| 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 | 56.3 | Low | 64.3 | Low | 243 Ų | 243 | 123.7 Ų | 123.7 | 100% | 1.197 | 68% | 0.676 | S | S | * | * | 0 | 50.1 | 0 | -64.9 | -159.8 | -75.3 | 0 | 0 | 112.1 | |||||
| 2 | A | 56.6 | Low | 64.8 | Low | 85 Ų | 85 | 124.5 Ų | 124.5 | 70% | 0.702 | 67% | 0.669 | S | S | * | * | trans | -110.4 | -13.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 3 | N | 59 | Low | 65.1 | Low | 130 Ų | 130 | 122.1 Ų | 122.1 | 70% | 0.695 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -86.1 | -23.5 | -175.1 | -77.6 | -29 | 0 | 0 | 0 | 114.5 | W7 | N3-W7 PolarHBondContact O-N 3.36Å |
| 4 | L | 60.7 | Low | 65 | Low | 148 Ų | 148 | 117.1 Ų | 117.1 | 78% | 0.775 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -72.4 | -35.9 | 179.3 | -99.2 | 95 | 0 | 0 | 0 | 112.9 | M8 | L4-M8 WeakPolarHBondContact O-CG 3.29Å; L4-M8 PolarHBondContact O-N 3.46Å |
| 5 | G | 64.3 | Low | 64.8 | Low | 47 Ų | 47 | 115.6 Ų | 115.6 | 49% | 0.485 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -68.1 | -35.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | M8 L9 | G5-M8 PolarHBondContact O-N 2.71Å; G5-L9 PolarHBondContact O-N 3.21Å |
| 6 | C | 63.4 | Low | 64.4 | Low | 76 Ų | 76 | 119.4 Ų | 119.4 | 51% | 0.514 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -67.6 | -39.7 | 179.3 | -162 | 0 | 0 | 0 | 0 | 111.7 | M8 L9 V10 | C6-M8 PolarHBondContact O-N 3.33Å; C6-L9 PolarHBondContact O-N 3.18Å; C6-V10 WeakPolarHBondContact O-CG2 3.33Å; C6-V10 PolarHBondContact O-N 3.11Å; C6-V10 VanDerWaalsContact O-N 3.16Å |
| 7 | W | 69.6 | Low | 63.6 | Low | 186 Ų | 186 | 117.1 Ų | 117.1 | 71% | 0.705 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -65.8 | -37.1 | 176.2 | -89.4 | 86.1 | 0 | 0 | 0 | 113.2 | N3 V10 L11 | N3-W7 PolarHBondContact O-N 3.36Å; W7-V10 PolarHBondContact O-N 3.33Å; W7-L11 WeakPolarHBondContact O-CG 3.32Å; W7-L11 PolarHBondContact O-N 2.87Å; W7-L11 VanDerWaalsContact O-N 3.13Å |
| 8 | M | 71.2 | Confident | 63 | Low | 135 Ų | 135 | 118.4 Ų | 118.4 | 67% | 0.665 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -68.5 | -36.4 | 177.4 | -67 | -63.1 | -107.7 | 0 | 0 | 112.2 | L4 G5 C6 L11 F12 | L4-M8 WeakPolarHBondContact O-CG 3.29Å; L4-M8 PolarHBondContact O-N 3.46Å; G5-M8 PolarHBondContact O-N 2.71Å; C6-M8 PolarHBondContact O-N 3.33Å; M8-L11 PolarHBondContact O-N 3.41Å; M8-F12 WeakPolarHBondContact O-CB 3.45Å; M8-F12 PolarHBondContact O-N 3.03Å |
| 9 | L | 68.9 | Low | 62.4 | Low | 120 Ų | 120 | 120.1 Ų | 120.1 | 63% | 0.628 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -66.9 | -39.2 | 175.3 | -78.7 | 167.1 | 0 | 0 | 0 | 112.3 | G5 C6 F12 V13 | G5-L9 PolarHBondContact O-N 3.21Å; C6-L9 PolarHBondContact O-N 3.18Å; L9-F12 PolarHBondContact O-N 3.12Å; L9-V13 WeakPolarHBondContact O-CG2 3.28Å; L9-V13 PolarHBondContact O-N 3.46Å |
| 10 | V | 70.4 | Confident | 61.9 | Low | 91 Ų | 91 | 116.9 Ų | 116.9 | 55% | 0.552 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -64.5 | -42.3 | 176.4 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | C6 W7 F12 V13 A14 | C6-V10 WeakPolarHBondContact O-CG2 3.33Å; C6-V10 PolarHBondContact O-N 3.11Å; C6-V10 VanDerWaalsContact O-N 3.16Å; W7-V10 PolarHBondContact O-N 3.33Å; V10-F12 VanDerWaalsContact C-N 3.32Å; V10-F12 PolarHBondContact O-N 2.79Å; V10-V13 PolarHBondContact O-N 3.19Å; V10-A14 WeakPolarHBondContact O-CB 3.23Å; V10-A14 PolarHBondContact O-N 3.48Å |
| 11 | L | 67.4 | Low | 61.5 | Low | 100 Ų | 100 | 119.4 Ų | 119.4 | 52% | 0.524 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -65.2 | -36.5 | 176 | -70.9 | 172.3 | 0 | 0 | 0 | 112.3 | W7 M8 T15 | W7-L11 WeakPolarHBondContact O-CG 3.32Å; W7-L11 PolarHBondContact O-N 2.87Å; W7-L11 VanDerWaalsContact O-N 3.13Å; M8-L11 PolarHBondContact O-N 3.41Å; L11-T15 PolarHBondContact O-N 2.74Å; L11-T15 VanDerWaalsContact O-N 3.13Å; L11-T15 PolarHBondContact O-OG1 3.21Å |
| 12 | F | 70.3 | Confident | 61 | Low | 133 Ų | 133 | 114.3 Ų | 114.3 | 58% | 0.583 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -70.8 | -38 | 178.4 | -151.6 | -93.3 | 0 | 0 | 0 | 112.2 | M8 L9 V10 T15 W16 | M8-F12 WeakPolarHBondContact O-CB 3.45Å; M8-F12 PolarHBondContact O-N 3.03Å; L9-F12 PolarHBondContact O-N 3.12Å; V10-F12 VanDerWaalsContact C-N 3.32Å; V10-F12 PolarHBondContact O-N 2.79Å; F12-T15 PolarHBondContact O-OG1 3.33Å; F12-W16 AromaticContact CE1-NE1 3.7Å; F12-W16 AromaticContact CZ-NE1 3.79Å |
| 13 | V | 68.8 | Low | 60.4 | Low | 93 Ų | 93 | 120 Ų | 120 | 56% | 0.564 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -72.9 | -37.5 | 176.2 | 175.5 | 0 | 0 | 0 | 0 | 111.4 | L9 V10 W16 S17 | L9-V13 WeakPolarHBondContact O-CG2 3.28Å; L9-V13 PolarHBondContact O-N 3.46Å; V10-V13 PolarHBondContact O-N 3.19Å; V13-W16 PolarHBondContact O-N 2.94Å; V13-S17 PolarHBondContact O-N 3.16Å; V13-S17 PolarHBondContact O-OG 3.31Å |
| 14 | A | 63.3 | Low | 59.4 | Low | 52 Ų | 52 | 123.2 Ų | 123.2 | 43% | 0.43 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -64.4 | -42.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V10 W16 S17 | V10-A14 WeakPolarHBondContact O-CB 3.23Å; V10-A14 PolarHBondContact O-N 3.48Å; A14-W16 VanDerWaalsContact C-N 3.31Å; A14-W16 PolarHBondContact O-N 2.78Å; A14-S17 PolarHBondContact O-N 3.32Å |
| 15 | T | 61.2 | Low | 58.9 | Low | 95 Ų | 95 | 128 Ų | 128 | 58% | 0.583 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -69.6 | -25.1 | -178.6 | 34.9 | 0 | 0 | 0 | 0 | 114.1 | L11 F12 | L11-T15 PolarHBondContact O-N 2.74Å; L11-T15 VanDerWaalsContact O-N 3.13Å; L11-T15 PolarHBondContact O-OG1 3.21Å; F12-T15 PolarHBondContact O-OG1 3.33Å |
| 16 | W | 58.4 | Low | 57.7 | Low | 176 Ų | 176 | 131.4 Ų | 131.4 | 67% | 0.667 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -90.5 | -17.1 | 177.3 | -76.9 | 75.6 | 0 | 0 | 0 | 113.6 | F12 V13 A14 D18 | F12-W16 AromaticContact CE1-NE1 3.7Å; F12-W16 AromaticContact CZ-NE1 3.79Å; V13-W16 PolarHBondContact O-N 2.94Å; A14-W16 VanDerWaalsContact C-N 3.31Å; A14-W16 PolarHBondContact O-N 2.78Å; W16-D18 VanDerWaalsContact C-N 3.29Å; W16-D18 PolarHBondContact O-N 2.93Å |
| 17 | S | 52.2 | Low | 56.9 | Low | 81 Ų | 81 | 137.5 Ų | 137.5 | 57% | 0.566 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -74.7 | -18.4 | 178.8 | -59.3 | 0 | 0 | 0 | 0 | 113.1 | V13 A14 | V13-S17 PolarHBondContact O-N 3.16Å; V13-S17 PolarHBondContact O-OG 3.31Å; A14-S17 PolarHBondContact O-N 3.32Å |
| 18 | D | 52.4 | Low | 55.7 | Low | 141 Ų | 141 | 134.5 Ų | 134.5 | 75% | 0.754 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | 4.2 | -177.8 | -84.1 | -64 | 0 | 0 | 0 | 115.4 | W16 G20 | W16-D18 VanDerWaalsContact C-N 3.29Å; W16-D18 PolarHBondContact O-N 2.93Å; D18-G20 VanDerWaalsContact C-N 3.3Å |
| 19 | L | 51.1 | Low | 54 | Low | 150 Ų | 150 | 132.3 Ų | 132.3 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | 5.4 | 170.1 | -63.8 | 177.7 | 0 | 0 | 0 | 113 | ||
| 20 | G | 53.6 | Low | 52.5 | Low | 56 Ų | 56 | 129.6 Ų | 129.6 | 58% | 0.577 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -102.4 | 20.1 | -170.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | D18 | D18-G20 VanDerWaalsContact C-N 3.3Š|
| 21 | L | 51.7 | Low | 50.7 | Low | 169 Ų | 169 | 136.2 Ų | 136.2 | 89% | 0.885 | 74% | 0.735 | S | S | * | * | trans | -166.6 | 85.7 | 172.8 | -104.6 | 137.1 | 0 | 0 | 0 | 113.6 | ||||
| 22 | C | 46.5 | Very low | 49.2 | Very low | 136 Ų | 136 | 139.7 Ų | 139.7 | 92% | 0.919 | 75% | 0.753 | S | S | * | * | trans | -156.3 | 70.3 | 145.7 | -97.9 | 0 | 0 | 0 | 0 | 110.6 | K24 | C22-K24 PolarHBondContact O-N 2.95Š| ||
| 23 | K | 44.6 | Very low | 47.8 | Very low | 206 Ų | 206 | 139.3 Ų | 139.3 | 90% | 0.896 | 76% | 0.762 | S | S | * | * | trans | -73.7 | 104.6 | 159.5 | -173.3 | 164 | -176.5 | 170 | 0 | 108.1 | ||||
| 24 | K | 37.5 | Very low | 46.2 | Very low | 196 Ų | 196 | 138.4 Ų | 138.4 | 85% | 0.852 | 77% | 0.771 | S | S | * | * | trans | -175 | 103.4 | 146.4 | -104.6 | 173 | -170.8 | -176.7 | 0 | 110.9 | C22 | C22-K24 PolarHBondContact O-N 2.95Š| ||
| 25 | R | 50.5 | Low | 45 | Very low | 248 Ų | 248 | 139.2 Ų | 139.2 | 94% | 0.936 | 79% | 0.785 | S | S | * | * | trans | -67.4 | 141 | 147.1 | -81 | -176.4 | 175.4 | -175.7 | -0.5 | 108 | ||||
| 26 | P | 39.5 | Very low | 43.9 | Very low | 120 Ų | 120 | 139.4 Ų | 139.4 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | -120.3 | 113.7 | 146.5 | 31.5 | -18.9 | 0 | 0 | 0 | 109.8 | ||||
| 27 | K | 45.5 | Very low | 42.9 | Very low | 203 Ų | 203 | 141.9 Ų | 141.9 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | trans | -149.5 | 147.7 | 146.5 | -88.9 | -178.4 | -180 | 168.7 | 0 | 105.2 | ||||
| 28 | P | 44.8 | Very low | 42.1 | Very low | 124 Ų | 124 | 148.5 Ų | 148.5 | 81% | 0.805 | 81% | 0.814 | S | S | * | * | cis | -128.4 | 143.5 | 3.6 | 35.2 | -17.3 | 0 | 0 | 0 | 112.9 | ||||
| 29 | G | 35.5 | Very low | 41.4 | Very low | 89 Ų | 89 | 148 Ų | 148 | 92% | 0.918 | 82% | 0.818 | S | S | * | * | trans | -89.3 | 112.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 30 | G | 37.1 | Very low | 40.7 | Very low | 63 Ų | 63 | 143.9 Ų | 143.9 | 65% | 0.649 | 81% | 0.812 | S | S | * | * | trans | -99.2 | 168.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 31 | W | 31.9 | Very low | 39.6 | Very low | 230 Ų | 230 | 151 Ų | 151 | 87% | 0.871 | 83% | 0.83 | S | S | * | * | trans | 81.4 | 101.8 | 163.8 | -63.4 | 58.5 | 0 | 0 | 0 | 117.5 | ||||
| 32 | N | 37.1 | Very low | 38.6 | Very low | 172 Ų | 172 | 146.7 Ų | 146.7 | 92% | 0.92 | 83% | 0.826 | S | S | * | * | trans | -139.8 | 104.3 | 133.8 | -93.2 | -63.6 | 0 | 0 | 0 | 109.1 | ||||
| 33 | T | 41.1 | Very low | 38.1 | Very low | 126 Ų | 126 | 146 Ų | 146 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | trans | -94.9 | 134.4 | 167.1 | -47.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 34 | G | 35.2 | Very low | 38 | Very low | 73 Ų | 73 | 142.4 Ų | 142.4 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | trans | 116.1 | 117.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 35 | G | 37.8 | Very low | 37.7 | Very low | 70 Ų | 70 | 137 Ų | 137 | 72% | 0.722 | 82% | 0.82 | S | S | * | * | cis | 100.7 | 120.1 | 36.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 36 | S | 37.3 | Very low | 36.7 | Very low | 98 Ų | 98 | 128.9 Ų | 128.9 | 69% | 0.685 | 81% | 0.814 | S | S | * | * | trans | 103.9 | 141.3 | 177.9 | -57.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 37 | R | 37.7 | Very low | 36.8 | Very low | 228 Ų | 228 | 130.7 Ų | 130.7 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | cis | -168.6 | 146 | -1.7 | -108.4 | 163.4 | -132.5 | -170.7 | -0.2 | 106 | ||||
| 38 | Y | 35.5 | Very low | 36.1 | Very low | 220 Ų | 220 | 132.8 Ų | 132.8 | 86% | 0.863 | 82% | 0.819 | S | S | * | * | trans | -47.5 | 149.8 | 162.8 | -81.4 | -105.4 | 0 | 0 | 0 | 112.6 | ||||
| 39 | P | 38.2 | Very low | 35.6 | Very low | 131 Ų | 131 | 137.4 Ų | 137.4 | 85% | 0.851 | 82% | 0.822 | S | S | * | * | trans | -83.9 | 108.2 | 151 | 30.4 | -21.5 | 0 | 0 | 0 | 108.4 | ||||
| 40 | G | 35.2 | Very low | 36.2 | Very low | 63 Ų | 63 | 138.8 Ų | 138.8 | 65% | 0.649 | 82% | 0.815 | S | S | * | * | trans | -93.9 | 156.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 41 | Q | 32 | Very low | 36.9 | Very low | 207 Ų | 207 | 140.4 Ų | 140.4 | 97% | 0.967 | 81% | 0.814 | S | S | * | * | trans | 161.5 | 128.7 | 146.8 | -99 | 173.6 | 3.8 | 0 | 0 | 107.7 | ||||
| 42 | G | 29.6 | Very low | 37.1 | Very low | 77 Ų | 77 | 138.8 Ų | 138.8 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | cis | -169.9 | 154.6 | 1 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 43 | S | 36.1 | Very low | 36.7 | Very low | 122 Ų | 122 | 134.6 Ų | 134.6 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | trans | -89.8 | 148 | 164.5 | -104.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 44 | P | 43.4 | Very low | 36.1 | Very low | 131 Ų | 131 | 132.4 Ų | 132.4 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | -147.3 | 138.8 | 92.6 | 35 | -16.7 | 0 | 0 | 0 | 115.7 | |||||
| 45 | G | 31.1 | Very low | 36 | Very low | 82 Ų | 82 | 132.7 Ų | 132.7 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | trans | 107 | 131.3 | 139.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 46 | G | 29.8 | Very low | 35.5 | Very low | 78 Ų | 78 | 133 Ų | 133 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | 126.5 | 94.2 | 143 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 47 | N | 41.6 | Very low | 35.3 | Very low | 158 Ų | 158 | 140.7 Ų | 140.7 | 85% | 0.845 | 84% | 0.837 | S | S | * | * | trans | -53.2 | 141.6 | 159.2 | -75 | 0.6 | 0 | 0 | 0 | 112.3 | ||||
