| 1 | M | 40.3 | Very low | 37.6 | Very low | 210 Ų | 210 | 154.1 Ų | 154.1 | 100% | 1.034 | 81% | 0.808 | S | S | * | * | | | | 0 | -18.9 | 0 | -84.3 | -174.8 | -177.6 | 0 | 0 | 114.6 | I3 L222 | M1-I3 VanDerWaalsContact C-N 3.35Å; M1-I3 PolarHBondContact O-N 3.47Å; M1-L222 HydrophobicContact CE-CD2 4.48Å |
| 2 | N | 35.5 | Very low | 37.6 | Very low | 169 Ų | 169 | 149 Ų | 149 | 90% | 0.904 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | 21.3 | -178.5 | -75.3 | -9.2 | 0 | 0 | 0 | 116.4 | | |
| 3 | I | 44.7 | Very low | 37.6 | Very low | 163 Ų | 163 | 146.7 Ų | 146.7 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.3 | -6.2 | -174.6 | -58.7 | 174.4 | 0 | 0 | 0 | 112.2 | M1 | M1-I3 VanDerWaalsContact C-N 3.35Å; M1-I3 PolarHBondContact O-N 3.47Å |
| 4 | L | 43.3 | Very low | 37.9 | Very low | 138 Ų | 138 | 146 Ų | 146 | 72% | 0.723 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -107.1 | -2.9 | -166.4 | -115.9 | 82 | 0 | 0 | 0 | 117.7 | | |
| 5 | F | 39.4 | Very low | 38.1 | Very low | 184 Ų | 184 | 140 Ų | 140 | 81% | 0.807 | 75% | 0.749 | S | S | * | * | | | trans | -143.7 | 106.3 | 177.7 | -73.9 | -81 | 0 | 0 | 0 | 111.7 | Y7 | F5-Y7 PolarHBondContact O-N 3.43Š|
| 6 | P | 35.2 | Very low | 38.4 | Very low | 115 Ų | 115 | 137.3 Ų | 137.3 | 75% | 0.747 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -82.3 | 10.6 | 176.8 | 31.2 | -30 | 0 | 0 | 0 | 113.8 | | |
| 7 | Y | 36.5 | Very low | 38.7 | Very low | 188 Ų | 188 | 137.6 Ų | 137.6 | 74% | 0.737 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -140.1 | 116.5 | 176.5 | -67.1 | -80.7 | 0 | 0 | 0 | 111.2 | F5 I9 | F5-Y7 PolarHBondContact O-N 3.43Å; Y7-I9 PolarHBondContact O-N 3.24Å |
| 8 | S | 35.6 | Very low | 39.3 | Very low | 127 Ų | 127 | 138.3 Ų | 138.3 | 89% | 0.888 | 72% | 0.72 | S | S | * | * | | | trans | -70.6 | 90.9 | 167.3 | -56.7 | 0 | 0 | 0 | 0 | 109 | P10 | S8-P10 WeakPolarHBondContact O-CD 3.39Š|
| 9 | I | 36.1 | Very low | 39.9 | Very low | 139 Ų | 139 | 136.2 Ų | 136.2 | 71% | 0.713 | 71% | 0.71 | S | S | * | * | | | trans | -67.1 | 119.9 | 162.8 | -61 | 172.4 | 0 | 0 | 0 | 105.9 | Y7 I11 | Y7-I9 PolarHBondContact O-N 3.24Å; I9-I11 PolarHBondContact O-N 3.04Å |
| 10 | P | 32.9 | Very low | 40.9 | Very low | 117 Ų | 117 | 134.8 Ų | 134.8 | 76% | 0.76 | 70% | 0.699 | S | S | * | * | | | trans | -66.3 | 100.2 | 175 | 25.7 | -29.9 | 0 | 0 | 0 | 108 | S8 P12 | S8-P10 WeakPolarHBondContact O-CD 3.39Å; P10-P12 WeakPolarHBondContact O-CD 3.33Å |
| 11 | I | 33.9 | Very low | 41.4 | Very low | 145 Ų | 145 | 131.8 Ų | 131.8 | 74% | 0.744 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 121.2 | 166.2 | -59.6 | 173.5 | 0 | 0 | 0 | 105.4 | I9 L13 | I9-I11 PolarHBondContact O-N 3.04Å; I11-L13 PolarHBondContact O-N 3.41Å |
| 12 | P | 37.3 | Very low | 41.9 | Very low | 93 Ų | 93 | 125.1 Ų | 125.1 | 60% | 0.604 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 116.8 | 171.8 | -16.9 | 28.2 | 0 | 0 | 0 | 107.2 | P10 L14 | P10-P12 WeakPolarHBondContact O-CD 3.33Å; P12-L14 PolarHBondContact O-N 3.25Å |
| 13 | L | 37.8 | Very low | 42.6 | Very low | 119 Ų | 119 | 119.8 Ų | 119.8 | 62% | 0.623 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 136.9 | 173.2 | -75 | 162.3 | 0 | 0 | 0 | 108 | I11 S15 N16 | I11-L13 PolarHBondContact O-N 3.41Å; L13-S15 VanDerWaalsContact CB-OG 3.27Å; L13-S15 WeakPolarHBondContact CB-OG 3.44Å; L13-S15 PolarHBondContact O-N 2.89Å; L13-N16 WeakPolarHBondContact O-CB 3.2Å; L13-N16 PolarHBondContact O-N 3.17Å |
| 14 | L | 41.8 | Very low | 42.8 | Very low | 137 Ų | 137 | 117.1 Ų | 117.1 | 72% | 0.717 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -50.9 | -28.8 | 177.2 | -115.2 | 90.7 | 0 | 0 | 0 | 111.7 | P12 N16 F17 Y18 | P12-L14 PolarHBondContact O-N 3.25Å; L14-N16 PolarHBondContact O-N 3.48Å; L14-F17 PolarHBondContact O-N 3.26Å; L14-Y18 WeakPolarHBondContact O-CB 3.36Å; L14-Y18 PolarHBondContact O-N 3.42Å |
| 15 | S | 41 | Very low | 42.8 | Very low | 56 Ų | 56 | 114.9 Ų | 114.9 | 39% | 0.392 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -56.5 | -43.2 | 171.9 | 58.3 | 0 | 0 | 0 | 0 | 112.8 | L13 F17 Y18 D19 | L13-S15 VanDerWaalsContact CB-OG 3.27Å; L13-S15 WeakPolarHBondContact CB-OG 3.44Å; L13-S15 PolarHBondContact O-N 2.89Å; S15-F17 VanDerWaalsContact C-N 3.3Å; S15-F17 PolarHBondContact O-N 2.92Å; S15-Y18 PolarHBondContact O-N 3.05Å; S15-D19 VanDerWaalsContact O-CB 3.32Å; S15-D19 WeakPolarHBondContact O-CB 3.35Å; S15-D19 VanDerWaalsContact O-CG 3.23Å; S15-D19 PolarHBondContact O-N 3.23Å |
| 16 | N | 43.3 | Very low | 43.1 | Very low | 97 Ų | 97 | 110.9 Ų | 110.9 | 52% | 0.519 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -68.5 | -30 | -179.8 | -67.6 | -7.8 | 0 | 0 | 0 | 112.3 | L13 L14 H20 | L13-N16 WeakPolarHBondContact O-CB 3.2Å; L13-N16 PolarHBondContact O-N 3.17Å; L14-N16 PolarHBondContact O-N 3.48Å; N16-H20 WeakPolarHBondContact O-CB 3.31Å; N16-H20 PolarHBondContact O-N 2.92Å |
| 17 | F | 43.3 | Very low | 43.5 | Very low | 142 Ų | 142 | 110.8 Ų | 110.8 | 62% | 0.623 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -77.8 | -37.6 | 174.6 | -155.9 | -97.4 | 0 | 0 | 0 | 111.3 | L14 S15 H20 I21 | L14-F17 PolarHBondContact O-N 3.26Å; S15-F17 VanDerWaalsContact C-N 3.3Å; S15-F17 PolarHBondContact O-N 2.92Å; F17-H20 PolarHBondContact O-N 2.93Å; F17-I21 HydrophobicContact CD1-CD1 3.75Å; F17-I21 HydrophobicContact CE1-CD1 3.65Å; F17-I21 WeakPolarHBondContact O-CG1 3.47Å; F17-I21 PolarHBondContact O-N 3.47Å; F17-I21 VanDerWaalsContact O-N 3.11Å |
| 18 | Y | 48.8 | Very low | 43.8 | Very low | 150 Ų | 150 | 107.9 Ų | 107.9 | 59% | 0.588 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -67.6 | -44.4 | 175.6 | -157.3 | -93.8 | 0 | 0 | 0 | 111.7 | L14 S15 H20 I21 M22 | L14-Y18 WeakPolarHBondContact O-CB 3.36Å; L14-Y18 PolarHBondContact O-N 3.42Å; S15-Y18 PolarHBondContact O-N 3.05Å; Y18-H20 VanDerWaalsContact C-N 3.33Å; Y18-H20 PolarHBondContact O-N 3.3Å; Y18-I21 PolarHBondContact O-N 3.34Å; Y18-M22 HydrophobicContact CD1-CG 3.75Å; Y18-M22 HydrophobicContact CE1-CE 3.91Å; Y18-M22 HydrophobicContact CE1-CG 3.68Å; Y18-M22 HydrophobicContact CE1-SD 4.24Å; Y18-M22 HydrophobicContact CE2-CE 4.31Å; Y18-M22 WeakPolarHBondContact O-CB 3.26Å; Y18-M22 VanDerWaalsContact O-CG 3.25Å; Y18-M22 WeakPolarHBondContact O-CG 3.37Å; Y18-M22 PolarHBondContact O-N 3.41Å |
| 19 | D | 50.7 | Low | 44.1 | Very low | 99 Ų | 99 | 108.1 Ų | 108.1 | 53% | 0.529 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.5 | -35 | 175.5 | -70.9 | -20.1 | 0 | 0 | 0 | 111.7 | S15 S23 | S15-D19 VanDerWaalsContact O-CB 3.32Å; S15-D19 WeakPolarHBondContact O-CB 3.35Å; S15-D19 VanDerWaalsContact O-CG 3.23Å; S15-D19 PolarHBondContact O-N 3.23Å; D19-S23 WeakPolarHBondContact O-CB 3.39Å; D19-S23 PolarHBondContact O-N 2.91Å; D19-S23 PolarHBondContact O-OG 3.5Å |
| 20 | H | 60.5 | Low | 44.1 | Very low | 107 Ų | 107 | 108.8 Ų | 108.8 | 50% | 0.495 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.6 | -42.7 | 174.1 | -168.9 | 63.1 | 0 | 0 | 0 | 111.7 | N16 F17 Y18 S23 Q24 | N16-H20 WeakPolarHBondContact O-CB 3.31Å; N16-H20 PolarHBondContact O-N 2.92Å; F17-H20 PolarHBondContact O-N 2.93Å; Y18-H20 VanDerWaalsContact C-N 3.33Å; Y18-H20 PolarHBondContact O-N 3.3Å; H20-S23 PolarHBondContact O-OG 3.16Å; H20-S23 VanDerWaalsContact O-OG 3.06Å; H20-Q24 WeakPolarHBondContact O-CG 3.49Å; H20-Q24 PolarHBondContact O-N 3.14Å; H20-Q24 VanDerWaalsContact O-N 3.17Å |
| 21 | I | 51.2 | Low | 44.1 | Very low | 72 Ų | 72 | 108.4 Ų | 108.4 | 37% | 0.369 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68.4 | -42.9 | 176.3 | -67.7 | 174.6 | 0 | 0 | 0 | 111.2 | F17 Y18 Q24 Q25 | F17-I21 HydrophobicContact CD1-CD1 3.75Å; F17-I21 HydrophobicContact CE1-CD1 3.65Å; F17-I21 WeakPolarHBondContact O-CG1 3.47Å; F17-I21 PolarHBondContact O-N 3.47Å; F17-I21 VanDerWaalsContact O-N 3.11Å; Y18-I21 PolarHBondContact O-N 3.34Å; I21-Q24 PolarHBondContact O-N 2.9Å; I21-Q25 WeakPolarHBondContact O-CG 3.34Å; I21-Q25 PolarHBondContact O-N 3.42Å |
| 22 | M | 50.1 | Low | 44.1 | Very low | 70 Ų | 70 | 107 Ų | 107 | 35% | 0.345 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -69.1 | -36.2 | 178.8 | -69.4 | -65.3 | 139.2 | 0 | 0 | 112 | Y18 Q25 N26 | Y18-M22 HydrophobicContact CD1-CG 3.75Å; Y18-M22 HydrophobicContact CE1-CE 3.91Å; Y18-M22 HydrophobicContact CE1-CG 3.68Å; Y18-M22 HydrophobicContact CE1-SD 4.24Å; Y18-M22 HydrophobicContact CE2-CE 4.31Å; Y18-M22 WeakPolarHBondContact O-CB 3.26Å; Y18-M22 VanDerWaalsContact O-CG 3.25Å; Y18-M22 WeakPolarHBondContact O-CG 3.37Å; Y18-M22 PolarHBondContact O-N 3.41Å; M22-Q25 PolarHBondContact O-N 2.97Å; M22-N26 WeakPolarHBondContact O-CB 3.4Å; M22-N26 PolarHBondContact O-N 3.04Å |
| 23 | S | 50.2 | Low | 44.2 | Very low | 57 Ų | 57 | 108 Ų | 108 | 40% | 0.399 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.4 | -38 | 174.2 | 75.4 | 0 | 0 | 0 | 0 | 112.1 | D19 H20 Q25 N26 V27 | D19-S23 WeakPolarHBondContact O-CB 3.39Å; D19-S23 PolarHBondContact O-N 2.91Å; D19-S23 PolarHBondContact O-OG 3.5Å; H20-S23 PolarHBondContact O-OG 3.16Å; H20-S23 VanDerWaalsContact O-OG 3.06Å; S23-Q25 VanDerWaalsContact C-N 3.28Å; S23-Q25 PolarHBondContact O-N 3.01Å; S23-N26 PolarHBondContact O-N 3.4Å; S23-V27 WeakPolarHBondContact O-CB 3.48Å; S23-V27 WeakPolarHBondContact O-CG2 3.09Å; S23-V27 PolarHBondContact O-N 3.33Å |
| 24 | Q | 49.7 | Very low | 43.9 | Very low | 107 Ų | 107 | 113.5 Ų | 113.5 | 50% | 0.5 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -68.5 | -27.5 | 174 | -67.8 | -90.8 | 27.6 | 0 | 0 | 112.2 | H20 I21 N28 | H20-Q24 WeakPolarHBondContact O-CG 3.49Å; H20-Q24 PolarHBondContact O-N 3.14Å; H20-Q24 VanDerWaalsContact O-N 3.17Å; I21-Q24 PolarHBondContact O-N 2.9Å; Q24-N28 PolarHBondContact O-ND2 3.19Å |
| 25 | Q | 44.4 | Very low | 43.5 | Very low | 92 Ų | 92 | 112.1 Ų | 112.1 | 43% | 0.43 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -79.2 | -30.8 | 173 | -74.7 | 179.9 | -12.6 | 0 | 0 | 112.8 | I21 M22 S23 N29 | I21-Q25 WeakPolarHBondContact O-CG 3.34Å; I21-Q25 PolarHBondContact O-N 3.42Å; M22-Q25 PolarHBondContact O-N 2.97Å; S23-Q25 VanDerWaalsContact C-N 3.28Å; S23-Q25 PolarHBondContact O-N 3.01Å; Q25-N29 PolarHBondContact O-ND2 3.47Å |
| 26 | N | 44 | Very low | 43.2 | Very low | 100 Ų | 100 | 114.5 Ų | 114.5 | 54% | 0.535 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -83 | -32 | -179.4 | -143.8 | 18.5 | 0 | 0 | 0 | 112.8 | M22 S23 N28 N29 | M22-N26 WeakPolarHBondContact O-CB 3.4Å; M22-N26 PolarHBondContact O-N 3.04Å; S23-N26 PolarHBondContact O-N 3.4Å; N26-N28 PolarHBondContact O-N 2.87Å; N26-N29 PolarHBondContact O-N 2.93Å |
| 27 | V | 44.9 | Very low | 42.9 | Very low | 113 Ų | 113 | 116.1 Ų | 116.1 | 69% | 0.685 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | -19.3 | 175.9 | 175.2 | 0 | 0 | 0 | 0 | 112.3 | S23 | S23-V27 WeakPolarHBondContact O-CB 3.48Å; S23-V27 WeakPolarHBondContact O-CG2 3.09Å; S23-V27 PolarHBondContact O-N 3.33Å |
| 28 | N | 43.3 | Very low | 42.6 | Very low | 126 Ų | 126 | 114.4 Ų | 114.4 | 67% | 0.674 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | -0.2 | 177.8 | -67.6 | -43.9 | 0 | 0 | 0 | 113.9 | Q24 N26 | Q24-N28 PolarHBondContact O-ND2 3.19Å; N26-N28 PolarHBondContact O-N 2.87Å |
| 29 | N | 41 | Very low | 41.9 | Very low | 133 Ų | 133 | 112.6 Ų | 112.6 | 71% | 0.711 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.5 | 1.8 | -176.5 | -81.4 | -22.6 | 0 | 0 | 0 | 114.6 | Q25 N26 | Q25-N29 PolarHBondContact O-ND2 3.47Å; N26-N29 PolarHBondContact O-N 2.93Å |
| 30 | E | 35.1 | Very low | 41 | Very low | 152 Ų | 152 | 112.2 Ų | 112.2 | 71% | 0.71 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -101.8 | 101.9 | 173.2 | -72.6 | -164.8 | 159.5 | 0 | 0 | 112.5 | | |
| 31 | S | 34.2 | Very low | 39.7 | Very low | 110 Ų | 110 | 113 Ų | 113 | 77% | 0.769 | 67% | 0.666 | S | S | * | * | | | trans | 72.2 | 100.3 | 144 | 64.1 | 0 | 0 | 0 | 0 | 119.7 | | |
| 32 | S | 33.9 | Very low | 38.6 | Very low | 114 Ų | 114 | 115 Ų | 115 | 80% | 0.797 | 69% | 0.686 | S | S | * | * | | | trans | -114.9 | 115.4 | 144.8 | 178.7 | 0 | 0 | 0 | 0 | 108.5 | | |
| 33 | P | 38.2 | Very low | 37.7 | Very low | 116 Ų | 116 | 117.4 Ų | 117.4 | 75% | 0.753 | 71% | 0.707 | S | S | * | * | | | trans | -86.6 | 122.9 | 169.2 | 30.4 | -25 | 0 | 0 | 0 | 110.7 | | |
| 34 | Y | 32.2 | Very low | 36.5 | Very low | 234 Ų | 234 | 120 Ų | 120 | 92% | 0.918 | 73% | 0.725 | S | S | * | * | | | trans | -34.4 | 145.5 | 168.7 | -73.4 | -98.9 | 0 | 0 | 0 | 116.5 | | |
| 35 | S | 33.2 | Very low | 35.5 | Very low | 108 Ų | 108 | 120.2 Ų | 120.2 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | | | | -177.1 | 128.1 | 119.5 | -174.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 36 | S | 36.2 | Very low | 34.7 | Very low | 105 Ų | 105 | 120.6 Ų | 120.6 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | | | trans | 68.2 | 100.8 | 147 | 49.9 | 0 | 0 | 0 | 0 | 122.3 | | |
| 37 | T | 35.3 | Very low | 33.8 | Very low | 132 Ų | 132 | 121.1 Ų | 121.1 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | | | trans | -62.2 | -175 | 149.7 | 40.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 38 | P | 38.1 | Very low | 32.9 | Very low | 106 Ų | 106 | 121.3 Ų | 121.3 | 69% | 0.688 | 77% | 0.766 | S | S | * | * | | | cis | -145.1 | 177.2 | 9.1 | 30.6 | -5.4 | 0 | 0 | 0 | 118.9 | | |
| 39 | S | 32.9 | Very low | 32 | Very low | 112 Ų | 112 | 119.8 Ų | 119.8 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | | | trans | 72 | 140.2 | 143.7 | 36.6 | 0 | 0 | 0 | 0 | 119.6 | | |
| 40 | A | 32.4 | Very low | 31.2 | Very low | 91 Ų | 91 | 122.6 Ų | 122.6 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | | | cis | -167.5 | 151.2 | -0.5 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 41 | S | 33.4 | Very low | 30.9 | Very low | 123 Ų | 123 | 122.9 Ų | 122.9 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | | | trans | 147.9 | 115.4 | 141.4 | 65.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 42 | S | 27.9 | Very low | 30.4 | Very low | 114 Ų | 114 | 121.9 Ų | 121.9 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | | | trans | -59.7 | 157.9 | 175.8 | 48.2 | 0 | 0 | 0 | 0 | 114.6 | | |
| 43 | P | 30.9 | Very low | 30 | Very low | 121 Ų | 121 | 121.4 Ų | 121.4 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | | | | -140.1 | 149.7 | 93.6 | 32.3 | -15.1 | 0 | 0 | 0 | 115.1 | | |
| 44 | S | 25.6 | Very low | 29.4 | Very low | 111 Ų | 111 | 123.2 Ų | 123.2 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | | | trans | -53.5 | 149.4 | 171.5 | 42.8 | 0 | 0 | 0 | 0 | 114.6 | | |
| 45 | P | 29 | Very low | 29.2 | Very low | 111 Ų | 111 | 116.2 Ų | 116.2 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | | | | -149.3 | 144.9 | 113.3 | 38.7 | -21.7 | 0 | 0 | 0 | 116.4 | | |
| 46 | S | 27.3 | Very low | 29 | Very low | 100 Ų | 100 | 117.1 Ų | 117.1 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | | | trans | 45.1 | 114.1 | 137.8 | 65.3 | 0 | 0 | 0 | 0 | 122 | | |
| 47 | S | 24.8 | Very low | 29.1 | Very low | 111 Ų | 111 | 116.9 Ų | 116.9 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | | | trans | 47.2 | 91.6 | 136.4 | 56.6 | 0 | 0 | 0 | 0 | 118.8 | | |
| 48 | S | 26.8 | Very low | 29.3 | Very low | 117 Ų | 117 | 114.7 Ų | 114.7 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | | | trans | -157.3 | 132.8 | 147.4 | -82.9 | 0 | 0 | 0 | 0 | 109.6 | M50 | S48-M50 PolarHBondContact O-N 2.75Š|
| 49 | A | 24.5 | Very low | 29.6 | Very low | 95 Ų | 95 | 113.8 Ų | 113.8 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | | | trans | -54.8 | 105.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L51 | A49-L51 PolarHBondContact O-N 2.76Š|
| 50 | M | 24.2 | Very low | 29.8 | Very low | 192 Ų | 192 | 118.4 Ų | 118.4 | 95% | 0.946 | 75% | 0.751 | S | S | * | * | | | trans | -77.1 | 80.7 | 163.1 | -72.5 | -168.3 | 76.5 | 0 | 0 | 108.4 | S48 | S48-M50 PolarHBondContact O-N 2.75Š|
| 51 | L | 27.3 | Very low | 30.1 | Very low | 157 Ų | 157 | 116.2 Ų | 116.2 | 82% | 0.822 | 73% | 0.73 | S | S | * | * | | | trans | -78.4 | 122.2 | 162.7 | -85 | 165.9 | 0 | 0 | 0 | 108.5 | A49 A53 | A49-L51 PolarHBondContact O-N 2.76Å; L51-A53 PolarHBondContact O-N 3.09Å |
| 52 | A | 24.6 | Very low | 30.4 | Very low | 89 Ų | 89 | 112.1 Ų | 112.1 | 74% | 0.736 | 70% | 0.696 | S | S | * | * | | | trans | -43.2 | 116.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | N54 | A52-N54 PolarHBondContact O-N 2.81Š|
| 53 | A | 26.4 | Very low | 31.1 | Very low | 104 Ų | 104 | 109.8 Ų | 109.8 | 86% | 0.86 | 67% | 0.674 | S | S | * | * | | | trans | -78.2 | 39 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L51 | L51-A53 PolarHBondContact O-N 3.09Š|
| 54 | N | 25.1 | Very low | 31.9 | Very low | 154 Ų | 154 | 107.4 Ų | 107.4 | 82% | 0.824 | 66% | 0.655 | S | S | * | * | | | trans | -121.5 | 67.7 | 176.1 | -82.6 | -3 | 0 | 0 | 0 | 109.8 | A52 | A52-N54 PolarHBondContact O-N 2.81Š|
| 55 | S | 28 | Very low | 32.6 | Very low | 87 Ų | 87 | 103.9 Ų | 103.9 | 61% | 0.608 | 63% | 0.632 | S | S | * | * | | | trans | -169.6 | 119.7 | 154.9 | -174.1 | 0 | 0 | 0 | 0 | 107.8 | T57 | S55-T57 PolarHBondContact O-N 2.65Š|
| 56 | T | 28.9 | Very low | 33.4 | Very low | 127 Ų | 127 | 100 Ų | 100 | 78% | 0.779 | 61% | 0.605 | S | S | * | * | | | trans | -61.6 | 77.9 | 164.5 | 44.4 | 0 | 0 | 0 | 0 | 108.1 | L58 | T56-L58 PolarHBondContact O-N 3.22Š|
| 57 | T | 37.5 | Very low | 34.3 | Very low | 101 Ų | 101 | 100.2 Ų | 100.2 | 62% | 0.62 | 60% | 0.595 | S | S | * | * | | | trans | -72.8 | 115 | -178.3 | 43.1 | 0 | 0 | 0 | 0 | 107.4 | S55 | S55-T57 PolarHBondContact O-N 2.65Š|
| 58 | L | 39.7 | Very low | 35.5 | Very low | 85 Ų | 85 | 99 Ų | 99 | 45% | 0.445 | 58% | 0.579 | S | S | . | * | | | trans | -48.5 | 156.7 | 164.5 | -74.5 | 108.7 | 0 | 0 | 0 | 109.7 | T56 R60 Y62 N63 | T56-L58 PolarHBondContact O-N 3.22Å; L58-R60 PolarHBondContact O-N 2.86Å; L58-Y62 HydrophobicContact CB-CD1 3.37Å; L58-Y62 HydrophobicContact CB-CE1 4.09Å; L58-Y62 HydrophobicContact CB-CG 3.78Å; L58-Y62 HydrophobicContact CD1-CD1 4.15Å; L58-Y62 HydrophobicContact CD1-CE1 4Å; L58-Y62 HydrophobicContact CD2-CD1 3.55Å; L58-Y62 HydrophobicContact CD2-CD2 4.03Å; L58-Y62 HydrophobicContact CD2-CE1 3.52Å; L58-Y62 HydrophobicContact CD2-CE2 3.98Å; L58-Y62 HydrophobicContact CD2-CG 3.82Å; L58-Y62 HydrophobicContact CG-CD1 3.85Å; L58-Y62 HydrophobicContact CG-CE1 4.05Å; L58-Y62 HydrophobicContact CG-CG 4.37Å; L58-N63 PolarHBondContact O-ND2 2.78Å |
| 59 | P | 43.8 | Very low | 36.7 | Very low | 87 Ų | 87 | 94.6 Ų | 94.6 | 57% | 0.565 | 55% | 0.546 | S | S | * | . | | | trans | -44.2 | 138.4 | -178 | -28.1 | 33.6 | 0 | 0 | 0 | 111 | S61 Y62 N63 | P59-S61 CarbonylContact O-C 3.58Å; P59-S61 PolarHBondContact O-N 3.27Å; P59-Y62 VanDerWaalsContact O-CA 3.3Å; P59-Y62 WeakPolarHBondContact O-CA 3.43Å; P59-Y62 WeakPolarHBondContact O-CB 3.4Å; P59-Y62 PolarHBondContact O-N 3.41Å; P59-N63 PolarHBondContact O-N 3.01Å; P59-N63 VanDerWaalsContact O-N 3.12Å |
| 60 | R | 38.4 | Very low | 37.8 | Very low | 209 Ų | 209 | 94.2 Ų | 94.2 | 79% | 0.789 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -53.1 | -28.3 | -177.4 | -156.9 | 172.8 | -175.8 | 171 | -1.3 | 112.8 | L58 L64 | L58-R60 PolarHBondContact O-N 2.86Å; R60-L64 WeakPolarHBondContact O-CB 3.43Å; R60-L64 PolarHBondContact O-N 3.27Å |
| 61 | S | 37.9 | Very low | 38.9 | Very low | 46 Ų | 46 | 87.8 Ų | 87.8 | 32% | 0.322 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.7 | -36.1 | 170.5 | 50.6 | 0 | 0 | 0 | 0 | 114.4 | P59 A65 | P59-S61 CarbonylContact O-C 3.58Å; P59-S61 PolarHBondContact O-N 3.27Å; S61-A65 WeakPolarHBondContact O-CB 3.41Å; S61-A65 PolarHBondContact O-N 3.38Å |
| 62 | Y | 39.4 | Very low | 39.7 | Very low | 36 Ų | 36 | 82.7 Ų | 82.7 | 14% | 0.141 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -66 | -45 | 171.5 | -175.6 | -85.7 | 0 | 0 | 0 | 111 | L58 P59 L64 A65 M66 L105 L110 | L58-Y62 HydrophobicContact CB-CD1 3.37Å; L58-Y62 HydrophobicContact CB-CE1 4.09Å; L58-Y62 HydrophobicContact CB-CG 3.78Å; L58-Y62 HydrophobicContact CD1-CD1 4.15Å; L58-Y62 HydrophobicContact CD1-CE1 4Å; L58-Y62 HydrophobicContact CD2-CD1 3.55Å; L58-Y62 HydrophobicContact CD2-CD2 4.03Å; L58-Y62 HydrophobicContact CD2-CE1 3.52Å; L58-Y62 HydrophobicContact CD2-CE2 3.98Å; L58-Y62 HydrophobicContact CD2-CG 3.82Å; L58-Y62 HydrophobicContact CG-CD1 3.85Å; L58-Y62 HydrophobicContact CG-CE1 4.05Å; L58-Y62 HydrophobicContact CG-CG 4.37Å; P59-Y62 VanDerWaalsContact O-CA 3.3Å; P59-Y62 WeakPolarHBondContact O-CA 3.43Å; P59-Y62 WeakPolarHBondContact O-CB 3.4Å; P59-Y62 PolarHBondContact O-N 3.41Å; Y62-L64 VanDerWaalsContact C-N 3.33Å; Y62-L64 PolarHBondContact O-N 3.34Å; Y62-A65 PolarHBondContact O-N 3.33Å; Y62-M66 HydrophobicContact CD1-CG 3.79Å; Y62-M66 HydrophobicContact CE1-CG 3.4Å; Y62-M66 VanDerWaalsContact CE1-CG 3.4Å; Y62-M66 HydrophobicContact CE1-SD 4.05Å; Y62-M66 WeakPolarHBondContact O-CB 3.31Å; Y62-M66 VanDerWaalsContact O-CG 3.29Å; Y62-M66 WeakPolarHBondContact O-CG 3.47Å; Y62-M66 PolarHBondContact O-N 3.36Å; Y62-L105 PolarHBondContact OH-O 3.1Å; Y62-L110 HydrophobicContact CE2-CD2 4.14Å |
| 63 | N | 43.4 | Very low | 40.5 | Very low | 65 Ų | 65 | 79.6 Ų | 79.6 | 35% | 0.348 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.4 | -40.4 | 177 | -66.2 | -21.9 | 0 | 0 | 0 | 111.6 | L58 P59 M66 E67 | L58-N63 PolarHBondContact O-ND2 2.78Å; P59-N63 PolarHBondContact O-N 3.01Å; P59-N63 VanDerWaalsContact O-N 3.12Å; N63-M66 WeakPolarHBondContact O-CB 3.34Å; N63-M66 PolarHBondContact O-N 3.2Å; N63-E67 WeakPolarHBondContact O-CB 3.41Å; N63-E67 PolarHBondContact O-N 2.94Å |
| 64 | L | 46.6 | Very low | 41.3 | Very low | 72 Ų | 72 | 77 Ų | 77 | 38% | 0.377 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.8 | -43.5 | 173.9 | -177.2 | 68.5 | 0 | 0 | 0 | 112.1 | R60 Y62 M66 E67 I68 | R60-L64 WeakPolarHBondContact O-CB 3.43Å; R60-L64 PolarHBondContact O-N 3.27Å; Y62-L64 VanDerWaalsContact C-N 3.33Å; Y62-L64 PolarHBondContact O-N 3.34Å; L64-M66 VanDerWaalsContact C-N 3.32Å; L64-M66 PolarHBondContact O-N 3.09Å; L64-E67 PolarHBondContact O-N 3Å; L64-I68 HydrophobicContact CG-CD1 4.12Å; L64-I68 VanDerWaalsContact O-CG1 3.28Å; L64-I68 WeakPolarHBondContact O-CG1 3.38Å; L64-I68 PolarHBondContact O-N 2.99Å |
| 65 | A | 41.7 | Very low | 42 | Very low | 36 Ų | 36 | 73.5 Ų | 73.5 | 30% | 0.298 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | S61 Y62 I68 L69 | S61-A65 WeakPolarHBondContact O-CB 3.41Å; S61-A65 PolarHBondContact O-N 3.38Å; Y62-A65 PolarHBondContact O-N 3.33Å; A65-I68 PolarHBondContact O-N 2.84Å; A65-L69 WeakPolarHBondContact O-CB 3.43Å; A65-L69 VanDerWaalsContact O-CD1 3.32Å; A65-L69 WeakPolarHBondContact O-CD1 3.05Å; A65-L69 PolarHBondContact O-N 3.44Å |
| 66 | M | 44.5 | Very low | 42.7 | Very low | 30 Ų | 30 | 72.5 Ų | 72.5 | 15% | 0.148 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 174.9 | -75.1 | -59 | -57.7 | 0 | 0 | 112.1 | Y62 N63 L64 L69 H70 L105 L110 | Y62-M66 HydrophobicContact CD1-CG 3.79Å; Y62-M66 HydrophobicContact CE1-CG 3.4Å; Y62-M66 VanDerWaalsContact CE1-CG 3.4Å; Y62-M66 HydrophobicContact CE1-SD 4.05Å; Y62-M66 WeakPolarHBondContact O-CB 3.31Å; Y62-M66 VanDerWaalsContact O-CG 3.29Å; Y62-M66 WeakPolarHBondContact O-CG 3.47Å; Y62-M66 PolarHBondContact O-N 3.36Å; N63-M66 WeakPolarHBondContact O-CB 3.34Å; N63-M66 PolarHBondContact O-N 3.2Å; L64-M66 VanDerWaalsContact C-N 3.32Å; L64-M66 PolarHBondContact O-N 3.09Å; M66-L69 WeakPolarHBondContact O-CB 3.45Å; M66-L69 PolarHBondContact O-N 2.9Å; M66-H70 WeakPolarHBondContact O-CB 3.17Å; M66-H70 PolarHBondContact O-CD2 3.25Å; M66-H70 VanDerWaalsContact O-CD2 3.22Å; M66-H70 PolarHBondContact O-N 3.26Å; M66-L105 HydrophobicContact CE-CD1 3.62Å; M66-L105 HydrophobicContact SD-CD1 4.4Å; M66-L110 HydrophobicContact SD-CD1 3.99Å |
| 67 | E | 47.1 | Very low | 43.2 | Very low | 105 Ų | 105 | 73 Ų | 73 | 49% | 0.491 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.8 | -42.5 | 177.7 | -170.9 | 177.5 | 174.5 | 0 | 0 | 111.9 | N63 L64 L69 H70 T71 | N63-E67 WeakPolarHBondContact O-CB 3.41Å; N63-E67 PolarHBondContact O-N 2.94Å; L64-E67 PolarHBondContact O-N 3Å; E67-L69 VanDerWaalsContact C-N 3.34Å; E67-L69 PolarHBondContact O-N 3.48Å; E67-H70 PolarHBondContact O-N 3.3Å; E67-T71 WeakPolarHBondContact O-CB 3.29Å; E67-T71 PolarHBondContact O-N 3.21Å; E67-T71 PolarHBondContact O-OG1 2.99Å |
| 68 | I | 49.8 | Very low | 43.3 | Very low | 85 Ų | 85 | 72.4 Ų | 72.4 | 44% | 0.436 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.4 | -46.2 | 173 | -69.4 | 166.5 | 0 | 0 | 0 | 110.2 | L64 A65 T71 L72 | L64-I68 HydrophobicContact CG-CD1 4.12Å; L64-I68 VanDerWaalsContact O-CG1 3.28Å; L64-I68 WeakPolarHBondContact O-CG1 3.38Å; L64-I68 PolarHBondContact O-N 2.99Å; A65-I68 PolarHBondContact O-N 2.84Å; I68-T71 PolarHBondContact O-N 2.79Å; I68-L72 HydrophobicContact CG2-CD1 3.77Å; I68-L72 WeakPolarHBondContact O-CB 3.44Å; I68-L72 WeakPolarHBondContact O-CD1 3.48Å; I68-L72 PolarHBondContact O-N 2.86Å |
| 69 | L | 51.5 | Low | 43.4 | Very low | 25 Ų | 25 | 72.5 Ų | 72.5 | 13% | 0.131 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.9 | -45.9 | 176.9 | -96.3 | 135.9 | 0 | 0 | 0 | 112.9 | A65 M66 E67 T71 L72 A73 L110 L114 M117 | A65-L69 WeakPolarHBondContact O-CB 3.43Å; A65-L69 VanDerWaalsContact O-CD1 3.32Å; A65-L69 WeakPolarHBondContact O-CD1 3.05Å; A65-L69 PolarHBondContact O-N 3.44Å; M66-L69 WeakPolarHBondContact O-CB 3.45Å; M66-L69 PolarHBondContact O-N 2.9Å; E67-L69 VanDerWaalsContact C-N 3.34Å; E67-L69 PolarHBondContact O-N 3.48Å; L69-T71 VanDerWaalsContact C-N 3.28Å; L69-T71 PolarHBondContact O-N 3.39Å; L69-L72 PolarHBondContact O-N 2.87Å; L69-A73 WeakPolarHBondContact O-CB 3.47Å; L69-A73 PolarHBondContact O-N 2.96Å; L69-L110 HydrophobicContact CD1-CD1 3.39Å; L69-L114 HydrophobicContact CD1-CD2 4.27Å; L69-L114 HydrophobicContact CD2-CD2 4.09Å; L69-L114 HydrophobicContact CD2-CG 4.46Å; L69-L114 HydrophobicContact CG-CD2 4.39Å; L69-M117 HydrophobicContact CD2-CE 3.3Å; L69-M117 HydrophobicContact CG-CE 4.11Å |
| 70 | H | 47.9 | Very low | 43.3 | Very low | 86 Ų | 86 | 74.1 Ų | 74.1 | 40% | 0.398 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.5 | -41.5 | 176.2 | -92 | -78.3 | 0 | 0 | 0 | 111.3 | M66 E67 A73 A74 | M66-H70 WeakPolarHBondContact O-CB 3.17Å; M66-H70 PolarHBondContact O-CD2 3.25Å; M66-H70 VanDerWaalsContact O-CD2 3.22Å; M66-H70 PolarHBondContact O-N 3.26Å; E67-H70 PolarHBondContact O-N 3.3Å; H70-A73 PolarHBondContact O-N 3.11Å; H70-A74 VanDerWaalsContact O-CB 3.26Å; H70-A74 WeakPolarHBondContact O-CB 3.49Å; H70-A74 PolarHBondContact O-N 3.31Å |
| 71 | T | 46.5 | Very low | 43.5 | Very low | 58 Ų | 58 | 67.7 Ų | 67.7 | 36% | 0.356 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -68 | -40.9 | 178.9 | -52.8 | 0 | 0 | 0 | 0 | 111.6 | E67 I68 L69 R75 F136 | E67-T71 WeakPolarHBondContact O-CB 3.29Å; E67-T71 PolarHBondContact O-N 3.21Å; E67-T71 PolarHBondContact O-OG1 2.99Å; I68-T71 PolarHBondContact O-N 2.79Å; L69-T71 VanDerWaalsContact C-N 3.28Å; L69-T71 PolarHBondContact O-N 3.39Å; T71-R75 PolarHBondContact O-N 2.96Å; T71-R75 VanDerWaalsContact O-N 3.09Å; T71-F136 HydrophobicContact CG2-CE2 3.88Å |
| 72 | L | 45.7 | Very low | 43.6 | Very low | 49 Ų | 49 | 71.7 Ų | 71.7 | 26% | 0.257 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.4 | -45.9 | 174.5 | -91.2 | 147.7 | 0 | 0 | 0 | 112.2 | I68 L69 R75 Q76 M117 W192 | I68-L72 HydrophobicContact CG2-CD1 3.77Å; I68-L72 WeakPolarHBondContact O-CB 3.44Å; I68-L72 WeakPolarHBondContact O-CD1 3.48Å; I68-L72 PolarHBondContact O-N 2.86Å; L69-L72 PolarHBondContact O-N 2.87Å; L72-R75 PolarHBondContact O-N 2.73Å; L72-Q76 PolarHBondContact O-N 2.72Å; L72-M117 HydrophobicContact CB-SD 4.29Å; L72-W192 HydrophobicContact CD1-CH2 4.36Å; L72-W192 HydrophobicContact CD1-CZ3 4.12Å; L72-W192 HydrophobicContact CD2-CH2 3.8Å; L72-W192 HydrophobicContact CD2-CZ2 4.46Å; L72-W192 HydrophobicContact CD2-CZ3 4.38Å |
| 73 | A | 40.5 | Very low | 43.5 | Very low | 24 Ų | 24 | 73.1 Ų | 73.1 | 20% | 0.198 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64.1 | -42.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L69 H70 R75 Q76 Y77 | L69-A73 WeakPolarHBondContact O-CB 3.47Å; L69-A73 PolarHBondContact O-N 2.96Å; H70-A73 PolarHBondContact O-N 3.11Å; A73-R75 VanDerWaalsContact C-N 3.26Å; A73-R75 PolarHBondContact O-N 3.26Å; A73-Q76 PolarHBondContact O-N 2.92Å; A73-Y77 PolarHBondContact O-N 3.19Å |
| 74 | A | 42.9 | Very low | 43.4 | Very low | 51 Ų | 51 | 72.5 Ų | 72.5 | 42% | 0.421 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61 | -36.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | H70 N78 | H70-A74 VanDerWaalsContact O-CB 3.26Å; H70-A74 WeakPolarHBondContact O-CB 3.49Å; H70-A74 PolarHBondContact O-N 3.31Å; A74-N78 WeakPolarHBondContact O-CB 3.43Å; A74-N78 PolarHBondContact O-N 3.44Å; A74-N78 PolarHBondContact O-ND2 2.89Å |
| 75 | R | 41.1 | Very low | 42.9 | Very low | 80 Ų | 80 | 75.1 Ų | 75.1 | 30% | 0.302 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -72.1 | -38.5 | 176 | -125.4 | -179.3 | -178.3 | -174.8 | 0.4 | 112.9 | T71 L72 A73 Y77 N78 Q79 | T71-R75 PolarHBondContact O-N 2.96Å; T71-R75 VanDerWaalsContact O-N 3.09Å; L72-R75 PolarHBondContact O-N 2.73Å; A73-R75 VanDerWaalsContact C-N 3.26Å; A73-R75 PolarHBondContact O-N 3.26Å; R75-Y77 VanDerWaalsContact C-N 3.35Å; R75-N78 PolarHBondContact O-N 2.91Å; R75-Q79 WeakPolarHBondContact O-CG 3.49Å; R75-Q79 PolarHBondContact O-N 3.22Å |
| 76 | Q | 40.8 | Very low | 42.9 | Very low | 65 Ų | 65 | 82.1 Ų | 82.1 | 30% | 0.304 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 173 | -78.6 | -168.4 | -45.8 | 0 | 0 | 111.4 | L72 A73 Q79 H80 S120 | L72-Q76 PolarHBondContact O-N 2.72Å; A73-Q76 PolarHBondContact O-N 2.92Å; Q76-Q79 PolarHBondContact O-N 3.24Å; Q76-H80 WeakPolarHBondContact O-CB 3.32Å; Q76-H80 PolarHBondContact O-N 2.87Å; Q76-S120 PolarHBondContact NE2-OG 2.96Å |
| 77 | Y | 41.4 | Very low | 42.4 | Very low | 137 Ų | 137 | 89.4 Ų | 89.4 | 54% | 0.537 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.1 | -45.8 | 175.6 | -176.8 | -97.2 | 0 | 0 | 0 | 111.8 | A73 R75 Q79 H80 L81 | A73-Y77 PolarHBondContact O-N 3.19Å; R75-Y77 VanDerWaalsContact C-N 3.35Å; Y77-Q79 VanDerWaalsContact C-N 3.34Å; Y77-Q79 PolarHBondContact O-N 3.35Å; Y77-H80 PolarHBondContact O-N 3.45Å; Y77-L81 HydrophobicContact CE1-CD1 4.08Å; Y77-L81 HydrophobicContact CE1-CD2 4.37Å; Y77-L81 HydrophobicContact CE2-CD1 4.45Å; Y77-L81 PolarHBondContact O-N 2.91Å |
| 78 | N | 38.9 | Very low | 41.7 | Very low | 89 Ų | 89 | 92.1 Ų | 92.1 | 48% | 0.476 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.5 | -35.3 | 176.9 | -77 | -43.8 | 0 | 0 | 0 | 112.8 | A74 R75 L82 | A74-N78 WeakPolarHBondContact O-CB 3.43Å; A74-N78 PolarHBondContact O-N 3.44Å; A74-N78 PolarHBondContact O-ND2 2.89Å; R75-N78 PolarHBondContact O-N 2.91Å; N78-L82 WeakPolarHBondContact O-CB 3.42Å; N78-L82 WeakPolarHBondContact O-CD1 3.2Å; N78-L82 VanDerWaalsContact O-CG 3.31Å; N78-L82 WeakPolarHBondContact O-CG 3.23Å; N78-L82 PolarHBondContact O-N 2.96Å |
| 79 | Q | 41.1 | Very low | 40.6 | Very low | 88 Ų | 88 | 93 Ų | 93 | 41% | 0.411 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -71.2 | -34.7 | 172.8 | -75.1 | -169.1 | 12.1 | 0 | 0 | 112.8 | R75 Q76 Y77 L82 A83 | R75-Q79 WeakPolarHBondContact O-CG 3.49Å; R75-Q79 PolarHBondContact O-N 3.22Å; Q76-Q79 PolarHBondContact O-N 3.24Å; Y77-Q79 VanDerWaalsContact C-N 3.34Å; Y77-Q79 PolarHBondContact O-N 3.35Å; Q79-L82 PolarHBondContact O-N 2.98Å; Q79-A83 WeakPolarHBondContact O-CB 3.41Å; Q79-A83 PolarHBondContact O-N 2.86Å |
| 80 | H | 42.3 | Very low | 39.6 | Very low | 121 Ų | 121 | 98.9 Ų | 98.9 | 56% | 0.56 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.5 | -39.5 | 174.5 | -168.2 | -88.2 | 0 | 0 | 0 | 111.1 | Q76 Y77 A83 S84 | Q76-H80 WeakPolarHBondContact O-CB 3.32Å; Q76-H80 PolarHBondContact O-N 2.87Å; Y77-H80 PolarHBondContact O-N 3.45Å; H80-A83 PolarHBondContact O-N 3.34Å; H80-S84 WeakPolarHBondContact O-CB 3.28Å; H80-S84 PolarHBondContact O-N 3.06Å; H80-S84 PolarHBondContact O-OG 3.29Å |
| 81 | L | 41.5 | Very low | 38.7 | Very low | 73 Ų | 73 | 100.8 Ų | 100.8 | 38% | 0.382 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.8 | -46.2 | 174.4 | -128.8 | 73.4 | 0 | 0 | 0 | 111.9 | Y77 A83 S84 D85 | Y77-L81 HydrophobicContact CE1-CD1 4.08Å; Y77-L81 HydrophobicContact CE1-CD2 4.37Å; Y77-L81 HydrophobicContact CE2-CD1 4.45Å; Y77-L81 PolarHBondContact O-N 2.91Å; L81-A83 VanDerWaalsContact C-N 3.32Å; L81-A83 PolarHBondContact O-N 3.34Å; L81-S84 WeakPolarHBondContact CA-OG 3.48Å; L81-S84 PolarHBondContact O-N 2.59Å; L81-S84 PolarHBondContact O-OG 3.41Å; L81-D85 PolarHBondContact O-N 3.3Å |
| 82 | L | 40.8 | Very low | 37.9 | Very low | 131 Ų | 131 | 103.7 Ų | 103.7 | 69% | 0.686 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -68.9 | -26.5 | 178.5 | -75.9 | 160.8 | 0 | 0 | 0 | 113.5 | N78 Q79 | N78-L82 WeakPolarHBondContact O-CB 3.42Å; N78-L82 WeakPolarHBondContact O-CD1 3.2Å; N78-L82 VanDerWaalsContact O-CG 3.31Å; N78-L82 WeakPolarHBondContact O-CG 3.23Å; N78-L82 PolarHBondContact O-N 2.96Å; Q79-L82 PolarHBondContact O-N 2.98Å |
| 83 | A | 38.4 | Very low | 37.4 | Very low | 66 Ų | 66 | 109.8 Ų | 109.8 | 55% | 0.545 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -86.1 | -26.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q79 H80 L81 | Q79-A83 WeakPolarHBondContact O-CB 3.41Å; Q79-A83 PolarHBondContact O-N 2.86Å; H80-A83 PolarHBondContact O-N 3.34Å; L81-A83 VanDerWaalsContact C-N 3.32Å; L81-A83 PolarHBondContact O-N 3.34Å |
| 84 | S | 40.4 | Very low | 36.8 | Very low | 51 Ų | 51 | 115.1 Ų | 115.1 | 36% | 0.357 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -76.4 | -25 | 175.5 | 53.4 | 0 | 0 | 0 | 0 | 113.3 | H80 L81 Q86 K87 | H80-S84 WeakPolarHBondContact O-CB 3.28Å; H80-S84 PolarHBondContact O-N 3.06Å; H80-S84 PolarHBondContact O-OG 3.29Å; L81-S84 WeakPolarHBondContact CA-OG 3.48Å; L81-S84 PolarHBondContact O-N 2.59Å; L81-S84 PolarHBondContact O-OG 3.41Å; S84-Q86 PolarHBondContact O-N 3.5Å; S84-Q86 VanDerWaalsContact O-N 3.17Å; S84-K87 PolarHBondContact O-N 2.96Å |
| 85 | D | 36.5 | Very low | 36.1 | Very low | 128 Ų | 128 | 118.1 Ų | 118.1 | 68% | 0.684 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -5 | 179.7 | -73.8 | -19.3 | 0 | 0 | 0 | 114.3 | L81 | L81-D85 PolarHBondContact O-N 3.3Š|
| 86 | Q | 40.8 | Very low | 35.5 | Very low | 182 Ų | 182 | 122.6 Ų | 122.6 | 85% | 0.85 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.6 | 3.8 | 173.5 | -74.8 | -166.3 | -12.5 | 0 | 0 | 114.9 | S84 | S84-Q86 PolarHBondContact O-N 3.5Å; S84-Q86 VanDerWaalsContact O-N 3.17Å |
| 87 | K | 34.7 | Very low | 34.9 | Very low | 184 Ų | 184 | 127.9 Ų | 127.9 | 80% | 0.8 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -126.6 | 89.8 | 169.5 | -87.4 | -176.6 | 175.6 | 176.9 | 0 | 110 | S84 S89 | S84-K87 PolarHBondContact O-N 2.96Å; K87-S89 PolarHBondContact O-N 3.37Å |
| 88 | N | 31.7 | Very low | 34.3 | Very low | 161 Ų | 161 | 126 Ų | 126 | 86% | 0.861 | 67% | 0.667 | S | S | * | * | | | trans | -39 | 131.2 | 167.7 | -83.1 | -25.9 | 0 | 0 | 0 | 112.5 | | |
| 89 | S | 27.8 | Very low | 33.8 | Very low | 103 Ų | 103 | 126.1 Ų | 126.1 | 72% | 0.72 | 67% | 0.673 | S | S | * | * | S | Bend | trans | 69 | 125 | 148 | -173.4 | 0 | 0 | 0 | 0 | 116.2 | K87 | K87-S89 PolarHBondContact O-N 3.37Š|
| 90 | I | 31 | Very low | 33.3 | Very low | 149 Ų | 149 | 125.3 Ų | 125.3 | 76% | 0.764 | 67% | 0.668 | S | S | * | * | | | trans | 117.5 | 111.6 | 163.9 | -56.6 | 152.2 | 0 | 0 | 0 | 112.3 | | |
| 91 | N | 28.6 | Very low | 32.9 | Very low | 126 Ų | 126 | 127 Ų | 127 | 67% | 0.674 | 68% | 0.676 | S | S | * | * | | | trans | 98.8 | 68.8 | 171.3 | -55.6 | -17.2 | 0 | 0 | 0 | 117.6 | E93 | N91-E93 PolarHBondContact O-N 2.95Š|
| 92 | S | 29.8 | Very low | 32.2 | Very low | 119 Ų | 119 | 128.9 Ų | 128.9 | 83% | 0.832 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 27.8 | 164.9 | 64.9 | 0 | 0 | 0 | 0 | 114.7 | | |
| 93 | E | 33.9 | Very low | 31.9 | Very low | 177 Ų | 177 | 128.7 Ų | 128.7 | 83% | 0.827 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.9 | 0.4 | 179.3 | -83.5 | -169.3 | 156.1 | 0 | 0 | 114.2 | N91 S95 | N91-E93 PolarHBondContact O-N 2.95Å; E93-S95 PolarHBondContact O-N 3.38Å |
| 94 | I | 29.5 | Very low | 31.6 | Very low | 137 Ų | 137 | 131.3 Ų | 131.3 | 70% | 0.703 | 71% | 0.707 | S | S | * | * | | | trans | -93.5 | 39.9 | 175 | -44.9 | 176.6 | 0 | 0 | 0 | 110.6 | Q96 | I94-Q96 PolarHBondContact O-N 2.92Š|
