3.42Å; Y246-R248 VanDerWaalsContact O-N 3.12Å; Y246-L294 HydrophobicContact CD2-CD2 4.05Å; Y246-L294 HydrophobicContact CE2-CD2 4.46Å |
| 247 | G | 73.1 | Confident | 91.1 | Very high | 53 Ų | 53 | 53.2 Ų | 53.2 | 55% | 0.546 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | 61 | 20.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | I244 P245 | I244-G247 PolarHBondContact O-N 3.13Å; P245-G247 PolarHBondContact O-N 3.04Å |
| 248 | R | 72.1 | Confident | 91.1 | Very high | 212 Ų | 212 | 53.2 Ų | 53.2 | 80% | 0.8 | 26% | 0.255 | S | S | * | . | trans | -89.6 | -34.1 | -172 | -68.3 | -162.7 | -177.1 | -155.7 | 1.6 | 114.9 | Y246 | Y246-R248 WeakPolarHBondContact O-CG 3.44Å; Y246-R248 PolarHBondContact O-N 3.42Å; Y246-R248 VanDerWaalsContact O-N 3.12Å | ||
| 249 | N | 77 | Confident | 91.1 | Very high | 62 Ų | 62 | 52.8 Ų | 52.8 | 33% | 0.332 | 26% | 0.255 | S | S | . | . | trans | -136.3 | 105 | -170.9 | -65.9 | -32 | 0 | 0 | 0 | 111.2 | I244 E251 H252 D291 | I244-N249 WeakPolarHBondContact CG2-O 3.48Å; N249-E251 PolarHBondContact O-N 2.57Å; N249-H252 HydrophobicContact CB-CB 4.49Å; N249-H252 PolarHBondContact O-N 2.66Å; N249-D291 PolarHBondContact ND2-OD2 2.82Å | ||
| 250 | E | 82.9 | Confident | 91.1 | Very high | 160 Ų | 160 | 52.8 Ų | 52.8 | 75% | 0.748 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -18.4 | 178.5 | -64.7 | -170.7 | 177.5 | 0 | 0 | 113.7 | I244 H252 K253 | I244-E250 HydrophobicContact CD1-CB 4.36Å; I244-E250 HydrophobicContact CD1-CG 4.05Å; E250-H252 VanDerWaalsContact C-N 3.29Å; E250-H252 PolarHBondContact O-N 3.09Å; E250-K253 WeakPolarHBondContact O-CE 3.49Å |
| 251 | E | 87.2 | Confident | 91.1 | Very high | 165 Ų | 165 | 55 Ų | 55 | 77% | 0.771 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -15.3 | 179.1 | -62.4 | -173.9 | 176.4 | 0 | 0 | 113.5 | N249 Y304 | N249-E251 PolarHBondContact O-N 2.57Å; E251-Y304 PolarHBondContact O-OH 2.79Å |
| 252 | H | 90.6 | Very high | 91.1 | Very high | 40 Ų | 40 | 59 Ų | 59 | 19% | 0.185 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -122.2 | 53.7 | -170.5 | -60.8 | -26.8 | 0 | 0 | 0 | 111.6 | N249 E250 W254 Y289 | N249-H252 HydrophobicContact CB-CB 4.49Å; N249-H252 PolarHBondContact O-N 2.66Å; E250-H252 VanDerWaalsContact C-N 3.29Å; E250-H252 PolarHBondContact O-N 3.09Å; H252-W254 VanDerWaalsContact O-CD1 3.24Å; H252-Y289 HydrophobicContact CB-CD1 3.73Å; H252-Y289 HydrophobicContact CB-CE1 4.42Å; H252-Y289 HydrophobicContact CB-CG 3.92Å; H252-Y289 AromaticContact CD2-CD1 3.44Å; H252-Y289 VanDerWaalsContact CD2-CD1 3.44Å; H252-Y289 WeakPolarHBondContact CD2-CD1 3.12Å; H252-Y289 AromaticContact CD2-CE1 3.28Å; H252-Y289 WeakPolarHBondContact CD2-CE1 3.25Å; H252-Y289 AromaticContact CE1-CE1 3.58Å; H252-Y289 AromaticContact CE1-CZ 3.51Å; H252-Y289 AromaticContact CG-CD1 3.36Å; H252-Y289 AromaticContact CG-CE1 3.57Å; H252-Y289 AromaticContact CG-CG 3.8Å; H252-Y289 AromaticContact ND1-CD1 3.81Å; H252-Y289 AromaticContact ND1-CE1 3.74Å; H252-Y289 AromaticContact ND1-CG 3.99Å; H252-Y289 AromaticContact ND1-CZ 3.83Å; H252-Y289 AromaticContact NE2-CD1 3.93Å; H252-Y289 AromaticContact NE2-CE1 3.28Å; H252-Y289 VanDerWaalsContact NE2-CE1 3.28Å; H252-Y289 WeakPolarHBondContact NE2-CE1 3.31Å; H252-Y289 AromaticContact NE2-CZ 3.63Å |
| 253 | K | 94 | Very high | 91 | Very high | 108 Ų | 108 | 61.1 Ų | 61.1 | 47% | 0.47 | 29% | 0.292 | S | S | . | . | trans | -64.8 | 136.8 | 177.5 | -68.1 | 176.3 | -177.4 | -177.8 | 0 | 110.8 | T242 I244 E250 | T242-K253 HydrophobicContact CG2-CB 3.66Å; T242-K253 HydrophobicContact CG2-CD 3.77Å; T242-K253 HydrophobicContact CG2-CG 4.04Å; I244-K253 HydrophobicContact CD1-CG 4.47Å; I244-K253 HydrophobicContact CG1-CG 3.98Å; E250-K253 WeakPolarHBondContact O-CE 3.49Å | ||
| 254 | W | 95.8 | Very high | 90.9 | Very high | 1 Ų | 1 | 66.5 Ų | 66.5 | 0% | 0.004 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 149 | 173.5 | -65.1 | 7.5 | 0 | 0 | 0 | 108.9 | F218 T242 F243 P245 H252 T287 Y288 L294 F295 | F218-W254 HydrophobicContact CD1-CH2 4.3Å; F218-W254 AromaticContact CD1-CZ3 3.77Å; F218-W254 HydrophobicContact CD1-CZ3 3.77Å; F218-W254 HydrophobicContact CD2-CE3 4.42Å; F218-W254 AromaticContact CD2-CZ3 3.88Å; F218-W254 HydrophobicContact CD2-CZ3 3.88Å; F218-W254 HydrophobicContact CE1-CE3 4.17Å; F218-W254 AromaticContact CE1-CH2 3.94Å; F218-W254 HydrophobicContact CE1-CH2 3.94Å; F218-W254 AromaticContact CE1-CZ3 3.27Å; F218-W254 HydrophobicContact CE1-CZ3 3.27Å; F218-W254 AromaticContact CE2-CE3 3.65Å; F218-W254 HydrophobicContact CE2-CE3 3.65Å; F218-W254 AromaticContact CE2-CZ3 3.39Å; F218-W254 HydrophobicContact CE2-CZ3 3.39Å; F218-W254 HydrophobicContact CG-CZ3 4.06Å; F218-W254 AromaticContact CZ-CE3 3.51Å; F218-W254 HydrophobicContact CZ-CE3 3.51Å; F218-W254 HydrophobicContact CZ-CH2 4.14Å; F218-W254 AromaticContact CZ-CZ3 3.06Å; F218-W254 HydrophobicContact CZ-CZ3 3.06Å; T242-W254 CarbonylContact C-O 3.5Å; T242-W254 VanDerWaalsContact CA-O 3.31Å; T242-W254 WeakPolarHBondContact CA-O 3.16Å; F243-W254 HydrophobicContact CD1-CB 4.39Å; F243-W254 HydrophobicContact CD2-CB 4.18Å; F243-W254 HydrophobicContact CE1-CB 4.03Å; F243-W254 HydrophobicContact CE2-CB 3.82Å; F243-W254 HydrophobicContact CE2-CD2 4.33Å; F243-W254 AromaticContact CE2-CE3 3.66Å; F243-W254 HydrophobicContact CE2-CE3 3.66Å; F243-W254 HydrophobicContact CE2-CG 4.44Å; F243-W254 HydrophobicContact CG-CB 4.47Å; F243-W254 HydrophobicContact CZ-CB 3.74Å; F243-W254 HydrophobicContact CZ-CE3 4.13Å; F243-W254 PolarHBondContact N-O 2.71Å; F243-W254 PolarHBondContact O-N 3.09Å; P245-W254 HydrophobicContact CB-CD2 4.43Å; P245-W254 HydrophobicContact CB-CE3 4.2Å; P245-W254 HydrophobicContact CB-CH2 3.9Å; P245-W254 HydrophobicContact CB-CZ2 4.18Å; P245-W254 HydrophobicContact CB-CZ3 3.83Å; P245-W254 HydrophobicContact CG-CD2 3.88Å; P245-W254 HydrophobicContact CG-CE3 4.15Å; P245-W254 HydrophobicContact CG-CG 4.5Å; P245-W254 HydrophobicContact CG-CH2 3.89Å; P245-W254 HydrophobicContact CG-CZ2 3.64Å; P245-W254 HydrophobicContact CG-CZ3 4.06Å; H252-W254 VanDerWaalsContact O-CD1 3.24Å; W254-T287 CarbonylContact C-O 3.59Å; W254-T287 VanDerWaalsContact CA-O 3.31Å; W254-T287 WeakPolarHBondContact CA-O 3.34Å; W254-Y288 HydrophobicContact CZ2-CD2 4.47Å; W254-L294 HydrophobicContact CH2-CD1 4.01Å; W254-L294 HydrophobicContact CZ2-CD1 3.86Å; W254-F295 HydrophobicContact CH2-CE2 4.09Å; W254-F295 AromaticContact CH2-CZ 3.88Å; W254-F295 HydrophobicContact CH2-CZ 3.88Å; W254-F295 AromaticContact CZ2-CE2 3.86Å; W254-F295 HydrophobicContact CZ2-CE2 3.86Å; W254-F295 HydrophobicContact CZ2-CZ 4.11Å |
| 255 | T | 97.7 | Very high | 90.7 | Very high | 25 Ų | 25 | 66.7 Ų | 66.7 | 15% | 0.153 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 125.1 | -176.4 | -52.3 | 0 | 0 | 0 | 0 | 110 | S240 L241 V257 L286 T287 | S240-T255 WeakPolarHBondContact OG-CG2 3.37Å; L241-T255 CarbonylContact O-C 3.59Å; L241-T255 VanDerWaalsContact O-CA 3.24Å; L241-T255 WeakPolarHBondContact O-CA 3.35Å; T255-V257 HydrophobicContact CG2-CG2 3.96Å; T255-L286 WeakPolarHBondContact O-CA 3.41Å; T255-T287 PolarHBondContact N-O 3.28Å; T255-T287 PolarHBondContact O-N 3.28Å |
| 256 | L | 98.4 | Very high | 90.6 | Very high | 1 Ų | 1 | 71.8 Ų | 71.8 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 122.6 | 169.1 | 174.9 | 69.2 | 0 | 0 | 0 | 108.6 | I200 F202 S240 L241 F243 L258 I284 T285 | I200-L256 HydrophobicContact CD1-CD2 4.02Å; F202-L256 HydrophobicContact CE1-CD1 4.08Å; F202-L256 HydrophobicContact CZ-CB 4.43Å; F202-L256 HydrophobicContact CZ-CD1 3.95Å; F202-L256 HydrophobicContact CZ-CD2 3.99Å; F202-L256 HydrophobicContact CZ-CG 4.33Å; S240-L256 WeakPolarHBondContact CA-O 3.36Å; L241-L256 HydrophobicContact CB-CB 4.38Å; L241-L256 HydrophobicContact CD1-CD2 4.32Å; L241-L256 PolarHBondContact N-O 3.08Å; L241-L256 PolarHBondContact O-N 2.94Å; F243-L256 HydrophobicContact CE1-CB 4.07Å; L256-L258 HydrophobicContact CD1-CD2 4.19Å; L256-L258 HydrophobicContact CD2-CD2 4.31Å; L256-L258 HydrophobicContact CD2-CG 4.41Å; L256-L258 HydrophobicContact CG-CD2 4.22Å; L256-L258 HydrophobicContact CG-CG 4.37Å; L256-I284 HydrophobicContact CD1-CG2 3.98Å; L256-T285 CarbonylContact C-O 3.46Å; L256-T285 WeakPolarHBondContact CA-O 3.17Å |
| 257 | V | 98.6 | Very high | 90.6 | Very high | 25 Ų | 25 | 73.9 Ų | 73.9 | 15% | 0.152 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 124 | 175.6 | -177.8 | 0 | 0 | 0 | 0 | 109.3 | K238 L239 T255 I284 T285 | K238-V257 HydrophobicContact CD-CG1 4.15Å; K238-V257 VanDerWaalsContact CE-CG1 3.45Å; K238-V257 HydrophobicContact CG-CG1 3.85Å; L239-V257 CarbonylContact O-C 3.51Å; L239-V257 WeakPolarHBondContact O-CA 3.01Å; T255-V257 HydrophobicContact CG2-CG2 3.96Å; V257-I284 WeakPolarHBondContact O-CA 3.49Å; V257-T285 PolarHBondContact N-O 3.49Å; V257-T285 PolarHBondContact O-N 3.08Å |
| 258 | L | 98.6 | Very high | 90.8 | Very high | 1 Ų | 1 | 76.6 Ų | 76.6 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 123.4 | 172.1 | -54.1 | 176.4 | 0 | 0 | 0 | 108.5 | F196 K238 L239 L256 F260 L281 I284 | F196-L258 HydrophobicContact CD2-CD1 4.1Å; F196-L258 HydrophobicContact CE1-CD1 4.18Å; F196-L258 HydrophobicContact CE2-CD1 3.6Å; F196-L258 HydrophobicContact CZ-CD1 3.66Å; K238-L258 WeakPolarHBondContact CA-O 3.1Å; L239-L258 HydrophobicContact CB-CB 4.43Å; L239-L258 HydrophobicContact CD2-CD1 4.19Å; L239-L258 PolarHBondContact N-O 2.93Å; L239-L258 PolarHBondContact O-N 3.08Å; L256-L258 HydrophobicContact CD1-CD2 4.19Å; L256-L258 HydrophobicContact CD2-CD2 4.31Å; L256-L258 HydrophobicContact CD2-CG 4.41Å; L256-L258 HydrophobicContact CG-CD2 4.22Å; L256-L258 HydrophobicContact CG-CG 4.37Å; L258-F260 HydrophobicContact CB-CD2 4.5Å; L258-F260 HydrophobicContact CB-CE2 3.71Å; L258-F260 HydrophobicContact CB-CZ 4.41Å; L258-L281 HydrophobicContact CB-CD1 4.18Å; L258-I284 HydrophobicContact CD2-CB 4.37Å; L258-I284 HydrophobicContact CD2-CD1 4.38Å; L258-I284 HydrophobicContact CD2-CG1 3.92Å; L258-I284 HydrophobicContact CD2-CG2 3.93Å |
| 259 | L | 98.6 | Very high | 90.8 | Very high | 48 Ų | 48 | 70 Ų | 70 | 25% | 0.251 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 119.6 | 179.1 | -177.5 | 66 | 0 | 0 | 0 | 110.5 | Y236 K238 D282 S283 | Y236-L259 HydrophobicContact CD2-CD1 4.04Å; K238-L259 HydrophobicContact CB-CD1 4.13Å; L259-D282 PolarHBondContact O-N 2.7Å; L259-S283 PolarHBondContact N-O 3.36Å; L259-S283 PolarHBondContact O-N 3.13Å |
| 260 | F | 98.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 129.9 | 175.8 | -60.8 | -99.6 | 0 | 0 | 0 | 109.8 | F194 F196 Y236 T237 L258 Y279 T280 L281 F314 V351 F354 | F194-F260 HydrophobicContact CE2-CD1 4.36Å; F194-F260 AromaticContact CE2-CD2 3.63Å; F194-F260 HydrophobicContact CE2-CD2 3.63Å; F194-F260 HydrophobicContact CE2-CE1 4.18Å; F194-F260 AromaticContact CE2-CE2 3.45Å; F194-F260 HydrophobicContact CE2-CE2 3.45Å; F194-F260 VanDerWaalsContact CE2-CE2 3.45Å; F194-F260 HydrophobicContact CE2-CG 4.1Å; F194-F260 AromaticContact CE2-CZ 3.75Å; F194-F260 HydrophobicContact CE2-CZ 3.75Å; F194-F260 AromaticContact CZ-CD2 3.93Å; F194-F260 HydrophobicContact CZ-CD2 3.93Å; F194-F260 AromaticContact CZ-CE2 3.34Å; F194-F260 HydrophobicContact CZ-CE2 3.34Å; F194-F260 AromaticContact CZ-CZ 3.71Å; F194-F260 HydrophobicContact CZ-CZ 3.71Å; F196-F260 HydrophobicContact CD2-CZ 4.41Å; Y236-F260 CarbonylContact C-O 3.54Å; Y236-F260 WeakPolarHBondContact CA-O 3.34Å; Y236-F260 WeakPolarHBondContact CB-O 3.3Å; T237-F260 PolarHBondContact N-O 2.81Å; T237-F260 PolarHBondContact O-N 3.47Å; L258-F260 HydrophobicContact CB-CD2 4.5Å; L258-F260 HydrophobicContact CB-CE2 3.71Å; L258-F260 HydrophobicContact CB-CZ 4.41Å; F260-Y279 HydrophobicContact CD1-CD2 4.36Å; F260-T280 CarbonylContact C-O 3.52Å; F260-T280 WeakPolarHBondContact CA-O 3.13Å; F260-L281 HydrophobicContact CD1-CB 4.09Å; F260-L281 HydrophobicContact CD1-CD1 4.32Å; F260-L281 HydrophobicContact CD2-CD1 4.38Å; F260-L281 HydrophobicContact CE1-CB 3.88Å; F260-L281 HydrophobicContact CE1-CD1 4Å; F260-L281 HydrophobicContact CE1-CG 4.35Å; F260-L281 HydrophobicContact CE2-CD1 4.03Å; F260-L281 HydrophobicContact CZ-CD1 3.83Å; F260-L281 HydrophobicContact CZ-CD2 4.49Å; F260-F314 HydrophobicContact CE1-CE2 4.23Å; F260-F314 AromaticContact CE1-CZ 3.88Å; F260-F314 HydrophobicContact CE1-CZ 3.88Å; F260-V351 HydrophobicContact CE1-CG2 3.67Å; F260-V351 HydrophobicContact CZ-CG2 3.78Å; F260-F354 HydrophobicContact CB-CE2 4.31Å |
| 261 | N | 98.2 | Very high | 90.7 | Very high | 47 Ų | 47 | 72.3 Ų | 72.3 | 25% | 0.251 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 143 | 175.3 | -70.7 | -34.6 | 0 | 0 | 0 | 110.2 | Y236 Y279 T280 D282 | Y236-N261 WeakPolarHBondContact CB-OD1 2.98Å; N261-Y279 CarbonylContact O-C 3.6Å; N261-Y279 WeakPolarHBondContact O-CA 3.33Å; N261-T280 PolarHBondContact N-O 3.42Å; N261-T280 PolarHBondContact O-N 3.4Å; N261-D282 WeakPolarHBondContact CB-OD2 3.38Å; N261-D282 PolarHBondContact ND2-OD2 3.4Å |
| 262 | R | 97.8 | Very high | 89.9 | Confident | 85 Ų | 85 | 69.1 Ų | 69.1 | 32% | 0.321 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 119.5 | 172.3 | -175.6 | -176 | 178.5 | 175.9 | -0.5 | 108.7 | E234 H235 S277 I278 V318 F354 | E234-R262 WeakPolarHBondContact O-CD 3.44Å; H235-R262 WeakPolarHBondContact O-CB 3Å; H235-R262 PolarHBondContact O-N 3.26Å; R262-S277 PolarHBondContact NE-OG 2.8Å; R262-S277 PolarHBondContact NH2-OG 2.94Å; R262-I278 CarbonylContact C-O 3.57Å; R262-I278 WeakPolarHBondContact CA-O 3.13Å; R262-V318 HydrophobicContact CG-CG2 4.2Å; R262-F354 HydrophobicContact CB-CD1 4.11Å; R262-F354 HydrophobicContact CB-CD2 4.19Å; R262-F354 HydrophobicContact CB-CE1 3.75Å; R262-F354 HydrophobicContact CB-CE2 3.87Å; R262-F354 HydrophobicContact CB-CG 4.31Å; R262-F354 HydrophobicContact CB-CZ 3.62Å |