| 48 | R | 30.1 | Very low | 34.9 | Very low | 246 Ų | 246 | 133.6 Ų | 133.6 | 93% | 0.928 | 84% | 0.835 | S | S | * | * | trans | -178.7 | 115.4 | 138.9 | -97.2 | 159.6 | -150.8 | -170.3 | 6.5 | 112 | ||||
| 49 | Y | 34.7 | Very low | 35.4 | Very low | 222 Ų | 222 | 132.2 Ų | 132.2 | 87% | 0.871 | 84% | 0.836 | S | S | * | * | trans | -60.1 | 167.1 | 155.5 | -90.2 | -81.9 | 0 | 0 | 0 | 111 | ||||
| 50 | P | 47.6 | Very low | 36 | Very low | 117 Ų | 117 | 131 Ų | 131 | 76% | 0.76 | 83% | 0.828 | S | S | * | * | -154.3 | -156.3 | 56.7 | 44.2 | -18.7 | 0 | 0 | 0 | 115.3 | |||||
| 51 | P | 51.8 | Low | 35.9 | Very low | 98 Ų | 98 | 137 Ų | 137 | 64% | 0.636 | 84% | 0.839 | S | S | * | * | -138 | 175.3 | -89.7 | 43.6 | -24.3 | 0 | 0 | 0 | 116.9 | |||||
| 52 | Q | 35.4 | Very low | 35.8 | Very low | 195 Ų | 195 | 130.8 Ų | 130.8 | 91% | 0.911 | 83% | 0.83 | S | S | * | * | trans | 64.2 | 132.4 | 138 | -83.9 | 176.6 | 4 | 0 | 0 | 125.2 | ||||
| 53 | G | 28.8 | Very low | 35.9 | Very low | 84 Ų | 84 | 131.3 Ų | 131.3 | 87% | 0.866 | 84% | 0.835 | S | S | * | * | trans | 120.1 | 125 | 135.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 54 | G | 29.5 | Very low | 35.6 | Very low | 80 Ų | 80 | 129 Ų | 129 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | cis | -177 | 157.3 | 6.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 55 | G | 32.9 | Very low | 34.9 | Very low | 80 Ų | 80 | 135.2 Ų | 135.2 | 83% | 0.825 | 84% | 0.837 | S | S | * | * | trans | -71.4 | 165.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 56 | G | 26.9 | Very low | 34.9 | Very low | 76 Ų | 76 | 134.6 Ų | 134.6 | 78% | 0.784 | 83% | 0.831 | S | S | * | * | trans | -167 | 131.1 | 174 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 57 | W | 32.6 | Very low | 35.6 | Very low | 259 Ų | 259 | 139.4 Ų | 139.4 | 98% | 0.981 | 83% | 0.833 | S | S | * | * | trans | -109.8 | 141.5 | -163.9 | -42.4 | 57.3 | 0 | 0 | 0 | 107.5 | ||||
| 58 | G | 31.3 | Very low | 35.7 | Very low | 80 Ų | 80 | 137.9 Ų | 137.9 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | trans | 130.5 | 110.5 | 160.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 59 | Q | 44 | Very low | 35.9 | Very low | 191 Ų | 191 | 135 Ų | 135 | 89% | 0.893 | 83% | 0.828 | S | S | * | * | trans | -93.1 | 163.5 | 139.1 | -66.9 | 170.9 | 4.4 | 0 | 0 | 106.4 | ||||
| 60 | P | 52.3 | Low | 35.7 | Very low | 105 Ų | 105 | 128.2 Ų | 128.2 | 68% | 0.682 | 83% | 0.826 | S | S | * | * | cis | -144.5 | -167.2 | 22.3 | 25.5 | 3.2 | 0 | 0 | 0 | 115.3 | ||||
| 61 | H | 33.1 | Very low | 35.2 | Very low | 190 Ų | 190 | 126.7 Ų | 126.7 | 88% | 0.88 | 83% | 0.832 | S | S | * | * | trans | 76.7 | 137.3 | 170.9 | -58 | -102.1 | 0 | 0 | 0 | 116.2 | ||||
| 62 | G | 29.3 | Very low | 34.2 | Very low | 76 Ų | 76 | 125.2 Ų | 125.2 | 78% | 0.784 | 83% | 0.834 | S | S | * | * | cis | 158.8 | 155.2 | 8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 63 | G | 32.1 | Very low | 34.1 | Very low | 87 Ų | 87 | 128.1 Ų | 128.1 | 90% | 0.897 | 84% | 0.837 | S | S | * | * | trans | 97.7 | 115.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 64 | G | 29.3 | Very low | 34.4 | Very low | 73 Ų | 73 | 127.7 Ų | 127.7 | 75% | 0.753 | 83% | 0.833 | S | S | * | * | trans | -109.2 | -177.2 | -173 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 65 | W | 28.4 | Very low | 34.8 | Very low | 262 Ų | 262 | 132.2 Ų | 132.2 | 99% | 0.992 | 83% | 0.832 | S | S | * | * | trans | 169.2 | 125.7 | 157.7 | 46.3 | -9 | 0 | 0 | 0 | 109.3 | ||||
| 66 | G | 31.9 | Very low | 35.4 | Very low | 70 Ų | 70 | 134.6 Ų | 134.6 | 72% | 0.722 | 83% | 0.833 | S | S | * | * | trans | 134.3 | 71.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 67 | Q | 43.6 | Very low | 35.7 | Very low | 179 Ų | 179 | 140 Ų | 140 | 84% | 0.836 | 84% | 0.838 | S | S | * | * | trans | 32.9 | 127.9 | 147.5 | -62.6 | 155.6 | 23.9 | 0 | 0 | 120 | ||||
| 68 | P | 43.4 | Very low | 35.8 | Very low | 125 Ų | 125 | 131.4 Ų | 131.4 | 81% | 0.812 | 83% | 0.829 | S | S | * | * | -121.1 | 143.2 | 115.3 | 33.3 | -29.8 | 0 | 0 | 0 | 112.6 | |||||
| 69 | H | 35.3 | Very low | 36 | Very low | 185 Ų | 185 | 131.5 Ų | 131.5 | 86% | 0.856 | 83% | 0.83 | S | S | * | * | trans | -41.3 | 134.5 | 164.3 | -71.1 | -140.5 | 0 | 0 | 0 | 109.8 | ||||
| 70 | G | 31.3 | Very low | 35.2 | Very low | 81 Ų | 81 | 125.4 Ų | 125.4 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | cis | 119.6 | 85.5 | 26.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 71 | G | 35.2 | Very low | 34.6 | Very low | 85 Ų | 85 | 133 Ų | 133 | 88% | 0.876 | 83% | 0.834 | S | S | * | * | trans | 146.8 | 103.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 72 | G | 30.9 | Very low | 34.6 | Very low | 66 Ų | 66 | 126.7 Ų | 126.7 | 68% | 0.68 | 82% | 0.821 | S | S | * | * | cis | 137.1 | 76.6 | 28.5 | 0 | 0 | 0 | 0 | 0 | 106.1 | G74 | G72-G74 PolarHBondContact O-N 3.31Å; G72-G74 VanDerWaalsContact O-N 3.16Å | ||
| 73 | W | 35.3 | Very low | 35.1 | Very low | 256 Ų | 256 | 132 Ų | 132 | 97% | 0.97 | 83% | 0.825 | S | S | * | * | trans | -42.3 | 105.4 | 164.2 | 35.1 | 28.2 | 0 | 0 | 0 | 113 | ||||
| 74 | G | 33.3 | Very low | 35.8 | Very low | 76 Ų | 76 | 133.6 Ų | 133.6 | 78% | 0.784 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 124.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | G72 | G72-G74 PolarHBondContact O-N 3.31Å; G72-G74 VanDerWaalsContact O-N 3.16Å |
| 75 | Q | 38.4 | Very low | 35.9 | Very low | 175 Ų | 175 | 139.7 Ų | 139.7 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 161.8 | 177 | -76.5 | 153.7 | -2.7 | 0 | 0 | 113.1 | H77 | Q75-H77 PolarHBondContact O-N 2.91Š|
| 76 | P | 46 | Very low | 36.2 | Very low | 129 Ų | 129 | 130.7 Ų | 130.7 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 120.1 | -167.9 | 32.4 | -30.9 | 0 | 0 | 0 | 111 | G78 | P76-G78 PolarHBondContact O-N 3.25Š|
| 77 | H | 32.5 | Very low | 36.3 | Very low | 190 Ų | 190 | 131.4 Ų | 131.4 | 88% | 0.88 | 82% | 0.824 | S | S | * | * | trans | -84.8 | 105.9 | 166.1 | -90.3 | -102.1 | 0 | 0 | 0 | 109.5 | Q75 | Q75-H77 PolarHBondContact O-N 2.91Š| ||
| 78 | G | 35.1 | Very low | 35.5 | Very low | 78 Ų | 78 | 126.1 Ų | 126.1 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | -71.1 | 142.5 | 155.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | P76 | P76-G78 PolarHBondContact O-N 3.25Š| ||
| 79 | G | 34.7 | Very low | 35 | Very low | 82 Ų | 82 | 132.4 Ų | 132.4 | 85% | 0.845 | 83% | 0.826 | S | S | * | * | trans | 160.4 | 111.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 80 | G | 28.6 | Very low | 34.9 | Very low | 64 Ų | 64 | 127 Ų | 127 | 66% | 0.66 | 82% | 0.819 | S | S | * | * | 111.4 | 73 | 62 | 0 | 0 | 0 | 0 | 0 | 108.4 | G82 | G80-G82 PolarHBondContact O-N 3.14Å; G80-G82 VanDerWaalsContact O-N 3.11Å | |||
| 81 | W | 38.7 | Very low | 35 | Very low | 265 Ų | 265 | 132.9 Ų | 132.9 | 100% | 1.004 | 83% | 0.825 | S | S | * | * | trans | -35 | 105.2 | 151.9 | 48.8 | -40.6 | 0 | 0 | 0 | 112.6 | ||||
| 82 | G | 34.2 | Very low | 34.7 | Very low | 57 Ų | 57 | 132.7 Ų | 132.7 | 59% | 0.588 | 82% | 0.823 | S | S | * | * | trans | 144.4 | 107.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | G80 | G80-G82 PolarHBondContact O-N 3.14Å; G80-G82 VanDerWaalsContact O-N 3.11Å | ||
| 83 | Q | 39.2 | Very low | 34.8 | Very low | 187 Ų | 187 | 133.7 Ų | 133.7 | 87% | 0.874 | 83% | 0.834 | S | S | * | * | 161.7 | 144 | 111.7 | -84.2 | 156.4 | 29 | 0 | 0 | 113.2 | |||||
| 84 | P | 46.1 | Very low | 34.6 | Very low | 121 Ų | 121 | 124.6 Ų | 124.6 | 79% | 0.786 | 82% | 0.82 | S | S | * | * | trans | -89.9 | 129.2 | -176.3 | 35.1 | -29.4 | 0 | 0 | 0 | 111 | G86 | P84-G86 PolarHBondContact O-N 3.22Š| ||
| 85 | H | 32.9 | Very low | 35.3 | Very low | 200 Ų | 200 | 128 Ų | 128 | 93% | 0.926 | 83% | 0.825 | S | S | * | * | trans | -87.9 | 96.1 | 166.9 | -102.4 | -106.5 | 0 | 0 | 0 | 109.7 | ||||
| 86 | G | 33.7 | Very low | 35.6 | Very low | 73 Ų | 73 | 128.7 Ų | 128.7 | 75% | 0.753 | 83% | 0.828 | S | S | * | * | trans | -86.4 | 141.6 | 156.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | P84 | P84-G86 PolarHBondContact O-N 3.22Š| ||
| 87 | G | 34.1 | Very low | 35.3 | Very low | 85 Ų | 85 | 127.4 Ų | 127.4 | 88% | 0.876 | 82% | 0.822 | S | S | * | * | trans | 159.3 | 117.7 | 160 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 88 | G | 26.5 | Very low | 35.9 | Very low | 69 Ų | 69 | 127.6 Ų | 127.6 | 71% | 0.711 | 82% | 0.823 | S | S | * | * | trans | 136.8 | 69.1 | 154 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 89 | W | 33.5 | Very low | 36.2 | Very low | 257 Ų | 257 | 132.5 Ų | 132.5 | 97% | 0.973 | 82% | 0.818 | S | S | * | * | trans | -36.7 | 136 | 153.6 | 48.4 | -60 | 0 | 0 | 0 | 116.8 | ||||
| 90 | G | 32 | Very low | 36.8 | Very low | 70 Ų | 70 | 135.6 Ų | 135.6 | 72% | 0.722 | 82% | 0.815 | S | S | * | * | trans | 165.5 | 95.8 | 160.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 91 | Q | 33.7 | Very low | 37.3 | Very low | 205 Ų | 205 | 142.1 Ų | 142.1 | 96% | 0.958 | 83% | 0.825 | S | S | * | * | trans | 85.7 | 128.1 | 148.8 | -55.6 | -168 | 35.2 | 0 | 0 | 122 | ||||
| 92 | G | 29.1 | Very low | 37.7 | Very low | 81 Ų | 81 | 134.2 Ų | 134.2 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | trans | 113.1 | 106.2 | 142.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 93 | G | 32.3 | Very low | 38.6 | Very low | 88 Ų | 88 | 137 Ų | 137 | 91% | 0.907 | 82% | 0.818 | S | S | * | * | trans | -68.6 | 167 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 94 | G | 31.7 | Very low | 39.1 | Very low | 65 Ų | 65 | 136 Ų | 136 | 67% | 0.67 | 81% | 0.811 | S | S | * | * | trans | 131.1 | 101.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | H96 | G94-H96 VanDerWaalsContact C-N 3.33Å; G94-H96 PolarHBondContact O-N 2.98Å | ||
| 95 | T | 47.5 | Very low | 39.8 | Very low | 147 Ų | 147 | 135.8 Ų | 135.8 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -58.9 | 89.8 | 165.1 | -4.6 | 0 | 0 | 0 | 0 | 109.6 | ||
| 96 | H | 44.5 | Very low | 41 | Very low | 190 Ų | 190 | 135.2 Ų | 135.2 | 88% | 0.88 | 80% | 0.804 | S | S | * | * | trans | 172.9 | 74.6 | 155.3 | -98.1 | 161.9 | 0 | 0 | 0 | 109.6 | G94 Q98 | G94-H96 VanDerWaalsContact C-N 3.33Å; G94-H96 PolarHBondContact O-N 2.98Å; H96-Q98 PolarHBondContact O-N 2.78Å | ||
| 97 | S | 41.4 | Very low | 42.1 | Very low | 102 Ų | 102 | 136.6 Ų | 136.6 | 71% | 0.713 | 80% | 0.798 | S | S | * | * | trans | -93.2 | 78.5 | 172.1 | -48.4 | 0 | 0 | 0 | 0 | 109.1 | W99 | S97-W99 PolarHBondContact O-N 2.78Š| ||
| 98 | Q | 43.5 | Very low | 43 | Very low | 193 Ų | 193 | 139.5 Ų | 139.5 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | -56 | 104 | 164.1 | -173.8 | 178.6 | 18.9 | 0 | 0 | 107.4 | H96 N100 | H96-Q98 PolarHBondContact O-N 2.78Å; Q98-N100 PolarHBondContact O-N 2.95Å | ||
| 99 | W | 42.2 | Very low | 44 | Very low | 181 Ų | 181 | 142.1 Ų | 142.1 | 69% | 0.686 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -56 | 136.4 | -168.8 | -103.3 | 82.2 | 0 | 0 | 0 | 112.4 | S97 K101 N171 | S97-W99 PolarHBondContact O-N 2.78Å; W99-K101 PolarHBondContact O-N 2.94Å; W99-N171 WeakPolarHBondContact CZ2-ND2 3.43Å |
| 100 | N | 47.5 | Very low | 44.8 | Very low | 147 Ų | 147 | 140.1 Ų | 140.1 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 128.5 | 175.2 | -75 | -44.6 | 0 | 0 | 0 | 110.7 | Q98 P102 | Q98-N100 PolarHBondContact O-N 2.95Å; N100-P102 WeakPolarHBondContact O-CD 3.44Å |
| 101 | K | 39 | Very low | 45.7 | Very low | 201 Ų | 201 | 144 Ų | 144 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 120.7 | -175.7 | -69.4 | 155.9 | 179.9 | 170.1 | 0 | 111.4 | W99 | W99-K101 PolarHBondContact O-N 2.94Š|
| 102 | P | 47 | Very low | 46.2 | Very low | 99 Ų | 99 | 143.7 Ų | 143.7 | 64% | 0.643 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 145.4 | 162.7 | -18 | 30.3 | 0 | 0 | 0 | 109.1 | N100 K104 | N100-P102 WeakPolarHBondContact O-CD 3.44Å; P102-K104 PolarHBondContact O-N 3.15Å |
| 103 | S | 54 | Low | 47.2 | Very low | 115 Ų | 115 | 144.3 Ų | 144.3 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -47.6 | 128.1 | 166.7 | 48.3 | 0 | 0 | 0 | 0 | 109 | ||
