| 1 | M | 40.6 | Very low | 50.8 | Low | 238 Ų | 238 | 144.2 Ų | 144.2 | 100% | 1.172 | 80% | 0.795 | S | S | * | * | | | | 0 | 135.4 | 0 | -80.8 | -171.5 | 171.7 | 0 | 0 | 107.8 | | |
| 2 | D | 46.9 | Very low | 51.1 | Low | 156 Ų | 156 | 145.9 Ų | 145.9 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | | | trans | -99.8 | 140.7 | -151.6 | -52.1 | -89.9 | 0 | 0 | 0 | 112.3 | | |
| 3 | R | 45.6 | Very low | 51.4 | Low | 258 Ų | 258 | 149.1 Ų | 149.1 | 97% | 0.974 | 81% | 0.806 | S | S | * | * | | | trans | -168.6 | 132.2 | 155.9 | -98.1 | 151.4 | -161.2 | -139.8 | 4.5 | 105.5 | | |
| 4 | G | 48.2 | Very low | 51.6 | Low | 68 Ų | 68 | 149.5 Ų | 149.5 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | | | cis | 130.8 | 56.9 | 15.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 5 | A | 52.3 | Low | 52.2 | Low | 97 Ų | 97 | 149.7 Ų | 149.7 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | | | trans | -102.6 | 94.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | S7 | A5-S7 PolarHBondContact O-N 3.27Å; A5-S7 VanDerWaalsContact O-N 3.1Å |
| 6 | N | 47.7 | Very low | 53.3 | Low | 137 Ų | 137 | 149.7 Ų | 149.7 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | | | trans | -67.8 | 107.8 | 178.5 | -58 | -16 | 0 | 0 | 0 | 108.7 | D8 | N6-D8 VanDerWaalsContact C-N 3.32Å; N6-D8 PolarHBondContact O-N 3.04Å; N6-D8 VanDerWaalsContact O-N 3.09Å |
| 7 | S | 53.8 | Low | 53.8 | Low | 98 Ų | 98 | 148.7 Ų | 148.7 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | | | trans | -79.8 | 85 | 169.8 | 58.5 | 0 | 0 | 0 | 0 | 108.8 | A5 L9 | A5-S7 PolarHBondContact O-N 3.27Å; A5-S7 VanDerWaalsContact O-N 3.1Å; S7-L9 PolarHBondContact O-N 2.77Å |
| 8 | D | 52.9 | Low | 54.4 | Low | 140 Ų | 140 | 146.9 Ų | 146.9 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | | | trans | -67.9 | 72.9 | 174 | -70.5 | -31.9 | 0 | 0 | 0 | 110.5 | N6 C10 | N6-D8 VanDerWaalsContact C-N 3.32Å; N6-D8 PolarHBondContact O-N 3.04Å; N6-D8 VanDerWaalsContact O-N 3.09Å; D8-C10 VanDerWaalsContact C-N 3.32Å; D8-C10 PolarHBondContact O-N 2.8Å |
| 9 | L | 54.8 | Low | 54.6 | Low | 113 Ų | 113 | 147.4 Ų | 147.4 | 59% | 0.592 | 77% | 0.766 | S | S | * | * | | | trans | -71.9 | 92.6 | 165.1 | -91.2 | 73.2 | 0 | 0 | 0 | 107.8 | S7 F11 | S7-L9 PolarHBondContact O-N 2.77Å; L9-F11 HydrophobicContact CB-CD2 4.06Å; L9-F11 HydrophobicContact CB-CE2 3.68Å; L9-F11 HydrophobicContact CB-CZ 4.21Å; L9-F11 HydrophobicContact CD2-CE1 4.38Å; L9-F11 HydrophobicContact CD2-CE2 4.06Å; L9-F11 HydrophobicContact CD2-CZ 3.72Å; L9-F11 VanDerWaalsContact O-CD2 3.28Å; L9-F11 WeakPolarHBondContact O-CD2 3.29Å; L9-F11 PolarHBondContact O-N 2.95Å |