| 263 | M | 95.7 | Very high | 89.3 | Confident | 63 Ų | 63 | 71.1 Ų | 71.1 | 31% | 0.31 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 124.9 | 169.8 | -67 | 176.1 | -67.5 | 0 | 0 | 109.4 | S277 I278 T280 R315 | M263-S277 WeakPolarHBondContact O-CA 3.39Å; M263-S277 WeakPolarHBondContact O-CB 3.41Å; M263-I278 HydrophobicContact CE-CB 4.25Å; M263-I278 HydrophobicContact CE-CG2 3.89Å; M263-I278 PolarHBondContact N-O 3.08Å; M263-I278 PolarHBondContact O-N 3.32Å; M263-T280 HydrophobicContact CE-CG2 3.32Å; M263-R315 VanDerWaalsContact CE-NH2 3.32Å; M263-R315 PolarHBondContact SD-NH2 3.04Å |
| 264 | E | 93.1 | Very high | 88.4 | Confident | 119 Ų | 119 | 73.9 Ų | 73.9 | 56% | 0.556 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -69.4 | 145.9 | 169.2 | -71.8 | -174.2 | -166.9 | 0 | 0 | 110.5 | H235 N266 | H235-E264 IonicContact CE1-OE1 2.71Å; E264-N266 PolarHBondContact O-N 3.34Å |
| 265 | P | 88.5 | Confident | 87.6 | Confident | 38 Ų | 38 | 77.9 Ų | 77.9 | 25% | 0.247 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 133.5 | 174.1 | 28.5 | -35.6 | 0 | 0 | 0 | 109.2 | K267 V275 | P265-K267 PolarHBondContact O-N 2.99Å; P265-V275 HydrophobicContact CB-CB 3.73Å; P265-V275 HydrophobicContact CB-CG1 3.63Å; P265-V275 WeakPolarHBondContact CB-O 3.44Å; P265-V275 WeakPolarHBondContact CG-O 3.37Å |
| 266 | N | 84.2 | Confident | 87.3 | Confident | 121 Ų | 121 | 79.5 Ų | 79.5 | 65% | 0.647 | 44% | 0.442 | S | S | * | . | trans | -67.4 | 103.3 | 176.1 | -173.2 | -2.7 | 0 | 0 | 0 | 108.9 | E264 T268 | E264-N266 PolarHBondContact O-N 3.34Å; N266-T268 PolarHBondContact ND2-OG1 3.24Å; N266-T268 VanDerWaalsContact ND2-OG1 3.11Å; N266-T268 PolarHBondContact O-N 2.92Å; N266-T268 WeakPolarHBondContact OD1-CB 3.4Å; N266-T268 VanDerWaalsContact OD1-CG2 3.3Å; N266-T268 WeakPolarHBondContact OD1-CG2 3.35Å; N266-T268 PolarHBondContact OD1-N 2.86Å; N266-T268 PolarHBondContact OD1-OG1 2.7Å | ||
| 267 | K | 80.9 | Confident | 87.1 | Confident | 178 Ų | 178 | 80.2 Ų | 80.2 | 77% | 0.774 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | 2.2 | -177 | -64.3 | -178.3 | -177.7 | 171.7 | 0 | 114.5 | P265 S269 | P265-K267 PolarHBondContact O-N 2.99Å; K267-S269 VanDerWaalsContact C-N 3.32Å |
| 268 | T | 78.9 | Confident | 87 | Confident | 110 Ų | 110 | 81.7 Ų | 81.7 | 68% | 0.675 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -11.7 | -177 | 53.5 | 0 | 0 | 0 | 0 | 114.1 | N266 | N266-T268 PolarHBondContact ND2-OG1 3.24Å; N266-T268 VanDerWaalsContact ND2-OG1 3.11Å; N266-T268 PolarHBondContact O-N 2.92Å; N266-T268 WeakPolarHBondContact OD1-CB 3.4Å; N266-T268 VanDerWaalsContact OD1-CG2 3.3Å; N266-T268 WeakPolarHBondContact OD1-CG2 3.35Å; N266-T268 PolarHBondContact OD1-N 2.86Å; N266-T268 PolarHBondContact OD1-OG1 2.7Å |
| 269 | S | 72.4 | Confident | 87 | Confident | 74 Ų | 74 | 81.6 Ų | 81.6 | 52% | 0.517 | 45% | 0.453 | S | S | . | . | trans | -83.4 | 117.2 | 170.4 | -172.3 | 0 | 0 | 0 | 0 | 109.6 | K267 D271 | K267-S269 VanDerWaalsContact C-N 3.32Å; S269-D271 PolarHBondContact O-N 2.56Å; S269-D271 VanDerWaalsContact OG-CB 3.27Å; S269-D271 WeakPolarHBondContact OG-CB 3.47Å; S269-D271 PolarHBondContact OG-N 2.97Å | ||
| 270 | N | 77.9 | Confident | 86.9 | Confident | 169 Ų | 169 | 79.4 Ų | 79.4 | 90% | 0.904 | 44% | 0.441 | S | S | * | . | trans | -65.1 | 5.7 | 169.7 | -71.6 | -38.8 | 0 | 0 | 0 | 113.1 | A272 | N270-A272 PolarHBondContact O-N 2.97Š| ||
| 271 | D | 78.7 | Confident | 86.9 | Confident | 101 Ų | 101 | 79.4 Ų | 79.4 | 54% | 0.54 | 44% | 0.442 | S | S | . | . | trans | -75.3 | 107.3 | 176.9 | -156.9 | -3.8 | 0 | 0 | 0 | 109.3 | S269 T273 | S269-D271 PolarHBondContact O-N 2.56Å; S269-D271 VanDerWaalsContact OG-CB 3.27Å; S269-D271 WeakPolarHBondContact OG-CB 3.47Å; S269-D271 PolarHBondContact OG-N 2.97Å; D271-T273 PolarHBondContact O-N 2.93Å | ||
| 272 | A | 70.9 | Confident | 86.8 | Confident | 97 Ų | 97 | 79.2 Ų | 79.2 | 80% | 0.802 | 44% | 0.44 | S | S | * | . | trans | -67.2 | 12 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | N270 N274 | N270-A272 PolarHBondContact O-N 2.97Å; A272-N274 PolarHBondContact O-N 2.78Å | ||
| 273 | T | 78.6 | Confident | 86.8 | Confident | 83 Ų | 83 | 76.1 Ų | 76.1 | 51% | 0.509 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -65 | 124.5 | 168.2 | 54.9 | 0 | 0 | 0 | 0 | 109.1 | D271 V275 | D271-T273 PolarHBondContact O-N 2.93Å; T273-V275 VanDerWaalsContact C-N 3.26Å; T273-V275 WeakPolarHBondContact O-CG2 3.19Å; T273-V275 PolarHBondContact O-N 2.79Å |
| 274 | N | 74.4 | Confident | 86.9 | Confident | 166 Ų | 166 | 73.2 Ų | 73.2 | 89% | 0.888 | 42% | 0.417 | S | S | * | . | trans | -59.4 | 84.4 | 176.6 | -69.6 | -44.7 | 0 | 0 | 0 | 110.8 | A272 S276 | A272-N274 PolarHBondContact O-N 2.78Å; N274-S276 PolarHBondContact O-N 3.27Å; N274-S276 VanDerWaalsContact O-N 3.12Å | ||
| 275 | V | 79.1 | Confident | 87.1 | Confident | 84 Ų | 84 | 69.4 Ų | 69.4 | 51% | 0.509 | 40% | 0.402 | S | S | . | . | trans | -72.8 | 107.3 | 175.7 | -170.9 | 0 | 0 | 0 | 0 | 107.2 | P265 T273 | P265-V275 HydrophobicContact CB-CB 3.73Å; P265-V275 HydrophobicContact CB-CG1 3.63Å; P265-V275 WeakPolarHBondContact CB-O 3.44Å; P265-V275 WeakPolarHBondContact CG-O 3.37Å; T273-V275 VanDerWaalsContact C-N 3.26Å; T273-V275 WeakPolarHBondContact O-CG2 3.19Å; T273-V275 PolarHBondContact O-N 2.79Å | ||
| 276 | S | 90.2 | Very high | 87.6 | Confident | 60 Ų | 60 | 67.6 Ų | 67.6 | 42% | 0.42 | 39% | 0.391 | S | S | . | . | trans | -65.8 | 148.1 | 172.4 | 45.3 | 0 | 0 | 0 | 0 | 110.1 | N274 | N274-S276 PolarHBondContact O-N 3.27Å; N274-S276 VanDerWaalsContact O-N 3.12Å | ||
| 277 | S | 94.8 | Very high | 88.2 | Confident | 16 Ų | 16 | 63.3 Ų | 63.3 | 11% | 0.112 | 37% | 0.369 | C | S | . | . | trans | -55 | 150.4 | 168 | -52.9 | 0 | 0 | 0 | 0 | 109.8 | R262 M263 V318 | R262-S277 PolarHBondContact NE-OG 2.8Å; R262-S277 PolarHBondContact NH2-OG 2.94Å; M263-S277 WeakPolarHBondContact O-CA 3.39Å; M263-S277 WeakPolarHBondContact O-CB 3.41Å; S277-V318 WeakPolarHBondContact O-CB 3.3Å; S277-V318 WeakPolarHBondContact O-CG2 3.14Å; S277-V318 PolarHBondContact O-N 2.74Å | ||
| 278 | I | 96.7 | Very high | 88.9 | Confident | 55 Ų | 55 | 54.9 Ų | 54.9 | 28% | 0.282 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 143 | 177.5 | -64.6 | 171.8 | 0 | 0 | 0 | 107.6 | R262 M263 T280 R315 I316 | R262-I278 CarbonylContact C-O 3.57Å; R262-I278 WeakPolarHBondContact CA-O 3.13Å; M263-I278 HydrophobicContact CE-CB 4.25Å; M263-I278 HydrophobicContact CE-CG2 3.89Å; M263-I278 PolarHBondContact N-O 3.08Å; M263-I278 PolarHBondContact O-N 3.32Å; I278-T280 HydrophobicContact CG2-CG2 4.43Å; I278-R315 HydrophobicContact CG2-CB 3.87Å; I278-I316 CarbonylContact C-O 3.5Å; I278-I316 WeakPolarHBondContact CA-O 2.87Å; I278-I316 WeakPolarHBondContact CG2-O 3.26Å |
| 279 | Y | 98 | Very high | 89.7 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 152.6 | 166.1 | 68.8 | -88.7 | 0 | 0 | 0 | 112.3 | F260 N261 F314 R315 I316 V318 S320 V351 A353 F354 | F260-Y279 HydrophobicContact CD1-CD2 4.36Å; N261-Y279 CarbonylContact O-C 3.6Å; N261-Y279 WeakPolarHBondContact O-CA 3.33Å; Y279-F314 HydrophobicContact CE2-CE2 4.34Å; Y279-R315 WeakPolarHBondContact O-CA 3.07Å; Y279-I316 HydrophobicContact CD1-CB 4.24Å; Y279-I316 VanDerWaalsContact CD1-O 3.26Å; Y279-I316 WeakPolarHBondContact CD1-O 3.35Å; Y279-I316 HydrophobicContact CD2-CB 4.46Å; Y279-I316 HydrophobicContact CE1-CB 3.7Å; Y279-I316 HydrophobicContact CE1-CG2 3.68Å; Y279-I316 HydrophobicContact CE2-CB 3.95Å; Y279-I316 HydrophobicContact CE2-CG1 4.27Å; Y279-I316 HydrophobicContact CE2-CG2 4.47Å; Y279-I316 PolarHBondContact N-O 2.9Å; Y279-I316 PolarHBondContact O-N 2.9Å; Y279-I316 WeakPolarHBondContact OH-CG2 3.45Å; Y279-V318 HydrophobicContact CD1-CG2 3.99Å; Y279-S320 WeakPolarHBondContact CE1-O 3.06Å; Y279-S320 PolarHBondContact OH-O 2.96Å; Y279-V351 PolarHBondContact OH-O 2.91Å; Y279-A353 HydrophobicContact CD2-CB 3.86Å; Y279-A353 HydrophobicContact CE2-CB 4Å; Y279-A353 HydrophobicContact CG-CB 4.19Å; Y279-F354 VanDerWaalsContact CB-CE2 3.46Å; Y279-F354 HydrophobicContact CD1-CD2 4.4Å; Y279-F354 HydrophobicContact CG-CD2 4.05Å; Y279-F354 HydrophobicContact CG-CE2 4.21Å |
| 280 | T | 97.7 | Very high | 90.7 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 148.1 | -176.6 | 49.2 | 0 | 0 | 0 | 0 | 110.8 | F260 N261 M263 I278 D282 M312 F314 R315 | F260-T280 CarbonylContact C-O 3.52Å; F260-T280 WeakPolarHBondContact CA-O 3.13Å; N261-T280 PolarHBondContact N-O 3.42Å; N261-T280 PolarHBondContact O-N 3.4Å; M263-T280 HydrophobicContact CE-CG2 3.32Å; I278-T280 HydrophobicContact CG2-CG2 4.43Å; T280-D282 WeakPolarHBondContact CB-OD1 3.01Å; T280-D282 VanDerWaalsContact OG1-CG 3.31Å; T280-D282 PolarHBondContact OG1-OD1 3.45Å; T280-M312 HydrophobicContact CG2-CG 4.06Å; T280-M312 HydrophobicContact CG2-SD 3.72Å; T280-F314 WeakPolarHBondContact CA-O 3.5Å; T280-F314 WeakPolarHBondContact CG2-O 3.5Å; T280-R315 HydrophobicContact CG2-CB 3.88Å; T280-R315 HydrophobicContact CG2-CG 3.73Å |
| 281 | L | 98 | Very high | 91.4 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 103.3 | 165.4 | 175 | 57.1 | 0 | 0 | 0 | 108 | L258 F260 I284 M312 V313 F314 | L258-L281 HydrophobicContact CB-CD1 4.18Å; F260-L281 HydrophobicContact CD1-CB 4.09Å; F260-L281 HydrophobicContact CD1-CD1 4.32Å; F260-L281 HydrophobicContact CD2-CD1 4.38Å; F260-L281 HydrophobicContact CE1-CB 3.88Å; F260-L281 HydrophobicContact CE1-CD1 4Å; F260-L281 HydrophobicContact CE1-CG 4.35Å; F260-L281 HydrophobicContact CE2-CD1 4.03Å; F260-L281 HydrophobicContact CZ-CD1 3.83Å; F260-L281 HydrophobicContact CZ-CD2 4.49Å; L281-I284 HydrophobicContact CD1-CG1 4.16Å; L281-I284 HydrophobicContact CD2-CD1 3.97Å; L281-I284 HydrophobicContact CD2-CG1 4.3Å; L281-I284 HydrophobicContact CG-CD1 4.38Å; L281-I284 HydrophobicContact CG-CG1 4.27Å; L281-M312 WeakPolarHBondContact O-CA 3.44Å; L281-V313 HydrophobicContact CB-CB 4.24Å; L281-V313 HydrophobicContact CB-CG2 4.38Å; L281-V313 HydrophobicContact CD2-CB 4.13Å; L281-V313 HydrophobicContact CD2-CG2 3.91Å; L281-V313 HydrophobicContact CG-CB 4.29Å; L281-V313 HydrophobicContact CG-CG2 3.95Å; L281-V313 PolarHBondContact O-N 2.67Å; L281-F314 HydrophobicContact CB-CD1 4.47Å; L281-F314 HydrophobicContact CB-CE1 3.86Å; L281-F314 HydrophobicContact CB-CE2 3.97Å; L281-F314 HydrophobicContact CB-CZ 3.57Å; L281-F314 HydrophobicContact CD2-CE1 3.73Å; L281-F314 HydrophobicContact CD2-CZ 3.98Å; L281-F314 HydrophobicContact CG-CE1 4.47Å; L281-F314 HydrophobicContact CG-CZ 4.43Å |
| 282 | D | 96.5 | Very high | 92.1 | Very high | 42 Ų | 42 | 42.9 Ų | 42.9 | 23% | 0.225 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | -36 | -168 | -79.1 | 4.8 | 0 | 0 | 0 | 113.2 | L259 N261 T280 N310 | L259-D282 PolarHBondContact O-N 2.7Å; N261-D282 WeakPolarHBondContact CB-OD2 3.38Å; N261-D282 PolarHBondContact ND2-OD2 3.4Å; T280-D282 WeakPolarHBondContact CB-OD1 3.01Å; T280-D282 VanDerWaalsContact OG1-CG 3.31Å; T280-D282 PolarHBondContact OG1-OD1 3.45Å; D282-N310 CarbonylContact O-C 3.57Å; D282-N310 VanDerWaalsContact O-CA 3.26Å; D282-N310 WeakPolarHBondContact O-CA 3.46Å |
| 283 | S | 97.5 | Very high | 93.2 | Very high | 20 Ų | 20 | 44.8 Ų | 44.8 | 14% | 0.14 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 135.9 | -178.4 | -168.6 | 0 | 0 | 0 | 0 | 112.1 | L259 S309 N310 | L259-S283 PolarHBondContact N-O 3.36Å; L259-S283 PolarHBondContact O-N 3.13Å; S283-S309 WeakPolarHBondContact CA-O 3.29Å; S283-N310 PolarHBondContact OG-OD1 2.85Å |
| 284 | I | 98.3 | Very high | 93.8 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 123.1 | 173 | -57.8 | 179.5 | 0 | 0 | 0 | 106.7 | L256 V257 L258 L281 S308 S309 V313 I330 L332 L344 | L256-I284 HydrophobicContact CD1-CG2 3.98Å; V257-I284 WeakPolarHBondContact O-CA 3.49Å; L258-I284 HydrophobicContact CD2-CB 4.37Å; L258-I284 HydrophobicContact CD2-CD1 4.38Å; L258-I284 HydrophobicContact CD2-CG1 3.92Å; L258-I284 HydrophobicContact CD2-CG2 3.93Å; L281-I284 HydrophobicContact CD1-CG1 4.16Å; L281-I284 HydrophobicContact CD2-CD1 3.97Å; L281-I284 HydrophobicContact CD2-CG1 4.3Å; L281-I284 HydrophobicContact CG-CD1 4.38Å; L281-I284 HydrophobicContact CG-CG1 4.27Å; I284-S308 CarbonylContact O-C 3.55Å; I284-S308 WeakPolarHBondContact O-CA 3.29Å; I284-S308 WeakPolarHBondContact O-CB 3.33Å; I284-S309 PolarHBondContact N-O 2.78Å; I284-S309 PolarHBondContact O-N 3.34Å; I284-V313 HydrophobicContact CD1-CG2 4.1Å; I284-I330 HydrophobicContact CD1-CD1 3.57Å; I284-I330 HydrophobicContact CD1-CG2 4.33Å; I284-L332 HydrophobicContact CB-CD2 3.96Å; I284-L332 HydrophobicContact CG2-CD1 4.2Å; I284-L332 HydrophobicContact CG2-CD2 3.77Å; I284-L344 HydrophobicContact CD1-CD2 3.83Å; I284-L344 HydrophobicContact CG2-CD2 3.8Å |
| 285 | T | 98 | Very high | 94.7 | Very high | 39 Ų | 39 | 34.2 Ų | 34.2 | 24% | 0.239 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 129 | 177.2 | -59.9 | 0 | 0 | 0 | 0 | 109.8 | L256 V257 V307 | L256-T285 CarbonylContact C-O 3.46Å; L256-T285 WeakPolarHBondContact CA-O 3.17Å; V257-T285 PolarHBondContact N-O 3.49Å; V257-T285 PolarHBondContact O-N 3.08Å; T285-V307 WeakPolarHBondContact CA-O 3.3Å |