| 104 | K | 49 | Very low | 47.3 | Very low | 168 Ų | 168 | 144 Ų | 144 | 73% | 0.73 | 78% | 0.781 | S | S | * | * | trans | -31.7 | 116.6 | -171.4 | -69.7 | 176.1 | -178.6 | 176.6 | 0 | 112.1 | P102 K106 | P102-K104 PolarHBondContact O-N 3.15Å; K104-K106 PolarHBondContact O-N 3.35Å | ||
| 105 | P | 61 | Low | 47.9 | Very low | 116 Ų | 116 | 144.9 Ų | 144.9 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -70.3 | 119.4 | 174.7 | 27.8 | -30.7 | 0 | 0 | 0 | 108.1 | ||
| 106 | K | 58.6 | Low | 47.4 | Very low | 187 Ų | 187 | 142.7 Ų | 142.7 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | S | Bend | trans | 78.8 | 142.6 | 179.3 | -61.1 | 166.9 | 179 | 168.5 | 0 | 114.9 | K104 | K104-K106 PolarHBondContact O-N 3.35Š|
| 107 | T | 57 | Low | 47 | Very low | 102 Ų | 102 | 138.4 Ų | 138.4 | 63% | 0.626 | 78% | 0.777 | S | S | * | * | trans | -49.9 | 155.8 | 171.2 | 53.6 | 0 | 0 | 0 | 0 | 109.7 | M109 | T107-M109 PolarHBondContact O-N 2.95Š| ||
| 108 | N | 53 | Low | 46.7 | Very low | 146 Ų | 146 | 137.6 Ų | 137.6 | 78% | 0.781 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -61.9 | 13.3 | -174.6 | -64.5 | -70.6 | 0 | 0 | 0 | 115.2 | ||
| 109 | M | 46.7 | Very low | 46.2 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 61% | 0.611 | 77% | 0.772 | S | S | * | * | trans | -100.7 | 100 | 173.7 | -59 | -170.5 | -64 | 0 | 0 | 109 | T107 H111 | T107-M109 PolarHBondContact O-N 2.95Å; M109-H111 PolarHBondContact O-N 3.36Å | ||
| 110 | K | 49.4 | Very low | 46.3 | Very low | 216 Ų | 216 | 126.1 Ų | 126.1 | 94% | 0.939 | 76% | 0.761 | S | S | * | * | trans | -65.6 | 101.6 | 169.7 | -73.1 | 178.7 | 178.2 | -179.4 | 0 | 108.4 | ||||
| 111 | H | 50.9 | Low | 46 | Very low | 152 Ų | 152 | 125.8 Ų | 125.8 | 70% | 0.704 | 76% | 0.764 | S | S | * | * | trans | -76.1 | 130.8 | 167.4 | -76.3 | -82.2 | 0 | 0 | 0 | 109.4 | M109 A113 | M109-H111 PolarHBondContact O-N 3.36Å; H111-A113 PolarHBondContact O-N 3.48Å | ||
| 112 | M | 44.2 | Very low | 46.4 | Very low | 197 Ų | 197 | 117.6 Ų | 117.6 | 97% | 0.97 | 73% | 0.73 | S | S | * | * | trans | -69.2 | 101.3 | 166.6 | -73.2 | -172.7 | -176.7 | 0 | 0 | 108 | ||||
| 113 | A | 51.3 | Low | 46.7 | Very low | 95 Ų | 95 | 115.3 Ų | 115.3 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | trans | -89.3 | 104.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | H111 | H111-A113 PolarHBondContact O-N 3.48Š| ||
| 114 | G | 34.8 | Very low | 47 | Very low | 81 Ų | 81 | 113.2 Ų | 113.2 | 84% | 0.835 | 72% | 0.721 | S | S | * | * | trans | -84.2 | 110.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 115 | A | 43.4 | Very low | 47.7 | Very low | 83 Ų | 83 | 107.3 Ų | 107.3 | 69% | 0.686 | 70% | 0.697 | S | S | * | * | trans | -96.5 | 118.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | A117 | A115-A117 PolarHBondContact O-N 3.13Š| ||
| 116 | A | 36.5 | Very low | 48.2 | Very low | 101 Ų | 101 | 104.6 Ų | 104.6 | 84% | 0.835 | 69% | 0.69 | S | S | * | * | trans | -73.1 | 106.6 | 161.9 | 0 | 0 | 0 | 0 | 0 | 106.3 | A118 | A116-A118 PolarHBondContact O-N 3.29Š| ||
| 117 | A | 37.5 | Very low | 49.2 | Very low | 101 Ų | 101 | 98.3 Ų | 98.3 | 84% | 0.835 | 68% | 0.679 | S | S | * | * | trans | -66.7 | 87.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108 | A115 G119 | A115-A117 PolarHBondContact O-N 3.13Å; A117-G119 PolarHBondContact O-N 3.43Å | ||
| 118 | A | 35.3 | Very low | 50.4 | Low | 85 Ų | 85 | 95.2 Ų | 95.2 | 70% | 0.702 | 66% | 0.656 | S | S | * | * | trans | -68.5 | 96.7 | 159.1 | 0 | 0 | 0 | 0 | 0 | 105.3 | A116 A120 | A116-A118 PolarHBondContact O-N 3.29Å; A118-A120 PolarHBondContact O-N 2.98Å | ||
| 119 | G | 32.9 | Very low | 52 | Low | 78 Ų | 78 | 92.1 Ų | 92.1 | 80% | 0.804 | 64% | 0.638 | S | S | * | * | trans | -62.9 | 75.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | A117 V121 | A117-G119 PolarHBondContact O-N 3.43Å; G119-V121 PolarHBondContact O-N 2.96Å | ||
| 120 | A | 42.5 | Very low | 53.9 | Low | 55 Ų | 55 | 89 Ų | 89 | 46% | 0.455 | 62% | 0.623 | S | S | . | * | trans | -78.5 | 111.5 | 167 | 0 | 0 | 0 | 0 | 0 | 105.6 | A118 V122 | A118-A120 PolarHBondContact O-N 2.98Å; A120-V122 HydrophobicContact CB-CG2 3.59Å; A120-V122 WeakPolarHBondContact O-CG2 3.37Å; A120-V122 PolarHBondContact O-N 3.47Å | ||
| 121 | V | 41.6 | Very low | 55.6 | Low | 140 Ų | 140 | 78.9 Ų | 78.9 | 85% | 0.848 | 58% | 0.58 | S | S | * | * | trans | -66.3 | 86.4 | 163.2 | -176.1 | 0 | 0 | 0 | 0 | 105.6 | G119 G123 | G119-V121 PolarHBondContact O-N 2.96Å; V121-G123 PolarHBondContact O-N 2.82Å | ||
| 122 | V | 48 | Very low | 57.2 | Low | 28 Ų | 28 | 75.2 Ų | 75.2 | 17% | 0.17 | 57% | 0.572 | C | S | . | * | trans | -82.9 | 114.2 | -178.7 | -179.7 | 0 | 0 | 0 | 0 | 108.4 | A120 G124 L125 L130 Y162 | A120-V122 HydrophobicContact CB-CG2 3.59Å; A120-V122 WeakPolarHBondContact O-CG2 3.37Å; A120-V122 PolarHBondContact O-N 3.47Å; V122-G124 VanDerWaalsContact C-N 3.26Å; V122-G124 PolarHBondContact O-N 3.16Å; V122-G124 VanDerWaalsContact O-N 3.08Å; V122-L125 PolarHBondContact O-N 2.79Å; V122-L125 VanDerWaalsContact O-N 3.15Å; V122-L130 HydrophobicContact CG2-CD2 4.43Å; V122-Y162 HydrophobicContact CB-CD1 4.34Å; V122-Y162 HydrophobicContact CB-CE1 3.33Å; V122-Y162 HydrophobicContact CG1-CD1 4.41Å; V122-Y162 HydrophobicContact CG1-CE1 3.34Å; V122-Y162 HydrophobicContact CG1-CE2 4.21Å; V122-Y162 WeakPolarHBondContact CG1-OH 2.9Å; V122-Y162 HydrophobicContact CG2-CE1 3.48Å; V122-Y162 VanDerWaalsContact CG2-CE1 3.48Å; V122-Y162 WeakPolarHBondContact CG2-OH 3.29Å | ||
| 123 | G | 53.4 | Low | 59.1 | Low | 52 Ų | 52 | 69 Ų | 69 | 54% | 0.536 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 62.2 | 25.1 | 160.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | V121 L125 | V121-G123 PolarHBondContact O-N 2.82Å; G123-L125 PolarHBondContact O-N 3.14Å |
| 124 | G | 60.4 | Low | 60.7 | Low | 70 Ų | 70 | 66.1 Ų | 66.1 | 72% | 0.722 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.1 | 12.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | V122 G126 | V122-G124 VanDerWaalsContact C-N 3.26Å; V122-G124 PolarHBondContact O-N 3.16Å; V122-G124 VanDerWaalsContact O-N 3.08Å; G124-G126 PolarHBondContact O-N 3.22Å; G124-G126 VanDerWaalsContact O-N 3.12Å |
| 125 | L | 63.8 | Low | 63 | Low | 44 Ų | 44 | 67.8 Ų | 67.8 | 23% | 0.23 | 52% | 0.521 | C | S | . | . | trans | -80.4 | 91.8 | 176.1 | -76.8 | 172 | 0 | 0 | 0 | 110.2 | V122 G123 G127 Y128 I182 Q186 | V122-L125 PolarHBondContact O-N 2.79Å; V122-L125 VanDerWaalsContact O-N 3.15Å; G123-L125 PolarHBondContact O-N 3.14Å; L125-G127 PolarHBondContact O-N 3Å; L125-Y128 HydrophobicContact CB-CD2 3.78Å; L125-Y128 HydrophobicContact CB-CG 4.37Å; L125-Y128 HydrophobicContact CD2-CD2 4.23Å; L125-Y128 HydrophobicContact CD2-CE2 4.15Å; L125-Y128 HydrophobicContact CG-CD2 4.42Å; L125-I182 HydrophobicContact CD1-CG2 3.43Å; L125-I182 VanDerWaalsContact CD1-CG2 3.43Å; L125-I182 HydrophobicContact CD2-CD1 4.25Å; L125-Q186 HydrophobicContact CD1-CG 3.2Å; L125-Q186 HydrophobicContact CG-CG 4.33Å | ||
| 126 | G | 71.3 | Confident | 64.9 | Low | 59 Ų | 59 | 67.7 Ų | 67.7 | 61% | 0.608 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 130.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | G124 Y128 R164 | G124-G126 PolarHBondContact O-N 3.22Å; G124-G126 VanDerWaalsContact O-N 3.12Å; G126-Y128 WeakPolarHBondContact O-CD2 3.43Å; G126-Y128 PolarHBondContact O-N 3.4Å; G126-R164 PolarHBondContact O-NH2 2.74Å |
| 127 | G | 78.9 | Confident | 67 | Low | 55 Ų | 55 | 64.4 Ų | 64.4 | 57% | 0.567 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.9 | -5.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | L125 | L125-G127 PolarHBondContact O-N 3Š|
| 128 | Y | 82.9 | Confident | 69.2 | Low | 37 Ų | 37 | 64.1 Ų | 64.1 | 15% | 0.145 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -89.9 | 134.2 | 176.1 | -68.9 | -92.8 | 0 | 0 | 0 | 111.2 | L125 G126 R164 D178 I182 | L125-Y128 HydrophobicContact CB-CD2 3.78Å; L125-Y128 HydrophobicContact CB-CG 4.37Å; L125-Y128 HydrophobicContact CD2-CD2 4.23Å; L125-Y128 HydrophobicContact CD2-CE2 4.15Å; L125-Y128 HydrophobicContact CG-CD2 4.42Å; G126-Y128 WeakPolarHBondContact O-CD2 3.43Å; G126-Y128 PolarHBondContact O-N 3.4Å; Y128-R164 HydrophobicContact CD1-CG 3.51Å; Y128-R164 HydrophobicContact CD2-CG 4.41Å; Y128-R164 HydrophobicContact CE1-CG 3.57Å; Y128-R164 HydrophobicContact CG-CG 3.96Å; Y128-D178 PolarHBondContact OH-OD2 3.43Å; Y128-D178 VanDerWaalsContact OH-OD2 3.1Å; Y128-I182 HydrophobicContact CD1-CG1 4.44Å; Y128-I182 HydrophobicContact CD1-CG2 3.93Å; Y128-I182 HydrophobicContact CE1-CB 4.16Å; Y128-I182 HydrophobicContact CE1-CD1 4.29Å; Y128-I182 HydrophobicContact CE1-CG1 3.66Å; Y128-I182 HydrophobicContact CE1-CG2 4Å; Y128-I182 HydrophobicContact CE2-CD1 4.33Å; Y128-I182 HydrophobicContact CG-CG2 4.3Å |
| 129 | M | 85.8 | Confident | 71.5 | Confident | 82 Ų | 82 | 61 Ų | 61 | 40% | 0.404 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 150.2 | 173.3 | -64 | 177.7 | -68.1 | 0 | 0 | 109.7 | Y162 Y163 P165 | M129-Y162 WeakPolarHBondContact O-CA 3.4Å; M129-Y163 HydrophobicContact CB-CE1 4.21Å; M129-Y163 HydrophobicContact CE-CD2 4.44Å; M129-Y163 HydrophobicContact CE-CE2 3.87Å; M129-Y163 PolarHBondContact N-O 2.64Å; M129-Y163 PolarHBondContact O-N 3.49Å; M129-P165 HydrophobicContact CE-CB 4.47Å; M129-P165 HydrophobicContact CE-CG 3.59Å |
| 130 | L | 87.2 | Confident | 74 | Confident | 57 Ų | 57 | 63.7 Ų | 63.7 | 30% | 0.298 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 123.2 | 173.5 | -173.7 | 54.4 | 0 | 0 | 0 | 109.6 | V122 Q160 Y162 | V122-L130 HydrophobicContact CG2-CD2 4.43Å; L130-Q160 HydrophobicContact CD1-CB 3.56Å; L130-Q160 HydrophobicContact CG-CB 4.16Å; L130-Q160 VanDerWaalsContact CG-OE1 3.31Å; L130-Y162 HydrophobicContact CB-CD1 4.36Å; L130-Y162 HydrophobicContact CB-CE1 3.94Å; L130-Y162 HydrophobicContact CD1-CD1 4.03Å; L130-Y162 HydrophobicContact CD1-CD2 4.22Å; L130-Y162 HydrophobicContact CD1-CE1 3.59Å; L130-Y162 HydrophobicContact CD1-CE2 3.87Å; L130-Y162 HydrophobicContact CD1-CG 4.31Å; L130-Y162 VanDerWaalsContact CD1-CZ 3.48Å; L130-Y162 HydrophobicContact CD2-CE1 4.34Å; L130-Y162 HydrophobicContact CG-CE1 4.16Å |
| 131 | G | 85.6 | Confident | 76 | Confident | 4 Ų | 4 | 62.7 Ų | 62.7 | 4% | 0.041 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 169.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q160 V161 | G131-Q160 PolarHBondContact O-OE1 3.31Å; G131-V161 PolarHBondContact N-O 2.99Å |
| 132 | S | 84.3 | Confident | 77.9 | Confident | 76 Ų | 76 | 60 Ų | 60 | 53% | 0.531 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 150.5 | 175.5 | -65.2 | 0 | 0 | 0 | 0 | 110.8 | M134 | S132-M134 PolarHBondContact O-N 2.75Å; S132-M134 VanDerWaalsContact O-N 3.14Å |
| 133 | A | 84.3 | Confident | 79.8 | Confident | 66 Ų | 66 | 60.5 Ų | 60.5 | 55% | 0.545 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -64 | 116.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | N159 Q160 | A133-N159 CarbonylContact C-O 3.58Å; A133-N159 WeakPolarHBondContact CA-O 3.49Å; A133-Q160 VanDerWaalsContact CA-CG 3.43Å; A133-Q160 HydrophobicContact CB-CG 3.81Å |
| 134 | M | 85.1 | Confident | 81.5 | Confident | 34 Ų | 34 | 65 Ų | 65 | 17% | 0.167 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -97.4 | 152 | 178.2 | -71.9 | 178.6 | -100.6 | 0 | 0 | 110.3 | S132 R136 N159 V161 M213 T216 Q217 | S132-M134 PolarHBondContact O-N 2.75Å; S132-M134 VanDerWaalsContact O-N 3.14Å; M134-R136 PolarHBondContact O-N 3.08Å; M134-N159 PolarHBondContact N-O 3.2Å; M134-V161 HydrophobicContact CE-CG1 4.44Å; M134-V161 HydrophobicContact CE-CG2 3.7Å; M134-M213 HydrophobicContact CB-CG 4.38Å; M134-M213 HydrophobicContact CB-SD 4.37Å; M134-M213 HydrophobicContact CE-CB 3.86Å; M134-M213 WeakPolarHBondContact CE-O 3.28Å; M134-M213 HydrophobicContact SD-CB 4.07Å; M134-M213 HydrophobicContact SD-CG 4.35Å; M134-T216 HydrophobicContact SD-CG2 3.98Å; M134-Q217 HydrophobicContact CE-CB 4.25Å |
| 135 | S | 83.4 | Confident | 82.8 | Confident | 117 Ų | 117 | 69.4 Ų | 69.4 | 82% | 0.818 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 133.8 | 167.8 | -67.4 | 0 | 0 | 0 | 0 | 108.6 | P137 | S135-P137 WeakPolarHBondContact O-CD 3.41Š|