| 95 | S | 27.1 | Very low | 31.6 | Very low | 113 Ų | 113 | 130.5 Ų | 130.5 | 79% | 0.79 | 70% | 0.698 | S | S | * | * | | | trans | -86.6 | 50.6 | 159 | -66.9 | 0 | 0 | 0 | 0 | 109.9 | E93 K97 | E93-S95 PolarHBondContact O-N 3.38Å; S95-K97 VanDerWaalsContact C-N 3.27Å; S95-K97 PolarHBondContact O-N 3.42Å |
| 96 | Q | 29.2 | Very low | 31.7 | Very low | 175 Ų | 175 | 127.5 Ų | 127.5 | 82% | 0.818 | 68% | 0.682 | S | S | * | * | | | trans | -77.5 | 91.4 | 161.2 | -79.9 | -171.1 | 5.6 | 0 | 0 | 107.6 | I94 L98 | I94-Q96 PolarHBondContact O-N 2.92Å; Q96-L98 PolarHBondContact O-N 2.99Å |
| 97 | K | 27.8 | Very low | 31.8 | Very low | 175 Ų | 175 | 122.4 Ų | 122.4 | 76% | 0.761 | 66% | 0.66 | S | S | * | * | | | trans | -42.1 | 102.9 | 160 | -159.6 | -179.5 | -172.7 | -166.9 | 0 | 107.4 | S95 P99 | S95-K97 VanDerWaalsContact C-N 3.27Å; S95-K97 PolarHBondContact O-N 3.42Å; K97-P99 WeakPolarHBondContact O-CD 3.47Å; K97-P99 VanDerWaalsContact O-N 3.09Å |
| 98 | L | 29.3 | Very low | 32.3 | Very low | 98 Ų | 98 | 118.3 Ų | 118.3 | 51% | 0.513 | 64% | 0.644 | S | S | . | * | | | trans | -55.4 | 120.6 | 174.2 | -89.3 | 146 | 0 | 0 | 0 | 106.7 | Q96 F100 | Q96-L98 PolarHBondContact O-N 2.99Å; L98-F100 HydrophobicContact CB-CD2 3.49Å; L98-F100 VanDerWaalsContact CB-CD2 3.49Å; L98-F100 HydrophobicContact CB-CE2 3.58Å; L98-F100 HydrophobicContact CB-CG 4.47Å; L98-F100 HydrophobicContact CD1-CE2 3.94Å; L98-F100 HydrophobicContact CD2-CD2 4.3Å; L98-F100 HydrophobicContact CD2-CE2 3.54Å; L98-F100 HydrophobicContact CD2-CZ 3.89Å; L98-F100 HydrophobicContact CG-CD2 4.3Å; L98-F100 HydrophobicContact CG-CE2 3.86Å; L98-F100 PolarHBondContact O-N 3.12Å |
| 99 | P | 27.9 | Very low | 33 | Very low | 92 Ų | 92 | 113.4 Ų | 113.4 | 60% | 0.597 | 62% | 0.617 | S | S | * | * | | | trans | -78.2 | 69.2 | -175.8 | 32.7 | -33 | 0 | 0 | 0 | 108.3 | K97 | K97-P99 WeakPolarHBondContact O-CD 3.47Å; K97-P99 VanDerWaalsContact O-N 3.09Å |
| 100 | F | 30.9 | Very low | 33.8 | Very low | 71 Ų | 71 | 109.3 Ų | 109.3 | 31% | 0.311 | 59% | 0.588 | S | S | . | * | | | trans | -92.7 | -8.8 | 174 | -74 | -57 | 0 | 0 | 0 | 112.6 | L98 Y113 | L98-F100 HydrophobicContact CB-CD2 3.49Å; L98-F100 VanDerWaalsContact CB-CD2 3.49Å; L98-F100 HydrophobicContact CB-CE2 3.58Å; L98-F100 HydrophobicContact CB-CG 4.47Å; L98-F100 HydrophobicContact CD1-CE2 3.94Å; L98-F100 HydrophobicContact CD2-CD2 4.3Å; L98-F100 HydrophobicContact CD2-CE2 3.54Å; L98-F100 HydrophobicContact CD2-CZ 3.89Å; L98-F100 HydrophobicContact CG-CD2 4.3Å; L98-F100 HydrophobicContact CG-CE2 3.86Å; L98-F100 PolarHBondContact O-N 3.12Å; F100-Y113 HydrophobicContact CE1-CD1 4.4Å; F100-Y113 AromaticContact CE1-CE1 3.85Å; F100-Y113 HydrophobicContact CE1-CE1 3.85Å; F100-Y113 HydrophobicContact CZ-CD1 4.3Å; F100-Y113 AromaticContact CZ-CE1 3.8Å; F100-Y113 HydrophobicContact CZ-CE1 3.8Å |
| 101 | E | 32.5 | Very low | 34.4 | Very low | 155 Ų | 155 | 102.5 Ų | 102.5 | 72% | 0.724 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -86.6 | 116.1 | 164.3 | -80.8 | 176 | 133.5 | 0 | 0 | 108.6 | | |
| 102 | S | 28.7 | Very low | 35.3 | Very low | 114 Ų | 114 | 100.9 Ų | 100.9 | 80% | 0.797 | 54% | 0.544 | S | S | * | . | S | Bend | trans | 95.5 | 9.4 | 157.4 | 80.3 | 0 | 0 | 0 | 0 | 122.5 | | |
| 103 | L | 33.3 | Very low | 36.3 | Very low | 126 Ų | 126 | 98.5 Ų | 98.5 | 66% | 0.66 | 52% | 0.517 | S | S | * | . | | | trans | -109.8 | 124 | 172.7 | -117.3 | 73.8 | 0 | 0 | 0 | 113.6 | L105 | L103-L105 PolarHBondContact O-N 3.47Š|
| 104 | P | 33.1 | Very low | 36.9 | Very low | 122 Ų | 122 | 91.1 Ų | 91.1 | 79% | 0.792 | 48% | 0.483 | S | S | * | . | | | trans | -64.5 | 100.7 | 169.7 | 25.5 | -30.1 | 0 | 0 | 0 | 108.8 | N106 | P104-N106 PolarHBondContact O-N 2.84Å; P104-N106 VanDerWaalsContact O-N 3.15Å |
| 105 | L | 39 | Very low | 37.8 | Very low | 34 Ų | 34 | 87.3 Ų | 87.3 | 18% | 0.178 | 46% | 0.464 | C | S | . | . | | | trans | -66.6 | 111.7 | 178.5 | -73.9 | 156.4 | 0 | 0 | 0 | 108.8 | Y62 M66 L103 N109 Y113 | Y62-L105 PolarHBondContact OH-O 3.1Å; M66-L105 HydrophobicContact CE-CD1 3.62Å; M66-L105 HydrophobicContact SD-CD1 4.4Å; L103-L105 PolarHBondContact O-N 3.47Å; L105-N109 HydrophobicContact CB-CB 4.38Å; L105-N109 HydrophobicContact CD2-CB 3.43Å; L105-N109 VanDerWaalsContact CD2-CB 3.43Å; L105-Y113 HydrophobicContact CD2-CD2 3.9Å; L105-Y113 HydrophobicContact CD2-CE2 3.47Å; L105-Y113 VanDerWaalsContact CD2-CE2 3.47Å |
| 106 | N | 39.9 | Very low | 38.7 | Very low | 65 Ų | 65 | 86.8 Ų | 86.8 | 35% | 0.348 | 45% | 0.452 | S | S | . | . | | | trans | -68.4 | 162.9 | 167.1 | 92.5 | 1.6 | 0 | 0 | 0 | 109.3 | P104 Q108 N109 L110 | P104-N106 PolarHBondContact O-N 2.84Å; P104-N106 VanDerWaalsContact O-N 3.15Å; N106-Q108 PolarHBondContact ND2-OE1 3.06Å; N106-Q108 PolarHBondContact O-N 2.81Å; N106-Q108 VanDerWaalsContact O-N 3.11Å; N106-Q108 WeakPolarHBondContact OD1-CA 2.98Å; N106-Q108 WeakPolarHBondContact OD1-CB 3.49Å; N106-Q108 WeakPolarHBondContact OD1-CG 3.37Å; N106-Q108 PolarHBondContact OD1-N 3.49Å; N106-N109 PolarHBondContact O-N 2.76Å; N106-N109 PolarHBondContact OD1-N 3.32Å; N106-L110 PolarHBondContact O-N 2.96Å; N106-L110 VanDerWaalsContact O-N 3.16Å |
| 107 | L | 42 | Very low | 39.3 | Very low | 74 Ų | 74 | 79.3 Ų | 79.3 | 39% | 0.387 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -56.9 | -28 | -179.9 | -151.6 | 113.7 | 0 | 0 | 0 | 113.3 | S111 Q213 M217 | L107-S111 PolarHBondContact O-N 3.27Å; L107-S111 PolarHBondContact O-OG 3.15Å; L107-Q213 HydrophobicContact CD2-CB 4.02Å; L107-M217 HydrophobicContact CD2-SD 4.19Å |
| 108 | Q | 44.5 | Very low | 40 | Very low | 99 Ų | 99 | 71.8 Ų | 71.8 | 46% | 0.463 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -68.6 | -40.3 | 174.5 | -41.2 | -178.1 | -64.3 | 0 | 0 | 111.7 | N106 S111 L112 M217 | N106-Q108 PolarHBondContact ND2-OE1 3.06Å; N106-Q108 PolarHBondContact O-N 2.81Å; N106-Q108 VanDerWaalsContact O-N 3.11Å; N106-Q108 WeakPolarHBondContact OD1-CA 2.98Å; N106-Q108 WeakPolarHBondContact OD1-CB 3.49Å; N106-Q108 WeakPolarHBondContact OD1-CG 3.37Å; N106-Q108 PolarHBondContact OD1-N 3.49Å; Q108-S111 VanDerWaalsContact C-OG 3.22Å; Q108-S111 WeakPolarHBondContact CA-OG 3.44Å; Q108-S111 PolarHBondContact O-N 3.34Å; Q108-S111 PolarHBondContact O-OG 2.95Å; Q108-L112 PolarHBondContact O-N 3.06Å; Q108-M217 HydrophobicContact CB-CE 4.02Å; Q108-M217 HydrophobicContact CG-CE 3.59Å |
| 109 | N | 47 | Very low | 40.2 | Very low | 57 Ų | 57 | 72.4 Ų | 72.4 | 31% | 0.305 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -66.4 | -44.3 | 176.1 | -69.2 | -18.1 | 0 | 0 | 0 | 110.2 | L105 N106 S111 L112 Y113 | L105-N109 HydrophobicContact CB-CB 4.38Å; L105-N109 HydrophobicContact CD2-CB 3.43Å; L105-N109 VanDerWaalsContact CD2-CB 3.43Å; N106-N109 PolarHBondContact O-N 2.76Å; N106-N109 PolarHBondContact OD1-N 3.32Å; N109-S111 VanDerWaalsContact C-N 3.28Å; N109-S111 PolarHBondContact O-N 3.38Å; N109-L112 WeakPolarHBondContact O-CB 3.35Å; N109-L112 PolarHBondContact O-N 2.76Å; N109-Y113 HydrophobicContact CB-CE2 4.5Å; N109-Y113 WeakPolarHBondContact O-CD2 3.42Å; N109-Y113 PolarHBondContact O-N 3.01Å |
| 110 | L | 44.7 | Very low | 40.3 | Very low | 18 Ų | 18 | 69.9 Ų | 69.9 | 9% | 0.094 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -55.2 | -43.9 | 173.2 | -176 | 69.7 | 0 | 0 | 0 | 111.7 | Y62 M66 L69 N106 Y113 L114 | Y62-L110 HydrophobicContact CE2-CD2 4.14Å; M66-L110 HydrophobicContact SD-CD1 3.99Å; L69-L110 HydrophobicContact CD1-CD1 3.39Å; N106-L110 PolarHBondContact O-N 2.96Å; N106-L110 VanDerWaalsContact O-N 3.16Å; L110-Y113 PolarHBondContact O-N 3.28Å; L110-L114 HydrophobicContact CG-CD1 4.28Å; L110-L114 WeakPolarHBondContact O-CG 3.46Å; L110-L114 PolarHBondContact O-N 3.5Å |
| 111 | S | 44 | Very low | 40.1 | Very low | 6 Ų | 6 | 71.2 Ų | 71.2 | 4% | 0.042 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.6 | -40.6 | 174.9 | 57 | 0 | 0 | 0 | 0 | 113.3 | L107 Q108 N109 Y113 L114 L115 L219 | L107-S111 PolarHBondContact O-N 3.27Å; L107-S111 PolarHBondContact O-OG 3.15Å; Q108-S111 VanDerWaalsContact C-OG 3.22Å; Q108-S111 WeakPolarHBondContact CA-OG 3.44Å; Q108-S111 PolarHBondContact O-N 3.34Å; Q108-S111 PolarHBondContact O-OG 2.95Å; N109-S111 VanDerWaalsContact C-N 3.28Å; N109-S111 PolarHBondContact O-N 3.38Å; S111-Y113 VanDerWaalsContact C-N 3.34Å; S111-L114 PolarHBondContact O-N 2.94Å; S111-L115 VanDerWaalsContact O-CB 3.31Å; S111-L115 WeakPolarHBondContact O-CB 3.41Å; S111-L115 PolarHBondContact O-N 2.97Å; S111-L219 WeakPolarHBondContact OG-CD1 3.37Å |
| 112 | L | 48.1 | Very low | 40 | Very low | 91 Ų | 91 | 66.7 Ų | 66.7 | 48% | 0.476 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.4 | -39 | 177.4 | -133.3 | 79.7 | 0 | 0 | 0 | 111.3 | Q108 N109 L115 N116 | Q108-L112 PolarHBondContact O-N 3.06Å; N109-L112 WeakPolarHBondContact O-CB 3.35Å; N109-L112 PolarHBondContact O-N 2.76Å; L112-L115 PolarHBondContact O-N 3.11Å; L112-N116 WeakPolarHBondContact O-CB 3.36Å; L112-N116 PolarHBondContact O-N 3.16Å |
| 113 | Y | 49.4 | Very low | 39.9 | Very low | 69 Ų | 69 | 67.1 Ų | 67.1 | 27% | 0.271 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67.3 | -41.8 | 176.4 | -82.7 | -73 | 0 | 0 | 0 | 112.3 | F100 L105 N109 L110 S111 L115 N116 M117 | F100-Y113 HydrophobicContact CE1-CD1 4.4Å; F100-Y113 AromaticContact CE1-CE1 3.85Å; F100-Y113 HydrophobicContact CE1-CE1 3.85Å; F100-Y113 HydrophobicContact CZ-CD1 4.3Å; F100-Y113 AromaticContact CZ-CE1 3.8Å; F100-Y113 HydrophobicContact CZ-CE1 3.8Å; L105-Y113 HydrophobicContact CD2-CD2 3.9Å; L105-Y113 HydrophobicContact CD2-CE2 3.47Å; L105-Y113 VanDerWaalsContact CD2-CE2 3.47Å; N109-Y113 HydrophobicContact CB-CE2 4.5Å; N109-Y113 WeakPolarHBondContact O-CD2 3.42Å; N109-Y113 PolarHBondContact O-N 3.01Å; L110-Y113 PolarHBondContact O-N 3.28Å; S111-Y113 VanDerWaalsContact C-N 3.34Å; Y113-L115 VanDerWaalsContact C-N 3.34Å; Y113-N116 PolarHBondContact O-N 3.43Å; Y113-M117 PolarHBondContact O-N 3.48Å |
| 114 | L | 48 | Very low | 39.6 | Very low | 23 Ų | 23 | 63.4 Ų | 63.4 | 12% | 0.12 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.6 | -38.6 | 173.5 | -72.2 | 167.6 | 0 | 0 | 0 | 111.6 | L69 L110 S111 M117 T118 L214 | L69-L114 HydrophobicContact CD1-CD2 4.27Å; L69-L114 HydrophobicContact CD2-CD2 4.09Å; L69-L114 HydrophobicContact CD2-CG 4.46Å; L69-L114 HydrophobicContact CG-CD2 4.39Å; L110-L114 HydrophobicContact CG-CD1 4.28Å; L110-L114 WeakPolarHBondContact O-CG 3.46Å; L110-L114 PolarHBondContact O-N 3.5Å; S111-L114 PolarHBondContact O-N 2.94Å; L114-M117 HydrophobicContact CD2-CE 4.01Å; L114-T118 WeakPolarHBondContact O-CG2 3.43Å; L114-T118 PolarHBondContact O-N 2.79Å; L114-T118 VanDerWaalsContact O-N 3.12Å; L114-T118 PolarHBondContact O-OG1 3.34Å; L114-L214 HydrophobicContact CD1-CD1 4.23Å |
| 115 | L | 47.4 | Very low | 39.3 | Very low | 57 Ų | 57 | 61.3 Ų | 61.3 | 30% | 0.298 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.4 | -40.6 | 175.7 | -169.2 | 66.5 | 0 | 0 | 0 | 111.7 | S111 L112 Y113 T118 N119 | S111-L115 VanDerWaalsContact O-CB 3.31Å; S111-L115 WeakPolarHBondContact O-CB 3.41Å; S111-L115 PolarHBondContact O-N 2.97Å; L112-L115 PolarHBondContact O-N 3.11Å; Y113-L115 VanDerWaalsContact C-N 3.34Å; L115-T118 WeakPolarHBondContact CA-OG1 3.03Å; L115-T118 PolarHBondContact O-N 2.85Å; L115-T118 PolarHBondContact O-OG1 3.48Å; L115-N119 WeakPolarHBondContact O-CB 3.49Å; L115-N119 VanDerWaalsContact O-CG 3.3Å; L115-N119 PolarHBondContact O-N 3.3Å; L115-N119 PolarHBondContact O-ND2 2.88Å |
| 116 | N | 46.1 | Very low | 38.7 | Very low | 101 Ų | 101 | 67.8 Ų | 67.8 | 54% | 0.54 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.6 | -38.3 | 176 | -87.3 | -1.9 | 0 | 0 | 0 | 112.8 | L112 Y113 T118 N119 S120 | L112-N116 WeakPolarHBondContact O-CB 3.36Å; L112-N116 PolarHBondContact O-N 3.16Å; Y113-N116 PolarHBondContact O-N 3.43Å; N116-T118 VanDerWaalsContact C-N 3.32Å; N116-T118 PolarHBondContact O-N 3.33Å; N116-N119 PolarHBondContact O-N 2.97Å; N116-S120 PolarHBondContact O-N 2.94Å |
| 117 | M | 42.3 | Very low | 38.2 | Very low | 19 Ų | 19 | 68.2 Ų | 68.2 | 9% | 0.094 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.7 | -35.7 | 174.1 | -78.2 | -161.8 | -63.3 | 0 | 0 | 112.3 | L69 L72 Y113 L114 S120 L122 | L69-M117 HydrophobicContact CD2-CE 3.3Å; L69-M117 HydrophobicContact CG-CE 4.11Å; L72-M117 HydrophobicContact CB-SD 4.29Å; Y113-M117 PolarHBondContact O-N 3.48Å; L114-M117 HydrophobicContact CD2-CE 4.01Å; M117-S120 PolarHBondContact O-OG 2.76Å; M117-L122 WeakPolarHBondContact O-CD1 3.41Å |
| 118 | T | 41.8 | Very low | 37.5 | Very low | 17 Ų | 17 | 70.6 Ų | 70.6 | 10% | 0.104 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -75.6 | -29 | 178.1 | 47.6 | 0 | 0 | 0 | 0 | 113.6 | L114 L115 N116 A185 L189 | L114-T118 WeakPolarHBondContact O-CG2 3.43Å; L114-T118 PolarHBondContact O-N 2.79Å; L114-T118 VanDerWaalsContact O-N 3.12Å; L114-T118 PolarHBondContact O-OG1 3.34Å; L115-T118 WeakPolarHBondContact CA-OG1 3.03Å; L115-T118 PolarHBondContact O-N 2.85Å; L115-T118 PolarHBondContact O-OG1 3.48Å; N116-T118 VanDerWaalsContact C-N 3.32Å; N116-T118 PolarHBondContact O-N 3.33Å; T118-A185 HydrophobicContact CG2-CB 4.25Å; T118-A185 WeakPolarHBondContact OG1-CB 3.21Å; T118-L189 HydrophobicContact CG2-CD1 3.77Å; T118-L189 HydrophobicContact CG2-CG 3.77Å |
| 119 | N | 33.7 | Very low | 36.7 | Very low | 110 Ų | 110 | 73.1 Ų | 73.1 | 59% | 0.588 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -83.9 | -16.4 | 175 | -70.6 | -26.5 | 0 | 0 | 0 | 113.8 | L115 N116 S121 | L115-N119 WeakPolarHBondContact O-CB 3.49Å; L115-N119 VanDerWaalsContact O-CG 3.3Å; L115-N119 PolarHBondContact O-N 3.3Å; L115-N119 PolarHBondContact O-ND2 2.88Å; N116-N119 PolarHBondContact O-N 2.97Å; N119-S121 PolarHBondContact O-N 3.4Å |
| 120 | S | 29.6 | Very low | 35.8 | Very low | 39 Ų | 39 | 76.1 Ų | 76.1 | 27% | 0.273 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -70 | 128.6 | 170.2 | 66.5 | 0 | 0 | 0 | 0 | 109.5 | Q76 N116 M117 L122 | Q76-S120 PolarHBondContact NE2-OG 2.96Å; N116-S120 PolarHBondContact O-N 2.94Å; M117-S120 PolarHBondContact O-OG 2.76Å; S120-L122 PolarHBondContact O-N 3.19Å |
| 121 | S | 27.5 | Very low | 35.2 | Very low | 99 Ų | 99 | 82.5 Ų | 82.5 | 69% | 0.692 | 44% | 0.443 | S | S | * | . | | | trans | -62 | 90.5 | 169.7 | 58 | 0 | 0 | 0 | 0 | 107.5 | N119 N123 | N119-S121 PolarHBondContact O-N 3.4Å; S121-N123 PolarHBondContact O-N 3.16Å |
| 122 | L | 29.9 | Very low | 34.5 | Very low | 60 Ų | 60 | 85.5 Ų | 85.5 | 31% | 0.314 | 46% | 0.464 | S | S | . | . | | | trans | -58.9 | 95.4 | 162.1 | -89.7 | 91.8 | 0 | 0 | 0 | 105.4 | M117 S120 S124 | M117-L122 WeakPolarHBondContact O-CD1 3.41Å; S120-L122 PolarHBondContact O-N 3.19Å; L122-S124 PolarHBondContact O-N 3.14Å |
| 123 | N | 27 | Very low | 33.7 | Very low | 123 Ų | 123 | 84.2 Ų | 84.2 | 66% | 0.658 | 46% | 0.463 | S | S | * | . | | | trans | -48.4 | 128.1 | 162.4 | -76.7 | -36.6 | 0 | 0 | 0 | 105.6 | S121 I125 | S121-N123 PolarHBondContact O-N 3.16Å; N123-I125 PolarHBondContact O-N 3.26Å; N123-I125 VanDerWaalsContact O-N 3.09Å |
| 124 | S | 26.4 | Very low | 32.7 | Very low | 49 Ų | 49 | 85.8 Ų | 85.8 | 34% | 0.343 | 48% | 0.476 | S | S | . | . | | | trans | -37.6 | 123.2 | -179.1 | 59.2 | 0 | 0 | 0 | 0 | 108.7 | L122 Q126 | L122-S124 PolarHBondContact O-N 3.14Å; S124-Q126 PolarHBondContact O-N 3.37Å |
| 125 | I | 27.3 | Very low | 31.9 | Very low | 78 Ų | 78 | 90.1 Ų | 90.1 | 40% | 0.4 | 50% | 0.499 | S | S | . | . | | | trans | -60 | 86.4 | 172.1 | -66.2 | 169 | 0 | 0 | 0 | 105.9 | N123 M127 | N123-I125 PolarHBondContact O-N 3.26Å; N123-I125 VanDerWaalsContact O-N 3.09Å; I125-M127 HydrophobicContact CG2-CB 4.41Å; I125-M127 HydrophobicContact CG2-CE 3.92Å; I125-M127 HydrophobicContact CG2-CG 3.41Å; I125-M127 VanDerWaalsContact CG2-CG 3.41Å; I125-M127 HydrophobicContact CG2-SD 4.49Å; I125-M127 PolarHBondContact O-N 2.89Å |
| 126 | Q | 26.1 | Very low | 31.2 | Very low | 169 Ų | 169 | 90.7 Ų | 90.7 | 79% | 0.79 | 50% | 0.499 | S | S | * | . | | | trans | -77.4 | 78.2 | 168.6 | -167.8 | 174.6 | -5.9 | 0 | 0 | 104.2 | S124 N128 | S124-Q126 PolarHBondContact O-N 3.37Å; Q126-N128 PolarHBondContact O-N 2.77Å |
| 127 | M | 29.7 | Very low | 30.6 | Very low | 75 Ų | 75 | 87.3 Ų | 87.3 | 37% | 0.369 | 48% | 0.484 | S | S | . | . | | | trans | -63.3 | 89.6 | 164.6 | -79.5 | -87.3 | 179.7 | 0 | 0 | 105.9 | I125 N129 | I125-M127 HydrophobicContact CG2-CB 4.41Å; I125-M127 HydrophobicContact CG2-CE 3.92Å; I125-M127 HydrophobicContact CG2-CG 3.41Å; I125-M127 VanDerWaalsContact CG2-CG 3.41Å; I125-M127 HydrophobicContact CG2-SD 4.49Å; I125-M127 PolarHBondContact O-N 2.89Å; M127-N129 PolarHBondContact O-N 2.85Å |
| 128 | N | 27.2 | Very low | 30.1 | Very low | 124 Ų | 124 | 90.1 Ų | 90.1 | 66% | 0.663 | 50% | 0.499 | S | S | * | . | | | trans | -59.1 | 126.9 | 166.3 | -156.3 | -0.3 | 0 | 0 | 0 | 106.3 | Q126 N130 | Q126-N128 PolarHBondContact O-N 2.77Å; N128-N130 PolarHBondContact O-N 3.04Å |
| 129 | N | 27.3 | Very low | 29.8 | Very low | 152 Ų | 152 | 94.6 Ų | 94.6 | 81% | 0.813 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -64.3 | 28.4 | -164.1 | -88.5 | -23.6 | 0 | 0 | 0 | 115.8 | M127 | M127-N129 PolarHBondContact O-N 2.85Š|
| 130 | N | 28.8 | Very low | 29.8 | Very low | 120 Ų | 120 | 93.1 Ų | 93.1 | 64% | 0.642 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -112.1 | 92 | -171.7 | -67.9 | -11 | 0 | 0 | 0 | 110.5 | N128 S132 | N128-N130 PolarHBondContact O-N 3.04Å; N130-S132 VanDerWaalsContact C-N 3.3Å; N130-S132 PolarHBondContact O-N 3.42Å |
| 131 | N | 30.8 | Very low | 30.2 | Very low | 152 Ų | 152 | 93.3 Ų | 93.3 | 81% | 0.813 | 51% | 0.506 | S | S | * | . | S | Bend | trans | 60.6 | -5.6 | 152.6 | -65.7 | -18.5 | 0 | 0 | 0 | 121 | | |
| 132 | S | 30.1 | Very low | 30.6 | Very low | 69 Ų | 69 | 90.8 Ų | 90.8 | 48% | 0.483 | 49% | 0.489 | S | S | . | . | | | trans | -105.9 | -2.1 | -179.5 | 82.8 | 0 | 0 | 0 | 0 | 115.6 | N130 N134 | N130-S132 VanDerWaalsContact C-N 3.3Å; N130-S132 PolarHBondContact O-N 3.42Å; S132-N134 VanDerWaalsContact C-N 3.32Å |
| 133 | S | 30.9 | Very low | 30.9 | Very low | 64 Ų | 64 | 89.9 Ų | 89.9 | 45% | 0.448 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -75.6 | -22 | -179.6 | 66.6 | 0 | 0 | 0 | 0 | 113 | | |
| 134 | N | 29.6 | Very low | 31.3 | Very low | 102 Ų | 102 | 88.5 Ų | 88.5 | 55% | 0.545 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -72.9 | -28.8 | 176.2 | -74.6 | -18.6 | 0 | 0 | 0 | 112.4 | S132 F136 N138 | S132-N134 VanDerWaalsContact C-N 3.32Å; N134-F136 PolarHBondContact O-N 2.82Å; N134-N138 WeakPolarHBondContact O-CB 3.46Å; N134-N138 PolarHBondContact O-N 3.39Å; N134-N138 PolarHBondContact O-ND2 2.64Å |
| 135 | D | 31.3 | Very low | 31.8 | Very low | 114 Ų | 114 | 90.2 Ų | 90.2 | 61% | 0.61 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -70.4 | -34.8 | -173.8 | -76.6 | -22 | 0 | 0 | 0 | 113.5 | H139 | D135-H139 WeakPolarHBondContact O-CA 3.25Å; D135-H139 WeakPolarHBondContact O-CB 3.42Å; D135-H139 PolarHBondContact O-N 3.45Å |
| 136 | F | 31 | Very low | 32.1 | Very low | 68 Ų | 68 | 91.2 Ų | 91.2 | 30% | 0.298 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -77.6 | -40.5 | 179 | -174.2 | -104.7 | 0 | 0 | 0 | 112.5 | T71 N134 N138 H139 I140 | T71-F136 HydrophobicContact CG2-CE2 3.88Å; N134-F136 PolarHBondContact O-N 2.82Å; F136-N138 VanDerWaalsContact C-N 3.34Å; F136-H139 PolarHBondContact O-N 2.77Å; F136-I140 HydrophobicContact CD1-CD1 3.88Å; F136-I140 HydrophobicContact CE1-CD1 3.29Å; F136-I140 HydrophobicContact CE1-CG1 4.3Å; F136-I140 HydrophobicContact CE2-CD1 4.06Å; F136-I140 HydrophobicContact CE2-CG1 4.42Å; F136-I140 HydrophobicContact CZ-CD1 3.41Å; F136-I140 VanDerWaalsContact CZ-CD1 3.41Å; F136-I140 HydrophobicContact CZ-CG1 4.24Å; F136-I140 WeakPolarHBondContact O-CB 3.19Å; F136-I140 WeakPolarHBondContact O-CG1 3.36Å; F136-I140 PolarHBondContact O-N 2.63Å |
| 137 | S | 33.5 | Very low | 32.7 | Very low | 31 Ų | 31 | 87.3 Ų | 87.3 | 22% | 0.217 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -65.9 | -41 | 174.8 | -159.2 | 0 | 0 | 0 | 0 | 110.5 | Q141 I169 | S137-Q141 WeakPolarHBondContact O-CB 3.28Å; S137-Q141 WeakPolarHBondContact O-CG 3.46Å; S137-Q141 PolarHBondContact O-N 2.98Å; S137-I169 WeakPolarHBondContact OG-CD1 3.22Å |
| 138 | N | 31.8 | Very low | 32.9 | Very low | 78 Ų | 78 | 91 Ų | 91 | 42% | 0.417 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -72.4 | -30.6 | 174.9 | -67.4 | -23.9 | 0 | 0 | 0 | 112.8 | N134 F136 S142 | N134-N138 WeakPolarHBondContact O-CB 3.46Å; N134-N138 PolarHBondContact O-N 3.39Å; N134-N138 PolarHBondContact O-ND2 2.64Å; F136-N138 VanDerWaalsContact C-N 3.34Å; N138-S142 WeakPolarHBondContact O-CA 3.16Å; N138-S142 WeakPolarHBondContact O-CB 3.37Å; N138-S142 PolarHBondContact O-N 3.48Å; N138-S142 PolarHBondContact O-OG 3.49Å; N138-S142 VanDerWaalsContact O-OG 3.09Å |
| 139 | H | 35.8 | Very low | 33.2 | Very low | 111 Ų | 111 | 89.7 Ų | 89.7 | 51% | 0.514 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -75.2 | -41.4 | 176.3 | -173 | 19.6 | 0 | 0 | 0 | 111.6 | D135 F136 Q141 S142 T143 | D135-H139 WeakPolarHBondContact O-CA 3.25Å; D135-H139 WeakPolarHBondContact O-CB 3.42Å; D135-H139 PolarHBondContact O-N 3.45Å; F136-H139 PolarHBondContact O-N 2.77Å; H139-Q141 VanDerWaalsContact C-N 3.35Å; H139-S142 WeakPolarHBondContact CA-OG 3.27Å; H139-S142 PolarHBondContact O-N 3.22Å; H139-S142 PolarHBondContact O-OG 3.24Å; H139-T143 PolarHBondContact CE1-OG1 2.91Å; H139-T143 PolarHBondContact ND1-OG1 2.78Å; H139-T143 VanDerWaalsContact ND1-OG1 3.16Å; H139-T143 VanDerWaalsContact O-CB 3.28Å; H139-T143 WeakPolarHBondContact O-CB 3.48Å; H139-T143 PolarHBondContact O-N 3.28Å; H139-T143 PolarHBondContact O-OG1 2.77Å |
| 140 | I | 35 | Very low | 33.6 | Very low | 78 Ų | 78 | 90.7 Ų | 90.7 | 40% | 0.4 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 170.1 | -71.5 | -177.3 | 0 | 0 | 0 | 109.9 | F136 L144 | F136-I140 HydrophobicContact CD1-CD1 3.88Å; F136-I140 HydrophobicContact CE1-CD1 3.29Å; F136-I140 HydrophobicContact CE1-CG1 4.3Å; F136-I140 HydrophobicContact CE2-CD1 4.06Å; F136-I140 HydrophobicContact CE2-CG1 4.42Å; F136-I140 HydrophobicContact CZ-CD1 3.41Å; F136-I140 VanDerWaalsContact CZ-CD1 3.41Å; F136-I140 HydrophobicContact CZ-CG1 4.24Å; F136-I140 WeakPolarHBondContact O-CB 3.19Å; F136-I140 WeakPolarHBondContact O-CG1 3.36Å; F136-I140 PolarHBondContact O-N 2.63Å; I140-L144 HydrophobicContact CG2-CD1 3.52Å; I140-L144 HydrophobicContact CG2-CG 4.26Å; I140-L144 WeakPolarHBondContact O-CB 3.18Å; I140-L144 WeakPolarHBondContact O-CD1 3.26Å; I140-L144 WeakPolarHBondContact O-CG 3.3Å; I140-L144 PolarHBondContact O-N 3.08Å |
| 141 | Q | 36.3 | Very low | 33.8 | Very low | 43 Ų | 43 | 88.9 Ų | 88.9 | 20% | 0.201 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -65.9 | -38 | 176.3 | -80.8 | 176.1 | 27.9 | 0 | 0 | 113.8 | S137 H139 N145 M166 | S137-Q141 WeakPolarHBondContact O-CB 3.28Å; S137-Q141 WeakPolarHBondContact O-CG 3.46Å; S137-Q141 PolarHBondContact O-N 2.98Å; H139-Q141 VanDerWaalsContact C-N 3.35Å; Q141-N145 WeakPolarHBondContact O-CA 3.1Å; Q141-N145 WeakPolarHBondContact O-CB 3.28Å; Q141-N145 VanDerWaalsContact O-CG 3.29Å; Q141-N145 PolarHBondContact O-N 2.81Å; Q141-N145 PolarHBondContact O-ND2 3.39Å; Q141-M166 HydrophobicContact CG-CE 4.17Å; Q141-M166 VanDerWaalsContact NE2-CE 3.32Å; Q141-M166 PolarHBondContact NE2-SD 3.48Å; Q141-M166 PolarHBondContact OE1-SD 3.36Å |
| 142 | S | 36.6 | Very low | 33.9 | Very low | 47 Ų | 47 | 86.8 Ų | 86.8 | 33% | 0.329 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -73.9 | -38.8 | -179.6 | 71 | 0 | 0 | 0 | 0 | 110.9 | N138 H139 N145 N146 | N138-S142 WeakPolarHBondContact O-CA 3.16Å; N138-S142 WeakPolarHBondContact O-CB 3.37Å; N138-S142 PolarHBondContact O-N 3.48Å; N138-S142 PolarHBondContact O-OG 3.49Å; N138-S142 VanDerWaalsContact O-OG 3.09Å; H139-S142 WeakPolarHBondContact CA-OG 3.27Å; H139-S142 PolarHBondContact O-N 3.22Å; H139-S142 PolarHBondContact O-OG 3.24Å; S142-N145 PolarHBondContact O-N 3.25Å; S142-N146 WeakPolarHBondContact O-CB 3.41Å; S142-N146 PolarHBondContact O-N 2.92Å; S142-N146 PolarHBondContact O-ND2 3.26Å; S142-N146 VanDerWaalsContact O-ND2 3.1Å |
| 143 | T | 36.1 | Very low | 33.9 | Very low | 41 Ų | 41 | 92 Ų | 92 | 25% | 0.252 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.2 | -45.7 | 175.8 | -44.6 | 0 | 0 | 0 | 0 | 109.9 | H139 D147 | H139-T143 PolarHBondContact CE1-OG1 2.91Å; H139-T143 PolarHBondContact ND1-OG1 2.78Å; H139-T143 VanDerWaalsContact ND1-OG1 3.16Å; H139-T143 VanDerWaalsContact O-CB 3.28Å; H139-T143 WeakPolarHBondContact O-CB 3.48Å; H139-T143 PolarHBondContact O-N 3.28Å; H139-T143 PolarHBondContact O-OG1 2.77Å; T143-D147 WeakPolarHBondContact O-CB 3.39Å; T143-D147 PolarHBondContact O-N 3.47Å |
| 144 | L | 36 | Very low | 34.1 | Very low | 93 Ų | 93 | 95 Ų | 95 | 49% | 0.487 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.3 | -44 | 173.5 | -70.8 | 170.8 | 0 | 0 | 0 | 112.1 | I140 W148 | I140-L144 HydrophobicContact CG2-CD1 3.52Å; I140-L144 HydrophobicContact CG2-CG 4.26Å; I140-L144 WeakPolarHBondContact O-CB 3.18Å; I140-L144 WeakPolarHBondContact O-CD1 3.26Å; I140-L144 WeakPolarHBondContact O-CG 3.3Å; I140-L144 PolarHBondContact O-N 3.08Å; L144-W148 WeakPolarHBondContact O-CB 3.15Å; L144-W148 PolarHBondContact O-N 3.45Å |
| 145 | N | 36.2 | Very low | 34 | Very low | 86 Ų | 86 | 95 Ų | 95 | 46% | 0.46 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71.7 | -38.5 | -179.9 | -84 | -22 | 0 | 0 | 0 | 113.2 | Q141 S142 W148 N149 | Q141-N145 WeakPolarHBondContact O-CA 3.1Å; Q141-N145 WeakPolarHBondContact O-CB 3.28Å; Q141-N145 VanDerWaalsContact O-CG 3.29Å; Q141-N145 PolarHBondContact O-N 2.81Å; Q141-N145 PolarHBondContact O-ND2 3.39Å; S142-N145 PolarHBondContact O-N 3.25Å; N145-W148 PolarHBondContact O-N 3.24Å; N145-N149 VanDerWaalsContact O-CB 3.32Å; N145-N149 WeakPolarHBondContact O-CB 3.47Å; N145-N149 PolarHBondContact O-N 2.98Å; N145-N149 PolarHBondContact O-ND2 3.24Å; N145-N149 VanDerWaalsContact O-ND2 3.08Å |
| 146 | N | 34.1 | Very low | 34.1 | Very low | 99 Ų | 99 | 94.8 Ų | 94.8 | 53% | 0.529 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -72.9 | -36.1 | -178.8 | -70.2 | -25.4 | 0 | 0 | 0 | 111.5 | S142 K150 | S142-N146 WeakPolarHBondContact O-CB 3.41Å; S142-N146 PolarHBondContact O-N 2.92Å; S142-N146 PolarHBondContact O-ND2 3.26Å; S142-N146 VanDerWaalsContact O-ND2 3.1Å; N146-K150 PolarHBondContact O-N 3.36Å |
| 147 | D | 37.7 | Very low | 33.9 | Very low | 86 Ų | 86 | 96.9 Ų | 96.9 | 46% | 0.46 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -76.5 | -28.2 | 173.8 | -71.8 | -23.5 | 0 | 0 | 0 | 112.3 | T143 C151 | T143-D147 WeakPolarHBondContact O-CB 3.39Å; T143-D147 PolarHBondContact O-N 3.47Å; D147-C151 PolarHBondContact O-N 3.36Å; D147-C151 PolarHBondContact O-SG 3.03Å |
| 148 | W | 34.7 | Very low | 33.7 | Very low | 154 Ų | 154 | 102.3 Ų | 102.3 | 58% | 0.583 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -72.3 | -35.8 | 172.6 | -158.9 | -97.1 | 0 | 0 | 0 | 112.5 | L144 N145 K150 C151 N152 | L144-W148 WeakPolarHBondContact O-CB 3.15Å; L144-W148 PolarHBondContact O-N 3.45Å; N145-W148 PolarHBondContact O-N 3.24Å; W148-K150 VanDerWaalsContact C-N 3.33Å; W148-C151 PolarHBondContact O-N 3.45Å; W148-N152 PolarHBondContact O-ND2 3.26Å |
| 149 | N | 32.7 | Very low | 33.5 | Very low | 96 Ų | 96 | 105.2 Ų | 105.2 | 51% | 0.513 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -70.1 | -29 | 175.1 | -72.9 | -27.6 | 0 | 0 | 0 | 112.6 | N145 C151 | N145-N149 VanDerWaalsContact O-CB 3.32Å; N145-N149 WeakPolarHBondContact O-CB 3.47Å; N145-N149 PolarHBondContact O-N 2.98Å; N145-N149 PolarHBondContact O-ND2 3.24Å; N145-N149 VanDerWaalsContact O-ND2 3.08Å; N149-C151 VanDerWaalsContact C-N 3.32Å |
| 150 | K | 35.7 | Very low | 32.9 | Very low | 173 Ų | 173 | 111.3 Ų | 111.3 | 75% | 0.752 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -75.2 | -16.4 | 171.7 | -79.1 | -175.5 | 174.2 | -172.5 | 0 | 114.2 | N146 W148 | N146-K150 PolarHBondContact O-N 3.36Å; W148-K150 VanDerWaalsContact C-N 3.33Å |
| 151 | C | 33.1 | Very low | 32.5 | Very low | 82 Ų | 82 | 116.3 Ų | 116.3 | 55% | 0.554 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -0.8 | 176.1 | -67.1 | 0 | 0 | 0 | 0 | 113.7 | D147 W148 N149 | D147-C151 PolarHBondContact O-N 3.36Å; D147-C151 PolarHBondContact O-SG 3.03Å; W148-C151 PolarHBondContact O-N 3.45Å; N149-C151 VanDerWaalsContact C-N 3.32Å |
| 152 | N | 33.3 | Very low | 32 | Very low | 107 Ų | 107 | 119.9 Ų | 119.9 | 57% | 0.572 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -95.8 | 1.4 | -173.1 | -80.1 | -25 | 0 | 0 | 0 | 115.5 | W148 | W148-N152 PolarHBondContact O-ND2 3.26Š|
| 153 | E | 31.3 | Very low | 31.4 | Very low | 179 Ų | 179 | 129.7 Ų | 129.7 | 84% | 0.836 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -92.9 | -1.5 | -173.4 | -68.6 | -170.3 | 166.9 | 0 | 0 | 115.7 | | |
| 154 | T | 33.4 | Very low | 31 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 78% | 0.779 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -124.7 | 72.5 | 173.3 | 43.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 155 | S | 29.2 | Very low | 30.7 | Very low | 103 Ų | 103 | 134.4 Ų | 134.4 | 72% | 0.72 | 71% | 0.712 | S | S | * | * | | | trans | 15.6 | 152.5 | 149.4 | 46.8 | 0 | 0 | 0 | 0 | 122.3 | | |
| 156 | P | 33.3 | Very low | 30.2 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 70% | 0.701 | 72% | 0.717 | S | S | * | * | | | cis | -144.6 | -178.9 | -42.4 | 40.2 | -21.9 | 0 | 0 | 0 | 114.6 | | |
| 157 | T | 26.5 | Very low | 29.9 | Very low | 113 Ų | 113 | 137.4 Ų | 137.4 | 69% | 0.693 | 73% | 0.726 | S | S | * | * | | | trans | 86.6 | 54.4 | 150.3 | 55.2 | 0 | 0 | 0 | 0 | 122.7 | | |
| 158 | T | 28.4 | Very low | 29.7 | Very low | 144 Ų | 144 | 137.9 Ų | 137.9 | 88% | 0.883 | 73% | 0.732 | S | S | * | * | | | trans | -166 | 53.6 | 143.4 | -8.3 | 0 | 0 | 0 | 0 | 115.9 | | |
| 159 | C | 27.4 | Very low | 29.5 | Very low | 140 Ų | 140 | 134.4 Ų | 134.4 | 95% | 0.946 | 72% | 0.724 | S | S | * | * | | | trans | -147.6 | 72.8 | 168.3 | -97.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 160 | R | 23.7 | Very low | 29.5 | Very low | 238 Ų | 238 | 135.8 Ų | 135.8 | 90% | 0.898 | 73% | 0.731 | S | S | * | * | | | trans | -103.3 | 129 | 161.4 | -106.3 | -174.8 | 174.1 | -172.8 | -0.5 | 107.2 | | |
| 161 | Q | 26.6 | Very low | 29.1 | Very low | 184 Ų | 184 | 133 Ų | 133 | 86% | 0.86 | 72% | 0.724 | S | S | * | * | | | trans | 87.5 | 88.2 | 169 | -58.6 | 172.6 | -11 | 0 | 0 | 117.4 | | |
| 162 | S | 27 | Very low | 29 | Very low | 117 Ų | 117 | 131.6 Ų | 131.6 | 82% | 0.818 | 72% | 0.719 | S | S | * | * | | | trans | -152.9 | 64.1 | 139.6 | -73.5 | 0 | 0 | 0 | 0 | 108.5 | T164 | S162-T164 VanDerWaalsContact C-N 3.31Å; S162-T164 PolarHBondContact O-N 3.12Å |
| 163 | R | 23.8 | Very low | 29 | Very low | 253 Ų | 253 | 131.2 Ų | 131.2 | 96% | 0.955 | 72% | 0.716 | S | S | * | * | | | trans | -85.3 | 81.8 | 166.9 | -164.4 | -176.9 | -156.6 | -165.4 | 5.9 | 106.5 | | |
| 164 | T | 27.1 | Very low | 28.9 | Very low | 121 Ų | 121 | 130.6 Ų | 130.6 | 74% | 0.742 | 71% | 0.707 | S | S | * | * | | | trans | -118.9 | 112 | 171.6 | -22.7 | 0 | 0 | 0 | 0 | 107.8 | S162 M166 | S162-T164 VanDerWaalsContact C-N 3.31Å; S162-T164 PolarHBondContact O-N 3.12Å; T164-M166 PolarHBondContact O-N 3.25Å |
| 165 | T | 29.7 | Very low | 28.8 | Very low | 113 Ų | 113 | 131.7 Ų | 131.7 | 69% | 0.693 | 71% | 0.707 | S | S | * | * | | | trans | -56.2 | 91.4 | 176.5 | 43.7 | 0 | 0 | 0 | 0 | 111.6 | N167 | T165-N167 PolarHBondContact O-N 2.69Å; T165-N167 VanDerWaalsContact O-N 3.09Å |
| 166 | M | 26 | Very low | 28.9 | Very low | 113 Ų | 113 | 130.3 Ų | 130.3 | 56% | 0.557 | 70% | 0.698 | S | S | * | * | | | | 30.8 | 60.9 | 119.7 | -148.6 | -173.5 | -85.3 | 0 | 0 | 118.4 | Q141 T164 | Q141-M166 HydrophobicContact CG-CE 4.17Å; Q141-M166 VanDerWaalsContact NE2-CE 3.32Å; Q141-M166 PolarHBondContact NE2-SD 3.48Å; Q141-M166 PolarHBondContact OE1-SD 3.36Å; T164-M166 PolarHBondContact O-N 3.25Å |
| 167 | N | 27.1 | Very low | 28.9 | Very low | 135 Ų | 135 | 131.8 Ų | 131.8 | 72% | 0.722 | 69% | 0.693 | S | S | * | * | | | trans | -125.4 | 15.8 | 174.9 | -71.9 | -1.1 | 0 | 0 | 0 | 114.1 | T165 | T165-N167 PolarHBondContact O-N 2.69Å; T165-N167 VanDerWaalsContact O-N 3.09Å |
| 168 | T | 33.1 | Very low | 29 | Very low | 95 Ų | 95 | 132.3 Ų | 132.3 | 58% | 0.583 | 69% | 0.691 | S | S | * | * | | | trans | -120 | 10.4 | -167.6 | 27.2 | 0 | 0 | 0 | 0 | 116 | D170 | T168-D170 VanDerWaalsContact C-N 3.33Š|
| 169 | I | 31.3 | Very low | 29.1 | Very low | 82 Ų | 82 | 130.7 Ų | 130.7 | 42% | 0.421 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -76.2 | -23.9 | 177.6 | -61.1 | 174.5 | 0 | 0 | 0 | 111.3 | S137 D171 L173 | S137-I169 WeakPolarHBondContact OG-CD1 3.22Å; I169-D171 PolarHBondContact O-N 2.93Å; I169-L173 HydrophobicContact CG2-CD1 4.41Å |
| 170 | D | 31.9 | Very low | 29.5 | Very low | 125 Ų | 125 | 131.3 Ų | 131.3 | 67% | 0.668 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -71.3 | -27.3 | 178.7 | -67.1 | -40.1 | 0 | 0 | 0 | 113.4 | T168 L173 Y174 | T168-D170 VanDerWaalsContact C-N 3.33Å; D170-L173 PolarHBondContact O-N 2.61Å; D170-Y174 PolarHBondContact O-N 3.17Å |
| 171 | D | 28.5 | Very low | 30.1 | Very low | 113 Ų | 113 | 125.4 Ų | 125.4 | 60% | 0.604 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -76.4 | -28.3 | -178.3 | -72.9 | -25.9 | 0 | 0 | 0 | 113 | I169 L173 | I169-D171 PolarHBondContact O-N 2.93Å; D171-L173 VanDerWaalsContact C-N 3.27Å; D171-L173 PolarHBondContact O-N 2.9Å |
| 172 | A | 30.9 | Very low | 30.5 | Very low | 54 Ų | 54 | 125.5 Ų | 125.5 | 45% | 0.446 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -75.2 | -18.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | T195 | A172-T195 HydrophobicContact CB-CG2 3.95Å |
| 173 | L | 32.7 | Very low | 31 | Very low | 98 Ų | 98 | 123.9 Ų | 123.9 | 51% | 0.513 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -92.7 | -13.1 | -178.8 | -88.8 | 155.1 | 0 | 0 | 0 | 113.5 | I169 D170 D171 | I169-L173 HydrophobicContact CG2-CD1 4.41Å; D170-L173 PolarHBondContact O-N 2.61Å; D171-L173 VanDerWaalsContact C-N 3.27Å; D171-L173 PolarHBondContact O-N 2.9Å |
| 174 | Y | 29.7 | Very low | 31.9 | Very low | 166 Ų | 166 | 115.9 Ų | 115.9 | 65% | 0.651 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -83.8 | -17.5 | 179.7 | -142.3 | -89.7 | 0 | 0 | 0 | 113.9 | D170 S176 | D170-Y174 PolarHBondContact O-N 3.17Å; Y174-S176 VanDerWaalsContact C-N 3.27Å; Y174-S176 PolarHBondContact O-N 3.09Å |
| 175 | I | 31.3 | Very low | 32.3 | Very low | 150 Ų | 150 | 110.8 Ų | 110.8 | 77% | 0.769 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -9.3 | -176.9 | -56.8 | 175.7 | 0 | 0 | 0 | 112.3 | | |
| 176 | S | 31.6 | Very low | 32.8 | Very low | 75 Ų | 75 | 110.6 Ų | 110.6 | 52% | 0.524 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.8 | 6.4 | 179.1 | -173.7 | 0 | 0 | 0 | 0 | 114.5 | Y174 | Y174-S176 VanDerWaalsContact C-N 3.27Å; Y174-S176 PolarHBondContact O-N 3.09Å |
| 177 | K | 32.7 | Very low | 33.7 | Very low | 138 Ų | 138 | 110.1 Ų | 110.1 | 60% | 0.6 | 58% | 0.575 | S | S | * | * | | | trans | -83.6 | -10.5 | -175.5 | -99.2 | 179 | 176.4 | 174.3 | 0 | 115.4 | N179 | K177-N179 PolarHBondContact O-N 3.42Š|
| 178 | D | 29 | Very low | 34.4 | Very low | 124 Ų | 124 | 108 Ų | 108 | 66% | 0.663 | 56% | 0.557 | S | S | * | * | | | trans | -90.4 | 90.3 | 176.7 | -77.6 | -24.3 | 0 | 0 | 0 | 110.9 | N180 | D178-N180 PolarHBondContact O-N 2.73Š|
| 179 | N | 30.6 | Very low | 34.9 | Very low | 111 Ų | 111 | 104.2 Ų | 104.2 | 59% | 0.594 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | 18.9 | -179 | -77.7 | -22.9 | 0 | 0 | 0 | 115.8 | K177 | K177-N179 PolarHBondContact O-N 3.42Š|
| 180 | N | 35.4 | Very low | 35.7 | Very low | 152 Ų | 152 | 102 Ų | 102 | 81% | 0.813 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.1 | 2.8 | -171.9 | -71.5 | -29.9 | 0 | 0 | 0 | 116.1 | D178 | D178-N180 PolarHBondContact O-N 2.73Š|
| 181 | N | 35.8 | Very low | 36.5 | Very low | 114 Ų | 114 | 98.1 Ų | 98.1 | 61% | 0.61 | 51% | 0.513 | S | S | * | . | | | trans | -109.1 | 114.8 | 178.8 | -74 | -24.6 | 0 | 0 | 0 | 111.4 | L183 | N181-L183 HydrophobicContact CB-CD1 4.16Å; N181-L183 PolarHBondContact O-N 2.9Å |
| 182 | L | 34.7 | Very low | 37.5 | Very low | 186 Ų | 186 | 97 Ų | 97 | 97% | 0.974 | 50% | 0.5 | S | S | * | . | | | trans | -58.4 | 62.4 | 165.4 | -89.2 | 142.8 | 0 | 0 | 0 | 110.7 | N184 | L182-N184 PolarHBondContact O-N 2.87Š|