| 10 | C | 57.4 | Low | 54.8 | Low | 114 Ų | 114 | 147.1 Ų | 147.1 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | | | trans | -66.8 | 80.5 | 162.5 | -59.6 | 0 | 0 | 0 | 0 | 109.3 | D8 L12 | D8-C10 VanDerWaalsContact C-N 3.32Å; D8-C10 PolarHBondContact O-N 2.8Å; C10-L12 PolarHBondContact O-N 3.09Å |
| 11 | F | 58 | Low | 54.8 | Low | 167 Ų | 167 | 144.8 Ų | 144.8 | 73% | 0.732 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 118.8 | 161.4 | -66 | -85 | 0 | 0 | 0 | 107.5 | L9 Q13 | L9-F11 HydrophobicContact CB-CD2 4.06Å; L9-F11 HydrophobicContact CB-CE2 3.68Å; L9-F11 HydrophobicContact CB-CZ 4.21Å; L9-F11 HydrophobicContact CD2-CE1 4.38Å; L9-F11 HydrophobicContact CD2-CE2 4.06Å; L9-F11 HydrophobicContact CD2-CZ 3.72Å; L9-F11 VanDerWaalsContact O-CD2 3.28Å; L9-F11 WeakPolarHBondContact O-CD2 3.29Å; L9-F11 PolarHBondContact O-N 2.95Å; F11-Q13 PolarHBondContact O-N 2.85Å |
| 12 | L | 55.5 | Low | 55.5 | Low | 165 Ų | 165 | 138 Ų | 138 | 86% | 0.864 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 125 | 164.9 | -78.1 | 83.4 | 0 | 0 | 0 | 106.4 | C10 | C10-L12 PolarHBondContact O-N 3.09Š|
| 13 | Q | 54.8 | Low | 55.9 | Low | 187 Ų | 187 | 137.9 Ų | 137.9 | 87% | 0.874 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 132.6 | 173.2 | -68 | 177 | -21.2 | 0 | 0 | 107.9 | F11 E15 | F11-Q13 PolarHBondContact O-N 2.85Å; Q13-E15 PolarHBondContact O-N 2.89Å; Q13-E15 VanDerWaalsContact O-N 3.09Å |
| 14 | D | 53.8 | Low | 55.7 | Low | 155 Ų | 155 | 130.1 Ų | 130.1 | 83% | 0.829 | 72% | 0.718 | S | S | * | * | | | trans | -58.9 | 115.4 | 178.5 | -65.7 | -62.8 | 0 | 0 | 0 | 109.8 | K16 | D14-K16 VanDerWaalsContact C-N 3.27Å; D14-K16 PolarHBondContact O-N 2.78Å |
| 15 | E | 61.1 | Low | 55.7 | Low | 153 Ų | 153 | 132.9 Ų | 132.9 | 72% | 0.715 | 72% | 0.723 | S | S | * | * | | | trans | -72.8 | 83 | -178.9 | -168.2 | 172.4 | -160.6 | 0 | 0 | 109.2 | Q13 F17 | Q13-E15 PolarHBondContact O-N 2.89Å; Q13-E15 VanDerWaalsContact O-N 3.09Å; E15-F17 VanDerWaalsContact C-N 3.33Å; E15-F17 HydrophobicContact CB-CE2 4.26Å; E15-F17 VanDerWaalsContact CD-CE2 3.45Å; E15-F17 HydrophobicContact CG-CD2 4.03Å; E15-F17 HydrophobicContact CG-CE2 3.59Å; E15-F17 HydrophobicContact CG-CZ 4.1Å; E15-F17 WeakPolarHBondContact O-CD2 3.24Å; E15-F17 PolarHBondContact O-N 2.73Å |