| 136 | R | 82.1 | Confident | 84 | Confident | 80 Ų | 80 | 68.9 Ų | 68.9 | 30% | 0.302 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 123.1 | -177.6 | -68.1 | -173.3 | 178.1 | 129.1 | -14.5 | 110 | M134 M154 H155 Y157 | M134-R136 PolarHBondContact O-N 3.08Å; R136-M154 VanDerWaalsContact CD-O 3.24Å; R136-M154 WeakPolarHBondContact CD-O 3.39Å; R136-M154 PolarHBondContact NE-O 2.79Å; R136-M154 PolarHBondContact NH1-O 3.43Å; R136-M154 PolarHBondContact NH2-O 3.28Å; R136-H155 VanDerWaalsContact NH1-CA 3.31Å; R136-H155 VanDerWaalsContact NH2-C 3.31Å; R136-H155 PolarHBondContact NH2-O 2.82Å; R136-Y157 PolarHBondContact NE-O 3.43Å; R136-Y157 PolarHBondContact NH2-O 2.75Å |
| 137 | P | 81.1 | Confident | 84.8 | Confident | 32 Ų | 32 | 67.2 Ų | 67.2 | 21% | 0.208 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 140.1 | 179.4 | 26.1 | -33.5 | 0 | 0 | 0 | 110.2 | S135 I139 Y150 V209 Q212 M213 | S135-P137 WeakPolarHBondContact O-CD 3.41Å; P137-I139 HydrophobicContact CB-CD1 3.91Å; P137-I139 HydrophobicContact CG-CD1 4.09Å; P137-I139 PolarHBondContact O-N 3.31Å; P137-Y150 WeakPolarHBondContact O-CE1 3.24Å; P137-Y150 PolarHBondContact O-OH 3.46Å; P137-V209 HydrophobicContact CG-CG1 3.89Å; P137-Q212 HydrophobicContact CB-CB 4.24Å; P137-Q212 HydrophobicContact CG-CB 3.96Å; P137-M213 HydrophobicContact CG-CG 4.38Å |
| 138 | I | 82.8 | Confident | 85.3 | Confident | 96 Ų | 96 | 72.3 Ų | 72.3 | 49% | 0.492 | 39% | 0.393 | S | S | . | . | trans | -81.2 | 111.5 | 169.2 | -58.8 | -59.8 | 0 | 0 | 0 | 107 | ||||
| 139 | I | 84.4 | Confident | 85.7 | Confident | 20 Ų | 20 | 72.6 Ų | 72.6 | 10% | 0.103 | 39% | 0.394 | C | S | . | . | trans | -100.1 | 133.3 | 179.1 | -52.7 | -58.7 | 0 | 0 | 0 | 108.6 | P137 F141 R208 V209 Q212 | P137-I139 HydrophobicContact CB-CD1 3.91Å; P137-I139 HydrophobicContact CG-CD1 4.09Å; P137-I139 PolarHBondContact O-N 3.31Å; I139-F141 HydrophobicContact CB-CD2 4.32Å; I139-F141 HydrophobicContact CB-CE2 3.64Å; I139-F141 HydrophobicContact CB-CZ 3.83Å; I139-F141 HydrophobicContact CG2-CD1 4.3Å; I139-F141 HydrophobicContact CG2-CD2 4.07Å; I139-F141 HydrophobicContact CG2-CE1 3.94Å; I139-F141 HydrophobicContact CG2-CE2 3.67Å; I139-F141 HydrophobicContact CG2-CG 4.37Å; I139-F141 HydrophobicContact CG2-CZ 3.59Å; I139-R208 HydrophobicContact CG2-CB 4.22Å; I139-V209 HydrophobicContact CG1-CG2 3.76Å; I139-Q212 HydrophobicContact CD1-CB 4.37Å; I139-Q212 HydrophobicContact CD1-CG 3.59Å | ||
| 140 | H | 85.5 | Confident | 85.9 | Confident | 133 Ų | 133 | 68.7 Ų | 68.7 | 62% | 0.616 | 38% | 0.375 | S | S | * | . | trans | -96.3 | 117.2 | 168.5 | -68 | -62.5 | 0 | 0 | 0 | 108.9 | D147 | H140-D147 WeakPolarHBondContact CA-OD1 3.37Å; H140-D147 IonicContact CE1-OD2 3.57Å; H140-D147 IonicContact CG-OD2 3.92Å; H140-D147 IonicContact ND1-OD2 2.74Å; H140-D147 PolarHBondContact ND1-OD2 3.37Å | ||
| 141 | F | 83.4 | Confident | 86 | Confident | 35 Ų | 35 | 72.9 Ų | 72.9 | 15% | 0.154 | 39% | 0.387 | C | S | . | . | trans | -92.2 | -5.7 | -178.8 | -67.7 | -86.7 | 0 | 0 | 0 | 112.7 | I139 S143 E146 D147 Y150 M205 R208 | I139-F141 HydrophobicContact CB-CD2 4.32Å; I139-F141 HydrophobicContact CB-CE2 3.64Å; I139-F141 HydrophobicContact CB-CZ 3.83Å; I139-F141 HydrophobicContact CG2-CD1 4.3Å; I139-F141 HydrophobicContact CG2-CD2 4.07Å; I139-F141 HydrophobicContact CG2-CE1 3.94Å; I139-F141 HydrophobicContact CG2-CE2 3.67Å; I139-F141 HydrophobicContact CG2-CG 4.37Å; I139-F141 HydrophobicContact CG2-CZ 3.59Å; F141-S143 VanDerWaalsContact C-N 3.32Å; F141-E146 HydrophobicContact CB-CB 3.54Å; F141-E146 HydrophobicContact CB-CG 4.35Å; F141-E146 HydrophobicContact CD2-CB 4.35Å; F141-E146 HydrophobicContact CG-CB 4.06Å; F141-D147 PolarHBondContact N-OD1 2.97Å; F141-Y150 HydrophobicContact CE2-CD1 4.19Å; F141-Y150 AromaticContact CE2-CD2 3.92Å; F141-Y150 HydrophobicContact CE2-CD2 3.92Å; F141-Y150 AromaticContact CE2-CG 3.66Å; F141-Y150 HydrophobicContact CE2-CG 3.66Å; F141-Y150 HydrophobicContact CZ-CD2 4.28Å; F141-Y150 HydrophobicContact CZ-CG 4.46Å; F141-M205 HydrophobicContact CE1-CB 4.33Å; F141-M205 HydrophobicContact CE1-CG 3.9Å; F141-M205 HydrophobicContact CE2-CG 4.17Å; F141-M205 HydrophobicContact CZ-CB 3.91Å; F141-M205 HydrophobicContact CZ-CG 3.67Å; F141-R208 HydrophobicContact CE1-CB 3.91Å; F141-R208 HydrophobicContact CE1-CG 3.79Å; F141-R208 HydrophobicContact CZ-CB 4.24Å | ||
| 142 | G | 82.8 | Confident | 86.2 | Confident | 82 Ų | 82 | 78.2 Ų | 78.2 | 85% | 0.845 | 41% | 0.411 | S | S | * | . | S | Bend | trans | 84.8 | 5.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 143 | S | 88.2 | Confident | 86.5 | Confident | 40 Ų | 40 | 75.9 Ų | 75.9 | 28% | 0.28 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -132.2 | 136.2 | 169 | 75.1 | 0 | 0 | 0 | 0 | 110.7 | F141 Y145 E146 D147 | F141-S143 VanDerWaalsContact C-N 3.32Å; S143-Y145 PolarHBondContact O-N 3.14Å; S143-E146 PolarHBondContact O-N 2.74Å; S143-E146 WeakPolarHBondContact OG-CB 3.45Å; S143-E146 WeakPolarHBondContact OG-CG 3.35Å; S143-E146 PolarHBondContact OG-N 3.35Å; S143-E146 VanDerWaalsContact OG-N 3.14Å; S143-E146 PolarHBondContact OG-OE2 3.34Å; S143-D147 PolarHBondContact O-N 3.5Å |
| 144 | D | 88 | Confident | 86.6 | Confident | 145 Ų | 145 | 75.6 Ų | 75.6 | 78% | 0.775 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -59.7 | -29.1 | 178.5 | -66.7 | -64.2 | 0 | 0 | 0 | 112.3 | R148 | D144-R148 WeakPolarHBondContact O-CB 3.37Å; D144-R148 PolarHBondContact O-N 2.92Å; D144-R148 VanDerWaalsContact O-N 3.11Å |
| 145 | Y | 88.4 | Confident | 86.8 | Confident | 163 Ų | 163 | 79.7 Ų | 79.7 | 64% | 0.639 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -69.3 | -50.7 | 176.2 | 178.1 | -95.3 | 0 | 0 | 0 | 111.9 | S143 D147 R148 Y149 | S143-Y145 PolarHBondContact O-N 3.14Å; Y145-D147 VanDerWaalsContact C-N 3.34Å; Y145-D147 PolarHBondContact O-N 2.83Å; Y145-R148 PolarHBondContact O-N 3.17Å; Y145-Y149 VanDerWaalsContact O-CB 3.28Å; Y145-Y149 WeakPolarHBondContact O-CB 3.34Å; Y145-Y149 PolarHBondContact O-N 2.92Å |
| 146 | E | 88.6 | Confident | 87.1 | Confident | 33 Ų | 33 | 76.6 Ų | 76.6 | 15% | 0.154 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.3 | -38.8 | 178.8 | -74.2 | 172.7 | 118.6 | 0 | 0 | 111.3 | F141 S143 R148 Y149 Y150 K204 M205 | F141-E146 HydrophobicContact CB-CB 3.54Å; F141-E146 HydrophobicContact CB-CG 4.35Å; F141-E146 HydrophobicContact CD2-CB 4.35Å; F141-E146 HydrophobicContact CG-CB 4.06Å; S143-E146 PolarHBondContact O-N 2.74Å; S143-E146 WeakPolarHBondContact OG-CB 3.45Å; S143-E146 WeakPolarHBondContact OG-CG 3.35Å; S143-E146 PolarHBondContact OG-N 3.35Å; S143-E146 VanDerWaalsContact OG-N 3.14Å; S143-E146 PolarHBondContact OG-OE2 3.34Å; E146-R148 VanDerWaalsContact C-N 3.35Å; E146-R148 PolarHBondContact O-N 2.88Å; E146-Y149 PolarHBondContact O-N 3.16Å; E146-Y150 WeakPolarHBondContact O-CB 3.16Å; E146-Y150 PolarHBondContact O-N 3.46Å; E146-K204 IonicContact OE1-NZ 2.95Å; E146-K204 PolarHBondContact OE1-NZ 3Å; E146-M205 HydrophobicContact CB-CE 3.71Å; E146-M205 HydrophobicContact CG-CE 3.93Å; E146-M205 VanDerWaalsContact O-CE 3.3Å; E146-M205 WeakPolarHBondContact O-CE 3.37Å |
| 147 | D | 88.6 | Confident | 87.4 | Confident | 24 Ų | 24 | 72.9 Ų | 72.9 | 13% | 0.128 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.3 | -40.3 | 176.8 | -83.6 | 26.2 | 0 | 0 | 0 | 111.9 | H140 F141 S143 Y145 R151 | H140-D147 WeakPolarHBondContact CA-OD1 3.37Å; H140-D147 IonicContact CE1-OD2 3.57Å; H140-D147 IonicContact CG-OD2 3.92Å; H140-D147 IonicContact ND1-OD2 2.74Å; H140-D147 PolarHBondContact ND1-OD2 3.37Å; F141-D147 PolarHBondContact N-OD1 2.97Å; S143-D147 PolarHBondContact O-N 3.5Å; Y145-D147 VanDerWaalsContact C-N 3.34Å; Y145-D147 PolarHBondContact O-N 2.83Å; D147-R151 VanDerWaalsContact O-CG 3.32Å; D147-R151 WeakPolarHBondContact O-CG 3.18Å; D147-R151 PolarHBondContact O-N 3.24Å |
| 148 | R | 89.8 | Confident | 87.8 | Confident | 163 Ų | 163 | 71.8 Ų | 71.8 | 62% | 0.615 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -67.6 | -50.2 | 174.8 | -178.4 | 179.4 | -61.4 | 161.1 | 3.5 | 111.2 | D144 Y145 E146 Y150 R151 E152 | D144-R148 WeakPolarHBondContact O-CB 3.37Å; D144-R148 PolarHBondContact O-N 2.92Å; D144-R148 VanDerWaalsContact O-N 3.11Å; Y145-R148 PolarHBondContact O-N 3.17Å; E146-R148 VanDerWaalsContact C-N 3.35Å; E146-R148 PolarHBondContact O-N 2.88Å; R148-Y150 PolarHBondContact O-N 3.13Å; R148-R151 PolarHBondContact O-N 2.89Å; R148-R151 VanDerWaalsContact O-N 3.12Å; R148-E152 VanDerWaalsContact CG-OE1 3.29Å; R148-E152 WeakPolarHBondContact CG-OE1 3.45Å; R148-E152 WeakPolarHBondContact O-CG 3.45Å; R148-E152 PolarHBondContact O-N 2.88Å |
| 149 | Y | 90 | Very high | 88.1 | Confident | 42 Ų | 42 | 70.4 Ų | 70.4 | 17% | 0.165 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.1 | -41.4 | 179.6 | -177.9 | -79 | 0 | 0 | 0 | 111.1 | Y145 E146 E152 N153 T199 T201 D202 M205 | Y145-Y149 VanDerWaalsContact O-CB 3.28Å; Y145-Y149 WeakPolarHBondContact O-CB 3.34Å; Y145-Y149 PolarHBondContact O-N 2.92Å; E146-Y149 PolarHBondContact O-N 3.16Å; Y149-E152 PolarHBondContact O-N 3.42Å; Y149-N153 HydrophobicContact CD1-CB 4.48Å; Y149-N153 HydrophobicContact CE1-CB 4.21Å; Y149-N153 WeakPolarHBondContact CE1-ND2 3.45Å; Y149-N153 WeakPolarHBondContact O-CB 3.46Å; Y149-N153 PolarHBondContact O-N 3.45Å; Y149-N153 PolarHBondContact O-ND2 2.71Å; Y149-T199 PolarHBondContact OH-OG1 3.2Å; Y149-T201 HydrophobicContact CD1-CG2 4.12Å; Y149-T201 HydrophobicContact CE1-CG2 3.86Å; Y149-D202 PolarHBondContact OH-OD1 3Å; Y149-D202 PolarHBondContact OH-OD2 3.31Å; Y149-M205 HydrophobicContact CD1-CE 3.51Å; Y149-M205 HydrophobicContact CD1-SD 3.45Å; Y149-M205 WeakPolarHBondContact CD1-SD 3.17Å; Y149-M205 HydrophobicContact CE1-CE 4.3Å; Y149-M205 HydrophobicContact CE1-SD 3.97Å; Y149-M205 HydrophobicContact CG-CE 4.16Å |
| 150 | Y | 89.9 | Confident | 88.4 | Confident | 1 Ų | 1 | 72.4 Ų | 72.4 | 0% | 0.004 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.7 | -49.5 | 175 | 174.9 | -112.8 | 0 | 0 | 0 | 111.5 | P137 F141 E146 R148 E152 N153 M154 Y157 M205 V209 | P137-Y150 WeakPolarHBondContact O-CE1 3.24Å; P137-Y150 PolarHBondContact O-OH 3.46Å; F141-Y150 HydrophobicContact CE2-CD1 4.19Å; F141-Y150 AromaticContact CE2-CD2 3.92Å; F141-Y150 HydrophobicContact CE2-CD2 3.92Å; F141-Y150 AromaticContact CE2-CG 3.66Å; F141-Y150 HydrophobicContact CE2-CG 3.66Å; F141-Y150 HydrophobicContact CZ-CD2 4.28Å; F141-Y150 HydrophobicContact CZ-CG 4.46Å; E146-Y150 WeakPolarHBondContact O-CB 3.16Å; E146-Y150 PolarHBondContact O-N 3.46Å; R148-Y150 PolarHBondContact O-N 3.13Å; Y150-E152 VanDerWaalsContact C-N 3.26Å; Y150-E152 PolarHBondContact O-N 3.16Å; Y150-N153 PolarHBondContact O-N 3.42Å; Y150-M154 HydrophobicContact CD2-CB 4.43Å; Y150-M154 HydrophobicContact CE1-CB 4.44Å; Y150-M154 HydrophobicContact CE2-CB 3.88Å; Y150-M154 WeakPolarHBondContact O-CA 3.17Å; Y150-M154 VanDerWaalsContact O-CB 3.23Å; Y150-M154 WeakPolarHBondContact O-CB 3.31Å; Y150-M154 PolarHBondContact O-N 2.74Å; Y150-Y157 HydrophobicContact CD2-CD2 4.19Å; Y150-Y157 AromaticContact CD2-CE2 3.74Å; Y150-Y157 HydrophobicContact CD2-CE2 3.74Å; Y150-Y157 AromaticContact CE2-CD2 3.77Å; Y150-Y157 HydrophobicContact CE2-CD2 3.77Å; Y150-Y157 AromaticContact CE2-CE2 3.82Å; Y150-Y157 HydrophobicContact CE2-CE2 3.82Å; Y150-M205 HydrophobicContact CD2-CB 4.31Å; Y150-M205 HydrophobicContact CD2-SD 4.19Å; Y150-V209 HydrophobicContact CD2-CG2 4.22Å; Y150-V209 HydrophobicContact CE2-CG2 3.28Å; Y150-V209 WeakPolarHBondContact OH-CG2 3.3Å |
| 151 | R | 89.2 | Confident | 88.7 | Confident | 144 Ų | 144 | 66 Ų | 66 | 54% | 0.543 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.1 | -34.6 | 179.4 | -71.9 | 174.3 | -170.9 | -160.1 | 4 | 112.8 | D147 R148 | D147-R151 VanDerWaalsContact O-CG 3.32Å; D147-R151 WeakPolarHBondContact O-CG 3.18Å; D147-R151 PolarHBondContact O-N 3.24Å; R148-R151 PolarHBondContact O-N 2.89Å; R148-R151 VanDerWaalsContact O-N 3.12Å |
| 152 | E | 90.3 | Very high | 89 | Confident | 117 Ų | 117 | 66 Ų | 66 | 55% | 0.547 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -72 | -39.1 | 177.4 | -70.2 | 171.8 | -172.2 | 0 | 0 | 111.4 | R148 Y149 Y150 H155 | R148-E152 VanDerWaalsContact CG-OE1 3.29Å; R148-E152 WeakPolarHBondContact CG-OE1 3.45Å; R148-E152 WeakPolarHBondContact O-CG 3.45Å; R148-E152 PolarHBondContact O-N 2.88Å; Y149-E152 PolarHBondContact O-N 3.42Å; Y150-E152 VanDerWaalsContact C-N 3.26Å; Y150-E152 PolarHBondContact O-N 3.16Å; E152-H155 PolarHBondContact O-CE1 3.39Å; E152-H155 PolarHBondContact O-ND1 3.22Å |