| 183 | L | 37.1 | Very low | 38.2 | Very low | 83 Ų | 83 | 96 Ų | 96 | 44% | 0.435 | 49% | 0.489 | S | S | . | . | | | trans | -62.7 | 123.9 | 168.6 | -110.8 | 87.1 | 0 | 0 | 0 | 107.5 | N181 E187 R188 | N181-L183 HydrophobicContact CB-CD1 4.16Å; N181-L183 PolarHBondContact O-N 2.9Å; L183-E187 HydrophobicContact CB-CB 4.45Å; L183-E187 HydrophobicContact CD2-CB 3.75Å; L183-E187 HydrophobicContact CG-CB 4.1Å; L183-E187 WeakPolarHBondContact CG-OE2 3.5Å; L183-R188 HydrophobicContact CB-CG 4.3Å |
| 184 | N | 44 | Very low | 38.9 | Very low | 85 Ų | 85 | 94.6 Ų | 94.6 | 46% | 0.455 | 49% | 0.488 | S | S | . | . | | | trans | -52.6 | 141.1 | 180 | -173.9 | -15.8 | 0 | 0 | 0 | 109.2 | L182 Y186 E187 R188 | L182-N184 PolarHBondContact O-N 2.87Å; N184-Y186 CarbonylContact O-C 3.58Å; N184-Y186 PolarHBondContact O-N 3.44Å; N184-Y186 PolarHBondContact OD1-N 3.31Å; N184-E187 HydrophobicContact CB-CG 4.24Å; N184-E187 PolarHBondContact N-OE2 3.46Å; N184-E187 WeakPolarHBondContact O-CA 3.33Å; N184-E187 WeakPolarHBondContact O-CB 3.2Å; N184-E187 PolarHBondContact O-N 3.48Å; N184-R188 PolarHBondContact O-N 3.37Å |
| 185 | A | 36.3 | Very low | 39.7 | Very low | 15 Ų | 15 | 90.4 Ų | 90.4 | 12% | 0.124 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -46.5 | -33.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | T118 R188 L189 | T118-A185 HydrophobicContact CG2-CB 4.25Å; T118-A185 WeakPolarHBondContact OG1-CB 3.21Å; A185-R188 PolarHBondContact O-N 3.28Å; A185-L189 WeakPolarHBondContact O-CB 3.44Å; A185-L189 PolarHBondContact O-N 2.82Å |
| 186 | Y | 38.9 | Very low | 40.3 | Very low | 109 Ų | 109 | 85.5 Ų | 85.5 | 43% | 0.427 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.7 | -41 | 173.9 | -158.5 | -88.7 | 0 | 0 | 0 | 114 | N184 L189 A190 L211 | N184-Y186 CarbonylContact O-C 3.58Å; N184-Y186 PolarHBondContact O-N 3.44Å; N184-Y186 PolarHBondContact OD1-N 3.31Å; Y186-L189 PolarHBondContact O-N 2.88Å; Y186-A190 WeakPolarHBondContact O-CB 3.33Å; Y186-A190 PolarHBondContact O-N 3.34Å; Y186-L211 HydrophobicContact CD2-CD2 4.14Å; Y186-L211 HydrophobicContact CE1-CD2 4.15Å; Y186-L211 HydrophobicContact CE2-CD2 3.44Å; Y186-L211 VanDerWaalsContact CE2-CD2 3.44Å; Y186-L211 VanDerWaalsContact CZ-CD2 3.44Å; Y186-L211 WeakPolarHBondContact OH-CD2 3.48Å |
| 187 | E | 45.8 | Very low | 40.7 | Very low | 103 Ų | 103 | 85.6 Ų | 85.6 | 48% | 0.481 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -71.1 | -33.4 | 176.5 | -69.3 | 179.2 | 141.1 | 0 | 0 | 111.6 | L183 N184 A190 A191 | L183-E187 HydrophobicContact CB-CB 4.45Å; L183-E187 HydrophobicContact CD2-CB 3.75Å; L183-E187 HydrophobicContact CG-CB 4.1Å; L183-E187 WeakPolarHBondContact CG-OE2 3.5Å; N184-E187 HydrophobicContact CB-CG 4.24Å; N184-E187 PolarHBondContact N-OE2 3.46Å; N184-E187 WeakPolarHBondContact O-CA 3.33Å; N184-E187 WeakPolarHBondContact O-CB 3.2Å; N184-E187 PolarHBondContact O-N 3.48Å; E187-A190 PolarHBondContact O-N 2.9Å; E187-A191 VanDerWaalsContact O-CB 3.22Å; E187-A191 WeakPolarHBondContact O-CB 3.5Å; E187-A191 PolarHBondContact O-N 2.89Å |
| 188 | R | 41.8 | Very low | 41.2 | Very low | 89 Ų | 89 | 86.2 Ų | 86.2 | 34% | 0.336 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.6 | -44.6 | 171.2 | -71.5 | -178.6 | 161.7 | -145 | -7.7 | 111.7 | L183 N184 A185 A191 W192 | L183-R188 HydrophobicContact CB-CG 4.3Å; N184-R188 PolarHBondContact O-N 3.37Å; A185-R188 PolarHBondContact O-N 3.28Å; R188-A191 PolarHBondContact O-N 2.9Å; R188-W192 PolarHBondContact O-N 3.27Å |
| 189 | L | 44 | Very low | 41.7 | Very low | 16 Ų | 16 | 81.6 Ų | 81.6 | 8% | 0.084 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -66.6 | -36.4 | 174.2 | -86.5 | 159.2 | 0 | 0 | 0 | 112.4 | T118 A185 Y186 W192 S193 F207 L211 | T118-L189 HydrophobicContact CG2-CD1 3.77Å; T118-L189 HydrophobicContact CG2-CG 3.77Å; A185-L189 WeakPolarHBondContact O-CB 3.44Å; A185-L189 PolarHBondContact O-N 2.82Å; Y186-L189 PolarHBondContact O-N 2.88Å; L189-W192 PolarHBondContact O-N 3.37Å; L189-S193 WeakPolarHBondContact O-CB 3.39Å; L189-S193 PolarHBondContact O-N 2.79Å; L189-F207 HydrophobicContact CD2-CZ 3.99Å; L189-L211 HydrophobicContact CB-CD1 4.43Å |
| 190 | A | 47.5 | Very low | 42.2 | Very low | 37 Ų | 37 | 78.3 Ų | 78.3 | 31% | 0.306 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -69.3 | -39.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y186 E187 W192 S193 S194 | Y186-A190 WeakPolarHBondContact O-CB 3.33Å; Y186-A190 PolarHBondContact O-N 3.34Å; E187-A190 PolarHBondContact O-N 2.9Å; A190-W192 VanDerWaalsContact C-N 3.34Å; A190-S193 WeakPolarHBondContact O-CA 3.44Å; A190-S193 WeakPolarHBondContact O-CB 3.2Å; A190-S193 PolarHBondContact O-N 3.16Å; A190-S193 VanDerWaalsContact O-N 3.16Å; A190-S193 PolarHBondContact O-OG 3.3Å; A190-S194 PolarHBondContact O-N 3.06Å |
| 191 | A | 48.1 | Very low | 42.5 | Very low | 43 Ų | 43 | 75.5 Ų | 75.5 | 36% | 0.355 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.4 | -44 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | E187 R188 S193 S194 T195 | E187-A191 VanDerWaalsContact O-CB 3.22Å; E187-A191 WeakPolarHBondContact O-CB 3.5Å; E187-A191 PolarHBondContact O-N 2.89Å; R188-A191 PolarHBondContact O-N 2.9Å; A191-S193 VanDerWaalsContact C-N 3.33Å; A191-S193 PolarHBondContact O-N 3.16Å; A191-S194 WeakPolarHBondContact O-CB 3.49Å; A191-S194 PolarHBondContact O-N 3.3Å; A191-S194 VanDerWaalsContact O-N 3.08Å; A191-S194 PolarHBondContact O-OG 3.47Å; A191-T195 PolarHBondContact O-N 2.89Å |
| 192 | W | 49.3 | Very low | 42.4 | Very low | 88 Ų | 88 | 73 Ų | 73 | 33% | 0.333 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.3 | -40.8 | 172 | -76.1 | 15.4 | 0 | 0 | 0 | 112.2 | L72 R188 L189 A190 S194 T195 L196 | L72-W192 HydrophobicContact CD1-CH2 4.36Å; L72-W192 HydrophobicContact CD1-CZ3 4.12Å; L72-W192 HydrophobicContact CD2-CH2 3.8Å; L72-W192 HydrophobicContact CD2-CZ2 4.46Å; L72-W192 HydrophobicContact CD2-CZ3 4.38Å; R188-W192 PolarHBondContact O-N 3.27Å; L189-W192 PolarHBondContact O-N 3.37Å; A190-W192 VanDerWaalsContact C-N 3.34Å; W192-S194 PolarHBondContact O-N 3.3Å; W192-T195 WeakPolarHBondContact CA-OG1 3.25Å; W192-T195 PolarHBondContact O-N 2.74Å; W192-T195 PolarHBondContact O-OG1 2.94Å; W192-L196 VanDerWaalsContact O-CD1 3.25Å; W192-L196 WeakPolarHBondContact O-CD1 3.3Å; W192-L196 PolarHBondContact O-N 2.95Å |
| 193 | S | 46.3 | Very low | 42.7 | Very low | 33 Ų | 33 | 65 Ų | 65 | 23% | 0.231 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58.6 | -37.4 | 173.4 | 92.4 | 0 | 0 | 0 | 0 | 112.1 | L189 A190 A191 T195 L196 | L189-S193 WeakPolarHBondContact O-CB 3.39Å; L189-S193 PolarHBondContact O-N 2.79Å; A190-S193 WeakPolarHBondContact O-CA 3.44Å; A190-S193 WeakPolarHBondContact O-CB 3.2Å; A190-S193 PolarHBondContact O-N 3.16Å; A190-S193 VanDerWaalsContact O-N 3.16Å; A190-S193 PolarHBondContact O-OG 3.3Å; A191-S193 VanDerWaalsContact C-N 3.33Å; A191-S193 PolarHBondContact O-N 3.16Å; S193-T195 VanDerWaalsContact C-N 3.35Å; S193-L196 WeakPolarHBondContact O-CB 3.46Å; S193-L196 PolarHBondContact O-N 3.43Å; S193-L196 VanDerWaalsContact O-N 3.16Å |
| 194 | S | 46.5 | Very low | 43.1 | Very low | 70 Ų | 70 | 63 Ų | 63 | 49% | 0.49 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -73.1 | -27.8 | 177.7 | 78.7 | 0 | 0 | 0 | 0 | 112.2 | A190 A191 W192 L196 S197 | A190-S194 PolarHBondContact O-N 3.06Å; A191-S194 WeakPolarHBondContact O-CB 3.49Å; A191-S194 PolarHBondContact O-N 3.3Å; A191-S194 VanDerWaalsContact O-N 3.08Å; A191-S194 PolarHBondContact O-OG 3.47Å; W192-S194 PolarHBondContact O-N 3.3Å; S194-L196 VanDerWaalsContact C-N 3.29Å; S194-S197 VanDerWaalsContact O-CB 3.3Å; S194-S197 WeakPolarHBondContact O-CB 3.33Å; S194-S197 PolarHBondContact O-N 2.88Å; S194-S197 PolarHBondContact O-OG 3.05Å |
| 195 | T | 47.7 | Very low | 43.1 | Very low | 77 Ų | 77 | 61.4 Ų | 61.4 | 47% | 0.472 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -73.9 | -22.1 | 169.7 | 62.6 | 0 | 0 | 0 | 0 | 112.8 | A172 A191 W192 S193 S197 | A172-T195 HydrophobicContact CB-CG2 3.95Å; A191-T195 PolarHBondContact O-N 2.89Å; W192-T195 WeakPolarHBondContact CA-OG1 3.25Å; W192-T195 PolarHBondContact O-N 2.74Å; W192-T195 PolarHBondContact O-OG1 2.94Å; S193-T195 VanDerWaalsContact C-N 3.35Å; T195-S197 PolarHBondContact O-N 3.33Å |
| 196 | L | 42.7 | Very low | 43.4 | Very low | 47 Ų | 47 | 62.2 Ų | 62.2 | 25% | 0.246 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -78.5 | 6.3 | 171.3 | -93.9 | 81.1 | 0 | 0 | 0 | 113.4 | W192 S193 S194 N198 A199 I204 F207 | W192-L196 VanDerWaalsContact O-CD1 3.25Å; W192-L196 WeakPolarHBondContact O-CD1 3.3Å; W192-L196 PolarHBondContact O-N 2.95Å; S193-L196 WeakPolarHBondContact O-CB 3.46Å; S193-L196 PolarHBondContact O-N 3.43Å; S193-L196 VanDerWaalsContact O-N 3.16Å; S194-L196 VanDerWaalsContact C-N 3.29Å; L196-N198 PolarHBondContact O-N 2.65Å; L196-A199 HydrophobicContact CB-CB 4.3Å; L196-A199 HydrophobicContact CD2-CB 4.43Å; L196-A199 HydrophobicContact CG-CB 4.31Å; L196-A199 WeakPolarHBondContact O-CB 3.32Å; L196-A199 PolarHBondContact O-N 2.58Å; L196-I204 WeakPolarHBondContact O-CD1 3.09Å; L196-I204 WeakPolarHBondContact O-CG1 3.33Å; L196-F207 HydrophobicContact CD2-CB 4.39Å; L196-F207 HydrophobicContact CD2-CD2 4.28Å; L196-F207 HydrophobicContact CD2-CG 4.32Å |
| 197 | S | 41.4 | Very low | 43.8 | Very low | 77 Ų | 77 | 59.1 Ų | 59.1 | 54% | 0.538 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -57.5 | -17.8 | 179.5 | -61.3 | 0 | 0 | 0 | 0 | 114.5 | S194 T195 | S194-S197 VanDerWaalsContact O-CB 3.3Å; S194-S197 WeakPolarHBondContact O-CB 3.33Å; S194-S197 PolarHBondContact O-N 2.88Å; S194-S197 PolarHBondContact O-OG 3.05Å; T195-S197 PolarHBondContact O-N 3.33Å |
| 198 | N | 42.2 | Very low | 44.3 | Very low | 151 Ų | 151 | 59.8 Ų | 59.8 | 81% | 0.807 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -101.1 | 2.5 | 176.1 | -64.5 | -19.5 | 0 | 0 | 0 | 113.4 | L196 | L196-N198 PolarHBondContact O-N 2.65Š|
| 199 | A | 40.7 | Very low | 44.7 | Very low | 27 Ų | 27 | 59.8 Ų | 59.8 | 22% | 0.223 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -78.4 | 156.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110 | L196 A203 I204 | L196-A199 HydrophobicContact CB-CB 4.3Å; L196-A199 HydrophobicContact CD2-CB 4.43Å; L196-A199 HydrophobicContact CG-CB 4.31Å; L196-A199 WeakPolarHBondContact O-CB 3.32Å; L196-A199 PolarHBondContact O-N 2.58Å; A199-A203 HydrophobicContact CB-CB 3.79Å; A199-I204 HydrophobicContact CB-CG1 4.4Å; A199-I204 WeakPolarHBondContact O-CD1 3.4Å |
| 200 | S | 39.7 | Very low | 44.7 | Very low | 43 Ų | 43 | 60.6 Ų | 60.6 | 30% | 0.301 | 37% | 0.374 | S | S | . | . | | | trans | -54 | 149.4 | -179.6 | 81.3 | 0 | 0 | 0 | 0 | 110.9 | C202 A203 I204 | S200-C202 PolarHBondContact O-N 3.09Å; S200-C202 PolarHBondContact OG-N 3.23Å; S200-A203 WeakPolarHBondContact O-CA 3.37Å; S200-A203 WeakPolarHBondContact O-CB 3.18Å; S200-A203 PolarHBondContact O-N 3.24Å; S200-A203 PolarHBondContact OG-N 2.97Å; S200-I204 PolarHBondContact O-N 3.28Å; S200-I204 VanDerWaalsContact O-N 3.08Å |
| 201 | P | 41.3 | Very low | 45 | Very low | 92 Ų | 92 | 59.7 Ų | 59.7 | 60% | 0.597 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -50.2 | -29.8 | 175.4 | -27.6 | 34 | 0 | 0 | 0 | 113.1 | A205 | P201-A205 WeakPolarHBondContact O-CB 3.27Å; P201-A205 PolarHBondContact O-N 3.2Å |
| 202 | C | 35.5 | Very low | 45.1 | Very low | 61 Ų | 61 | 60.2 Ų | 60.2 | 41% | 0.412 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -69.1 | -39.3 | 174.8 | -173.2 | 0 | 0 | 0 | 0 | 113.1 | S200 A206 | S200-C202 PolarHBondContact O-N 3.09Å; S200-C202 PolarHBondContact OG-N 3.23Å; C202-A206 VanDerWaalsContact O-CB 3.27Å; C202-A206 WeakPolarHBondContact O-CB 3.08Å; C202-A206 PolarHBondContact O-N 3.06Å |
| 203 | A | 39.6 | Very low | 44.9 | Very low | 19 Ų | 19 | 59.1 Ų | 59.1 | 16% | 0.157 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -70.3 | -41.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | A199 S200 A206 F207 | A199-A203 HydrophobicContact CB-CB 3.79Å; S200-A203 WeakPolarHBondContact O-CA 3.37Å; S200-A203 WeakPolarHBondContact O-CB 3.18Å; S200-A203 PolarHBondContact O-N 3.24Å; S200-A203 PolarHBondContact OG-N 2.97Å; A203-A206 PolarHBondContact O-N 2.8Å; A203-F207 WeakPolarHBondContact O-CB 3.48Å; A203-F207 PolarHBondContact O-N 2.89Å |
| 204 | I | 46.6 | Very low | 44.7 | Very low | 42 Ų | 42 | 59 Ų | 59 | 22% | 0.215 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63 | -45.3 | 173.8 | -62.6 | 172.1 | 0 | 0 | 0 | 109.9 | L196 A199 S200 A206 F207 Q208 | L196-I204 WeakPolarHBondContact O-CD1 3.09Å; L196-I204 WeakPolarHBondContact O-CG1 3.33Å; A199-I204 HydrophobicContact CB-CG1 4.4Å; A199-I204 WeakPolarHBondContact O-CD1 3.4Å; S200-I204 PolarHBondContact O-N 3.28Å; S200-I204 VanDerWaalsContact O-N 3.08Å; I204-A206 PolarHBondContact O-N 3.29Å; I204-F207 PolarHBondContact O-N 3.43Å; I204-Q208 HydrophobicContact CG2-CG 4.28Å; I204-Q208 VanDerWaalsContact O-CB 3.3Å; I204-Q208 WeakPolarHBondContact O-CB 3.44Å; I204-Q208 VanDerWaalsContact O-CG 3.27Å; I204-Q208 WeakPolarHBondContact O-CG 3.46Å; I204-Q208 PolarHBondContact O-N 3.06Å |
| 205 | A | 43.4 | Very low | 44.7 | Very low | 50 Ų | 50 | 58.5 Ų | 58.5 | 41% | 0.413 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.1 | -39.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | P201 N209 | P201-A205 WeakPolarHBondContact O-CB 3.27Å; P201-A205 PolarHBondContact O-N 3.2Å; A205-N209 WeakPolarHBondContact O-CB 3.1Å; A205-N209 PolarHBondContact O-N 2.82Å |
| 206 | A | 41.9 | Very low | 44.5 | Very low | 33 Ų | 33 | 62.3 Ų | 62.3 | 27% | 0.273 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.2 | -43.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | C202 A203 I204 N209 A210 | C202-A206 VanDerWaalsContact O-CB 3.27Å; C202-A206 WeakPolarHBondContact O-CB 3.08Å; C202-A206 PolarHBondContact O-N 3.06Å; A203-A206 PolarHBondContact O-N 2.8Å; I204-A206 PolarHBondContact O-N 3.29Å; A206-N209 PolarHBondContact O-N 3.38Å; A206-A210 WeakPolarHBondContact O-CB 3.27Å; A206-A210 PolarHBondContact O-N 3.17Å |
| 207 | F | 47.6 | Very low | 44.2 | Very low | 44 Ų | 44 | 63.5 Ų | 63.5 | 19% | 0.193 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66 | -45.9 | 177.2 | -168.8 | -93.1 | 0 | 0 | 0 | 111.7 | L189 L196 A203 I204 N209 A210 L211 | L189-F207 HydrophobicContact CD2-CZ 3.99Å; L196-F207 HydrophobicContact CD2-CB 4.39Å; L196-F207 HydrophobicContact CD2-CD2 4.28Å; L196-F207 HydrophobicContact CD2-CG 4.32Å; A203-F207 WeakPolarHBondContact O-CB 3.48Å; A203-F207 PolarHBondContact O-N 2.89Å; I204-F207 PolarHBondContact O-N 3.43Å; F207-N209 VanDerWaalsContact C-N 3.35Å; F207-N209 PolarHBondContact O-N 3.21Å; F207-A210 PolarHBondContact O-N 3.01Å; F207-L211 HydrophobicContact CD1-CD1 3.71Å; F207-L211 HydrophobicContact CE1-CD1 3.21Å; F207-L211 HydrophobicContact CZ-CD1 3.94Å; F207-L211 WeakPolarHBondContact O-CB 3.04Å; F207-L211 PolarHBondContact O-N 3.25Å |
| 208 | Q | 56.8 | Low | 43.8 | Very low | 116 Ų | 116 | 62.5 Ų | 62.5 | 54% | 0.542 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.6 | -38 | 175.2 | -74.8 | 177.7 | -4.2 | 0 | 0 | 112.2 | I204 L211 A212 | I204-Q208 HydrophobicContact CG2-CG 4.28Å; I204-Q208 VanDerWaalsContact O-CB 3.3Å; I204-Q208 WeakPolarHBondContact O-CB 3.44Å; I204-Q208 VanDerWaalsContact O-CG 3.27Å; I204-Q208 WeakPolarHBondContact O-CG 3.46Å; I204-Q208 PolarHBondContact O-N 3.06Å; Q208-L211 WeakPolarHBondContact O-CB 3.3Å; Q208-L211 PolarHBondContact O-N 3.08Å; Q208-A212 VanDerWaalsContact O-CB 3.31Å; Q208-A212 WeakPolarHBondContact O-CB 3.46Å; Q208-A212 PolarHBondContact O-N 3.48Å |
| 209 | N | 50 | Low | 43.4 | Very low | 90 Ų | 90 | 58.6 Ų | 58.6 | 48% | 0.481 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -70.2 | -36.6 | 176.7 | -165.2 | -0.5 | 0 | 0 | 0 | 111.4 | A205 A206 F207 A212 Q213 | A205-N209 WeakPolarHBondContact O-CB 3.1Å; A205-N209 PolarHBondContact O-N 2.82Å; A206-N209 PolarHBondContact O-N 3.38Å; F207-N209 VanDerWaalsContact C-N 3.35Å; F207-N209 PolarHBondContact O-N 3.21Å; N209-A212 PolarHBondContact O-N 3.18Å; N209-Q213 WeakPolarHBondContact O-CB 3.21Å; N209-Q213 VanDerWaalsContact O-CG 3.26Å; N209-Q213 WeakPolarHBondContact O-CG 3.31Å; N209-Q213 PolarHBondContact O-N 2.72Å; N209-Q213 PolarHBondContact OD1-NE2 2.99Å |
| 210 | A | 44.8 | Very low | 43 | Very low | 33 Ų | 33 | 60.1 Ų | 60.1 | 27% | 0.273 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.2 | -42.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A206 F207 Q213 L214 | A206-A210 WeakPolarHBondContact O-CB 3.27Å; A206-A210 PolarHBondContact O-N 3.17Å; F207-A210 PolarHBondContact O-N 3.01Å; A210-Q213 PolarHBondContact O-N 2.79Å; A210-L214 WeakPolarHBondContact O-CB 3.44Å; A210-L214 WeakPolarHBondContact O-CD1 3.16Å; A210-L214 WeakPolarHBondContact O-CG 3.39Å; A210-L214 PolarHBondContact O-N 2.94Å |
| 211 | L | 52.6 | Low | 42.5 | Very low | 18 Ų | 18 | 62.1 Ų | 62.1 | 9% | 0.094 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.2 | -39.5 | 174.2 | -120.2 | 130.8 | 0 | 0 | 0 | 112.7 | Y186 L189 F207 Q208 L214 T215 | Y186-L211 HydrophobicContact CD2-CD2 4.14Å; Y186-L211 HydrophobicContact CE1-CD2 4.15Å; Y186-L211 HydrophobicContact CE2-CD2 3.44Å; Y186-L211 VanDerWaalsContact CE2-CD2 3.44Å; Y186-L211 VanDerWaalsContact CZ-CD2 3.44Å; Y186-L211 WeakPolarHBondContact OH-CD2 3.48Å; L189-L211 HydrophobicContact CB-CD1 4.43Å; F207-L211 HydrophobicContact CD1-CD1 3.71Å; F207-L211 HydrophobicContact CE1-CD1 3.21Å; F207-L211 HydrophobicContact CZ-CD1 3.94Å; F207-L211 WeakPolarHBondContact O-CB 3.04Å; F207-L211 PolarHBondContact O-N 3.25Å; Q208-L211 WeakPolarHBondContact O-CB 3.3Å; Q208-L211 PolarHBondContact O-N 3.08Å; L211-L214 WeakPolarHBondContact O-CB 3.48Å; L211-L214 PolarHBondContact O-N 3.07Å; L211-T215 WeakPolarHBondContact O-CB 3.46Å; L211-T215 PolarHBondContact O-N 3.26Å; L211-T215 PolarHBondContact O-OG1 3.1Å |
| 212 | A | 50.5 | Low | 41.7 | Very low | 53 Ų | 53 | 64.3 Ų | 64.3 | 44% | 0.438 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -67.6 | -39.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q208 N209 T215 L216 | Q208-A212 VanDerWaalsContact O-CB 3.31Å; Q208-A212 WeakPolarHBondContact O-CB 3.46Å; Q208-A212 PolarHBondContact O-N 3.48Å; N209-A212 PolarHBondContact O-N 3.18Å; A212-T215 PolarHBondContact O-N 3.11Å; A212-L216 VanDerWaalsContact O-CB 3.28Å; A212-L216 WeakPolarHBondContact O-CB 3.32Å; A212-L216 PolarHBondContact O-N 2.87Å |
| 213 | Q | 45.1 | Very low | 41.3 | Very low | 66 Ų | 66 | 66.2 Ų | 66.2 | 31% | 0.308 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -68.5 | -38.9 | 175.1 | -73.1 | 173.7 | 48.3 | 0 | 0 | 111.9 | L107 N209 A210 T215 L216 M217 | L107-Q213 HydrophobicContact CD2-CB 4.02Å; N209-Q213 WeakPolarHBondContact O-CB 3.21Å; N209-Q213 VanDerWaalsContact O-CG 3.26Å; N209-Q213 WeakPolarHBondContact O-CG 3.31Å; N209-Q213 PolarHBondContact O-N 2.72Å; N209-Q213 PolarHBondContact OD1-NE2 2.99Å; A210-Q213 PolarHBondContact O-N 2.79Å; Q213-T215 VanDerWaalsContact C-N 3.3Å; Q213-T215 PolarHBondContact O-N 3.35Å; Q213-L216 PolarHBondContact O-N 2.92Å; Q213-M217 WeakPolarHBondContact O-CB 3.36Å; Q213-M217 VanDerWaalsContact O-CG 3.23Å; Q213-M217 WeakPolarHBondContact O-CG 3.17Å; Q213-M217 PolarHBondContact O-N 2.81Å |
| 214 | L | 42.7 | Very low | 40.5 | Very low | 31 Ų | 31 | 70.9 Ų | 70.9 | 16% | 0.162 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -56.1 | -44.3 | 169.4 | -88.5 | 160 | 0 | 0 | 0 | 112.2 | L114 A210 L211 | L114-L214 HydrophobicContact CD1-CD1 4.23Å; A210-L214 WeakPolarHBondContact O-CB 3.44Å; A210-L214 WeakPolarHBondContact O-CD1 3.16Å; A210-L214 WeakPolarHBondContact O-CG 3.39Å; A210-L214 PolarHBondContact O-N 2.94Å; L211-L214 WeakPolarHBondContact O-CB 3.48Å; L211-L214 PolarHBondContact O-N 3.07Å |
| 215 | T | 45.2 | Very low | 39.6 | Very low | 58 Ų | 58 | 72.7 Ų | 72.7 | 36% | 0.356 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -68.7 | -42.5 | 177.4 | -53.4 | 0 | 0 | 0 | 0 | 111.3 | L211 A212 Q213 M217 G218 | L211-T215 WeakPolarHBondContact O-CB 3.46Å; L211-T215 PolarHBondContact O-N 3.26Å; L211-T215 PolarHBondContact O-OG1 3.1Å; A212-T215 PolarHBondContact O-N 3.11Å; Q213-T215 VanDerWaalsContact C-N 3.3Å; Q213-T215 PolarHBondContact O-N 3.35Å; T215-M217 PolarHBondContact O-N 2.89Å; T215-G218 PolarHBondContact O-N 3.08Å |
| 216 | L | 43.4 | Very low | 38.5 | Very low | 158 Ų | 158 | 76.3 Ų | 76.3 | 83% | 0.827 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -69.8 | -30.2 | -178.7 | -165.8 | 72.4 | 0 | 0 | 0 | 113 | A212 Q213 G218 | A212-L216 VanDerWaalsContact O-CB 3.28Å; A212-L216 WeakPolarHBondContact O-CB 3.32Å; A212-L216 PolarHBondContact O-N 2.87Å; Q213-L216 PolarHBondContact O-N 2.92Å; L216-G218 PolarHBondContact O-N 3.49Å |
| 217 | M | 37.4 | Very low | 37.8 | Very low | 72 Ų | 72 | 80.6 Ų | 80.6 | 36% | 0.355 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | 3.6 | 175.4 | -74.3 | 173.1 | 57.8 | 0 | 0 | 113.6 | L107 Q108 Q213 T215 L219 | L107-M217 HydrophobicContact CD2-SD 4.19Å; Q108-M217 HydrophobicContact CB-CE 4.02Å; Q108-M217 HydrophobicContact CG-CE 3.59Å; Q213-M217 WeakPolarHBondContact O-CB 3.36Å; Q213-M217 VanDerWaalsContact O-CG 3.23Å; Q213-M217 WeakPolarHBondContact O-CG 3.17Å; Q213-M217 PolarHBondContact O-N 2.81Å; T215-M217 PolarHBondContact O-N 2.89Å; M217-L219 HydrophobicContact CB-CD1 4.2Å; M217-L219 HydrophobicContact CB-CG 4.13Å; M217-L219 HydrophobicContact CE-CD1 3.71Å; M217-L219 PolarHBondContact O-N 3.45Å; M217-L219 VanDerWaalsContact O-N 3.14Å |
| 218 | G | 32.8 | Very low | 36.7 | Very low | 55 Ų | 55 | 84.5 Ų | 84.5 | 57% | 0.567 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.7 | 12.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | T215 L216 | T215-G218 PolarHBondContact O-N 3.08Å; L216-G218 PolarHBondContact O-N 3.49Å |
| 219 | L | 34.3 | Very low | 35 | Very low | 69 Ų | 69 | 84.8 Ų | 84.8 | 36% | 0.361 | 53% | 0.533 | S | S | . | . | | | trans | -85.5 | 1.9 | 177.6 | -62.9 | 177.5 | 0 | 0 | 0 | 112.1 | S111 M217 S221 | S111-L219 WeakPolarHBondContact OG-CD1 3.37Å; M217-L219 HydrophobicContact CB-CD1 4.2Å; M217-L219 HydrophobicContact CB-CG 4.13Å; M217-L219 HydrophobicContact CE-CD1 3.71Å; M217-L219 PolarHBondContact O-N 3.45Å; M217-L219 VanDerWaalsContact O-N 3.14Å; L219-S221 PolarHBondContact O-N 2.77Å; L219-S221 VanDerWaalsContact O-N 3.1Å |
| 220 | S | 31.2 | Very low | 33.8 | Very low | 60 Ų | 60 | 86.3 Ų | 86.3 | 42% | 0.42 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -63 | 107.5 | 155.3 | 62.2 | 0 | 0 | 0 | 0 | 107.1 | L222 | S220-L222 PolarHBondContact O-N 2.97Š|
| 221 | S | 29.6 | Very low | 32.9 | Very low | 84 Ų | 84 | 91 Ų | 91 | 59% | 0.587 | 57% | 0.571 | S | S | * | * | | | trans | -48.8 | 107.5 | 179.9 | 51.2 | 0 | 0 | 0 | 0 | 110.1 | L219 S223 | L219-S221 PolarHBondContact O-N 2.77Å; L219-S221 VanDerWaalsContact O-N 3.1Å; S221-S223 PolarHBondContact O-N 3.46Å |
| 222 | L | 24.9 | Very low | 31.6 | Very low | 139 Ų | 139 | 95.9 Ų | 95.9 | 73% | 0.728 | 60% | 0.602 | S | S | * | * | | | trans | -65.3 | 75.7 | 166.2 | -172.7 | 74.3 | 0 | 0 | 0 | 107.3 | M1 S220 T224 | M1-L222 HydrophobicContact CE-CD2 4.48Å; S220-L222 PolarHBondContact O-N 2.97Å; L222-T224 PolarHBondContact O-N 3.03Å; L222-T224 VanDerWaalsContact O-N 3.11Å |
| 223 | S | 27.6 | Very low | 30.3 | Very low | 101 Ų | 101 | 99.2 Ų | 99.2 | 71% | 0.706 | 62% | 0.617 | S | S | * | * | | | trans | -77.2 | 97.6 | 165.8 | -169 | 0 | 0 | 0 | 0 | 107.2 | S221 A225 | S221-S223 PolarHBondContact O-N 3.46Å; S223-A225 PolarHBondContact O-N 3.43Å |
| 224 | T | 23.1 | Very low | 29.4 | Very low | 117 Ų | 117 | 100.8 Ų | 100.8 | 72% | 0.718 | 64% | 0.635 | S | S | * | * | | | trans | -71.5 | 83.9 | 169.1 | -45.2 | 0 | 0 | 0 | 0 | 106.7 | L222 | L222-T224 PolarHBondContact O-N 3.03Å; L222-T224 VanDerWaalsContact O-N 3.11Å |
| 225 | A | 25.9 | Very low | 28.8 | Very low | 79 Ų | 79 | 105.4 Ų | 105.4 | 65% | 0.653 | 66% | 0.664 | S | S | * | * | | | trans | -113.8 | 84.3 | 171 | 0 | 0 | 0 | 0 | 0 | 108.9 | S223 T227 | S223-A225 PolarHBondContact O-N 3.43Å; A225-T227 PolarHBondContact O-N 2.85Å |
| 226 | T | 21.8 | Very low | 27.9 | Very low | 126 Ų | 126 | 109.2 Ų | 109.2 | 77% | 0.773 | 68% | 0.682 | S | S | * | * | | | trans | -50.8 | 113.8 | 149.9 | 14.1 | 0 | 0 | 0 | 0 | 108.3 | | |
| 227 | T | 25.6 | Very low | 27.1 | Very low | 123 Ų | 123 | 107.5 Ų | 107.5 | 76% | 0.755 | 68% | 0.679 | S | S | * | * | | | trans | 168.6 | 120.2 | 133.2 | 36.2 | 0 | 0 | 0 | 0 | 112 | A225 | A225-T227 PolarHBondContact O-N 2.85Š|
| 228 | T | 24.5 | Very low | 26.6 | Very low | 126 Ų | 126 | 109.9 Ų | 109.9 | 77% | 0.773 | 70% | 0.697 | S | S | * | * | | | trans | 48.9 | 111.7 | 144.7 | 39.7 | 0 | 0 | 0 | 0 | 120.1 | T230 | T228-T230 PolarHBondContact O-N 2.82Š|
| 229 | S | 22 | Very low | 26.3 | Very low | 123 Ų | 123 | 114 Ų | 114 | 86% | 0.86 | 71% | 0.706 | S | S | * | * | | | trans | -47.8 | 110.7 | 158.9 | -52.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 230 | T | 25.7 | Very low | 26 | Very low | 121 Ų | 121 | 115.2 Ų | 115.2 | 74% | 0.742 | 72% | 0.72 | S | S | * | * | | | trans | -133.5 | 101.1 | 153.4 | 38.1 | 0 | 0 | 0 | 0 | 108.4 | T228 V232 | T228-T230 PolarHBondContact O-N 2.82Å; T230-V232 PolarHBondContact O-N 3.35Å |
| 231 | T | 24.7 | Very low | 25.7 | Very low | 132 Ų | 132 | 116.8 Ų | 116.8 | 81% | 0.81 | 73% | 0.731 | S | S | * | * | | | trans | -63.3 | 114.9 | 169.5 | -28.3 | 0 | 0 | 0 | 0 | 108.4 | | |
| 232 | V | 25.8 | Very low | 25.6 | Very low | 121 Ų | 121 | 119.3 Ų | 119.3 | 73% | 0.733 | 74% | 0.738 | S | S | * | * | | | trans | -116.3 | 100.1 | 168.7 | -148.9 | 0 | 0 | 0 | 0 | 107.8 | T230 | T230-V232 PolarHBondContact O-N 3.35Š|
| 233 | T | 23.9 | Very low | 25.8 | Very low | 123 Ų | 123 | 119.8 Ų | 119.8 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | | | trans | -83.5 | 118.1 | 170.6 | -41.4 | 0 | 0 | 0 | 0 | 107 | | |
| 234 | S | 26.5 | Very low | 25.8 | Very low | 98 Ų | 98 | 121.7 Ų | 121.7 | 69% | 0.685 | 74% | 0.742 | S | S | * | * | | | trans | -127.3 | 92.2 | 175.7 | -48.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 235 | T | 28.2 | Very low | 26 | Very low | 128 Ų | 128 | 122.1 Ų | 122.1 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | | | trans | -88.3 | 114.4 | 156.7 | 48.6 | 0 | 0 | 0 | 0 | 107.8 | T237 | T235-T237 PolarHBondContact O-N 2.89Š|
| 236 | N | 26.8 | Very low | 26.1 | Very low | 138 Ų | 138 | 124.6 Ų | 124.6 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | | | trans | -53.4 | 129.4 | 158.9 | -62.2 | -39.5 | 0 | 0 | 0 | 107.1 | | |
| 237 | T | 26.4 | Very low | 26.5 | Very low | 122 Ų | 122 | 126.6 Ų | 126.6 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | | | | -174.5 | 138 | 71.5 | 39.3 | 0 | 0 | 0 | 0 | 111 | T235 | T235-T237 PolarHBondContact O-N 2.89Š|
| 238 | V | 27.5 | Very low | 26.7 | Very low | 123 Ų | 123 | 129.3 Ų | 129.3 | 75% | 0.745 | 75% | 0.753 | S | S | * | * | | | trans | 67.3 | 97.1 | 145.2 | -171.5 | 0 | 0 | 0 | 0 | 116.6 | | |
| 239 | D | 26.3 | Very low | 26.8 | Very low | 142 Ų | 142 | 127.1 Ų | 127.1 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | | | | -178.4 | 135.4 | 110.4 | -100.5 | -33.6 | 0 | 0 | 0 | 112.3 | | |
| 240 | S | 27.6 | Very low | 27.1 | Very low | 93 Ų | 93 | 129 Ų | 129 | 65% | 0.65 | 74% | 0.737 | S | S | * | * | | | trans | 63.2 | 92.9 | 141.2 | -50.8 | 0 | 0 | 0 | 0 | 119 | | |
| 241 | S | 26.3 | Very low | 27.5 | Very low | 93 Ų | 93 | 131 Ų | 131 | 65% | 0.65 | 74% | 0.743 | S | S | * | * | | | | 47.5 | 124.9 | 119.3 | 48.4 | 0 | 0 | 0 | 0 | 119.5 | | |
| 242 | N | 27.6 | Very low | 27.7 | Very low | 137 Ų | 137 | 130.9 Ų | 130.9 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | | | trans | 98.6 | 126.7 | 144 | -57.4 | -36.5 | 0 | 0 | 0 | 117.9 | | |
| 243 | L | 27.5 | Very low | 27.8 | Very low | 150 Ų | 150 | 133.8 Ų | 133.8 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | | | trans | 72.4 | 127.8 | 143 | -64.2 | 152.2 | 0 | 0 | 0 | 114.3 | | |
| 244 | L | 28.2 | Very low | 28 | Very low | 140 Ų | 140 | 132.9 Ų | 132.9 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | | | cis | -167.4 | 134.1 | 18.9 | -143.4 | 147.4 | 0 | 0 | 0 | 106.7 | | |
| 245 | V | 27.8 | Very low | 28.2 | Very low | 126 Ų | 126 | 134.4 Ų | 134.4 | 76% | 0.764 | 75% | 0.746 | S | S | * | * | | | trans | -57 | 135.2 | 167.7 | 169.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 246 | D | 28.6 | Very low | 28.1 | Very low | 131 Ų | 131 | 135.1 Ų | 135.1 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | | | trans | -153.3 | 113.9 | 145 | -110.2 | -26.5 | 0 | 0 | 0 | 113.3 | | |
| 247 | K | 28.2 | Very low | 28.3 | Very low | 169 Ų | 169 | 134 Ų | 134 | 74% | 0.735 | 75% | 0.748 | S | S | * | * | | | trans | 55.5 | 99.3 | 144 | -68.3 | 171.7 | -179.6 | -179.6 | 0 | 119.5 | | |
| 248 | I | 30.7 | Very low | 28.3 | Very low | 180 Ų | 180 | 133.8 Ų | 133.8 | 92% | 0.923 | 75% | 0.747 | S | S | * | * | | | | -137.5 | 107.7 | 115.1 | -56.6 | -174.7 | 0 | 0 | 0 | 108.3 | | |
| 249 | S | 26.8 | Very low | 28.4 | Very low | 79 Ų | 79 | 135.3 Ų | 135.3 | 55% | 0.552 | 75% | 0.75 | S | S | * | * | | | trans | -80.4 | 155.4 | 178.6 | 45.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 250 | H | 28.8 | Very low | 28.4 | Very low | 162 Ų | 162 | 135.5 Ų | 135.5 | 75% | 0.75 | 75% | 0.751 | S | S | * | * | | | trans | 85.4 | 99.5 | 160.4 | -56.7 | -69.2 | 0 | 0 | 0 | 117.7 | | |
| 251 | L | 33.4 | Very low | 28.2 | Very low | 165 Ų | 165 | 138.7 Ų | 138.7 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | | | | -178.7 | 94.3 | 113.7 | -89.5 | 154.7 | 0 | 0 | 0 | 110.6 | | |
| 252 | N | 28.8 | Very low | 28.1 | Very low | 129 Ų | 129 | 138.8 Ų | 138.8 | 69% | 0.69 | 76% | 0.76 | S | S | * | * | | | trans | 35.6 | 112.2 | 146.5 | -64 | 1.1 | 0 | 0 | 0 | 120.2 | | |
| 253 | E | 28.4 | Very low | 28.1 | Very low | 182 Ų | 182 | 138.5 Ų | 138.5 | 85% | 0.85 | 76% | 0.759 | S | S | * | * | | | | 68.8 | 133.8 | 89.7 | -87.3 | -176.3 | 156.1 | 0 | 0 | 113.3 | | |
| 254 | S | 27.5 | Very low | 28.1 | Very low | 104 Ų | 104 | 137.1 Ų | 137.1 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | | | cis | -166 | 163 | 16.6 | 51.1 | 0 | 0 | 0 | 0 | 106 | | |
| 255 | V | 31.2 | Very low | 28.1 | Very low | 129 Ų | 129 | 138.9 Ų | 138.9 | 78% | 0.782 | 76% | 0.756 | S | S | * | * | | | | -166.3 | 143.3 | 58.7 | -179.2 | 0 | 0 | 0 | 0 | 110 | | |
| 256 | N | 26 | Very low | 28.2 | Very low | 144 Ų | 144 | 138.6 Ų | 138.6 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | | | trans | -57.1 | 157.9 | -179.3 | -60.3 | -55.1 | 0 | 0 | 0 | 118.2 | | |
| 257 | S | 30.2 | Very low | 28.3 | Very low | 115 Ų | 115 | 138.9 Ų | 138.9 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | | | | 169 | 151.3 | 107.4 | 59.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 258 | V | 26.3 | Very low | 28.4 | Very low | 117 Ų | 117 | 138.7 Ų | 138.7 | 71% | 0.709 | 76% | 0.763 | S | S | * | * | | | cis | -177.3 | 156 | -10.3 | 139 | 0 | 0 | 0 | 0 | 104.9 | | |
| 259 | L | 29.8 | Very low | 28.5 | Very low | 155 Ų | 155 | 137.7 Ų | 137.7 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | | | trans | 91.4 | 141.2 | 166.1 | -51.5 | 173.4 | 0 | 0 | 0 | 118.8 | | |
| 260 | N | 26 | Very low | 28.5 | Very low | 146 Ų | 146 | 142.2 Ų | 142.2 | 78% | 0.781 | 76% | 0.761 | S | S | * | * | | | cis | -169.7 | 146.6 | -34.4 | -147.6 | -4 | 0 | 0 | 0 | 105 | | |
| 261 | L | 24.2 | Very low | 28.6 | Very low | 159 Ų | 159 | 139.3 Ų | 139.3 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | | | trans | -67.6 | 150.5 | -177.8 | -64.4 | 139 | 0 | 0 | 0 | 112.8 | | |
| 262 | S | 24.9 | Very low | 28.4 | Very low | 95 Ų | 95 | 139.1 Ų | 139.1 | 66% | 0.664 | 75% | 0.749 | S | S | * | * | | | | 153.9 | 137.1 | 109.4 | 87.4 | 0 | 0 | 0 | 0 | 113 | | |
| 263 | N | 27 | Very low | 28.6 | Very low | 132 Ų | 132 | 139.3 Ų | 139.3 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | | | trans | 66.4 | 152 | 138.4 | -64.2 | 23.3 | 0 | 0 | 0 | 118.1 | | |
| 264 | D | 27.9 | Very low | 28.9 | Very low | 120 Ų | 120 | 138.1 Ų | 138.1 | 64% | 0.642 | 75% | 0.745 | S | S | * | * | | | cis | -170 | 146.6 | -9.1 | -100.3 | -32.7 | 0 | 0 | 0 | 104.3 | | |
| 265 | E | 27 | Very low | 29.1 | Very low | 177 Ų | 177 | 139.5 Ų | 139.5 | 83% | 0.827 | 74% | 0.744 | S | S | * | * | | | trans | 51.1 | 157.2 | 145 | -65.1 | -172.2 | 142.7 | 0 | 0 | 124.1 | | |
| 266 | V | 29.7 | Very low | 29.2 | Very low | 121 Ų | 121 | 139.7 Ų | 139.7 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | | | trans | 98.8 | 85.9 | 155.8 | -160.9 | 0 | 0 | 0 | 0 | 117.1 | | |
| 267 | N | 30.5 | Very low | 29.4 | Very low | 137 Ų | 137 | 139.6 Ų | 139.6 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | | | | 177.9 | 109.5 | 113.2 | -103.3 | -30.3 | 0 | 0 | 0 | 112.5 | | |
| 268 | N | 30.8 | Very low | 29.4 | Very low | 164 Ų | 164 | 141.9 Ų | 141.9 | 88% | 0.877 | 75% | 0.751 | S | S | * | * | | | | 178.9 | 103.4 | 113.9 | -89.5 | -26.5 | 0 | 0 | 0 | 110.9 | | |
| 269 | H | 33 | Very low | 29.6 | Very low | 160 Ų | 160 | 141.6 Ų | 141.6 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | | | trans | -87.9 | 136.2 | 173.3 | -120 | -21.9 | 0 | 0 | 0 | 110.6 | | |
| 270 | Y | 26.8 | Very low | 29.4 | Very low | 174 Ų | 174 | 142.1 Ų | 142.1 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | | | trans | 65.4 | 145 | 145.1 | -78.5 | -63 | 0 | 0 | 0 | 118.6 | | |
| 271 | C | 30.3 | Very low | 29.2 | Very low | 100 Ų | 100 | 140 Ų | 140 | 68% | 0.676 | 75% | 0.75 | S | S | * | * | | | cis | -164.6 | 131.3 | 23.7 | -115.8 | 0 | 0 | 0 | 0 | 106.8 | | |
| 272 | K | 30.2 | Very low | 29.3 | Very low | 161 Ų | 161 | 138 Ų | 138 | 70% | 0.7 | 75% | 0.745 | S | S | * | * | | | | 80.7 | 139.4 | 89.2 | -95.9 | -174.9 | -179.8 | 177.5 | 0 | 117.2 | | |
| 273 | N | 33.3 | Very low | 29.5 | Very low | 133 Ų | 133 | 138.6 Ų | 138.6 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | | | trans | 93.1 | 137.2 | 158.8 | -58.4 | -13.4 | 0 | 0 | 0 | 116.8 | | |
| 274 | H | 33.6 | Very low | 29.4 | Very low | 158 Ų | 158 | 140 Ų | 140 | 73% | 0.731 | 76% | 0.757 | S | S | * | * | | | cis | -178.4 | 154.9 | -23.5 | -115.1 | -54.5 | 0 | 0 | 0 | 104.3 | | |
| 275 | N | 32.2 | Very low | 29.2 | Very low | 133 Ų | 133 | 139.6 Ų | 139.6 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | | | trans | 80.1 | 103 | 164.1 | -57.6 | -1.9 | 0 | 0 | 0 | 117.8 | | |
| 276 | C | 34.4 | Very low | 29.3 | Very low | 132 Ų | 132 | 136.8 Ų | 136.8 | 89% | 0.892 | 76% | 0.758 | S | S | * | * | | | | -171 | 120.7 | 96.2 | -87.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 277 | D | 30.1 | Very low | 29.1 | Very low | 143 Ų | 143 | 137 Ų | 137 | 77% | 0.765 | 76% | 0.759 | S | S | * | * | | | trans | -72.2 | 170.4 | -176 | -66 | -64.6 | 0 | 0 | 0 | 114.7 | | |
| 278 | I | 29.5 | Very low | 29.1 | Very low | 163 Ų | 163 | 136.6 Ų | 136.6 | 84% | 0.836 | 76% | 0.756 | S | S | * | * | | | trans | 106.6 | 139 | 144.4 | -73 | 146.9 | 0 | 0 | 0 | 118 | | |
| 279 | P | 29.5 | Very low | 28.9 | Very low | 110 Ų | 110 | 136 Ų | 136 | 71% | 0.714 | 75% | 0.753 | S | S | * | * | | | | -128.9 | 179.1 | -123 | 45.5 | -33.1 | 0 | 0 | 0 | 115.7 | | |
| 280 | L | 25.6 | Very low | 28.8 | Very low | 167 Ų | 167 | 135.4 Ų | 135.4 | 87% | 0.874 | 75% | 0.75 | S | S | * | * | | | trans | 21 | 136.7 | 147.1 | -127.8 | 73.5 | 0 | 0 | 0 | 121.8 | | |
| 281 | S | 23.3 | Very low | 28.7 | Very low | 100 Ų | 100 | 132.1 Ų | 132.1 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | | | trans | 77.2 | 129 | 161.2 | -170.1 | 0 | 0 | 0 | 0 | 114.6 | | |
| 282 | T | 26.4 | Very low | 28.7 | Very low | 118 Ų | 118 | 131.2 Ų | 131.2 | 72% | 0.724 | 75% | 0.751 | S | S | * | * | | | | -178.2 | 152.1 | 69.7 | -41 | 0 | 0 | 0 | 0 | 109.9 | | |
| 283 | S | 27.7 | Very low | 28.5 | Very low | 108 Ų | 108 | 132.5 Ų | 132.5 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | | | trans | 96.6 | 108.6 | 146.4 | -56.1 | 0 | 0 | 0 | 0 | 120.6 | | |
| 284 | N | 24.5 | Very low | 28.4 | Very low | 162 Ų | 162 | 135.4 Ų | 135.4 | 87% | 0.866 | 76% | 0.764 | S | S | * | * | | | trans | -66.5 | 166.6 | 157.2 | -67 | -35.4 | 0 | 0 | 0 | 112.6 | | |
| 285 | S | 24 | Very low | 28.4 | Very low | 111 Ų | 111 | 136.9 Ų | 136.9 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | | | trans | 80.2 | 122.4 | 168.4 | -147.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 286 | T | 28.8 | Very low | 28.3 | Very low | 118 Ų | 118 | 140.7 Ų | 140.7 | 72% | 0.724 | 78% | 0.778 | S | S | * | * | | | | -161.2 | 150.4 | 59.1 | 24 | 0 | 0 | 0 | 0 | 111.6 | I288 | T286-I288 PolarHBondContact O-N 3.5Š|