| 286 | L | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 123 | 171.6 | 175.6 | 73.3 | 0 | 0 | 0 | 108.9 | F202 F243 T255 Y288 N306 V307 L332 C342 | F202-L286 HydrophobicContact CD1-CD1 4.47Å; F202-L286 HydrophobicContact CD1-CD2 3.68Å; F202-L286 HydrophobicContact CE1-CB 4.47Å; F202-L286 HydrophobicContact CE1-CD1 3.89Å; F202-L286 HydrophobicContact CE1-CD2 3.82Å; F202-L286 HydrophobicContact CE1-CG 4.27Å; F202-L286 HydrophobicContact CG-CD2 4.38Å; F202-L286 HydrophobicContact CZ-CD1 3.98Å; F243-L286 HydrophobicContact CE1-CD1 4.32Å; F243-L286 HydrophobicContact CZ-CD1 3.95Å; T255-L286 WeakPolarHBondContact O-CA 3.41Å; L286-Y288 HydrophobicContact CD2-CD1 3.92Å; L286-Y288 HydrophobicContact CG-CD1 4.05Å; L286-N306 WeakPolarHBondContact O-CA 3.34Å; L286-V307 HydrophobicContact CB-CG2 3.78Å; L286-V307 HydrophobicContact CD2-CG2 4.18Å; L286-V307 HydrophobicContact CG-CG2 4.35Å; L286-V307 PolarHBondContact N-O 2.98Å; L286-V307 PolarHBondContact O-N 3.22Å; L286-L332 HydrophobicContact CB-CD1 3.92Å; L286-C342 HydrophobicContact CD2-CB 4.45Å |
| 287 | T | 97.2 | Very high | 95.7 | Very high | 32 Ų | 32 | 34.6 Ų | 34.6 | 20% | 0.196 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 119.6 | 170.2 | -60.2 | 0 | 0 | 0 | 0 | 108.3 | W254 T255 Y304 V305 N306 | W254-T287 CarbonylContact C-O 3.59Å; W254-T287 VanDerWaalsContact CA-O 3.31Å; W254-T287 WeakPolarHBondContact CA-O 3.34Å; T255-T287 PolarHBondContact N-O 3.28Å; T255-T287 PolarHBondContact O-N 3.28Å; T287-Y304 HydrophobicContact CG2-CD1 3.95Å; T287-V305 WeakPolarHBondContact CA-O 3.37Å; T287-N306 WeakPolarHBondContact CG2-OD1 3.27Å; T287-N306 PolarHBondContact OG1-OD1 2.02Å; T287-N306 VanDerWaalsContact OG1-OD1 3.06Å |
| 288 | Y | 95.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 153.4 | -177.9 | 67.7 | -86 | 0 | 0 | 0 | 111.8 | V204 W254 L286 M290 F295 Y304 V305 V307 N340 | V204-Y288 HydrophobicContact CG1-CD2 4.48Å; V204-Y288 HydrophobicContact CG1-CE1 4.44Å; V204-Y288 HydrophobicContact CG1-CE2 3.59Å; V204-Y288 WeakPolarHBondContact CG1-OH 3.35Å; V204-Y288 HydrophobicContact CG2-CE1 4.41Å; V204-Y288 HydrophobicContact CG2-CE2 4.35Å; W254-Y288 HydrophobicContact CZ2-CD2 4.47Å; L286-Y288 HydrophobicContact CD2-CD1 3.92Å; L286-Y288 HydrophobicContact CG-CD1 4.05Å; Y288-M290 HydrophobicContact CD2-SD 4.4Å; Y288-M290 HydrophobicContact CE2-CE 4.48Å; Y288-M290 HydrophobicContact CE2-CG 4.32Å; Y288-M290 HydrophobicContact CE2-SD 3.62Å; Y288-F295 HydrophobicContact CD2-CE2 4.34Å; Y288-F295 HydrophobicContact CD2-CZ 4.2Å; Y288-F295 HydrophobicContact CE2-CZ 4.23Å; Y288-Y304 CarbonylContact O-C 3.58Å; Y288-Y304 WeakPolarHBondContact O-CA 3.21Å; Y288-V305 HydrophobicContact CD1-CB 4.4Å; Y288-V305 HydrophobicContact CE1-CB 3.88Å; Y288-V305 HydrophobicContact CE1-CG1 3.88Å; Y288-V305 HydrophobicContact CE2-CB 4.1Å; Y288-V305 HydrophobicContact CE2-CG2 4.45Å; Y288-V305 PolarHBondContact N-O 2.91Å; Y288-V305 PolarHBondContact O-N 2.8Å; Y288-V307 HydrophobicContact CD1-CG2 4.48Å; Y288-V307 HydrophobicContact CE1-CG1 3.99Å; Y288-V307 HydrophobicContact CE1-CG2 4.06Å; Y288-N340 WeakPolarHBondContact OH-CB 3.33Å; Y288-N340 PolarHBondContact OH-ND2 2.88Å |
| 289 | Y | 94.9 | Very high | 95.5 | Very high | 38 Ų | 38 | 35.5 Ų | 35.5 | 15% | 0.149 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 130.1 | 179.7 | -172.4 | -103.7 | 0 | 0 | 0 | 111.3 | H252 D291 G302 Y304 | H252-Y289 HydrophobicContact CB-CD1 3.73Å; H252-Y289 HydrophobicContact CB-CE1 4.42Å; H252-Y289 HydrophobicContact CB-CG 3.92Å; H252-Y289 AromaticContact CD2-CD1 3.44Å; H252-Y289 VanDerWaalsContact CD2-CD1 3.44Å; H252-Y289 WeakPolarHBondContact CD2-CD1 3.12Å; H252-Y289 AromaticContact CD2-CE1 3.28Å; H252-Y289 WeakPolarHBondContact CD2-CE1 3.25Å; H252-Y289 AromaticContact CE1-CE1 3.58Å; H252-Y289 AromaticContact CE1-CZ 3.51Å; H252-Y289 AromaticContact CG-CD1 3.36Å; H252-Y289 AromaticContact CG-CE1 3.57Å; H252-Y289 AromaticContact CG-CG 3.8Å; H252-Y289 AromaticContact ND1-CD1 3.81Å; H252-Y289 AromaticContact ND1-CE1 3.74Å; H252-Y289 AromaticContact ND1-CG 3.99Å; H252-Y289 AromaticContact ND1-CZ 3.83Å; H252-Y289 AromaticContact NE2-CD1 3.93Å; H252-Y289 AromaticContact NE2-CE1 3.28Å; H252-Y289 VanDerWaalsContact NE2-CE1 3.28Å; H252-Y289 WeakPolarHBondContact NE2-CE1 3.31Å; H252-Y289 AromaticContact NE2-CZ 3.63Å; Y289-D291 HydrophobicContact CD1-CB 4.09Å; Y289-D291 HydrophobicContact CE1-CB 4.49Å; Y289-D291 PolarHBondContact O-N 3.16Å; Y289-G302 VanDerWaalsContact CE2-C 3.43Å; Y289-G302 VanDerWaalsContact CE2-O 3.28Å; Y289-G302 WeakPolarHBondContact CE2-O 3.34Å; Y289-G302 VanDerWaalsContact CZ-CA 3.47Å; Y289-G302 WeakPolarHBondContact OH-CA 3.44Å; Y289-G302 PolarHBondContact OH-O 3.2Å; Y289-Y304 HydrophobicContact CD2-CD1 4.21Å; Y289-Y304 AromaticContact CD2-CD2 3.81Å; Y289-Y304 HydrophobicContact CD2-CD2 3.81Å; Y289-Y304 HydrophobicContact CD2-CE1 4.08Å; Y289-Y304 AromaticContact CD2-CE2 3.66Å; Y289-Y304 HydrophobicContact CD2-CE2 3.66Å; Y289-Y304 HydrophobicContact CD2-CG 4.08Å; Y289-Y304 AromaticContact CD2-CZ 3.8Å; Y289-Y304 HydrophobicContact CE2-CD2 4.36Å; Y289-Y304 HydrophobicContact CE2-CE2 4.18Å; Y289-Y304 HydrophobicContact CG-CE1 4.39Å |
| 290 | M | 93.5 | Very high | 95.3 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | trans | -76.6 | 68 | 176.9 | -70.3 | -69.6 | -126.5 | 0 | 0 | 111.9 | Y288 K292 F295 T300 G302 Q303 V305 N340 | Y288-M290 HydrophobicContact CD2-SD 4.4Å; Y288-M290 HydrophobicContact CE2-CE 4.48Å; Y288-M290 HydrophobicContact CE2-CG 4.32Å; Y288-M290 HydrophobicContact CE2-SD 3.62Å; M290-K292 PolarHBondContact O-N 2.67Å; M290-F295 HydrophobicContact SD-CB 4.4Å; M290-F295 HydrophobicContact SD-CD1 4.34Å; M290-F295 HydrophobicContact SD-CD2 3.84Å; M290-F295 HydrophobicContact SD-CE2 4.12Å; M290-F295 HydrophobicContact SD-CG 3.94Å; M290-F295 HydrophobicContact SD-CZ 4.49Å; M290-T300 VanDerWaalsContact CB-O 3.28Å; M290-T300 WeakPolarHBondContact CB-O 3.34Å; M290-G302 PolarHBondContact O-N 3.46Å; M290-Q303 WeakPolarHBondContact CB-O 3.32Å; M290-Q303 PolarHBondContact N-O 3.27Å; M290-V305 HydrophobicContact CE-CG2 4.3Å; M290-V305 HydrophobicContact CG-CG2 3.64Å; M290-V305 HydrophobicContact SD-CG2 4.45Å; M290-N340 WeakPolarHBondContact CE-ND2 3.49Å | ||
| 291 | D | 92.9 | Very high | 95.1 | Very high | 16 Ų | 16 | 39.3 Ų | 39.3 | 9% | 0.086 | 21% | 0.212 | C | C | . | . | trans | -62 | 129.8 | 176.6 | -167.7 | -49.6 | 0 | 0 | 0 | 110.9 | N249 Y289 N293 L294 F295 | N249-D291 PolarHBondContact ND2-OD2 2.82Å; Y289-D291 HydrophobicContact CD1-CB 4.09Å; Y289-D291 HydrophobicContact CE1-CB 4.49Å; Y289-D291 PolarHBondContact O-N 3.16Å; D291-N293 PolarHBondContact O-N 2.68Å; D291-N293 VanDerWaalsContact O-N 3.16Å; D291-N293 VanDerWaalsContact OD1-CB 3.26Å; D291-N293 WeakPolarHBondContact OD1-CB 3.02Å; D291-N293 PolarHBondContact OD1-N 3.48Å; D291-N293 PolarHBondContact OD1-ND2 2.04Å; D291-L294 HydrophobicContact CB-CB 4.32Å; D291-L294 HydrophobicContact CB-CD1 4.2Å; D291-L294 HydrophobicContact CB-CG 4.22Å; D291-L294 PolarHBondContact O-N 2.94Å; D291-L294 VanDerWaalsContact O-N 3.1Å; D291-F295 PolarHBondContact O-N 2.88Å | ||
| 292 | K | 93.6 | Very high | 94.8 | Very high | 148 Ų | 148 | 40.8 Ų | 40.8 | 64% | 0.643 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -27.9 | 179.7 | -71 | 179.6 | -179.5 | 178.3 | 0 | 113.1 | M290 P301 | M290-K292 PolarHBondContact O-N 2.67Å; K292-P301 HydrophobicContact CD-CB 4.44Å; K292-P301 HydrophobicContact CG-CB 3.7Å |
| 293 | N | 92.9 | Very high | 94.7 | Very high | 137 Ų | 137 | 43.6 Ų | 43.6 | 73% | 0.733 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -34.4 | 178.9 | -57.4 | -58.9 | 0 | 0 | 0 | 112.2 | D291 | D291-N293 PolarHBondContact O-N 2.68Å; D291-N293 VanDerWaalsContact O-N 3.16Å; D291-N293 VanDerWaalsContact OD1-CB 3.26Å; D291-N293 WeakPolarHBondContact OD1-CB 3.02Å; D291-N293 PolarHBondContact OD1-N 3.48Å; D291-N293 PolarHBondContact OD1-ND2 2.04Å |
| 294 | L | 92.5 | Very high | 94.5 | Very high | 26 Ų | 26 | 48 Ų | 48 | 14% | 0.136 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -34 | 179.8 | -63.3 | 176.9 | 0 | 0 | 0 | 111.9 | Y216 P245 Y246 W254 D291 P296 | Y216-L294 HydrophobicContact CE1-CD2 3.98Å; Y216-L294 WeakPolarHBondContact OH-CD2 3.38Å; P245-L294 HydrophobicContact CB-CD1 3.89Å; P245-L294 HydrophobicContact CG-CD1 3.68Å; Y246-L294 HydrophobicContact CD2-CD2 4.05Å; Y246-L294 HydrophobicContact CE2-CD2 4.46Å; W254-L294 HydrophobicContact CH2-CD1 4.01Å; W254-L294 HydrophobicContact CZ2-CD1 3.86Å; D291-L294 HydrophobicContact CB-CB 4.32Å; D291-L294 HydrophobicContact CB-CD1 4.2Å; D291-L294 HydrophobicContact CB-CG 4.22Å; D291-L294 PolarHBondContact O-N 2.94Å; D291-L294 VanDerWaalsContact O-N 3.1Å; L294-P296 VanDerWaalsContact O-CD 3.28Å; L294-P296 WeakPolarHBondContact O-CD 3.44Å |
| 295 | F | 93.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 48 Ų | 48 | 0% | 0.004 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -121.8 | 66.7 | -176.4 | -51.7 | -76.4 | 0 | 0 | 0 | 111 | V204 Y206 Y216 W254 Y288 M290 D291 D297 S298 | V204-F295 HydrophobicContact CB-CE1 4Å; V204-F295 HydrophobicContact CB-CZ 4.35Å; V204-F295 HydrophobicContact CG1-CE1 3.65Å; V204-F295 HydrophobicContact CG1-CZ 4.04Å; Y206-F295 AromaticContact CD1-CD1 3.54Å; Y206-F295 HydrophobicContact CD1-CD1 3.54Å; Y206-F295 HydrophobicContact CD1-CE1 4.23Å; Y206-F295 HydrophobicContact CD1-CG 4.48Å; Y206-F295 HydrophobicContact CD2-CB 4.3Å; Y206-F295 HydrophobicContact CE1-CB 4.38Å; Y206-F295 AromaticContact CE1-CD1 3.61Å; Y206-F295 HydrophobicContact CE1-CD1 3.61Å; Y206-F295 HydrophobicContact CE1-CE1 4.47Å; Y206-F295 HydrophobicContact CE1-CG 4.48Å; Y206-F295 HydrophobicContact CE2-CB 4.1Å; Y206-F295 HydrophobicContact CG-CD1 4.1Å; Y216-F295 HydrophobicContact CD1-CE1 4.42Å; Y216-F295 HydrophobicContact CG-CE1 4.4Å; W254-F295 HydrophobicContact CH2-CE2 4.09Å; W254-F295 AromaticContact CH2-CZ 3.88Å; W254-F295 HydrophobicContact CH2-CZ 3.88Å; W254-F295 AromaticContact CZ2-CE2 3.86Å; W254-F295 HydrophobicContact CZ2-CE2 3.86Å; W254-F295 HydrophobicContact CZ2-CZ 4.11Å; Y288-F295 HydrophobicContact CD2-CE2 4.34Å; Y288-F295 HydrophobicContact CD2-CZ 4.2Å; Y288-F295 HydrophobicContact CE2-CZ 4.23Å; M290-F295 HydrophobicContact SD-CB 4.4Å; M290-F295 HydrophobicContact SD-CD1 4.34Å; M290-F295 HydrophobicContact SD-CD2 3.84Å; M290-F295 HydrophobicContact SD-CE2 4.12Å; M290-F295 HydrophobicContact SD-CG 3.94Å; M290-F295 HydrophobicContact SD-CZ 4.49Å; D291-F295 PolarHBondContact O-N 2.88Å; F295-D297 PolarHBondContact O-N 3.17Å; F295-S298 VanDerWaalsContact O-CB 3.28Å; F295-S298 WeakPolarHBondContact O-CB 3.31Å; F295-S298 PolarHBondContact O-N 2.86Å |
| 296 | P | 94.3 | Very high | 94.3 | Very high | 59 Ų | 59 | 50.5 Ų | 50.5 | 38% | 0.383 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 137.3 | 180 | 27.3 | -35.3 | 0 | 0 | 0 | 110.7 | Y206 K214 L294 S298 | Y206-P296 PolarHBondContact OH-O 2.96Å; K214-P296 PolarHBondContact NZ-O 3.49Å; L294-P296 VanDerWaalsContact O-CD 3.28Å; L294-P296 WeakPolarHBondContact O-CD 3.44Å; P296-S298 PolarHBondContact O-N 3.01Å |
| 297 | D | 94.4 | Very high | 94.3 | Very high | 93 Ų | 93 | 50.5 Ų | 50.5 | 50% | 0.497 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 12.8 | -176.8 | -39.9 | -50.1 | 0 | 0 | 0 | 115.1 | S208 H209 K214 F295 L299 | S208-D297 CarbonylContact C-O 3.36Å; S208-D297 WeakPolarHBondContact CA-O 3.46Å; H209-D297 PolarHBondContact CD2-O 2.93Å; H209-D297 VanDerWaalsContact CD2-O 3.27Å; H209-D297 PolarHBondContact N-O 3.06Å; K214-D297 IonicContact NZ-OD2 3.7Å; K214-D297 PolarHBondContact NZ-OD2 2.88Å; F295-D297 PolarHBondContact O-N 3.17Å; D297-L299 PolarHBondContact O-N 3.11Å |
| 298 | S | 94.5 | Very high | 94.3 | Very high | 3 Ų | 3 | 51.1 Ų | 51.1 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -54.2 | 137.5 | 174.3 | 176.8 | 0 | 0 | 0 | 0 | 111.1 | H209 F295 P296 T300 P301 | H209-S298 PolarHBondContact NE2-O 3.4Å; F295-S298 VanDerWaalsContact O-CB 3.28Å; F295-S298 WeakPolarHBondContact O-CB 3.31Å; F295-S298 PolarHBondContact O-N 2.86Å; P296-S298 PolarHBondContact O-N 3.01Å; S298-T300 PolarHBondContact O-N 2.89Å; S298-T300 PolarHBondContact OG-N 2.94Å; S298-P301 VanDerWaalsContact O-CD 3.29Å; S298-P301 WeakPolarHBondContact O-CD 3.07Å |
| 299 | L | 93.8 | Very high | 94.3 | Very high | 86 Ų | 86 | 51.6 Ų | 51.6 | 45% | 0.45 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -62.8 | -23.5 | 175.8 | -71.4 | 179.9 | 0 | 0 | 0 | 113.3 | N207 H209 D297 P301 | N207-L299 HydrophobicContact CB-CD1 3.62Å; N207-L299 HydrophobicContact CB-CG 4.18Å; N207-L299 PolarHBondContact O-N 3.14Å; H209-L299 HydrophobicContact CB-CD2 4.42Å; D297-L299 PolarHBondContact O-N 3.11Å; L299-P301 VanDerWaalsContact C-CD 3.5Å |
| 300 | T | 92.5 | Very high | 94.3 | Very high | 34 Ų | 34 | 55.4 Ų | 55.4 | 21% | 0.209 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -129.7 | 61.3 | -175.9 | 59.2 | 0 | 0 | 0 | 0 | 110.9 | M290 S298 | M290-T300 VanDerWaalsContact CB-O 3.28Å; M290-T300 WeakPolarHBondContact CB-O 3.34Å; S298-T300 PolarHBondContact O-N 2.89Å; S298-T300 PolarHBondContact OG-N 2.94Å |
| 301 | P | 93.4 | Very high | 94.3 | Very high | 48 Ų | 48 | 61.2 Ų | 61.2 | 31% | 0.312 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | 147.3 | -179 | 32.1 | -29.6 | 0 | 0 | 0 | 110.1 | K292 S298 L299 | K292-P301 HydrophobicContact CD-CB 4.44Å; K292-P301 HydrophobicContact CG-CB 3.7Å; S298-P301 VanDerWaalsContact O-CD 3.29Å; S298-P301 WeakPolarHBondContact O-CD 3.07Å; L299-P301 VanDerWaalsContact C-CD 3.5Å |
| 302 | G | 93.2 | Very high | 94.2 | Very high | 32 Ų | 32 | 65.1 Ų | 65.1 | 33% | 0.33 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | 17.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y289 M290 | Y289-G302 VanDerWaalsContact CE2-C 3.43Å; Y289-G302 VanDerWaalsContact CE2-O 3.28Å; Y289-G302 WeakPolarHBondContact CE2-O 3.34Å; Y289-G302 VanDerWaalsContact CZ-CA 3.47Å; Y289-G302 WeakPolarHBondContact OH-CA 3.44Å; Y289-G302 PolarHBondContact OH-O 3.2Å; M290-G302 PolarHBondContact O-N 3.46Å |