| 153 | N | 90.1 | Very high | 89.2 | Confident | 27 Ų | 27 | 64.8 Ų | 64.8 | 14% | 0.144 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -100.1 | -8.2 | -173.2 | -68.2 | -76.1 | 0 | 0 | 0 | 115 | Y149 Y150 H155 R156 Y157 | Y149-N153 HydrophobicContact CD1-CB 4.48Å; Y149-N153 HydrophobicContact CE1-CB 4.21Å; Y149-N153 WeakPolarHBondContact CE1-ND2 3.45Å; Y149-N153 WeakPolarHBondContact O-CB 3.46Å; Y149-N153 PolarHBondContact O-N 3.45Å; Y149-N153 PolarHBondContact O-ND2 2.71Å; Y150-N153 PolarHBondContact O-N 3.42Å; N153-H155 PolarHBondContact O-N 3.17Å; N153-R156 PolarHBondContact O-N 3.41Å; N153-Y157 HydrophobicContact CB-CE1 4.47Å; N153-Y157 HydrophobicContact CB-CE2 4.4Å; N153-Y157 WeakPolarHBondContact CB-OH 3.36Å |
| 154 | M | 88 | Confident | 89.1 | Confident | 59 Ų | 59 | 65.6 Ų | 65.6 | 29% | 0.291 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -56.7 | -25.8 | -177.9 | 66.4 | 170.9 | -179 | 0 | 0 | 112.9 | R136 Y150 R156 Y157 | R136-M154 VanDerWaalsContact CD-O 3.24Å; R136-M154 WeakPolarHBondContact CD-O 3.39Å; R136-M154 PolarHBondContact NE-O 2.79Å; R136-M154 PolarHBondContact NH1-O 3.43Å; R136-M154 PolarHBondContact NH2-O 3.28Å; Y150-M154 HydrophobicContact CD2-CB 4.43Å; Y150-M154 HydrophobicContact CE1-CB 4.44Å; Y150-M154 HydrophobicContact CE2-CB 3.88Å; Y150-M154 WeakPolarHBondContact O-CA 3.17Å; Y150-M154 VanDerWaalsContact O-CB 3.23Å; Y150-M154 WeakPolarHBondContact O-CB 3.31Å; Y150-M154 PolarHBondContact O-N 2.74Å; M154-R156 PolarHBondContact O-N 3.15Å; M154-Y157 HydrophobicContact CB-CD2 4.3Å; M154-Y157 PolarHBondContact O-N 3.25Å; M154-Y157 VanDerWaalsContact O-N 3.14Å |
| 155 | H | 88.6 | Confident | 88.8 | Confident | 120 Ų | 120 | 60.7 Ų | 60.7 | 56% | 0.556 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -61.1 | -25.1 | 178.5 | 72.1 | -82.3 | 0 | 0 | 0 | 114.1 | R136 E152 N153 | R136-H155 VanDerWaalsContact NH1-CA 3.31Å; R136-H155 VanDerWaalsContact NH2-C 3.31Å; R136-H155 PolarHBondContact NH2-O 2.82Å; E152-H155 PolarHBondContact O-CE1 3.39Å; E152-H155 PolarHBondContact O-ND1 3.22Å; N153-H155 PolarHBondContact O-N 3.17Å |
| 156 | R | 88.9 | Confident | 88 | Confident | 53 Ų | 53 | 57.5 Ų | 57.5 | 20% | 0.2 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -90.9 | -12.7 | 179.7 | -59.9 | 172.7 | 63.8 | -144.2 | -5.8 | 112.9 | N153 M154 H187 E196 N197 F198 | N153-R156 PolarHBondContact O-N 3.41Å; M154-R156 PolarHBondContact O-N 3.15Å; R156-H187 PolarHBondContact O-CE1 2.68Å; R156-H187 PolarHBondContact O-NE2 3.42Å; R156-E196 IonicContact CZ-OE1 3.7Å; R156-E196 IonicContact NE-OE1 3.79Å; R156-E196 PolarHBondContact NE-OE1 3.15Å; R156-E196 IonicContact NH2-OE1 2.82Å; R156-N197 PolarHBondContact NH2-O 3.3Å; R156-F198 HydrophobicContact CB-CE1 4.4Å |
| 157 | Y | 89.6 | Confident | 87.4 | Confident | 2 Ų | 2 | 62.9 Ų | 62.9 | 1% | 0.008 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -83.4 | 153.2 | -177.8 | -57.7 | -23.6 | 0 | 0 | 0 | 111.6 | R136 Y150 N153 M154 D202 M205 M206 | R136-Y157 PolarHBondContact NE-O 3.43Å; R136-Y157 PolarHBondContact NH2-O 2.75Å; Y150-Y157 HydrophobicContact CD2-CD2 4.19Å; Y150-Y157 AromaticContact CD2-CE2 3.74Å; Y150-Y157 HydrophobicContact CD2-CE2 3.74Å; Y150-Y157 AromaticContact CE2-CD2 3.77Å; Y150-Y157 HydrophobicContact CE2-CD2 3.77Å; Y150-Y157 AromaticContact CE2-CE2 3.82Å; Y150-Y157 HydrophobicContact CE2-CE2 3.82Å; N153-Y157 HydrophobicContact CB-CE1 4.47Å; N153-Y157 HydrophobicContact CB-CE2 4.4Å; N153-Y157 WeakPolarHBondContact CB-OH 3.36Å; M154-Y157 HydrophobicContact CB-CD2 4.3Å; M154-Y157 PolarHBondContact O-N 3.25Å; M154-Y157 VanDerWaalsContact O-N 3.14Å; Y157-D202 HydrophobicContact CE1-CB 4.06Å; Y157-D202 PolarHBondContact OH-OD1 3.3Å; Y157-M205 HydrophobicContact CE2-CB 4Å; Y157-M206 HydrophobicContact CD1-CG 3.23Å; Y157-M206 HydrophobicContact CD1-SD 3.69Å; Y157-M206 HydrophobicContact CD2-CG 4.28Å; Y157-M206 HydrophobicContact CE1-CG 3.71Å; Y157-M206 HydrophobicContact CE1-SD 4.26Å; Y157-M206 HydrophobicContact CG-CG 3.59Å; Y157-M206 HydrophobicContact CG-SD 4.43Å |
| 158 | P | 88.3 | Confident | 86.8 | Confident | 9 Ų | 9 | 66.9 Ų | 66.9 | 6% | 0.058 | 30% | 0.303 | C | S | . | . | trans | -60 | 147.5 | -179.8 | 25.2 | -34.1 | 0 | 0 | 0 | 111 | T183 H187 V210 M213 | P158-T183 HydrophobicContact CB-CG2 4.12Å; P158-T183 HydrophobicContact CG-CG2 4.04Å; P158-H187 HydrophobicContact CG-CB 4.46Å; P158-V210 HydrophobicContact CG-CG2 3.59Å; P158-M213 WeakPolarHBondContact O-CE 3.4Å | ||
| 159 | N | 90.6 | Very high | 86.3 | Confident | 67 Ų | 67 | 61.1 Ų | 61.1 | 36% | 0.358 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -114.6 | 2.7 | 173.1 | 68.1 | -18.7 | 0 | 0 | 0 | 112.5 | A133 M134 | A133-N159 CarbonylContact C-O 3.58Å; A133-N159 WeakPolarHBondContact CA-O 3.49Å; M134-N159 PolarHBondContact N-O 3.2Å |
| 160 | Q | 89.6 | Confident | 85.7 | Confident | 61 Ų | 61 | 64 Ų | 64 | 29% | 0.285 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -135 | 150.5 | 177.7 | -70.8 | 172.5 | 55.3 | 0 | 0 | 107.3 | L130 G131 A133 | L130-Q160 HydrophobicContact CD1-CB 3.56Å; L130-Q160 HydrophobicContact CG-CB 4.16Å; L130-Q160 VanDerWaalsContact CG-OE1 3.31Å; G131-Q160 PolarHBondContact O-OE1 3.31Å; A133-Q160 VanDerWaalsContact CA-CG 3.43Å; A133-Q160 HydrophobicContact CB-CG 3.81Å |
| 161 | V | 91.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 32% | 0.318 | C | S | . | . | trans | -120.9 | 144.6 | -178.6 | -59.9 | 0 | 0 | 0 | 0 | 110.8 | G131 M134 T183 V210 M213 Q217 | G131-V161 PolarHBondContact N-O 2.99Å; M134-V161 HydrophobicContact CE-CG1 4.44Å; M134-V161 HydrophobicContact CE-CG2 3.7Å; V161-T183 HydrophobicContact CG1-CG2 4.39Å; V161-V210 HydrophobicContact CG1-CG1 3.97Å; V161-M213 HydrophobicContact CG1-CB 3.49Å; V161-M213 VanDerWaalsContact CG1-CB 3.49Å; V161-M213 HydrophobicContact CG1-CE 3.89Å; V161-M213 HydrophobicContact CG1-SD 4.43Å; V161-Q217 HydrophobicContact CG2-CB 4.3Å; V161-Q217 HydrophobicContact CG2-CG 4.35Å | ||
| 162 | Y | 89.6 | Confident | 85 | Confident | 34 Ų | 34 | 63.6 Ų | 63.6 | 13% | 0.133 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 130 | 171.3 | -67.7 | -82.7 | 0 | 0 | 0 | 109.4 | V122 M129 L130 C179 I182 T183 Q186 | V122-Y162 HydrophobicContact CB-CD1 4.34Å; V122-Y162 HydrophobicContact CB-CE1 3.33Å; V122-Y162 HydrophobicContact CG1-CD1 4.41Å; V122-Y162 HydrophobicContact CG1-CE1 3.34Å; V122-Y162 HydrophobicContact CG1-CE2 4.21Å; V122-Y162 WeakPolarHBondContact CG1-OH 2.9Å; V122-Y162 HydrophobicContact CG2-CE1 3.48Å; V122-Y162 VanDerWaalsContact CG2-CE1 3.48Å; V122-Y162 WeakPolarHBondContact CG2-OH 3.29Å; M129-Y162 WeakPolarHBondContact O-CA 3.4Å; L130-Y162 HydrophobicContact CB-CD1 4.36Å; L130-Y162 HydrophobicContact CB-CE1 3.94Å; L130-Y162 HydrophobicContact CD1-CD1 4.03Å; L130-Y162 HydrophobicContact CD1-CD2 4.22Å; L130-Y162 HydrophobicContact CD1-CE1 3.59Å; L130-Y162 HydrophobicContact CD1-CE2 3.87Å; L130-Y162 HydrophobicContact CD1-CG 4.31Å; L130-Y162 VanDerWaalsContact CD1-CZ 3.48Å; L130-Y162 HydrophobicContact CD2-CE1 4.34Å; L130-Y162 HydrophobicContact CG-CE1 4.16Å; Y162-C179 WeakPolarHBondContact O-CA 3.37Å; Y162-C179 PolarHBondContact O-SG 2.64Å; Y162-I182 HydrophobicContact CG-CG2 4.42Å; Y162-T183 HydrophobicContact CD2-CG2 4.34Å; Y162-T183 PolarHBondContact N-OG1 3.49Å; Y162-Q186 HydrophobicContact CD2-CB 4.36Å; Y162-Q186 HydrophobicContact CE2-CB 4.08Å |
| 163 | Y | 88.1 | Confident | 84.9 | Confident | 56 Ų | 56 | 63.4 Ų | 63.4 | 22% | 0.22 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 158.1 | 179.3 | 73.1 | -77 | 0 | 0 | 0 | 110.4 | M129 F175 Q217 | M129-Y163 HydrophobicContact CB-CE1 4.21Å; M129-Y163 HydrophobicContact CE-CD2 4.44Å; M129-Y163 HydrophobicContact CE-CE2 3.87Å; M129-Y163 PolarHBondContact N-O 2.64Å; M129-Y163 PolarHBondContact O-N 3.49Å; Y163-F175 HydrophobicContact CD2-CE2 4.08Å; Y163-F175 HydrophobicContact CD2-CZ 4.26Å; Y163-F175 HydrophobicContact CG-CE2 4.39Å; Y163-F175 HydrophobicContact CG-CZ 4.39Å; Y163-Q217 HydrophobicContact CD1-CG 3.92Å; Y163-Q217 HydrophobicContact CD2-CG 4.41Å; Y163-Q217 HydrophobicContact CE1-CG 4.01Å; Y163-Q217 HydrophobicContact CE2-CG 4.48Å; Y163-Q217 HydrophobicContact CG-CG 4.14Å |
| 164 | R | 86.3 | Confident | 84.9 | Confident | 58 Ų | 58 | 66.3 Ų | 66.3 | 22% | 0.219 | 33% | 0.332 | C | S | . | . | trans | -107.5 | 160.9 | 167.2 | -61.3 | -168.4 | -178.7 | 176.7 | -10.9 | 110.6 | G126 Y128 M166 E168 Y169 F175 | G126-R164 PolarHBondContact O-NH2 2.74Å; Y128-R164 HydrophobicContact CD1-CG 3.51Å; Y128-R164 HydrophobicContact CD2-CG 4.41Å; Y128-R164 HydrophobicContact CE1-CG 3.57Å; Y128-R164 HydrophobicContact CG-CG 3.96Å; R164-M166 PolarHBondContact O-N 3.42Å; R164-E168 VanDerWaalsContact CD-OE2 3.29Å; R164-E168 WeakPolarHBondContact CD-OE2 3.39Å; R164-E168 IonicContact CZ-OE1 3.69Å; R164-E168 IonicContact NH1-OE1 2.75Å; R164-E168 PolarHBondContact NH1-OE1 3.15Å; R164-Y169 HydrophobicContact CB-CE2 3.67Å; R164-Y169 WeakPolarHBondContact CB-OH 3.43Å; R164-F175 WeakPolarHBondContact O-CE2 3.43Å | ||
| 165 | P | 80.9 | Confident | 85 | Confident | 42 Ų | 42 | 63.7 Ų | 63.7 | 27% | 0.273 | 32% | 0.319 | S | S | . | . | trans | -53.7 | 137.2 | 176 | -20.8 | 33.1 | 0 | 0 | 0 | 111.5 | M129 D167 E168 | M129-P165 HydrophobicContact CE-CB 4.47Å; M129-P165 HydrophobicContact CE-CG 3.59Å; P165-D167 WeakPolarHBondContact CB-OD1 3.15Å; P165-D167 PolarHBondContact O-N 3.26Å; P165-D167 VanDerWaalsContact O-N 3.16Å; P165-E168 WeakPolarHBondContact O-CB 3.35Å; P165-E168 PolarHBondContact O-N 3.37Å | ||
| 166 | M | 71 | Confident | 85.1 | Confident | 95 Ų | 95 | 58.6 Ų | 58.6 | 47% | 0.468 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -59.4 | -25.6 | -177.9 | -99.4 | -92 | -166.5 | 0 | 0 | 113.1 | R164 E168 Y169 Q172 F175 | R164-M166 PolarHBondContact O-N 3.42Å; M166-E168 PolarHBondContact O-N 2.99Å; M166-Y169 PolarHBondContact O-N 3.47Å; M166-Q172 HydrophobicContact CE-CB 4.46Å; M166-Q172 HydrophobicContact CE-CG 4.25Å; M166-F175 HydrophobicContact CE-CB 4.4Å; M166-F175 HydrophobicContact CE-CD1 3.93Å; M166-F175 HydrophobicContact CE-CE1 4.37Å; M166-F175 HydrophobicContact CE-CG 4.06Å; M166-F175 HydrophobicContact CG-CD2 4.31Å; M166-F175 HydrophobicContact CG-CE2 4.46Å; M166-F175 HydrophobicContact SD-CB 4.49Å; M166-F175 HydrophobicContact SD-CG 4.41Å |
| 167 | D | 77.4 | Confident | 85.2 | Confident | 146 Ų | 146 | 62.4 Ų | 62.4 | 78% | 0.781 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -60.8 | -18.9 | 174.3 | 45.1 | -63.2 | 0 | 0 | 0 | 113.9 | P165 | P165-D167 WeakPolarHBondContact CB-OD1 3.15Å; P165-D167 PolarHBondContact O-N 3.26Å; P165-D167 VanDerWaalsContact O-N 3.16Å |
| 168 | E | 74.6 | Confident | 85.3 | Confident | 108 Ų | 108 | 63.9 Ų | 63.9 | 51% | 0.505 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -86 | -11.6 | 175.8 | -149.8 | 176.3 | 153.8 | 0 | 0 | 112.7 | R164 P165 M166 | R164-E168 VanDerWaalsContact CD-OE2 3.29Å; R164-E168 WeakPolarHBondContact CD-OE2 3.39Å; R164-E168 IonicContact CZ-OE1 3.69Å; R164-E168 IonicContact NH1-OE1 2.75Å; R164-E168 PolarHBondContact NH1-OE1 3.15Å; P165-E168 WeakPolarHBondContact O-CB 3.35Å; P165-E168 PolarHBondContact O-N 3.37Å; M166-E168 PolarHBondContact O-N 2.99Å |
| 169 | Y | 79.1 | Confident | 85.4 | Confident | 43 Ų | 43 | 63.4 Ų | 63.4 | 17% | 0.169 | 32% | 0.321 | C | S | . | . | trans | -113.2 | 141.8 | -176.8 | -60.2 | -84 | 0 | 0 | 0 | 113.1 | R164 M166 N174 F175 D178 | R164-Y169 HydrophobicContact CB-CE2 3.67Å; R164-Y169 WeakPolarHBondContact CB-OH 3.43Å; M166-Y169 PolarHBondContact O-N 3.47Å; Y169-N174 HydrophobicContact CD1-CB 4.33Å; Y169-F175 HydrophobicContact CD1-CB 4.48Å; Y169-F175 HydrophobicContact CD2-CB 4.02Å; Y169-F175 AromaticContact CD2-CD2 3.74Å; Y169-F175 HydrophobicContact CD2-CD2 3.74Å; Y169-F175 HydrophobicContact CD2-CG 4.4Å; Y169-F175 HydrophobicContact CE2-CB 4.4Å; Y169-F175 AromaticContact CE2-CD2 3.65Å; Y169-F175 HydrophobicContact CE2-CD2 3.65Å; Y169-F175 HydrophobicContact CE2-CE2 4.48Å; Y169-F175 HydrophobicContact CG-CB 4.05Å; Y169-D178 HydrophobicContact CE1-CB 4.02Å; Y169-D178 PolarHBondContact OH-OD2 3.09Å | ||
| 170 | S | 77.9 | Confident | 85.5 | Confident | 102 Ų | 102 | 61.2 Ų | 61.2 | 71% | 0.713 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -83.8 | -16.7 | 177.1 | 57.9 | 0 | 0 | 0 | 0 | 114.5 | ||