| 287 | V | 27.1 | Very low | 28.4 | Very low | 125 Ų | 125 | 139.8 Ų | 139.8 | 76% | 0.758 | 77% | 0.774 | S | S | * | * | | | trans | -33.1 | 120.6 | 160 | 178.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 288 | I | 30 | Very low | 28.6 | Very low | 128 Ų | 128 | 140.9 Ų | 140.9 | 66% | 0.656 | 77% | 0.774 | S | S | * | * | | | trans | -129 | 93.8 | 157.3 | -62.8 | -178.8 | 0 | 0 | 0 | 107.9 | T286 Q290 | T286-I288 PolarHBondContact O-N 3.5Å; I288-Q290 HydrophobicContact CG2-CB 4.12Å; I288-Q290 HydrophobicContact CG2-CG 3.58Å; I288-Q290 PolarHBondContact O-N 3.36Å; I288-Q290 VanDerWaalsContact O-N 3.13Å |
| 289 | N | 26.7 | Very low | 28.9 | Very low | 153 Ų | 153 | 140.9 Ų | 140.9 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | | | trans | -54.2 | 104.9 | 148.9 | -79.4 | -33.7 | 0 | 0 | 0 | 107.8 | | |
| 290 | Q | 29.9 | Very low | 29.2 | Very low | 146 Ų | 146 | 138.9 Ų | 138.9 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | | | trans | -126.1 | 88.8 | 158.1 | -87.5 | -178.7 | 30.9 | 0 | 0 | 108.4 | I288 T292 | I288-Q290 HydrophobicContact CG2-CB 4.12Å; I288-Q290 HydrophobicContact CG2-CG 3.58Å; I288-Q290 PolarHBondContact O-N 3.36Å; I288-Q290 VanDerWaalsContact O-N 3.13Å; Q290-T292 VanDerWaalsContact C-N 3.32Å; Q290-T292 PolarHBondContact O-N 2.86Å |
| 291 | A | 25.6 | Very low | 29.7 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 87% | 0.868 | 77% | 0.774 | S | S | * | * | | | trans | -47.2 | 100.9 | 152.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 292 | T | 29.9 | Very low | 30.7 | Very low | 82 Ų | 82 | 141.3 Ų | 141.3 | 50% | 0.503 | 78% | 0.781 | S | S | . | * | | | trans | -105.8 | 99.1 | 168 | 31.8 | 0 | 0 | 0 | 0 | 107.8 | Q290 Y294 | Q290-T292 VanDerWaalsContact C-N 3.32Å; Q290-T292 PolarHBondContact O-N 2.86Å; T292-Y294 HydrophobicContact CG2-CD2 4.35Å; T292-Y294 HydrophobicContact CG2-CE2 3.59Å; T292-Y294 PolarHBondContact O-N 2.92Å |
| 293 | M | 26.9 | Very low | 31.5 | Very low | 188 Ų | 188 | 141.9 Ų | 141.9 | 93% | 0.926 | 78% | 0.779 | S | S | * | * | | | trans | -55.7 | 98.7 | 162 | -75.3 | -159.1 | -72.5 | 0 | 0 | 109 | | |
| 294 | Y | 30.6 | Very low | 32.6 | Very low | 193 Ų | 193 | 143.7 Ų | 143.7 | 76% | 0.757 | 78% | 0.779 | S | S | * | * | | | trans | -110.9 | 100.1 | 170.7 | -77.7 | -64.7 | 0 | 0 | 0 | 110.7 | T292 | T292-Y294 HydrophobicContact CG2-CD2 4.35Å; T292-Y294 HydrophobicContact CG2-CE2 3.59Å; T292-Y294 PolarHBondContact O-N 2.92Å |
| 295 | K | 33.6 | Very low | 33.9 | Very low | 189 Ų | 189 | 142 Ų | 142 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | | | trans | 25.8 | 114.4 | 148.7 | -74.4 | -177.1 | 173.6 | -179.8 | 0 | 117.4 | S297 | K295-S297 PolarHBondContact O-N 3.08Š|
| 296 | K | 30.6 | Very low | 35.1 | Very low | 214 Ų | 214 | 147 Ų | 147 | 93% | 0.93 | 77% | 0.77 | S | S | * | * | | | trans | -42.4 | 108.6 | 149.7 | -74.9 | 178.7 | 173.5 | -176.7 | 0 | 109.9 | | |
| 297 | S | 37 | Very low | 36.3 | Very low | 113 Ų | 113 | 150.4 Ų | 150.4 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | | | trans | -120.2 | 111.9 | 155.2 | 64.6 | 0 | 0 | 0 | 0 | 107.4 | K295 | K295-S297 PolarHBondContact O-N 3.08Š|
| 298 | E | 32.5 | Very low | 37.3 | Very low | 166 Ų | 166 | 149.6 Ų | 149.6 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | | | trans | -40.8 | 158.7 | 167.3 | -130.3 | 95.2 | -177.1 | 0 | 0 | 113.1 | | |
| 299 | D | 35.8 | Very low | 38.3 | Very low | 162 Ų | 162 | 147.8 Ų | 147.8 | 87% | 0.866 | 78% | 0.777 | S | S | * | * | | | trans | 83.2 | 85.1 | 162.3 | -62.2 | -23.9 | 0 | 0 | 0 | 119.3 | | |
| 300 | G | 35.7 | Very low | 39.9 | Very low | 69 Ų | 69 | 144.2 Ų | 144.2 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | | | trans | 147.9 | 62.4 | 153.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | K302 | G300-K302 PolarHBondContact O-N 3.27Š|
| 301 | S | 36.8 | Very low | 41.5 | Very low | 121 Ų | 121 | 140.3 Ų | 140.3 | 85% | 0.846 | 75% | 0.751 | S | S | * | * | | | trans | -63.5 | 96.7 | 175.9 | -78 | 0 | 0 | 0 | 0 | 111.8 | I303 | S301-I303 PolarHBondContact O-N 2.82Š|
| 302 | K | 44.5 | Very low | 43.6 | Very low | 196 Ų | 196 | 140.6 Ų | 140.6 | 85% | 0.852 | 74% | 0.738 | S | S | * | * | | | trans | -74.5 | 105.6 | 163.6 | -70.5 | -177.5 | 179.7 | -176.7 | 0 | 108.5 | G300 I304 | G300-K302 PolarHBondContact O-N 3.27Å; K302-I304 PolarHBondContact O-N 3.35Å |
| 303 | I | 42.9 | Very low | 45.6 | Very low | 130 Ų | 130 | 142.1 Ų | 142.1 | 67% | 0.667 | 74% | 0.739 | S | S | * | * | | | trans | -78.1 | 109.6 | 171.9 | -58 | 173.6 | 0 | 0 | 0 | 107.7 | S301 I305 | S301-I303 PolarHBondContact O-N 2.82Å; I303-I305 HydrophobicContact CG2-CG1 3.79Å; I303-I305 PolarHBondContact O-N 2.82Å |
| 304 | I | 52.2 | Low | 47.8 | Very low | 147 Ų | 147 | 138.7 Ų | 138.7 | 75% | 0.754 | 72% | 0.721 | S | S | * | * | | | trans | -85.4 | 103.2 | 166.5 | -58 | 172.2 | 0 | 0 | 0 | 106.5 | K302 R306 | K302-I304 PolarHBondContact O-N 3.35Å; I304-R306 PolarHBondContact O-N 2.96Å |
| 305 | I | 50.9 | Low | 50 | Low | 125 Ų | 125 | 135.5 Ų | 135.5 | 64% | 0.641 | 71% | 0.711 | S | S | * | * | | | trans | -81.5 | 106.1 | 170.1 | -57.1 | 178.5 | 0 | 0 | 0 | 107 | I303 Q307 | I303-I305 HydrophobicContact CG2-CG1 3.79Å; I303-I305 PolarHBondContact O-N 2.82Å; I305-Q307 PolarHBondContact O-N 3.31Å |
| 306 | R | 49.6 | Very low | 51.9 | Low | 218 Ų | 218 | 131.9 Ų | 131.9 | 82% | 0.823 | 70% | 0.695 | S | S | * | * | | | trans | -71.7 | 113.7 | 162.4 | -64 | 179.2 | -179.7 | -124.3 | 0.5 | 106.1 | I304 T308 | I304-R306 PolarHBondContact O-N 2.96Å; R306-T308 PolarHBondContact O-N 3.38Å |
| 307 | Q | 54.1 | Low | 54 | Low | 189 Ų | 189 | 128.1 Ų | 128.1 | 88% | 0.883 | 68% | 0.679 | S | S | * | * | | | trans | -55.7 | 112 | 166 | -97.7 | 174.8 | -37.3 | 0 | 0 | 106.9 | I305 A309 | I305-Q307 PolarHBondContact O-N 3.31Å; Q307-A309 PolarHBondContact O-N 2.94Å; Q307-A309 VanDerWaalsContact O-N 3.14Å |
| 308 | T | 47.4 | Very low | 55.8 | Low | 108 Ų | 108 | 125.7 Ų | 125.7 | 66% | 0.663 | 67% | 0.666 | S | S | * | * | | | trans | -63.1 | 112.4 | 172.6 | 43.2 | 0 | 0 | 0 | 0 | 107 | R306 D310 A311 | R306-T308 PolarHBondContact O-N 3.38Å; T308-D310 PolarHBondContact O-N 3.15Å; T308-A311 PolarHBondContact O-N 3Å |
| 309 | A | 52 | Low | 58 | Low | 89 Ų | 89 | 122.1 Ų | 122.1 | 74% | 0.736 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | 2.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q307 | Q307-A309 PolarHBondContact O-N 2.94Å; Q307-A309 VanDerWaalsContact O-N 3.14Å |
| 310 | D | 59.6 | Low | 59.8 | Low | 79 Ų | 79 | 124 Ų | 124 | 42% | 0.422 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -85.3 | -18 | -176 | -144.8 | -8.7 | 0 | 0 | 0 | 113.2 | T308 D312 E313 H314 | T308-D310 PolarHBondContact O-N 3.15Å; D310-D312 VanDerWaalsContact C-N 3.31Å; D310-D312 PolarHBondContact O-N 3.3Å; D310-E313 PolarHBondContact O-N 3.23Å; D310-H314 WeakPolarHBondContact O-CB 3.39Å; D310-H314 PolarHBondContact O-CD2 3.03Å; D310-H314 PolarHBondContact O-N 3.23Å; D310-H314 IonicContact OD1-CD2 3.48Å; D310-H314 PolarHBondContact OD1-CD2 3.23Å; D310-H314 IonicContact OD1-NE2 3.78Å; D310-H314 IonicContact OD2-NE2 3.95Å |
| 311 | A | 63 | Low | 61.1 | Low | 64 Ų | 64 | 123.7 Ų | 123.7 | 53% | 0.529 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -64.2 | -38.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | T308 F315 | T308-A311 PolarHBondContact O-N 3Å; A311-F315 WeakPolarHBondContact O-CB 3.01Å; A311-F315 PolarHBondContact O-N 3.34Å |
| 312 | D | 69.8 | Low | 62.4 | Low | 111 Ų | 111 | 123.8 Ų | 123.8 | 59% | 0.594 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -70.8 | -40.7 | 177.1 | -66.2 | -24.5 | 0 | 0 | 0 | 110.8 | D310 H314 F315 F316 | D310-D312 VanDerWaalsContact C-N 3.31Å; D310-D312 PolarHBondContact O-N 3.3Å; D312-H314 PolarHBondContact O-N 3.38Å; D312-F315 PolarHBondContact O-N 3Å; D312-F316 HydrophobicContact CB-CD2 4.43Å; D312-F316 HydrophobicContact CB-CE2 4.29Å; D312-F316 WeakPolarHBondContact O-CD2 3.36Å; D312-F316 PolarHBondContact O-N 3.48Å |
| 313 | E | 73.2 | Confident | 63.1 | Low | 114 Ų | 114 | 123 Ų | 123 | 53% | 0.533 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -63.1 | -43.3 | 176.1 | -172.2 | 169.5 | 174.7 | 0 | 0 | 111.4 | D310 F315 F316 K317 | D310-E313 PolarHBondContact O-N 3.23Å; E313-F315 VanDerWaalsContact C-N 3.35Å; E313-F315 PolarHBondContact O-N 3.47Å; E313-F316 PolarHBondContact O-N 2.96Å; E313-K317 WeakPolarHBondContact O-CB 3.46Å; E313-K317 PolarHBondContact O-N 3.12Å |
| 314 | H | 72.2 | Confident | 63.8 | Low | 116 Ų | 116 | 121.7 Ų | 121.7 | 54% | 0.537 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -61.4 | -40 | 173.9 | -84.8 | -71.1 | 0 | 0 | 0 | 112.7 | D310 D312 K317 A318 | D310-H314 WeakPolarHBondContact O-CB 3.39Å; D310-H314 PolarHBondContact O-CD2 3.03Å; D310-H314 PolarHBondContact O-N 3.23Å; D310-H314 IonicContact OD1-CD2 3.48Å; D310-H314 PolarHBondContact OD1-CD2 3.23Å; D310-H314 IonicContact OD1-NE2 3.78Å; D310-H314 IonicContact OD2-NE2 3.95Å; D312-H314 PolarHBondContact O-N 3.38Å; H314-K317 PolarHBondContact O-N 3.17Å; H314-A318 WeakPolarHBondContact O-CB 3.43Å; H314-A318 PolarHBondContact O-N 3.27Å |
| 315 | F | 76.8 | Confident | 63.4 | Low | 126 Ų | 126 | 120.6 Ų | 120.6 | 55% | 0.553 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -65.8 | -46.1 | 175.9 | -177.2 | -104.1 | 0 | 0 | 0 | 112.1 | A311 D312 E313 K317 A318 L319 | A311-F315 WeakPolarHBondContact O-CB 3.01Å; A311-F315 PolarHBondContact O-N 3.34Å; D312-F315 PolarHBondContact O-N 3Å; E313-F315 VanDerWaalsContact C-N 3.35Å; E313-F315 PolarHBondContact O-N 3.47Å; F315-K317 VanDerWaalsContact C-N 3.33Å; F315-K317 PolarHBondContact O-N 3.18Å; F315-A318 PolarHBondContact O-N 2.82Å; F315-L319 HydrophobicContact CD1-CD1 3.88Å; F315-L319 HydrophobicContact CE1-CD1 3.38Å; F315-L319 HydrophobicContact CE1-CG 4.27Å; F315-L319 HydrophobicContact CZ-CD1 3.81Å; F315-L319 HydrophobicContact CZ-CG 4.35Å; F315-L319 PolarHBondContact O-N 3.01Å |
| 316 | F | 72.8 | Confident | 62.9 | Low | 112 Ų | 112 | 120.1 Ų | 120.1 | 49% | 0.491 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -68 | -31.4 | 177.1 | -72.6 | -62.2 | 0 | 0 | 0 | 112.8 | D312 E313 L319 R320 | D312-F316 HydrophobicContact CB-CD2 4.43Å; D312-F316 HydrophobicContact CB-CE2 4.29Å; D312-F316 WeakPolarHBondContact O-CD2 3.36Å; D312-F316 PolarHBondContact O-N 3.48Å; E313-F316 PolarHBondContact O-N 2.96Å; F316-L319 HydrophobicContact CD1-CD1 4.46Å; F316-L319 PolarHBondContact O-N 2.82Å; F316-R320 WeakPolarHBondContact O-CB 3.46Å; F316-R320 WeakPolarHBondContact O-CG 3.45Å; F316-R320 PolarHBondContact O-N 3.21Å |
| 317 | K | 75.4 | Confident | 62.4 | Low | 135 Ų | 135 | 114.3 Ų | 114.3 | 59% | 0.587 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -69.6 | -37.6 | 174.5 | -157.2 | 170.3 | -171.9 | 173.3 | 0 | 111.3 | E313 H314 F315 R320 G321 | E313-K317 WeakPolarHBondContact O-CB 3.46Å; E313-K317 PolarHBondContact O-N 3.12Å; H314-K317 PolarHBondContact O-N 3.17Å; F315-K317 VanDerWaalsContact C-N 3.33Å; F315-K317 PolarHBondContact O-N 3.18Å; K317-R320 PolarHBondContact O-N 2.91Å; K317-G321 PolarHBondContact O-N 3.17Å; K317-G321 VanDerWaalsContact O-N 3.1Å |
| 318 | A | 75.2 | Confident | 61.7 | Low | 63 Ų | 63 | 110.6 Ų | 110.6 | 52% | 0.521 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -65.4 | -43 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | H314 F315 G321 L322 | H314-A318 WeakPolarHBondContact O-CB 3.43Å; H314-A318 PolarHBondContact O-N 3.27Å; F315-A318 PolarHBondContact O-N 2.82Å; A318-G321 PolarHBondContact O-N 3.27Å; A318-L322 PolarHBondContact O-N 3.33Å |
| 319 | L | 77.8 | Confident | 61 | Low | 91 Ų | 91 | 112.4 Ų | 112.4 | 48% | 0.476 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -64.5 | -39.5 | 175.2 | -76.8 | 173.5 | 0 | 0 | 0 | 112.6 | F315 F316 G321 L322 | F315-L319 HydrophobicContact CD1-CD1 3.88Å; F315-L319 HydrophobicContact CE1-CD1 3.38Å; F315-L319 HydrophobicContact CE1-CG 4.27Å; F315-L319 HydrophobicContact CZ-CD1 3.81Å; F315-L319 HydrophobicContact CZ-CG 4.35Å; F315-L319 PolarHBondContact O-N 3.01Å; F316-L319 HydrophobicContact CD1-CD1 4.46Å; F316-L319 PolarHBondContact O-N 2.82Å; L319-G321 VanDerWaalsContact C-N 3.28Å; L319-G321 PolarHBondContact O-N 3.37Å; L319-L322 WeakPolarHBondContact O-CB 3.19Å; L319-L322 PolarHBondContact O-N 3.21Å |
| 320 | R | 74 | Confident | 60.3 | Low | 201 Ų | 201 | 115.7 Ų | 115.7 | 76% | 0.758 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -67.7 | -25.7 | 175.3 | -77.1 | -170.1 | -115 | 149.1 | -3.1 | 113.4 | F316 K317 L322 | F316-R320 WeakPolarHBondContact O-CB 3.46Å; F316-R320 WeakPolarHBondContact O-CG 3.45Å; F316-R320 PolarHBondContact O-N 3.21Å; K317-R320 PolarHBondContact O-N 2.91Å; R320-L322 VanDerWaalsContact C-N 3.33Å |
| 321 | G | 64.2 | Low | 59.2 | Low | 62 Ų | 62 | 120.9 Ų | 120.9 | 64% | 0.639 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -78.5 | -14.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114 | K317 A318 L319 K323 | K317-G321 PolarHBondContact O-N 3.17Å; K317-G321 VanDerWaalsContact O-N 3.1Å; A318-G321 PolarHBondContact O-N 3.27Å; L319-G321 VanDerWaalsContact C-N 3.28Å; L319-G321 PolarHBondContact O-N 3.37Å; G321-K323 VanDerWaalsContact C-N 3.28Å; G321-K323 PolarHBondContact O-N 3.22Å |
| 322 | L | 64.1 | Low | 57.8 | Low | 124 Ų | 124 | 122.4 Ų | 122.4 | 65% | 0.649 | 65% | 0.645 | S | S | * | * | | | trans | -81.1 | 73 | -179 | -132.6 | 108.6 | 0 | 0 | 0 | 110.5 | A318 L319 R320 V324 | A318-L322 PolarHBondContact O-N 3.33Å; L319-L322 WeakPolarHBondContact O-CB 3.19Å; L319-L322 PolarHBondContact O-N 3.21Å; R320-L322 VanDerWaalsContact C-N 3.33Å; L322-V324 HydrophobicContact CD2-CG2 4.14Å; L322-V324 PolarHBondContact O-N 3.12Å; L322-V324 VanDerWaalsContact O-N 3.09Å |
| 323 | K | 58 | Low | 56.1 | Low | 178 Ų | 178 | 122.6 Ų | 122.6 | 77% | 0.774 | 65% | 0.652 | S | S | * | * | | | trans | -75.1 | 96 | 169.5 | -163.9 | 170.3 | 176.5 | -177.9 | 0 | 108.1 | G321 D325 | G321-K323 VanDerWaalsContact C-N 3.28Å; G321-K323 PolarHBondContact O-N 3.22Å; K323-D325 PolarHBondContact O-N 3.09Å; K323-D325 VanDerWaalsContact O-N 3.12Å |
| 324 | V | 57.2 | Low | 54.2 | Low | 104 Ų | 104 | 124.1 Ų | 124.1 | 63% | 0.63 | 66% | 0.664 | S | S | * | * | | | trans | -72.5 | 101.5 | 170.8 | -178.8 | 0 | 0 | 0 | 0 | 107 | L322 V326 | L322-V324 HydrophobicContact CD2-CG2 4.14Å; L322-V324 PolarHBondContact O-N 3.12Å; L322-V324 VanDerWaalsContact O-N 3.09Å; V324-V326 VanDerWaalsContact C-N 3.3Å; V324-V326 HydrophobicContact CG1-CG2 4.14Å; V324-V326 PolarHBondContact O-N 2.95Å |
| 325 | D | 43.7 | Very low | 52.5 | Low | 124 Ų | 124 | 126.4 Ų | 126.4 | 66% | 0.663 | 68% | 0.679 | S | S | * | * | | | trans | -65.7 | 95.1 | 166.8 | -74 | -30.8 | 0 | 0 | 0 | 107.9 | K323 S327 | K323-D325 PolarHBondContact O-N 3.09Å; K323-D325 VanDerWaalsContact O-N 3.12Å; D325-S327 PolarHBondContact O-N 3.19Å |
| 326 | V | 41.6 | Very low | 50.5 | Low | 115 Ų | 115 | 128 Ų | 128 | 70% | 0.697 | 69% | 0.689 | S | S | * | * | | | trans | -71.4 | 75.8 | 166.7 | -174.3 | 0 | 0 | 0 | 0 | 107.1 | V324 T328 | V324-V326 VanDerWaalsContact C-N 3.3Å; V324-V326 HydrophobicContact CG1-CG2 4.14Å; V324-V326 PolarHBondContact O-N 2.95Å; V326-T328 VanDerWaalsContact C-N 3.32Å; V326-T328 HydrophobicContact CG1-CG2 4.21Å; V326-T328 PolarHBondContact O-N 3.31Å |
| 327 | S | 37.6 | Very low | 48.6 | Very low | 96 Ų | 96 | 132.9 Ų | 132.9 | 67% | 0.671 | 71% | 0.71 | S | S | * | * | | | trans | -71.9 | 94.6 | 165.9 | -76.8 | 0 | 0 | 0 | 0 | 107.9 | D325 N329 | D325-S327 PolarHBondContact O-N 3.19Å; S327-N329 PolarHBondContact O-N 3.42Å |
| 328 | T | 39.6 | Very low | 46.8 | Very low | 110 Ų | 110 | 135 Ų | 135 | 68% | 0.675 | 72% | 0.722 | S | S | * | * | | | trans | -62.2 | 79.2 | 163.4 | 51.9 | 0 | 0 | 0 | 0 | 109.6 | V326 L330 | V326-T328 VanDerWaalsContact C-N 3.32Å; V326-T328 HydrophobicContact CG1-CG2 4.21Å; V326-T328 PolarHBondContact O-N 3.31Å; T328-L330 PolarHBondContact O-N 3.24Å; T328-L330 VanDerWaalsContact O-N 3.17Å |
| 329 | N | 33.3 | Very low | 44.9 | Very low | 147 Ų | 147 | 137.1 Ų | 137.1 | 79% | 0.786 | 73% | 0.732 | S | S | * | * | | | trans | -83.9 | 54.7 | 158.5 | -94.8 | -40.2 | 0 | 0 | 0 | 109.4 | S327 K331 | S327-N329 PolarHBondContact O-N 3.42Å; N329-K331 PolarHBondContact O-N 3.1Å; N329-K331 VanDerWaalsContact O-N 3.12Å |
| 330 | L | 38.1 | Very low | 42.8 | Very low | 157 Ų | 157 | 137.3 Ų | 137.3 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | | | trans | -79.7 | 73.1 | 155.8 | -75 | 168.5 | 0 | 0 | 0 | 106.9 | T328 | T328-L330 PolarHBondContact O-N 3.24Å; T328-L330 VanDerWaalsContact O-N 3.17Å |
| 331 | K | 35 | Very low | 41 | Very low | 189 Ų | 189 | 135.7 Ų | 135.7 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | | | trans | -98.4 | 87.4 | 161.6 | -146.9 | 155.5 | -171.6 | 173.5 | 0 | 106.7 | N329 | N329-K331 PolarHBondContact O-N 3.1Å; N329-K331 VanDerWaalsContact O-N 3.12Å |
| 332 | S | 33.5 | Very low | 39.5 | Very low | 96 Ų | 96 | 137.3 Ų | 137.3 | 67% | 0.671 | 75% | 0.748 | S | S | * | * | | | trans | -42.4 | 139.7 | 167.7 | -31.8 | 0 | 0 | 0 | 0 | 110.2 | N334 | S332-N334 PolarHBondContact O-N 3.48Š|
| 333 | P | 36 | Very low | 38 | Very low | 114 Ų | 114 | 139.9 Ų | 139.9 | 74% | 0.74 | 76% | 0.756 | S | S | * | * | | | trans | -68.7 | 116.7 | -175.6 | 28.3 | -31.8 | 0 | 0 | 0 | 109.5 | L335 | P333-L335 VanDerWaalsContact C-N 3.29Å; P333-L335 PolarHBondContact O-N 2.95Å |
| 334 | N | 32.3 | Very low | 36.9 | Very low | 147 Ų | 147 | 140.5 Ų | 140.5 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | | | trans | -80.5 | 80.4 | 174.2 | -155.9 | -32.2 | 0 | 0 | 0 | 109.4 | S332 Q336 | S332-N334 PolarHBondContact O-N 3.48Å; N334-Q336 VanDerWaalsContact C-N 3.32Å; N334-Q336 PolarHBondContact O-N 2.97Å |
| 335 | L | 37 | Very low | 35.5 | Very low | 163 Ų | 163 | 139.9 Ų | 139.9 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | | | trans | -82.8 | 74.7 | 161.6 | -82.7 | 164.5 | 0 | 0 | 0 | 108.6 | P333 | P333-L335 VanDerWaalsContact C-N 3.29Å; P333-L335 PolarHBondContact O-N 2.95Å |
| 336 | Q | 34.4 | Very low | 35 | Very low | 161 Ų | 161 | 140.1 Ų | 140.1 | 75% | 0.752 | 76% | 0.76 | S | S | * | * | | | trans | -160.1 | 88 | 165.6 | -131.8 | 172.7 | 13.4 | 0 | 0 | 112.3 | N334 | N334-Q336 VanDerWaalsContact C-N 3.32Å; N334-Q336 PolarHBondContact O-N 2.97Å |
| 337 | K | 32.9 | Very low | 34.8 | Very low | 214 Ų | 214 | 141.9 Ų | 141.9 | 93% | 0.93 | 77% | 0.765 | S | S | * | * | | | trans | -152.6 | 75.4 | 141.1 | -106.6 | 176.1 | -171.8 | -174.3 | 0 | 108.3 | | |
| 338 | Q | 38.4 | Very low | 34.5 | Very low | 179 Ų | 179 | 143.5 Ų | 143.5 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | | | trans | -66.1 | 138.8 | 148.9 | -77.7 | 179.1 | -31.2 | 0 | 0 | 108.8 | | |
| 339 | S | 34.3 | Very low | 34.2 | Very low | 107 Ų | 107 | 144 Ų | 144 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | trans | 65.4 | 142.1 | 136.7 | -165.4 | 0 | 0 | 0 | 0 | 121.3 | | |
| 340 | S | 33.6 | Very low | 34.2 | Very low | 96 Ų | 96 | 143 Ų | 143 | 67% | 0.671 | 78% | 0.776 | S | S | * | * | | | trans | 81.5 | 97.8 | 150.9 | 23.5 | 0 | 0 | 0 | 0 | 119.1 | | |
| 341 | I | 37 | Very low | 34 | Very low | 166 Ų | 166 | 141.6 Ų | 141.6 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | | | | 32.4 | 120.3 | 109.6 | -61.9 | 164.4 | 0 | 0 | 0 | 116 | | |
| 342 | S | 32.2 | Very low | 33.8 | Very low | 96 Ų | 96 | 137.7 Ų | 137.7 | 67% | 0.671 | 77% | 0.77 | S | S | * | * | | | trans | 71.8 | 120.2 | 147.1 | -168 | 0 | 0 | 0 | 0 | 119.1 | | |
| 343 | E | 31.2 | Very low | 33.7 | Very low | 178 Ų | 178 | 141.1 Ų | 141.1 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | | | trans | 17.8 | 127.6 | 142.2 | -62.6 | 178.2 | 144.5 | 0 | 0 | 119 | | |
| 344 | K | 36.1 | Very low | 33.6 | Very low | 191 Ų | 191 | 141.2 Ų | 141.2 | 83% | 0.83 | 78% | 0.783 | S | S | * | * | | | | 143.8 | 120.8 | 109.7 | -154.8 | 163.1 | -172.1 | 173.3 | 0 | 112.9 | | |
| 345 | C | 27.5 | Very low | 33.7 | Very low | 92 Ų | 92 | 140.6 Ų | 140.6 | 62% | 0.622 | 79% | 0.785 | S | S | * | * | | | trans | 56.7 | 118 | 147.2 | -74.4 | 0 | 0 | 0 | 0 | 122.8 | | |
| 346 | N | 32.5 | Very low | 33.5 | Very low | 129 Ų | 129 | 138.2 Ų | 138.2 | 69% | 0.69 | 78% | 0.779 | S | S | * | * | | | | 67.9 | 108.2 | 117.8 | -54.2 | -6 | 0 | 0 | 0 | 119 | | |
| 347 | N | 37.4 | Very low | 33.4 | Very low | 152 Ų | 152 | 137.3 Ų | 137.3 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | | | | 164 | 127.2 | 106.7 | -77.8 | -31.9 | 0 | 0 | 0 | 113.2 | | |
| 348 | T | 33.1 | Very low | 33.4 | Very low | 129 Ų | 129 | 132.3 Ų | 132.3 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | | | trans | 1.6 | 138.8 | 158.5 | 20.8 | 0 | 0 | 0 | 0 | 123.4 | | |
| 349 | P | 33.4 | Very low | 33.1 | Very low | 120 Ų | 120 | 131.1 Ų | 131.1 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | | | trans | -97.2 | 148.4 | 177 | 38.2 | -31.2 | 0 | 0 | 0 | 113.3 | | |
| 350 | T | 32.6 | Very low | 33.1 | Very low | 128 Ų | 128 | 133.7 Ų | 133.7 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | | | trans | -155.2 | 108.5 | 170.9 | -60.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 351 | V | 33.1 | Very low | 33 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | | | trans | 74.2 | 142.8 | 130.6 | -162.3 | 0 | 0 | 0 | 0 | 122.3 | | |
| 352 | S | 32 | Very low | 32.7 | Very low | 107 Ų | 107 | 135.3 Ų | 135.3 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | | | trans | 110 | 94.1 | 141.6 | 1.8 | 0 | 0 | 0 | 0 | 121.4 | | |
| 353 | L | 29.9 | Very low | 32.8 | Very low | 168 Ų | 168 | 138.1 Ų | 138.1 | 88% | 0.88 | 79% | 0.785 | S | S | * | * | | | trans | -8.1 | 133.8 | 135.2 | -154.9 | 72.4 | 0 | 0 | 0 | 119.3 | | |
| 354 | S | 34.9 | Very low | 32.8 | Very low | 115 Ų | 115 | 139.5 Ų | 139.5 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | trans | -164.7 | 108.5 | 152.5 | -68.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 355 | T | 33.7 | Very low | 32.7 | Very low | 135 Ų | 135 | 133.6 Ų | 133.6 | 83% | 0.828 | 78% | 0.782 | S | S | * | * | | | trans | 31.2 | 137.4 | 140.3 | -35.7 | 0 | 0 | 0 | 0 | 122.8 | | |
| 356 | P | 34.1 | Very low | 32.9 | Very low | 112 Ų | 112 | 138.7 Ų | 138.7 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | trans | -88.3 | 151.9 | -172.9 | 37 | -35.2 | 0 | 0 | 0 | 113.5 | | |
| 357 | T | 31.8 | Very low | 33 | Very low | 142 Ų | 142 | 141.6 Ų | 141.6 | 87% | 0.871 | 81% | 0.807 | S | S | * | * | | | trans | 164 | 107.4 | 143.6 | -64.1 | 0 | 0 | 0 | 0 | 108.3 | | |
| 358 | S | 33.3 | Very low | 33.1 | Very low | 110 Ų | 110 | 143.3 Ų | 143.3 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | | | trans | -172.2 | 123.3 | 147.1 | -173.3 | 0 | 0 | 0 | 0 | 109.7 | Q360 | S358-Q360 PolarHBondContact O-N 3.49Š|
| 359 | I | 31.7 | Very low | 33 | Very low | 153 Ų | 153 | 144.3 Ų | 144.3 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | | | trans | -53.5 | 120.5 | 170.5 | -62.4 | 157.5 | 0 | 0 | 0 | 108.5 | | |
| 360 | Q | 34.2 | Very low | 33 | Very low | 161 Ų | 161 | 147.1 Ų | 147.1 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | | | trans | -105.9 | 109.5 | 158.4 | -86.6 | -175 | 9.1 | 0 | 0 | 107.5 | S358 F362 | S358-Q360 PolarHBondContact O-N 3.49Å; Q360-F362 PolarHBondContact O-N 3.28Å |
| 361 | S | 31 | Very low | 32.8 | Very low | 111 Ų | 111 | 149 Ų | 149 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | | | trans | -53.9 | 118.2 | 164 | -57.4 | 0 | 0 | 0 | 0 | 109 | D363 | S361-D363 PolarHBondContact O-N 2.98Š|
| 362 | F | 31.1 | Very low | 32.8 | Very low | 186 Ų | 186 | 154.1 Ų | 154.1 | 82% | 0.816 | 81% | 0.814 | S | S | * | * | | | trans | -84.6 | 107.2 | 166.1 | -83.1 | -86.3 | 0 | 0 | 0 | 108.1 | Q360 | Q360-F362 PolarHBondContact O-N 3.28Š|
| 363 | D | 34 | Very low | 32.8 | Very low | 154 Ų | 154 | 153.8 Ų | 153.8 | 82% | 0.824 | 81% | 0.809 | S | S | * | * | | | trans | -71.3 | 136.6 | 173 | -156.4 | -0.5 | 0 | 0 | 0 | 109.7 | S361 G365 | S361-D363 PolarHBondContact O-N 2.98Å; D363-G365 PolarHBondContact O-N 3.44Å |
| 364 | F | 31.4 | Very low | 32.9 | Very low | 207 Ų | 207 | 153.2 Ų | 153.2 | 91% | 0.908 | 81% | 0.806 | S | S | * | * | | | trans | -73.3 | 88.2 | -178.9 | -89.8 | -96.6 | 0 | 0 | 0 | 109.7 | | |
| 365 | G | 34.1 | Very low | 32.8 | Very low | 67 Ų | 67 | 155.1 Ų | 155.1 | 69% | 0.691 | 81% | 0.808 | S | S | * | * | | | trans | -85.8 | 116.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111 | D363 E367 | D363-G365 PolarHBondContact O-N 3.44Å; G365-E367 PolarHBondContact O-N 3.45Å |
| 366 | E | 32.2 | Very low | 32.6 | Very low | 199 Ų | 199 | 154.7 Ų | 154.7 | 93% | 0.93 | 80% | 0.804 | S | S | * | * | | | trans | -47.2 | 97 | 174.1 | -64.2 | 176 | 156.6 | 0 | 0 | 112.8 | | |
| 367 | E | 34.5 | Very low | 32.3 | Very low | 191 Ų | 191 | 152.6 Ų | 152.6 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | | | trans | -88.9 | 115.1 | 168.5 | -164.2 | 172.6 | -172.2 | 0 | 0 | 109.9 | G365 I369 | G365-E367 PolarHBondContact O-N 3.45Å; E367-I369 PolarHBondContact O-N 3.23Å |
| 368 | K | 38.5 | Very low | 32.3 | Very low | 188 Ų | 188 | 154.7 Ų | 154.7 | 82% | 0.817 | 80% | 0.803 | S | S | * | * | | | trans | -55 | 121.2 | -177.6 | -65.6 | 175.6 | 179.2 | 178.3 | 0 | 111.6 | Q370 | K368-Q370 PolarHBondContact O-N 3.02Å; K368-Q370 VanDerWaalsContact O-N 3.08Å |
| 369 | I | 32.3 | Very low | 32.2 | Very low | 150 Ų | 150 | 159.6 Ų | 159.6 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | | | trans | -8.3 | 99.4 | 146.8 | -56.7 | 166.4 | 0 | 0 | 0 | 112.6 | E367 Q371 | E367-I369 PolarHBondContact O-N 3.23Å; I369-Q371 HydrophobicContact CG2-CB 3.85Å |
| 370 | Q | 33.2 | Very low | 32.4 | Very low | 178 Ų | 178 | 161 Ų | 161 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | | | trans | -96.1 | 87.9 | 147.6 | -75.6 | -175.4 | 27.7 | 0 | 0 | 107.2 | K368 W372 | K368-Q370 PolarHBondContact O-N 3.02Å; K368-Q370 VanDerWaalsContact O-N 3.08Å; Q370-W372 PolarHBondContact O-N 3.47Å |
| 371 | Q | 28.7 | Very low | 32.3 | Very low | 169 Ų | 169 | 162.5 Ų | 162.5 | 79% | 0.79 | 82% | 0.82 | S | S | * | * | | | trans | -60.4 | 111.9 | 166.3 | -173.6 | 172 | 22.5 | 0 | 0 | 107.7 | I369 P373 | I369-Q371 HydrophobicContact CG2-CB 3.85Å; Q371-P373 WeakPolarHBondContact O-CD 3.44Å |
| 372 | W | 32.3 | Very low | 32.7 | Very low | 234 Ų | 234 | 159.8 Ų | 159.8 | 89% | 0.886 | 81% | 0.81 | S | S | * | * | | | trans | -64.6 | 121.2 | 167.6 | -75.1 | 78.9 | 0 | 0 | 0 | 107.9 | Q370 L374 | Q370-W372 PolarHBondContact O-N 3.47Å; W372-L374 PolarHBondContact O-N 2.84Å |
| 373 | P | 32.8 | Very low | 33.2 | Very low | 99 Ų | 99 | 158.8 Ų | 158.8 | 64% | 0.643 | 81% | 0.813 | S | S | * | * | | | trans | -67.8 | 123.5 | 172.6 | 26.6 | -28.9 | 0 | 0 | 0 | 108.1 | Q371 N375 | Q371-P373 WeakPolarHBondContact O-CD 3.44Å; P373-N375 PolarHBondContact O-N 3.37Å |
| 374 | L | 30.4 | Very low | 34.4 | Very low | 157 Ų | 157 | 160.6 Ų | 160.6 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | | | trans | -65.1 | 77.9 | 167.8 | -163.7 | 94.1 | 0 | 0 | 0 | 108.3 | W372 V376 | W372-L374 PolarHBondContact O-N 2.84Å; L374-V376 VanDerWaalsContact C-N 3.33Å; L374-V376 HydrophobicContact CD2-CG2 3.86Å; L374-V376 HydrophobicContact CG-CG2 4.14Å; L374-V376 PolarHBondContact O-N 2.89Å |
| 375 | N | 32.7 | Very low | 35.8 | Very low | 155 Ų | 155 | 160.5 Ų | 160.5 | 83% | 0.829 | 81% | 0.813 | S | S | * | * | | | trans | -78.5 | 89.5 | 172.1 | -106.6 | 8.1 | 0 | 0 | 0 | 108.9 | P373 G377 | P373-N375 PolarHBondContact O-N 3.37Å; N375-G377 PolarHBondContact O-N 3.49Å |
| 376 | V | 31.4 | Very low | 37.7 | Very low | 126 Ų | 126 | 164.4 Ų | 164.4 | 76% | 0.764 | 81% | 0.806 | S | S | * | * | | | trans | -71.1 | 111.2 | 163.1 | -175 | 0 | 0 | 0 | 0 | 107.3 | L374 | L374-V376 VanDerWaalsContact C-N 3.33Å; L374-V376 HydrophobicContact CD2-CG2 3.86Å; L374-V376 HydrophobicContact CG-CG2 4.14Å; L374-V376 PolarHBondContact O-N 2.89Å |
| 377 | G | 27 | Very low | 39.7 | Very low | 67 Ų | 67 | 158.3 Ų | 158.3 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | | | trans | 99.7 | 93.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | N375 | N375-G377 PolarHBondContact O-N 3.49Š|
| 378 | E | 32.5 | Very low | 41.7 | Very low | 187 Ų | 187 | 153 Ų | 153 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | | | | -166.6 | 140.2 | 126.9 | -116.4 | 175.2 | 168.3 | 0 | 0 | 109.5 | H380 | E378-H380 PolarHBondContact O-N 2.91Š|
| 379 | K | 30 | Very low | 43.6 | Very low | 213 Ų | 213 | 147 Ų | 147 | 93% | 0.926 | 76% | 0.76 | S | S | * | * | | | trans | -63.3 | 104.2 | 179.6 | -67 | -178.6 | 175.8 | -178.2 | 0 | 109.5 | | |
| 380 | H | 36.2 | Very low | 45.6 | Very low | 182 Ų | 182 | 145 Ų | 145 | 84% | 0.843 | 75% | 0.748 | S | S | * | * | | | trans | -105.1 | 97.6 | 160.9 | -102.1 | -69.9 | 0 | 0 | 0 | 109.5 | E378 G382 | E378-H380 PolarHBondContact O-N 2.91Å; H380-G382 PolarHBondContact O-N 3.31Å |
| 381 | E | 32.5 | Very low | 47.9 | Very low | 193 Ų | 193 | 141.2 Ų | 141.2 | 90% | 0.902 | 73% | 0.732 | S | S | * | * | | | trans | -57.7 | 106.9 | 159.5 | -167.2 | 153.5 | -171.3 | 0 | 0 | 107.8 | | |
| 382 | G | 38.7 | Very low | 50.6 | Low | 54 Ų | 54 | 135.7 Ų | 135.7 | 56% | 0.557 | 72% | 0.716 | S | S | * | * | | | trans | -147.3 | 108.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | H380 K384 | H380-G382 PolarHBondContact O-N 3.31Å; G382-K384 VanDerWaalsContact C-N 3.27Å; G382-K384 PolarHBondContact O-N 3.19Å |
| 383 | D | 42.1 | Very low | 53.1 | Low | 164 Ų | 164 | 129.4 Ų | 129.4 | 88% | 0.877 | 70% | 0.703 | S | S | * | * | | | trans | -54.9 | 81.1 | -178.5 | -70.4 | -41.7 | 0 | 0 | 0 | 112.3 | K385 | D383-K385 PolarHBondContact O-N 3.43Å; D383-K385 VanDerWaalsContact O-N 3.13Å |
| 384 | K | 59.1 | Low | 55.6 | Low | 193 Ų | 193 | 127.9 Ų | 127.9 | 84% | 0.839 | 69% | 0.69 | S | S | * | * | | | trans | -76.9 | 97.4 | 164.1 | -72.2 | -178.9 | -178.6 | 178.4 | 0 | 106.5 | G382 R386 | G382-K384 VanDerWaalsContact C-N 3.27Å; G382-K384 PolarHBondContact O-N 3.19Å; K384-R386 VanDerWaalsContact C-N 3.26Å; K384-R386 PolarHBondContact O-N 3.4Å |
| 385 | K | 61.4 | Low | 58.1 | Low | 205 Ų | 205 | 125.7 Ų | 125.7 | 89% | 0.891 | 68% | 0.675 | S | S | * | * | | | trans | -54.8 | 92 | 167.6 | -67.4 | -171.5 | 178 | -176 | 0 | 108.7 | D383 | D383-K385 PolarHBondContact O-N 3.43Å; D383-K385 VanDerWaalsContact O-N 3.13Å |
| 386 | R | 72.4 | Confident | 60.8 | Low | 149 Ų | 149 | 124.2 Ų | 124.2 | 56% | 0.562 | 66% | 0.663 | S | S | * | * | | | trans | -62.8 | 142 | 170.5 | -72.9 | -173.1 | 179.6 | 172.9 | 4.4 | 108.6 | K384 E390 L391 D394 | K384-R386 VanDerWaalsContact C-N 3.26Å; K384-R386 PolarHBondContact O-N 3.4Å; R386-E390 WeakPolarHBondContact CA-OE2 3.49Å; R386-E390 HydrophobicContact CB-CB 4.27Å; R386-L391 HydrophobicContact CB-CG 4.18Å; R386-D394 IonicContact CZ-OD2 3.75Å; R386-D394 IonicContact NH1-OD2 2.72Å; R386-D394 PolarHBondContact NH1-OD2 2.83Å |
| 387 | S | 76.1 | Confident | 63.7 | Low | 70 Ų | 70 | 124.6 Ų | 124.6 | 49% | 0.49 | 65% | 0.654 | S | S | . | * | | | trans | -62.8 | 148.5 | 174.2 | 179.7 | 0 | 0 | 0 | 0 | 109.6 | A389 E390 L391 | S387-A389 PolarHBondContact O-N 3.14Å; S387-A389 VanDerWaalsContact O-N 3.07Å; S387-E390 PolarHBondContact N-OE2 2.78Å; S387-E390 WeakPolarHBondContact O-CB 3.47Å; S387-E390 PolarHBondContact O-N 3.04Å; S387-L391 PolarHBondContact O-N 2.94Å; S387-L391 VanDerWaalsContact O-N 3.08Å |
| 388 | A | 74.6 | Confident | 66.5 | Low | 80 Ų | 80 | 126.7 Ų | 126.7 | 66% | 0.661 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -54.4 | -29.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A392 | A388-A392 WeakPolarHBondContact O-CB 3.33Å; A388-A392 PolarHBondContact O-N 3.35Å |
| 389 | A | 78.5 | Confident | 69.1 | Low | 63 Ų | 63 | 124 Ų | 124 | 52% | 0.521 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -67 | -41.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S387 A392 V393 | S387-A389 PolarHBondContact O-N 3.14Å; S387-A389 VanDerWaalsContact O-N 3.07Å; A389-A392 PolarHBondContact O-N 3.38Å; A389-V393 VanDerWaalsContact O-CG2 3.32Å; A389-V393 WeakPolarHBondContact O-CG2 3.32Å; A389-V393 PolarHBondContact O-N 2.82Å |
| 390 | E | 74.7 | Confident | 71.8 | Confident | 107 Ų | 107 | 116.6 Ų | 116.6 | 50% | 0.5 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -67.3 | -42.5 | 177.1 | -69.4 | 178.1 | 152.5 | 0 | 0 | 110.9 | R386 S387 A392 V393 D394 | R386-E390 WeakPolarHBondContact CA-OE2 3.49Å; R386-E390 HydrophobicContact CB-CB 4.27Å; S387-E390 PolarHBondContact N-OE2 2.78Å; S387-E390 WeakPolarHBondContact O-CB 3.47Å; S387-E390 PolarHBondContact O-N 3.04Å; E390-A392 VanDerWaalsContact C-N 3.33Å; E390-A392 PolarHBondContact O-N 2.86Å; E390-V393 PolarHBondContact O-N 2.91Å; E390-D394 WeakPolarHBondContact O-CB 3.45Å; E390-D394 PolarHBondContact O-N 3.03Å |
| 391 | L | 82.7 | Confident | 74.1 | Confident | 98 Ų | 98 | 110.4 Ų | 110.4 | 51% | 0.513 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -61.5 | -39.7 | 174.6 | -77.9 | 166.6 | 0 | 0 | 0 | 112.3 | R386 S387 D394 E395 | R386-L391 HydrophobicContact CB-CG 4.18Å; S387-L391 PolarHBondContact O-N 2.94Å; S387-L391 VanDerWaalsContact O-N 3.08Å; L391-D394 PolarHBondContact O-N 3.39Å; L391-E395 WeakPolarHBondContact O-CB 3.32Å; L391-E395 PolarHBondContact O-N 3.27Å |
| 392 | A | 84.5 | Confident | 76.3 | Confident | 54 Ų | 54 | 104 Ų | 104 | 45% | 0.446 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.8 | -37.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A388 A389 E390 H396 | A388-A392 WeakPolarHBondContact O-CB 3.33Å; A388-A392 PolarHBondContact O-N 3.35Å; A389-A392 PolarHBondContact O-N 3.38Å; E390-A392 VanDerWaalsContact C-N 3.33Å; E390-A392 PolarHBondContact O-N 2.86Å; A392-H396 VanDerWaalsContact O-CB 3.31Å; A392-H396 WeakPolarHBondContact O-CB 3.38Å; A392-H396 PolarHBondContact O-N 3.48Å |
| 393 | V | 85.2 | Confident | 78.3 | Confident | 101 Ų | 101 | 104 Ų | 104 | 61% | 0.612 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.6 | -44.2 | 175.1 | 172 | 0 | 0 | 0 | 0 | 110.6 | A389 E390 H396 F397 | A389-V393 VanDerWaalsContact O-CG2 3.32Å; A389-V393 WeakPolarHBondContact O-CG2 3.32Å; A389-V393 PolarHBondContact O-N 2.82Å; E390-V393 PolarHBondContact O-N 2.91Å; V393-H396 PolarHBondContact O-N 3Å; V393-F397 WeakPolarHBondContact O-CB 3.35Å; V393-F397 PolarHBondContact O-N 3.34Å |
| 394 | D | 84.6 | Confident | 79.8 | Confident | 68 Ų | 68 | 103.6 Ų | 103.6 | 36% | 0.364 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 176.6 | -75.3 | -15 | 0 | 0 | 0 | 111.3 | R386 E390 L391 F397 E398 | R386-D394 IonicContact CZ-OD2 3.75Å; R386-D394 IonicContact NH1-OD2 2.72Å; R386-D394 PolarHBondContact NH1-OD2 2.83Å; E390-D394 WeakPolarHBondContact O-CB 3.45Å; E390-D394 PolarHBondContact O-N 3.03Å; L391-D394 PolarHBondContact O-N 3.39Å; D394-F397 PolarHBondContact O-N 3.13Å; D394-E398 PolarHBondContact O-N 3.13Å |
| 395 | E | 84.4 | Confident | 80.5 | Confident | 111 Ų | 111 | 102.7 Ų | 102.7 | 52% | 0.519 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 176.7 | -169.6 | -170.2 | 157.2 | 0 | 0 | 111.9 | L391 F397 E398 K399 | L391-E395 WeakPolarHBondContact O-CB 3.32Å; L391-E395 PolarHBondContact O-N 3.27Å; E395-F397 VanDerWaalsContact C-N 3.33Å; E395-E398 PolarHBondContact O-N 2.78Å; E395-K399 HydrophobicContact CG-CD 4.31Å; E395-K399 WeakPolarHBondContact O-CB 3.45Å; E395-K399 WeakPolarHBondContact O-CG 3.41Å; E395-K399 PolarHBondContact O-N 2.97Å; E395-K399 VanDerWaalsContact OE1-CE 3.3Å; E395-K399 WeakPolarHBondContact OE1-CE 3.35Å; E395-K399 IonicContact OE1-NZ 3.79Å; E395-K399 PolarHBondContact OE1-NZ 2.93Å |
| 396 | H | 89 | Confident | 80.8 | Confident | 124 Ų | 124 | 95.8 Ų | 95.8 | 57% | 0.574 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.5 | -38.8 | 177.1 | -175.9 | -85.7 | 0 | 0 | 0 | 111.7 | A392 V393 S400 | A392-H396 VanDerWaalsContact O-CB 3.31Å; A392-H396 WeakPolarHBondContact O-CB 3.38Å; A392-H396 PolarHBondContact O-N 3.48Å; V393-H396 PolarHBondContact O-N 3Å; H396-S400 WeakPolarHBondContact O-CB 3.31Å; H396-S400 PolarHBondContact O-N 3.35Å; H396-S400 PolarHBondContact O-OG 3.48Å |
| 397 | F | 91.3 | Very high | 80.3 | Confident | 133 Ų | 133 | 92.2 Ų | 92.2 | 58% | 0.583 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.2 | -47.5 | 176 | -174.7 | -105.3 | 0 | 0 | 0 | 111.1 | V393 D394 E395 S400 L401 | V393-F397 WeakPolarHBondContact O-CB 3.35Å; V393-F397 PolarHBondContact O-N 3.34Å; D394-F397 PolarHBondContact O-N 3.13Å; E395-F397 VanDerWaalsContact C-N 3.33Å; F397-S400 WeakPolarHBondContact O-CB 3.29Å; F397-S400 PolarHBondContact O-N 3.4Å; F397-L401 HydrophobicContact CD1-CD1 3.82Å; F397-L401 HydrophobicContact CE1-CD1 3.22Å; F397-L401 HydrophobicContact CE2-CD1 4.24Å; F397-L401 HydrophobicContact CZ-CD1 3.47Å; F397-L401 VanDerWaalsContact CZ-CD1 3.47Å; F397-L401 PolarHBondContact O-N 3.19Å |