| 303 | Q | 93.6 | Very high | 94.1 | Very high | 100 Ų | 100 | 60.1 Ų | 60.1 | 47% | 0.467 | 33% | 0.329 | S | S | . | . | trans | -115.8 | 151 | 177.2 | -64 | -176.3 | -1.4 | 0 | 0 | 111.3 | M290 | M290-Q303 WeakPolarHBondContact CB-O 3.32Å; M290-Q303 PolarHBondContact N-O 3.27Å | ||
| 304 | Y | 94.6 | Very high | 94.3 | Very high | 112 Ų | 112 | 54.2 Ų | 54.2 | 44% | 0.439 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 136.8 | 166.5 | -77.9 | -81.9 | 0 | 0 | 0 | 110.3 | E251 T287 Y288 Y289 | E251-Y304 PolarHBondContact O-OH 2.79Å; T287-Y304 HydrophobicContact CG2-CD1 3.95Å; Y288-Y304 CarbonylContact O-C 3.58Å; Y288-Y304 WeakPolarHBondContact O-CA 3.21Å; Y289-Y304 HydrophobicContact CD2-CD1 4.21Å; Y289-Y304 AromaticContact CD2-CD2 3.81Å; Y289-Y304 HydrophobicContact CD2-CD2 3.81Å; Y289-Y304 HydrophobicContact CD2-CE1 4.08Å; Y289-Y304 AromaticContact CD2-CE2 3.66Å; Y289-Y304 HydrophobicContact CD2-CE2 3.66Å; Y289-Y304 HydrophobicContact CD2-CG 4.08Å; Y289-Y304 AromaticContact CD2-CZ 3.8Å; Y289-Y304 HydrophobicContact CE2-CD2 4.36Å; Y289-Y304 HydrophobicContact CE2-CE2 4.18Å; Y289-Y304 HydrophobicContact CG-CE1 4.39Å |
| 305 | V | 95.3 | Very high | 94.5 | Very high | 3 Ų | 3 | 59.6 Ų | 59.6 | 2% | 0.018 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 131.3 | 176.9 | -178.3 | 0 | 0 | 0 | 0 | 108.2 | T287 Y288 M290 V307 I338 N340 | T287-V305 WeakPolarHBondContact CA-O 3.37Å; Y288-V305 HydrophobicContact CD1-CB 4.4Å; Y288-V305 HydrophobicContact CE1-CB 3.88Å; Y288-V305 HydrophobicContact CE1-CG1 3.88Å; Y288-V305 HydrophobicContact CE2-CB 4.1Å; Y288-V305 HydrophobicContact CE2-CG2 4.45Å; Y288-V305 PolarHBondContact N-O 2.91Å; Y288-V305 PolarHBondContact O-N 2.8Å; M290-V305 HydrophobicContact CE-CG2 4.3Å; M290-V305 HydrophobicContact CG-CG2 3.64Å; M290-V305 HydrophobicContact SD-CG2 4.45Å; V305-V307 HydrophobicContact CG1-CG1 4.15Å; V305-I338 HydrophobicContact CG1-CG2 4.2Å; V305-I338 HydrophobicContact CG2-CD1 4.31Å; V305-I338 HydrophobicContact CG2-CG2 4.35Å; V305-N340 HydrophobicContact CG1-CB 4.31Å |
| 306 | N | 96.4 | Very high | 94.6 | Very high | 91 Ų | 91 | 59.7 Ų | 59.7 | 49% | 0.487 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 124.1 | 174.1 | -62.3 | -6.7 | 0 | 0 | 0 | 108.2 | L286 T287 | L286-N306 WeakPolarHBondContact O-CA 3.34Å; T287-N306 WeakPolarHBondContact CG2-OD1 3.27Å; T287-N306 PolarHBondContact OG1-OD1 2.02Å; T287-N306 VanDerWaalsContact OG1-OD1 3.06Å |
| 307 | V | 97 | Very high | 94.7 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 139.3 | 171.9 | -62.6 | 0 | 0 | 0 | 0 | 108.5 | T285 L286 Y288 V305 L332 K333 C342 | T285-V307 WeakPolarHBondContact CA-O 3.3Å; L286-V307 HydrophobicContact CB-CG2 3.78Å; L286-V307 HydrophobicContact CD2-CG2 4.18Å; L286-V307 HydrophobicContact CG-CG2 4.35Å; L286-V307 PolarHBondContact N-O 2.98Å; L286-V307 PolarHBondContact O-N 3.22Å; Y288-V307 HydrophobicContact CD1-CG2 4.48Å; Y288-V307 HydrophobicContact CE1-CG1 3.99Å; Y288-V307 HydrophobicContact CE1-CG2 4.06Å; V305-V307 HydrophobicContact CG1-CG1 4.15Å; V307-L332 HydrophobicContact CB-CB 3.89Å; V307-L332 HydrophobicContact CG2-CB 3.78Å; V307-L332 HydrophobicContact CG2-CD1 4.01Å; V307-K333 CarbonylContact C-O 3.5Å; V307-K333 WeakPolarHBondContact CA-O 3.49Å; V307-C342 HydrophobicContact CG2-CB 3.75Å |
| 308 | S | 97.2 | Very high | 94.9 | Very high | 46 Ų | 46 | 56.1 Ų | 56.1 | 32% | 0.322 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 161.2 | -179.2 | 62.7 | 0 | 0 | 0 | 0 | 113.3 | I284 K333 | I284-S308 CarbonylContact O-C 3.55Å; I284-S308 WeakPolarHBondContact O-CA 3.29Å; I284-S308 WeakPolarHBondContact O-CB 3.33Å; S308-K333 PolarHBondContact N-O 2.92Å; S308-K333 PolarHBondContact O-N 2.98Å |
| 309 | S | 96.7 | Very high | 95 | Very high | 9 Ų | 9 | 58 Ų | 58 | 6% | 0.063 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 129.6 | 167.8 | 174.6 | 0 | 0 | 0 | 0 | 108 | S283 I284 N311 | S283-S309 WeakPolarHBondContact CA-O 3.29Å; I284-S309 PolarHBondContact N-O 2.78Å; I284-S309 PolarHBondContact O-N 3.34Å; S309-N311 PolarHBondContact OG-N 3.37Å |
| 310 | N | 95.1 | Very high | 95.1 | Very high | 118 Ų | 118 | 54.6 Ų | 54.6 | 63% | 0.631 | 30% | 0.3 | S | S | * | . | trans | -106.2 | 19.5 | 174.1 | -62.7 | -29.8 | 0 | 0 | 0 | 111.5 | D282 S283 | D282-N310 CarbonylContact O-C 3.57Å; D282-N310 VanDerWaalsContact O-CA 3.26Å; D282-N310 WeakPolarHBondContact O-CA 3.46Å; S283-N310 PolarHBondContact OG-OD1 2.85Å | ||
| 311 | N | 92.1 | Very high | 95.4 | Very high | 123 Ų | 123 | 54.4 Ų | 54.4 | 66% | 0.658 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -84 | 125.8 | 176.8 | -65 | -21.3 | 0 | 0 | 0 | 108.6 | S309 V313 | S309-N311 PolarHBondContact OG-N 3.37Å; N311-V313 PolarHBondContact O-N 3.36Å |
| 312 | M | 91.6 | Very high | 95.6 | Very high | 98 Ų | 98 | 53.1 Ų | 53.1 | 48% | 0.483 | 29% | 0.285 | S | S | . | . | trans | -56.7 | 121.8 | 171.6 | 178.7 | 179.4 | 59.7 | 0 | 0 | 110.2 | T280 L281 R315 | T280-M312 HydrophobicContact CG2-CG 4.06Å; T280-M312 HydrophobicContact CG2-SD 3.72Å; L281-M312 WeakPolarHBondContact O-CA 3.44Å; M312-R315 HydrophobicContact CE-CG 4.14Å; M312-R315 HydrophobicContact CG-CG 4.29Å; M312-R315 VanDerWaalsContact SD-CD 3.55Å; M312-R315 HydrophobicContact SD-CG 3.51Å; M312-R315 VanDerWaalsContact SD-CG 3.51Å; M312-R315 PolarHBondContact SD-NE 2.95Å | ||
| 313 | V | 92.1 | Very high | 95.8 | Very high | 43 Ų | 43 | 52.1 Ų | 52.1 | 26% | 0.261 | 27% | 0.273 | S | S | . | . | trans | -87.9 | -44.6 | -175.2 | -172.7 | 0 | 0 | 0 | 0 | 112 | L281 I284 N311 V327 I330 | L281-V313 HydrophobicContact CB-CB 4.24Å; L281-V313 HydrophobicContact CB-CG2 4.38Å; L281-V313 HydrophobicContact CD2-CB 4.13Å; L281-V313 HydrophobicContact CD2-CG2 3.91Å; L281-V313 HydrophobicContact CG-CB 4.29Å; L281-V313 HydrophobicContact CG-CG2 3.95Å; L281-V313 PolarHBondContact O-N 2.67Å; I284-V313 HydrophobicContact CD1-CG2 4.1Å; N311-V313 PolarHBondContact O-N 3.36Å; V313-V327 HydrophobicContact CG1-CG1 4.31Å; V313-I330 HydrophobicContact CB-CD1 4.49Å; V313-I330 HydrophobicContact CG1-CD1 3.82Å; V313-I330 HydrophobicContact CG2-CD1 3.76Å | ||
| 314 | F | 95.8 | Very high | 96 | Very high | 13 Ų | 13 | 47.4 Ų | 47.4 | 6% | 0.057 | 25% | 0.251 | C | S | . | . | trans | -154.6 | 165.3 | 179.4 | 52.1 | -103.3 | 0 | 0 | 0 | 110.7 | F260 Y279 T280 L281 I316 Y322 L349 V351 | F260-F314 HydrophobicContact CE1-CE2 4.23Å; F260-F314 AromaticContact CE1-CZ 3.88Å; F260-F314 HydrophobicContact CE1-CZ 3.88Å; Y279-F314 HydrophobicContact CE2-CE2 4.34Å; T280-F314 WeakPolarHBondContact CA-O 3.5Å; T280-F314 WeakPolarHBondContact CG2-O 3.5Å; L281-F314 HydrophobicContact CB-CD1 4.47Å; L281-F314 HydrophobicContact CB-CE1 3.86Å; L281-F314 HydrophobicContact CB-CE2 3.97Å; L281-F314 HydrophobicContact CB-CZ 3.57Å; L281-F314 HydrophobicContact CD2-CE1 3.73Å; L281-F314 HydrophobicContact CD2-CZ 3.98Å; L281-F314 HydrophobicContact CG-CE1 4.47Å; L281-F314 HydrophobicContact CG-CZ 4.43Å; F314-I316 HydrophobicContact CD2-CD1 4.47Å; F314-I316 HydrophobicContact CD2-CG1 3.74Å; F314-I316 HydrophobicContact CE2-CG1 4.32Å; F314-Y322 HydrophobicContact CB-CE1 4.14Å; F314-Y322 HydrophobicContact CB-CE2 4.18Å; F314-Y322 AromaticContact CD1-CD1 3.65Å; F314-Y322 HydrophobicContact CD1-CD1 3.65Å; F314-Y322 AromaticContact CD1-CE1 3.35Å; F314-Y322 HydrophobicContact CD1-CE1 3.35Å; F314-Y322 HydrophobicContact CD1-CG 4.48Å; F314-Y322 AromaticContact CD1-CZ 3.97Å; F314-Y322 HydrophobicContact CD2-CD1 4.21Å; F314-Y322 HydrophobicContact CD2-CG 4.33Å; F314-Y322 AromaticContact CE1-CD1 3.78Å; F314-Y322 HydrophobicContact CE1-CD1 3.78Å; F314-Y322 AromaticContact CE1-CE1 3.83Å; F314-Y322 HydrophobicContact CE1-CE1 3.83Å; F314-Y322 HydrophobicContact CE2-CD1 4.3Å; F314-Y322 AromaticContact CG-CD1 3.89Å; F314-Y322 HydrophobicContact CG-CD1 3.89Å; F314-Y322 AromaticContact CG-CE1 3.76Å; F314-Y322 HydrophobicContact CG-CE1 3.76Å; F314-Y322 HydrophobicContact CG-CE2 4.46Å; F314-Y322 HydrophobicContact CG-CG 4.28Å; F314-Y322 HydrophobicContact CZ-CD1 4.1Å; F314-L349 HydrophobicContact CE1-CD2 3.98Å; F314-V351 HydrophobicContact CE1-CG1 4.43Å; F314-V351 HydrophobicContact CE2-CG1 3.99Å; F314-V351 HydrophobicContact CZ-CG1 3.6Å | ||
| 315 | R | 96.1 | Very high | 96 | Very high | 140 Ų | 140 | 47 Ų | 47 | 53% | 0.528 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 127.6 | 178.5 | -39.3 | -176.6 | 79.5 | 178.8 | 3.8 | 110 | M263 I278 Y279 T280 M312 | M263-R315 VanDerWaalsContact CE-NH2 3.32Å; M263-R315 PolarHBondContact SD-NH2 3.04Å; I278-R315 HydrophobicContact CG2-CB 3.87Å; Y279-R315 WeakPolarHBondContact O-CA 3.07Å; T280-R315 HydrophobicContact CG2-CB 3.88Å; T280-R315 HydrophobicContact CG2-CG 3.73Å; M312-R315 HydrophobicContact CE-CG 4.14Å; M312-R315 HydrophobicContact CG-CG 4.29Å; M312-R315 VanDerWaalsContact SD-CD 3.55Å; M312-R315 HydrophobicContact SD-CG 3.51Å; M312-R315 VanDerWaalsContact SD-CG 3.51Å; M312-R315 PolarHBondContact SD-NE 2.95Å |
| 316 | I | 97.1 | Very high | 95.7 | Very high | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 135.9 | -170.8 | -51.9 | -70.2 | 0 | 0 | 0 | 110.2 | I278 Y279 F314 V318 Y322 T367 | I278-I316 CarbonylContact C-O 3.5Å; I278-I316 WeakPolarHBondContact CA-O 2.87Å; I278-I316 WeakPolarHBondContact CG2-O 3.26Å; Y279-I316 HydrophobicContact CD1-CB 4.24Å; Y279-I316 VanDerWaalsContact CD1-O 3.26Å; Y279-I316 WeakPolarHBondContact CD1-O 3.35Å; Y279-I316 HydrophobicContact CD2-CB 4.46Å; Y279-I316 HydrophobicContact CE1-CB 3.7Å; Y279-I316 HydrophobicContact CE1-CG2 3.68Å; Y279-I316 HydrophobicContact CE2-CB 3.95Å; Y279-I316 HydrophobicContact CE2-CG1 4.27Å; Y279-I316 HydrophobicContact CE2-CG2 4.47Å; Y279-I316 PolarHBondContact N-O 2.9Å; Y279-I316 PolarHBondContact O-N 2.9Å; Y279-I316 WeakPolarHBondContact OH-CG2 3.45Å; F314-I316 HydrophobicContact CD2-CD1 4.47Å; F314-I316 HydrophobicContact CD2-CG1 3.74Å; F314-I316 HydrophobicContact CE2-CG1 4.32Å; I316-V318 PolarHBondContact O-N 3Å; I316-Y322 HydrophobicContact CD1-CD2 3.32Å; I316-Y322 HydrophobicContact CD1-CE2 4.11Å; I316-Y322 HydrophobicContact CD1-CG 3.86Å; I316-Y322 HydrophobicContact CG1-CD2 4.2Å; I316-Y322 HydrophobicContact CG1-CG 4.27Å; I316-T367 HydrophobicContact CD1-CG2 3.74Å |
| 317 | P | 96.8 | Very high | 95.4 | Very high | 45 Ų | 45 | 46.8 Ų | 46.8 | 29% | 0.292 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 136.8 | 171.5 | -23.8 | 35.1 | 0 | 0 | 0 | 112 | G319 S320 | P317-G319 PolarHBondContact O-N 2.86Å; P317-S320 VanDerWaalsContact O-CB 3.31Å; P317-S320 WeakPolarHBondContact O-CB 3.17Å; P317-S320 PolarHBondContact O-N 2.82Å |
| 318 | V | 97.1 | Very high | 95.1 | Very high | 33 Ų | 33 | 50.4 Ų | 50.4 | 20% | 0.2 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 135.4 | 169.6 | 173.5 | 0 | 0 | 0 | 0 | 108.9 | R262 S277 Y279 I316 F354 | R262-V318 HydrophobicContact CG-CG2 4.2Å; S277-V318 WeakPolarHBondContact O-CB 3.3Å; S277-V318 WeakPolarHBondContact O-CG2 3.14Å; S277-V318 PolarHBondContact O-N 2.74Å; Y279-V318 HydrophobicContact CD1-CG2 3.99Å; I316-V318 PolarHBondContact O-N 3Å; V318-F354 HydrophobicContact CG1-CB 4.36Å; V318-F354 HydrophobicContact CG2-CB 4.47Å |
| 319 | G | 96.7 | Very high | 95 | Very high | 43 Ų | 43 | 52.2 Ų | 52.2 | 44% | 0.443 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | 8.5 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114 | P317 G364 N365 | P317-G319 PolarHBondContact O-N 2.86Å; G319-G364 WeakPolarHBondContact O-CA 3.49Å; G319-N365 PolarHBondContact O-N 3.24Å |
| 320 | S | 97.7 | Very high | 95 | Very high | 13 Ų | 13 | 52.6 Ų | 52.6 | 9% | 0.091 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 152.2 | 169.5 | -57.1 | 0 | 0 | 0 | 0 | 109.9 | Y279 P317 N365 | Y279-S320 WeakPolarHBondContact CE1-O 3.06Å; Y279-S320 PolarHBondContact OH-O 2.96Å; P317-S320 VanDerWaalsContact O-CB 3.31Å; P317-S320 WeakPolarHBondContact O-CB 3.17Å; P317-S320 PolarHBondContact O-N 2.82Å; S320-N365 CarbonylContact C-O 3.17Å; S320-N365 WeakPolarHBondContact CA-O 3.47Å; S320-N365 WeakPolarHBondContact CB-O 2.91Å |
| 321 | Y | 98.4 | Very high | 95.1 | Very high | 30 Ų | 30 | 49.8 Ų | 49.8 | 12% | 0.118 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 143.1 | 173.6 | 73.5 | -92.5 | 0 | 0 | 0 | 110.6 | K350 V351 F362 G364 N365 E366 T367 | Y321-K350 HydrophobicContact CE2-CD 4.38Å; Y321-V351 CarbonylContact C-O 3.51Å; Y321-V351 VanDerWaalsContact CA-O 3.3Å; Y321-V351 WeakPolarHBondContact CA-O 2.96Å; Y321-V351 WeakPolarHBondContact CB-O 3.37Å; Y321-F362 HydrophobicContact CD1-CB 3.91Å; Y321-F362 HydrophobicContact CD2-CB 4.35Å; Y321-F362 HydrophobicContact CD2-CD1 4.3Å; Y321-F362 HydrophobicContact CD2-CG 4.44Å; Y321-F362 HydrophobicContact CE1-CB 4.1Å; Y321-F362 HydrophobicContact CG-CB 4.04Å; Y321-F362 HydrophobicContact CG-CD1 4.13Å; Y321-F362 HydrophobicContact CG-CG 4.39Å; Y321-G364 WeakPolarHBondContact CD1-O 3.41Å; Y321-G364 WeakPolarHBondContact CE1-O 3.4Å; Y321-N365 PolarHBondContact N-O 3.27Å; Y321-E366 HydrophobicContact CD2-CG 4.37Å; Y321-E366 HydrophobicContact CE1-CB 3.8Å; Y321-E366 HydrophobicContact CE1-CG 4.38Å; Y321-E366 HydrophobicContact CE2-CB 3.93Å; Y321-E366 HydrophobicContact CE2-CG 3.56Å; Y321-E366 VanDerWaalsContact CZ-CB 3.44Å; Y321-E366 WeakPolarHBondContact OH-CB 3.49Å; Y321-E366 VanDerWaalsContact OH-CD 3.26Å; Y321-E366 PolarHBondContact OH-OE2 3.42Å; Y321-T367 PolarHBondContact O-N 3.11Å |