| 171 | N | 83.2 | Confident | 85.7 | Confident | 37 Ų | 37 | 61 Ų | 61 | 20% | 0.198 | 31% | 0.311 | C | S | . | . | trans | -152.7 | 143.3 | -174.9 | -172 | -64.6 | 0 | 0 | 0 | 111 | W99 N173 N174 F175 | W99-N171 WeakPolarHBondContact CZ2-ND2 3.43Å; N171-N173 VanDerWaalsContact C-N 3.3Å; N171-N173 PolarHBondContact O-N 2.88Å; N171-N173 VanDerWaalsContact OD1-CB 3.25Å; N171-N173 WeakPolarHBondContact OD1-CB 3.1Å; N171-N173 PolarHBondContact OD1-N 2.84Å; N171-N174 WeakPolarHBondContact O-CB 3.42Å; N171-N174 PolarHBondContact O-N 3.03Å; N171-N174 VanDerWaalsContact O-N 3.17Å; N171-F175 PolarHBondContact O-N 2.83Å | ||
| 172 | Q | 82.3 | Confident | 85.6 | Confident | 99 Ų | 99 | 61.8 Ų | 61.8 | 46% | 0.463 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -58 | -37.7 | 176.4 | -179.4 | 176.4 | -14.8 | 0 | 0 | 113.3 | M166 N174 F175 V176 | M166-Q172 HydrophobicContact CE-CB 4.46Å; M166-Q172 HydrophobicContact CE-CG 4.25Å; Q172-N174 VanDerWaalsContact C-N 3.3Å; Q172-N174 PolarHBondContact O-N 3.06Å; Q172-F175 WeakPolarHBondContact O-CB 3.48Å; Q172-F175 PolarHBondContact O-N 3.45Å; Q172-V176 HydrophobicContact CG-CG2 4.32Å; Q172-V176 WeakPolarHBondContact O-CG2 3.16Å; Q172-V176 PolarHBondContact O-N 3.49Å |
| 173 | N | 87.8 | Confident | 85.7 | Confident | 114 Ų | 114 | 60.2 Ų | 60.2 | 61% | 0.61 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -63.6 | -37.8 | 178.2 | -64 | -19.5 | 0 | 0 | 0 | 111.5 | N171 V176 H177 | N171-N173 VanDerWaalsContact C-N 3.3Å; N171-N173 PolarHBondContact O-N 2.88Å; N171-N173 VanDerWaalsContact OD1-CB 3.25Å; N171-N173 WeakPolarHBondContact OD1-CB 3.1Å; N171-N173 PolarHBondContact OD1-N 2.84Å; N173-V176 PolarHBondContact O-N 3.43Å; N173-H177 WeakPolarHBondContact O-CB 3.25Å; N173-H177 PolarHBondContact O-N 3.47Å |
| 174 | N | 88.6 | Confident | 85.9 | Confident | 87 Ų | 87 | 58.3 Ų | 58.3 | 47% | 0.465 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.8 | -41.4 | 176.1 | -68.4 | -19.4 | 0 | 0 | 0 | 110.7 | Y169 N171 Q172 D178 | Y169-N174 HydrophobicContact CD1-CB 4.33Å; N171-N174 WeakPolarHBondContact O-CB 3.42Å; N171-N174 PolarHBondContact O-N 3.03Å; N171-N174 VanDerWaalsContact O-N 3.17Å; Q172-N174 VanDerWaalsContact C-N 3.3Å; Q172-N174 PolarHBondContact O-N 3.06Å; N174-D178 VanDerWaalsContact O-CB 3.28Å; N174-D178 WeakPolarHBondContact O-CB 3.46Å; N174-D178 PolarHBondContact O-N 3Å |
| 175 | F | 90.1 | Very high | 86.1 | Confident | 4 Ų | 4 | 60.9 Ų | 60.9 | 2% | 0.018 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.2 | -51.6 | 174 | 168.2 | -92.6 | 0 | 0 | 0 | 111.8 | Y163 R164 M166 Y169 N171 Q172 H177 D178 C179 C214 | Y163-F175 HydrophobicContact CD2-CE2 4.08Å; Y163-F175 HydrophobicContact CD2-CZ 4.26Å; Y163-F175 HydrophobicContact CG-CE2 4.39Å; Y163-F175 HydrophobicContact CG-CZ 4.39Å; R164-F175 WeakPolarHBondContact O-CE2 3.43Å; M166-F175 HydrophobicContact CE-CB 4.4Å; M166-F175 HydrophobicContact CE-CD1 3.93Å; M166-F175 HydrophobicContact CE-CE1 4.37Å; M166-F175 HydrophobicContact CE-CG 4.06Å; M166-F175 HydrophobicContact CG-CD2 4.31Å; M166-F175 HydrophobicContact CG-CE2 4.46Å; M166-F175 HydrophobicContact SD-CB 4.49Å; M166-F175 HydrophobicContact SD-CG 4.41Å; Y169-F175 HydrophobicContact CD1-CB 4.48Å; Y169-F175 HydrophobicContact CD2-CB 4.02Å; Y169-F175 AromaticContact CD2-CD2 3.74Å; Y169-F175 HydrophobicContact CD2-CD2 3.74Å; Y169-F175 HydrophobicContact CD2-CG 4.4Å; Y169-F175 HydrophobicContact CE2-CB 4.4Å; Y169-F175 AromaticContact CE2-CD2 3.65Å; Y169-F175 HydrophobicContact CE2-CD2 3.65Å; Y169-F175 HydrophobicContact CE2-CE2 4.48Å; Y169-F175 HydrophobicContact CG-CB 4.05Å; N171-F175 PolarHBondContact O-N 2.83Å; Q172-F175 WeakPolarHBondContact O-CB 3.48Å; Q172-F175 PolarHBondContact O-N 3.45Å; F175-H177 PolarHBondContact O-N 2.9Å; F175-D178 PolarHBondContact O-N 2.75Å; F175-C179 WeakPolarHBondContact O-CB 3.49Å; F175-C179 PolarHBondContact O-N 3.5Å; F175-C214 WeakPolarHBondContact CE1-O 3.29Å |
| 176 | V | 91.2 | Very high | 86.4 | Confident | 13 Ų | 13 | 60.1 Ų | 60.1 | 8% | 0.079 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.2 | -45.4 | -178.8 | 174.6 | 0 | 0 | 0 | 0 | 110.7 | Q172 N173 D178 C179 V180 E211 C214 I215 | Q172-V176 HydrophobicContact CG-CG2 4.32Å; Q172-V176 WeakPolarHBondContact O-CG2 3.16Å; Q172-V176 PolarHBondContact O-N 3.49Å; N173-V176 PolarHBondContact O-N 3.43Å; V176-D178 PolarHBondContact O-N 3.24Å; V176-C179 PolarHBondContact O-N 2.72Å; V176-V180 HydrophobicContact CG1-CG2 4.4Å; V176-V180 VanDerWaalsContact O-CG2 3.24Å; V176-V180 WeakPolarHBondContact O-CG2 3.24Å; V176-V180 PolarHBondContact O-N 3.5Å; V176-E211 HydrophobicContact CG1-CG 3.91Å; V176-C214 HydrophobicContact CG1-CB 4.23Å; V176-I215 HydrophobicContact CG1-CG1 4.14Å; V176-I215 HydrophobicContact CG2-CG1 3.85Å |
| 177 | H | 91.3 | Very high | 87.2 | Confident | 134 Ų | 134 | 57.1 Ų | 57.1 | 62% | 0.62 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -62.5 | -43.3 | -179.7 | -176.7 | -86.4 | 0 | 0 | 0 | 112.3 | N173 F175 V180 N181 | N173-H177 WeakPolarHBondContact O-CB 3.25Å; N173-H177 PolarHBondContact O-N 3.47Å; F175-H177 PolarHBondContact O-N 2.9Å; H177-V180 PolarHBondContact O-N 3.03Å; H177-N181 VanDerWaalsContact O-CB 3.29Å; H177-N181 WeakPolarHBondContact O-CB 3.27Å; H177-N181 PolarHBondContact O-N 3.38Å |
| 178 | D | 91.3 | Very high | 87.7 | Confident | 32 Ų | 32 | 52 Ų | 52 | 17% | 0.171 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.6 | -42.8 | 177.9 | -166.2 | 43.2 | 0 | 0 | 0 | 111.7 | Y128 Y169 N174 F175 V176 V180 N181 I182 | Y128-D178 PolarHBondContact OH-OD2 3.43Å; Y128-D178 VanDerWaalsContact OH-OD2 3.1Å; Y169-D178 HydrophobicContact CE1-CB 4.02Å; Y169-D178 PolarHBondContact OH-OD2 3.09Å; N174-D178 VanDerWaalsContact O-CB 3.28Å; N174-D178 WeakPolarHBondContact O-CB 3.46Å; N174-D178 PolarHBondContact O-N 3Å; F175-D178 PolarHBondContact O-N 2.75Å; V176-D178 PolarHBondContact O-N 3.24Å; D178-V180 VanDerWaalsContact C-N 3.31Å; D178-V180 PolarHBondContact O-N 2.94Å; D178-N181 PolarHBondContact O-N 3.41Å; D178-I182 WeakPolarHBondContact O-CB 3.38Å; D178-I182 VanDerWaalsContact O-CG1 3.25Å; D178-I182 WeakPolarHBondContact O-CG1 3.36Å; D178-I182 PolarHBondContact O-N 2.93Å |
| 179 | C | 91.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -55.5 | -45.1 | 174 | 175.4 | 0 | 0 | 0 | 0 | 112 | Y162 F175 V176 T183 C214 | Y162-C179 WeakPolarHBondContact O-CA 3.37Å; Y162-C179 PolarHBondContact O-SG 2.64Å; F175-C179 WeakPolarHBondContact O-CB 3.49Å; F175-C179 PolarHBondContact O-N 3.5Å; V176-C179 PolarHBondContact O-N 2.72Å; C179-T183 WeakPolarHBondContact O-CB 3.35Å; C179-T183 PolarHBondContact O-N 2.7Å; C179-T183 PolarHBondContact O-OG1 3.42Å; C179-C214 VanDerWaalsContact C-SG 3.55Å; C179-C214 HydrophobicContact CB-CB 3.76Å; C179-C214 WeakPolarHBondContact CB-SG 3.44Å; C179-C214 WeakPolarHBondContact SG-CB 2.85Å; C179-C214 CovalentContact SG-SG 2.03Å; C179-C214 PolarHBondContact SG-SG 3.33Å |
| 180 | V | 92.9 | Very high | 88.6 | Confident | 21 Ų | 21 | 51.7 Ų | 51.7 | 13% | 0.127 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.1 | -53.2 | 176.3 | 173.7 | 0 | 0 | 0 | 0 | 111.5 | V176 H177 D178 I182 T183 I184 E207 V210 E211 | V176-V180 HydrophobicContact CG1-CG2 4.4Å; V176-V180 VanDerWaalsContact O-CG2 3.24Å; V176-V180 WeakPolarHBondContact O-CG2 3.24Å; V176-V180 PolarHBondContact O-N 3.5Å; H177-V180 PolarHBondContact O-N 3.03Å; D178-V180 VanDerWaalsContact C-N 3.31Å; D178-V180 PolarHBondContact O-N 2.94Å; V180-I182 PolarHBondContact O-N 3.19Å; V180-T183 PolarHBondContact O-N 2.99Å; V180-I184 HydrophobicContact CG1-CD1 3.61Å; V180-I184 HydrophobicContact CG1-CG1 4.47Å; V180-I184 WeakPolarHBondContact O-CG1 3.32Å; V180-I184 PolarHBondContact O-N 3.48Å; V180-E207 HydrophobicContact CG1-CG 4.37Å; V180-V210 HydrophobicContact CB-CG1 4.25Å; V180-V210 HydrophobicContact CG1-CG1 4.44Å; V180-V210 HydrophobicContact CG2-CB 4.41Å; V180-V210 HydrophobicContact CG2-CG1 3.98Å; V180-E211 VanDerWaalsContact CG2-CA 3.48Å; V180-E211 HydrophobicContact CG2-CB 3.9Å |
| 181 | N | 92.3 | Very high | 88.9 | Confident | 56 Ų | 56 | 47.1 Ų | 47.1 | 30% | 0.299 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58.1 | -47.1 | -176.7 | -176.4 | 22.7 | 0 | 0 | 0 | 111.9 | H177 D178 K185 | H177-N181 VanDerWaalsContact O-CB 3.29Å; H177-N181 WeakPolarHBondContact O-CB 3.27Å; H177-N181 PolarHBondContact O-N 3.38Å; D178-N181 PolarHBondContact O-N 3.41Å; N181-K185 WeakPolarHBondContact O-CB 3.21Å; N181-K185 VanDerWaalsContact O-CG 3.27Å; N181-K185 WeakPolarHBondContact O-CG 3.42Å; N181-K185 PolarHBondContact O-N 3.36Å; N181-K185 WeakPolarHBondContact OD1-CE 2.93Å; N181-K185 PolarHBondContact OD1-NZ 2.81Å |
| 182 | I | 91.2 | Very high | 89 | Confident | 17 Ų | 17 | 48.9 Ų | 48.9 | 9% | 0.087 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69.6 | -43.3 | -178.2 | -65.8 | -69 | 0 | 0 | 0 | 110.9 | L125 Y128 Y162 D178 V180 I184 K185 Q186 | L125-I182 HydrophobicContact CD1-CG2 3.43Å; L125-I182 VanDerWaalsContact CD1-CG2 3.43Å; L125-I182 HydrophobicContact CD2-CD1 4.25Å; Y128-I182 HydrophobicContact CD1-CG1 4.44Å; Y128-I182 HydrophobicContact CD1-CG2 3.93Å; Y128-I182 HydrophobicContact CE1-CB 4.16Å; Y128-I182 HydrophobicContact CE1-CD1 4.29Å; Y128-I182 HydrophobicContact CE1-CG1 3.66Å; Y128-I182 HydrophobicContact CE1-CG2 4Å; Y128-I182 HydrophobicContact CE2-CD1 4.33Å; Y128-I182 HydrophobicContact CG-CG2 4.3Å; Y162-I182 HydrophobicContact CG-CG2 4.42Å; D178-I182 WeakPolarHBondContact O-CB 3.38Å; D178-I182 VanDerWaalsContact O-CG1 3.25Å; D178-I182 WeakPolarHBondContact O-CG1 3.36Å; D178-I182 PolarHBondContact O-N 2.93Å; V180-I182 PolarHBondContact O-N 3.19Å; I182-I184 PolarHBondContact O-N 3.21Å; I182-K185 PolarHBondContact O-N 2.95Å; I182-Q186 HydrophobicContact CG2-CG 4.45Å; I182-Q186 WeakPolarHBondContact O-CB 3.47Å; I182-Q186 WeakPolarHBondContact O-CG 3.5Å; I182-Q186 PolarHBondContact O-N 3.27Å |
| 183 | T | 91.1 | Very high | 89 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 179.4 | -58.7 | 0 | 0 | 0 | 0 | 112 | P158 V161 Y162 C179 V180 Q186 H187 V210 | P158-T183 HydrophobicContact CB-CG2 4.12Å; P158-T183 HydrophobicContact CG-CG2 4.04Å; V161-T183 HydrophobicContact CG1-CG2 4.39Å; Y162-T183 HydrophobicContact CD2-CG2 4.34Å; Y162-T183 PolarHBondContact N-OG1 3.49Å; C179-T183 WeakPolarHBondContact O-CB 3.35Å; C179-T183 PolarHBondContact O-N 2.7Å; C179-T183 PolarHBondContact O-OG1 3.42Å; V180-T183 PolarHBondContact O-N 2.99Å; T183-Q186 PolarHBondContact O-N 3.39Å; T183-H187 VanDerWaalsContact O-CB 3.24Å; T183-H187 WeakPolarHBondContact O-CB 3.29Å; T183-H187 PolarHBondContact O-N 3.32Å; T183-V210 HydrophobicContact CG2-CG1 3.89Å; T183-V210 HydrophobicContact CG2-CG2 4.17Å |
| 184 | I | 91.4 | Very high | 88.8 | Confident | 16 Ų | 16 | 51.9 Ų | 51.9 | 8% | 0.082 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67 | -43.2 | 179.8 | -66.6 | 172.6 | 0 | 0 | 0 | 110.9 | V180 I182 Q186 H187 T188 V203 M206 E207 V210 | V180-I184 HydrophobicContact CG1-CD1 3.61Å; V180-I184 HydrophobicContact CG1-CG1 4.47Å; V180-I184 WeakPolarHBondContact O-CG1 3.32Å; V180-I184 PolarHBondContact O-N 3.48Å; I182-I184 PolarHBondContact O-N 3.21Å; I184-Q186 PolarHBondContact O-N 3.49Å; I184-H187 PolarHBondContact O-N 3.15Å; I184-T188 WeakPolarHBondContact O-CB 3.24Å; I184-T188 PolarHBondContact O-N 3.15Å; I184-T188 PolarHBondContact O-OG1 3.42Å; I184-V203 HydrophobicContact CG2-CG1 4.47Å; I184-M206 HydrophobicContact CD1-CB 4.38Å; I184-M206 HydrophobicContact CG1-CB 4.38Å; I184-E207 HydrophobicContact CD1-CB 4.13Å; I184-E207 HydrophobicContact CD1-CG 3.38Å; I184-V210 HydrophobicContact CG1-CG2 4.33Å |
| 185 | K | 90.4 | Very high | 88.5 | Confident | 112 Ų | 112 | 51.2 Ų | 51.2 | 49% | 0.487 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.7 | -49.2 | 176.6 | -80.7 | 175.3 | 175.5 | 165.7 | 0 | 111.7 | N181 I182 T188 V189 | N181-K185 WeakPolarHBondContact O-CB 3.21Å; N181-K185 VanDerWaalsContact O-CG 3.27Å; N181-K185 WeakPolarHBondContact O-CG 3.42Å; N181-K185 PolarHBondContact O-N 3.36Å; N181-K185 WeakPolarHBondContact OD1-CE 2.93Å; N181-K185 PolarHBondContact OD1-NZ 2.81Å; I182-K185 PolarHBondContact O-N 2.95Å; K185-T188 PolarHBondContact O-N 3.44Å; K185-V189 WeakPolarHBondContact O-CB 3.16Å; K185-V189 VanDerWaalsContact O-CG2 3.25Å; K185-V189 WeakPolarHBondContact O-CG2 3.45Å; K185-V189 PolarHBondContact O-N 2.03Å |