| 398 | E | 85.5 | Confident | 79.2 | Confident | 112 Ų | 112 | 91.6 Ų | 91.6 | 52% | 0.523 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -70.8 | -34.9 | 179.5 | -86.7 | -64 | -140.6 | 0 | 0 | 114.3 | D394 E395 S400 L401 A402 | D394-E398 PolarHBondContact O-N 3.13Å; E395-E398 PolarHBondContact O-N 2.78Å; E398-S400 VanDerWaalsContact C-N 3.26Å; E398-S400 PolarHBondContact O-N 2.72Å; E398-L401 PolarHBondContact O-N 3.47Å; E398-L401 VanDerWaalsContact OE2-CB 3.29Å; E398-L401 WeakPolarHBondContact OE2-CB 3.39Å; E398-A402 WeakPolarHBondContact O-CB 3.45Å; E398-A402 PolarHBondContact O-N 2.91Å |
| 399 | K | 87.3 | Confident | 78.1 | Confident | 130 Ų | 130 | 91.2 Ų | 91.2 | 57% | 0.565 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60 | -39.3 | 170.2 | -80.7 | 175.3 | 170.7 | 169.7 | 0 | 111.6 | E395 A403 | E395-K399 HydrophobicContact CG-CD 4.31Å; E395-K399 WeakPolarHBondContact O-CB 3.45Å; E395-K399 WeakPolarHBondContact O-CG 3.41Å; E395-K399 PolarHBondContact O-N 2.97Å; E395-K399 VanDerWaalsContact OE1-CE 3.3Å; E395-K399 WeakPolarHBondContact OE1-CE 3.35Å; E395-K399 IonicContact OE1-NZ 3.79Å; E395-K399 PolarHBondContact OE1-NZ 2.93Å; K399-A403 WeakPolarHBondContact O-CB 3.44Å; K399-A403 PolarHBondContact O-N 3.2Å |
| 400 | S | 87 | Confident | 76.8 | Confident | 58 Ų | 58 | 94.9 Ų | 94.9 | 41% | 0.406 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.7 | -39.7 | 177.9 | -60 | 0 | 0 | 0 | 0 | 112.1 | H396 F397 E398 A403 F404 | H396-S400 WeakPolarHBondContact O-CB 3.31Å; H396-S400 PolarHBondContact O-N 3.35Å; H396-S400 PolarHBondContact O-OG 3.48Å; F397-S400 WeakPolarHBondContact O-CB 3.29Å; F397-S400 PolarHBondContact O-N 3.4Å; E398-S400 VanDerWaalsContact C-N 3.26Å; E398-S400 PolarHBondContact O-N 2.72Å; S400-A403 PolarHBondContact O-N 3.08Å; S400-F404 WeakPolarHBondContact O-CB 3.33Å; S400-F404 PolarHBondContact O-N 3.07Å |
| 401 | L | 84 | Confident | 75.6 | Confident | 51 Ų | 51 | 98.4 Ų | 98.4 | 27% | 0.267 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.7 | -43.2 | 176.8 | -116.3 | 143.6 | 0 | 0 | 0 | 112.1 | F397 E398 F404 R405 | F397-L401 HydrophobicContact CD1-CD1 3.82Å; F397-L401 HydrophobicContact CE1-CD1 3.22Å; F397-L401 HydrophobicContact CE2-CD1 4.24Å; F397-L401 HydrophobicContact CZ-CD1 3.47Å; F397-L401 VanDerWaalsContact CZ-CD1 3.47Å; F397-L401 PolarHBondContact O-N 3.19Å; E398-L401 PolarHBondContact O-N 3.47Å; E398-L401 VanDerWaalsContact OE2-CB 3.29Å; E398-L401 WeakPolarHBondContact OE2-CB 3.39Å; L401-F404 PolarHBondContact O-N 2.91Å; L401-R405 WeakPolarHBondContact O-CG 3.39Å; L401-R405 PolarHBondContact O-N 3.3Å |
| 402 | A | 79.8 | Confident | 73.8 | Confident | 59 Ų | 59 | 101.3 Ų | 101.3 | 49% | 0.488 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | E398 F404 R405 A406 | E398-A402 WeakPolarHBondContact O-CB 3.45Å; E398-A402 PolarHBondContact O-N 2.91Å; A402-F404 PolarHBondContact O-N 2.86Å; A402-R405 PolarHBondContact O-N 3.34Å; A402-A406 WeakPolarHBondContact O-CB 3.32Å; A402-A406 PolarHBondContact O-N 3.32Å |
| 403 | A | 79.3 | Confident | 71.9 | Confident | 53 Ų | 53 | 104.1 Ų | 104.1 | 44% | 0.438 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.6 | -38.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K399 S400 A406 S407 | K399-A403 WeakPolarHBondContact O-CB 3.44Å; K399-A403 PolarHBondContact O-N 3.2Å; S400-A403 PolarHBondContact O-N 3.08Å; A403-A406 PolarHBondContact O-N 2.89Å; A403-S407 WeakPolarHBondContact O-CB 3.3Å; A403-S407 PolarHBondContact O-N 2.94Å; A403-S407 PolarHBondContact O-OG 3.44Å |
| 404 | F | 74.2 | Confident | 69.8 | Low | 157 Ų | 157 | 105.2 Ų | 105.2 | 69% | 0.689 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.1 | -45 | 175 | -175.5 | -98.3 | 0 | 0 | 0 | 111.6 | S400 L401 A402 A406 S407 A408 | S400-F404 WeakPolarHBondContact O-CB 3.33Å; S400-F404 PolarHBondContact O-N 3.07Å; L401-F404 PolarHBondContact O-N 2.91Å; A402-F404 PolarHBondContact O-N 2.86Å; F404-A406 PolarHBondContact O-N 3.37Å; F404-S407 PolarHBondContact O-N 3.04Å; F404-A408 PolarHBondContact O-N 2.79Å |
| 405 | R | 74.5 | Confident | 67.5 | Low | 173 Ų | 173 | 112.4 Ų | 112.4 | 65% | 0.653 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.9 | -42.1 | 176 | -70.5 | 176.7 | -176.2 | -178.4 | 4.4 | 112.2 | L401 A402 S407 S409 | L401-R405 WeakPolarHBondContact O-CG 3.39Å; L401-R405 PolarHBondContact O-N 3.3Å; A402-R405 PolarHBondContact O-N 3.34Å; R405-S407 VanDerWaalsContact C-N 3.33Å; R405-S407 PolarHBondContact O-N 2.97Å; R405-S409 PolarHBondContact O-N 2.98Å |
| 406 | A | 67.5 | Low | 65.3 | Low | 60 Ų | 60 | 113.6 Ų | 113.6 | 50% | 0.496 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68.2 | -30.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A402 A403 F404 S409 | A402-A406 WeakPolarHBondContact O-CB 3.32Å; A402-A406 PolarHBondContact O-N 3.32Å; A403-A406 PolarHBondContact O-N 2.89Å; F404-A406 PolarHBondContact O-N 3.37Å; A406-S409 PolarHBondContact O-OG 3.19Å; A406-S409 VanDerWaalsContact O-OG 3.14Å |
| 407 | S | 62 | Low | 62.5 | Low | 75 Ų | 75 | 114.4 Ų | 114.4 | 52% | 0.524 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -78.7 | -31.6 | 178.4 | -60.2 | 0 | 0 | 0 | 0 | 112.7 | A403 F404 R405 | A403-S407 WeakPolarHBondContact O-CB 3.3Å; A403-S407 PolarHBondContact O-N 2.94Å; A403-S407 PolarHBondContact O-OG 3.44Å; F404-S407 PolarHBondContact O-N 3.04Å; R405-S407 VanDerWaalsContact C-N 3.33Å; R405-S407 PolarHBondContact O-N 2.97Å |
| 408 | A | 53 | Low | 59.6 | Low | 56 Ų | 56 | 114.1 Ų | 114.1 | 46% | 0.463 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -69.7 | -36.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F404 K410 | F404-A408 PolarHBondContact O-N 2.79Å; A408-K410 VanDerWaalsContact C-N 3.33Å; A408-K410 PolarHBondContact O-N 3.04Å |
| 409 | S | 51.3 | Low | 57 | Low | 72 Ų | 72 | 117.4 Ų | 117.4 | 50% | 0.503 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -72.2 | -25.3 | 177.8 | 69.5 | 0 | 0 | 0 | 0 | 113.4 | R405 A406 | R405-S409 PolarHBondContact O-N 2.98Å; A406-S409 PolarHBondContact O-OG 3.19Å; A406-S409 VanDerWaalsContact O-OG 3.14Å |
| 410 | K | 50.6 | Low | 54.5 | Low | 141 Ų | 141 | 119.1 Ų | 119.1 | 61% | 0.613 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -74.5 | -26.2 | -179.2 | -161 | 164.8 | -177.1 | 173.9 | 0 | 113.7 | A408 | A408-K410 VanDerWaalsContact C-N 3.33Å; A408-K410 PolarHBondContact O-N 3.04Å |
| 411 | K | 49.2 | Very low | 51.9 | Low | 181 Ų | 181 | 125.3 Ų | 125.3 | 79% | 0.787 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -78.9 | -13.2 | 179.5 | -79.6 | -174.1 | 176.8 | 179.9 | 0 | 114.9 | | |
| 412 | Q | 46.1 | Very low | 49.8 | Very low | 159 Ų | 159 | 130.8 Ų | 130.8 | 74% | 0.743 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -89.3 | -22.9 | 173.1 | -94.3 | -175.7 | -44.5 | 0 | 0 | 113.5 | | |
| 413 | N | 43.4 | Very low | 47.5 | Very low | 112 Ų | 112 | 138 Ų | 138 | 60% | 0.599 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -91 | -19.2 | -178.2 | -79.1 | -27.1 | 0 | 0 | 0 | 114.7 | R415 | N413-R415 PolarHBondContact O-N 2.73Å |
| 414 | D | 41 | Very low | 45.3 | Very low | 125 Ų | 125 | 140.9 Ų | 140.9 | 67% | 0.668 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | 1.7 | 178.3 | -73.5 | -17.4 | 0 | 0 | 0 | 113.4 | | |
| 415 | R | 37.3 | Very low | 43.2 | Very low | 219 Ų | 219 | 142.6 Ų | 142.6 | 83% | 0.826 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.5 | 2.9 | -178.2 | -133.3 | 179.5 | -172.4 | -169.5 | 2.1 | 114.5 | N413 | N413-R415 PolarHBondContact O-N 2.73Š|
| 416 | I | 37.5 | Very low | 41 | Very low | 136 Ų | 136 | 139 Ų | 139 | 70% | 0.697 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -123.1 | 28.8 | -174.4 | -43.3 | 179.6 | 0 | 0 | 0 | 111.6 | | |
| 417 | I | 31.9 | Very low | 39 | Very low | 141 Ų | 141 | 141.4 Ų | 141.4 | 72% | 0.723 | 75% | 0.746 | S | S | * | * | | | trans | -134.8 | 68.2 | 179.1 | -45.7 | 176.7 | 0 | 0 | 0 | 109.8 | | |
| 418 | C | 29.9 | Very low | 37.5 | Very low | 127 Ų | 127 | 144.8 Ų | 144.8 | 86% | 0.858 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -155.9 | 73.5 | 166.8 | -87.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 419 | E | 30.4 | Very low | 36.3 | Very low | 181 Ų | 181 | 147.8 Ų | 147.8 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | | | trans | 162.9 | 102.1 | 151.4 | -95.5 | 174.4 | -171 | 0 | 0 | 107.2 | | |
| 420 | D | 34.4 | Very low | 35.3 | Very low | 166 Ų | 166 | 153.3 Ų | 153.3 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | | | trans | -167.1 | 75.7 | 145.9 | -100 | -17.7 | 0 | 0 | 0 | 109 | L422 | D420-L422 VanDerWaalsContact C-N 3.31Å; D420-L422 PolarHBondContact O-N 3.44Å |
| 421 | H | 33.3 | Very low | 34.4 | Very low | 187 Ų | 187 | 152.2 Ų | 152.2 | 87% | 0.866 | 80% | 0.797 | S | S | * | * | | | trans | -79.4 | 75.2 | 162.8 | -74.2 | -75.1 | 0 | 0 | 0 | 109.5 | | |
| 422 | L | 39 | Very low | 33.4 | Very low | 166 Ų | 166 | 147.5 Ų | 147.5 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | | | trans | -154.3 | 92.2 | 159.8 | -97.1 | 169.1 | 0 | 0 | 0 | 110.1 | D420 S424 | D420-L422 VanDerWaalsContact C-N 3.31Å; D420-L422 PolarHBondContact O-N 3.44Å; L422-S424 PolarHBondContact O-N 2.98Å |
| 423 | K | 32.9 | Very low | 32.7 | Very low | 212 Ų | 212 | 146.3 Ų | 146.3 | 92% | 0.922 | 79% | 0.791 | S | S | * | * | | | trans | -60.6 | 122.6 | 170.6 | -79.9 | 168.2 | 168.7 | 177 | 0 | 111.1 | | |
| 424 | S | 32.6 | Very low | 32.3 | Very low | 113 Ų | 113 | 148.3 Ų | 148.3 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | | | trans | -162.6 | 89.1 | 136.8 | -169.1 | 0 | 0 | 0 | 0 | 112.1 | L422 | L422-S424 PolarHBondContact O-N 2.98Š|
| 425 | Q | 28.9 | Very low | 31.8 | Very low | 192 Ų | 192 | 149 Ų | 149 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | | | trans | 3.7 | 109.2 | 134.6 | -168.7 | 177.3 | 14.3 | 0 | 0 | 117.3 | | |
| 426 | A | 29.8 | Very low | 31.6 | Very low | 97 Ų | 97 | 146.4 Ų | 146.4 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | | | trans | -164.9 | 116.4 | 138.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 427 | S | 24.7 | Very low | 31.2 | Very low | 112 Ų | 112 | 146.6 Ų | 146.6 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | | | trans | -69.3 | 172.8 | 170.6 | -179.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 428 | I | 30.7 | Very low | 31.1 | Very low | 146 Ų | 146 | 147.3 Ų | 147.3 | 75% | 0.749 | 81% | 0.808 | S | S | * | * | | | trans | 111.3 | 90 | 154.5 | -55.3 | 170.4 | 0 | 0 | 0 | 115.5 | | |
| 429 | T | 28.3 | Very low | 31 | Very low | 118 Ų | 118 | 146.3 Ų | 146.3 | 72% | 0.724 | 80% | 0.803 | S | S | * | * | | | | 76.7 | 129 | 119.8 | -29.4 | 0 | 0 | 0 | 0 | 121.2 | | |
| 430 | H | 29.2 | Very low | 30.9 | Very low | 188 Ų | 188 | 145.1 Ų | 145.1 | 87% | 0.87 | 80% | 0.801 | S | S | * | * | | | trans | -38.1 | 133.4 | 165.9 | -56.7 | -83.8 | 0 | 0 | 0 | 115.3 | | |
| 431 | S | 31.4 | Very low | 30.5 | Very low | 118 Ų | 118 | 143.2 Ų | 143.2 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | | | trans | -151.1 | 131 | 138.6 | 87.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 432 | A | 28.5 | Very low | 30.4 | Very low | 83 Ų | 83 | 141.4 Ų | 141.4 | 69% | 0.686 | 79% | 0.791 | S | S | * | * | | | trans | -64.3 | 139.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 433 | N | 31.1 | Very low | 30.1 | Very low | 134 Ų | 134 | 142.2 Ų | 142.2 | 72% | 0.717 | 79% | 0.788 | S | S | * | * | | | | -179.2 | 121.6 | 128.9 | -94.3 | -47.5 | 0 | 0 | 0 | 111.5 | | |
| 434 | Q | 36.7 | Very low | 29.9 | Very low | 153 Ų | 153 | 136.2 Ų | 136.2 | 72% | 0.715 | 77% | 0.766 | S | S | * | * | | | trans | 69.3 | 114.1 | 132.2 | -60.6 | 178 | 33.3 | 0 | 0 | 119.8 | | |
| 435 | N | 29.6 | Very low | 29.9 | Very low | 141 Ų | 141 | 136.1 Ų | 136.1 | 75% | 0.754 | 77% | 0.765 | S | S | * | * | | | trans | 58.6 | 109.3 | 135.7 | -64 | -31.9 | 0 | 0 | 0 | 117.5 | | |
| 436 | L | 33.2 | Very low | 29.9 | Very low | 164 Ų | 164 | 134.8 Ų | 134.8 | 86% | 0.859 | 76% | 0.764 | S | S | * | * | | | | -166.5 | 89 | 125.4 | -94.9 | 165.4 | 0 | 0 | 0 | 109.2 | | |
| 437 | I | 29.3 | Very low | 30.1 | Very low | 139 Ų | 139 | 135.8 Ų | 135.8 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | | | trans | 38.8 | 103.8 | 131.1 | -54.3 | 169.8 | 0 | 0 | 0 | 116.9 | | |
| 438 | N | 30.1 | Very low | 30.3 | Very low | 157 Ų | 157 | 141.7 Ų | 141.7 | 84% | 0.84 | 77% | 0.767 | S | S | * | * | | | | -175.3 | 104.7 | 116.1 | -96.2 | -23.6 | 0 | 0 | 0 | 110.9 | | |
| 439 | S | 27.2 | Very low | 30.5 | Very low | 106 Ų | 106 | 142.1 Ų | 142.1 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | | | trans | -82.9 | 136.4 | 165.8 | 54.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 440 | L | 28.8 | Very low | 30.7 | Very low | 156 Ų | 156 | 144.5 Ų | 144.5 | 82% | 0.817 | 77% | 0.773 | S | S | * | * | | | trans | -158.2 | 101.7 | 130.8 | -154.8 | 66.3 | 0 | 0 | 0 | 111.6 | | |
| 441 | T | 26.1 | Very low | 31 | Very low | 126 Ų | 126 | 143.1 Ų | 143.1 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | | | trans | -96.7 | 126.2 | 157.5 | 37.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 442 | L | 30.2 | Very low | 31.1 | Very low | 148 Ų | 148 | 142.2 Ų | 142.2 | 78% | 0.775 | 75% | 0.753 | S | S | * | * | | | trans | -152.3 | 104.6 | 156.5 | -76.8 | 175.7 | 0 | 0 | 0 | 107.4 | | |
| 443 | K | 33.1 | Very low | 31.2 | Very low | 184 Ų | 184 | 146.5 Ų | 146.5 | 80% | 0.8 | 76% | 0.756 | S | S | * | * | | | | 58.9 | 109.4 | 79.9 | -80.4 | -152.2 | 170.8 | -171.5 | 0 | 114.4 | | |
| 444 | D | 27.6 | Very low | 31.3 | Very low | 85 Ų | 85 | 145.3 Ų | 145.3 | 46% | 0.455 | 76% | 0.758 | S | S | . | * | | | trans | -55.3 | 134.5 | 163.4 | -52.8 | -76 | 0 | 0 | 0 | 112.9 | H912 | D444-H912 IonicContact OD1-CD2 2.62Å; D444-H912 PolarHBondContact OD1-CD2 3.32Å; D444-H912 IonicContact OD1-CG 2.9Å; D444-H912 IonicContact OD2-CD2 2.98Å; D444-H912 PolarHBondContact OD2-CD2 3.49Å; D444-H912 IonicContact OD2-CE1 3.97Å; D444-H912 IonicContact OD2-CG 3.47Å; D444-H912 IonicContact OD2-NE2 3.1Å; D444-H912 PolarHBondContact OD2-NE2 2.92Å; D444-H912 VanDerWaalsContact OD2-NE2 3.1Å |
| 445 | S | 33 | Very low | 31.1 | Very low | 111 Ų | 111 | 145 Ų | 145 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | | | trans | -163 | 100.4 | 154.7 | -58.7 | 0 | 0 | 0 | 0 | 109.7 | T447 | S445-T447 PolarHBondContact O-N 3.04Š|
| 446 | D | 29.1 | Very low | 31.3 | Very low | 164 Ų | 164 | 145.1 Ų | 145.1 | 88% | 0.877 | 76% | 0.76 | S | S | * | * | | | trans | -68.9 | 118.7 | 158.1 | -85 | -39.8 | 0 | 0 | 0 | 109.4 | | |
| 447 | T | 34.3 | Very low | 31.3 | Very low | 119 Ų | 119 | 145 Ų | 145 | 73% | 0.73 | 76% | 0.755 | S | S | * | * | | | trans | -158.1 | 94.8 | 148 | -18 | 0 | 0 | 0 | 0 | 109.8 | S445 L449 | S445-T447 PolarHBondContact O-N 3.04Å; T447-L449 PolarHBondContact O-N 3.37Å |
| 448 | Y | 27.9 | Very low | 31.3 | Very low | 235 Ų | 235 | 147.3 Ų | 147.3 | 92% | 0.922 | 76% | 0.756 | S | S | * | * | | | trans | -67.9 | 116.4 | 160.4 | -99.3 | -96.7 | 0 | 0 | 0 | 108.5 | | |
| 449 | L | 35.4 | Very low | 31.5 | Very low | 156 Ų | 156 | 147 Ų | 147 | 82% | 0.817 | 75% | 0.754 | S | S | * | * | | | trans | -138.8 | 122 | 163.1 | -124.8 | 147.2 | 0 | 0 | 0 | 109.1 | T447 | T447-L449 PolarHBondContact O-N 3.37Š|
| 450 | H | 33.3 | Very low | 31.7 | Very low | 168 Ų | 168 | 149.4 Ų | 149.4 | 78% | 0.778 | 75% | 0.751 | S | S | * | * | | | trans | -39.1 | 155.5 | 176.1 | -92.1 | -99.6 | 0 | 0 | 0 | 116.7 | | |
| 451 | H | 34.7 | Very low | 32 | Very low | 158 Ų | 158 | 150 Ų | 150 | 73% | 0.731 | 75% | 0.748 | S | S | * | * | | | trans | 120.1 | 136.5 | 149.8 | -79.1 | -71.1 | 0 | 0 | 0 | 112.2 | | |
| 452 | D | 33.7 | Very low | 32.4 | Very low | 99 Ų | 99 | 151.1 Ų | 151.1 | 53% | 0.529 | 74% | 0.744 | S | S | . | * | | | cis | -176.6 | 144.2 | -9.4 | -136.5 | -27.3 | 0 | 0 | 0 | 102.2 | | |
| 453 | K | 30.8 | Very low | 32.3 | Very low | 174 Ų | 174 | 152.2 Ų | 152.2 | 76% | 0.757 | 75% | 0.745 | S | S | * | * | | | trans | 37.7 | 114.7 | 149.3 | -65.3 | 157.4 | -172.6 | 140.3 | 0 | 119.7 | | |
| 454 | S | 33.2 | Very low | 32.3 | Very low | 109 Ų | 109 | 151.9 Ų | 151.9 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | | | | 176.5 | 112.7 | 113.1 | 54.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 455 | N | 31.5 | Very low | 32.4 | Very low | 146 Ų | 146 | 152.1 Ų | 152.1 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | | | | 67 | 109.5 | 98.4 | -111.7 | 0.1 | 0 | 0 | 0 | 111 | | |
| 456 | I | 35.1 | Very low | 32.4 | Very low | 143 Ų | 143 | 153.6 Ų | 153.6 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | | | | 172.3 | 137.6 | 81.4 | -87.6 | 143 | 0 | 0 | 0 | 110.7 | | |
| 457 | H | 33.2 | Very low | 32.5 | Very low | 162 Ų | 162 | 153 Ų | 153 | 75% | 0.75 | 75% | 0.745 | S | S | * | * | | | trans | 58.9 | 122 | 151.5 | -93.6 | 36.7 | 0 | 0 | 0 | 122.1 | | |
| 458 | Y | 28.4 | Very low | 32.4 | Very low | 187 Ų | 187 | 152.8 Ų | 152.8 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | | | | 75 | 115.8 | 59.3 | -94.8 | -80.4 | 0 | 0 | 0 | 117.6 | | |
| 459 | N | 35.3 | Very low | 32.4 | Very low | 151 Ų | 151 | 150.1 Ų | 150.1 | 81% | 0.807 | 74% | 0.74 | S | S | * | * | | | trans | 171.5 | 105.4 | 141.5 | -85.9 | -23 | 0 | 0 | 0 | 106.3 | | |
| 460 | K | 32 | Very low | 32.5 | Very low | 156 Ų | 156 | 147 Ų | 147 | 68% | 0.678 | 73% | 0.728 | S | S | * | * | | | cis | 62.8 | 93.1 | 44.3 | -150 | -178.8 | -170.8 | -175.3 | 0 | 115.5 | | |
| 461 | F | 34.4 | Very low | 32.4 | Very low | 170 Ų | 170 | 148.9 Ų | 148.9 | 75% | 0.746 | 73% | 0.734 | S | S | * | * | | | trans | -145.1 | 104 | 149 | -87.1 | -81.7 | 0 | 0 | 0 | 107.5 | | |
| 462 | Q | 33.9 | Very low | 32.2 | Very low | 149 Ų | 149 | 144.7 Ų | 144.7 | 70% | 0.696 | 73% | 0.734 | S | S | * | * | | | | 81.1 | 102.3 | 93.1 | -76.8 | -177.2 | 11.9 | 0 | 0 | 112.1 | | |
| 463 | H | 27.7 | Very low | 32.2 | Very low | 170 Ų | 170 | 147.7 Ų | 147.7 | 79% | 0.787 | 75% | 0.745 | S | S | * | * | | | | 76.8 | 115.2 | 79.6 | -87.7 | -78.6 | 0 | 0 | 0 | 114.2 | | |
| 464 | E | 34.1 | Very low | 32 | Very low | 178 Ų | 178 | 147.3 Ų | 147.3 | 83% | 0.832 | 75% | 0.746 | S | S | * | * | | | | 171.2 | 105.7 | 128.1 | -94.3 | 178.4 | 174.3 | 0 | 0 | 108.1 | | |
| 465 | S | 29.2 | Very low | 31.9 | Very low | 90 Ų | 90 | 152 Ų | 152 | 63% | 0.629 | 75% | 0.748 | S | S | * | * | | | | 59.1 | 113.4 | 95 | 86.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 466 | L | 32.7 | Very low | 31.8 | Very low | 141 Ų | 141 | 151.7 Ų | 151.7 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | | | | 175.4 | 148.9 | 81.2 | -78.2 | 159.4 | 0 | 0 | 0 | 102.4 | | |
| 467 | Q | 31.2 | Very low | 31.4 | Very low | 153 Ų | 153 | 150.8 Ų | 150.8 | 72% | 0.715 | 75% | 0.747 | S | S | * | * | | | cis | -174 | 144.7 | 24.1 | -131.8 | 165 | -3.3 | 0 | 0 | 106.4 | | |
| 468 | T | 33.1 | Very low | 31 | Very low | 114 Ų | 114 | 149.1 Ų | 149.1 | 70% | 0.699 | 74% | 0.744 | S | S | * | * | | | trans | 38.6 | 104.8 | 142.9 | 35 | 0 | 0 | 0 | 0 | 118 | | |
| 469 | E | 28 | Very low | 30.9 | Very low | 179 Ų | 179 | 145.3 Ų | 145.3 | 84% | 0.836 | 74% | 0.744 | S | S | * | * | | | | 94.4 | 147.6 | 71.4 | -100.6 | -119.3 | 133.6 | 0 | 0 | 112.9 | | |
| 470 | P | 37.7 | Very low | 30.6 | Very low | 89 Ų | 89 | 144.7 Ų | 144.7 | 58% | 0.578 | 74% | 0.739 | S | S | * | * | | | trans | -110.8 | -179.4 | -148 | 42.7 | -31.6 | 0 | 0 | 0 | 110.7 | | |
| 471 | K | 30.9 | Very low | 30.4 | Very low | 208 Ų | 208 | 144.2 Ų | 144.2 | 90% | 0.904 | 74% | 0.744 | S | S | * | * | | | trans | -178.4 | 112.7 | 152.5 | -103.3 | 152.5 | -177.2 | 179.7 | 0 | 106.2 | | |
| 472 | G | 30.8 | Very low | 30.1 | Very low | 70 Ų | 70 | 144.2 Ų | 144.2 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | | | | 95.6 | 125.2 | 89 | 0 | 0 | 0 | 0 | 0 | 105.8 | | |
| 473 | E | 32.7 | Very low | 29.6 | Very low | 163 Ų | 163 | 146.8 Ų | 146.8 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | | | cis | -156.9 | 125.7 | 43.5 | -75.2 | 161.8 | 171.7 | 0 | 0 | 107.3 | | |
| 474 | H | 27.9 | Very low | 29.5 | Very low | 166 Ų | 166 | 144.1 Ų | 144.1 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | | | | 48.5 | 114.3 | 100 | -91.6 | -89.6 | 0 | 0 | 0 | 115.2 | | |
| 475 | Y | 30.7 | Very low | 29.2 | Very low | 208 Ų | 208 | 143 Ų | 143 | 82% | 0.816 | 75% | 0.751 | S | S | * | * | | | trans | -173.6 | 84.1 | 130.5 | -64.3 | -55.8 | 0 | 0 | 0 | 107.9 | | |
| 476 | N | 29.9 | Very low | 29.2 | Very low | 139 Ų | 139 | 144.2 Ų | 144.2 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | | | | 68.4 | 91.5 | 103.6 | -156.2 | 6.5 | 0 | 0 | 0 | 115.3 | | |
| 477 | V | 25.5 | Very low | 28.9 | Very low | 123 Ų | 123 | 146.5 Ų | 146.5 | 75% | 0.745 | 76% | 0.761 | S | S | * | * | | | trans | -94.5 | 136.2 | 160.6 | -148 | 0 | 0 | 0 | 0 | 107.3 | | |
| 478 | N | 25.4 | Very low | 28.9 | Very low | 128 Ų | 128 | 144 Ų | 144 | 68% | 0.684 | 76% | 0.758 | S | S | * | * | | | trans | 83.7 | 142.2 | 170.5 | -57.5 | -27.2 | 0 | 0 | 0 | 117.7 | | |
| 479 | S | 26.2 | Very low | 28.7 | Very low | 106 Ų | 106 | 144.9 Ų | 144.9 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | | | trans | 82.5 | 130.8 | 157.7 | -28 | 0 | 0 | 0 | 0 | 110.9 | | |
| 480 | I | 28.2 | Very low | 29 | Very low | 138 Ų | 138 | 141.2 Ų | 141.2 | 71% | 0.708 | 76% | 0.757 | S | S | * | * | | | | -162.9 | 134.9 | 52.2 | -76.2 | 175 | 0 | 0 | 0 | 107.2 | Q482 | I480-Q482 PolarHBondContact O-N 3.31Š|
| 481 | L | 28.8 | Very low | 28.6 | Very low | 146 Ų | 146 | 144.2 Ų | 144.2 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | | | trans | -44.4 | 122.1 | 156.9 | -80.1 | 85.4 | 0 | 0 | 0 | 110.6 | Y483 | L481-Y483 HydrophobicContact CD2-CE2 4.42Š|
| 482 | Q | 26.8 | Very low | 28.8 | Very low | 171 Ų | 171 | 138.8 Ų | 138.8 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | | | trans | -145.7 | 92.9 | 154.1 | -104.4 | 165.8 | 21.2 | 0 | 0 | 106.5 | I480 | I480-Q482 PolarHBondContact O-N 3.31Š|
| 483 | Y | 24.4 | Very low | 28.8 | Very low | 202 Ų | 202 | 142.5 Ų | 142.5 | 79% | 0.792 | 76% | 0.758 | S | S | * | * | | | | 34.5 | 102.5 | 98.2 | -82 | -84.4 | 0 | 0 | 0 | 111.5 | L481 | L481-Y483 HydrophobicContact CD2-CE2 4.42Š|
| 484 | S | 26.2 | Very low | 28.7 | Very low | 114 Ų | 114 | 141.8 Ų | 141.8 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | | | | 168.1 | 123.9 | 120.3 | -70.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 485 | N | 27.2 | Very low | 28.5 | Very low | 155 Ų | 155 | 138.2 Ų | 138.2 | 83% | 0.829 | 76% | 0.758 | S | S | * | * | | | trans | -26.1 | 146 | 144.3 | -85.7 | -46 | 0 | 0 | 0 | 112.8 | | |
| 486 | P | 29.4 | Very low | 28.5 | Very low | 115 Ų | 115 | 134.4 Ų | 134.4 | 75% | 0.747 | 76% | 0.756 | S | S | * | * | | | | -136.1 | 150.4 | 51.9 | 22.4 | 1.9 | 0 | 0 | 0 | 113.3 | | |
| 487 | K | 26.4 | Very low | 28.3 | Very low | 190 Ų | 190 | 133.3 Ų | 133.3 | 83% | 0.826 | 75% | 0.754 | S | S | * | * | | | | 60.6 | 152.5 | 81.4 | -116.8 | -153 | 171 | 168.2 | 0 | 113.4 | | |
| 488 | P | 30.7 | Very low | 28.4 | Very low | 100 Ų | 100 | 133.4 Ų | 133.4 | 65% | 0.649 | 76% | 0.759 | S | S | * | * | | | | -125.1 | 144.3 | -112.4 | 32.9 | -14.1 | 0 | 0 | 0 | 111.5 | | |
| 489 | T | 29.8 | Very low | 28.5 | Very low | 132 Ų | 132 | 135.9 Ų | 135.9 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | | | trans | -152 | 113.4 | 164.3 | 46.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 490 | S | 33.2 | Very low | 28.6 | Very low | 103 Ų | 103 | 139 Ų | 139 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | | | trans | 47.6 | 131.3 | 132 | 65.5 | 0 | 0 | 0 | 0 | 117.4 | | |
| 491 | N | 30.7 | Very low | 28.6 | Very low | 151 Ų | 151 | 137.7 Ų | 137.7 | 81% | 0.807 | 77% | 0.773 | S | S | * | * | | | cis | -169.8 | 160 | 15.8 | -130.4 | -12.5 | 0 | 0 | 0 | 104.4 | | |
| 492 | P | 34.4 | Very low | 28.6 | Very low | 95 Ų | 95 | 137 Ų | 137 | 62% | 0.617 | 77% | 0.769 | S | S | * | * | | | trans | -74.1 | 160.2 | -170.8 | 36 | -34.6 | 0 | 0 | 0 | 109.8 | | |
| 493 | N | 30.7 | Very low | 28.6 | Very low | 147 Ų | 147 | 139.4 Ų | 139.4 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | | | trans | -177.4 | 126.9 | 134.9 | -95.9 | -28.3 | 0 | 0 | 0 | 112.4 | | |
| 494 | L | 29.9 | Very low | 28.8 | Very low | 148 Ų | 148 | 136.6 Ų | 136.6 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | | | trans | 67.2 | 101.1 | 158.9 | -69.4 | 90.8 | 0 | 0 | 0 | 116.2 | | |
| 495 | A | 24.5 | Very low | 28.8 | Very low | 91 Ų | 91 | 137.4 Ų | 137.4 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | | | | 70 | 149.1 | 75.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 496 | V | 30.4 | Very low | 28.9 | Very low | 129 Ų | 129 | 135.6 Ų | 135.6 | 78% | 0.782 | 78% | 0.778 | S | S | * | * | | | trans | 97.1 | 82.4 | -179.3 | -169.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 497 | T | 26.4 | Very low | 28.9 | Very low | 116 Ų | 116 | 135 Ų | 135 | 71% | 0.712 | 78% | 0.776 | S | S | * | * | | | | 55.6 | 111.5 | 86.9 | 65 | 0 | 0 | 0 | 0 | 114.4 | | |
| 498 | C | 27.3 | Very low | 29 | Very low | 124 Ų | 124 | 133.4 Ų | 133.4 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | | | | 170.5 | 136.3 | 114.2 | -86.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 499 | E | 27.6 | Very low | 28.8 | Very low | 180 Ų | 180 | 132.4 Ų | 132.4 | 84% | 0.841 | 77% | 0.77 | S | S | * | * | | | trans | -69.6 | 128.2 | -173.3 | -58.6 | -176.7 | 150.2 | 0 | 0 | 112.2 | T501 | E499-T501 PolarHBondContact O-N 3.43Å; E499-T501 VanDerWaalsContact O-N 3.14Å |
| 500 | N | 28.1 | Very low | 28.7 | Very low | 173 Ų | 173 | 136.9 Ų | 136.9 | 93% | 0.925 | 77% | 0.773 | S | S | * | * | | | trans | -78.2 | 97.3 | 168.6 | -90.3 | -8.2 | 0 | 0 | 0 | 109.8 | | |
| 501 | T | 27.7 | Very low | 28.5 | Very low | 109 Ų | 109 | 140.9 Ų | 140.9 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | | | trans | -71.6 | 162.2 | 157 | 31.3 | 0 | 0 | 0 | 0 | 110.8 | E499 | E499-T501 PolarHBondContact O-N 3.43Å; E499-T501 VanDerWaalsContact O-N 3.14Å |
| 502 | L | 27.8 | Very low | 28.3 | Very low | 131 Ų | 131 | 141.6 Ų | 141.6 | 69% | 0.686 | 78% | 0.783 | S | S | * | * | | | trans | 92.2 | 101.4 | 157.3 | -59.6 | 146.3 | 0 | 0 | 0 | 118.3 | L504 | L502-L504 HydrophobicContact CD2-CD1 4.45Š|
| 503 | F | 27.2 | Very low | 28.1 | Very low | 222 Ų | 222 | 143.5 Ų | 143.5 | 97% | 0.974 | 79% | 0.793 | S | S | * | * | | | trans | -125.9 | 80.9 | 132.2 | -87 | -78.7 | 0 | 0 | 0 | 108.8 | | |
| 504 | L | 29.3 | Very low | 27.9 | Very low | 143 Ų | 143 | 141.1 Ų | 141.1 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | | | trans | -91.7 | 136 | 151.7 | -96.8 | 88.7 | 0 | 0 | 0 | 108 | L502 | L502-L504 HydrophobicContact CD2-CD1 4.45Š|
| 505 | P | 26.6 | Very low | 28.1 | Very low | 131 Ų | 131 | 139.7 Ų | 139.7 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | | | trans | -80.2 | 120.8 | 173.6 | 31.7 | -28.1 | 0 | 0 | 0 | 109.1 | | |
| 506 | S | 29.5 | Very low | 28.5 | Very low | 118 Ų | 118 | 141.7 Ų | 141.7 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | | | trans | -127.9 | 125.7 | 165.5 | -172.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 507 | S | 28 | Very low | 28.6 | Very low | 101 Ų | 101 | 143.8 Ų | 143.8 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | | | trans | -67.3 | 138.7 | 177.9 | -38 | 0 | 0 | 0 | 0 | 112.2 | | |
| 508 | I | 28.1 | Very low | 29.2 | Very low | 158 Ų | 158 | 146 Ų | 146 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | | | trans | 58 | 116.9 | 139.7 | -67.9 | 163.2 | 0 | 0 | 0 | 118.3 | | |
| 509 | S | 27.5 | Very low | 29.6 | Very low | 78 Ų | 78 | 147.5 Ų | 147.5 | 55% | 0.545 | 79% | 0.786 | S | S | . | * | | | | 140.9 | 122.8 | 117.3 | -109.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 510 | R | 26.8 | Very low | 29.9 | Very low | 226 Ų | 226 | 146 Ų | 146 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | | | trans | 69.3 | 138.5 | 148.6 | -52.8 | 169.1 | -143.2 | -126.4 | 7.5 | 113.8 | | |
| 511 | Q | 29 | Very low | 30.2 | Very low | 187 Ų | 187 | 140.9 Ų | 140.9 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | | | cis | -170.3 | 146 | 41.1 | -161.3 | 167.1 | -11 | 0 | 0 | 108.3 | | |
| 512 | L | 26.7 | Very low | 30.6 | Very low | 167 Ų | 167 | 143 Ų | 143 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | | | trans | -66.7 | 146.5 | 177 | -70.6 | 153.4 | 0 | 0 | 0 | 113.2 | | |
| 513 | T | 30.6 | Very low | 30.7 | Very low | 135 Ų | 135 | 145.4 Ų | 145.4 | 83% | 0.828 | 79% | 0.785 | S | S | * | * | | | trans | -169.9 | 136.5 | 140.3 | 50.4 | 0 | 0 | 0 | 0 | 106.2 | | |
| 514 | S | 26.8 | Very low | 31 | Very low | 97 Ų | 97 | 140.8 Ų | 140.8 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | | | cis | 176.8 | 175.9 | -4.5 | 43.5 | 0 | 0 | 0 | 0 | 105.5 | | |
| 515 | T | 33.8 | Very low | 31 | Very low | 118 Ų | 118 | 142 Ų | 142 | 72% | 0.724 | 79% | 0.787 | S | S | * | * | | | trans | 81.7 | 127.4 | 168.1 | 64.4 | 0 | 0 | 0 | 0 | 116 | | |
| 516 | D | 33.3 | Very low | 31.4 | Very low | 133 Ų | 133 | 139.7 Ų | 139.7 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | | | cis | -158.8 | 128.6 | 9.1 | -83.6 | -29.1 | 0 | 0 | 0 | 107.9 | | |
| 517 | E | 32.6 | Very low | 31.3 | Very low | 173 Ų | 173 | 139.4 Ų | 139.4 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | | | | 84.7 | 140.6 | 101.4 | -69.7 | -163.4 | 156 | 0 | 0 | 118.1 | | |
| 518 | L | 38.8 | Very low | 31.5 | Very low | 161 Ų | 161 | 142.9 Ų | 142.9 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | | | trans | 99.8 | 142 | 163.8 | -58.8 | 166 | 0 | 0 | 0 | 118.1 | | |
| 519 | H | 35.1 | Very low | 31.5 | Very low | 156 Ų | 156 | 143.4 Ų | 143.4 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | | | | -169.9 | 148.1 | -57.5 | -134.2 | -71 | 0 | 0 | 0 | 105.7 | | |
| 520 | D | 35.1 | Very low | 31.8 | Very low | 150 Ų | 150 | 146.5 Ų | 146.5 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | | | trans | 61.6 | 142.5 | 158.7 | -62 | -15.5 | 0 | 0 | 0 | 120.4 | | |
| 521 | G | 33.3 | Very low | 32 | Very low | 65 Ų | 65 | 143.3 Ų | 143.3 | 67% | 0.67 | 80% | 0.803 | S | S | * | * | | | cis | 157.1 | 153.1 | 5.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 522 | I | 36.5 | Very low | 31.9 | Very low | 154 Ų | 154 | 139.6 Ų | 139.6 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | | | trans | 95.2 | 109.3 | 148.2 | -52.9 | 169.5 | 0 | 0 | 0 | 120.9 | | |
| 523 | E | 29.7 | Very low | 32.2 | Very low | 181 Ų | 181 | 137.5 Ų | 137.5 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | | | trans | 44.5 | 133.3 | 133.8 | -59.3 | 175.9 | 148.2 | 0 | 0 | 124.4 | | |
| 524 | S | 33.7 | Very low | 32 | Very low | 125 Ų | 125 | 137.7 Ų | 137.7 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | | | | 164.3 | 143.3 | 102.3 | -165.3 | 0 | 0 | 0 | 0 | 114.6 | | |
| 525 | D | 30.4 | Very low | 32.3 | Very low | 168 Ų | 168 | 141.4 Ų | 141.4 | 90% | 0.898 | 80% | 0.8 | S | S | * | * | | | trans | -70.7 | 158.2 | -174.6 | -87.1 | -45.1 | 0 | 0 | 0 | 116.8 | | |
| 526 | G | 34.4 | Very low | 31.9 | Very low | 82 Ų | 82 | 139.7 Ų | 139.7 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | | | trans | -174.7 | 95.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 527 | S | 27.5 | Very low | 31.5 | Very low | 113 Ų | 113 | 140 Ų | 140 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | | | trans | -84.4 | 156.7 | -178.8 | 55.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 528 | I | 31.3 | Very low | 31.2 | Very low | 173 Ų | 173 | 137.3 Ų | 137.3 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | | | trans | -158.5 | 123.7 | 140.2 | -87.7 | 142.4 | 0 | 0 | 0 | 108.8 | | |
| 529 | Q | 29.4 | Very low | 30.6 | Very low | 170 Ų | 170 | 135.8 Ų | 135.8 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | | | trans | -81 | 151.5 | 174 | -65.9 | 168.9 | -12.3 | 0 | 0 | 111.8 | | |
| 530 | V | 33.1 | Very low | 30.3 | Very low | 143 Ų | 143 | 132.3 Ų | 132.3 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | | | trans | -154.3 | 118.9 | 130.7 | -174.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 531 | H | 30.8 | Very low | 29.9 | Very low | 159 Ų | 159 | 133.5 Ų | 133.5 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | | | trans | 9.2 | 121 | 158.5 | -71.2 | -9.8 | 0 | 0 | 0 | 126.3 | | |
| 532 | S | 28 | Very low | 29.7 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | | | | 44.3 | 150 | 103.2 | -57.9 | 0 | 0 | 0 | 0 | 121.8 | | |
| 533 | P | 32.8 | Very low | 29.1 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | | | cis | -141.1 | 152.8 | 31.3 | 37.6 | -16.5 | 0 | 0 | 0 | 119.1 | | |
| 534 | N | 26.6 | Very low | 29.2 | Very low | 140 Ų | 140 | 141.1 Ų | 141.1 | 75% | 0.749 | 80% | 0.795 | S | S | * | * | | | trans | -51.5 | 143.4 | 157.3 | -100.6 | -32 | 0 | 0 | 0 | 113.4 | | |
| 535 | I | 32.3 | Very low | 28.8 | Very low | 175 Ų | 175 | 144 Ų | 144 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | | | trans | -115.3 | 124.5 | 143 | -63.9 | 177.4 | 0 | 0 | 0 | 107.8 | | |
| 536 | T | 25.8 | Very low | 29 | Very low | 82 Ų | 82 | 144.3 Ų | 144.3 | 50% | 0.503 | 79% | 0.791 | S | S | . | * | | | trans | -113.8 | 141.3 | -162.8 | -62.6 | 0 | 0 | 0 | 0 | 108.5 | | |
| 537 | N | 24.4 | Very low | 28.5 | Very low | 140 Ų | 140 | 147.6 Ų | 147.6 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | | | trans | 61.2 | 149.9 | 156.7 | -59.1 | -14.5 | 0 | 0 | 0 | 116.2 | | |
| 538 | T | 26.3 | Very low | 28.5 | Very low | 116 Ų | 116 | 150.7 Ų | 150.7 | 71% | 0.712 | 78% | 0.782 | S | S | * | * | | | cis | 179.6 | 142.6 | 48.8 | -28.6 | 0 | 0 | 0 | 0 | 107.3 | | |
| 539 | T | 25.4 | Very low | 28.4 | Very low | 129 Ų | 129 | 146.7 Ų | 146.7 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | | | trans | 29.4 | 122.1 | 143.9 | 45.5 | 0 | 0 | 0 | 0 | 121.1 | | |
| 540 | A | 29.4 | Very low | 28.2 | Very low | 82 Ų | 82 | 144.2 Ų | 144.2 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | | | | -164.8 | 101.2 | 125.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | N542 | A540-N542 PolarHBondContact O-N 2.93Å; A540-N542 VanDerWaalsContact O-N 3.08Å |
| 541 | L | 26.4 | Very low | 28 | Very low | 175 Ų | 175 | 143.2 Ų | 143.2 | 92% | 0.916 | 78% | 0.776 | S | S | * | * | | | trans | -51 | 106 | 148.8 | -81.5 | 155.7 | 0 | 0 | 0 | 108.4 | | |
| 542 | N | 30.2 | Very low | 27.7 | Very low | 136 Ų | 136 | 139.9 Ų | 139.9 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | trans | -126.5 | 104.4 | 164.2 | -93.2 | -33.8 | 0 | 0 | 0 | 111.4 | A540 F544 | A540-N542 PolarHBondContact O-N 2.93Å; A540-N542 VanDerWaalsContact O-N 3.08Å; N542-F544 PolarHBondContact O-N 3.39Å |
| 543 | R | 24.1 | Very low | 27.6 | Very low | 227 Ų | 227 | 140.9 Ų | 140.9 | 86% | 0.857 | 77% | 0.772 | S | S | * | * | | | trans | -49.5 | 118.6 | 165.5 | -53.1 | 168.9 | -147.3 | 158.7 | 4.9 | 109 | | |
| 544 | F | 30.9 | Very low | 27.3 | Very low | 197 Ų | 197 | 140.1 Ų | 140.1 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | | | trans | -128.4 | 105.4 | 146.7 | -87.8 | -79.4 | 0 | 0 | 0 | 109.6 | N542 I546 | N542-F544 PolarHBondContact O-N 3.39Å; F544-I546 PolarHBondContact O-N 3.35Å |
| 545 | K | 25.7 | Very low | 27.4 | Very low | 187 Ų | 187 | 141.9 Ų | 141.9 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | | | trans | -58.3 | 123.5 | 170.4 | -70.9 | 168.3 | 171.6 | 173.6 | 0 | 108.9 | | |
| 546 | I | 33.5 | Very low | 27.2 | Very low | 173 Ų | 173 | 138.6 Ų | 138.6 | 89% | 0.887 | 77% | 0.768 | S | S | * | * | | | trans | -124.6 | 112.6 | 144 | -57.1 | -179.2 | 0 | 0 | 0 | 107.1 | F544 | F544-I546 PolarHBondContact O-N 3.35Š|
| 547 | K | 25.7 | Very low | 27.3 | Very low | 152 Ų | 152 | 139.1 Ų | 139.1 | 66% | 0.661 | 77% | 0.773 | S | S | * | * | | | trans | -86.6 | 134.8 | -178.5 | -149.6 | 172.6 | 173.5 | -164.3 | 0 | 104.2 | | |
| 548 | F | 26.5 | Very low | 27.4 | Very low | 177 Ų | 177 | 140.9 Ų | 140.9 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | | | | -178.9 | 154.8 | 77.5 | -91.6 | -82.8 | 0 | 0 | 0 | 111.6 | | |
| 549 | A | 29.6 | Very low | 27.5 | Very low | 89 Ų | 89 | 143.7 Ų | 143.7 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | | | trans | 79.5 | 64.7 | 159.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 550 | S | 24.1 | Very low | 27.6 | Very low | 118 Ų | 118 | 142.6 Ų | 142.6 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | | | trans | -66.8 | 119.9 | 136.9 | -54.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 551 | S | 29 | Very low | 27.4 | Very low | 123 Ų | 123 | 146.6 Ų | 146.6 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | | | trans | -110.3 | 101.8 | 155.5 | -70.8 | 0 | 0 | 0 | 0 | 107.8 | | |