| 16 | K | 69.9 | Low | 55.3 | Low | 149 Ų | 149 | 134.7 Ų | 134.7 | 65% | 0.648 | 72% | 0.724 | S | S | * | * | | | trans | -63.1 | 93.3 | 170.9 | -80 | -170.4 | 71 | -85.5 | 0 | 109.9 | D14 D18 | D14-K16 VanDerWaalsContact C-N 3.27Å; D14-K16 PolarHBondContact O-N 2.78Å; K16-D18 VanDerWaalsContact C-N 3.33Å; K16-D18 VanDerWaalsContact NZ-CG 3.26Å; K16-D18 IonicContact NZ-OD1 2.57Å; K16-D18 PolarHBondContact NZ-OD1 3.2Å; K16-D18 IonicContact NZ-OD2 3.15Å; K16-D18 PolarHBondContact NZ-OD2 2.97Å; K16-D18 VanDerWaalsContact NZ-OD2 3.15Å; K16-D18 PolarHBondContact O-N 3.04Å |
| 17 | F | 61.5 | Low | 55.4 | Low | 133 Ų | 133 | 133.4 Ų | 133.4 | 58% | 0.583 | 73% | 0.726 | S | S | * | * | | | trans | -67 | 89.7 | 164.4 | -80 | -84.2 | 0 | 0 | 0 | 110.2 | E15 F19 | E15-F17 VanDerWaalsContact C-N 3.33Å; E15-F17 HydrophobicContact CB-CE2 4.26Å; E15-F17 VanDerWaalsContact CD-CE2 3.45Å; E15-F17 HydrophobicContact CG-CD2 4.03Å; E15-F17 HydrophobicContact CG-CE2 3.59Å; E15-F17 HydrophobicContact CG-CZ 4.1Å; E15-F17 WeakPolarHBondContact O-CD2 3.24Å; E15-F17 PolarHBondContact O-N 2.73Å; F17-F19 HydrophobicContact CB-CD2 3.86Å; F17-F19 HydrophobicContact CB-CE2 4Å; F17-F19 HydrophobicContact CD1-CD2 4.19Å; F17-F19 AromaticContact CD1-CE2 3.49Å; F17-F19 HydrophobicContact CD1-CE2 3.49Å; F17-F19 VanDerWaalsContact CD1-CE2 3.49Å; F17-F19 HydrophobicContact CD1-CZ 4.11Å; F17-F19 HydrophobicContact CE1-CE2 4.33Å; F17-F19 HydrophobicContact CG-CD2 4.43Å; F17-F19 HydrophobicContact CG-CE2 4.07Å; F17-F19 PolarHBondContact O-N 2.8Å |
| 18 | D | 65.2 | Low | 55 | Low | 117 Ų | 117 | 133.3 Ų | 133.3 | 63% | 0.626 | 73% | 0.731 | S | S | * | * | | | trans | -73.7 | 80.1 | 169.6 | -76.5 | -8.1 | 0 | 0 | 0 | 109.9 | K16 D20 | K16-D18 VanDerWaalsContact C-N 3.33Å; K16-D18 VanDerWaalsContact NZ-CG 3.26Å; K16-D18 IonicContact NZ-OD1 2.57Å; K16-D18 PolarHBondContact NZ-OD1 3.2Å; K16-D18 IonicContact NZ-OD2 3.15Å; K16-D18 PolarHBondContact NZ-OD2 2.97Å; K16-D18 VanDerWaalsContact NZ-OD2 3.15Å; K16-D18 PolarHBondContact O-N 3.04Å; D18-D20 PolarHBondContact O-N 3.18Å |
| 19 | F | 57.5 | Low | 54.9 | Low | 155 Ų | 155 | 136.5 Ų | 136.5 | 68% | 0.68 | 74% | 0.738 | S | S | * | * | | | trans | -86 | 47.8 | 168.6 | -80.2 | -65.6 | 0 | 0 | 0 | 111.9 | F17 V21 | F17-F19 HydrophobicContact CB-CD2 3.86Å; F17-F19 HydrophobicContact CB-CE2 4Å; F17-F19 HydrophobicContact CD1-CD2 4.19Å; F17-F19 AromaticContact CD1-CE2 3.49Å; F17-F19 HydrophobicContact CD1-CE2 3.49Å; F17-F19 VanDerWaalsContact CD1-CE2 3.49Å; F17-F19 HydrophobicContact CD1-CZ 4.11Å; F17-F19 HydrophobicContact CE1-CE2 4.33Å; F17-F19 HydrophobicContact CG-CD2 4.43Å; F17-F19 HydrophobicContact CG-CE2 4.07Å; F17-F19 PolarHBondContact O-N 2.8Å; F19-V21 HydrophobicContact CB-CG2 4.44Å; F19-V21 HydrophobicContact CD1-CG2 4.14Å; F19-V21 PolarHBondContact O-N 3.2Å |