| 186 | Q | 87.7 | Confident | 88.3 | Confident | 25 Ų | 25 | 54.2 Ų | 54.2 | 12% | 0.117 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.6 | -44.3 | 179.9 | -72.1 | -58.9 | -38.7 | 0 | 0 | 112.4 | L125 Y162 I182 T183 I184 T188 V189 T190 | L125-Q186 HydrophobicContact CD1-CG 3.2Å; L125-Q186 HydrophobicContact CG-CG 4.33Å; Y162-Q186 HydrophobicContact CD2-CB 4.36Å; Y162-Q186 HydrophobicContact CE2-CB 4.08Å; I182-Q186 HydrophobicContact CG2-CG 4.45Å; I182-Q186 WeakPolarHBondContact O-CB 3.47Å; I182-Q186 WeakPolarHBondContact O-CG 3.5Å; I182-Q186 PolarHBondContact O-N 3.27Å; T183-Q186 PolarHBondContact O-N 3.39Å; I184-Q186 PolarHBondContact O-N 3.49Å; Q186-T188 PolarHBondContact O-N 3.19Å; Q186-V189 PolarHBondContact O-N 3.44Å; Q186-T190 WeakPolarHBondContact O-CB 3.49Å; Q186-T190 VanDerWaalsContact O-CG2 3.24Å; Q186-T190 WeakPolarHBondContact O-CG2 3.46Å; Q186-T190 PolarHBondContact O-N 3.39Å; Q186-T190 PolarHBondContact O-OG1 2.82Å |
| 187 | H | 88.3 | Confident | 88.1 | Confident | 33 Ų | 33 | 59.8 Ų | 59.8 | 15% | 0.153 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.7 | -49.6 | 176.8 | -169 | 69.8 | 0 | 0 | 0 | 110.6 | R156 P158 T183 I184 V189 T190 T191 F198 | R156-H187 PolarHBondContact O-CE1 2.68Å; R156-H187 PolarHBondContact O-NE2 3.42Å; P158-H187 HydrophobicContact CG-CB 4.46Å; T183-H187 VanDerWaalsContact O-CB 3.24Å; T183-H187 WeakPolarHBondContact O-CB 3.29Å; T183-H187 PolarHBondContact O-N 3.32Å; I184-H187 PolarHBondContact O-N 3.15Å; H187-V189 PolarHBondContact O-N 2.86Å; H187-T190 PolarHBondContact O-N 3Å; H187-T190 PolarHBondContact O-OG1 2.67Å; H187-T191 WeakPolarHBondContact O-CG2 3.04Å; H187-T191 PolarHBondContact O-N 2.88Å; H187-T191 PolarHBondContact O-OG1 3.33Å; H187-F198 AromaticContact CD2-CE2 3.64Å; H187-F198 AromaticContact CD2-CZ 3.53Å; H187-F198 AromaticContact NE2-CZ 3.5Å |
| 188 | T | 87.5 | Confident | 87.9 | Confident | 39 Ų | 39 | 54.2 Ų | 54.2 | 24% | 0.239 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.2 | -47.3 | 178.1 | -56.1 | 0 | 0 | 0 | 0 | 112.5 | I184 K185 Q186 T190 T191 T192 F198 | I184-T188 WeakPolarHBondContact O-CB 3.24Å; I184-T188 PolarHBondContact O-N 3.15Å; I184-T188 PolarHBondContact O-OG1 3.42Å; K185-T188 PolarHBondContact O-N 3.44Å; Q186-T188 PolarHBondContact O-N 3.19Å; T188-T190 PolarHBondContact O-N 2.78Å; T188-T191 PolarHBondContact O-OG1 3.07Å; T188-T192 WeakPolarHBondContact O-CB 3.4Å; T188-T192 PolarHBondContact O-N 3.41Å; T188-T192 PolarHBondContact O-OG1 3.49Å; T188-F198 HydrophobicContact CG2-CD2 4.1Å |
| 189 | V | 87.4 | Confident | 87.8 | Confident | 87 Ų | 87 | 56 Ų | 56 | 53% | 0.527 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.8 | -44 | 178.7 | 171 | 0 | 0 | 0 | 0 | 111.1 | K185 Q186 H187 T193 | K185-V189 WeakPolarHBondContact O-CB 3.16Å; K185-V189 VanDerWaalsContact O-CG2 3.25Å; K185-V189 WeakPolarHBondContact O-CG2 3.45Å; K185-V189 PolarHBondContact O-N 2.03Å; Q186-V189 PolarHBondContact O-N 3.44Å; H187-V189 PolarHBondContact O-N 2.86Å; V189-T193 WeakPolarHBondContact O-CG2 3.02Å; V189-T193 PolarHBondContact O-N 3.39Å; V189-T193 VanDerWaalsContact O-N 3.17Å; V189-T193 PolarHBondContact O-OG1 3.19Å |
| 190 | T | 84.7 | Confident | 87.6 | Confident | 56 Ų | 56 | 64.3 Ų | 64.3 | 34% | 0.344 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -73.8 | -26.3 | -177.4 | 55.8 | 0 | 0 | 0 | 0 | 114 | Q186 H187 T188 T193 | Q186-T190 WeakPolarHBondContact O-CB 3.49Å; Q186-T190 VanDerWaalsContact O-CG2 3.24Å; Q186-T190 WeakPolarHBondContact O-CG2 3.46Å; Q186-T190 PolarHBondContact O-N 3.39Å; Q186-T190 PolarHBondContact O-OG1 2.82Å; H187-T190 PolarHBondContact O-N 3Å; H187-T190 PolarHBondContact O-OG1 2.67Å; T188-T190 PolarHBondContact O-N 2.78Å; T190-T193 PolarHBondContact O-OG1 3.29Å |
| 191 | T | 84.2 | Confident | 87.4 | Confident | 7 Ų | 7 | 66 Ų | 66 | 4% | 0.043 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -87 | -35.2 | 173.4 | 60 | 0 | 0 | 0 | 0 | 112.3 | H187 T188 T193 K194 G195 E196 F198 | H187-T191 WeakPolarHBondContact O-CG2 3.04Å; H187-T191 PolarHBondContact O-N 2.88Å; H187-T191 PolarHBondContact O-OG1 3.33Å; T188-T191 PolarHBondContact O-OG1 3.07Å; T191-T193 VanDerWaalsContact C-N 3.28Å; T191-T193 PolarHBondContact O-N 2.94Å; T191-K194 CarbonylContact O-C 3.53Å; T191-K194 WeakPolarHBondContact O-CA 3.37Å; T191-K194 WeakPolarHBondContact O-CB 3.24Å; T191-K194 PolarHBondContact O-N 3.06Å; T191-G195 PolarHBondContact O-N 2.85Å; T191-E196 WeakPolarHBondContact CB-OE2 3.18Å; T191-E196 WeakPolarHBondContact CG2-OE2 3.34Å; T191-E196 PolarHBondContact O-N 2.8Å; T191-E196 VanDerWaalsContact O-N 3.15Å; T191-F198 HydrophobicContact CG2-CE2 4.2Å; T191-F198 HydrophobicContact CG2-CZ 3.95Å; T191-F198 WeakPolarHBondContact OG1-CE2 3.34Å; T191-F198 WeakPolarHBondContact OG1-CZ 3.27Å |
| 192 | T | 85.8 | Confident | 87.2 | Confident | 74 Ų | 74 | 63.4 Ų | 63.4 | 45% | 0.454 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.7 | -38 | 175.3 | -58.3 | 0 | 0 | 0 | 0 | 111.6 | T188 K194 G195 E196 | T188-T192 WeakPolarHBondContact O-CB 3.4Å; T188-T192 PolarHBondContact O-N 3.41Å; T188-T192 PolarHBondContact O-OG1 3.49Å; T192-K194 PolarHBondContact O-N 2.98Å; T192-K194 VanDerWaalsContact O-N 3.16Å; T192-G195 PolarHBondContact O-N 2.95Å; T192-E196 VanDerWaalsContact CA-O 3.29Å; T192-E196 WeakPolarHBondContact CA-O 3.32Å |
| 193 | T | 82.4 | Confident | 87.2 | Confident | 113 Ų | 113 | 64.7 Ų | 64.7 | 69% | 0.693 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -17.6 | 172.5 | 47.3 | 0 | 0 | 0 | 0 | 113.8 | V189 T190 T191 | V189-T193 WeakPolarHBondContact O-CG2 3.02Å; V189-T193 PolarHBondContact O-N 3.39Å; V189-T193 VanDerWaalsContact O-N 3.17Å; V189-T193 PolarHBondContact O-OG1 3.19Å; T190-T193 PolarHBondContact O-OG1 3.29Å; T191-T193 VanDerWaalsContact C-N 3.28Å; T191-T193 PolarHBondContact O-N 2.94Å |
| 194 | K | 84.1 | Confident | 87.2 | Confident | 163 Ų | 163 | 69.6 Ų | 69.6 | 71% | 0.709 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | 3.6 | 173.5 | -59 | 174.2 | -174.1 | 174.2 | 0 | 113 | T191 T192 | T191-K194 CarbonylContact O-C 3.53Å; T191-K194 WeakPolarHBondContact O-CA 3.37Å; T191-K194 WeakPolarHBondContact O-CB 3.24Å; T191-K194 PolarHBondContact O-N 3.06Å; T192-K194 PolarHBondContact O-N 2.98Å; T192-K194 VanDerWaalsContact O-N 3.16Å |
| 195 | G | 82.9 | Confident | 87.1 | Confident | 72 Ų | 72 | 68.8 Ų | 68.8 | 74% | 0.742 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.4 | 8.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | T191 T192 | T191-G195 PolarHBondContact O-N 2.85Å; T192-G195 PolarHBondContact O-N 2.95Å |
| 196 | E | 84.3 | Confident | 87.1 | Confident | 67 Ų | 67 | 63.5 Ų | 63.5 | 31% | 0.313 | 35% | 0.353 | S | S | . | . | trans | -80.9 | 141.8 | 170.9 | -66.5 | -164.7 | 105.7 | 0 | 0 | 111 | R156 T191 T192 | R156-E196 IonicContact CZ-OE1 3.7Å; R156-E196 IonicContact NE-OE1 3.79Å; R156-E196 PolarHBondContact NE-OE1 3.15Å; R156-E196 IonicContact NH2-OE1 2.82Å; T191-E196 WeakPolarHBondContact CB-OE2 3.18Å; T191-E196 WeakPolarHBondContact CG2-OE2 3.34Å; T191-E196 PolarHBondContact O-N 2.8Å; T191-E196 VanDerWaalsContact O-N 3.15Å; T192-E196 VanDerWaalsContact CA-O 3.29Å; T192-E196 WeakPolarHBondContact CA-O 3.32Å | ||
| 197 | N | 87.2 | Confident | 87.3 | Confident | 130 Ų | 130 | 66.7 Ų | 66.7 | 70% | 0.695 | 37% | 0.368 | S | S | * | . | trans | -118 | 143.5 | 171.5 | -165.3 | -4.6 | 0 | 0 | 0 | 109.6 | R156 | R156-N197 PolarHBondContact NH2-O 3.3Š| ||
| 198 | F | 87.4 | Confident | 87.4 | Confident | 17 Ų | 17 | 71.4 Ų | 71.4 | 8% | 0.075 | 39% | 0.385 | C | S | . | . | trans | -108.6 | 127.5 | 175.8 | -66.7 | -55.4 | 0 | 0 | 0 | 109.5 | R156 H187 T188 T191 D202 V203 M206 | R156-F198 HydrophobicContact CB-CE1 4.4Å; H187-F198 AromaticContact CD2-CE2 3.64Å; H187-F198 AromaticContact CD2-CZ 3.53Å; H187-F198 AromaticContact NE2-CZ 3.5Å; T188-F198 HydrophobicContact CG2-CD2 4.1Å; T191-F198 HydrophobicContact CG2-CE2 4.2Å; T191-F198 HydrophobicContact CG2-CZ 3.95Å; T191-F198 WeakPolarHBondContact OG1-CE2 3.34Å; T191-F198 WeakPolarHBondContact OG1-CZ 3.27Å; F198-D202 HydrophobicContact CB-CB 4.02Å; F198-D202 HydrophobicContact CD1-CB 4.03Å; F198-D202 HydrophobicContact CG-CB 4.44Å; F198-V203 HydrophobicContact CB-CG2 4.26Å; F198-M206 HydrophobicContact CB-CE 4.06Å; F198-M206 HydrophobicContact CD1-CE 3.97Å; F198-M206 HydrophobicContact CD1-SD 4.5Å; F198-M206 HydrophobicContact CD2-CE 3.82Å; F198-M206 HydrophobicContact CE1-CE 4.38Å; F198-M206 HydrophobicContact CE1-SD 4.35Å; F198-M206 HydrophobicContact CE2-CE 4.19Å; F198-M206 HydrophobicContact CE2-SD 4.36Å; F198-M206 HydrophobicContact CG-CE 3.7Å; F198-M206 HydrophobicContact CZ-SD 4.31Å | ||
| 199 | T | 89.1 | Confident | 87.5 | Confident | 69 Ų | 69 | 69.5 Ų | 69.5 | 42% | 0.423 | 37% | 0.373 | S | S | . | . | trans | -75.7 | 167.1 | 173.7 | 64.8 | 0 | 0 | 0 | 0 | 110.7 | Y149 T201 D202 V203 | Y149-T199 PolarHBondContact OH-OG1 3.2Å; T199-T201 PolarHBondContact O-N 3.11Å; T199-D202 PolarHBondContact N-OD2 2.94Å; T199-D202 WeakPolarHBondContact O-CB 3.33Å; T199-D202 PolarHBondContact O-N 3.48Å; T199-D202 VanDerWaalsContact O-N 3.08Å; T199-D202 PolarHBondContact OG1-N 3.48Å; T199-D202 PolarHBondContact OG1-OD2 3.08Å; T199-V203 WeakPolarHBondContact O-CG2 3.46Å; T199-V203 PolarHBondContact O-N 3.36Å | ||
| 200 | E | 87.6 | Confident | 87.8 | Confident | 176 Ų | 176 | 65.4 Ų | 65.4 | 82% | 0.822 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -57.1 | -36 | 172.9 | -173.1 | 179.7 | 172.8 | 0 | 0 | 111.9 | V203 K204 | E200-V203 PolarHBondContact O-N 3.35Å; E200-K204 WeakPolarHBondContact O-CB 3.25Å; E200-K204 PolarHBondContact O-N 3.46Å |
| 201 | T | 88.1 | Confident | 88.1 | Confident | 56 Ų | 56 | 65.8 Ų | 65.8 | 34% | 0.344 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65 | -42.2 | 175.3 | -54.1 | 0 | 0 | 0 | 0 | 111.5 | Y149 T199 V203 K204 M205 | Y149-T201 HydrophobicContact CD1-CG2 4.12Å; Y149-T201 HydrophobicContact CE1-CG2 3.86Å; T199-T201 PolarHBondContact O-N 3.11Å; T201-V203 VanDerWaalsContact C-N 3.34Å; T201-V203 PolarHBondContact O-N 2.89Å; T201-K204 PolarHBondContact O-N 2.98Å; T201-M205 HydrophobicContact CG2-CE 3.72Å; T201-M205 HydrophobicContact CG2-SD 4.4Å; T201-M205 VanDerWaalsContact O-CG 3.31Å; T201-M205 WeakPolarHBondContact O-CG 3.29Å; T201-M205 PolarHBondContact O-N 2.92Å |
| 202 | D | 89.4 | Confident | 88.3 | Confident | 2 Ų | 2 | 69.3 Ų | 69.3 | 1% | 0.011 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.8 | -44.2 | 175.4 | -69.2 | -57.6 | 0 | 0 | 0 | 111.6 | Y149 Y157 F198 T199 M205 M206 | Y149-D202 PolarHBondContact OH-OD1 3Å; Y149-D202 PolarHBondContact OH-OD2 3.31Å; Y157-D202 HydrophobicContact CE1-CB 4.06Å; Y157-D202 PolarHBondContact OH-OD1 3.3Å; F198-D202 HydrophobicContact CB-CB 4.02Å; F198-D202 HydrophobicContact CD1-CB 4.03Å; F198-D202 HydrophobicContact CG-CB 4.44Å; T199-D202 PolarHBondContact N-OD2 2.94Å; T199-D202 WeakPolarHBondContact O-CB 3.33Å; T199-D202 PolarHBondContact O-N 3.48Å; T199-D202 VanDerWaalsContact O-N 3.08Å; T199-D202 PolarHBondContact OG1-N 3.48Å; T199-D202 PolarHBondContact OG1-OD2 3.08Å; D202-M205 PolarHBondContact O-N 3.48Å; D202-M206 HydrophobicContact CB-CE 4.38Å; D202-M206 WeakPolarHBondContact O-CB 3.25Å; D202-M206 VanDerWaalsContact O-CG 3.27Å; D202-M206 WeakPolarHBondContact O-CG 3.33Å; D202-M206 PolarHBondContact O-N 3.29Å |
| 203 | V | 90.3 | Very high | 88.4 | Confident | 43 Ų | 43 | 65.9 Ų | 65.9 | 26% | 0.261 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.1 | -47.9 | 179.4 | 178.1 | 0 | 0 | 0 | 0 | 110.6 | I184 F198 T199 E200 T201 M205 M206 E207 | I184-V203 HydrophobicContact CG2-CG1 4.47Å; F198-V203 HydrophobicContact CB-CG2 4.26Å; T199-V203 WeakPolarHBondContact O-CG2 3.46Å; T199-V203 PolarHBondContact O-N 3.36Å; E200-V203 PolarHBondContact O-N 3.35Å; T201-V203 VanDerWaalsContact C-N 3.34Å; T201-V203 PolarHBondContact O-N 2.89Å; V203-M205 VanDerWaalsContact C-N 3.28Å; V203-M205 PolarHBondContact O-N 3.38Å; V203-M206 HydrophobicContact CB-CE 4.49Å; V203-M206 HydrophobicContact CG2-CE 4.05Å; V203-M206 PolarHBondContact O-N 3.01Å; V203-E207 WeakPolarHBondContact O-CG 3.37Å; V203-E207 PolarHBondContact O-N 3.42Å |