| 552 | S | 25.3 | Very low | 27.4 | Very low | 89 Ų | 89 | 145 Ų | 145 | 62% | 0.622 | 78% | 0.78 | S | S | * | * | | | trans | -55.5 | 169.1 | 170.8 | -23.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 553 | T | 25.5 | Very low | 27.3 | Very low | 129 Ų | 129 | 143.2 Ų | 143.2 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | | | trans | 69.7 | 103.5 | 143.8 | 55.1 | 0 | 0 | 0 | 0 | 118 | | |
| 554 | S | 27.4 | Very low | 27.5 | Very low | 107 Ų | 107 | 142.4 Ų | 142.4 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | | | | 160.2 | 126.8 | 96.4 | 52.3 | 0 | 0 | 0 | 0 | 109.3 | P556 | S554-P556 WeakPolarHBondContact O-CD 3.48Š|
| 555 | L | 27.3 | Very low | 27.6 | Very low | 176 Ų | 176 | 141.4 Ų | 141.4 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 124.9 | 160.6 | -75.1 | 159 | 0 | 0 | 0 | 107.6 | | |
| 556 | P | 29 | Very low | 28.1 | Very low | 106 Ų | 106 | 138.5 Ų | 138.5 | 69% | 0.688 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 158.2 | 155.7 | 13.4 | 6.8 | 0 | 0 | 0 | 109.4 | S554 | S554-P556 WeakPolarHBondContact O-CD 3.48Š|
| 557 | P | 26.8 | Very low | 28.3 | Very low | 94 Ų | 94 | 140.1 Ų | 140.1 | 61% | 0.61 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 157.5 | -157.2 | -2.2 | 21.1 | 0 | 0 | 0 | 112.3 | F559 | P557-F559 HydrophobicContact CB-CE2 4.2Å; P557-F559 HydrophobicContact CG-CE2 3.87Å; P557-F559 PolarHBondContact O-N 3.48Å; P557-F559 VanDerWaalsContact O-N 3.17Å |
| 558 | L | 27.6 | Very low | 29 | Very low | 177 Ų | 177 | 142 Ų | 142 | 93% | 0.927 | 79% | 0.786 | S | S | * | * | | | trans | -43.9 | 121.4 | 155.5 | -84.2 | 95.4 | 0 | 0 | 0 | 109.3 | | |
| 559 | F | 28.2 | Very low | 29.5 | Very low | 175 Ų | 175 | 140.4 Ų | 140.4 | 77% | 0.768 | 79% | 0.785 | S | S | * | * | | | trans | -123.7 | 145.9 | 158.3 | -80.9 | -72.4 | 0 | 0 | 0 | 109.4 | P557 | P557-F559 HydrophobicContact CB-CE2 4.2Å; P557-F559 HydrophobicContact CG-CE2 3.87Å; P557-F559 PolarHBondContact O-N 3.48Å; P557-F559 VanDerWaalsContact O-N 3.17Å |
| 560 | P | 26.7 | Very low | 29.8 | Very low | 106 Ų | 106 | 147.5 Ų | 147.5 | 69% | 0.688 | 79% | 0.793 | S | S | * | * | | | trans | -80.5 | 149.2 | -148.3 | 30.9 | -35 | 0 | 0 | 0 | 113 | N562 | P560-N562 PolarHBondContact O-N 3.2Å; P560-N562 VanDerWaalsContact O-N 3.15Å |
| 561 | I | 26.8 | Very low | 30.4 | Very low | 165 Ų | 165 | 149 Ų | 149 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | | | trans | -32.1 | 112.1 | 154.4 | -55.8 | 155.4 | 0 | 0 | 0 | 109.5 | | |
| 562 | N | 26.5 | Very low | 30.7 | Very low | 142 Ų | 142 | 147.3 Ų | 147.3 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | | | trans | -161.3 | 102.8 | 153.3 | -100.1 | -24.7 | 0 | 0 | 0 | 112.2 | P560 | P560-N562 PolarHBondContact O-N 3.2Å; P560-N562 VanDerWaalsContact O-N 3.15Å |
| 563 | S | 27.3 | Very low | 31.4 | Very low | 99 Ų | 99 | 151.5 Ų | 151.5 | 69% | 0.692 | 79% | 0.794 | S | S | * | * | | | | 58.1 | 76.3 | 127.4 | -127.1 | 0 | 0 | 0 | 0 | 118.2 | | |
| 564 | F | 29.2 | Very low | 31.7 | Very low | 209 Ų | 209 | 156 Ų | 156 | 92% | 0.917 | 80% | 0.798 | S | S | * | * | | | trans | -92.2 | 98.4 | 154.4 | -97.7 | -87.2 | 0 | 0 | 0 | 110 | | |
| 565 | K | 32.9 | Very low | 32.4 | Very low | 176 Ų | 176 | 156.8 Ų | 156.8 | 77% | 0.765 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 124.3 | 167.6 | -64.7 | -179.4 | 177.8 | 179.9 | 0 | 109.7 | K567 | K565-K567 PolarHBondContact O-N 2.96Š|
| 566 | P | 35.8 | Very low | 33.2 | Very low | 126 Ų | 126 | 158.2 Ų | 158.2 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 120.8 | 165.5 | 26.2 | -27.8 | 0 | 0 | 0 | 108.9 | | |
| 567 | K | 37.1 | Very low | 33.5 | Very low | 207 Ų | 207 | 161.1 Ų | 161.1 | 90% | 0.9 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 132.1 | 177.3 | -76.1 | -178.5 | 175.4 | 179 | 0 | 110.6 | K565 | K565-K567 PolarHBondContact O-N 2.96Š|
| 568 | K | 40.2 | Very low | 33.9 | Very low | 193 Ų | 193 | 166.9 Ų | 166.9 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 150.6 | 172.3 | -70.7 | 175.7 | 172.5 | -180 | 0 | 112.7 | | |
| 569 | N | 36.6 | Very low | 34.1 | Very low | 143 Ų | 143 | 167.8 Ų | 167.8 | 77% | 0.765 | 80% | 0.795 | S | S | * | * | | | trans | 70 | 92.1 | 154.9 | -71.8 | -6.2 | 0 | 0 | 0 | 119 | | |
| 570 | W | 36 | Very low | 34.3 | Very low | 237 Ų | 237 | 167.7 Ų | 167.7 | 90% | 0.898 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -116.9 | 7 | 153.9 | 73.6 | -73.9 | 0 | 0 | 0 | 113 | | |
| 571 | L | 36.5 | Very low | 34.4 | Very low | 149 Ų | 149 | 168.3 Ų | 168.3 | 78% | 0.78 | 80% | 0.801 | S | S | * | * | | | trans | -124.7 | 52.5 | -172.6 | -151.3 | 75.1 | 0 | 0 | 0 | 112.2 | | |
| 572 | A | 36.6 | Very low | 34.9 | Very low | 88 Ų | 88 | 169 Ų | 169 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | trans | -129.2 | 71.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 573 | Q | 39.7 | Very low | 35.1 | Very low | 178 Ų | 178 | 168.5 Ų | 168.5 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | | | trans | -148.9 | 12.7 | 175.6 | -125.3 | 175.4 | 14.9 | 0 | 0 | 115.1 | | |
| 574 | Y | 31.5 | Very low | 35.4 | Very low | 222 Ų | 222 | 169.4 Ų | 169.4 | 87% | 0.871 | 81% | 0.805 | S | S | * | * | | | trans | -133.1 | 79.9 | 170.8 | -79 | -81.1 | 0 | 0 | 0 | 109.8 | | |
| 575 | D | 42.1 | Very low | 35.4 | Very low | 125 Ų | 125 | 165 Ų | 165 | 67% | 0.668 | 80% | 0.795 | S | S | * | * | | | trans | -82.9 | 108.3 | 164 | -168.4 | -3.5 | 0 | 0 | 0 | 108.1 | R577 | D575-R577 VanDerWaalsContact C-N 3.26Å; D575-R577 PolarHBondContact OD1-N 3.49Å |
| 576 | W | 43.2 | Very low | 35.5 | Very low | 205 Ų | 205 | 164.4 Ų | 164.4 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | | | trans | -87.8 | 8.1 | -177.2 | 53.4 | -87.4 | 0 | 0 | 0 | 112.6 | | |
| 577 | R | 36 | Very low | 35.1 | Very low | 167 Ų | 167 | 163.5 Ų | 163.5 | 63% | 0.63 | 80% | 0.795 | S | S | * | * | | | trans | -112.5 | 60.5 | -172.7 | -63.3 | -169.8 | 176.5 | -163.8 | 1.9 | 113.3 | D575 | D575-R577 VanDerWaalsContact C-N 3.26Å; D575-R577 PolarHBondContact OD1-N 3.49Å |
| 578 | Y | 34.9 | Very low | 35.1 | Very low | 216 Ų | 216 | 159.2 Ų | 159.2 | 85% | 0.847 | 79% | 0.789 | S | S | * | * | | | trans | -147.2 | 83.8 | 161 | -97.4 | -82.3 | 0 | 0 | 0 | 111.1 | | |
| 579 | Q | 32.9 | Very low | 34.7 | Very low | 195 Ų | 195 | 157.1 Ų | 157.1 | 91% | 0.911 | 79% | 0.792 | S | S | * | * | | | trans | -125.9 | 94.2 | 151.5 | -93.2 | -175.1 | -4.9 | 0 | 0 | 106.8 | | |
| 580 | Q | 32.9 | Very low | 34.6 | Very low | 174 Ų | 174 | 156.3 Ų | 156.3 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | | | trans | -145.8 | 135.2 | 145.6 | -84.1 | -127.6 | -20.1 | 0 | 0 | 109 | | |
| 581 | P | 28.4 | Very low | 34.6 | Very low | 118 Ų | 118 | 150.3 Ų | 150.3 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | | | trans | -100 | 111.4 | -168.9 | 34.2 | -22.6 | 0 | 0 | 0 | 110.4 | | |
| 582 | E | 36.1 | Very low | 34.3 | Very low | 180 Ų | 180 | 150.1 Ų | 150.1 | 84% | 0.841 | 78% | 0.784 | S | S | * | * | | | trans | -132.3 | 115.5 | 164.8 | -72.4 | -166.4 | 168.5 | 0 | 0 | 111.8 | | |
| 583 | T | 31.2 | Very low | 34 | Very low | 131 Ų | 131 | 150.1 Ų | 150.1 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | trans | -47.7 | 137.3 | 162.4 | 46.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 584 | T | 34 | Very low | 33.6 | Very low | 119 Ų | 119 | 148.2 Ų | 148.2 | 73% | 0.73 | 77% | 0.771 | S | S | * | * | | | | 161.4 | 115.8 | 114.2 | -58.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 585 | T | 29.8 | Very low | 33.7 | Very low | 116 Ų | 116 | 146 Ų | 146 | 71% | 0.712 | 77% | 0.768 | S | S | * | * | | | trans | -8.5 | 132 | 150.9 | 44.9 | 0 | 0 | 0 | 0 | 116.5 | | |
| 586 | I | 34.6 | Very low | 33.1 | Very low | 164 Ų | 164 | 144.3 Ų | 144.3 | 84% | 0.841 | 77% | 0.766 | S | S | * | * | | | | -179.6 | 121.5 | 109.5 | -78.6 | 144.5 | 0 | 0 | 0 | 107.5 | | |
| 587 | S | 27.6 | Very low | 32.6 | Very low | 107 Ų | 107 | 141.3 Ų | 141.3 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | | | trans | -88.5 | -165.9 | 174.5 | -50.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 588 | P | 35.6 | Very low | 32.6 | Very low | 117 Ų | 117 | 141.9 Ų | 141.9 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | | | | -115.5 | 158.7 | -104.7 | 34 | -15.2 | 0 | 0 | 0 | 113.2 | | |
| 589 | T | 33.6 | Very low | 32.4 | Very low | 148 Ų | 148 | 137.8 Ų | 137.8 | 91% | 0.908 | 76% | 0.764 | S | S | * | * | | | trans | -162.1 | 116 | 158.5 | -12 | 0 | 0 | 0 | 0 | 112.3 | | |
| 590 | T | 33.4 | Very low | 32.5 | Very low | 127 Ų | 127 | 133.2 Ų | 133.2 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | | | trans | -75.4 | -174.9 | 150.4 | 49.1 | 0 | 0 | 0 | 0 | 108.5 | | |
| 591 | P | 36.1 | Very low | 32.6 | Very low | 111 Ų | 111 | 131 Ų | 131 | 72% | 0.721 | 76% | 0.757 | S | S | * | * | | | cis | -140.5 | 178.6 | -2.5 | 43.1 | -24.3 | 0 | 0 | 0 | 115.4 | | |
| 592 | N | 30.8 | Very low | 32.8 | Very low | 144 Ų | 144 | 128.4 Ų | 128.4 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | | | trans | 82 | 139.9 | 133.8 | -131.1 | -9.9 | 0 | 0 | 0 | 125.4 | | |
| 593 | T | 30.3 | Very low | 32.7 | Very low | 89 Ų | 89 | 125.4 Ų | 125.4 | 55% | 0.546 | 75% | 0.751 | S | S | . | * | | | trans | 85.3 | 104 | 139.3 | -38.8 | 0 | 0 | 0 | 0 | 120.7 | | |
| 594 | N | 30.4 | Very low | 32.7 | Very low | 138 Ų | 138 | 124.9 Ų | 124.9 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | | | | 15.5 | 122.6 | 127.8 | -52.3 | -37.2 | 0 | 0 | 0 | 116.9 | | |
| 595 | Q | 33.3 | Very low | 33.2 | Very low | 176 Ų | 176 | 124.6 Ų | 124.6 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | | | | 172.6 | 128.3 | 114.4 | -94.4 | 168.9 | 70 | 0 | 0 | 110.7 | | |
| 596 | S | 31 | Very low | 33.2 | Very low | 89 Ų | 89 | 124.5 Ų | 124.5 | 62% | 0.622 | 76% | 0.757 | S | S | * | * | | | | 67.5 | 111.9 | 125 | -178.6 | 0 | 0 | 0 | 0 | 120.2 | | |
| 597 | I | 32.1 | Very low | 33.1 | Very low | 142 Ų | 142 | 121 Ų | 121 | 73% | 0.728 | 75% | 0.746 | S | S | * | * | | | | 68.9 | 107.5 | 124.7 | -55.7 | 172.7 | 0 | 0 | 0 | 117.2 | | |
| 598 | F | 34.9 | Very low | 33.3 | Very low | 179 Ų | 179 | 122.5 Ų | 122.5 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | | | trans | 60.2 | 145 | 140.6 | -82 | -99.2 | 0 | 0 | 0 | 121.8 | | |
| 599 | D | 32.3 | Very low | 33 | Very low | 129 Ų | 129 | 123 Ų | 123 | 69% | 0.69 | 74% | 0.741 | S | S | * | * | | | trans | 83.7 | 95.8 | 150.8 | -63.4 | -29.7 | 0 | 0 | 0 | 119.8 | | |
| 600 | S | 34.9 | Very low | 32.9 | Very low | 99 Ų | 99 | 122.3 Ų | 122.3 | 69% | 0.692 | 73% | 0.73 | S | S | * | * | | | | 65.4 | 121.4 | 109 | -62.1 | 0 | 0 | 0 | 0 | 118.6 | | |
| 601 | S | 33.9 | Very low | 32.7 | Very low | 128 Ų | 128 | 120.2 Ų | 120.2 | 90% | 0.895 | 73% | 0.726 | S | S | * | * | | | trans | 80.9 | 139.3 | 141.7 | 75.4 | 0 | 0 | 0 | 0 | 118 | | |
| 602 | G | 33.2 | Very low | 32.4 | Very low | 64 Ų | 64 | 119.2 Ų | 119.2 | 66% | 0.66 | 72% | 0.722 | S | S | * | * | | | trans | 119.5 | 84.8 | 146.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 603 | S | 33.3 | Very low | 32.5 | Very low | 116 Ų | 116 | 121.3 Ų | 121.3 | 81% | 0.811 | 73% | 0.727 | S | S | * | * | | | | 58.9 | 104.9 | 122.6 | -52.4 | 0 | 0 | 0 | 0 | 119.6 | | |
| 604 | S | 31.3 | Very low | 32.7 | Very low | 120 Ų | 120 | 122 Ų | 122 | 84% | 0.839 | 74% | 0.735 | S | S | * | * | | | | 53.6 | 154.1 | 114.1 | -73.5 | 0 | 0 | 0 | 0 | 122.7 | | |
| 605 | P | 44.2 | Very low | 32.8 | Very low | 114 Ų | 114 | 122.7 Ų | 122.7 | 74% | 0.74 | 74% | 0.736 | S | S | * | * | | | trans | -111.1 | -157.1 | -139.5 | 43.6 | -34.4 | 0 | 0 | 0 | 113.5 | | |
| 606 | S | 30.7 | Very low | 33.1 | Very low | 113 Ų | 113 | 120.5 Ų | 120.5 | 79% | 0.79 | 73% | 0.726 | S | S | * | * | | | trans | 98 | 141.5 | 175.8 | 79.2 | 0 | 0 | 0 | 0 | 113 | | |
| 607 | S | 33.1 | Very low | 33.3 | Very low | 90 Ų | 90 | 123.1 Ų | 123.1 | 63% | 0.629 | 73% | 0.733 | S | S | * | * | | | cis | -180 | 161 | -0.9 | 41.2 | 0 | 0 | 0 | 0 | 107.9 | | |
| 608 | I | 30.5 | Very low | 33.5 | Very low | 139 Ų | 139 | 121.1 Ų | 121.1 | 71% | 0.713 | 73% | 0.727 | S | S | * | * | | | trans | 82.9 | 124 | 135.2 | -83.3 | 163.8 | 0 | 0 | 0 | 120.7 | | |
| 609 | N | 30.7 | Very low | 33.5 | Very low | 128 Ų | 128 | 122 Ų | 122 | 68% | 0.684 | 73% | 0.725 | S | S | * | * | | | trans | 67.9 | 155.7 | 138.7 | -75.9 | -3.2 | 0 | 0 | 0 | 120.9 | | |
| 610 | I | 30.3 | Very low | 33.7 | Very low | 133 Ų | 133 | 122.2 Ų | 122.2 | 68% | 0.682 | 72% | 0.722 | S | S | * | * | | | cis | -173.6 | 141.1 | -8.4 | -105.1 | 166.6 | 0 | 0 | 0 | 104.1 | | |
| 611 | A | 29.7 | Very low | 33.6 | Very low | 84 Ų | 84 | 124.4 Ų | 124.4 | 69% | 0.694 | 72% | 0.724 | S | S | * | * | | | trans | 51.5 | 167 | 151.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 612 | S | 29.9 | Very low | 33.5 | Very low | 89 Ų | 89 | 122.4 Ų | 122.4 | 62% | 0.622 | 71% | 0.71 | S | S | * | * | | | cis | -160.5 | 164.9 | 17.2 | -69 | 0 | 0 | 0 | 0 | 107.5 | | |
| 613 | E | 31.6 | Very low | 33.5 | Very low | 188 Ų | 188 | 126 Ų | 126 | 88% | 0.879 | 71% | 0.714 | S | S | * | * | | | trans | 68.8 | 137.7 | 148.1 | -71.2 | 154.3 | -167 | 0 | 0 | 117.1 | | |
| 614 | S | 35.9 | Very low | 33.4 | Very low | 103 Ų | 103 | 126.9 Ų | 126.9 | 72% | 0.72 | 72% | 0.715 | S | S | * | * | | | cis | -161.6 | 137.7 | 26.5 | 56.1 | 0 | 0 | 0 | 0 | 108.5 | | |
| 615 | M | 32.7 | Very low | 33.3 | Very low | 153 Ų | 153 | 126 Ų | 126 | 75% | 0.754 | 71% | 0.708 | S | S | * | * | | | | 49.6 | 125.9 | 105.6 | -54.2 | -109.9 | -71.7 | 0 | 0 | 113.5 | | |
| 616 | E | 38.2 | Very low | 32.7 | Very low | 131 Ų | 131 | 128.2 Ų | 128.2 | 61% | 0.612 | 71% | 0.71 | S | S | * | * | | | cis | -175.6 | 158.6 | 43.7 | -147.5 | 86.6 | -117.6 | 0 | 0 | 109.5 | | |
| 617 | D | 35.5 | Very low | 32.9 | Very low | 144 Ų | 144 | 127.6 Ų | 127.6 | 77% | 0.77 | 70% | 0.704 | S | S | * | * | | | trans | 63 | 138.2 | 150.9 | -74.8 | -10.5 | 0 | 0 | 0 | 120.9 | | |
| 618 | V | 36.2 | Very low | 33 | Very low | 99 Ų | 99 | 133 Ų | 133 | 60% | 0.6 | 72% | 0.716 | S | S | * | * | | | cis | -165 | 128.9 | 6.6 | 129.1 | 0 | 0 | 0 | 0 | 107 | | |
| 619 | R | 34.8 | Very low | 32.9 | Very low | 197 Ų | 197 | 133.9 Ų | 133.9 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | | | trans | 40.2 | 128.9 | 142.2 | -39.6 | 176.7 | 177.3 | -167 | -2.9 | 118.6 | | |
| 620 | H | 36.8 | Very low | 33.2 | Very low | 135 Ų | 135 | 137.2 Ų | 137.2 | 63% | 0.625 | 73% | 0.732 | S | S | * | * | | | | -173.8 | 133.5 | 54.3 | -91.4 | -70.9 | 0 | 0 | 0 | 110 | | |
| 621 | I | 33.2 | Very low | 33.3 | Very low | 144 Ų | 144 | 138 Ų | 138 | 74% | 0.738 | 74% | 0.736 | S | S | * | * | | | | 54 | 123.8 | 124 | -51.2 | 176.4 | 0 | 0 | 0 | 116.3 | | |
| 622 | S | 32.7 | Very low | 33.6 | Very low | 86 Ų | 86 | 140.5 Ų | 140.5 | 60% | 0.601 | 74% | 0.743 | S | S | * | * | | | cis | -177.3 | 137.2 | 6.3 | 44.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 623 | N | 31.9 | Very low | 33.6 | Very low | 140 Ų | 140 | 140.7 Ų | 140.7 | 75% | 0.749 | 74% | 0.744 | S | S | * | * | | | | 63.6 | 117.9 | 126.5 | -56.5 | -11.5 | 0 | 0 | 0 | 120.5 | | |
| 624 | V | 31.3 | Very low | 33.9 | Very low | 135 Ų | 135 | 139.3 Ų | 139.3 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | | | | 67.4 | 136.8 | 62 | 175.2 | 0 | 0 | 0 | 0 | 109.1 | | |
| 625 | S | 30.5 | Very low | 33.6 | Very low | 101 Ų | 101 | 141.7 Ų | 141.7 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | | | cis | 175.1 | 157 | -1.3 | 162.3 | 0 | 0 | 0 | 0 | 104.8 | | |
| 626 | M | 29.9 | Very low | 33.7 | Very low | 160 Ų | 160 | 146 Ų | 146 | 79% | 0.788 | 76% | 0.755 | S | S | * | * | | | trans | -44.6 | -176.2 | 155.6 | -82.7 | -117.4 | -58.4 | 0 | 0 | 114.6 | | |
| 627 | P | 35.3 | Very low | 33.4 | Very low | 101 Ų | 101 | 147 Ų | 147 | 66% | 0.656 | 76% | 0.764 | S | S | * | * | | | cis | -136.6 | -166.9 | -20.6 | 24.9 | 0.3 | 0 | 0 | 0 | 112.6 | | |
| 628 | K | 34.9 | Very low | 33.5 | Very low | 203 Ų | 203 | 146.6 Ų | 146.6 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | | | | 145.7 | 124.5 | 124.9 | -154.7 | 164.7 | -168.9 | 173.4 | 0 | 114.7 | | |
| 629 | L | 29.1 | Very low | 33.4 | Very low | 158 Ų | 158 | 148.9 Ų | 148.9 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | | | trans | -70.4 | 149.6 | 174.1 | -78.4 | 156.9 | 0 | 0 | 0 | 112.8 | | |
| 630 | H | 37.4 | Very low | 33.3 | Very low | 197 Ų | 197 | 146 Ų | 146 | 91% | 0.912 | 78% | 0.78 | S | S | * | * | | | trans | -157.1 | 130.8 | 144.9 | -116.8 | -149.7 | 0 | 0 | 0 | 111.9 | | |
| 631 | I | 31.7 | Very low | 33.3 | Very low | 149 Ų | 149 | 144.8 Ų | 144.8 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | | | trans | -77.8 | 138.7 | 174.6 | -63 | 158.8 | 0 | 0 | 0 | 108.8 | | |
| 632 | V | 37 | Very low | 33.5 | Very low | 138 Ų | 138 | 145.7 Ų | 145.7 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | | | trans | -161.6 | 126.1 | 138.2 | 173.7 | 0 | 0 | 0 | 0 | 109 | | |
| 633 | S | 29.2 | Very low | 33.6 | Very low | 93 Ų | 93 | 150.1 Ų | 150.1 | 65% | 0.65 | 80% | 0.802 | S | S | * | * | | | trans | -67.5 | 147.3 | 169.6 | -45.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 634 | D | 38 | Very low | 33.9 | Very low | 158 Ų | 158 | 147.2 Ų | 147.2 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | | | trans | -165.1 | 137 | 137.6 | -96.8 | -27.1 | 0 | 0 | 0 | 113.8 | | |
| 635 | L | 30.5 | Very low | 34.2 | Very low | 153 Ų | 153 | 147.6 Ų | 147.6 | 80% | 0.801 | 80% | 0.802 | S | S | * | * | | | trans | -60 | 148.7 | 173.4 | -77.2 | 69 | 0 | 0 | 0 | 111.8 | | |
| 636 | R | 34.9 | Very low | 34.6 | Very low | 244 Ų | 244 | 152 Ų | 152 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | | | | 179.3 | 127.8 | 115.8 | -99.5 | 172.8 | -179.4 | 178.2 | 1.9 | 113.5 | | |
| 637 | N | 31.5 | Very low | 34.9 | Very low | 153 Ų | 153 | 147.9 Ų | 147.9 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | | | trans | -55.8 | 146.4 | 154.6 | -91.3 | -21.4 | 0 | 0 | 0 | 111 | | |
| 638 | T | 37.2 | Very low | 35.1 | Very low | 134 Ų | 134 | 151 Ų | 151 | 82% | 0.822 | 82% | 0.82 | S | S | * | * | | | | 178.6 | 116.6 | 125.1 | 27.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 639 | N | 33.7 | Very low | 35.1 | Very low | 147 Ų | 147 | 146.1 Ų | 146.1 | 79% | 0.786 | 81% | 0.812 | S | S | * | * | | | trans | 16.9 | 145.8 | 138.8 | -64.5 | -19.4 | 0 | 0 | 0 | 122.6 | | |
| 640 | T | 33 | Very low | 35.5 | Very low | 136 Ų | 136 | 144.7 Ų | 144.7 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | | | trans | 102.1 | 131.4 | 140.2 | 35.1 | 0 | 0 | 0 | 0 | 120.5 | | |
| 641 | P | 36.3 | Very low | 35.6 | Very low | 110 Ų | 110 | 143.2 Ų | 143.2 | 71% | 0.714 | 80% | 0.803 | S | S | * | * | | | trans | -93.2 | 157.5 | -174.6 | 39.4 | -32.1 | 0 | 0 | 0 | 111.4 | | |
| 642 | D | 37.5 | Very low | 35.9 | Very low | 164 Ų | 164 | 144.8 Ų | 144.8 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | | | trans | -142.4 | 136.5 | 168.3 | -132.1 | -17.2 | 0 | 0 | 0 | 113 | | |
| 643 | H | 34.7 | Very low | 36 | Very low | 178 Ų | 178 | 142.6 Ų | 142.6 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | | | trans | -84 | 151.7 | -174.9 | -74.5 | -89.4 | 0 | 0 | 0 | 111.7 | | |
| 644 | G | 39.1 | Very low | 36.7 | Very low | 79 Ų | 79 | 143.7 Ų | 143.7 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | | | trans | -154.2 | 96.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 645 | N | 36.3 | Very low | 36.6 | Very low | 144 Ų | 144 | 143.4 Ų | 143.4 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | | | trans | -53 | 159.1 | 177.6 | -73 | -40.7 | 0 | 0 | 0 | 115.3 | | |
| 646 | H | 39.2 | Very low | 36.8 | Very low | 194 Ų | 194 | 143.1 Ų | 143.1 | 90% | 0.898 | 81% | 0.806 | S | S | * | * | | | | -178.4 | 108.1 | 126 | -87.5 | -59.3 | 0 | 0 | 0 | 110.7 | | |
| 647 | G | 36.9 | Very low | 36.9 | Very low | 73 Ų | 73 | 143.3 Ų | 143.3 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | | | | 93.1 | 136.1 | 118.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 648 | L | 38.3 | Very low | 37.1 | Very low | 166 Ų | 166 | 143.1 Ų | 143.1 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | | | cis | -162.4 | 145.8 | 17.8 | -82 | 160.1 | 0 | 0 | 0 | 108.9 | | |
| 649 | S | 36.6 | Very low | 37.2 | Very low | 101 Ų | 101 | 143.9 Ų | 143.9 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | | | trans | 44.4 | 141.2 | 139.1 | -42.7 | 0 | 0 | 0 | 0 | 119.8 | | |
| 650 | T | 37.6 | Very low | 37.3 | Very low | 128 Ų | 128 | 140.8 Ų | 140.8 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | cis | -176.3 | 145 | 17.7 | -9.5 | 0 | 0 | 0 | 0 | 101.9 | | |
| 651 | E | 39.1 | Very low | 37.6 | Very low | 166 Ų | 166 | 141.1 Ų | 141.1 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | | | | 169.9 | 139.2 | 74.5 | -167 | 167.9 | -165.7 | 0 | 0 | 107.6 | | |
| 652 | E | 37.1 | Very low | 37.5 | Very low | 181 Ų | 181 | 141.4 Ų | 141.4 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | | | trans | 59.4 | 125.3 | 155.8 | -77.1 | -175.2 | 144.6 | 0 | 0 | 124 | | |
| 653 | A | 39.5 | Very low | 37.3 | Very low | 92 Ų | 92 | 139.8 Ų | 139.8 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | | | trans | -106.8 | -143.5 | 174 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 654 | P | 43 | Very low | 37.3 | Very low | 117 Ų | 117 | 140.5 Ų | 140.5 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | | | | -116.9 | 166.4 | -105.8 | 35.5 | -18.4 | 0 | 0 | 0 | 112.8 | | |
| 655 | D | 36.3 | Very low | 37 | Very low | 151 Ų | 151 | 141.5 Ų | 141.5 | 81% | 0.807 | 77% | 0.771 | S | S | * | * | | | trans | -163.6 | 153.4 | 141.7 | -128.2 | -22.1 | 0 | 0 | 0 | 116.4 | | |
| 656 | L | 36.3 | Very low | 36.9 | Very low | 148 Ų | 148 | 144.4 Ų | 144.4 | 78% | 0.775 | 77% | 0.773 | S | S | * | * | | | trans | -66 | 151.6 | -173.3 | -60.1 | 150.7 | 0 | 0 | 0 | 114.1 | | |
| 657 | R | 36.6 | Very low | 36.6 | Very low | 247 Ų | 247 | 138.7 Ų | 138.7 | 93% | 0.932 | 76% | 0.755 | S | S | * | * | | | | -175.4 | 118.9 | 129 | -99.9 | 160.5 | -163.3 | -153.4 | 4.6 | 113.2 | | |
| 658 | N | 35.9 | Very low | 36.2 | Very low | 149 Ų | 149 | 140.2 Ų | 140.2 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | | | trans | -64.5 | 145.1 | 155 | -73.2 | -18.7 | 0 | 0 | 0 | 109.9 | | |
| 659 | D | 38.2 | Very low | 36 | Very low | 151 Ų | 151 | 142.4 Ų | 142.4 | 81% | 0.807 | 75% | 0.752 | S | S | * | * | | | trans | -164.8 | 110.6 | 138.6 | -91.3 | -31.3 | 0 | 0 | 0 | 108.4 | | |
| 660 | S | 36.5 | Very low | 35.9 | Very low | 82 Ų | 82 | 142.6 Ų | 142.6 | 57% | 0.573 | 75% | 0.753 | S | S | * | * | | | | 85 | 125.8 | 73.8 | -54.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 661 | D | 38.3 | Very low | 35.6 | Very low | 142 Ų | 142 | 141.8 Ų | 141.8 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | | | trans | 80.9 | 129.6 | 150.8 | -45.5 | -29.5 | 0 | 0 | 0 | 118.3 | | |
| 662 | C | 34.6 | Very low | 35.5 | Very low | 117 Ų | 117 | 139.3 Ų | 139.3 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | | | cis | -150.5 | 128.2 | 29.2 | -58.1 | 0 | 0 | 0 | 0 | 108.3 | | |
| 663 | I | 33.1 | Very low | 35.3 | Very low | 129 Ų | 129 | 135.4 Ų | 135.4 | 66% | 0.662 | 74% | 0.744 | S | S | * | * | | | | 42.9 | 116.5 | 76.5 | -52.5 | -176.8 | 0 | 0 | 0 | 115.1 | L665 | I663-L665 HydrophobicContact CG2-CD1 3.41Å; I663-L665 VanDerWaalsContact CG2-CD1 3.41Å |
| 664 | F | 34.3 | Very low | 34.9 | Very low | 194 Ų | 194 | 136.4 Ų | 136.4 | 85% | 0.851 | 75% | 0.745 | S | S | * | * | | | | 172.3 | 131.8 | 127.9 | -100.9 | -87.1 | 0 | 0 | 0 | 107.4 | | |
| 665 | L | 34.1 | Very low | 34.5 | Very low | 100 Ų | 100 | 142.2 Ų | 142.2 | 52% | 0.524 | 75% | 0.752 | S | S | . | * | | | cis | 171.7 | 139.1 | -15.5 | -130.7 | 93.9 | 0 | 0 | 0 | 103.2 | I663 | I663-L665 HydrophobicContact CG2-CD1 3.41Å; I663-L665 VanDerWaalsContact CG2-CD1 3.41Å |
| 666 | Y | 32.7 | Very low | 34.2 | Very low | 205 Ų | 205 | 139.5 Ų | 139.5 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | | | trans | 70.4 | 142.3 | 143.8 | -80.2 | -129.1 | 0 | 0 | 0 | 118.4 | | |
| 667 | S | 33.2 | Very low | 34.1 | Very low | 74 Ų | 74 | 137.5 Ų | 137.5 | 52% | 0.517 | 74% | 0.743 | S | S | . | * | | | cis | -159.6 | 133.1 | 8.3 | -100.1 | 0 | 0 | 0 | 0 | 105.7 | | |
| 668 | S | 29.2 | Very low | 33.9 | Very low | 105 Ų | 105 | 130.5 Ų | 130.5 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | | | | 52.9 | 119 | 82.3 | -57.9 | 0 | 0 | 0 | 0 | 113.2 | | |
| 669 | Y | 34.9 | Very low | 33.6 | Very low | 212 Ų | 212 | 129.2 Ų | 129.2 | 83% | 0.831 | 73% | 0.734 | S | S | * | * | | | trans | 161.8 | 92.2 | 141.5 | -84.4 | -66.1 | 0 | 0 | 0 | 106 | | |
| 670 | S | 33.8 | Very low | 33.3 | Very low | 104 Ų | 104 | 127.5 Ų | 127.5 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | | | | 105.1 | 107.7 | 84 | -77.4 | 0 | 0 | 0 | 0 | 111 | | |
| 671 | S | 30.4 | Very low | 32.9 | Very low | 111 Ų | 111 | 126.2 Ų | 126.2 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | | | trans | -53.5 | 165.1 | 141.8 | -46.4 | 0 | 0 | 0 | 0 | 109.1 | | |
| 672 | P | 37.1 | Very low | 32.7 | Very low | 115 Ų | 115 | 127.2 Ų | 127.2 | 75% | 0.747 | 74% | 0.738 | S | S | * | * | | | cis | -155.9 | -164.4 | 39.5 | 34.3 | -6.8 | 0 | 0 | 0 | 115.5 | | |
| 673 | S | 33.8 | Very low | 32.5 | Very low | 99 Ų | 99 | 129 Ų | 129 | 69% | 0.692 | 74% | 0.74 | S | S | * | * | | | trans | 98.1 | 93.4 | 145.7 | -59.7 | 0 | 0 | 0 | 0 | 119 | | |
| 674 | S | 30.7 | Very low | 33 | Very low | 112 Ų | 112 | 128.4 Ų | 128.4 | 78% | 0.783 | 75% | 0.745 | S | S | * | * | | | | 25.2 | 116.8 | 109.1 | -41.5 | 0 | 0 | 0 | 0 | 117.7 | | |
| 675 | R | 34.2 | Very low | 33.5 | Very low | 239 Ų | 239 | 124 Ų | 124 | 90% | 0.902 | 74% | 0.736 | S | S | * | * | | | trans | 175.8 | 104.7 | 142.6 | -97 | 164.9 | 110.9 | -169.7 | 1.1 | 106.9 | | |
| 676 | S | 30.2 | Very low | 33.7 | Very low | 94 Ų | 94 | 128.2 Ų | 128.2 | 66% | 0.657 | 75% | 0.753 | S | S | * | * | | | | 60.5 | 138.8 | 88.1 | 71.7 | 0 | 0 | 0 | 0 | 114 | | |
| 677 | S | 34.6 | Very low | 33.6 | Very low | 106 Ų | 106 | 123.4 Ų | 123.4 | 74% | 0.741 | 75% | 0.748 | S | S | * | * | | | trans | 85.5 | 100.9 | 169.3 | 86.2 | 0 | 0 | 0 | 0 | 113.1 | | |
| 678 | S | 32.8 | Very low | 33.8 | Very low | 100 Ų | 100 | 124.4 Ų | 124.4 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | | | | 83.3 | 124 | 81.1 | 65.4 | 0 | 0 | 0 | 0 | 113 | | |
| 679 | C | 28.8 | Very low | 34.1 | Very low | 122 Ų | 122 | 125.2 Ų | 125.2 | 82% | 0.824 | 75% | 0.754 | S | S | * | * | | | trans | 69.3 | 116 | 146 | -58.3 | 0 | 0 | 0 | 0 | 119.1 | | |
| 680 | S | 30.9 | Very low | 34.1 | Very low | 116 Ų | 116 | 120.3 Ų | 120.3 | 81% | 0.811 | 75% | 0.746 | S | S | * | * | | | | 71.2 | 119.8 | 121.7 | -169.8 | 0 | 0 | 0 | 0 | 118.7 | | |
| 681 | G | 29.7 | Very low | 34.1 | Very low | 54 Ų | 54 | 122.2 Ų | 122.2 | 56% | 0.557 | 75% | 0.748 | S | S | * | * | | | | 65.1 | 112.4 | 125.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 682 | N | 32.4 | Very low | 34.3 | Very low | 164 Ų | 164 | 121.9 Ų | 121.9 | 88% | 0.877 | 75% | 0.747 | S | S | * | * | | | | 161.5 | 129 | 104.5 | -76.6 | -29.1 | 0 | 0 | 0 | 109.8 | | |
| 683 | N | 32.1 | Very low | 34.2 | Very low | 153 Ų | 153 | 122.3 Ų | 122.3 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | | | trans | -43.8 | 164.9 | 146.9 | -66.2 | -38.8 | 0 | 0 | 0 | 109.9 | | |
| 684 | P | 43.4 | Very low | 34.3 | Very low | 118 Ų | 118 | 125.8 Ų | 125.8 | 77% | 0.766 | 75% | 0.752 | S | S | * | * | | | cis | -150.6 | -137.8 | 36.3 | 39 | -12.2 | 0 | 0 | 0 | 109.2 | | |
| 685 | P | 44.6 | Very low | 34.5 | Very low | 102 Ų | 102 | 125.6 Ų | 125.6 | 66% | 0.662 | 75% | 0.751 | S | S | * | * | | | cis | -128 | 168 | -17.5 | 28.5 | -4.4 | 0 | 0 | 0 | 113.4 | | |
| 686 | E | 36.9 | Very low | 34.5 | Very low | 188 Ų | 188 | 123 Ų | 123 | 88% | 0.879 | 75% | 0.749 | S | S | * | * | | | | 161.4 | 149.2 | 108.2 | -85.8 | 178.6 | 178.4 | 0 | 0 | 105.3 | | |
| 687 | C | 32.2 | Very low | 34.9 | Very low | 103 Ų | 103 | 122.9 Ų | 122.9 | 70% | 0.696 | 75% | 0.746 | S | S | * | * | | | cis | -170.3 | 138.3 | -2.9 | -179.7 | 0 | 0 | 0 | 0 | 104.1 | | |
| 688 | C | 36.1 | Very low | 34.7 | Very low | 96 Ų | 96 | 126.6 Ų | 126.6 | 65% | 0.649 | 75% | 0.752 | S | S | * | * | | | | 152.7 | 116 | 84.8 | -80.5 | 0 | 0 | 0 | 0 | 105 | | |
| 689 | T | 35.2 | Very low | 34.8 | Very low | 122 Ų | 122 | 130.7 Ų | 130.7 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | | | | 56.2 | 132.8 | 105.3 | 57.8 | 0 | 0 | 0 | 0 | 115.6 | | |
| 690 | T | 35.2 | Very low | 35 | Very low | 108 Ų | 108 | 130.5 Ų | 130.5 | 66% | 0.663 | 76% | 0.76 | S | S | * | * | | | cis | 177.6 | 148 | 19 | 20.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 691 | N | 33.9 | Very low | 34.9 | Very low | 144 Ų | 144 | 128.8 Ų | 128.8 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | | | trans | 84.1 | 122 | 138.9 | -61.5 | -6.6 | 0 | 0 | 0 | 124.5 | | |
| 692 | S | 34.3 | Very low | 35 | Very low | 105 Ų | 105 | 132 Ų | 132 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | | | | 118.2 | 111.6 | 128.4 | -63.8 | 0 | 0 | 0 | 0 | 119.1 | | |
| 693 | T | 35.6 | Very low | 35 | Very low | 124 Ų | 124 | 131.2 Ų | 131.2 | 76% | 0.761 | 78% | 0.776 | S | S | * | * | | | trans | 34.1 | 131.5 | 134.7 | 30.9 | 0 | 0 | 0 | 0 | 119.1 | | |
| 694 | E | 35.8 | Very low | 34.7 | Very low | 172 Ų | 172 | 132 Ų | 132 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | | 179.2 | 158.3 | 50.1 | -123.9 | 168 | -172.5 | 0 | 0 | 109.9 | | |
| 695 | S | 34.5 | Very low | 34.1 | Very low | 108 Ų | 108 | 133.1 Ų | 133.1 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | | | trans | 62.2 | 105.3 | 160.1 | 57.6 | 0 | 0 | 0 | 0 | 120.2 | | |
| 696 | E | 35.9 | Very low | 33.5 | Very low | 183 Ų | 183 | 137.7 Ų | 137.7 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | | | | 85.3 | 146.3 | 88.2 | -98.5 | -145.1 | 140.7 | 0 | 0 | 115.4 | | |
| 697 | P | 38 | Very low | 33.3 | Very low | 93 Ų | 93 | 133.9 Ų | 133.9 | 60% | 0.604 | 79% | 0.788 | S | S | * | * | | | cis | -141.3 | -177.9 | -48.3 | 38.3 | -18.7 | 0 | 0 | 0 | 114.7 | | |
| 698 | Q | 30.8 | Very low | 33 | Very low | 183 Ų | 183 | 138.6 Ų | 138.6 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | | | trans | 77.3 | 103.4 | 155.6 | -70.3 | -176.9 | -19.7 | 0 | 0 | 121.4 | | |
| 699 | Q | 33.4 | Very low | 32.7 | Very low | 186 Ų | 186 | 142.1 Ų | 142.1 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | | | | -173.9 | 120.7 | 113.3 | -104.7 | 176.8 | -13.8 | 0 | 0 | 112.5 | | |
| 700 | S | 34.3 | Very low | 32.3 | Very low | 118 Ų | 118 | 140.8 Ų | 140.8 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | | | trans | 17.7 | 133.4 | 146.8 | 44.1 | 0 | 0 | 0 | 0 | 120.3 | | |
| 701 | G | 29.3 | Very low | 31.8 | Very low | 80 Ų | 80 | 144.4 Ų | 144.4 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | | | cis | 131.6 | 71.1 | 14.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 702 | S | 30.8 | Very low | 31.6 | Very low | 122 Ų | 122 | 141.7 Ų | 141.7 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | | | trans | -157.7 | 128.9 | 166.7 | 55.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 703 | T | 31.6 | Very low | 31.2 | Very low | 147 Ų | 147 | 146.6 Ų | 146.6 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | | | trans | -132.2 | 120 | 174 | 29.5 | 0 | 0 | 0 | 0 | 109.2 | | |
| 704 | L | 27.4 | Very low | 30.9 | Very low | 169 Ų | 169 | 149.3 Ų | 149.3 | 89% | 0.885 | 81% | 0.811 | S | S | * | * | | | trans | -102.2 | 121.4 | 169.6 | -87.7 | 162.5 | 0 | 0 | 0 | 108.6 | | |
| 705 | T | 29.7 | Very low | 30.7 | Very low | 142 Ų | 142 | 144.2 Ų | 144.2 | 87% | 0.871 | 80% | 0.804 | S | S | * | * | | | trans | -177 | 103.5 | 147.1 | 11.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 706 | K | 33.2 | Very low | 30.3 | Very low | 198 Ų | 198 | 145.4 Ų | 145.4 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | | | trans | -148 | 111.8 | 154.9 | -79.6 | -165.3 | -178.1 | 172.6 | 0 | 107.5 | | |
| 707 | S | 31.8 | Very low | 29.8 | Very low | 108 Ų | 108 | 144.3 Ų | 144.3 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | | | | 86.5 | 121.1 | 89.8 | -70.7 | 0 | 0 | 0 | 0 | 112.7 | L709 | S707-L709 PolarHBondContact O-N 2.96Š|
| 708 | K | 27.1 | Very low | 29.3 | Very low | 202 Ų | 202 | 144.5 Ų | 144.5 | 88% | 0.878 | 81% | 0.809 | S | S | * | * | | | trans | -41.1 | 130.5 | 161 | -74.7 | 171.5 | 169.9 | 175.3 | 0 | 111 | | |
| 709 | L | 29.5 | Very low | 29 | Very low | 170 Ų | 170 | 143.8 Ų | 143.8 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | | | trans | -146.4 | 113.8 | 146.3 | -116.5 | 116.1 | 0 | 0 | 0 | 109.2 | S707 | S707-L709 PolarHBondContact O-N 2.96Š|
| 710 | S | 26.2 | Very low | 29 | Very low | 95 Ų | 95 | 141.1 Ų | 141.1 | 66% | 0.664 | 81% | 0.806 | S | S | * | * | | | trans | -71.1 | 137.3 | 167.6 | 114.4 | 0 | 0 | 0 | 0 | 108.7 | | |
| 711 | F | 24.7 | Very low | 28.7 | Very low | 183 Ų | 183 | 142.4 Ų | 142.4 | 80% | 0.803 | 80% | 0.799 | S | S | * | * | | | trans | 42.9 | 138.4 | 161.4 | -60.8 | -74.8 | 0 | 0 | 0 | 118.8 | | |
| 712 | P | 29.5 | Very low | 29 | Very low | 88 Ų | 88 | 148.2 Ų | 148.2 | 57% | 0.571 | 80% | 0.802 | S | S | * | * | | | | -130.5 | 132.8 | 100.8 | 35.5 | -28.7 | 0 | 0 | 0 | 113.4 | F714 | P712-F714 HydrophobicContact CB-CD2 3.09Å; P712-F714 HydrophobicContact CB-CE2 3.16Å; P712-F714 HydrophobicContact CB-CG 3.85Å; P712-F714 HydrophobicContact CB-CZ 4.02Å; P712-F714 HydrophobicContact CG-CD2 3.2Å; P712-F714 HydrophobicContact CG-CE2 3.45Å; P712-F714 VanDerWaalsContact CG-CE2 3.45Å; P712-F714 HydrophobicContact CG-CG 4.24Å; P712-F714 PolarHBondContact O-N 3Å |
| 713 | K | 26.4 | Very low | 28.9 | Very low | 208 Ų | 208 | 146.5 Ų | 146.5 | 90% | 0.904 | 78% | 0.783 | S | S | * | * | | | trans | -68.3 | 80.6 | 146.8 | -163.6 | 173.3 | -173.4 | 175 | 0 | 106.7 | | |
| 714 | F | 30.3 | Very low | 29.3 | Very low | 181 Ų | 181 | 147.1 Ų | 147.1 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | | | trans | -105.5 | 127.9 | 155.5 | -67.9 | -60.4 | 0 | 0 | 0 | 104.2 | P712 | P712-F714 HydrophobicContact CB-CD2 3.09Å; P712-F714 HydrophobicContact CB-CE2 3.16Å; P712-F714 HydrophobicContact CB-CG 3.85Å; P712-F714 HydrophobicContact CB-CZ 4.02Å; P712-F714 HydrophobicContact CG-CD2 3.2Å; P712-F714 HydrophobicContact CG-CE2 3.45Å; P712-F714 VanDerWaalsContact CG-CE2 3.45Å; P712-F714 HydrophobicContact CG-CG 4.24Å; P712-F714 PolarHBondContact O-N 3Å |
| 715 | G | 29.9 | Very low | 29.5 | Very low | 64 Ų | 64 | 147.9 Ų | 147.9 | 66% | 0.66 | 77% | 0.773 | S | S | * | * | | | cis | 138.1 | 118.4 | 32.1 | 0 | 0 | 0 | 0 | 0 | 102.8 | | |
| 716 | T | 26.1 | Very low | 29.8 | Very low | 133 Ų | 133 | 151.9 Ų | 151.9 | 82% | 0.816 | 77% | 0.774 | S | S | * | * | | | trans | -46.3 | 162.9 | 158.7 | -40 | 0 | 0 | 0 | 0 | 109.1 | | |
| 717 | I | 25.4 | Very low | 29.7 | Very low | 160 Ų | 160 | 149.2 Ų | 149.2 | 82% | 0.821 | 76% | 0.764 | S | S | * | * | | | trans | 88.2 | 121.1 | 179.3 | -36.7 | 143.9 | 0 | 0 | 0 | 109.9 | | |
| 718 | S | 27.7 | Very low | 29.8 | Very low | 98 Ų | 98 | 151.8 Ų | 151.8 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | | | cis | -158.3 | 141.4 | 43.9 | -157 | 0 | 0 | 0 | 0 | 111.3 | V720 | S718-V720 PolarHBondContact O-N 2.77Š|
| 719 | L | 25.7 | Very low | 30 | Very low | 167 Ų | 167 | 148.7 Ų | 148.7 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | | | trans | -41.6 | 130 | 145.6 | -73.4 | 144.9 | 0 | 0 | 0 | 109.3 | | |
| 720 | V | 32.4 | Very low | 30.3 | Very low | 131 Ų | 131 | 145.9 Ų | 145.9 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | | | trans | -131.7 | 100.9 | 152 | 174.9 | 0 | 0 | 0 | 0 | 106.1 | S718 K722 | S718-V720 PolarHBondContact O-N 2.77Å; V720-K722 PolarHBondContact O-N 2.62Å |
| 721 | E | 28.1 | Very low | 30.6 | Very low | 145 Ų | 145 | 149.7 Ų | 149.7 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | | | trans | -23.6 | 125.4 | 152 | -88.2 | 154.2 | 155.7 | 0 | 0 | 112.1 | | |
| 722 | K | 35.8 | Very low | 31.1 | Very low | 202 Ų | 202 | 148 Ų | 148 | 88% | 0.878 | 75% | 0.752 | S | S | * | * | | | trans | -104.6 | 87.9 | 134.4 | -86.1 | -167 | 172.2 | -176.7 | 0 | 107.1 | V720 D724 | V720-K722 PolarHBondContact O-N 2.62Å; K722-D724 PolarHBondContact O-N 3.04Å |