| 322 | Y | 98.1 | Very high | 95.4 | Very high | 22 Ų | 22 | 44 Ų | 44 | 9% | 0.086 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 140.3 | 173.2 | -172.1 | -126.9 | 0 | 0 | 0 | 110.3 | F314 I316 C324 L349 K350 V351 T367 C369 | F314-Y322 HydrophobicContact CB-CE1 4.14Å; F314-Y322 HydrophobicContact CB-CE2 4.18Å; F314-Y322 AromaticContact CD1-CD1 3.65Å; F314-Y322 HydrophobicContact CD1-CD1 3.65Å; F314-Y322 AromaticContact CD1-CE1 3.35Å; F314-Y322 HydrophobicContact CD1-CE1 3.35Å; F314-Y322 HydrophobicContact CD1-CG 4.48Å; F314-Y322 AromaticContact CD1-CZ 3.97Å; F314-Y322 HydrophobicContact CD2-CD1 4.21Å; F314-Y322 HydrophobicContact CD2-CG 4.33Å; F314-Y322 AromaticContact CE1-CD1 3.78Å; F314-Y322 HydrophobicContact CE1-CD1 3.78Å; F314-Y322 AromaticContact CE1-CE1 3.83Å; F314-Y322 HydrophobicContact CE1-CE1 3.83Å; F314-Y322 HydrophobicContact CE2-CD1 4.3Å; F314-Y322 AromaticContact CG-CD1 3.89Å; F314-Y322 HydrophobicContact CG-CD1 3.89Å; F314-Y322 AromaticContact CG-CE1 3.76Å; F314-Y322 HydrophobicContact CG-CE1 3.76Å; F314-Y322 HydrophobicContact CG-CE2 4.46Å; F314-Y322 HydrophobicContact CG-CG 4.28Å; F314-Y322 HydrophobicContact CZ-CD1 4.1Å; I316-Y322 HydrophobicContact CD1-CD2 3.32Å; I316-Y322 HydrophobicContact CD1-CE2 4.11Å; I316-Y322 HydrophobicContact CD1-CG 3.86Å; I316-Y322 HydrophobicContact CG1-CD2 4.2Å; I316-Y322 HydrophobicContact CG1-CG 4.27Å; Y322-C324 HydrophobicContact CE1-CB 3.96Å; Y322-L349 HydrophobicContact CD1-CD2 3.82Å; Y322-L349 HydrophobicContact CD1-CG 4.36Å; Y322-L349 HydrophobicContact CE1-CD2 3.81Å; Y322-K350 CarbonylContact O-C 3.55Å; Y322-K350 WeakPolarHBondContact O-CA 3.15Å; Y322-V351 HydrophobicContact CD1-CG1 4.2Å; Y322-V351 PolarHBondContact N-O 3.29Å; Y322-V351 PolarHBondContact O-N 2.95Å; Y322-T367 WeakPolarHBondContact CA-O 3.46Å; Y322-T367 WeakPolarHBondContact CD2-O 3.25Å; Y322-C369 HydrophobicContact CE1-CB 4.49Å; Y322-C369 HydrophobicContact CE2-CB 3.66Å; Y322-C369 VanDerWaalsContact CZ-CB 3.49Å; Y322-C369 WeakPolarHBondContact OH-CB 3.5Å |
| 323 | S | 97.4 | Very high | 95.5 | Very high | 10 Ų | 10 | 45.9 Ų | 45.9 | 7% | 0.07 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 123.7 | 179.6 | -168.4 | 0 | 0 | 0 | 0 | 109.2 | L349 E366 T367 L368 C369 | S323-L349 CarbonylContact C-O 3.51Å; S323-L349 VanDerWaalsContact CA-O 3.31Å; S323-L349 WeakPolarHBondContact CA-O 3.27Å; S323-E366 WeakPolarHBondContact CB-OE1 3.42Å; S323-E366 PolarHBondContact OG-OE1 2.75Å; S323-T367 PolarHBondContact N-O 3.26Å; S323-L368 WeakPolarHBondContact O-CA 3.44Å; S323-C369 PolarHBondContact O-N 3.33Å; S323-C369 VanDerWaalsContact O-N 3.08Å |
| 324 | C | 96.5 | Very high | 95.5 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.014 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 119.7 | -178.3 | -163 | 0 | 0 | 0 | 0 | 111.8 | Y322 T326 V327 N348 L349 C369 D372 | Y322-C324 HydrophobicContact CE1-CB 3.96Å; C324-T326 VanDerWaalsContact SG-C 3.51Å; C324-T326 PolarHBondContact SG-O 3.35Å; C324-V327 HydrophobicContact CB-CG2 4.03Å; C324-N348 CarbonylContact O-C 3.56Å; C324-N348 WeakPolarHBondContact O-CA 3.21Å; C324-N348 PolarHBondContact O-N 2.86Å; C324-L349 HydrophobicContact CB-CB 4.4Å; C324-L349 PolarHBondContact N-O 2.84Å; C324-L349 PolarHBondContact O-N 2.86Å; C324-C369 WeakPolarHBondContact CA-SG 3.48Å; C324-C369 HydrophobicContact CB-CB 3.54Å; C324-C369 WeakPolarHBondContact CB-SG 3.25Å; C324-C369 WeakPolarHBondContact SG-CB 3.48Å; C324-C369 CovalentContact SG-SG 2.04Å; C324-C369 PolarHBondContact SG-SG 3.39Å; C324-D372 VanDerWaalsContact CA-OD2 3.25Å; C324-D372 WeakPolarHBondContact CA-OD2 3.13Å |
| 325 | L | 94.4 | Very high | 95 | Very high | 104 Ų | 104 | 48.3 Ų | 48.3 | 55% | 0.545 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | -42.5 | 177.5 | -63.9 | 171.1 | 0 | 0 | 0 | 110.1 | K347 N348 D372 | L325-K347 CarbonylContact O-C 3.58Å; L325-K347 VanDerWaalsContact O-CA 3.25Å; L325-K347 WeakPolarHBondContact O-CA 3.29Å; L325-N348 PolarHBondContact O-N 3.24Å; L325-D372 WeakPolarHBondContact CB-OD1 3.23Å; L325-D372 VanDerWaalsContact CG-OD2 3.31Å; L325-D372 WeakPolarHBondContact CG-OD2 3.44Å; L325-D372 VanDerWaalsContact N-CG 3.28Å; L325-D372 PolarHBondContact N-OD1 2.91Å; L325-D372 VanDerWaalsContact N-OD1 3.16Å; L325-D372 PolarHBondContact N-OD2 3.46Å |
| 326 | T | 89.9 | Confident | 94.1 | Very high | 82 Ų | 82 | 51.3 Ų | 51.3 | 50% | 0.503 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 107.1 | 176.7 | -54.8 | 0 | 0 | 0 | 0 | 110.8 | C324 | C324-T326 VanDerWaalsContact SG-C 3.51Å; C324-T326 PolarHBondContact SG-O 3.35Å |
| 327 | V | 90.2 | Very high | 92.9 | Very high | 7 Ų | 7 | 60.4 Ų | 60.4 | 4% | 0.042 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -75.4 | 141.2 | 172.8 | -173.5 | 0 | 0 | 0 | 0 | 109.1 | V313 C324 M346 L349 | V313-V327 HydrophobicContact CG1-CG1 4.31Å; C324-V327 HydrophobicContact CB-CG2 4.03Å; V327-M346 HydrophobicContact CB-CB 4.05Å; V327-M346 HydrophobicContact CB-CE 4.47Å; V327-M346 HydrophobicContact CG1-CE 4.03Å; V327-M346 HydrophobicContact CG2-CB 3.83Å; V327-M346 HydrophobicContact CG2-CE 4.49Å; V327-M346 PolarHBondContact N-O 3.38Å; V327-L349 HydrophobicContact CG2-CB 3.71Å; V327-L349 HydrophobicContact CG2-CD2 3.49Å; V327-L349 VanDerWaalsContact CG2-CD2 3.49Å; V327-L349 HydrophobicContact CG2-CG 4.23Å |
| 328 | P | 91.4 | Very high | 91.6 | Very high | 76 Ų | 76 | 59.3 Ų | 59.3 | 49% | 0.494 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -50.7 | 145.9 | 169.5 | -27.8 | 35.2 | 0 | 0 | 0 | 112.1 | I330 | P328-I330 PolarHBondContact O-N 3.04Š|
| 329 | E | 94.4 | Very high | 90.6 | Very high | 83 Ų | 83 | 61.6 Ų | 61.6 | 39% | 0.388 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 125.5 | 177.6 | -177 | -164.7 | 118.3 | 0 | 0 | 110.8 | K343 F345 | E329-K343 HydrophobicContact CG-CB 3.97Å; E329-K343 HydrophobicContact CG-CD 4.3Å; E329-K343 HydrophobicContact CG-CG 4.19Å; E329-K343 WeakPolarHBondContact OE1-CD 3.37Å; E329-K343 WeakPolarHBondContact OE1-CE 3.46Å; E329-K343 WeakPolarHBondContact OE1-CG 3.41Å; E329-K343 IonicContact OE1-NZ 2.95Å; E329-K343 PolarHBondContact OE1-NZ 2.94Å; E329-K343 IonicContact OE2-NZ 3.92Å; E329-K343 PolarHBondContact OE2-NZ 3.26Å; E329-F345 HydrophobicContact CB-CD1 4.35Å; E329-F345 HydrophobicContact CB-CE1 4Å; E329-F345 HydrophobicContact CG-CD1 4.18Å; E329-F345 HydrophobicContact CG-CE1 3.59Å; E329-F345 HydrophobicContact CG-CZ 3.85Å |
| 330 | I | 96.6 | Very high | 89.9 | Confident | 18 Ų | 18 | 59.8 Ų | 59.8 | 9% | 0.092 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 119.6 | 178 | -52.9 | 176.8 | 0 | 0 | 0 | 109 | I284 V313 P328 L332 K343 L344 M346 | I284-I330 HydrophobicContact CD1-CD1 3.57Å; I284-I330 HydrophobicContact CD1-CG2 4.33Å; V313-I330 HydrophobicContact CB-CD1 4.49Å; V313-I330 HydrophobicContact CG1-CD1 3.82Å; V313-I330 HydrophobicContact CG2-CD1 3.76Å; P328-I330 PolarHBondContact O-N 3.04Å; I330-L332 HydrophobicContact CG2-CD2 4.06Å; I330-K343 WeakPolarHBondContact O-CA 3.5Å; I330-L344 HydrophobicContact CB-CB 4.27Å; I330-L344 HydrophobicContact CD1-CD2 4.34Å; I330-L344 PolarHBondContact N-O 3.05Å; I330-L344 PolarHBondContact O-N 2.88Å; I330-M346 HydrophobicContact CD1-CE 3.55Å |
| 331 | T | 97 | Very high | 89.6 | Confident | 59 Ų | 59 | 62.4 Ų | 62.4 | 36% | 0.362 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 116.1 | 173.8 | -61.4 | 0 | 0 | 0 | 0 | 110.5 | K333 | T331-K333 HydrophobicContact CG2-CG 4.41Å |
| 332 | L | 97.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 129.2 | 169.8 | -46.8 | -180 | 0 | 0 | 0 | 109 | I284 L286 V307 I330 N341 C342 L344 | I284-L332 HydrophobicContact CB-CD2 3.96Å; I284-L332 HydrophobicContact CG2-CD1 4.2Å; I284-L332 HydrophobicContact CG2-CD2 3.77Å; L286-L332 HydrophobicContact CB-CD1 3.92Å; V307-L332 HydrophobicContact CB-CB 3.89Å; V307-L332 HydrophobicContact CG2-CB 3.78Å; V307-L332 HydrophobicContact CG2-CD1 4.01Å; I330-L332 HydrophobicContact CG2-CD2 4.06Å; L332-N341 WeakPolarHBondContact O-CA 3.48Å; L332-C342 HydrophobicContact CB-CB 4.21Å; L332-C342 WeakPolarHBondContact CB-O 3.41Å; L332-C342 HydrophobicContact CD1-CB 4.42Å; L332-C342 PolarHBondContact N-O 2.83Å; L332-C342 PolarHBondContact O-N 3.47Å; L332-L344 HydrophobicContact CD1-CB 4.47Å |
| 333 | K | 95.6 | Very high | 89.5 | Confident | 139 Ų | 139 | 62.7 Ų | 62.7 | 60% | 0.604 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 137.7 | -178.6 | -65.4 | -177 | -180 | 179.9 | 0 | 110.5 | V307 S308 T331 | V307-K333 CarbonylContact C-O 3.5Å; V307-K333 WeakPolarHBondContact CA-O 3.49Å; S308-K333 PolarHBondContact N-O 2.92Å; S308-K333 PolarHBondContact O-N 2.98Å; T331-K333 HydrophobicContact CG2-CG 4.41Å |
| 334 | G | 91.5 | Very high | 89.5 | Confident | 23 Ų | 23 | 62.3 Ų | 62.3 | 24% | 0.237 | 32% | 0.324 | C | S | . | . | trans | -73.4 | -178.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | N340 | G334-N340 WeakPolarHBondContact CA-O 3.15Å; G334-N340 PolarHBondContact N-O 2.87Å | ||
| 335 | N | 85.5 | Confident | 89.4 | Confident | 83 Ų | 83 | 64.2 Ų | 64.2 | 44% | 0.444 | 33% | 0.332 | S | S | . | . | trans | -75.1 | 162.4 | 171.2 | 62.7 | 21 | 0 | 0 | 0 | 111.3 | K337 I338 | N335-K337 PolarHBondContact O-N 2.77Å; N335-K337 PolarHBondContact OD1-N 2.76Å; N335-I338 CarbonylContact O-C 3.6Å; N335-I338 PolarHBondContact O-N 2.89Å; N335-I338 WeakPolarHBondContact OD1-CB 3.41Å; N335-I338 PolarHBondContact OD1-N 2.84Å | ||
| 336 | E | 76.2 | Confident | 89.5 | Confident | 203 Ų | 203 | 59.5 Ų | 59.5 | 95% | 0.949 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -26.9 | -179.4 | -64.3 | -179.7 | 172.2 | 0 | 0 | 113.5 | I338 | E336-I338 VanDerWaalsContact C-N 3.34Š|
| 337 | K | 72.4 | Confident | 89.8 | Confident | 194 Ų | 194 | 60.5 Ų | 60.5 | 84% | 0.843 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -26.3 | 180 | -63.6 | -174.6 | 179.8 | -178.3 | 0 | 112.7 | N335 | N335-K337 PolarHBondContact O-N 2.77Å; N335-K337 PolarHBondContact OD1-N 2.76Å |
| 338 | I | 69.3 | Low | 90.1 | Very high | 22 Ų | 22 | 62.6 Ų | 62.6 | 11% | 0.113 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -134.6 | 92.1 | -175.3 | -53.1 | 178.6 | 0 | 0 | 0 | 106.6 | V305 N335 E336 N340 | V305-I338 HydrophobicContact CG1-CG2 4.2Å; V305-I338 HydrophobicContact CG2-CD1 4.31Å; V305-I338 HydrophobicContact CG2-CG2 4.35Å; N335-I338 CarbonylContact O-C 3.6Å; N335-I338 PolarHBondContact O-N 2.89Å; N335-I338 WeakPolarHBondContact OD1-CB 3.41Å; N335-I338 PolarHBondContact OD1-N 2.84Å; E336-I338 VanDerWaalsContact C-N 3.34Å; I338-N340 HydrophobicContact CG2-CB 4.06Å; I338-N340 VanDerWaalsContact CG2-CG 3.43Å; I338-N340 WeakPolarHBondContact CG2-ND2 3.29Å; I338-N340 PolarHBondContact O-N 2.9Å |
| 339 | P | 77.3 | Confident | 90.4 | Very high | 81 Ų | 81 | 59 Ų | 59 | 53% | 0.526 | 29% | 0.293 | S | S | . | . | trans | -74.5 | 36 | -176.5 | 34.4 | -38.1 | 0 | 0 | 0 | 112.1 | ||||
| 340 | N | 80.3 | Confident | 90.6 | Very high | 5 Ų | 5 | 58.1 Ų | 58.1 | 3% | 0.027 | 29% | 0.287 | C | S | . | . | trans | -72.9 | 135.5 | 171.9 | -66.1 | -17.4 | 0 | 0 | 0 | 108.1 | F205 Y288 M290 V305 G334 I338 | F205-N340 WeakPolarHBondContact O-CB 3.44Å; Y288-N340 WeakPolarHBondContact OH-CB 3.33Å; Y288-N340 PolarHBondContact OH-ND2 2.88Å; M290-N340 WeakPolarHBondContact CE-ND2 3.49Å; V305-N340 HydrophobicContact CG1-CB 4.31Å; G334-N340 WeakPolarHBondContact CA-O 3.15Å; G334-N340 PolarHBondContact N-O 2.87Å; I338-N340 HydrophobicContact CG2-CB 4.06Å; I338-N340 VanDerWaalsContact CG2-CG 3.43Å; I338-N340 WeakPolarHBondContact CG2-ND2 3.29Å; I338-N340 PolarHBondContact O-N 2.9Å | ||
| 341 | N | 91.6 | Very high | 90.7 | Very high | 67 Ų | 67 | 57.2 Ų | 57.2 | 36% | 0.358 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 149.3 | 172.4 | -61.9 | -47.4 | 0 | 0 | 0 | 107.7 | F205 L332 | F205-N341 WeakPolarHBondContact CB-O 3.05Å; F205-N341 WeakPolarHBondContact CD2-O 3.27Å; F205-N341 PolarHBondContact N-O 2.93Å; L332-N341 WeakPolarHBondContact O-CA 3.48Å |
| 342 | C | 96.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 131.9 | 170.4 | -176.2 | 0 | 0 | 0 | 0 | 108.5 | Q203 V204 L286 V307 L332 | Q203-C342 CarbonylContact O-C 3.56Å; Q203-C342 WeakPolarHBondContact O-CA 3.16Å; V204-C342 HydrophobicContact CG2-CB 4.31Å; L286-C342 HydrophobicContact CD2-CB 4.45Å; V307-C342 HydrophobicContact CG2-CB 3.75Å; L332-C342 HydrophobicContact CB-CB 4.21Å; L332-C342 WeakPolarHBondContact CB-O 3.41Å; L332-C342 HydrophobicContact CD1-CB 4.42Å; L332-C342 PolarHBondContact N-O 2.83Å; L332-C342 PolarHBondContact O-N 3.47Å |
| 343 | K | 97.3 | Very high | 90.8 | Very high | 59 Ų | 59 | 54.7 Ų | 54.7 | 26% | 0.257 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 128.1 | 169.4 | -64.1 | 172.7 | 168 | -132.4 | 0 | 108.6 | F202 Q203 F205 E329 I330 F345 | F202-K343 CarbonylContact C-O 3.48Å; F202-K343 WeakPolarHBondContact CA-O 3.45Å; Q203-K343 HydrophobicContact CB-CB 4.24Å; Q203-K343 PolarHBondContact N-O 2.87Å; Q203-K343 PolarHBondContact O-N 2.9Å; F205-K343 HydrophobicContact CE2-CB 4.27Å; F205-K343 HydrophobicContact CE2-CD 3.5Å; F205-K343 HydrophobicContact CE2-CG 3.64Å; F205-K343 HydrophobicContact CZ-CD 3.68Å; F205-K343 HydrophobicContact CZ-CG 4.33Å; E329-K343 HydrophobicContact CG-CB 3.97Å; E329-K343 HydrophobicContact CG-CD 4.3Å; E329-K343 HydrophobicContact CG-CG 4.19Å; E329-K343 WeakPolarHBondContact OE1-CD 3.37Å; E329-K343 WeakPolarHBondContact OE1-CE 3.46Å; E329-K343 WeakPolarHBondContact OE1-CG 3.41Å; E329-K343 IonicContact OE1-NZ 2.95Å; E329-K343 PolarHBondContact OE1-NZ 2.94Å; E329-K343 IonicContact OE2-NZ 3.92Å; E329-K343 PolarHBondContact OE2-NZ 3.26Å; I330-K343 WeakPolarHBondContact O-CA 3.5Å; K343-F345 HydrophobicContact CB-CE2 3.66Å; K343-F345 HydrophobicContact CB-CZ 3.88Å; K343-F345 HydrophobicContact CD-CZ 4.23Å |