| 20 | D | 58.3 | Low | 54.5 | Low | 141 Ų | 141 | 134 Ų | 134 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | | | trans | -73.7 | 65.3 | 165.4 | -83.5 | -13 | 0 | 0 | 0 | 109.7 | D18 S22 | D18-D20 PolarHBondContact O-N 3.18Å; D20-S22 PolarHBondContact O-N 2.91Å; D20-S22 PolarHBondContact O-OG 2.87Å |
| 21 | V | 54.8 | Low | 54.1 | Low | 99 Ų | 99 | 137.1 Ų | 137.1 | 60% | 0.6 | 74% | 0.743 | S | S | * | * | | | trans | -71.1 | 75.7 | 174.5 | -171.4 | 0 | 0 | 0 | 0 | 108.3 | F19 L23 | F19-V21 HydrophobicContact CB-CG2 4.44Å; F19-V21 HydrophobicContact CD1-CG2 4.14Å; F19-V21 PolarHBondContact O-N 3.2Å; V21-L23 VanDerWaalsContact C-N 3.29Å; V21-L23 HydrophobicContact CG1-CD2 3.95Å; V21-L23 HydrophobicContact CG1-CG 4.12Å; V21-L23 PolarHBondContact O-N 3.26Å |
| 22 | S | 56 | Low | 53.6 | Low | 96 Ų | 96 | 137.6 Ų | 137.6 | 67% | 0.671 | 75% | 0.747 | S | S | * | * | | | trans | -71.8 | 82.2 | -177.9 | -64.1 | 0 | 0 | 0 | 0 | 109.9 | D20 S24 | D20-S22 PolarHBondContact O-N 2.91Å; D20-S22 PolarHBondContact O-OG 2.87Å; S22-S24 PolarHBondContact O-N 3.33Å |
| 23 | L | 54.5 | Low | 53.5 | Low | 154 Ų | 154 | 137.5 Ų | 137.5 | 81% | 0.806 | 74% | 0.743 | S | S | * | * | | | trans | -71.5 | 61.5 | 173.7 | -62.5 | -177.8 | 0 | 0 | 0 | 111.3 | V21 P25 | V21-L23 VanDerWaalsContact C-N 3.29Å; V21-L23 HydrophobicContact CG1-CD2 3.95Å; V21-L23 HydrophobicContact CG1-CG 4.12Å; V21-L23 PolarHBondContact O-N 3.26Å; L23-P25 VanDerWaalsContact O-CD 3.29Å; L23-P25 WeakPolarHBondContact O-CD 3.36Å |
| 24 | S | 42.4 | Very low | 53.6 | Low | 94 Ų | 94 | 136.6 Ų | 136.6 | 66% | 0.657 | 74% | 0.738 | S | S | * | * | | | trans | -87.5 | 107.3 | 166 | -69.6 | 0 | 0 | 0 | 0 | 108.2 | S22 V26 | S22-S24 PolarHBondContact O-N 3.33Å; S24-V26 PolarHBondContact O-N 3.2Å |
| 25 | P | 47.2 | Very low | 53.7 | Low | 126 Ų | 126 | 136.3 Ų | 136.3 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | | | trans | -66.7 | 107.5 | 174.3 | 27.5 | -33.2 | 0 | 0 | 0 | 108.9 | L23 S27 | L23-P25 VanDerWaalsContact O-CD 3.29Å; L23-P25 WeakPolarHBondContact O-CD 3.36Å; P25-S27 PolarHBondContact O-N 3.09Å; P25-S27 VanDerWaalsContact O-N 3.14Å |
| 26 | V | 44.7 | Very low | 53.2 | Low | 135 Ų | 135 | 135.4 Ų | 135.4 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | | | trans | -69.4 | 111 | 173.7 | 175.7 | 0 | 0 | 0 | 0 | 107.8 | S24 A28 | S24-V26 PolarHBondContact O-N 3.2Å; V26-A28 PolarHBondContact O-N 2.77Å |