| 723 | D | 29.1 | Very low | 31.3 | Very low | 86 Ų | 86 | 151.5 Ų | 151.5 | 46% | 0.46 | 76% | 0.758 | S | S | . | * | | | trans | -50.3 | 111.8 | 149.9 | -68.9 | -48.6 | 0 | 0 | 0 | 108.3 | Y725 | D723-Y725 HydrophobicContact CB-CD2 4.24Š|
| 724 | D | 39.5 | Very low | 31.5 | Very low | 160 Ų | 160 | 146 Ų | 146 | 86% | 0.856 | 75% | 0.746 | S | S | * | * | | | trans | -132.2 | 84.4 | 143.6 | -85.5 | -40.1 | 0 | 0 | 0 | 106 | K722 Y726 | K722-D724 PolarHBondContact O-N 3.04Å; D724-Y726 PolarHBondContact O-N 2.97Å |
| 725 | Y | 31.6 | Very low | 31.8 | Very low | 184 Ų | 184 | 144.1 Ų | 144.1 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | | | trans | -43.7 | 126.3 | 157.6 | -84.7 | -110 | 0 | 0 | 0 | 109.9 | D723 | D723-Y725 HydrophobicContact CB-CD2 4.24Š|
| 726 | Y | 36.6 | Very low | 31.7 | Very low | 227 Ų | 227 | 148.8 Ų | 148.8 | 89% | 0.89 | 75% | 0.754 | S | S | * | * | | | | -159.9 | 106.6 | 125.7 | -112.7 | -78.2 | 0 | 0 | 0 | 108.6 | D724 | D724-Y726 PolarHBondContact O-N 2.97Š|
| 727 | E | 31.1 | Very low | 32 | Very low | 141 Ų | 141 | 150.1 Ų | 150.1 | 66% | 0.659 | 75% | 0.751 | S | S | * | * | | | trans | -53.8 | 143.7 | 166.4 | -62.7 | -159.1 | 156.1 | 0 | 0 | 111.3 | | |
| 728 | N | 34.4 | Very low | 32.2 | Very low | 163 Ų | 163 | 150.7 Ų | 150.7 | 87% | 0.872 | 75% | 0.748 | S | S | * | * | | | | -151 | 111.3 | 127.8 | -95.1 | -32.7 | 0 | 0 | 0 | 109.9 | | |
| 729 | E | 30.6 | Very low | 32.4 | Very low | 137 Ų | 137 | 154.8 Ų | 154.8 | 64% | 0.64 | 75% | 0.749 | S | S | * | * | | | trans | -48.3 | 141.8 | 170 | -52.3 | 174.1 | 110.5 | 0 | 0 | 113.3 | | |
| 730 | S | 34.8 | Very low | 32.5 | Very low | 111 Ų | 111 | 154.4 Ų | 154.4 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | | | | -175.6 | 100.1 | 125.4 | 14 | 0 | 0 | 0 | 0 | 108.3 | | |
| 731 | K | 33.3 | Very low | 32.6 | Very low | 175 Ų | 175 | 153.1 Ų | 153.1 | 76% | 0.761 | 73% | 0.733 | S | S | * | * | | | | 50 | 109.8 | 100 | -73.9 | 170.7 | 178.9 | 156.3 | 0 | 110.8 | | |
| 732 | E | 34.1 | Very low | 32.6 | Very low | 147 Ų | 147 | 152 Ų | 152 | 69% | 0.687 | 73% | 0.732 | S | S | * | * | | | | -163.3 | 131.5 | 78.4 | -96.2 | -172.1 | 130.1 | 0 | 0 | 114 | | |
| 733 | K | 35.1 | Very low | 32.6 | Very low | 161 Ų | 161 | 149.5 Ų | 149.5 | 70% | 0.7 | 73% | 0.728 | S | S | * | * | | | | 53.9 | 104.3 | 126.8 | -63.6 | 172.3 | -173.2 | 158.1 | 0 | 117.8 | | |
| 734 | S | 30.7 | Very low | 32.6 | Very low | 92 Ų | 92 | 149.5 Ų | 149.5 | 64% | 0.643 | 74% | 0.735 | S | S | * | * | | | | 58.9 | 110.6 | 82.2 | 76.3 | 0 | 0 | 0 | 0 | 114 | | |
| 735 | N | 35.1 | Very low | 32.4 | Very low | 143 Ų | 143 | 150.7 Ų | 150.7 | 77% | 0.765 | 73% | 0.733 | S | S | * | * | | | | 165.2 | 105.5 | 128.7 | -77.1 | -11.8 | 0 | 0 | 0 | 106.3 | | |
| 736 | N | 28.2 | Very low | 32.4 | Very low | 161 Ų | 161 | 151 Ų | 151 | 86% | 0.861 | 74% | 0.741 | S | S | * | * | | | | 31 | 87.6 | 92.8 | -79.8 | -10.5 | 0 | 0 | 0 | 112 | | |
| 737 | E | 33.1 | Very low | 32.3 | Very low | 161 Ų | 161 | 149.6 Ų | 149.6 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | | | trans | -155.3 | 125.7 | 134.6 | -127.7 | 167.1 | -176.1 | 0 | 0 | 113.3 | Y739 | E737-Y739 HydrophobicContact CB-CE2 4.44Å; E737-Y739 HydrophobicContact CG-CE2 4.44Å |
| 738 | K | 28.8 | Very low | 32.4 | Very low | 172 Ų | 172 | 153 Ų | 153 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | | | trans | -68.2 | 119.2 | 171.9 | 178.9 | -172.1 | -173.2 | -172.2 | 0 | 108.4 | F740 | K738-F740 HydrophobicContact CG-CD2 4.25Š|
| 739 | Y | 32.3 | Very low | 32.5 | Very low | 184 Ų | 184 | 148.7 Ų | 148.7 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | | | trans | -125.7 | 89 | 158 | -83.7 | -80.5 | 0 | 0 | 0 | 110 | E737 V741 | E737-Y739 HydrophobicContact CB-CE2 4.44Å; E737-Y739 HydrophobicContact CG-CE2 4.44Å; Y739-V741 HydrophobicContact CD1-CG2 4.46Å |
| 740 | F | 27.6 | Very low | 32.6 | Very low | 159 Ų | 159 | 151.2 Ų | 151.2 | 70% | 0.697 | 75% | 0.754 | S | S | * | * | | | trans | -59 | 129.3 | 142 | -90.5 | -102.5 | 0 | 0 | 0 | 107.6 | K738 | K738-F740 HydrophobicContact CG-CD2 4.25Š|
| 741 | V | 34.4 | Very low | 32.6 | Very low | 104 Ų | 104 | 152.2 Ų | 152.2 | 63% | 0.63 | 75% | 0.751 | S | S | * | * | | | trans | -136.9 | 88.4 | 150.7 | -177.4 | 0 | 0 | 0 | 0 | 107.6 | Y739 N743 | Y739-V741 HydrophobicContact CD1-CG2 4.46Å; V741-N743 HydrophobicContact CG1-CB 4.4Å |
| 742 | D | 29.2 | Very low | 32.6 | Very low | 123 Ų | 123 | 152.9 Ų | 152.9 | 66% | 0.658 | 76% | 0.757 | S | S | * | * | | | trans | -49.8 | 136.3 | 140.2 | -79.3 | -48.7 | 0 | 0 | 0 | 108.6 | | |
| 743 | N | 34.4 | Very low | 32.5 | Very low | 148 Ų | 148 | 149 Ų | 149 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | | | trans | -150.6 | 73.6 | 151.5 | -94.1 | -23.9 | 0 | 0 | 0 | 109.1 | V741 | V741-N743 HydrophobicContact CG1-CB 4.4Š|
| 744 | S | 30.3 | Very low | 32.5 | Very low | 87 Ų | 87 | 147.6 Ų | 147.6 | 61% | 0.608 | 76% | 0.761 | S | S | * | * | | | trans | -64.9 | 133.9 | 132.9 | 48 | 0 | 0 | 0 | 0 | 107.7 | | |
| 745 | F | 34.1 | Very low | 32.7 | Very low | 185 Ų | 185 | 150.9 Ų | 150.9 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | | | trans | 171.6 | 100.1 | 139.7 | -102.2 | -74.8 | 0 | 0 | 0 | 110.3 | | |
| 746 | E | 31.4 | Very low | 32.6 | Very low | 189 Ų | 189 | 149.8 Ų | 149.8 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | | | trans | -61.8 | 130.8 | 147.8 | -74.6 | -178.4 | 131.6 | 0 | 0 | 109.2 | | |
| 747 | K | 36.4 | Very low | 33 | Very low | 199 Ų | 199 | 150.8 Ų | 150.8 | 87% | 0.865 | 76% | 0.757 | S | S | * | * | | | trans | -163.4 | 132.8 | 142 | -119 | 171.5 | -177.1 | 175.2 | 0 | 113.7 | | |
| 748 | K | 32.5 | Very low | 32.8 | Very low | 213 Ų | 213 | 148 Ų | 148 | 93% | 0.926 | 75% | 0.751 | S | S | * | * | | | trans | -59.9 | 152.4 | 177.4 | -64.5 | 178 | 172.6 | 177.2 | 0 | 114.9 | | |
| 749 | G | 36.7 | Very low | 32.9 | Very low | 71 Ų | 71 | 149.3 Ų | 149.3 | 73% | 0.732 | 76% | 0.757 | S | S | * | * | | | trans | 175.4 | 93.6 | 150.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 750 | K | 32.3 | Very low | 32.6 | Very low | 190 Ų | 190 | 144.7 Ų | 144.7 | 83% | 0.826 | 75% | 0.752 | S | S | * | * | | | | 66.1 | 131.3 | 84.3 | -94.7 | -167.5 | 177.9 | -176 | 0 | 116.3 | | |
| 751 | N | 34.6 | Very low | 32.6 | Very low | 132 Ų | 132 | 143.5 Ų | 143.5 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | | | trans | 81.3 | 138.3 | 155.7 | -64 | 5 | 0 | 0 | 0 | 115.3 | | |
| 752 | E | 33.9 | Very low | 32.4 | Very low | 189 Ų | 189 | 143.7 Ų | 143.7 | 88% | 0.883 | 76% | 0.764 | S | S | * | * | | | cis | -160.8 | 158.7 | 14.7 | -104.4 | 153.7 | 162.7 | 0 | 0 | 104.2 | | |
| 753 | G | 31 | Very low | 32.3 | Very low | 65 Ų | 65 | 143.7 Ų | 143.7 | 67% | 0.67 | 77% | 0.768 | S | S | * | * | | | cis | 154.3 | 170.1 | 23.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 754 | V | 36.5 | Very low | 32.2 | Very low | 133 Ų | 133 | 144.2 Ų | 144.2 | 81% | 0.806 | 77% | 0.771 | S | S | * | * | | | trans | 88.5 | 89.2 | 172.1 | -164.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 755 | E | 33.7 | Very low | 32.2 | Very low | 161 Ų | 161 | 146.9 Ų | 146.9 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | | | | 72.5 | 135.1 | 85.4 | -76.5 | -172.4 | -155.5 | 0 | 0 | 112.8 | | |
| 756 | N | 33.9 | Very low | 31.9 | Very low | 119 Ų | 119 | 145.9 Ų | 145.9 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | | | cis | -164 | 142.3 | 17.8 | -98.4 | -39.9 | 0 | 0 | 0 | 110.6 | | |
| 757 | K | 35.7 | Very low | 31.9 | Very low | 182 Ų | 182 | 140.1 Ų | 140.1 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | | | trans | 48.4 | 117.5 | 136.1 | -73.2 | 174.5 | 177.2 | 170.5 | 0 | 123.5 | | |
| 758 | T | 28.2 | Very low | 31.6 | Very low | 103 Ų | 103 | 135 Ų | 135 | 63% | 0.632 | 77% | 0.767 | S | S | * | * | | | | 63.3 | 120.9 | 120.3 | -32.1 | 0 | 0 | 0 | 0 | 119.6 | | |
| 759 | F | 31.5 | Very low | 31.5 | Very low | 199 Ų | 199 | 131.7 Ų | 131.7 | 87% | 0.873 | 76% | 0.758 | S | S | * | * | | | | 177 | 150.9 | 113.1 | -101.3 | -78.1 | 0 | 0 | 0 | 112.6 | | |
| 760 | S | 27 | Very low | 31.2 | Very low | 88 Ų | 88 | 135.6 Ų | 135.6 | 62% | 0.615 | 76% | 0.762 | S | S | * | * | | | trans | -86.5 | 154.5 | -164.2 | -34.6 | 0 | 0 | 0 | 0 | 114.8 | | |
| 761 | T | 27.8 | Very low | 31.2 | Very low | 133 Ų | 133 | 131.6 Ų | 131.6 | 82% | 0.816 | 75% | 0.753 | S | S | * | * | | | trans | 60.4 | 139.2 | 141.6 | 49.5 | 0 | 0 | 0 | 0 | 122.6 | | |
| 762 | S | 28.4 | Very low | 31 | Very low | 108 Ų | 108 | 131.1 Ų | 131.1 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | | | trans | 86.2 | 113.3 | 150.8 | 83.6 | 0 | 0 | 0 | 0 | 119.9 | | |
| 763 | V | 28.9 | Very low | 31 | Very low | 124 Ų | 124 | 129.2 Ų | 129.2 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | | | | 47.1 | 109.4 | 129 | -168.8 | 0 | 0 | 0 | 0 | 116.3 | | |
| 764 | D | 32 | Very low | 31 | Very low | 158 Ų | 158 | 133.1 Ų | 133.1 | 85% | 0.845 | 76% | 0.755 | S | S | * | * | | | | -176 | 149.1 | 121.4 | -94.8 | -32.2 | 0 | 0 | 0 | 112.3 | | |
| 765 | N | 29.4 | Very low | 30.6 | Very low | 143 Ų | 143 | 130.7 Ų | 130.7 | 77% | 0.765 | 74% | 0.744 | S | S | * | * | | | trans | -68.3 | 158.6 | 175 | -81.7 | -43.4 | 0 | 0 | 0 | 112.8 | | |
| 766 | N | 28.8 | Very low | 30.5 | Very low | 164 Ų | 164 | 129.5 Ų | 129.5 | 88% | 0.877 | 74% | 0.743 | S | S | * | * | | | trans | 85 | 127.3 | 152.3 | -60 | -26 | 0 | 0 | 0 | 119.6 | | |
| 767 | G | 30.1 | Very low | 30.3 | Very low | 69 Ų | 69 | 130.7 Ų | 130.7 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | | | trans | 144.3 | 96.3 | 159.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 768 | A | 29.8 | Very low | 30.1 | Very low | 90 Ų | 90 | 130.5 Ų | 130.5 | 74% | 0.744 | 75% | 0.751 | S | S | * | * | | | | 78.8 | 130.8 | 90.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 769 | I | 30.4 | Very low | 30.1 | Very low | 144 Ų | 144 | 133.2 Ų | 133.2 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | | | cis | -179.3 | 154 | 25.7 | -107.8 | 163.2 | 0 | 0 | 0 | 109 | | |
| 770 | L | 31.3 | Very low | 30.2 | Very low | 153 Ų | 153 | 130.8 Ų | 130.8 | 80% | 0.801 | 75% | 0.752 | S | S | * | * | | | trans | 77.3 | 132.4 | 157.5 | -113.4 | 69.2 | 0 | 0 | 0 | 119 | | |
| 771 | T | 32.6 | Very low | 30.3 | Very low | 106 Ų | 106 | 133.2 Ų | 133.2 | 65% | 0.65 | 76% | 0.758 | S | S | * | * | | | cis | -164.8 | 121.1 | 24 | -41.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 772 | T | 30.3 | Very low | 30.5 | Very low | 122 Ų | 122 | 134.8 Ų | 134.8 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | | | trans | 53.7 | 133.1 | 137.1 | -20 | 0 | 0 | 0 | 0 | 119.5 | | |
| 773 | I | 34 | Very low | 30.4 | Very low | 150 Ų | 150 | 135.1 Ų | 135.1 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | | | cis | -155.3 | 125 | 41.8 | -65.1 | 161.1 | 0 | 0 | 0 | 111.6 | | |
| 774 | N | 30.4 | Very low | 30.3 | Very low | 146 Ų | 146 | 135.7 Ų | 135.7 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | | | trans | 21.1 | 147.7 | 142.5 | -95.2 | -0.5 | 0 | 0 | 0 | 121.8 | | |
| 775 | S | 28.5 | Very low | 30 | Very low | 83 Ų | 83 | 135.5 Ų | 135.5 | 58% | 0.58 | 76% | 0.756 | S | S | * | * | | | cis | 174.4 | 153.8 | -13.4 | -105 | 0 | 0 | 0 | 0 | 109.6 | | |
| 776 | N | 32.1 | Very low | 30 | Very low | 135 Ų | 135 | 133.2 Ų | 133.2 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | | | trans | 94 | 95.7 | 151.1 | -61.5 | -16.5 | 0 | 0 | 0 | 120.6 | | |
| 777 | N | 28.3 | Very low | 29.9 | Very low | 145 Ų | 145 | 132.5 Ų | 132.5 | 78% | 0.775 | 75% | 0.748 | S | S | * | * | | | | 38.6 | 119.2 | 111.4 | -63.8 | -18.6 | 0 | 0 | 0 | 118.8 | | |
| 778 | H | 31.5 | Very low | 29.9 | Very low | 178 Ų | 178 | 136.4 Ų | 136.4 | 82% | 0.824 | 75% | 0.751 | S | S | * | * | | | | -168.3 | 129.2 | 109.5 | -126.2 | -74.7 | 0 | 0 | 0 | 112.1 | | |
| 779 | H | 29.3 | Very low | 29.9 | Very low | 160 Ų | 160 | 138.3 Ų | 138.3 | 74% | 0.741 | 75% | 0.749 | S | S | * | * | | | trans | -66.3 | 137.8 | 158.6 | -115.5 | -55.4 | 0 | 0 | 0 | 108.4 | | |
| 780 | D | 33.1 | Very low | 29.7 | Very low | 148 Ų | 148 | 137.7 Ų | 137.7 | 79% | 0.791 | 75% | 0.747 | S | S | * | * | | | trans | -159.7 | 133.5 | 137.8 | -90.2 | -32.3 | 0 | 0 | 0 | 111.8 | | |
| 781 | N | 28.9 | Very low | 29.5 | Very low | 138 Ų | 138 | 137.3 Ų | 137.3 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | | | trans | -68.4 | 130 | 176.7 | -67.6 | -50.2 | 0 | 0 | 0 | 110.4 | | |
| 782 | N | 31.7 | Very low | 29.3 | Very low | 167 Ų | 167 | 142.5 Ų | 142.5 | 89% | 0.893 | 75% | 0.753 | S | S | * | * | | | trans | -154.5 | 143 | 153.2 | -94.8 | -31 | 0 | 0 | 0 | 110.3 | | |
| 783 | S | 27.7 | Very low | 29.1 | Very low | 114 Ų | 114 | 146.3 Ų | 146.3 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | | | trans | 85.1 | 85.7 | 170 | -142 | 0 | 0 | 0 | 0 | 117.9 | | |
| 784 | L | 26.5 | Very low | 28.9 | Very low | 137 Ų | 137 | 147.6 Ų | 147.6 | 72% | 0.717 | 76% | 0.761 | S | S | * | * | | | trans | -42.8 | 152.8 | 130.6 | -95.5 | 84.8 | 0 | 0 | 0 | 111.6 | | |
| 785 | E | 25.8 | Very low | 28.8 | Very low | 154 Ų | 154 | 146 Ų | 146 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | | | trans | 52.7 | 104 | 145.5 | -71.3 | 170.6 | 143.3 | 0 | 0 | 119 | | |
| 786 | S | 28.1 | Very low | 28.9 | Very low | 95 Ų | 95 | 147 Ų | 147 | 66% | 0.664 | 77% | 0.768 | S | S | * | * | | | trans | -124 | 125.5 | 135.8 | 52.7 | 0 | 0 | 0 | 0 | 105.4 | | |
| 787 | N | 27.1 | Very low | 28.8 | Very low | 148 Ų | 148 | 145.6 Ų | 145.6 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | | | cis | 43.1 | 61.9 | 23.8 | -77.8 | -26.2 | 0 | 0 | 0 | 112.8 | | |
| 788 | L | 31.3 | Very low | 28.9 | Very low | 151 Ų | 151 | 146.8 Ų | 146.8 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | | | trans | -127.9 | 94.9 | 150.7 | -78.1 | 161.6 | 0 | 0 | 0 | 103.3 | | |
| 789 | D | 28.7 | Very low | 28.8 | Very low | 130 Ų | 130 | 142.8 Ų | 142.8 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | | | | 48.4 | 110 | 59.1 | -117.3 | -4.5 | 0 | 0 | 0 | 113.5 | | |
| 790 | L | 26.5 | Very low | 28.9 | Very low | 132 Ų | 132 | 139.9 Ų | 139.9 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | | | trans | 69.9 | 116.6 | 148.6 | -70.6 | 147.8 | 0 | 0 | 0 | 119.8 | | |
| 791 | N | 27.9 | Very low | 28.8 | Very low | 145 Ų | 145 | 138.1 Ų | 138.1 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | | | trans | 72.2 | 135.1 | 139.5 | -74.1 | -49.3 | 0 | 0 | 0 | 119.5 | | |
| 792 | R | 27.1 | Very low | 28.9 | Very low | 215 Ų | 215 | 137.1 Ų | 137.1 | 81% | 0.811 | 76% | 0.764 | S | S | * | * | | | trans | 103.7 | 108.7 | 139.8 | -160.8 | 176.3 | -76.1 | -125.6 | 0.4 | 116.1 | | |
| 793 | R | 26.4 | Very low | 28.9 | Very low | 202 Ų | 202 | 135 Ų | 135 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | | | trans | 33.3 | 121.6 | 141.2 | -65.8 | 168.4 | 70.8 | 178.5 | 2.8 | 116.5 | | |
| 794 | L | 30.3 | Very low | 29.1 | Very low | 177 Ų | 177 | 136.7 Ų | 136.7 | 93% | 0.927 | 75% | 0.754 | S | S | * | * | | | trans | -142.7 | 104.3 | 136 | -76 | -179.1 | 0 | 0 | 0 | 110.9 | | |
| 795 | S | 27.5 | Very low | 29.1 | Very low | 112 Ų | 112 | 138.3 Ų | 138.3 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | | | trans | -64.8 | 136 | 148.6 | -44 | 0 | 0 | 0 | 0 | 108.1 | | |
| 796 | S | 31.2 | Very low | 29.6 | Very low | 103 Ų | 103 | 136.6 Ų | 136.6 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | | | trans | -121.9 | 111.2 | 166.3 | 46 | 0 | 0 | 0 | 0 | 106.9 | | |
| 797 | S | 29.2 | Very low | 29.8 | Very low | 107 Ų | 107 | 140 Ų | 140 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | | | | 99.1 | 127.9 | 102.2 | -60.3 | 0 | 0 | 0 | 0 | 108.8 | | |
| 798 | I | 30.9 | Very low | 30 | Very low | 169 Ų | 169 | 140.5 Ų | 140.5 | 87% | 0.867 | 77% | 0.765 | S | S | * | * | | | | -161.4 | 149.9 | 86.7 | -65.1 | 133.1 | 0 | 0 | 0 | 110.4 | | |
| 799 | S | 29.9 | Very low | 30.2 | Very low | 94 Ų | 94 | 142.3 Ų | 142.3 | 66% | 0.657 | 77% | 0.769 | S | S | * | * | | | trans | 90 | 93.7 | 155.9 | 170 | 0 | 0 | 0 | 0 | 119 | | |
| 800 | S | 30.6 | Very low | 30.5 | Very low | 99 Ų | 99 | 144.1 Ų | 144.1 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | | | | 60.4 | 117 | 91.5 | 53.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 801 | S | 31.4 | Very low | 31.1 | Very low | 112 Ų | 112 | 144 Ų | 144 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | | | | -172.8 | 165.7 | 67.8 | -73.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 802 | P | 31.6 | Very low | 31.3 | Very low | 116 Ų | 116 | 143.1 Ų | 143.1 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | | | trans | -99.5 | 173.4 | -162.2 | 38.5 | -31.4 | 0 | 0 | 0 | 114.2 | | |
| 803 | T | 31.3 | Very low | 31.8 | Very low | 123 Ų | 123 | 140.7 Ų | 140.7 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | | | | 154.5 | 117.7 | 125.8 | -57.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 804 | M | 31.1 | Very low | 32.2 | Very low | 149 Ų | 149 | 137.9 Ų | 137.9 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | | | trans | 56 | 117 | 146.2 | -55.3 | -88.5 | -82.1 | 0 | 0 | 121.5 | I806 | M804-I806 HydrophobicContact CE-CD1 3.73Å; M804-I806 HydrophobicContact CE-CG1 4.49Å |
| 805 | N | 27.9 | Very low | 32.6 | Very low | 171 Ų | 171 | 137.1 Ų | 137.1 | 91% | 0.914 | 76% | 0.762 | S | S | * | * | | | trans | -101.4 | 119.7 | 155.4 | -79.4 | -14.9 | 0 | 0 | 0 | 109.1 | | |
| 806 | I | 35.2 | Very low | 32.9 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 61% | 0.61 | 76% | 0.762 | S | S | * | * | | | trans | -146 | 135.7 | 166.4 | -64.8 | -174.5 | 0 | 0 | 0 | 109.5 | M804 | M804-I806 HydrophobicContact CE-CD1 3.73Å; M804-I806 HydrophobicContact CE-CG1 4.49Å |
| 807 | E | 33.2 | Very low | 33 | Very low | 167 Ų | 167 | 139.1 Ų | 139.1 | 78% | 0.78 | 76% | 0.757 | S | S | * | * | | | trans | 65.3 | 110.4 | 159.4 | -73 | 157 | -171.3 | 0 | 0 | 119.1 | | |
| 808 | I | 31.6 | Very low | 33.1 | Very low | 158 Ų | 158 | 140.3 Ų | 140.3 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | | | | 56.3 | 108.7 | 82.7 | -55.2 | 171.3 | 0 | 0 | 0 | 113.3 | | |
| 809 | E | 35.4 | Very low | 33.3 | Very low | 188 Ų | 188 | 135.6 Ų | 135.6 | 88% | 0.879 | 75% | 0.753 | S | S | * | * | | | trans | -174 | 126.5 | 130.3 | -109.4 | 177.7 | 167 | 0 | 0 | 110.5 | | |
| 810 | E | 33.3 | Very low | 33.2 | Very low | 169 Ų | 169 | 138 Ų | 138 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | | | trans | -68.8 | 164.4 | 166.2 | -81.4 | -171.9 | 152.9 | 0 | 0 | 111.2 | | |
| 811 | P | 39.5 | Very low | 33.4 | Very low | 128 Ų | 128 | 142.6 Ų | 142.6 | 83% | 0.831 | 77% | 0.767 | S | S | * | * | | | | -136.2 | 141.7 | 119 | 34 | -21.1 | 0 | 0 | 0 | 114.4 | | |
| 812 | I | 33.6 | Very low | 33.4 | Very low | 128 Ų | 128 | 141.4 Ų | 141.4 | 66% | 0.656 | 76% | 0.758 | S | S | * | * | | | trans | -54 | 142.4 | 172.4 | -61.3 | 151.9 | 0 | 0 | 0 | 111.9 | E814 | I812-E814 HydrophobicContact CG2-CG 4.17Š|
| 813 | D | 36.6 | Very low | 33.6 | Very low | 163 Ų | 163 | 142.5 Ų | 142.5 | 87% | 0.872 | 76% | 0.758 | S | S | * | * | | | trans | -147.3 | 133.9 | 132.4 | -118.7 | -22 | 0 | 0 | 0 | 112.7 | | |
| 814 | E | 34.8 | Very low | 33.8 | Very low | 143 Ų | 143 | 143.8 Ų | 143.8 | 67% | 0.668 | 76% | 0.76 | S | S | * | * | | | trans | -73.7 | 153.8 | -166.5 | -60.7 | 172.9 | 150.4 | 0 | 0 | 113.3 | I812 | I812-E814 HydrophobicContact CG2-CG 4.17Š|
| 815 | K | 39.1 | Very low | 34 | Very low | 161 Ų | 161 | 139.6 Ų | 139.6 | 70% | 0.7 | 76% | 0.755 | S | S | * | * | | | | 156.6 | 121.5 | 108.9 | -82.3 | -164.5 | 175.5 | -178.6 | 0 | 112.5 | | |
| 816 | H | 33.7 | Very low | 34.3 | Very low | 167 Ų | 167 | 136.2 Ų | 136.2 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | | | trans | 55.9 | 136.4 | 132.4 | -66.4 | -68.4 | 0 | 0 | 0 | 118.3 | | |
| 817 | S | 33.2 | Very low | 34.3 | Very low | 90 Ų | 90 | 135.5 Ų | 135.5 | 63% | 0.629 | 74% | 0.742 | S | S | * | * | | | cis | -175.6 | 139.2 | 13.9 | -153.8 | 0 | 0 | 0 | 0 | 107.2 | | |
| 818 | T | 30.9 | Very low | 34.5 | Very low | 133 Ų | 133 | 137 Ų | 137 | 82% | 0.816 | 74% | 0.743 | S | S | * | * | | | trans | 37.9 | 131.5 | 135.5 | 53.4 | 0 | 0 | 0 | 0 | 122 | | |
| 819 | G | 34.5 | Very low | 34.5 | Very low | 69 Ų | 69 | 134.1 Ų | 134.1 | 71% | 0.711 | 74% | 0.736 | S | S | * | * | | | trans | 144.8 | 74.9 | 156.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 820 | D | 29 | Very low | 34.6 | Very low | 145 Ų | 145 | 131.9 Ų | 131.9 | 78% | 0.775 | 73% | 0.73 | S | S | * | * | | | | 34.9 | 116.1 | 89.7 | -75.3 | -22.4 | 0 | 0 | 0 | 113.5 | | |
| 821 | F | 35.1 | Very low | 34.6 | Very low | 195 Ų | 195 | 130.5 Ų | 130.5 | 86% | 0.855 | 73% | 0.728 | S | S | * | * | | | trans | 172.3 | 98.5 | 133.5 | -90.2 | -69.4 | 0 | 0 | 0 | 107.2 | | |
| 822 | S | 31.3 | Very low | 34.2 | Very low | 87 Ų | 87 | 129 Ų | 129 | 61% | 0.608 | 72% | 0.72 | S | S | * | * | | | | 76.2 | 139.8 | 79.6 | -57.5 | 0 | 0 | 0 | 0 | 114.6 | | |
| 823 | N | 34.8 | Very low | 34.3 | Very low | 139 Ų | 139 | 129.3 Ų | 129.3 | 74% | 0.743 | 73% | 0.728 | S | S | * | * | | | trans | 78.1 | 138.6 | 157.7 | -66.4 | -14.3 | 0 | 0 | 0 | 116 | | |
| 824 | N | 36.7 | Very low | 34 | Very low | 150 Ų | 150 | 128.5 Ų | 128.5 | 80% | 0.802 | 72% | 0.722 | S | S | * | * | | | cis | -176 | 150.2 | 3.2 | -97.5 | -23.2 | 0 | 0 | 0 | 102.3 | | |
| 825 | G | 34.8 | Very low | 33.6 | Very low | 62 Ų | 62 | 126.6 Ų | 126.6 | 64% | 0.639 | 73% | 0.725 | S | S | * | * | | | cis | 169.1 | 145.9 | 8.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 826 | S | 33.2 | Very low | 33.3 | Very low | 100 Ų | 100 | 124 Ų | 124 | 70% | 0.699 | 73% | 0.727 | S | S | * | * | | | trans | 63.9 | 117.7 | 136.8 | 98.9 | 0 | 0 | 0 | 0 | 118.6 | | |
| 827 | N | 36.4 | Very low | 33 | Very low | 103 Ų | 103 | 121.8 Ų | 121.8 | 55% | 0.551 | 73% | 0.725 | S | S | * | * | | | | 167.2 | 119.5 | 84.8 | -97 | -20.6 | 0 | 0 | 0 | 115.2 | | |
| 828 | Y | 35.6 | Very low | 32.8 | Very low | 200 Ų | 200 | 124.4 Ų | 124.4 | 78% | 0.784 | 73% | 0.73 | S | S | * | * | | | trans | 68 | 137.1 | 152.8 | -40.8 | -62.3 | 0 | 0 | 0 | 118.2 | | |
| 829 | S | 33.5 | Very low | 32.9 | Very low | 96 Ų | 96 | 125.5 Ų | 125.5 | 67% | 0.671 | 73% | 0.728 | S | S | * | * | | | cis | -167.7 | 138.1 | 10.5 | -147 | 0 | 0 | 0 | 0 | 111 | | |
| 830 | L | 36.3 | Very low | 32.7 | Very low | 142 Ų | 142 | 128.5 Ų | 128.5 | 74% | 0.743 | 73% | 0.728 | S | S | * | * | | | trans | 73.1 | 113.6 | 142.3 | -66.7 | 162.9 | 0 | 0 | 0 | 123 | | |
| 831 | D | 34 | Very low | 33 | Very low | 140 Ų | 140 | 130.1 Ų | 130.1 | 75% | 0.749 | 73% | 0.728 | S | S | * | * | | | trans | 73.8 | 105 | 138.9 | -68.7 | -23.9 | 0 | 0 | 0 | 120.2 | | |
| 832 | S | 31.2 | Very low | 32.7 | Very low | 97 Ų | 97 | 127.8 Ų | 127.8 | 68% | 0.678 | 72% | 0.724 | S | S | * | * | | | | 75.9 | 116 | 69.8 | -164.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 833 | T | 35 | Very low | 32.8 | Very low | 133 Ų | 133 | 131.8 Ų | 131.8 | 82% | 0.816 | 73% | 0.733 | S | S | * | * | | | | -164.7 | 140.5 | 60.7 | -45.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 834 | I | 29.6 | Very low | 32.6 | Very low | 146 Ų | 146 | 131.3 Ų | 131.3 | 75% | 0.749 | 73% | 0.73 | S | S | * | * | | | trans | -86.9 | 153.2 | -178 | -83.3 | 168 | 0 | 0 | 0 | 111.3 | | |
| 835 | S | 27.6 | Very low | 32.3 | Very low | 103 Ų | 103 | 128.8 Ų | 128.8 | 72% | 0.72 | 72% | 0.723 | S | S | * | * | | | trans | 40.1 | 134.4 | 148.3 | -59.1 | 0 | 0 | 0 | 0 | 122.1 | | |
| 836 | S | 32.3 | Very low | 32 | Very low | 108 Ų | 108 | 130 Ų | 130 | 76% | 0.755 | 72% | 0.722 | S | S | * | * | | | | 170.1 | 118.1 | 104.3 | 38.7 | 0 | 0 | 0 | 0 | 107.6 | | |
| 837 | V | 27.9 | Very low | 31.9 | Very low | 119 Ų | 119 | 132.4 Ų | 132.4 | 72% | 0.721 | 73% | 0.726 | S | S | * | * | | | | 61.7 | 123.1 | 74.5 | 176.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 838 | I | 29 | Very low | 31.8 | Very low | 146 Ų | 146 | 134.6 Ų | 134.6 | 75% | 0.749 | 74% | 0.738 | S | S | * | * | | | trans | 98.5 | 114.8 | 151.4 | -79.6 | 164.3 | 0 | 0 | 0 | 119.3 | | |
| 839 | M | 33.2 | Very low | 31.4 | Very low | 156 Ų | 156 | 132.6 Ų | 132.6 | 77% | 0.768 | 74% | 0.739 | S | S | * | * | | | trans | 85.9 | 107.9 | 142.5 | -60.8 | -81.1 | -123.5 | 0 | 0 | 118.2 | | |
| 840 | N | 29.6 | Very low | 31.4 | Very low | 131 Ų | 131 | 136 Ų | 136 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | | | | 85.6 | 135.2 | 70 | -162.9 | 14.8 | 0 | 0 | 0 | 112.4 | | |
| 841 | K | 35.5 | Very low | 31.1 | Very low | 180 Ų | 180 | 135.3 Ų | 135.3 | 78% | 0.783 | 74% | 0.742 | S | S | * | * | | | trans | 95.1 | 98.9 | 176.4 | -57.2 | 174.8 | 179.9 | 178.3 | 0 | 114.1 | | |
| 842 | N | 29.4 | Very low | 31 | Very low | 146 Ų | 146 | 134.6 Ų | 134.6 | 78% | 0.781 | 75% | 0.748 | S | S | * | * | | | | 69.3 | 134.3 | 80.2 | -93.1 | 10.7 | 0 | 0 | 0 | 113.1 | | |
| 843 | E | 32.4 | Very low | 31.1 | Very low | 170 Ų | 170 | 138.6 Ų | 138.6 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | | | trans | 78.9 | 144 | 162.9 | -62.6 | 176.9 | -178.5 | 0 | 0 | 116.4 | | |
| 844 | I | 32.4 | Very low | 30.8 | Very low | 130 Ų | 130 | 139.9 Ų | 139.9 | 67% | 0.667 | 76% | 0.756 | S | S | * | * | | | cis | -169.4 | 139.2 | -11.6 | -108.3 | 162 | 0 | 0 | 0 | 102 | | |
| 845 | S | 28.9 | Very low | 31 | Very low | 96 Ų | 96 | 140.7 Ų | 140.7 | 67% | 0.671 | 76% | 0.756 | S | S | * | * | | | trans | 51.4 | 149.7 | 152 | 74.7 | 0 | 0 | 0 | 0 | 123.1 | | |
| 846 | S | 29.9 | Very low | 31.2 | Very low | 88 Ų | 88 | 142.7 Ų | 142.7 | 62% | 0.615 | 76% | 0.759 | S | S | * | * | | | trans | 81.5 | 111.3 | 139.2 | 64.6 | 0 | 0 | 0 | 0 | 117.9 | | |
| 847 | L | 29.5 | Very low | 31.2 | Very low | 150 Ų | 150 | 145.7 Ų | 145.7 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | | | | 55.7 | 103.8 | 129 | -75.8 | 122.1 | 0 | 0 | 0 | 115 | | |
| 848 | D | 35.1 | Very low | 31.5 | Very low | 150 Ų | 150 | 147 Ų | 147 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | | | | -172.2 | 123.1 | 95.7 | -88.1 | -33.6 | 0 | 0 | 0 | 110.9 | E850 | D848-E850 PolarHBondContact O-N 3.36Š|
| 849 | I | 28.4 | Very low | 31.7 | Very low | 157 Ų | 157 | 145.8 Ų | 145.8 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | | | trans | -65.1 | 117.4 | 163.4 | -64.5 | 161.9 | 0 | 0 | 0 | 105.9 | | |
| 850 | E | 33 | Very low | 31.7 | Very low | 167 Ų | 167 | 144.1 Ų | 144.1 | 78% | 0.78 | 76% | 0.759 | S | S | * | * | | | trans | -169.4 | 110.6 | 133.4 | -112.6 | -175.5 | 143.6 | 0 | 0 | 113 | D848 | D848-E850 PolarHBondContact O-N 3.36Š|
| 851 | N | 29.2 | Very low | 32 | Very low | 128 Ų | 128 | 143.7 Ų | 143.7 | 68% | 0.684 | 76% | 0.756 | S | S | * | * | | | | 36.7 | 116.9 | 121.9 | -65.2 | -24.9 | 0 | 0 | 0 | 118.2 | | |
| 852 | S | 33.2 | Very low | 31.9 | Very low | 126 Ų | 126 | 141.2 Ų | 141.2 | 88% | 0.881 | 75% | 0.752 | S | S | * | * | | | trans | -152 | 79.8 | 139.1 | -74.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 853 | H | 31.4 | Very low | 32.2 | Very low | 181 Ų | 181 | 139.4 Ų | 139.4 | 84% | 0.838 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 136.6 | 167.3 | -152.2 | 21.9 | 0 | 0 | 0 | 110.6 | Q855 | H853-Q855 PolarHBondContact O-N 3.46Å; H853-Q855 VanDerWaalsContact O-N 3.16Å |
| 854 | I | 29.9 | Very low | 32.3 | Very low | 159 Ų | 159 | 137.8 Ų | 137.8 | 82% | 0.815 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 119 | 169.8 | -68.8 | 172.5 | 0 | 0 | 0 | 108.5 | N856 | I854-N856 PolarHBondContact O-N 2.98Š|
| 855 | Q | 33.4 | Very low | 32.4 | Very low | 164 Ų | 164 | 139 Ų | 139 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 125.9 | 166.5 | -70.5 | 174.5 | -17.3 | 0 | 0 | 110.5 | H853 | H853-Q855 PolarHBondContact O-N 3.46Å; H853-Q855 VanDerWaalsContact O-N 3.16Å |
| 856 | N | 32 | Very low | 32.5 | Very low | 145 Ų | 145 | 144.3 Ų | 144.3 | 78% | 0.775 | 76% | 0.762 | S | S | * | * | | | | 174.8 | 103.6 | 94.3 | -108.3 | -27 | 0 | 0 | 0 | 108.8 | I854 | I854-N856 PolarHBondContact O-N 2.98Š|
| 857 | N | 32.4 | Very low | 32.7 | Very low | 171 Ų | 171 | 145.6 Ų | 145.6 | 91% | 0.914 | 77% | 0.771 | S | S | * | * | | | trans | -148.8 | 121.3 | 149.5 | -114.5 | -10.5 | 0 | 0 | 0 | 111.3 | | |
| 858 | N | 34 | Very low | 32.8 | Very low | 145 Ų | 145 | 147.1 Ų | 147.1 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | | | trans | -73.2 | 129.6 | 173 | -110.9 | -22.3 | 0 | 0 | 0 | 110 | | |
| 859 | N | 33.4 | Very low | 32.7 | Very low | 121 Ų | 121 | 146.1 Ų | 146.1 | 65% | 0.647 | 77% | 0.766 | S | S | * | * | | | trans | 66.2 | 116.5 | 136.9 | -79 | -16.7 | 0 | 0 | 0 | 121.4 | | |
| 860 | N | 33.7 | Very low | 32.8 | Very low | 121 Ų | 121 | 147.1 Ų | 147.1 | 65% | 0.647 | 77% | 0.767 | S | S | * | * | | | | 69.7 | 134.7 | 122.7 | -68.4 | -10.9 | 0 | 0 | 0 | 117.4 | | |
| 861 | N | 35.4 | Very low | 32.6 | Very low | 122 Ų | 122 | 145.9 Ų | 145.9 | 65% | 0.652 | 77% | 0.77 | S | S | * | * | | | cis | -169.7 | 146.8 | 7.3 | -114.7 | -19.9 | 0 | 0 | 0 | 108.6 | | |
| 862 | N | 33.8 | Very low | 32.6 | Very low | 128 Ų | 128 | 143.1 Ų | 143.1 | 68% | 0.684 | 77% | 0.772 | S | S | * | * | | | trans | 74.6 | 115.5 | 138.6 | -86.6 | -8.3 | 0 | 0 | 0 | 123.7 | | |
| 863 | T | 34.8 | Very low | 32.7 | Very low | 108 Ų | 108 | 147.1 Ų | 147.1 | 66% | 0.663 | 77% | 0.774 | S | S | * | * | | | | 74.2 | 132 | 124.4 | 60.1 | 0 | 0 | 0 | 0 | 118.1 | | |
| 864 | N | 34.1 | Very low | 32.5 | Very low | 137 Ų | 137 | 148 Ų | 148 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | | | cis | -158.8 | 142.9 | 17.3 | -91.7 | -29.4 | 0 | 0 | 0 | 110.6 | | |
| 865 | N | 34.2 | Very low | 32.5 | Very low | 155 Ų | 155 | 146.6 Ų | 146.6 | 83% | 0.829 | 78% | 0.778 | S | S | * | * | S | Bend | trans | 60 | 94.8 | 152.4 | -64.6 | -15.8 | 0 | 0 | 0 | 121.1 | | |
| 866 | K | 32 | Very low | 32.2 | Very low | 207 Ų | 207 | 143.4 Ų | 143.4 | 90% | 0.9 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 58.3 | 79.9 | 154.6 | -84.7 | -179.6 | 172.4 | 177.2 | 0 | 116.7 | K868 | K866-K868 PolarHBondContact O-N 2.9Š|
| 867 | S | 33.1 | Very low | 32.1 | Very low | 116 Ų | 116 | 144.3 Ų | 144.3 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | | | trans | -32.9 | 111.6 | 173.4 | 50.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 868 | K | 33 | Very low | 32 | Very low | 181 Ų | 181 | 139.9 Ų | 139.9 | 79% | 0.787 | 76% | 0.76 | S | S | * | * | | | | 68.8 | 104 | 70.5 | -77.1 | -170.9 | 173.4 | 177.4 | 0 | 114 | K866 | K866-K868 PolarHBondContact O-N 2.9Š|
| 869 | D | 31.6 | Very low | 31.7 | Very low | 130 Ų | 130 | 142.4 Ų | 142.4 | 70% | 0.695 | 77% | 0.767 | S | S | * | * | | | | 52.6 | 113.8 | 112.1 | -57.5 | -20.8 | 0 | 0 | 0 | 117.3 | | |
| 870 | E | 30.5 | Very low | 31.5 | Very low | 178 Ų | 178 | 145.8 Ų | 145.8 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | | | | 46.5 | 149.3 | 117.9 | -67.9 | -165.8 | 141 | 0 | 0 | 119.9 | | |
| 871 | V | 30.5 | Very low | 31.2 | Very low | 140 Ų | 140 | 144.5 Ų | 144.5 | 85% | 0.848 | 78% | 0.777 | S | S | * | * | | | trans | 95 | 87.9 | 162.8 | -163.1 | 0 | 0 | 0 | 0 | 115.1 | | |
| 872 | G | 28.7 | Very low | 30.9 | Very low | 70 Ų | 70 | 147.6 Ų | 147.6 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | | | | 84.7 | 82.1 | 109.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 873 | K | 34.4 | Very low | 30.6 | Very low | 210 Ų | 210 | 149.7 Ų | 149.7 | 91% | 0.913 | 79% | 0.793 | S | S | * | * | | | trans | -127.9 | 100 | 147.2 | -72.1 | -168.2 | 179.5 | 179.6 | 0 | 110.3 | C875 | K873-C875 PolarHBondContact O-N 3.48Š|
| 874 | K | 27.6 | Very low | 30.2 | Very low | 199 Ų | 199 | 152.7 Ų | 152.7 | 87% | 0.865 | 80% | 0.799 | S | S | * | * | | | trans | -34 | 114.1 | 160.2 | -79.9 | 171.1 | 167.7 | 175.8 | 0 | 111 | | |
| 875 | C | 29.3 | Very low | 29.9 | Very low | 131 Ų | 131 | 153.3 Ų | 153.3 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | | | trans | -111.5 | 113.1 | 137.8 | -164.1 | 0 | 0 | 0 | 0 | 106.6 | K873 | K873-C875 PolarHBondContact O-N 3.48Š|
| 876 | T | 26.8 | Very low | 29.5 | Very low | 97 Ų | 97 | 152.1 Ų | 152.1 | 60% | 0.595 | 79% | 0.79 | S | S | * | * | | | trans | -84.4 | 163.8 | -174.4 | -49.3 | 0 | 0 | 0 | 0 | 108.7 | | |
| 877 | I | 31.8 | Very low | 29.4 | Very low | 164 Ų | 164 | 149.2 Ų | 149.2 | 84% | 0.841 | 78% | 0.779 | S | S | * | * | | | trans | 101.6 | 124.2 | 161.7 | -50 | 156.1 | 0 | 0 | 0 | 112.9 | | |
| 878 | A | 29.4 | Very low | 29.2 | Very low | 78 Ų | 78 | 149 Ų | 149 | 65% | 0.645 | 77% | 0.769 | S | S | * | * | | | cis | -170.7 | 133.7 | -23.3 | 0 | 0 | 0 | 0 | 0 | 104.8 | K880 | A878-K880 PolarHBondContact O-N 2.97Š|
| 879 | Q | 27.7 | Very low | 29.2 | Very low | 197 Ų | 197 | 149.8 Ų | 149.8 | 92% | 0.921 | 77% | 0.773 | S | S | * | * | | | trans | -50.5 | 130.7 | 148.3 | -80.8 | 174.3 | -59.6 | 0 | 0 | 108.5 | | |
| 880 | K | 29.5 | Very low | 29 | Very low | 192 Ų | 192 | 149.8 Ų | 149.8 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | | | trans | -165.1 | 108.2 | 149.8 | -108.7 | 169.3 | -179.2 | -174.5 | 0 | 107 | A878 | A878-K880 PolarHBondContact O-N 2.97Š|
| 881 | S | 27.8 | Very low | 28.9 | Very low | 94 Ų | 94 | 148.1 Ų | 148.1 | 66% | 0.657 | 77% | 0.77 | S | S | * | * | | | | 74.2 | 114.6 | 86.5 | -170.1 | 0 | 0 | 0 | 0 | 110.7 | Q883 | S881-Q883 PolarHBondContact O-N 3.46Š|
| 882 | Q | 27.6 | Very low | 29.2 | Very low | 187 Ų | 187 | 150.2 Ų | 150.2 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | | | trans | -37.5 | 121.7 | 147.5 | -68.3 | 172.4 | -17 | 0 | 0 | 109.2 | | |
| 883 | Q | 27.9 | Very low | 29.2 | Very low | 173 Ų | 173 | 154.4 Ų | 154.4 | 81% | 0.808 | 77% | 0.771 | S | S | * | * | | | trans | -175.4 | 114.1 | 150.2 | -112.5 | 171.9 | -9.5 | 0 | 0 | 111.8 | S881 | S881-Q883 PolarHBondContact O-N 3.46Š|
| 884 | H | 26.7 | Very low | 29.2 | Very low | 171 Ų | 171 | 152.5 Ų | 152.5 | 79% | 0.792 | 77% | 0.765 | S | S | * | * | | | trans | 6.3 | 120.1 | 138.6 | -73.4 | -92.7 | 0 | 0 | 0 | 118.9 | | |
| 885 | H | 27.5 | Very low | 29.4 | Very low | 150 Ų | 150 | 150 Ų | 150 | 69% | 0.694 | 76% | 0.756 | S | S | * | * | | | trans | -168.8 | 106 | 136.8 | -134.6 | 53.3 | 0 | 0 | 0 | 106.9 | | |
| 886 | I | 27.2 | Very low | 29.5 | Very low | 130 Ų | 130 | 152.2 Ų | 152.2 | 67% | 0.667 | 75% | 0.753 | S | S | * | * | | | | 38.6 | 104.3 | 78.1 | -47.4 | 178.7 | 0 | 0 | 0 | 111.2 | | |
| 887 | Q | 29.2 | Very low | 29.5 | Very low | 145 Ų | 145 | 155.4 Ų | 155.4 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | | | | 172.6 | 130.3 | 123.8 | -98.2 | 177.1 | 1 | 0 | 0 | 111.8 | | |
| 888 | N | 28.1 | Very low | 29.5 | Very low | 111 Ų | 111 | 155 Ų | 155 | 59% | 0.594 | 76% | 0.756 | S | S | * | * | | | trans | 66.1 | 121.9 | 148.3 | -58.8 | -27.7 | 0 | 0 | 0 | 115.6 | | |
| 889 | F | 32.6 | Very low | 29.4 | Very low | 198 Ų | 198 | 158.5 Ų | 158.5 | 87% | 0.868 | 76% | 0.758 | S | S | * | * | | | | -145 | 127.8 | 53.3 | -91.8 | -94.8 | 0 | 0 | 0 | 112.2 | | |
| 890 | N | 27.4 | Very low | 29.5 | Very low | 130 Ų | 130 | 156.1 Ų | 156.1 | 70% | 0.695 | 75% | 0.751 | S | S | * | * | | | trans | -44 | 141.2 | 154.7 | -72.4 | -32 | 0 | 0 | 0 | 111.1 | | |
| 891 | N | 29.7 | Very low | 29.4 | Very low | 143 Ų | 143 | 151.2 Ų | 151.2 | 77% | 0.765 | 74% | 0.737 | S | S | * | * | | | | 174.2 | 145.7 | 106.5 | -87.4 | -33.2 | 0 | 0 | 0 | 111.2 | | |
| 892 | Q | 36.2 | Very low | 29.3 | Very low | 184 Ų | 184 | 154.5 Ų | 154.5 | 86% | 0.86 | 75% | 0.747 | S | S | * | * | | | trans | 82.4 | 84.3 | 168.4 | -51.3 | -167.5 | -14.9 | 0 | 0 | 114.7 | | |
| 893 | H | 29.5 | Very low | 29.4 | Very low | 159 Ų | 159 | 148.7 Ų | 148.7 | 74% | 0.736 | 74% | 0.738 | S | S | * | * | | | | 54.7 | 101.9 | 55 | -92.2 | -75.5 | 0 | 0 | 0 | 114.8 | | |
| 894 | H | 34.3 | Very low | 29.3 | Very low | 170 Ų | 170 | 148.7 Ų | 148.7 | 79% | 0.787 | 74% | 0.74 | S | S | * | * | | | | 175 | 104 | 114.1 | -98.3 | -26.4 | 0 | 0 | 0 | 110 | | |
| 895 | H | 30.7 | Very low | 29.5 | Very low | 145 Ų | 145 | 147.7 Ų | 147.7 | 67% | 0.671 | 74% | 0.74 | S | S | * | * | | | | 62.8 | 105.6 | 96.9 | -89.7 | -15.5 | 0 | 0 | 0 | 115.5 | | |
| 896 | Q | 31.7 | Very low | 29.6 | Very low | 179 Ų | 179 | 148 Ų | 148 | 84% | 0.836 | 75% | 0.747 | S | S | * | * | | | | -154.2 | 100.3 | 118 | -110 | 178.5 | 28.1 | 0 | 0 | 110.4 | | |