| 204 | K | 90.7 | Very high | 88.8 | Confident | 104 Ų | 104 | 60.5 Ų | 60.5 | 45% | 0.452 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -56.8 | -41.1 | 175.9 | -176.8 | -170.8 | 175.3 | -162.2 | 0 | 112.2 | E146 E200 T201 R208 | E146-K204 IonicContact OE1-NZ 2.95Å; E146-K204 PolarHBondContact OE1-NZ 3Å; E200-K204 WeakPolarHBondContact O-CB 3.25Å; E200-K204 PolarHBondContact O-N 3.46Å; T201-K204 PolarHBondContact O-N 2.98Å; K204-R208 WeakPolarHBondContact O-CG 3.39Å; K204-R208 PolarHBondContact O-N 3.42Å |
| 205 | M | 90 | Very high | 89 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70.7 | -43.2 | 177.5 | -70.2 | -173.7 | -178.5 | 0 | 0 | 112 | F141 E146 Y149 Y150 Y157 T201 D202 V203 E207 R208 V209 | F141-M205 HydrophobicContact CE1-CB 4.33Å; F141-M205 HydrophobicContact CE1-CG 3.9Å; F141-M205 HydrophobicContact CE2-CG 4.17Å; F141-M205 HydrophobicContact CZ-CB 3.91Å; F141-M205 HydrophobicContact CZ-CG 3.67Å; E146-M205 HydrophobicContact CB-CE 3.71Å; E146-M205 HydrophobicContact CG-CE 3.93Å; E146-M205 VanDerWaalsContact O-CE 3.3Å; E146-M205 WeakPolarHBondContact O-CE 3.37Å; Y149-M205 HydrophobicContact CD1-CE 3.51Å; Y149-M205 HydrophobicContact CD1-SD 3.45Å; Y149-M205 WeakPolarHBondContact CD1-SD 3.17Å; Y149-M205 HydrophobicContact CE1-CE 4.3Å; Y149-M205 HydrophobicContact CE1-SD 3.97Å; Y149-M205 HydrophobicContact CG-CE 4.16Å; Y150-M205 HydrophobicContact CD2-CB 4.31Å; Y150-M205 HydrophobicContact CD2-SD 4.19Å; Y157-M205 HydrophobicContact CE2-CB 4Å; T201-M205 HydrophobicContact CG2-CE 3.72Å; T201-M205 HydrophobicContact CG2-SD 4.4Å; T201-M205 VanDerWaalsContact O-CG 3.31Å; T201-M205 WeakPolarHBondContact O-CG 3.29Å; T201-M205 PolarHBondContact O-N 2.92Å; D202-M205 PolarHBondContact O-N 3.48Å; V203-M205 VanDerWaalsContact C-N 3.28Å; V203-M205 PolarHBondContact O-N 3.38Å; M205-E207 VanDerWaalsContact C-N 3.3Å; M205-E207 PolarHBondContact O-N 2.9Å; M205-R208 PolarHBondContact O-N 2.89Å; M205-V209 WeakPolarHBondContact O-CG2 3.08Å; M205-V209 PolarHBondContact O-N 3.21Å; M205-V209 VanDerWaalsContact O-N 3.15Å |
| 206 | M | 90.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.9 | -42.6 | 175 | -76.8 | -170.9 | -67.9 | 0 | 0 | 111.6 | Y157 I184 F198 D202 V203 R208 V209 V210 | Y157-M206 HydrophobicContact CD1-CG 3.23Å; Y157-M206 HydrophobicContact CD1-SD 3.69Å; Y157-M206 HydrophobicContact CD2-CG 4.28Å; Y157-M206 HydrophobicContact CE1-CG 3.71Å; Y157-M206 HydrophobicContact CE1-SD 4.26Å; Y157-M206 HydrophobicContact CG-CG 3.59Å; Y157-M206 HydrophobicContact CG-SD 4.43Å; I184-M206 HydrophobicContact CD1-CB 4.38Å; I184-M206 HydrophobicContact CG1-CB 4.38Å; F198-M206 HydrophobicContact CB-CE 4.06Å; F198-M206 HydrophobicContact CD1-CE 3.97Å; F198-M206 HydrophobicContact CD1-SD 4.5Å; F198-M206 HydrophobicContact CD2-CE 3.82Å; F198-M206 HydrophobicContact CE1-CE 4.38Å; F198-M206 HydrophobicContact CE1-SD 4.35Å; F198-M206 HydrophobicContact CE2-CE 4.19Å; F198-M206 HydrophobicContact CE2-SD 4.36Å; F198-M206 HydrophobicContact CG-CE 3.7Å; F198-M206 HydrophobicContact CZ-SD 4.31Å; D202-M206 HydrophobicContact CB-CE 4.38Å; D202-M206 WeakPolarHBondContact O-CB 3.25Å; D202-M206 VanDerWaalsContact O-CG 3.27Å; D202-M206 WeakPolarHBondContact O-CG 3.33Å; D202-M206 PolarHBondContact O-N 3.29Å; V203-M206 HydrophobicContact CB-CE 4.49Å; V203-M206 HydrophobicContact CG2-CE 4.05Å; V203-M206 PolarHBondContact O-N 3.01Å; M206-R208 PolarHBondContact O-N 3.42Å; M206-V209 PolarHBondContact O-N 3.22Å; M206-V210 VanDerWaalsContact O-CB 3.25Å; M206-V210 WeakPolarHBondContact O-CB 3.46Å; M206-V210 WeakPolarHBondContact O-CG2 3.49Å; M206-V210 PolarHBondContact O-N 3.42Å |
| 207 | E | 91.5 | Very high | 89 | Confident | 93 Ų | 93 | 59 Ų | 59 | 44% | 0.435 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -52.7 | -51.3 | 176.3 | -75.5 | 175.3 | 173.5 | 0 | 0 | 112.1 | V180 I184 V203 M205 V209 E211 | V180-E207 HydrophobicContact CG1-CG 4.37Å; I184-E207 HydrophobicContact CD1-CB 4.13Å; I184-E207 HydrophobicContact CD1-CG 3.38Å; V203-E207 WeakPolarHBondContact O-CG 3.37Å; V203-E207 PolarHBondContact O-N 3.42Å; M205-E207 VanDerWaalsContact C-N 3.3Å; M205-E207 PolarHBondContact O-N 2.9Å; E207-V209 VanDerWaalsContact C-N 3.35Å; E207-V209 PolarHBondContact O-N 3.22Å; E207-E211 WeakPolarHBondContact O-CB 3.25Å; E207-E211 PolarHBondContact O-N 3.36Å |
| 208 | R | 90.3 | Very high | 89 | Confident | 131 Ų | 131 | 55.4 Ų | 55.4 | 49% | 0.494 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.9 | -37.7 | -177.6 | -59.8 | -67.2 | -80.3 | -166.2 | -8.6 | 112.5 | I139 F141 K204 M205 M206 E211 Q212 | I139-R208 HydrophobicContact CG2-CB 4.22Å; F141-R208 HydrophobicContact CE1-CB 3.91Å; F141-R208 HydrophobicContact CE1-CG 3.79Å; F141-R208 HydrophobicContact CZ-CB 4.24Å; K204-R208 WeakPolarHBondContact O-CG 3.39Å; K204-R208 PolarHBondContact O-N 3.42Å; M205-R208 PolarHBondContact O-N 2.89Å; M206-R208 PolarHBondContact O-N 3.42Å; R208-E211 IonicContact NH1-OE2 3.77Å; R208-Q212 WeakPolarHBondContact O-CG 3.18Å; R208-Q212 PolarHBondContact O-N 3.12Å |
| 209 | V | 90.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -71.9 | -46.2 | -178.3 | 175.3 | 0 | 0 | 0 | 0 | 110.6 | P137 I139 Y150 M205 M206 E207 E211 Q212 M213 | P137-V209 HydrophobicContact CG-CG1 3.89Å; I139-V209 HydrophobicContact CG1-CG2 3.76Å; Y150-V209 HydrophobicContact CD2-CG2 4.22Å; Y150-V209 HydrophobicContact CE2-CG2 3.28Å; Y150-V209 WeakPolarHBondContact OH-CG2 3.3Å; M205-V209 WeakPolarHBondContact O-CG2 3.08Å; M205-V209 PolarHBondContact O-N 3.21Å; M205-V209 VanDerWaalsContact O-N 3.15Å; M206-V209 PolarHBondContact O-N 3.22Å; E207-V209 VanDerWaalsContact C-N 3.35Å; E207-V209 PolarHBondContact O-N 3.22Å; V209-E211 VanDerWaalsContact C-N 3.33Å; V209-Q212 PolarHBondContact O-N 3.21Å; V209-M213 HydrophobicContact CG1-CE 4.06Å; V209-M213 WeakPolarHBondContact O-CG 3.5Å; V209-M213 PolarHBondContact O-N 3.1Å; V209-M213 VanDerWaalsContact O-N 3.09Å |
| 210 | V | 92 | Very high | 89.1 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.6 | -37.7 | 177.5 | 177.4 | 0 | 0 | 0 | 0 | 110.5 | P158 V161 V180 T183 I184 M206 Q212 M213 C214 | P158-V210 HydrophobicContact CG-CG2 3.59Å; V161-V210 HydrophobicContact CG1-CG1 3.97Å; V180-V210 HydrophobicContact CB-CG1 4.25Å; V180-V210 HydrophobicContact CG1-CG1 4.44Å; V180-V210 HydrophobicContact CG2-CB 4.41Å; V180-V210 HydrophobicContact CG2-CG1 3.98Å; T183-V210 HydrophobicContact CG2-CG1 3.89Å; T183-V210 HydrophobicContact CG2-CG2 4.17Å; I184-V210 HydrophobicContact CG1-CG2 4.33Å; M206-V210 VanDerWaalsContact O-CB 3.25Å; M206-V210 WeakPolarHBondContact O-CB 3.46Å; M206-V210 WeakPolarHBondContact O-CG2 3.49Å; M206-V210 PolarHBondContact O-N 3.42Å; V210-Q212 VanDerWaalsContact C-N 3.34Å; V210-Q212 PolarHBondContact O-N 3.05Å; V210-M213 HydrophobicContact CB-CE 4.23Å; V210-M213 HydrophobicContact CG2-CE 3.77Å; V210-M213 CarbonylContact O-C 3.6Å; V210-M213 PolarHBondContact O-N 3.04Å; V210-M213 VanDerWaalsContact O-N 3.15Å; V210-C214 WeakPolarHBondContact O-CB 3.42Å; V210-C214 PolarHBondContact O-N 2.75Å; V210-C214 PolarHBondContact O-SG 3.34Å |
| 211 | E | 91.3 | Very high | 89.2 | Confident | 65 Ų | 65 | 49.8 Ų | 49.8 | 30% | 0.304 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -56.8 | -47.8 | 174.6 | -179.1 | 178.8 | -156.9 | 0 | 0 | 111.2 | V176 V180 E207 R208 V209 M213 C214 I215 | V176-E211 HydrophobicContact CG1-CG 3.91Å; V180-E211 VanDerWaalsContact CG2-CA 3.48Å; V180-E211 HydrophobicContact CG2-CB 3.9Å; E207-E211 WeakPolarHBondContact O-CB 3.25Å; E207-E211 PolarHBondContact O-N 3.36Å; R208-E211 IonicContact NH1-OE2 3.77Å; V209-E211 VanDerWaalsContact C-N 3.33Å; E211-M213 VanDerWaalsContact C-N 3.34Å; E211-M213 PolarHBondContact O-N 3.17Å; E211-C214 PolarHBondContact O-N 3.36Å; E211-I215 HydrophobicContact CG-CD1 4.04Å; E211-I215 VanDerWaalsContact O-CG1 3.29Å; E211-I215 WeakPolarHBondContact O-CG1 3.39Å; E211-I215 PolarHBondContact O-N 3.16Å |
| 212 | Q | 88.9 | Confident | 89.3 | Confident | 81 Ų | 81 | 49.4 Ų | 49.4 | 38% | 0.379 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64 | -38.1 | 176.5 | -67.1 | -52.7 | -62.7 | 0 | 0 | 112.9 | P137 I139 R208 V209 V210 I215 T216 | P137-Q212 HydrophobicContact CB-CB 4.24Å; P137-Q212 HydrophobicContact CG-CB 3.96Å; I139-Q212 HydrophobicContact CD1-CB 4.37Å; I139-Q212 HydrophobicContact CD1-CG 3.59Å; R208-Q212 WeakPolarHBondContact O-CG 3.18Å; R208-Q212 PolarHBondContact O-N 3.12Å; V209-Q212 PolarHBondContact O-N 3.21Å; V210-Q212 VanDerWaalsContact C-N 3.34Å; V210-Q212 PolarHBondContact O-N 3.05Å; Q212-I215 PolarHBondContact O-N 3.43Å; Q212-T216 WeakPolarHBondContact O-CB 3.49Å; Q212-T216 PolarHBondContact O-N 2.58Å; Q212-T216 VanDerWaalsContact O-N 3.15Å; Q212-T216 PolarHBondContact O-OG1 2.98Å |
| 213 | M | 88.6 | Confident | 89.3 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.7 | -40.8 | 175 | -69.4 | -173.5 | -61.3 | 0 | 0 | 111.8 | M134 P137 P158 V161 V209 V210 E211 T216 Q217 | M134-M213 HydrophobicContact CB-CG 4.38Å; M134-M213 HydrophobicContact CB-SD 4.37Å; M134-M213 HydrophobicContact CE-CB 3.86Å; M134-M213 WeakPolarHBondContact CE-O 3.28Å; M134-M213 HydrophobicContact SD-CB 4.07Å; M134-M213 HydrophobicContact SD-CG 4.35Å; P137-M213 HydrophobicContact CG-CG 4.38Å; P158-M213 WeakPolarHBondContact O-CE 3.4Å; V161-M213 HydrophobicContact CG1-CB 3.49Å; V161-M213 VanDerWaalsContact CG1-CB 3.49Å; V161-M213 HydrophobicContact CG1-CE 3.89Å; V161-M213 HydrophobicContact CG1-SD 4.43Å; V209-M213 HydrophobicContact CG1-CE 4.06Å; V209-M213 WeakPolarHBondContact O-CG 3.5Å; V209-M213 PolarHBondContact O-N 3.1Å; V209-M213 VanDerWaalsContact O-N 3.09Å; V210-M213 HydrophobicContact CB-CE 4.23Å; V210-M213 HydrophobicContact CG2-CE 3.77Å; V210-M213 CarbonylContact O-C 3.6Å; V210-M213 PolarHBondContact O-N 3.04Å; V210-M213 VanDerWaalsContact O-N 3.15Å; E211-M213 VanDerWaalsContact C-N 3.34Å; E211-M213 PolarHBondContact O-N 3.17Å; M213-T216 PolarHBondContact O-N 3.47Å; M213-Q217 PolarHBondContact O-N 3.29Å; M213-Q217 VanDerWaalsContact O-N 3.15Å |
| 214 | C | 89.9 | Confident | 89.2 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.9 | -38.1 | 176.4 | -68.5 | 0 | 0 | 0 | 0 | 112.2 | F175 V176 C179 V210 E211 T216 Q217 | F175-C214 WeakPolarHBondContact CE1-O 3.29Å; V176-C214 HydrophobicContact CG1-CB 4.23Å; C179-C214 VanDerWaalsContact C-SG 3.55Å; C179-C214 HydrophobicContact CB-CB 3.76Å; C179-C214 WeakPolarHBondContact CB-SG 3.44Å; C179-C214 WeakPolarHBondContact SG-CB 2.85Å; C179-C214 CovalentContact SG-SG 2.03Å; C179-C214 PolarHBondContact SG-SG 3.33Å; V210-C214 WeakPolarHBondContact O-CB 3.42Å; V210-C214 PolarHBondContact O-N 2.75Å; V210-C214 PolarHBondContact O-SG 3.34Å; E211-C214 PolarHBondContact O-N 3.36Å; C214-T216 VanDerWaalsContact C-N 3.26Å; C214-T216 PolarHBondContact O-N 2.73Å; C214-Q217 PolarHBondContact O-N 2.9Å |
| 215 | I | 88 | Confident | 89.1 | Confident | 78 Ų | 78 | 49.3 Ų | 49.3 | 40% | 0.4 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.4 | -31.2 | 174.7 | -68 | 163.4 | 0 | 0 | 0 | 111.7 | V176 E211 Q212 | V176-I215 HydrophobicContact CG1-CG1 4.14Å; V176-I215 HydrophobicContact CG2-CG1 3.85Å; E211-I215 HydrophobicContact CG-CD1 4.04Å; E211-I215 VanDerWaalsContact O-CG1 3.29Å; E211-I215 WeakPolarHBondContact O-CG1 3.39Å; E211-I215 PolarHBondContact O-N 3.16Å; Q212-I215 PolarHBondContact O-N 3.43Å |
| 216 | T | 86.6 | Confident | 89 | Confident | 106 Ų | 106 | 53.4 Ų | 53.4 | 65% | 0.65 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -77.6 | -24.5 | -179.1 | -57.8 | 0 | 0 | 0 | 0 | 112.7 | M134 Q212 M213 C214 | M134-T216 HydrophobicContact SD-CG2 3.98Å; Q212-T216 WeakPolarHBondContact O-CB 3.49Å; Q212-T216 PolarHBondContact O-N 2.58Å; Q212-T216 VanDerWaalsContact O-N 3.15Å; Q212-T216 PolarHBondContact O-OG1 2.98Å; M213-T216 PolarHBondContact O-N 3.47Å; C214-T216 VanDerWaalsContact C-N 3.26Å; C214-T216 PolarHBondContact O-N 2.73Å |
| 217 | Q | 80 | Confident | 88.9 | Confident | 85 Ų | 85 | 58.3 Ų | 58.3 | 40% | 0.397 | 28% | 0.279 | S | S | . | . | trans | -74.9 | 0 | -175.4 | -171.6 | 53.7 | 91 | 0 | 0 | 112.7 | M134 V161 Y163 M213 C214 | M134-Q217 HydrophobicContact CE-CB 4.25Å; V161-Q217 HydrophobicContact CG2-CB 4.3Å; V161-Q217 HydrophobicContact CG2-CG 4.35Å; Y163-Q217 HydrophobicContact CD1-CG 3.92Å; Y163-Q217 HydrophobicContact CD2-CG 4.41Å; Y163-Q217 HydrophobicContact CE1-CG 4.01Å; Y163-Q217 HydrophobicContact CE2-CG 4.48Å; Y163-Q217 HydrophobicContact CG-CG 4.14Å; M213-Q217 PolarHBondContact O-N 3.29Å; M213-Q217 VanDerWaalsContact O-N 3.15Å; C214-Q217 PolarHBondContact O-N 2.9Å |
Retrieved 217 of 217 residues in 35 ms
(Link to these results)