| 27 | S | 48.6 | Very low | 52.5 | Low | 110 Ų | 110 | 138 Ų | 138 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | | | trans | -63.9 | 105.5 | 172.6 | -175.9 | 0 | 0 | 0 | 0 | 109.5 | P25 K29 | P25-S27 PolarHBondContact O-N 3.09Å; P25-S27 VanDerWaalsContact O-N 3.14Å; S27-K29 PolarHBondContact O-N 3.09Å |
| 28 | A | 46.4 | Very low | 52.3 | Low | 96 Ų | 96 | 136.7 Ų | 136.7 | 79% | 0.793 | 75% | 0.754 | S | S | * | * | | | trans | -76.6 | 117.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | V26 | V26-A28 PolarHBondContact O-N 2.77Š|
| 29 | K | 50.6 | Low | 51.3 | Low | 207 Ų | 207 | 140.4 Ų | 140.4 | 90% | 0.9 | 77% | 0.765 | S | S | * | * | | | trans | -121.4 | 131.7 | 170.8 | -130.5 | -167.5 | 179.5 | -158.3 | 0 | 107.8 | S27 | S27-K29 PolarHBondContact O-N 3.09Š|
| 30 | G | 47.4 | Very low | 50.9 | Low | 60 Ų | 60 | 138.3 Ų | 138.3 | 62% | 0.619 | 77% | 0.765 | S | S | * | * | | | trans | 133.7 | 94.9 | -158.7 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 31 | E | 48.5 | Very low | 50.2 | Low | 180 Ų | 180 | 138 Ų | 138 | 84% | 0.841 | 76% | 0.763 | S | S | * | * | | | cis | 76.8 | 117.3 | 44.5 | -156.5 | 171.2 | -172.4 | 0 | 0 | 110.6 | | |
| 32 | E | 47.8 | Very low | 49.8 | Very low | 177 Ų | 177 | 141.1 Ų | 141.1 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | | | trans | 65.1 | 143.7 | -176.9 | -62 | 169.3 | -175.1 | 0 | 0 | 115.8 | | |
| 33 | E | 53.7 | Low | 49.4 | Very low | 164 Ų | 164 | 141.5 Ų | 141.5 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | | | cis | -164.1 | 139.7 | -22.9 | -177.4 | 163.2 | -134.3 | 0 | 0 | 108.7 | | |
| 34 | E | 56.8 | Low | 49.3 | Very low | 168 Ų | 168 | 142.1 Ų | 142.1 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | | | trans | 48.7 | 159.1 | 168.8 | -69 | -173.2 | 141.8 | 0 | 0 | 122.5 | | |
| 35 | D | 55.5 | Low | 49.4 | Very low | 148 Ų | 148 | 144.3 Ų | 144.3 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | | | trans | 51.8 | 83.4 | 159.6 | -65.8 | -9.5 | 0 | 0 | 0 | 121.9 | | |
| 36 | D | 51.1 | Low | 49.2 | Very low | 135 Ų | 135 | 143.3 Ų | 143.3 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | | | trans | -163.3 | 68.8 | 132.2 | -128.5 | -18 | 0 | 0 | 0 | 113.1 | V38 | D36-V38 PolarHBondContact O-N 2.96Š|
| 37 | E | 53.3 | Low | 48.9 | Very low | 203 Ų | 203 | 143.2 Ų | 143.2 | 95% | 0.949 | 76% | 0.757 | S | S | * | * | | | trans | -74.3 | 63.6 | 175.9 | -71.7 | -164.4 | 159.8 | 0 | 0 | 113.1 | | |
| 38 | V | 57.6 | Low | 48.4 | Very low | 106 Ų | 106 | 143 Ų | 143 | 64% | 0.642 | 76% | 0.755 | S | S | * | * | | | trans | -107 | 17 | 172.7 | -71 | 0 | 0 | 0 | 0 | 113.9 | D36 V40 | D36-V38 PolarHBondContact O-N 2.96Å; V38-V40 PolarHBondContact O-N 2.93Å |