| 344 | L | 97.4 | Very high | 90.9 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 128.7 | 174.5 | 169.2 | 65.7 | 0 | 0 | 0 | 109 | I200 F202 I284 I330 L332 M346 | I200-L344 HydrophobicContact CG2-CD1 3.6Å; F202-L344 HydrophobicContact CD1-CD1 3.96Å; F202-L344 HydrophobicContact CE1-CD1 3.66Å; F202-L344 HydrophobicContact CZ-CD1 4.12Å; I284-L344 HydrophobicContact CD1-CD2 3.83Å; I284-L344 HydrophobicContact CG2-CD2 3.8Å; I330-L344 HydrophobicContact CB-CB 4.27Å; I330-L344 HydrophobicContact CD1-CD2 4.34Å; I330-L344 PolarHBondContact N-O 3.05Å; I330-L344 PolarHBondContact O-N 2.88Å; L332-L344 HydrophobicContact CD1-CB 4.47Å; L344-M346 HydrophobicContact CD1-CG 4.16Å; L344-M346 HydrophobicContact CD2-CE 4.24Å; L344-M346 HydrophobicContact CD2-CG 4.5Å; L344-M346 HydrophobicContact CD2-SD 4.29Å; L344-M346 HydrophobicContact CG-CG 4.22Å |
| 345 | F | 96.3 | Very high | 91.2 | Very high | 43 Ų | 43 | 49 Ų | 49 | 19% | 0.189 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 129.5 | 174.9 | -55.3 | -91 | 0 | 0 | 0 | 108.5 | M201 Q203 E329 K343 | M201-F345 HydrophobicContact CB-CB 4.28Å; M201-F345 HydrophobicContact CE-CB 3.94Å; M201-F345 HydrophobicContact CE-CD1 4.37Å; M201-F345 HydrophobicContact CE-CD2 3.47Å; M201-F345 VanDerWaalsContact CE-CD2 3.47Å; M201-F345 HydrophobicContact CE-CE2 4.03Å; M201-F345 HydrophobicContact CE-CG 3.66Å; M201-F345 PolarHBondContact N-O 2.74Å; M201-F345 PolarHBondContact O-N 2.93Å; Q203-F345 HydrophobicContact CB-CE2 3.97Å; E329-F345 HydrophobicContact CB-CD1 4.35Å; E329-F345 HydrophobicContact CB-CE1 4Å; E329-F345 HydrophobicContact CG-CD1 4.18Å; E329-F345 HydrophobicContact CG-CE1 3.59Å; E329-F345 HydrophobicContact CG-CZ 3.85Å; K343-F345 HydrophobicContact CB-CE2 3.66Å; K343-F345 HydrophobicContact CB-CZ 3.88Å; K343-F345 HydrophobicContact CD-CZ 4.23Å |
| 346 | M | 96.3 | Very high | 91.7 | Very high | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.02 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 125.8 | 176.2 | -67.9 | -176.9 | -69.4 | 0 | 0 | 109 | F196 S198 D199 I200 V327 I330 L344 L349 | F196-M346 HydrophobicContact CZ-SD 4.37Å; S198-M346 WeakPolarHBondContact OG-CB 3.35Å; D199-M346 WeakPolarHBondContact O-CA 3.14Å; I200-M346 HydrophobicContact CG1-CG 4.26Å; V327-M346 HydrophobicContact CB-CB 4.05Å; V327-M346 HydrophobicContact CB-CE 4.47Å; V327-M346 HydrophobicContact CG1-CE 4.03Å; V327-M346 HydrophobicContact CG2-CB 3.83Å; V327-M346 HydrophobicContact CG2-CE 4.49Å; V327-M346 PolarHBondContact N-O 3.38Å; I330-M346 HydrophobicContact CD1-CE 3.55Å; L344-M346 HydrophobicContact CD1-CG 4.16Å; L344-M346 HydrophobicContact CD2-CE 4.24Å; L344-M346 HydrophobicContact CD2-CG 4.5Å; L344-M346 HydrophobicContact CD2-SD 4.29Å; L344-M346 HydrophobicContact CG-CG 4.22Å; M346-L349 HydrophobicContact CE-CD2 4.43Å; M346-L349 HydrophobicContact SD-CD1 4.5Å |
| 347 | K | 95.6 | Very high | 92.7 | Very high | 104 Ų | 104 | 43.5 Ų | 43.5 | 45% | 0.452 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 148.9 | 176.2 | -66.7 | -178.2 | 178.6 | -177.7 | 0 | 110.4 | S198 D199 L325 L349 | S198-K347 PolarHBondContact OG-O 2.97Å; D199-K347 HydrophobicContact CB-CB 4.18Å; D199-K347 PolarHBondContact N-O 2.81Å; D199-K347 PolarHBondContact O-N 2.83Å; L325-K347 CarbonylContact O-C 3.58Å; L325-K347 VanDerWaalsContact O-CA 3.25Å; L325-K347 WeakPolarHBondContact O-CA 3.29Å; K347-L349 PolarHBondContact O-N 2.89Å |
| 348 | N | 95.9 | Very high | 93.9 | Very high | 51 Ų | 51 | 39 Ų | 39 | 27% | 0.273 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 50.6 | 40.9 | -177.5 | -53.8 | -60.4 | 0 | 0 | 0 | 111.9 | V181 C324 L325 K350 | V181-N348 HydrophobicContact CG2-CB 4.05Å; C324-N348 CarbonylContact O-C 3.56Å; C324-N348 WeakPolarHBondContact O-CA 3.21Å; C324-N348 PolarHBondContact O-N 2.86Å; L325-N348 PolarHBondContact O-N 3.24Å; N348-K350 PolarHBondContact O-N 2.82Å |
| 349 | L | 97.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 121.5 | -179.9 | 175.2 | 64.1 | 0 | 0 | 0 | 109.1 | F196 Q197 F314 Y322 S323 C324 V327 M346 K347 | F196-L349 HydrophobicContact CD2-CD1 4.07Å; F196-L349 HydrophobicContact CE2-CD1 3.41Å; F196-L349 VanDerWaalsContact CE2-CD1 3.41Å; F196-L349 HydrophobicContact CZ-CD1 3.88Å; Q197-L349 CarbonylContact O-C 3.52Å; Q197-L349 VanDerWaalsContact O-CA 3.29Å; Q197-L349 WeakPolarHBondContact O-CA 3.44Å; F314-L349 HydrophobicContact CE1-CD2 3.98Å; Y322-L349 HydrophobicContact CD1-CD2 3.82Å; Y322-L349 HydrophobicContact CD1-CG 4.36Å; Y322-L349 HydrophobicContact CE1-CD2 3.81Å; S323-L349 CarbonylContact C-O 3.51Å; S323-L349 VanDerWaalsContact CA-O 3.31Å; S323-L349 WeakPolarHBondContact CA-O 3.27Å; C324-L349 HydrophobicContact CB-CB 4.4Å; C324-L349 PolarHBondContact N-O 2.84Å; C324-L349 PolarHBondContact O-N 2.86Å; V327-L349 HydrophobicContact CG2-CB 3.71Å; V327-L349 HydrophobicContact CG2-CD2 3.49Å; V327-L349 VanDerWaalsContact CG2-CD2 3.49Å; V327-L349 HydrophobicContact CG2-CG 4.23Å; M346-L349 HydrophobicContact CE-CD2 4.43Å; M346-L349 HydrophobicContact SD-CD1 4.5Å; K347-L349 PolarHBondContact O-N 2.89Å |
| 350 | K | 98.2 | Very high | 96.3 | Very high | 63 Ų | 63 | 41.2 Ų | 41.2 | 27% | 0.274 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 131.1 | 162.7 | -60.7 | -169.6 | 174.5 | -157.1 | 0 | 109.9 | F196 Q197 Y321 Y322 N348 F362 | F196-K350 CarbonylContact C-O 3.37Å; F196-K350 WeakPolarHBondContact CA-O 3.37Å; Q197-K350 HydrophobicContact CB-CB 4.24Å; Q197-K350 PolarHBondContact N-O 3.05Å; Q197-K350 PolarHBondContact O-N 2.96Å; Y321-K350 HydrophobicContact CE2-CD 4.38Å; Y322-K350 CarbonylContact O-C 3.55Å; Y322-K350 WeakPolarHBondContact O-CA 3.15Å; N348-K350 PolarHBondContact O-N 2.82Å; K350-F362 HydrophobicContact CB-CD2 4.43Å; K350-F362 HydrophobicContact CB-CE1 3.9Å; K350-F362 HydrophobicContact CB-CE2 3.81Å; K350-F362 HydrophobicContact CB-CZ 3.51Å; K350-F362 HydrophobicContact CD-CD2 4.32Å; K350-F362 HydrophobicContact CD-CE2 4.23Å |
| 351 | V | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 135.9 | 178.9 | 57.7 | 0 | 0 | 0 | 0 | 111.4 | F194 L195 F196 F260 Y279 F314 Y321 Y322 | F194-V351 HydrophobicContact CE2-CG2 3.67Å; F194-V351 HydrophobicContact CZ-CG2 3.93Å; L195-V351 WeakPolarHBondContact O-CA 3.47Å; F196-V351 HydrophobicContact CD2-CB 4.07Å; F196-V351 HydrophobicContact CD2-CG2 4.03Å; F260-V351 HydrophobicContact CE1-CG2 3.67Å; F260-V351 HydrophobicContact CZ-CG2 3.78Å; Y279-V351 PolarHBondContact OH-O 2.91Å; F314-V351 HydrophobicContact CE1-CG1 4.43Å; F314-V351 HydrophobicContact CE2-CG1 3.99Å; F314-V351 HydrophobicContact CZ-CG1 3.6Å; Y321-V351 CarbonylContact C-O 3.51Å; Y321-V351 VanDerWaalsContact CA-O 3.3Å; Y321-V351 WeakPolarHBondContact CA-O 2.96Å; Y321-V351 WeakPolarHBondContact CB-O 3.37Å; Y322-V351 HydrophobicContact CD1-CG1 4.2Å; Y322-V351 PolarHBondContact N-O 3.29Å; Y322-V351 PolarHBondContact O-N 2.95Å |
| 352 | E | 98.6 | Very high | 97.4 | Very high | 5 Ų | 5 | 41.6 Ų | 41.6 | 2% | 0.023 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 120.1 | 173.4 | -171 | 171.9 | 176.2 | 0 | 0 | 108 | F194 L195 M355 F362 I363 G364 | F194-E352 CarbonylContact C-O 3.47Å; F194-E352 WeakPolarHBondContact CA-O 3.46Å; L195-E352 PolarHBondContact N-O 2.96Å; L195-E352 PolarHBondContact O-N 3.06Å; E352-M355 HydrophobicContact CB-CE 3.77Å; E352-M355 HydrophobicContact CG-CE 3.53Å; E352-M355 WeakPolarHBondContact OE2-CE 3.35Å; E352-F362 HydrophobicContact CB-CD1 3.84Å; E352-F362 HydrophobicContact CB-CE1 4.17Å; E352-F362 VanDerWaalsContact OE2-CA 3.27Å; E352-F362 WeakPolarHBondContact OE2-CA 3.43Å; E352-I363 PolarHBondContact OE2-N 2.79Å; E352-I363 VanDerWaalsContact OE2-N 3.11Å; E352-G364 PolarHBondContact OE1-N 2.84Å |
| 353 | A | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 158.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111 | F194 Y279 M355 | F194-A353 HydrophobicContact CD2-CB 3.67Å; F194-A353 HydrophobicContact CE2-CB 4.01Å; Y279-A353 HydrophobicContact CD2-CB 3.86Å; Y279-A353 HydrophobicContact CE2-CB 4Å; Y279-A353 HydrophobicContact CG-CB 4.19Å; A353-M355 PolarHBondContact O-N 2.79Å |
| 354 | F | 98 | Very high | 97.4 | Very high | 24 Ų | 24 | 43.9 Ų | 43.9 | 11% | 0.105 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 59.4 | 33 | 178.9 | -48.8 | -82.1 | 0 | 0 | 0 | 113.3 | C193 T237 F260 R262 Y279 V318 | C193-F354 PolarHBondContact O-N 2.85Å; T237-F354 WeakPolarHBondContact OG1-CE1 3.47Å; F260-F354 HydrophobicContact CB-CE2 4.31Å; R262-F354 HydrophobicContact CB-CD1 4.11Å; R262-F354 HydrophobicContact CB-CD2 4.19Å; R262-F354 HydrophobicContact CB-CE1 3.75Å; R262-F354 HydrophobicContact CB-CE2 3.87Å; R262-F354 HydrophobicContact CB-CG 4.31Å; R262-F354 HydrophobicContact CB-CZ 3.62Å; Y279-F354 VanDerWaalsContact CB-CE2 3.46Å; Y279-F354 HydrophobicContact CD1-CD2 4.4Å; Y279-F354 HydrophobicContact CG-CD2 4.05Å; Y279-F354 HydrophobicContact CG-CE2 4.21Å; V318-F354 HydrophobicContact CG1-CB 4.36Å; V318-F354 HydrophobicContact CG2-CB 4.47Å |
| 355 | M | 97.2 | Very high | 97.4 | Very high | 18 Ų | 18 | 49.8 Ų | 49.8 | 9% | 0.089 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 164.2 | 173.8 | 53.2 | 159.6 | 58.3 | 0 | 0 | 111.6 | Y192 C193 L195 E352 A353 | Y192-M355 CarbonylContact O-C 3.57Å; Y192-M355 VanDerWaalsContact O-CG 3.29Å; Y192-M355 WeakPolarHBondContact O-CG 3.32Å; C193-M355 WeakPolarHBondContact CA-O 3.47Å; C193-M355 WeakPolarHBondContact O-CG 3.46Å; C193-M355 PolarHBondContact O-N 2.75Å; C193-M355 VanDerWaalsContact O-N 3.08Å; L195-M355 HydrophobicContact CB-CE 4.34Å; L195-M355 HydrophobicContact CD1-CE 3.6Å; L195-M355 HydrophobicContact CD1-SD 4.11Å; L195-M355 HydrophobicContact CG-CE 3.69Å; L195-M355 HydrophobicContact CG-SD 3.81Å; E352-M355 HydrophobicContact CB-CE 3.77Å; E352-M355 HydrophobicContact CG-CE 3.53Å; E352-M355 WeakPolarHBondContact OE2-CE 3.35Å; A353-M355 PolarHBondContact O-N 2.79Å |
| 356 | N | 97 | Very high | 97.4 | Very high | 125 Ų | 125 | 52.2 Ų | 52.2 | 67% | 0.668 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 61.3 | 172.6 | -175.6 | 18.6 | 0 | 0 | 0 | 109.2 | S191 | S191-N356 WeakPolarHBondContact CB-OD1 3.37Å; S191-N356 PolarHBondContact OG-OD1 2.68Å |
| 357 | N | 97 | Very high | 97.4 | Very high | 47 Ų | 47 | 54.1 Ų | 54.1 | 25% | 0.251 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 143.3 | -173.6 | -66.6 | -34.3 | 0 | 0 | 0 | 110.5 | S191 Y192 V359 I363 | S191-N357 CarbonylContact C-O 3.52Å; S191-N357 WeakPolarHBondContact CA-O 3.46Å; Y192-N357 PolarHBondContact N-O 3.29Å; Y192-N357 PolarHBondContact O-N 3.3Å; N357-V359 VanDerWaalsContact C-N 3.28Å; N357-I363 HydrophobicContact CB-CD1 3.76Å; N357-I363 WeakPolarHBondContact ND2-CD1 3.15Å |
| 358 | S | 97.5 | Very high | 97.4 | Very high | 99 Ų | 99 | 53.4 Ų | 53.4 | 69% | 0.692 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -77.2 | -16.6 | 174.7 | 55.1 | 0 | 0 | 0 | 0 | 113.2 | ||
| 359 | V | 98 | Very high | 97.3 | Very high | 84 Ų | 84 | 51.2 Ų | 51.2 | 51% | 0.509 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -103.1 | 135.5 | -175.1 | -176.4 | 0 | 0 | 0 | 0 | 110.4 | N357 A361 I363 | N357-V359 VanDerWaalsContact C-N 3.28Å; V359-A361 HydrophobicContact CG1-CB 3.89Å; V359-A361 PolarHBondContact O-N 2.73Å; V359-I363 HydrophobicContact CB-CD1 4.34Å |
| 360 | E | 97.9 | Very high | 97 | Very high | 66 Ų | 66 | 58.3 Ų | 58.3 | 31% | 0.308 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -80 | 55.3 | 178.1 | -158.3 | -173.5 | 166.5 | 0 | 0 | 112.5 | K183 S185 Y192 L195 | K183-E360 PolarHBondContact NZ-O 2.81Å; K183-E360 IonicContact NZ-OE1 2.67Å; S185-E360 VanDerWaalsContact CB-OE1 3.23Å; S185-E360 WeakPolarHBondContact CB-OE1 3.35Å; S185-E360 PolarHBondContact OG-OE1 2.95Å; Y192-E360 HydrophobicContact CD1-CB 4.45Å; Y192-E360 HydrophobicContact CD1-CG 4.02Å; Y192-E360 HydrophobicContact CD2-CB 4.06Å; Y192-E360 HydrophobicContact CD2-CG 4.5Å; Y192-E360 HydrophobicContact CE1-CB 3.94Å; Y192-E360 HydrophobicContact CE1-CG 3.56Å; Y192-E360 HydrophobicContact CE2-CB 3.51Å; Y192-E360 HydrophobicContact CE2-CG 4.1Å; Y192-E360 HydrophobicContact CG-CB 4.49Å; Y192-E360 HydrophobicContact CG-CG 4.46Å; Y192-E360 VanDerWaalsContact CZ-CB 3.42Å; Y192-E360 PolarHBondContact OH-OE2 2.83Å; L195-E360 HydrophobicContact CD2-CG 3.58Å |
| 361 | A | 98.1 | Very high | 96.4 | Very high | 36 Ų | 36 | 58.6 Ų | 58.6 | 30% | 0.298 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -132.4 | 149.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111 | L195 V359 I363 | L195-A361 VanDerWaalsContact CD1-O 3.3Å; L195-A361 WeakPolarHBondContact CD1-O 3.04Å; V359-A361 HydrophobicContact CG1-CB 3.89Å; V359-A361 PolarHBondContact O-N 2.73Å; A361-I363 HydrophobicContact CB-CG1 4.32Å; A361-I363 PolarHBondContact O-N 3.38Å |
| 362 | F | 98.2 | Very high | 95.8 | Very high | 43 Ų | 43 | 60 Ų | 60 | 19% | 0.189 | 34% | 0.337 | C | S | . | . | trans | -69.9 | 108 | 167.9 | -63 | -75.8 | 0 | 0 | 0 | 108 | L195 Q197 Y321 K350 E352 | L195-F362 HydrophobicContact CB-CD1 4.27Å; L195-F362 HydrophobicContact CB-CE1 3.67Å; L195-F362 HydrophobicContact CB-CZ 3.97Å; L195-F362 HydrophobicContact CD1-CD1 4.37Å; L195-F362 HydrophobicContact CD1-CE1 4.49Å; Q197-F362 HydrophobicContact CB-CE2 4.23Å; Q197-F362 HydrophobicContact CB-CZ 4Å; Y321-F362 HydrophobicContact CD1-CB 3.91Å; Y321-F362 HydrophobicContact CD2-CB 4.35Å; Y321-F362 HydrophobicContact CD2-CD1 4.3Å; Y321-F362 HydrophobicContact CD2-CG 4.44Å; Y321-F362 HydrophobicContact CE1-CB 4.1Å; Y321-F362 HydrophobicContact CG-CB 4.04Å; Y321-F362 HydrophobicContact CG-CD1 4.13Å; Y321-F362 HydrophobicContact CG-CG 4.39Å; K350-F362 HydrophobicContact CB-CD2 4.43Å; K350-F362 HydrophobicContact CB-CE1 3.9Å; K350-F362 HydrophobicContact CB-CE2 3.81Å; K350-F362 HydrophobicContact CB-CZ 3.51Å; K350-F362 HydrophobicContact CD-CD2 4.32Å; K350-F362 HydrophobicContact CD-CE2 4.23Å; E352-F362 HydrophobicContact CB-CD1 3.84Å; E352-F362 HydrophobicContact CB-CE1 4.17Å; E352-F362 VanDerWaalsContact OE2-CA 3.27Å; E352-F362 WeakPolarHBondContact OE2-CA 3.43Å | ||