| 897 | Q | 26.2 | Very low | 29.7 | Very low | 163 Ų | 163 | 146 Ų | 146 | 76% | 0.762 | 75% | 0.75 | S | S | * | * | | | trans | -83.8 | 129.3 | 149 | -86.9 | 174.8 | -1.4 | 0 | 0 | 107.1 | | |
| 898 | Q | 32.8 | Very low | 29.7 | Very low | 156 Ų | 156 | 147.8 Ų | 147.8 | 73% | 0.729 | 76% | 0.758 | S | S | * | * | | | trans | -142.7 | 100.5 | 150.9 | -68.8 | -170.7 | -2.7 | 0 | 0 | 103.7 | | |
| 899 | H | 27.1 | Very low | 30 | Very low | 151 Ų | 151 | 149.6 Ų | 149.6 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | | | | 45.9 | 121.2 | 69.6 | -109.3 | -73.6 | 0 | 0 | 0 | 112.5 | | |
| 900 | I | 30 | Very low | 29.9 | Very low | 148 Ų | 148 | 145.4 Ų | 145.4 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | | | trans | 148.1 | 88.9 | 150.6 | -71.9 | 151.7 | 0 | 0 | 0 | 106 | | |
| 901 | T | 26.9 | Very low | 30 | Very low | 89 Ų | 89 | 146.4 Ų | 146.4 | 55% | 0.546 | 76% | 0.764 | S | S | . | * | | | | 55.5 | 121.5 | 72.6 | 69.4 | 0 | 0 | 0 | 0 | 115.7 | | |
| 902 | N | 26.6 | Very low | 30.1 | Very low | 162 Ų | 162 | 145.4 Ų | 145.4 | 87% | 0.866 | 75% | 0.754 | S | S | * | * | | | trans | 91.2 | 136.1 | 141.6 | -58.2 | -13.2 | 0 | 0 | 0 | 120.4 | | |
| 903 | G | 28.8 | Very low | 29.7 | Very low | 66 Ų | 66 | 142.9 Ų | 142.9 | 68% | 0.68 | 75% | 0.746 | S | S | * | * | | | trans | 119.3 | 70.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 904 | M | 26.7 | Very low | 29.9 | Very low | 173 Ų | 173 | 141.6 Ų | 141.6 | 85% | 0.852 | 75% | 0.749 | S | S | * | * | | | | 34.9 | 109.3 | 81.7 | -76.2 | 173.8 | 73.4 | 0 | 0 | 111.8 | | |
| 905 | N | 31.1 | Very low | 29.5 | Very low | 149 Ų | 149 | 146.1 Ų | 146.1 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | | | trans | 178 | 96.3 | 131.6 | -79.6 | -20.5 | 0 | 0 | 0 | 109 | | |
| 906 | D | 28.1 | Very low | 29.6 | Very low | 156 Ų | 156 | 143.9 Ų | 143.9 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | | | | 46.1 | 148.3 | 123.9 | -65 | -22 | 0 | 0 | 0 | 123.7 | | |
| 907 | A | 30.7 | Very low | 29.3 | Very low | 89 Ų | 89 | 143.9 Ų | 143.9 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | | | trans | 84.7 | 94.5 | 157.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 908 | E | 29.2 | Very low | 29.5 | Very low | 183 Ų | 183 | 146.6 Ų | 146.6 | 86% | 0.855 | 77% | 0.769 | S | S | * | * | | | | 51.3 | 106.1 | 84.6 | -71 | -156.6 | 167.2 | 0 | 0 | 112.6 | | |
| 909 | D | 32.7 | Very low | 29.5 | Very low | 148 Ų | 148 | 148.2 Ų | 148.2 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | | | | -172.9 | 108.2 | 120.7 | -97.7 | -36.9 | 0 | 0 | 0 | 112.8 | | |
| 910 | T | 32.3 | Very low | 29.6 | Very low | 111 Ų | 111 | 151.4 Ų | 151.4 | 68% | 0.681 | 78% | 0.779 | S | S | * | * | | | | 71.9 | 110.9 | 119.8 | -46.9 | 0 | 0 | 0 | 0 | 120.5 | | |
| 911 | L | 29.5 | Very low | 29.5 | Very low | 151 Ų | 151 | 150.7 Ų | 150.7 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | | | trans | -43 | 145 | 162.9 | -72.1 | 114 | 0 | 0 | 0 | 114.2 | | |
| 912 | H | 30.7 | Very low | 29.7 | Very low | 121 Ų | 121 | 151.5 Ų | 151.5 | 56% | 0.56 | 79% | 0.791 | S | S | * | * | | | | -169.4 | 141.3 | 118.7 | -110.7 | -78.1 | 0 | 0 | 0 | 114.1 | D444 | D444-H912 IonicContact OD1-CD2 2.62Å; D444-H912 PolarHBondContact OD1-CD2 3.32Å; D444-H912 IonicContact OD1-CG 2.9Å; D444-H912 IonicContact OD2-CD2 2.98Å; D444-H912 PolarHBondContact OD2-CD2 3.49Å; D444-H912 IonicContact OD2-CE1 3.97Å; D444-H912 IonicContact OD2-CG 3.47Å; D444-H912 IonicContact OD2-NE2 3.1Å; D444-H912 PolarHBondContact OD2-NE2 2.92Å; D444-H912 VanDerWaalsContact OD2-NE2 3.1Å |
| 913 | N | 29.1 | Very low | 29.7 | Very low | 131 Ų | 131 | 146.9 Ų | 146.9 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | | | trans | 63.8 | 98.9 | 151.6 | -60.1 | -24.4 | 0 | 0 | 0 | 120.6 | | |
| 914 | V | 32.5 | Very low | 29.8 | Very low | 132 Ų | 132 | 149.8 Ų | 149.8 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | | | | -158 | 108.2 | 114.4 | 176.6 | 0 | 0 | 0 | 0 | 108.5 | S916 | V914-S916 PolarHBondContact O-N 3.14Š|
| 915 | W | 26.9 | Very low | 30 | Very low | 265 Ų | 265 | 147 Ų | 147 | 100% | 1.004 | 76% | 0.763 | S | S | * | * | | | trans | -62.4 | 109.5 | 163.9 | -97.5 | -35.2 | 0 | 0 | 0 | 109.6 | | |
| 916 | S | 31.6 | Very low | 29.9 | Very low | 99 Ų | 99 | 143.5 Ų | 143.5 | 69% | 0.692 | 75% | 0.751 | S | S | * | * | | | trans | -129.8 | 117.8 | 160.7 | -80.5 | 0 | 0 | 0 | 0 | 108.2 | V914 R918 | V914-S916 PolarHBondContact O-N 3.14Å; S916-R918 VanDerWaalsContact C-N 3.32Å; S916-R918 PolarHBondContact O-N 2.93Å |
| 917 | L | 26.8 | Very low | 29.9 | Very low | 179 Ų | 179 | 142.1 Ų | 142.1 | 94% | 0.937 | 75% | 0.75 | S | S | * | * | | | trans | -56.6 | 89.3 | 178.3 | -85.6 | 95.9 | 0 | 0 | 0 | 110.6 | K919 | L917-K919 PolarHBondContact O-N 3.1Š|
| 918 | R | 30.2 | Very low | 29.9 | Very low | 220 Ų | 220 | 148.9 Ų | 148.9 | 83% | 0.83 | 76% | 0.757 | S | S | * | * | | | trans | -84.4 | 100.6 | 162.7 | -167.6 | 173.5 | -72.4 | -159 | -0.8 | 107.3 | S916 R920 | S916-R918 VanDerWaalsContact C-N 3.32Å; S916-R918 PolarHBondContact O-N 2.93Å; R918-R920 VanDerWaalsContact C-N 3.34Å; R918-R920 PolarHBondContact O-N 3.12Å |
| 919 | K | 31.5 | Very low | 30 | Very low | 190 Ų | 190 | 144.2 Ų | 144.2 | 83% | 0.826 | 75% | 0.745 | S | S | * | * | | | trans | -55.3 | 96 | 167.4 | -77.3 | -161.1 | 177.1 | -174.8 | 0 | 109 | L917 V921 | L917-K919 PolarHBondContact O-N 3.1Å; K919-V921 PolarHBondContact O-N 3.08Å |
| 920 | R | 30.3 | Very low | 29.7 | Very low | 217 Ų | 217 | 143 Ų | 143 | 82% | 0.819 | 74% | 0.743 | S | S | * | * | | | trans | -79 | 105.6 | 163.4 | -64.5 | -172.2 | -151.4 | 153.1 | 5.2 | 106.7 | R918 S922 | R918-R920 VanDerWaalsContact C-N 3.34Å; R918-R920 PolarHBondContact O-N 3.12Å; R920-S922 PolarHBondContact O-N 3.31Å |
| 921 | V | 27.8 | Very low | 29.7 | Very low | 134 Ų | 134 | 145.8 Ų | 145.8 | 81% | 0.812 | 75% | 0.753 | S | S | * | * | | | trans | -69.7 | 84.5 | 165.9 | -173.8 | 0 | 0 | 0 | 0 | 106.1 | K919 S923 | K919-V921 PolarHBondContact O-N 3.08Å; V921-S923 VanDerWaalsContact C-N 3.33Å; V921-S923 PolarHBondContact O-N 3.48Å |
| 922 | S | 30 | Very low | 30 | Very low | 106 Ų | 106 | 147 Ų | 147 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | | | trans | -79.9 | 90.1 | 165.2 | -71.6 | 0 | 0 | 0 | 0 | 107.3 | R920 D924 | R920-S922 PolarHBondContact O-N 3.31Å; S922-D924 PolarHBondContact O-N 3.37Å |
| 923 | S | 28.2 | Very low | 30.1 | Very low | 65 Ų | 65 | 152.2 Ų | 152.2 | 46% | 0.455 | 77% | 0.766 | S | S | . | * | | | trans | -57.1 | 107.2 | 146.9 | 51 | 0 | 0 | 0 | 0 | 107 | V921 | V921-S923 VanDerWaalsContact C-N 3.33Å; V921-S923 PolarHBondContact O-N 3.48Å |
| 924 | D | 30.4 | Very low | 30.1 | Very low | 127 Ų | 127 | 151.4 Ų | 151.4 | 68% | 0.679 | 77% | 0.77 | S | S | * | * | | | trans | 172.3 | 131.2 | 139.4 | -81.6 | -23.4 | 0 | 0 | 0 | 109.5 | S922 | S922-D924 PolarHBondContact O-N 3.37Š|
| 925 | V | 31.1 | Very low | 30.1 | Very low | 113 Ų | 113 | 155.8 Ų | 155.8 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | | | trans | 81.9 | 100.2 | 168.5 | -160.6 | 0 | 0 | 0 | 0 | 116.7 | | |
| 926 | S | 27.9 | Very low | 30.2 | Very low | 77 Ų | 77 | 149 Ų | 149 | 54% | 0.538 | 77% | 0.766 | S | S | . | * | | | trans | -45.8 | 132.2 | 162.8 | -171 | 0 | 0 | 0 | 0 | 111.9 | W928 | S926-W928 PolarHBondContact O-N 3.46Š|
| 927 | P | 29 | Very low | 30.1 | Very low | 126 Ų | 126 | 149.4 Ų | 149.4 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | 11 | -179.9 | -15.9 | 29.2 | 0 | 0 | 0 | 115.5 | | |
| 928 | W | 30.8 | Very low | 30.2 | Very low | 231 Ų | 231 | 148.2 Ų | 148.2 | 88% | 0.875 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.7 | 13.7 | -172 | -80.3 | 69.2 | 0 | 0 | 0 | 115.6 | S926 | S926-W928 PolarHBondContact O-N 3.46Š|
| 929 | S | 30.1 | Very low | 30.2 | Very low | 86 Ų | 86 | 144.2 Ų | 144.2 | 60% | 0.601 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -143.6 | 43.4 | -175.7 | 72.6 | 0 | 0 | 0 | 0 | 116.8 | | |
| 930 | T | 28.1 | Very low | 30.1 | Very low | 122 Ų | 122 | 139.7 Ų | 139.7 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | | | trans | -152.1 | 79.8 | 165.1 | 48.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 931 | L | 30.6 | Very low | 29.8 | Very low | 170 Ų | 170 | 136 Ų | 136 | 89% | 0.89 | 75% | 0.752 | S | S | * | * | | | trans | -157.9 | 65 | 146 | -159.9 | 71.1 | 0 | 0 | 0 | 111.6 | | |
| 932 | K | 35.8 | Very low | 29.8 | Very low | 177 Ų | 177 | 134.5 Ų | 134.5 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | | | trans | -122.9 | 82.1 | 156.3 | -79.7 | -159.6 | 178.4 | -176.1 | 0 | 108.8 | | |
| 933 | R | 33.6 | Very low | 29.7 | Very low | 230 Ų | 230 | 137.3 Ų | 137.3 | 87% | 0.868 | 75% | 0.753 | S | S | * | * | | | trans | -143.9 | 102.1 | 158.3 | -101.8 | -178.6 | -176.9 | -179.2 | 0.5 | 109.4 | | |
| 934 | S | 29.8 | Very low | 29.8 | Very low | 113 Ų | 113 | 139 Ų | 139 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | | | trans | 48.2 | 96.9 | 130.3 | -39.3 | 0 | 0 | 0 | 0 | 117.9 | | |
| 935 | R | 31.7 | Very low | 30 | Very low | 225 Ų | 225 | 140.1 Ų | 140.1 | 85% | 0.849 | 77% | 0.771 | S | S | * | * | | | trans | -134.2 | 105 | 138.4 | -66.6 | -172.5 | 85.2 | 179.5 | 5 | 108 | V937 | R935-V937 PolarHBondContact O-N 3.25Š|
| 936 | S | 28.3 | Very low | 30 | Very low | 123 Ų | 123 | 141.7 Ų | 141.7 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | | | trans | -63.4 | 122.5 | 150.2 | 57.9 | 0 | 0 | 0 | 0 | 106.5 | | |
| 937 | V | 30.9 | Very low | 30.3 | Very low | 106 Ų | 106 | 147 Ų | 147 | 64% | 0.642 | 79% | 0.789 | S | S | * | * | | | trans | -143.3 | 119.9 | 155.6 | -177.9 | 0 | 0 | 0 | 0 | 106.4 | R935 | R935-V937 PolarHBondContact O-N 3.25Š|
| 938 | L | 27.5 | Very low | 30.4 | Very low | 154 Ų | 154 | 147.5 Ų | 147.5 | 81% | 0.806 | 79% | 0.789 | S | S | * | * | | | trans | -39.2 | 128.7 | 165.3 | -65.7 | 129.7 | 0 | 0 | 0 | 112.3 | | |
| 939 | T | 30.6 | Very low | 30.4 | Very low | 136 Ų | 136 | 141.2 Ų | 141.2 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | | | trans | -147.4 | 87.6 | 141.2 | 50.6 | 0 | 0 | 0 | 0 | 108 | | |
| 940 | S | 28.8 | Very low | 30.3 | Very low | 96 Ų | 96 | 143 Ų | 143 | 67% | 0.671 | 79% | 0.788 | S | S | * | * | | | trans | -48 | 132.6 | 154.5 | 38.3 | 0 | 0 | 0 | 0 | 110.6 | S942 | S940-S942 PolarHBondContact O-N 3.27Š|
| 941 | T | 25.8 | Very low | 30.4 | Very low | 140 Ų | 140 | 143.7 Ų | 143.7 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | | | trans | -4 | 105.4 | 147.3 | 52.4 | 0 | 0 | 0 | 0 | 115.1 | | |
| 942 | S | 26.9 | Very low | 30.2 | Very low | 101 Ų | 101 | 141.3 Ų | 141.3 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | | | trans | -164.4 | 154.1 | 138.2 | 75.6 | 0 | 0 | 0 | 0 | 109.8 | S940 | S940-S942 PolarHBondContact O-N 3.27Š|
| 943 | L | 28.7 | Very low | 30 | Very low | 166 Ų | 166 | 139.2 Ų | 139.2 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | | | trans | 90.8 | 59.3 | 169.9 | -56.6 | 142.6 | 0 | 0 | 0 | 115.4 | | |
| 944 | S | 29.1 | Very low | 29.8 | Very low | 100 Ų | 100 | 133.2 Ų | 133.2 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | | | trans | -74.7 | 145.9 | 133.4 | 64.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 945 | N | 34.6 | Very low | 30.1 | Very low | 150 Ų | 150 | 132.6 Ų | 132.6 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | | | trans | 82.9 | 90.2 | 159 | -60.6 | -3.9 | 0 | 0 | 0 | 117.5 | | |
| 946 | D | 32.2 | Very low | 30 | Very low | 147 Ų | 147 | 128.8 Ų | 128.8 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | | | | -24.2 | 133.9 | 127.3 | -85 | -41.5 | 0 | 0 | 0 | 114.9 | | |
| 947 | K | 32.8 | Very low | 30.4 | Very low | 187 Ų | 187 | 130.2 Ų | 130.2 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | | | trans | 64 | 109.4 | 151.4 | -60.1 | -176.5 | -178.9 | -176.2 | 0 | 117.5 | | |
| 948 | V | 31.3 | Very low | 30.6 | Very low | 138 Ų | 138 | 133.2 Ų | 133.2 | 84% | 0.836 | 77% | 0.765 | S | S | * | * | | | | 163.1 | 122.3 | 101.4 | 166.9 | 0 | 0 | 0 | 0 | 108.2 | | |
| 949 | S | 30.4 | Very low | 30.7 | Very low | 98 Ų | 98 | 130.8 Ų | 130.8 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | | | trans | -72.3 | 148.3 | 173.6 | -60.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 950 | T | 27.9 | Very low | 30.9 | Very low | 123 Ų | 123 | 128.7 Ų | 128.7 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | | | trans | 78.2 | 121.7 | 143.3 | 51.5 | 0 | 0 | 0 | 0 | 121.6 | | |
| 951 | N | 30.1 | Very low | 31 | Very low | 137 Ų | 137 | 132.5 Ų | 132.5 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | | | trans | 98.6 | 94.1 | 134.7 | -69.6 | -1.3 | 0 | 0 | 0 | 119.9 | | |
| 952 | T | 27.5 | Very low | 31.4 | Very low | 120 Ų | 120 | 133.8 Ų | 133.8 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | | | | 48 | 126.3 | 117.5 | 56 | 0 | 0 | 0 | 0 | 119.7 | | |
| 953 | V | 30.9 | Very low | 31.7 | Very low | 133 Ų | 133 | 133.6 Ų | 133.6 | 81% | 0.806 | 75% | 0.748 | S | S | * | * | | | | 161.9 | 108.1 | 123.9 | 157.9 | 0 | 0 | 0 | 0 | 106.2 | | |
| 954 | S | 29.2 | Very low | 32 | Very low | 104 Ų | 104 | 135.4 Ų | 135.4 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | | | | 70.9 | 133.4 | 103.1 | -140.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 955 | S | 35.9 | Very low | 32.2 | Very low | 100 Ų | 100 | 137.9 Ų | 137.9 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | | | cis | -177.1 | 138.9 | 25.4 | 9.7 | 0 | 0 | 0 | 0 | 107.4 | | |
| 956 | N | 31.5 | Very low | 32.1 | Very low | 146 Ų | 146 | 137.1 Ų | 137.1 | 78% | 0.781 | 74% | 0.741 | S | S | * | * | | | | 52.9 | 118.4 | 125.3 | -102.6 | 26.9 | 0 | 0 | 0 | 120.3 | | |
| 957 | E | 36.7 | Very low | 32.1 | Very low | 153 Ų | 153 | 136.1 Ų | 136.1 | 72% | 0.715 | 74% | 0.735 | S | S | * | * | | | | 165.9 | 129.1 | 101.1 | -96.1 | 179.6 | 171.2 | 0 | 0 | 116.1 | | |
| 958 | F | 34.9 | Very low | 32.1 | Very low | 168 Ų | 168 | 133.8 Ų | 133.8 | 74% | 0.737 | 73% | 0.732 | S | S | * | * | | | trans | 70.6 | 102.7 | 140.7 | -72.3 | -66.8 | 0 | 0 | 0 | 124.4 | | |
| 959 | C | 29 | Very low | 32.3 | Very low | 103 Ų | 103 | 134.1 Ų | 134.1 | 70% | 0.696 | 73% | 0.729 | S | S | * | * | | | | 85 | 128.5 | 102.2 | -102.6 | 0 | 0 | 0 | 0 | 125.2 | | |
| 960 | S | 34.4 | Very low | 32.4 | Very low | 93 Ų | 93 | 136.6 Ų | 136.6 | 65% | 0.65 | 73% | 0.734 | S | S | * | * | | | trans | 82.1 | 112.9 | 138.1 | -48.3 | 0 | 0 | 0 | 0 | 117.8 | | |
| 961 | E | 31.4 | Very low | 32.7 | Very low | 175 Ų | 175 | 136.9 Ų | 136.9 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | | | | 65.7 | 115.3 | 66.9 | -154.7 | 143.8 | -149.7 | 0 | 0 | 109.7 | | |
| 962 | E | 35 | Very low | 32.8 | Very low | 167 Ų | 167 | 133.5 Ų | 133.5 | 78% | 0.78 | 74% | 0.738 | S | S | * | * | | | | -170.5 | 132.8 | 81.2 | -77.8 | 170 | -162.6 | 0 | 0 | 109.4 | | |
| 963 | V | 32.8 | Very low | 32.9 | Very low | 98 Ų | 98 | 135.7 Ų | 135.7 | 59% | 0.594 | 74% | 0.742 | S | S | * | * | | | | 60.5 | 120.5 | 103.4 | -167.6 | 0 | 0 | 0 | 0 | 116.1 | | |
| 964 | Y | 35.3 | Very low | 33 | Very low | 204 Ų | 204 | 139.9 Ų | 139.9 | 80% | 0.8 | 75% | 0.745 | S | S | * | * | | | | 166 | 102.8 | 121.3 | -94.1 | -75 | 0 | 0 | 0 | 112.8 | | |
| 965 | Q | 32.3 | Very low | 33 | Very low | 151 Ų | 151 | 140.9 Ų | 140.9 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | | | | 39.9 | 140.8 | 122.7 | -123.8 | 103.7 | 15.5 | 0 | 0 | 123.7 | | |
| 966 | L | 33.2 | Very low | 32.7 | Very low | 134 Ų | 134 | 140.8 Ų | 140.8 | 70% | 0.702 | 74% | 0.737 | S | S | * | * | | | trans | 94.7 | 104.4 | 140.7 | -70.1 | 154.3 | 0 | 0 | 0 | 119.7 | | |
| 967 | D | 31.9 | Very low | 32.8 | Very low | 126 Ų | 126 | 140.3 Ų | 140.3 | 67% | 0.674 | 74% | 0.735 | S | S | * | * | | | | 62.1 | 126.8 | 111 | -65.1 | -0.1 | 0 | 0 | 0 | 121.7 | | |
| 968 | D | 32.4 | Very low | 32.5 | Very low | 139 Ų | 139 | 140.1 Ų | 140.1 | 74% | 0.743 | 74% | 0.738 | S | S | * | * | | | trans | 82.1 | 145.9 | 134.8 | -67.3 | -25.1 | 0 | 0 | 0 | 121.8 | | |
| 969 | D | 35.6 | Very low | 32.5 | Very low | 145 Ų | 145 | 144.1 Ų | 144.1 | 78% | 0.775 | 75% | 0.749 | S | S | * | * | | | trans | 90.9 | 92.9 | 157.9 | -57.3 | -27.4 | 0 | 0 | 0 | 119.4 | | |
| 970 | D | 32.8 | Very low | 32.6 | Very low | 149 Ų | 149 | 142.4 Ų | 142.4 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | | | | 45.7 | 106 | 106.9 | -153.5 | 19.1 | 0 | 0 | 0 | 116.4 | | |
| 971 | C | 34 | Very low | 32.7 | Very low | 129 Ų | 129 | 147.6 Ų | 147.6 | 87% | 0.872 | 76% | 0.759 | S | S | * | * | | | trans | -178.4 | 125.5 | 137.3 | -96.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 972 | G | 32.5 | Very low | 32.9 | Very low | 67 Ų | 67 | 144.1 Ų | 144.1 | 69% | 0.691 | 75% | 0.75 | S | S | * | * | | | trans | -79.4 | 178.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 973 | M | 29.7 | Very low | 32.9 | Very low | 165 Ų | 165 | 143.8 Ų | 143.8 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | | | trans | 69.7 | 146 | 156 | -60 | -63.2 | -156.5 | 0 | 0 | 117.8 | | |
| 974 | Y | 32.5 | Very low | 32.8 | Very low | 222 Ų | 222 | 143.9 Ų | 143.9 | 87% | 0.871 | 75% | 0.753 | S | S | * | * | | | trans | 76 | 140.6 | 172.2 | -51.5 | -78.6 | 0 | 0 | 0 | 114.5 | | |
| 975 | N | 29.4 | Very low | 32.8 | Very low | 124 Ų | 124 | 143 Ų | 143 | 66% | 0.663 | 75% | 0.753 | S | S | * | * | | | cis | -177.4 | 140.7 | -14.9 | -170.4 | 16.1 | 0 | 0 | 0 | 101.5 | | |
| 976 | T | 30.1 | Very low | 32.7 | Very low | 98 Ų | 98 | 140.6 Ų | 140.6 | 60% | 0.601 | 75% | 0.753 | S | S | * | * | | | trans | 47.7 | 134.6 | 149.3 | 52.2 | 0 | 0 | 0 | 0 | 121.8 | | |
| 977 | N | 32.3 | Very low | 32.8 | Very low | 137 Ų | 137 | 141.4 Ų | 141.4 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | | | trans | 105 | 103.4 | 147.1 | -54.9 | -27.8 | 0 | 0 | 0 | 117.8 | | |
| 978 | D | 31.7 | Very low | 32.8 | Very low | 148 Ų | 148 | 142.6 Ų | 142.6 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | | | | 37.5 | 113.9 | 118.1 | -72.4 | -20.8 | 0 | 0 | 0 | 119.1 | | |
| 979 | R | 34.3 | Very low | 32.9 | Very low | 253 Ų | 253 | 140.1 Ų | 140.1 | 96% | 0.955 | 76% | 0.755 | S | S | * | * | | | trans | 171.7 | 102.3 | 143 | -92.4 | 158.2 | -164.3 | -156.1 | 7.1 | 105.1 | | |
| 980 | G | 31.6 | Very low | 32.7 | Very low | 66 Ų | 66 | 143.1 Ų | 143.1 | 68% | 0.68 | 76% | 0.761 | S | S | * | * | | | cis | 97.4 | 101.4 | 47.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 981 | F | 35.2 | Very low | 32.6 | Very low | 202 Ų | 202 | 143.1 Ų | 143.1 | 89% | 0.886 | 76% | 0.761 | S | S | * | * | | | trans | -166.7 | 93 | 151 | -103.3 | -79.7 | 0 | 0 | 0 | 106.6 | | |
| 982 | V | 36.9 | Very low | 32.5 | Very low | 103 Ų | 103 | 144 Ų | 144 | 62% | 0.624 | 76% | 0.757 | S | S | * | * | | | | 73.1 | 124.2 | 90.7 | 167.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 983 | H | 34.5 | Very low | 32.4 | Very low | 159 Ų | 159 | 146 Ų | 146 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | | | cis | -171.1 | 140.2 | -3 | -99.6 | -13.1 | 0 | 0 | 0 | 107.9 | | |
| 984 | S | 29.9 | Very low | 32.5 | Very low | 100 Ų | 100 | 146.3 Ų | 146.3 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | | | trans | 65.3 | 136.3 | 133.1 | -41.4 | 0 | 0 | 0 | 0 | 119.1 | | |
| 985 | K | 35.4 | Very low | 32.6 | Very low | 186 Ų | 186 | 143.3 Ų | 143.3 | 81% | 0.809 | 75% | 0.754 | S | S | * | * | | | cis | -160.9 | 142.3 | 35.4 | -75.5 | -176.7 | 175.4 | 177.8 | 0 | 111.5 | | |
| 986 | S | 31.3 | Very low | 32.7 | Very low | 101 Ų | 101 | 144.1 Ų | 144.1 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | | | trans | -61 | 151.6 | 150.3 | 157.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 987 | M | 35.6 | Very low | 33 | Very low | 150 Ų | 150 | 145.9 Ų | 145.9 | 74% | 0.739 | 76% | 0.762 | S | S | * | * | | | trans | -162.7 | 103.2 | 136.4 | -105.8 | -170.5 | -69.2 | 0 | 0 | 110.9 | | |
| 988 | D | 31.6 | Very low | 32.9 | Very low | 152 Ų | 152 | 146 Ų | 146 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | | | | -47.3 | 127 | 128.4 | -78 | -54.2 | 0 | 0 | 0 | 107.9 | | |
| 989 | S | 33.3 | Very low | 33.1 | Very low | 86 Ų | 86 | 144.6 Ų | 144.6 | 60% | 0.601 | 76% | 0.764 | S | S | * | * | | | trans | 175.4 | 126 | 153.1 | -81.2 | 0 | 0 | 0 | 0 | 112 | L991 | S989-L991 PolarHBondContact O-N 3.49Å; S989-L991 VanDerWaalsContact O-N 3.12Å |
| 990 | K | 31.2 | Very low | 32.9 | Very low | 209 Ų | 209 | 140.3 Ų | 140.3 | 91% | 0.909 | 76% | 0.76 | S | S | * | * | | | trans | -54.8 | 103.3 | 154.2 | -68.2 | 174.9 | 175 | -179.1 | 0 | 109.4 | | |
| 991 | L | 31.7 | Very low | 33 | Very low | 149 Ų | 149 | 144.2 Ų | 144.2 | 78% | 0.78 | 77% | 0.765 | S | S | * | * | | | trans | -149.4 | 121.1 | 165.5 | -76.9 | 179.4 | 0 | 0 | 0 | 112.2 | S989 | S989-L991 PolarHBondContact O-N 3.49Å; S989-L991 VanDerWaalsContact O-N 3.12Å |
| 992 | N | 30.8 | Very low | 32.6 | Very low | 148 Ų | 148 | 144.1 Ų | 144.1 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | | | trans | -46.6 | 145.3 | 163.2 | -79.7 | -21.4 | 0 | 0 | 0 | 112 | | |
| 993 | P | 32.3 | Very low | 32.3 | Very low | 108 Ų | 108 | 147.6 Ų | 147.6 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -112.7 | 51 | 163.9 | 40.4 | -29.1 | 0 | 0 | 0 | 110.9 | | |
| 994 | F | 30.6 | Very low | 32.2 | Very low | 171 Ų | 171 | 144 Ų | 144 | 75% | 0.75 | 76% | 0.764 | S | S | * | * | | | trans | -146.9 | 137.5 | 164.3 | -69.7 | -73.3 | 0 | 0 | 0 | 107.8 | | |
| 995 | D | 35.1 | Very low | 32.2 | Very low | 160 Ų | 160 | 148.7 Ų | 148.7 | 86% | 0.856 | 77% | 0.772 | S | S | * | * | | | trans | 91.1 | 123.6 | -171.6 | -52.7 | -23.1 | 0 | 0 | 0 | 112.8 | | |
| 996 | N | 32.4 | Very low | 32 | Very low | 141 Ų | 141 | 145.5 Ų | 145.5 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | | | cis | -173.7 | 174.9 | 3.8 | -173.7 | 2.8 | 0 | 0 | 0 | 105.3 | | |
| 997 | I | 34.6 | Very low | 31.9 | Very low | 134 Ų | 134 | 148 Ų | 148 | 69% | 0.687 | 77% | 0.772 | S | S | * | * | | | trans | 110.5 | 94.1 | 155 | -54 | 165 | 0 | 0 | 0 | 115.2 | | |
| 998 | D | 31.5 | Very low | 31.8 | Very low | 140 Ų | 140 | 148.8 Ų | 148.8 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | | | trans | 64.4 | 103.2 | 130.2 | -57.4 | -20.5 | 0 | 0 | 0 | 119.3 | | |
| 999 | S | 35.3 | Very low | 31.8 | Very low | 118 Ų | 118 | 145.5 Ų | 145.5 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | | | | -171.2 | 133.9 | 109.1 | 33.9 | 0 | 0 | 0 | 0 | 111.6 | L1001 | S999-L1001 PolarHBondContact O-N 3.17Å; S999-L1001 VanDerWaalsContact O-N 3.17Å |
| 1000 | N | 29.6 | Very low | 31.8 | Very low | 163 Ų | 163 | 148 Ų | 148 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | | | trans | -34.9 | 108.1 | 172.1 | -69 | -69.6 | 0 | 0 | 0 | 114.7 | | |
| 1001 | L | 33.6 | Very low | 31.8 | Very low | 148 Ų | 148 | 143.3 Ų | 143.3 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | | | trans | -155.7 | 102.1 | 140.1 | -139.4 | 70.5 | 0 | 0 | 0 | 111.4 | S999 F1003 | S999-L1001 PolarHBondContact O-N 3.17Å; S999-L1001 VanDerWaalsContact O-N 3.17Å; L1001-F1003 HydrophobicContact CD2-CD2 4.11Å; L1001-F1003 HydrophobicContact CD2-CE2 4.32Å; L1001-F1003 HydrophobicContact CG-CD2 4.25Å; L1001-F1003 HydrophobicContact CG-CE2 4.48Å; L1001-F1003 PolarHBondContact O-N 3.22Å |
| 1002 | K | 28.2 | Very low | 31.9 | Very low | 200 Ų | 200 | 145.6 Ų | 145.6 | 87% | 0.87 | 78% | 0.775 | S | S | * | * | | | trans | -43.7 | 117 | 153.7 | -78.8 | 170.7 | 169.6 | 178.2 | 0 | 109 | | |
| 1003 | F | 30.5 | Very low | 32 | Very low | 176 Ų | 176 | 143.4 Ų | 143.4 | 77% | 0.772 | 77% | 0.771 | S | S | * | * | | | trans | -152.5 | 92.7 | 145 | -92.5 | -70.3 | 0 | 0 | 0 | 110.1 | L1001 | L1001-F1003 HydrophobicContact CD2-CD2 4.11Å; L1001-F1003 HydrophobicContact CD2-CE2 4.32Å; L1001-F1003 HydrophobicContact CG-CD2 4.25Å; L1001-F1003 HydrophobicContact CG-CE2 4.48Å; L1001-F1003 PolarHBondContact O-N 3.22Å |
| 1004 | S | 31.7 | Very low | 31.9 | Very low | 83 Ų | 83 | 145.6 Ų | 145.6 | 58% | 0.58 | 78% | 0.776 | S | S | * | * | | | trans | 24.5 | 114.9 | 134 | 52.6 | 0 | 0 | 0 | 0 | 118.8 | C1006 | S1004-C1006 PolarHBondContact O-N 3.12Å; S1004-C1006 VanDerWaalsContact O-N 3.12Å |
| 1005 | K | 29.8 | Very low | 32.1 | Very low | 199 Ų | 199 | 143.9 Ų | 143.9 | 87% | 0.865 | 77% | 0.774 | S | S | * | * | | | trans | -23.5 | 105.7 | 138.6 | -164.5 | 170.9 | -171 | 175 | 0 | 112.4 | | |
| 1006 | C | 31 | Very low | 32 | Very low | 120 Ų | 120 | 143.3 Ų | 143.3 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | | | trans | -104.2 | 98 | 167.8 | -84.3 | 0 | 0 | 0 | 0 | 109.9 | S1004 | S1004-C1006 PolarHBondContact O-N 3.12Å; S1004-C1006 VanDerWaalsContact O-N 3.12Å |
| 1007 | H | 29.5 | Very low | 32.2 | Very low | 152 Ų | 152 | 142.9 Ų | 142.9 | 70% | 0.704 | 77% | 0.769 | S | S | * | * | | | trans | -65.3 | 139.4 | 151.2 | -115.5 | -93 | 0 | 0 | 0 | 109.3 | | |
| 1008 | L | 33.6 | Very low | 32.1 | Very low | 168 Ų | 168 | 144.1 Ų | 144.1 | 88% | 0.88 | 77% | 0.771 | S | S | * | * | | | trans | -140.9 | 85.9 | 159.1 | -150.3 | 74.7 | 0 | 0 | 0 | 106.4 | | |
| 1009 | S | 31.3 | Very low | 32 | Very low | 83 Ų | 83 | 143.4 Ų | 143.4 | 58% | 0.58 | 77% | 0.767 | S | S | * | * | | | | 73.7 | 100.4 | 77.2 | -58.7 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1010 | T | 33.7 | Very low | 31.8 | Very low | 138 Ų | 138 | 144.5 Ų | 144.5 | 85% | 0.847 | 76% | 0.763 | S | S | * | * | | | trans | -149.9 | 103.7 | 133.7 | -33.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1011 | C | 31 | Very low | 31.9 | Very low | 111 Ų | 111 | 141.6 Ų | 141.6 | 75% | 0.75 | 75% | 0.751 | S | S | * | * | | | trans | 52.6 | 128.4 | 142.9 | -58.9 | 0 | 0 | 0 | 0 | 119.7 | | |
| 1012 | K | 33.6 | Very low | 31.8 | Very low | 196 Ų | 196 | 142 Ų | 142 | 85% | 0.852 | 75% | 0.749 | S | S | * | * | | | cis | -171.8 | 148.3 | 23.6 | -115.2 | 169.4 | -179.7 | 179.2 | 0 | 109.9 | | |
| 1013 | S | 33.3 | Very low | 32.2 | Very low | 102 Ų | 102 | 140.5 Ų | 140.5 | 71% | 0.713 | 75% | 0.745 | S | S | * | * | | | trans | 74.5 | 88.5 | 153.5 | -162.3 | 0 | 0 | 0 | 0 | 118.1 | | |
| 1014 | I | 30.2 | Very low | 32.3 | Very low | 155 Ų | 155 | 141.2 Ų | 141.2 | 80% | 0.795 | 75% | 0.748 | S | S | * | * | | | | 66.9 | 106.5 | 81.1 | -55.6 | 160.6 | 0 | 0 | 0 | 112.5 | | |
| 1015 | N | 35.3 | Very low | 32.7 | Very low | 135 Ų | 135 | 146.5 Ų | 146.5 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | | | | -178.1 | 120.9 | 89.5 | -158.2 | 16.1 | 0 | 0 | 0 | 110.9 | | |
| 1016 | N | 32.4 | Very low | 32.8 | Very low | 147 Ų | 147 | 142.6 Ų | 142.6 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | | | trans | -86.7 | 145.8 | 159.8 | -69.9 | -27.7 | 0 | 0 | 0 | 107.4 | | |
| 1017 | N | 36.5 | Very low | 33 | Very low | 133 Ų | 133 | 142.2 Ų | 142.2 | 71% | 0.711 | 75% | 0.751 | S | S | * | * | | | trans | -169.4 | 114.6 | 142.1 | -87.8 | -13.6 | 0 | 0 | 0 | 106.1 | | |
| 1018 | E | 31.9 | Very low | 33.4 | Very low | 159 Ų | 159 | 140.2 Ų | 140.2 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | | | | 63.2 | 125.2 | 82.9 | -104.7 | -166 | 155.4 | 0 | 0 | 113.8 | | |
| 1019 | L | 30 | Very low | 33.4 | Very low | 126 Ų | 126 | 140.5 Ų | 140.5 | 66% | 0.66 | 75% | 0.751 | S | S | * | * | | | trans | 64.3 | 130.6 | 139.4 | -105.5 | 72.1 | 0 | 0 | 0 | 119.3 | | |
| 1020 | L | 31.1 | Very low | 33.7 | Very low | 141 Ų | 141 | 140.8 Ų | 140.8 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | | | trans | 69.4 | 133.7 | 144.2 | -59.8 | 164.6 | 0 | 0 | 0 | 113.5 | | |
| 1021 | T | 32.2 | Very low | 33.9 | Very low | 102 Ų | 102 | 140.6 Ų | 140.6 | 63% | 0.626 | 74% | 0.744 | S | S | * | * | | | cis | 177.7 | 151 | 30.4 | 2.1 | 0 | 0 | 0 | 0 | 104.7 | | |
| 1022 | E | 31.7 | Very low | 34.2 | Very low | 157 Ų | 157 | 141.3 Ų | 141.3 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | | | trans | 65.1 | 111.1 | 139.4 | -67.9 | -175.3 | 175.5 | 0 | 0 | 120.7 | | |
| 1023 | Q | 35.5 | Very low | 34.4 | Very low | 168 Ų | 168 | 137.4 Ų | 137.4 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | | | | 155.8 | 108.1 | 100.8 | -73.5 | -147.2 | -4.2 | 0 | 0 | 113.2 | | |
| 1024 | K | 33.6 | Very low | 34.6 | Very low | 191 Ų | 191 | 138.5 Ų | 138.5 | 83% | 0.83 | 74% | 0.742 | S | S | * | * | | | trans | 23.3 | 122.9 | 131 | -75.8 | 177.3 | 171.2 | 175.7 | 0 | 119.4 | | |
| 1025 | K | 38.9 | Very low | 34.9 | Very low | 194 Ų | 194 | 137.1 Ų | 137.1 | 84% | 0.843 | 75% | 0.746 | S | S | * | * | | | | 176.3 | 100.3 | 111.8 | -97.7 | 169.1 | 176.5 | 176.9 | 0 | 109 | | |
| 1026 | T | 32.2 | Very low | 34.8 | Very low | 116 Ų | 116 | 142 Ų | 142 | 71% | 0.712 | 76% | 0.755 | S | S | * | * | | | | 48.9 | 112.7 | 93.8 | 61.3 | 0 | 0 | 0 | 0 | 114.9 | | |
| 1027 | C | 34.6 | Very low | 35.1 | Very low | 112 Ų | 112 | 140.8 Ų | 140.8 | 76% | 0.757 | 76% | 0.757 | S | S | * | * | | | | 162.7 | 123.4 | 107.5 | -88.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1028 | S | 38.2 | Very low | 34.9 | Very low | 110 Ų | 110 | 141.7 Ų | 141.7 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | | | trans | 81.9 | 103.3 | 133.5 | -44.2 | 0 | 0 | 0 | 0 | 121.7 | | |
| 1029 | E | 33.6 | Very low | 35.3 | Very low | 175 Ų | 175 | 141.6 Ų | 141.6 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | | | | 0.3 | 170.9 | 116.8 | -111.2 | -173.3 | 157.7 | 0 | 0 | 119.1 | | |
| 1030 | P | 39.1 | Very low | 35.7 | Very low | 88 Ų | 88 | 144.4 Ų | 144.4 | 57% | 0.571 | 77% | 0.772 | S | S | * | * | | | cis | -148.8 | -175.1 | 1.1 | 35.7 | -11.2 | 0 | 0 | 0 | 117.7 | | |
| 1031 | N | 37.3 | Very low | 36.2 | Very low | 134 Ų | 134 | 144.3 Ų | 144.3 | 72% | 0.717 | 77% | 0.772 | S | S | * | * | | | trans | 80.8 | 108 | 139.3 | -73.5 | -25.8 | 0 | 0 | 0 | 125.2 | | |
| 1032 | V | 37 | Very low | 36.4 | Very low | 126 Ų | 126 | 148 Ų | 148 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | | | | 58.7 | 160 | 107.9 | -179.9 | 0 | 0 | 0 | 0 | 119.5 | | |
| 1033 | P | 38.8 | Very low | 36.8 | Very low | 115 Ų | 115 | 149.6 Ų | 149.6 | 75% | 0.747 | 78% | 0.784 | S | S | * | * | | | cis | -132.2 | 174.8 | -14.5 | 27.5 | -4.8 | 0 | 0 | 0 | 117.6 | | |
| 1034 | V | 36.8 | Very low | 36.6 | Very low | 125 Ų | 125 | 146.6 Ų | 146.6 | 76% | 0.758 | 78% | 0.782 | S | S | * | * | | | trans | -33.4 | 147.9 | 158.1 | -178.7 | 0 | 0 | 0 | 0 | 118.7 | | |
| 1035 | S | 36.9 | Very low | 36.7 | Very low | 126 Ų | 126 | 145.2 Ų | 145.2 | 88% | 0.881 | 78% | 0.782 | S | S | * | * | | | trans | -146.9 | 127.9 | 147.5 | -77.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1036 | R | 32.6 | Very low | 36.4 | Very low | 238 Ų | 238 | 141 Ų | 141 | 90% | 0.898 | 78% | 0.784 | S | S | * | * | | | trans | -68.5 | 156 | 177.3 | -68.9 | 164.9 | 160.5 | 170.4 | -6.5 | 112.7 | | |
| 1037 | S | 37.7 | Very low | 36.4 | Very low | 121 Ų | 121 | 138.9 Ų | 138.9 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | | | | -166.7 | 147.4 | 118.9 | 58.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1038 | N | 33 | Very low | 36.3 | Very low | 152 Ų | 152 | 138.2 Ų | 138.2 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | | | trans | -124.3 | 120.7 | -166.4 | -162.7 | -2 | 0 | 0 | 0 | 105.1 | | |
| 1039 | I | 41 | Very low | 36.1 | Very low | 156 Ų | 156 | 141.5 Ų | 141.5 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | | | trans | -137.2 | 105.3 | 169.2 | -61.9 | -178.9 | 0 | 0 | 0 | 108.5 | | |
| 1040 | K | 38.4 | Very low | 36.1 | Very low | 185 Ų | 185 | 138 Ų | 138 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | trans | -66.2 | 134.4 | 155.6 | -91.4 | 169.5 | 169.3 | 170.9 | 0 | 108.3 | | |
| 1041 | D | 40.3 | Very low | 35.6 | Very low | 140 Ų | 140 | 143.9 Ų | 143.9 | 75% | 0.749 | 80% | 0.803 | S | S | * | * | | | trans | -172.8 | 104.9 | 140.2 | -87.3 | -32.1 | 0 | 0 | 0 | 107.7 | | |
| 1042 | K | 38 | Very low | 35.4 | Very low | 180 Ų | 180 | 142.8 Ų | 142.8 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | | | | 64.2 | 120.2 | 94.2 | -87.3 | -173.3 | -179.3 | 175.1 | 0 | 114.7 | | |
| 1043 | K | 39.8 | Very low | 35 | Very low | 190 Ų | 190 | 141.4 Ų | 141.4 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | | | trans | 94.7 | 113.4 | 151 | -64 | 170.3 | 177.2 | -176.6 | 0 | 117.2 | | |
| 1044 | S | 31.7 | Very low | 34.7 | Very low | 105 Ų | 105 | 145.1 Ų | 145.1 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | | | | 55.9 | 104.5 | 126.4 | 173 | 0 | 0 | 0 | 0 | 117.2 | | |
| 1045 | L | 34.2 | Very low | 34.5 | Very low | 161 Ų | 161 | 147.5 Ų | 147.5 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | | | | -167.1 | 126.2 | 115.5 | -137.8 | 68.9 | 0 | 0 | 0 | 110 | | |
| 1046 | A | 32.8 | Very low | 34.3 | Very low | 105 Ų | 105 | 150.1 Ų | 150.1 | 87% | 0.868 | 81% | 0.805 | S | S | * | * | | | trans | -62.1 | 137.9 | 157.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 1047 | G | 32.8 | Very low | 34.4 | Very low | 72 Ų | 72 | 147.5 Ų | 147.5 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | | | trans | -166.9 | 99 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1048 | A | 32.4 | Very low | 34.3 | Very low | 99 Ų | 99 | 150.4 Ų | 150.4 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | trans | -58 | 137.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1049 | L | 34.3 | Very low | 34.3 | Very low | 179 Ų | 179 | 148.3 Ų | 148.3 | 94% | 0.937 | 81% | 0.805 | S | S | * | * | | | trans | -140.3 | 129 | 151.5 | -74.9 | 178.8 | 0 | 0 | 0 | 110 | | |
| 1050 | S | 33.4 | Very low | 34 | Very low | 101 Ų | 101 | 146.5 Ų | 146.5 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | | | trans | -82.7 | 155.8 | -172.8 | 179.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1051 | Y | 28.6 | Very low | 33.9 | Very low | 212 Ų | 212 | 146.8 Ų | 146.8 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | | | trans | -19.7 | 161.9 | 171.4 | -78.9 | -90.6 | 0 | 0 | 0 | 120.7 | | |
| 1052 | P | 33.6 | Very low | 33.7 | Very low | 111 Ų | 111 | 148.1 Ų | 148.1 | 72% | 0.721 | 81% | 0.81 | S | S | * | * | | | | -134.8 | 144.7 | 100.2 | 27.1 | -10.1 | 0 | 0 | 0 | 115.3 | | |
| 1053 | S | 28.7 | Very low | 33.5 | Very low | 96 Ų | 96 | 146.4 Ų | 146.4 | 67% | 0.671 | 81% | 0.81 | S | S | * | * | | | trans | -71.8 | 136.1 | 165.1 | 165.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1054 | F | 32.4 | Very low | 33.6 | Very low | 194 Ų | 194 | 151 Ų | 151 | 85% | 0.851 | 83% | 0.83 | S | S | * | * | | | trans | -131.7 | 106 | 161.6 | -92 | -85 | 0 | 0 | 0 | 109.6 | | |
| 1055 | H | 31.3 | Very low | 33.7 | Very low | 175 Ų | 175 | 153.3 Ų | 153.3 | 81% | 0.81 | 84% | 0.835 | S | S | * | * | | | trans | -83.5 | 155.9 | 153.8 | -113.6 | -82.5 | 0 | 0 | 0 | 108.1 | | |
| 1056 | Q | 34.1 | Very low | 33.7 | Very low | 181 Ų | 181 | 152.9 Ų | 152.9 | 85% | 0.846 | 84% | 0.835 | S | S | * | * | | | trans | 86.4 | 102.2 | -178.6 | -68.6 | 178.4 | -21.8 | 0 | 0 | 115.5 | | |
| 1057 | L | 34.3 | Very low | 33.8 | Very low | 182 Ų | 182 | 155.6 Ų | 155.6 | 95% | 0.953 | 83% | 0.833 | S | S | * | * | | | | -159.4 | 97.2 | 123.7 | -96.7 | 168.7 | 0 | 0 | 0 | 107.2 | | |
| 1058 | E | 34.9 | Very low | 33.8 | Very low | 183 Ų | 183 | 160.5 Ų | 160.5 | 86% | 0.855 | 84% | 0.838 | S | S | * | * | | | trans | -95.3 | 144.6 | 168.1 | -169.2 | 158.6 | -160 | 0 | 0 | 107.8 | | |
| 1059 | S | 32.6 | Very low | 33.9 | Very low | 108 Ų | 108 | 164.3 Ų | 164.3 | 76% | 0.755 | 84% | 0.839 | S | S | * | * | | | trans | 68.5 | 105 | 175.6 | -69.4 | 0 | 0 | 0 | 0 | 118.1 | | |
| 1060 | C | 34.8 | Very low | 33.9 | Very low | 118 Ų | 118 | 163.3 Ų | 163.3 | 80% | 0.797 | 83% | 0.833 | S | S | * | * | | | | 170.5 | 107.5 | 128.4 | -93.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 1061 | H | 37.5 | Very low | 33.9 | Very low | 191 Ų | 191 | 167.8 Ų | 167.8 | 88% | 0.884 | 84% | 0.842 | S | S | * | * | | | | 176.2 | 103.9 | 122.8 | -101.5 | -76.6 | 0 | 0 | 0 | 111.3 | | |
| 1062 | Q | 34.7 | Very low | 34.3 | Very low | 168 Ų | 168 | 164.4 Ų | 164.4 | 79% | 0.785 | 84% | 0.843 | S | S | * | * | | | trans | -67.3 | 151.2 | 152.5 | -101.1 | 160 | -25 | 0 | 0 | 110.3 | | |
| 1063 | N | 34.8 | Very low | 34.4 | Very low | 144 Ų | 144 | 168.8 Ų | 168.8 | 77% | 0.77 | 85% | 0.853 | S | S | * | * | | | trans | 75.8 | 98.9 | 160.7 | -58.9 | -32 | 0 | 0 | 0 | 118 | | |
| 1064 | F | 42.7 | Very low | 34.9 | Very low | 286 Ų | 286 | 175.5 Ų | 175.5 | 100% | 1.254 | 87% | 0.869 | S | S | * | * | | | | -142.8 | 0 | 122.1 | -104.3 | -77 | 0 | 0 | 0 | 109.8 | | |