| 39 | F | 45.8 | Very low | 47.9 | Very low | 195 Ų | 195 | 143.3 Ų | 143.3 | 86% | 0.855 | 75% | 0.747 | S | S | * | * | | | trans | -81.9 | 89.6 | 154.6 | -70.9 | -78.1 | 0 | 0 | 0 | 108.8 | D41 | F39-D41 VanDerWaalsContact C-N 3.26Å; F39-D41 PolarHBondContact O-N 2.82Å |
| 40 | V | 47.5 | Very low | 47.7 | Very low | 111 Ų | 111 | 141.3 Ų | 141.3 | 67% | 0.673 | 75% | 0.746 | S | S | * | * | | | trans | -64.7 | 93.6 | 166.8 | -177 | 0 | 0 | 0 | 0 | 107.2 | V38 H42 | V38-V40 PolarHBondContact O-N 2.93Å; V40-H42 PolarHBondContact O-N 2.78Å; V40-H42 PolarHBondContact O-ND1 3.19Å |
| 41 | D | 45.1 | Very low | 47.5 | Very low | 135 Ų | 135 | 145 Ų | 145 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | | | trans | -55.3 | 110.3 | 168.9 | -106.3 | -19.7 | 0 | 0 | 0 | 107.5 | F39 T43 | F39-D41 VanDerWaalsContact C-N 3.26Å; F39-D41 PolarHBondContact O-N 2.82Å; D41-T43 PolarHBondContact O-N 3.22Å |
| 42 | H | 45.2 | Very low | 47.3 | Very low | 164 Ų | 164 | 142.5 Ų | 142.5 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | | | trans | -74.8 | 68.1 | 174.3 | -72.7 | 32 | 0 | 0 | 0 | 107.8 | V40 E44 | V40-H42 PolarHBondContact O-N 2.78Å; V40-H42 PolarHBondContact O-ND1 3.19Å; H42-E44 PolarHBondContact O-N 3.19Å |
| 43 | T | 48.8 | Very low | 47.1 | Very low | 103 Ų | 103 | 138.6 Ų | 138.6 | 63% | 0.632 | 75% | 0.746 | S | S | * | * | | | trans | -65 | 78.6 | 159.1 | 46.7 | 0 | 0 | 0 | 0 | 107.1 | D41 Q45 | D41-T43 PolarHBondContact O-N 3.22Å; T43-Q45 PolarHBondContact O-N 3.09Å |
| 44 | E | 51.1 | Low | 46.8 | Very low | 167 Ų | 167 | 138.1 Ų | 138.1 | 78% | 0.78 | 74% | 0.744 | S | S | * | * | | | trans | -62.7 | 82.5 | 160.9 | 52.1 | -175.9 | 169.8 | 0 | 0 | 107.3 | H42 C46 | H42-E44 PolarHBondContact O-N 3.19Å; E44-C46 PolarHBondContact O-N 3.39Å |
| 45 | Q | 44.1 | Very low | 46 | Very low | 140 Ų | 140 | 136 Ų | 136 | 65% | 0.654 | 75% | 0.745 | S | S | * | * | | | trans | -62.8 | 86.9 | 171.9 | -66.4 | -176.4 | 12 | 0 | 0 | 106.7 | T43 L47 | T43-Q45 PolarHBondContact O-N 3.09Å; Q45-L47 HydrophobicContact CB-CD2 4.48Å; Q45-L47 HydrophobicContact CB-CG 4.16Å; Q45-L47 PolarHBondContact O-N 3.32Å |
| 46 | C | 44 | Very low | 45.5 | Very low | 105 Ų | 105 | 136 Ų | 136 | 71% | 0.709 | 74% | 0.74 | S | S | * | * | | | trans | -65.1 | 77.8 | 164.6 | -71.7 | 0 | 0 | 0 | 0 | 107 | E44 S48 | E44-C46 PolarHBondContact O-N 3.39Å; C46-S48 PolarHBondContact O-N 3.08Å |