| 363 | I | 97 | Very high | 94.8 | Very high | 92 Ų | 92 | 63.4 Ų | 63.4 | 47% | 0.472 | 36% | 0.358 | S | S | . | . | trans | -107.8 | -30.1 | -172.4 | -69.5 | 160.7 | 0 | 0 | 0 | 111 | E352 N357 V359 A361 | E352-I363 PolarHBondContact OE2-N 2.79Å; E352-I363 VanDerWaalsContact OE2-N 3.11Å; N357-I363 HydrophobicContact CB-CD1 3.76Å; N357-I363 WeakPolarHBondContact ND2-CD1 3.15Å; V359-I363 HydrophobicContact CB-CD1 4.34Å; A361-I363 HydrophobicContact CB-CG1 4.32Å; A361-I363 PolarHBondContact O-N 3.38Å | ||
| 364 | G | 95.8 | Very high | 93.2 | Very high | 15 Ų | 15 | 69.4 Ų | 69.4 | 16% | 0.155 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -60.6 | 172.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | G319 Y321 E352 | G319-G364 WeakPolarHBondContact O-CA 3.49Å; Y321-G364 WeakPolarHBondContact CD1-O 3.41Å; Y321-G364 WeakPolarHBondContact CE1-O 3.4Å; E352-G364 PolarHBondContact OE1-N 2.84Å |
| 365 | N | 97.2 | Very high | 91.4 | Very high | 125 Ų | 125 | 74 Ų | 74 | 67% | 0.668 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 137.1 | 172.3 | -66.2 | -32 | 0 | 0 | 0 | 110.3 | G319 S320 Y321 T367 | G319-N365 PolarHBondContact O-N 3.24Å; S320-N365 CarbonylContact C-O 3.17Å; S320-N365 WeakPolarHBondContact CA-O 3.47Å; S320-N365 WeakPolarHBondContact CB-O 2.91Å; Y321-N365 PolarHBondContact N-O 3.27Å; N365-T367 PolarHBondContact O-N 2.9Å |
| 366 | E | 97.4 | Very high | 89.6 | Confident | 94 Ų | 94 | 77.4 Ų | 77.4 | 44% | 0.439 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 127.4 | 177.1 | -171.3 | 164.6 | -148 | 0 | 0 | 110.6 | Y321 S323 L368 | Y321-E366 HydrophobicContact CD2-CG 4.37Å; Y321-E366 HydrophobicContact CE1-CB 3.8Å; Y321-E366 HydrophobicContact CE1-CG 4.38Å; Y321-E366 HydrophobicContact CE2-CB 3.93Å; Y321-E366 HydrophobicContact CE2-CG 3.56Å; Y321-E366 VanDerWaalsContact CZ-CB 3.44Å; Y321-E366 WeakPolarHBondContact OH-CB 3.49Å; Y321-E366 VanDerWaalsContact OH-CD 3.26Å; Y321-E366 PolarHBondContact OH-OE2 3.42Å; S323-E366 WeakPolarHBondContact CB-OE1 3.42Å; S323-E366 PolarHBondContact OG-OE1 2.75Å; E366-L368 HydrophobicContact CG-CD2 4.19Å; E366-L368 HydrophobicContact CG-CG 4.47Å |
| 367 | T | 96.6 | Very high | 88.3 | Confident | 45 Ų | 45 | 76.1 Ų | 76.1 | 28% | 0.276 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 111.6 | 168.8 | -55.3 | 0 | 0 | 0 | 0 | 108.5 | I316 Y321 Y322 S323 N365 | I316-T367 HydrophobicContact CD1-CG2 3.74Å; Y321-T367 PolarHBondContact O-N 3.11Å; Y322-T367 WeakPolarHBondContact CA-O 3.46Å; Y322-T367 WeakPolarHBondContact CD2-O 3.25Å; S323-T367 PolarHBondContact N-O 3.26Å; N365-T367 PolarHBondContact O-N 2.9Å |
| 368 | L | 95.5 | Very high | 87.5 | Confident | 89 Ų | 89 | 80.7 Ų | 80.7 | 47% | 0.466 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 150.1 | 178.7 | -64.7 | 170.8 | 0 | 0 | 0 | 111.1 | S323 E366 | S323-L368 WeakPolarHBondContact O-CA 3.44Å; E366-L368 HydrophobicContact CG-CD2 4.19Å; E366-L368 HydrophobicContact CG-CG 4.47Å |
| 369 | C | 94.3 | Very high | 86.8 | Confident | 4 Ų | 4 | 80.6 Ų | 80.6 | 3% | 0.027 | 45% | 0.449 | C | S | . | . | trans | -77.7 | 152 | 172.2 | 69 | 0 | 0 | 0 | 0 | 112.7 | Y322 S323 C324 S371 D372 V373 | Y322-C369 HydrophobicContact CE1-CB 4.49Å; Y322-C369 HydrophobicContact CE2-CB 3.66Å; Y322-C369 VanDerWaalsContact CZ-CB 3.49Å; Y322-C369 WeakPolarHBondContact OH-CB 3.5Å; S323-C369 PolarHBondContact O-N 3.33Å; S323-C369 VanDerWaalsContact O-N 3.08Å; C324-C369 WeakPolarHBondContact CA-SG 3.48Å; C324-C369 HydrophobicContact CB-CB 3.54Å; C324-C369 WeakPolarHBondContact CB-SG 3.25Å; C324-C369 WeakPolarHBondContact SG-CB 3.48Å; C324-C369 CovalentContact SG-SG 2.04Å; C324-C369 PolarHBondContact SG-SG 3.39Å; C369-S371 PolarHBondContact O-N 3.26Å; C369-S371 VanDerWaalsContact O-N 3.08Å; C369-D372 PolarHBondContact O-N 3.29Å; C369-D372 PolarHBondContact SG-OD1 3.08Å; C369-V373 PolarHBondContact O-N 3.21Å; C369-V373 VanDerWaalsContact O-N 3.09Å | ||
| 370 | D | 90.6 | Very high | 86.4 | Confident | 150 Ų | 150 | 80.5 Ų | 80.5 | 80% | 0.802 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -25.9 | 178.6 | -64 | -28 | 0 | 0 | 0 | 113.1 | D372 | D370-D372 VanDerWaalsContact C-N 3.34Š|
| 371 | S | 85.6 | Confident | 85.8 | Confident | 70 Ų | 70 | 82.2 Ų | 82.2 | 49% | 0.49 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -26.1 | 177 | -57.7 | 0 | 0 | 0 | 0 | 113.3 | C369 | C369-S371 PolarHBondContact O-N 3.26Å; C369-S371 VanDerWaalsContact O-N 3.08Å |
| 372 | D | 85.1 | Confident | 85.5 | Confident | 28 Ų | 28 | 82.3 Ų | 82.3 | 15% | 0.15 | 46% | 0.464 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -20.3 | 178.7 | -77.3 | 9.1 | 0 | 0 | 0 | 112.8 | C324 L325 C369 D370 N374 | C324-D372 VanDerWaalsContact CA-OD2 3.25Å; C324-D372 WeakPolarHBondContact CA-OD2 3.13Å; L325-D372 WeakPolarHBondContact CB-OD1 3.23Å; L325-D372 VanDerWaalsContact CG-OD2 3.31Å; L325-D372 WeakPolarHBondContact CG-OD2 3.44Å; L325-D372 VanDerWaalsContact N-CG 3.28Å; L325-D372 PolarHBondContact N-OD1 2.91Å; L325-D372 VanDerWaalsContact N-OD1 3.16Å; L325-D372 PolarHBondContact N-OD2 3.46Å; C369-D372 PolarHBondContact O-N 3.29Å; C369-D372 PolarHBondContact SG-OD1 3.08Å; D370-D372 VanDerWaalsContact C-N 3.34Å; D372-N374 PolarHBondContact O-N 2.88Å |
| 373 | V | 78.2 | Confident | 85.3 | Confident | 78 Ų | 78 | 84.1 Ų | 84.1 | 47% | 0.473 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -65.2 | 88.4 | 166.4 | -178.8 | 0 | 0 | 0 | 0 | 105.1 | C369 V375 | C369-V373 PolarHBondContact O-N 3.21Å; C369-V373 VanDerWaalsContact O-N 3.09Å; V373-V375 PolarHBondContact O-N 2.85Å; V373-V375 VanDerWaalsContact O-N 3.09Å |
| 374 | N | 64 | Low | 85.2 | Confident | 126 Ų | 126 | 81.2 Ų | 81.2 | 67% | 0.674 | 47% | 0.471 | S | S | * | . | trans | -21.8 | 115.9 | -177 | -80.3 | -30.2 | 0 | 0 | 0 | 108.4 | D372 N376 | D372-N374 PolarHBondContact O-N 2.88Å; N374-N376 VanDerWaalsContact O-CA 3.23Å; N374-N376 WeakPolarHBondContact O-CA 3.34Å; N374-N376 PolarHBondContact O-N 2.94Å; N374-N376 PolarHBondContact O-OD1 2.87Å | ||
| 375 | V | 60.4 | Low | 85.2 | Confident | 119 Ų | 119 | 85.2 Ų | 85.2 | 72% | 0.721 | 49% | 0.488 | S | S | * | . | trans | -39.8 | 106 | 153.5 | -104.6 | 0 | 0 | 0 | 0 | 103.1 | V373 N377 | V373-V375 PolarHBondContact O-N 2.85Å; V373-V375 VanDerWaalsContact O-N 3.09Å; V375-N377 PolarHBondContact O-N 2.99Å; V375-N377 PolarHBondContact O-OD1 2.82Å | ||
| 376 | N | 60.3 | Low | 85.2 | Confident | 91 Ų | 91 | 81.8 Ų | 81.8 | 49% | 0.487 | 48% | 0.477 | S | S | . | . | trans | -70.9 | 85.2 | -162.7 | -86 | -52.5 | 0 | 0 | 0 | 103.5 | N374 M378 V379 | N374-N376 VanDerWaalsContact O-CA 3.23Å; N374-N376 WeakPolarHBondContact O-CA 3.34Å; N374-N376 PolarHBondContact O-N 2.94Å; N374-N376 PolarHBondContact O-OD1 2.87Å; N376-M378 HydrophobicContact CB-CB 4.15Å; N376-M378 PolarHBondContact O-N 3.41Å; N376-V379 PolarHBondContact O-N 2.98Å | ||
| 377 | N | 69.4 | Low | 85.1 | Confident | 98 Ų | 98 | 82.3 Ų | 82.3 | 52% | 0.524 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -14.9 | 172.3 | -70.2 | -22.6 | 0 | 0 | 0 | 107.5 | V375 V379 P380 I381 | V375-N377 PolarHBondContact O-N 2.99Å; V375-N377 PolarHBondContact O-OD1 2.82Å; N377-V379 PolarHBondContact O-N 2.96Å; N377-P380 VanDerWaalsContact O-CD 3.22Å; N377-P380 WeakPolarHBondContact O-CD 3.2Å; N377-P380 WeakPolarHBondContact O-CG 3.48Å; N377-I381 HydrophobicContact CB-CD1 3.86Å; N377-I381 HydrophobicContact CB-CG1 4.47Å; N377-I381 WeakPolarHBondContact O-CB 3.37Å; N377-I381 VanDerWaalsContact O-CD1 3.3Å; N377-I381 WeakPolarHBondContact O-CD1 3.4Å; N377-I381 WeakPolarHBondContact O-CG1 3.46Å; N377-I381 PolarHBondContact O-N 3.3Å |
| 378 | M | 79.4 | Confident | 85.1 | Confident | 142 Ų | 142 | 85.1 Ų | 85.1 | 70% | 0.7 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -43.7 | -37.7 | 161.3 | -160.2 | 169.4 | 82.9 | 0 | 0 | 114.4 | N376 G382 | N376-M378 HydrophobicContact CB-CB 4.15Å; N376-M378 PolarHBondContact O-N 3.41Å; M378-G382 WeakPolarHBondContact O-CA 3.43Å; M378-G382 PolarHBondContact O-N 3.44Å |
| 379 | V | 84.5 | Confident | 85.2 | Confident | 98 Ų | 98 | 84.9 Ų | 84.9 | 59% | 0.594 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -70.1 | -59.8 | 176.8 | 179.7 | 0 | 0 | 0 | 0 | 111.4 | N376 N377 I381 G382 V383 | N376-V379 PolarHBondContact O-N 2.98Å; N377-V379 PolarHBondContact O-N 2.96Å; V379-I381 VanDerWaalsContact C-N 3.3Å; V379-I381 PolarHBondContact O-N 3.34Å; V379-G382 PolarHBondContact O-N 2.95Å; V379-G382 VanDerWaalsContact O-N 3.13Å; V379-V383 WeakPolarHBondContact O-CG2 3.47Å; V379-V383 PolarHBondContact O-N 3.32Å |
| 380 | P | 88.1 | Confident | 85.4 | Confident | 82 Ų | 82 | 88.6 Ų | 88.6 | 53% | 0.532 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.3 | -34.5 | 177.2 | 21 | -31 | 0 | 0 | 0 | 113.1 | N377 V383 G384 | N377-P380 VanDerWaalsContact O-CD 3.22Å; N377-P380 WeakPolarHBondContact O-CD 3.2Å; N377-P380 WeakPolarHBondContact O-CG 3.48Å; P380-V383 PolarHBondContact O-N 2.83Å; P380-G384 PolarHBondContact O-N 2.87Å |
| 381 | I | 86.4 | Confident | 85.7 | Confident | 102 Ų | 102 | 86 Ų | 86 | 52% | 0.523 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64 | -44.9 | 173 | -67.1 | 165.9 | 0 | 0 | 0 | 110.1 | N377 V379 G384 I385 | N377-I381 HydrophobicContact CB-CD1 3.86Å; N377-I381 HydrophobicContact CB-CG1 4.47Å; N377-I381 WeakPolarHBondContact O-CB 3.37Å; N377-I381 VanDerWaalsContact O-CD1 3.3Å; N377-I381 WeakPolarHBondContact O-CD1 3.4Å; N377-I381 WeakPolarHBondContact O-CG1 3.46Å; N377-I381 PolarHBondContact O-N 3.3Å; V379-I381 VanDerWaalsContact C-N 3.3Å; V379-I381 PolarHBondContact O-N 3.34Å; I381-G384 PolarHBondContact O-N 2.93Å; I381-I385 HydrophobicContact CG2-CD1 3.92Å; I381-I385 WeakPolarHBondContact O-CG1 3.27Å; I381-I385 PolarHBondContact O-N 2.85Å |
| 382 | G | 90.5 | Very high | 86.3 | Confident | 37 Ų | 37 | 85.6 Ų | 85.6 | 38% | 0.381 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.6 | -43.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | M378 V379 I385 A386 | M378-G382 WeakPolarHBondContact O-CA 3.43Å; M378-G382 PolarHBondContact O-N 3.44Å; V379-G382 PolarHBondContact O-N 2.95Å; V379-G382 VanDerWaalsContact O-N 3.13Å; G382-I385 PolarHBondContact O-N 3.32Å; G382-A386 WeakPolarHBondContact O-CB 3.04Å; G382-A386 PolarHBondContact O-N 2.81Å |
| 383 | V | 94.4 | Very high | 86.8 | Confident | 82 Ų | 82 | 88.1 Ų | 88.1 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 174.6 | 175 | 0 | 0 | 0 | 0 | 110.8 | V379 P380 A386 L387 | V379-V383 WeakPolarHBondContact O-CG2 3.47Å; V379-V383 PolarHBondContact O-N 3.32Å; P380-V383 PolarHBondContact O-N 2.83Å; V383-A386 PolarHBondContact O-N 3.24Å; V383-L387 HydrophobicContact CG1-CD1 4.35Å; V383-L387 WeakPolarHBondContact O-CG 3.39Å; V383-L387 PolarHBondContact O-N 2.99Å |
| 384 | G | 95.1 | Very high | 87.8 | Confident | 30 Ų | 30 | 87.3 Ų | 87.3 | 31% | 0.309 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.7 | -48 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | P380 I381 L387 I388 | P380-G384 PolarHBondContact O-N 2.87Å; I381-G384 PolarHBondContact O-N 2.93Å; G384-L387 PolarHBondContact O-N 2.95Å; G384-I388 WeakPolarHBondContact O-CG1 3.31Å; G384-I388 PolarHBondContact O-N 3.42Å; G384-I388 VanDerWaalsContact O-N 3.11Å |
| 385 | I | 95.9 | Very high | 89.4 | Confident | 100 Ų | 100 | 84.7 Ų | 84.7 | 51% | 0.513 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.1 | -43 | 177.8 | -65.7 | 167.2 | 0 | 0 | 0 | 111.1 | I381 G382 L387 I388 V389 | I381-I385 HydrophobicContact CG2-CD1 3.92Å; I381-I385 WeakPolarHBondContact O-CG1 3.27Å; I381-I385 PolarHBondContact O-N 2.85Å; G382-I385 PolarHBondContact O-N 3.32Å; I385-L387 PolarHBondContact O-N 3.35Å; I385-I388 PolarHBondContact O-N 3.18Å; I385-V389 WeakPolarHBondContact O-CG2 3.24Å; I385-V389 PolarHBondContact O-N 3.03Å |
| 386 | A | 96.4 | Very high | 91.1 | Very high | 53 Ų | 53 | 82.7 Ų | 82.7 | 44% | 0.438 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.3 | -42.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G382 V383 V389 C390 | G382-A386 WeakPolarHBondContact O-CB 3.04Å; G382-A386 PolarHBondContact O-N 2.81Å; V383-A386 PolarHBondContact O-N 3.24Å; A386-V389 PolarHBondContact O-N 2.83Å; A386-C390 WeakPolarHBondContact O-CB 3.31Å; A386-C390 PolarHBondContact O-N 3.4Å; A386-C390 PolarHBondContact O-SG 2.85Å; A386-C390 VanDerWaalsContact O-SG 3.4Å |
| 387 | L | 97.1 | Very high | 92.8 | Very high | 105 Ų | 105 | 81.7 Ų | 81.7 | 55% | 0.55 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.9 | -43 | 175.7 | -76.4 | 178.8 | 0 | 0 | 0 | 112.2 | V383 G384 I385 V389 C390 I391 | V383-L387 HydrophobicContact CG1-CD1 4.35Å; V383-L387 WeakPolarHBondContact O-CG 3.39Å; V383-L387 PolarHBondContact O-N 2.99Å; G384-L387 PolarHBondContact O-N 2.95Å; I385-L387 PolarHBondContact O-N 3.35Å; L387-V389 VanDerWaalsContact C-N 3.35Å; L387-V389 PolarHBondContact O-N 2.94Å; L387-C390 PolarHBondContact O-N 2.82Å; L387-I391 VanDerWaalsContact O-CG1 3.24Å; L387-I391 WeakPolarHBondContact O-CG1 3.42Å; L387-I391 PolarHBondContact O-N 3.01Å |
| 388 | I | 96.5 | Very high | 94.1 | Very high | 104 Ų | 104 | 83.4 Ų | 83.4 | 53% | 0.533 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.2 | -45.9 | 176.8 | -67.9 | 167.7 | 0 | 0 | 0 | 110.5 | G384 I385 I391 V392 | G384-I388 WeakPolarHBondContact O-CG1 3.31Å; G384-I388 PolarHBondContact O-N 3.42Å; G384-I388 VanDerWaalsContact O-N 3.11Å; I385-I388 PolarHBondContact O-N 3.18Å; I388-I391 PolarHBondContact O-N 2.85Å; I388-V392 WeakPolarHBondContact O-CG2 3.48Å; I388-V392 PolarHBondContact O-N 2.71Å |
| 389 | V | 97.2 | Very high | 94.8 | Very high | 83 Ų | 83 | 81.1 Ų | 81.1 | 50% | 0.503 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 177.6 | 174.5 | 0 | 0 | 0 | 0 | 111.3 | I385 A386 L387 I391 V392 V393 | I385-V389 WeakPolarHBondContact O-CG2 3.24Å; I385-V389 PolarHBondContact O-N 3.03Å; A386-V389 PolarHBondContact O-N 2.83Å; L387-V389 VanDerWaalsContact C-N 3.35Å; L387-V389 PolarHBondContact O-N 2.94Å; V389-I391 VanDerWaalsContact C-N 3.33Å; V389-I391 PolarHBondContact O-N 3.28Å; V389-V392 PolarHBondContact O-N 3.2Å; V389-V393 HydrophobicContact CG1-CG2 4.42Å; V389-V393 WeakPolarHBondContact O-CG2 3.12Å; V389-V393 PolarHBondContact O-N 2.9Å |
| 390 | C | 97.5 | Very high | 95.3 | Very high | 82 Ų | 82 | 81 Ų | 81 | 55% | 0.554 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -59.5 | -41.8 | 175.9 | -76.5 | 0 | 0 | 0 | 0 | 112.4 | A386 L387 V393 A394 | A386-C390 WeakPolarHBondContact O-CB 3.31Å; A386-C390 PolarHBondContact O-N 3.4Å; A386-C390 PolarHBondContact O-SG 2.85Å; A386-C390 VanDerWaalsContact O-SG 3.4Å; L387-C390 PolarHBondContact O-N 2.82Å; C390-V393 PolarHBondContact O-N 3.44Å; C390-A394 VanDerWaalsContact O-CB 3.32Å; C390-A394 WeakPolarHBondContact O-CB 3.35Å; C390-A394 PolarHBondContact O-N 2.8Å |
| 391 | I | 97.7 | Very high | 95.5 | Very high | 97 Ų | 97 | 84 Ų | 84 | 50% | 0.497 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.2 | -46.5 | 177 | -69.4 | 164.7 | 0 | 0 | 0 | 110.6 | L387 I388 V389 V393 A394 I395 | L387-I391 VanDerWaalsContact O-CG1 3.24Å; L387-I391 WeakPolarHBondContact O-CG1 3.42Å; L387-I391 PolarHBondContact O-N 3.01Å; I388-I391 PolarHBondContact O-N 2.85Å; V389-I391 VanDerWaalsContact C-N 3.33Å; V389-I391 PolarHBondContact O-N 3.28Å; I391-V393 VanDerWaalsContact C-N 3.33Å; I391-V393 PolarHBondContact O-N 3.17Å; I391-A394 PolarHBondContact O-N 2.71Å; I391-I395 HydrophobicContact CG2-CD1 3.66Å; I391-I395 HydrophobicContact CG2-CG1 4.35Å; I391-I395 WeakPolarHBondContact O-CB 3.29Å; I391-I395 VanDerWaalsContact O-CG1 3.26Å; I391-I395 WeakPolarHBondContact O-CG1 3.28Å; I391-I395 PolarHBondContact O-N 3.31Å |
| 392 | V | 97.3 | Very high | 95.8 | Very high | 61 Ų | 61 | 82.4 Ų | 82.4 | 37% | 0.37 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.1 | -42.2 | 178.3 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | I388 V389 T396 | I388-V392 WeakPolarHBondContact O-CG2 3.48Å; I388-V392 PolarHBondContact O-N 2.71Å; V389-V392 PolarHBondContact O-N 3.2Å; V392-T396 WeakPolarHBondContact O-CB 3.28Å; V392-T396 PolarHBondContact O-N 3.46Å; V392-T396 PolarHBondContact O-OG1 3.3Å |
| 393 | V | 97.3 | Very high | 95.8 | Very high | 81 Ų | 81 | 86.4 Ų | 86.4 | 49% | 0.491 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.8 | -46.6 | 175.8 | 172.6 | 0 | 0 | 0 | 0 | 111 | V389 C390 I391 I395 T396 V397 | V389-V393 HydrophobicContact CG1-CG2 4.42Å; V389-V393 WeakPolarHBondContact O-CG2 3.12Å; V389-V393 PolarHBondContact O-N 2.9Å; C390-V393 PolarHBondContact O-N 3.44Å; I391-V393 VanDerWaalsContact C-N 3.33Å; I391-V393 PolarHBondContact O-N 3.17Å; V393-I395 VanDerWaalsContact C-N 3.34Å; V393-I395 PolarHBondContact O-N 3.5Å; V393-T396 PolarHBondContact O-N 3.43Å; V393-V397 HydrophobicContact CG1-CG2 4.31Å; V393-V397 WeakPolarHBondContact O-CB 3.44Å; V393-V397 VanDerWaalsContact O-CG2 3.28Å; V393-V397 WeakPolarHBondContact O-CG2 2.85Å; V393-V397 PolarHBondContact O-N 3.26Å |
| 394 | A | 97.7 | Very high | 95.4 | Very high | 60 Ų | 60 | 92 Ų | 92 | 50% | 0.496 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.7 | -43.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | C390 I391 V397 F398 | C390-A394 VanDerWaalsContact O-CB 3.32Å; C390-A394 WeakPolarHBondContact O-CB 3.35Å; C390-A394 PolarHBondContact O-N 2.8Å; I391-A394 PolarHBondContact O-N 2.71Å; A394-V397 PolarHBondContact O-N 3.27Å; A394-F398 VanDerWaalsContact O-CB 3.29Å; A394-F398 WeakPolarHBondContact O-CB 3.28Å; A394-F398 PolarHBondContact O-N 3.18Å |
| 395 | I | 97.7 | Very high | 94.9 | Very high | 71 Ų | 71 | 94.9 Ų | 94.9 | 36% | 0.364 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.7 | -46.5 | 175.3 | -69.2 | 169.2 | 0 | 0 | 0 | 110.7 | I391 V393 V397 F398 I399 | I391-I395 HydrophobicContact CG2-CD1 3.66Å; I391-I395 HydrophobicContact CG2-CG1 4.35Å; I391-I395 WeakPolarHBondContact O-CB 3.29Å; I391-I395 VanDerWaalsContact O-CG1 3.26Å; I391-I395 WeakPolarHBondContact O-CG1 3.28Å; I391-I395 PolarHBondContact O-N 3.31Å; V393-I395 VanDerWaalsContact C-N 3.34Å; V393-I395 PolarHBondContact O-N 3.5Å; I395-V397 VanDerWaalsContact C-N 3.34Å; I395-V397 PolarHBondContact O-N 3.35Å; I395-F398 PolarHBondContact O-N 3.45Å; I395-I399 HydrophobicContact CG2-CD1 3.7Å; I395-I399 HydrophobicContact CG2-CG1 4.37Å; I395-I399 VanDerWaalsContact O-CG1 3.27Å; I395-I399 WeakPolarHBondContact O-CG1 3.44Å; I395-I399 PolarHBondContact O-N 3.39Å |
| 396 | T | 96.3 | Very high | 94.2 | Very high | 78 Ų | 78 | 99.7 Ų | 99.7 | 48% | 0.479 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.6 | -44.9 | 179.9 | -56.5 | 0 | 0 | 0 | 0 | 111.2 | V392 V393 I399 V400 | V392-T396 WeakPolarHBondContact O-CB 3.28Å; V392-T396 PolarHBondContact O-N 3.46Å; V392-T396 PolarHBondContact O-OG1 3.3Å; V393-T396 PolarHBondContact O-N 3.43Å; T396-I399 PolarHBondContact O-N 3.1Å; T396-V400 WeakPolarHBondContact O-CG2 3.44Å; T396-V400 PolarHBondContact O-N 3.45Å |
| 397 | V | 96.8 | Very high | 93.3 | Very high | 69 Ų | 69 | 106 Ų | 106 | 42% | 0.418 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63 | -47.4 | 176.3 | 171.9 | 0 | 0 | 0 | 0 | 110.7 | V393 A394 I395 I399 V400 F401 | V393-V397 HydrophobicContact CG1-CG2 4.31Å; V393-V397 WeakPolarHBondContact O-CB 3.44Å; V393-V397 VanDerWaalsContact O-CG2 3.28Å; V393-V397 WeakPolarHBondContact O-CG2 2.85Å; V393-V397 PolarHBondContact O-N 3.26Å; A394-V397 PolarHBondContact O-N 3.27Å; I395-V397 VanDerWaalsContact C-N 3.34Å; I395-V397 PolarHBondContact O-N 3.35Å; V397-I399 VanDerWaalsContact C-N 3.33Å; V397-I399 PolarHBondContact O-N 2.82Å; V397-V400 PolarHBondContact O-N 2.9Å; V397-V400 VanDerWaalsContact O-N 3.17Å; V397-F401 HydrophobicContact CG1-CD2 3.47Å; V397-F401 VanDerWaalsContact CG1-CD2 3.47Å; V397-F401 HydrophobicContact CG1-CE2 3.54Å; V397-F401 WeakPolarHBondContact O-CD2 3.26Å; V397-F401 PolarHBondContact O-N 2.9Å |
| 398 | F | 96.3 | Very high | 92.2 | Very high | 134 Ų | 134 | 104.9 Ų | 104.9 | 59% | 0.588 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -57.5 | -43.5 | 177.3 | -180 | -104.4 | 0 | 0 | 0 | 112.4 | A394 I395 F401 N402 | A394-F398 VanDerWaalsContact O-CB 3.29Å; A394-F398 WeakPolarHBondContact O-CB 3.28Å; A394-F398 PolarHBondContact O-N 3.18Å; I395-F398 PolarHBondContact O-N 3.45Å; F398-F401 PolarHBondContact O-N 3.43Å; F398-N402 WeakPolarHBondContact CD1-ND2 3.28Å; F398-N402 WeakPolarHBondContact CE1-ND2 3.44Å; F398-N402 VanDerWaalsContact CE2-ND2 3.35Å; F398-N402 WeakPolarHBondContact CE2-ND2 3.28Å; F398-N402 WeakPolarHBondContact CZ-ND2 3.17Å; F398-N402 WeakPolarHBondContact O-CB 3.45Å; F398-N402 PolarHBondContact O-N 2.82Å; F398-N402 PolarHBondContact O-ND2 2.87Å |
| 399 | I | 94.9 | Very high | 91.2 | Very high | 94 Ų | 94 | 108.5 Ų | 108.5 | 48% | 0.482 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 176.5 | -68.5 | 168.1 | 0 | 0 | 0 | 111 | I395 T396 V397 K403 | I395-I399 HydrophobicContact CG2-CD1 3.7Å; I395-I399 HydrophobicContact CG2-CG1 4.37Å; I395-I399 VanDerWaalsContact O-CG1 3.27Å; I395-I399 WeakPolarHBondContact O-CG1 3.44Å; I395-I399 PolarHBondContact O-N 3.39Å; T396-I399 PolarHBondContact O-N 3.1Å; V397-I399 VanDerWaalsContact C-N 3.33Å; V397-I399 PolarHBondContact O-N 2.82Å; I399-K403 WeakPolarHBondContact O-CB 3.28Å; I399-K403 PolarHBondContact O-N 3.1Å |
| 400 | V | 93.5 | Very high | 90 | Very high | 96 Ų | 96 | 110 Ų | 110 | 58% | 0.582 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.7 | -44.3 | 179.1 | 172.3 | 0 | 0 | 0 | 0 | 111.6 | T396 V397 K403 R404 | T396-V400 WeakPolarHBondContact O-CG2 3.44Å; T396-V400 PolarHBondContact O-N 3.45Å; V397-V400 PolarHBondContact O-N 2.9Å; V397-V400 VanDerWaalsContact O-N 3.17Å; V400-K403 PolarHBondContact O-N 2.79Å; V400-R404 PolarHBondContact O-N 3.16Å |
| 401 | F | 93.1 | Very high | 88.6 | Confident | 145 Ų | 145 | 112.1 Ų | 112.1 | 64% | 0.636 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.3 | -45.6 | 177.2 | -90.5 | -79.3 | 0 | 0 | 0 | 112 | V397 F398 K403 R404 N405 | V397-F401 HydrophobicContact CG1-CD2 3.47Å; V397-F401 VanDerWaalsContact CG1-CD2 3.47Å; V397-F401 HydrophobicContact CG1-CE2 3.54Å; V397-F401 WeakPolarHBondContact O-CD2 3.26Å; V397-F401 PolarHBondContact O-N 2.9Å; F398-F401 PolarHBondContact O-N 3.43Å; F401-K403 VanDerWaalsContact C-N 3.31Å; F401-K403 PolarHBondContact O-N 3.21Å; F401-R404 PolarHBondContact O-N 3.36Å; F401-N405 PolarHBondContact O-N 3.25Å |
| 402 | N | 92 | Very high | 86.7 | Confident | 68 Ų | 68 | 118.6 Ų | 118.6 | 36% | 0.364 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -63.5 | -35.8 | 177 | -79.6 | -26 | 0 | 0 | 0 | 112.6 | F398 R404 N405 R406 | F398-N402 WeakPolarHBondContact CD1-ND2 3.28Å; F398-N402 WeakPolarHBondContact CE1-ND2 3.44Å; F398-N402 VanDerWaalsContact CE2-ND2 3.35Å; F398-N402 WeakPolarHBondContact CE2-ND2 3.28Å; F398-N402 WeakPolarHBondContact CZ-ND2 3.17Å; F398-N402 WeakPolarHBondContact O-CB 3.45Å; F398-N402 PolarHBondContact O-N 2.82Å; F398-N402 PolarHBondContact O-ND2 2.87Å; N402-R404 VanDerWaalsContact C-N 3.33Å; N402-R404 PolarHBondContact O-N 3.34Å; N402-N405 PolarHBondContact O-N 3.31Å; N402-R406 PolarHBondContact O-N 2.91Å |
| 403 | K | 90.2 | Very high | 86.2 | Confident | 121 Ų | 121 | 121.5 Ų | 121.5 | 53% | 0.526 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65.8 | -34.3 | 176.2 | -171.3 | 174.3 | -179.4 | 175.1 | 0 | 112.4 | I399 V400 F401 | I399-K403 WeakPolarHBondContact O-CB 3.28Å; I399-K403 PolarHBondContact O-N 3.1Å; V400-K403 PolarHBondContact O-N 2.79Å; F401-K403 VanDerWaalsContact C-N 3.31Å; F401-K403 PolarHBondContact O-N 3.21Å |
| 404 | R | 87.6 | Confident | 85.6 | Confident | 200 Ų | 200 | 123.6 Ų | 123.6 | 76% | 0.755 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -69.7 | -41.3 | 176.2 | -171.6 | 173.9 | 178.3 | 165.4 | -1.6 | 111.6 | V400 F401 N402 R406 R407 | V400-R404 PolarHBondContact O-N 3.16Å; F401-R404 PolarHBondContact O-N 3.36Å; N402-R404 VanDerWaalsContact C-N 3.33Å; N402-R404 PolarHBondContact O-N 3.34Å; R404-R406 VanDerWaalsContact C-N 3.29Å; R404-R406 PolarHBondContact O-N 3.12Å; R404-R407 PolarHBondContact O-N 3.01Å |
| 405 | N | 83.6 | Confident | 85 | Confident | 91 Ų | 91 | 127.2 Ų | 127.2 | 49% | 0.487 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -66.2 | -31.2 | -177.3 | -153.3 | 17.2 | 0 | 0 | 0 | 112.8 | F401 N402 R407 S408 Y409 | F401-N405 PolarHBondContact O-N 3.25Å; N402-N405 PolarHBondContact O-N 3.31Å; N405-R407 VanDerWaalsContact C-N 3.28Å; N405-R407 PolarHBondContact O-N 2.87Å; N405-S408 PolarHBondContact O-N 3.33Å; N405-Y409 WeakPolarHBondContact O-CD2 3.43Å |
| 406 | R | 81.9 | Confident | 84.2 | Confident | 200 Ų | 200 | 130.5 Ų | 130.5 | 76% | 0.755 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -66.9 | -23.9 | 175.8 | -72.2 | -170.9 | 179 | -168.7 | 0.6 | 114.3 | N402 R404 S408 | N402-R406 PolarHBondContact O-N 2.91Å; R404-R406 VanDerWaalsContact C-N 3.29Å; R404-R406 PolarHBondContact O-N 3.12Å; R406-S408 VanDerWaalsContact C-N 3.31Å; R406-S408 PolarHBondContact O-N 3.27Å |
| 407 | R | 77.9 | Confident | 83.4 | Confident | 187 Ų | 187 | 133.8 Ų | 133.8 | 71% | 0.706 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -74.1 | -21.8 | -179.9 | -70.9 | -175.1 | 177.3 | 173.5 | -1.9 | 113.2 | R404 N405 Y409 | R404-R407 PolarHBondContact O-N 3.01Å; N405-R407 VanDerWaalsContact C-N 3.28Å; N405-R407 PolarHBondContact O-N 2.87Å; R407-Y409 VanDerWaalsContact C-N 3.32Å; R407-Y409 PolarHBondContact O-N 3.47Å |
| 408 | S | 73.3 | Confident | 82.6 | Confident | 81 Ų | 81 | 138.1 Ų | 138.1 | 57% | 0.566 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -15 | -177.1 | -58.2 | 0 | 0 | 0 | 0 | 113.8 | N405 R406 | N405-S408 PolarHBondContact O-N 3.33Å; R406-S408 VanDerWaalsContact C-N 3.31Å; R406-S408 PolarHBondContact O-N 3.27Å |
| 409 | Y | 75.8 | Confident | 81.6 | Confident | 179 Ų | 179 | 138.4 Ų | 138.4 | 70% | 0.702 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | 3.1 | -176.6 | -64.7 | -74.5 | 0 | 0 | 0 | 114.5 | N405 R407 | N405-Y409 WeakPolarHBondContact O-CD2 3.43Å; R407-Y409 VanDerWaalsContact C-N 3.32Å; R407-Y409 PolarHBondContact O-N 3.47Å |
| 410 | T | 70.9 | Confident | 80.5 | Confident | 115 Ų | 115 | 141.8 Ų | 141.8 | 71% | 0.706 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -102.5 | 17.2 | -178.7 | -34 | 0 | 0 | 0 | 0 | 113.5 | ||
| 411 | T | 68.9 | Low | 79.5 | Confident | 127 Ų | 127 | 145.6 Ų | 145.6 | 78% | 0.779 | 68% | 0.683 | S | S | * | * | trans | -125.6 | 26.1 | -179.6 | 45.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 412 | L | 58.5 | Low | 78.2 | Confident | 233 Ų | 233 | 145.6 Ų | 145.6 | 100% | 1.22 | 69% | 0.688 | S | S | * | * | trans | -117.1 | 0 | 161.4 | -91.4 | 147.7 | 0 | 0 | 0 | 107.7 |
Retrieved 412 of 412 residues in 277.6 ms
(Link to these results)