| 47 | L | 37.8 | Very low | 45.4 | Very low | 134 Ų | 134 | 139.5 Ų | 139.5 | 70% | 0.702 | 75% | 0.752 | S | S | * | * | | | trans | -69.8 | 65.3 | 169.5 | -65.3 | 176.5 | 0 | 0 | 0 | 108.5 | Q45 T49 | Q45-L47 HydrophobicContact CB-CD2 4.48Å; Q45-L47 HydrophobicContact CB-CG 4.16Å; Q45-L47 PolarHBondContact O-N 3.32Å; L47-T49 PolarHBondContact O-N 3.46Å |
| 48 | S | 39.3 | Very low | 45 | Very low | 106 Ų | 106 | 133.2 Ų | 133.2 | 74% | 0.741 | 74% | 0.741 | S | S | * | * | | | trans | -59.1 | 86.2 | 150.5 | -66 | 0 | 0 | 0 | 0 | 106.2 | C46 D50 | C46-S48 PolarHBondContact O-N 3.08Å; S48-D50 PolarHBondContact O-N 3.3Å; S48-D50 VanDerWaalsContact O-N 3.15Å |
| 49 | T | 35.8 | Very low | 44.5 | Very low | 102 Ų | 102 | 132.5 Ų | 132.5 | 63% | 0.626 | 76% | 0.756 | S | S | * | * | | | trans | -58.2 | 119.4 | 174.4 | 46.6 | 0 | 0 | 0 | 0 | 108.2 | L47 L51 | L47-T49 PolarHBondContact O-N 3.46Å; T49-L51 PolarHBondContact O-N 3.19Å |
| 50 | D | 46.6 | Very low | 44.5 | Very low | 164 Ų | 164 | 126.9 Ų | 126.9 | 88% | 0.877 | 75% | 0.753 | S | S | * | * | | | trans | -64.4 | 75.8 | 171.3 | -80.2 | -47.4 | 0 | 0 | 0 | 110.4 | S48 S52 | S48-D50 PolarHBondContact O-N 3.3Å; S48-D50 VanDerWaalsContact O-N 3.15Å; D50-S52 PolarHBondContact O-N 3.04Å |
| 51 | L | 43 | Very low | 44.7 | Very low | 139 Ų | 139 | 125.3 Ų | 125.3 | 73% | 0.728 | 76% | 0.759 | S | S | * | * | | | trans | -75.6 | 78.6 | 165.4 | -74.3 | 177 | 0 | 0 | 0 | 108.2 | T49 S53 | T49-L51 PolarHBondContact O-N 3.19Å; L51-S53 PolarHBondContact O-N 3.46Å; L51-S53 PolarHBondContact O-OG 3.37Å; L51-S53 VanDerWaalsContact O-OG 3.11Å |
| 52 | S | 44.6 | Very low | 45 | Very low | 127 Ų | 127 | 125.5 Ų | 125.5 | 89% | 0.888 | 77% | 0.765 | S | S | * | * | | | trans | -54.7 | 89.8 | 162.2 | -175.3 | 0 | 0 | 0 | 0 | 109.1 | D50 | D50-S52 PolarHBondContact O-N 3.04Š|
| 53 | S | 42 | Very low | 45.1 | Very low | 95 Ų | 95 | 125.7 Ų | 125.7 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | | | trans | -124.6 | 96.4 | 175.4 | 48.2 | 0 | 0 | 0 | 0 | 107.1 | L51 P55 | L51-S53 PolarHBondContact O-N 3.46Å; L51-S53 PolarHBondContact O-OG 3.37Å; L51-S53 VanDerWaalsContact O-OG 3.11Å; S53-P55 WeakPolarHBondContact O-CD 3.49Å; S53-P55 VanDerWaalsContact O-N 3.16Å |
| 54 | Q | 49.1 | Very low | 45.4 | Very low | 153 Ų | 153 | 124.1 Ų | 124.1 | 72% | 0.715 | 76% | 0.764 | S | S | * | * | | | trans | -39.4 | 114.8 | 170.2 | 168.5 | -178.4 | -25 | 0 | 0 | 110.8 | E56 | Q54-E56 PolarHBondContact NE2-OE1 2.99Å; Q54-E56 PolarHBondContact O-N 2.95Å |
| 55 | P | 39.3 | Very low | 45.7 | Very low | 124 Ų | 124 | 121.3 Ų | 121.3 | 81% | 0.805 | 76% | 0.758 | S | S | * | * | | | trans | -75.4 | 97.2 | 171 | 29.9 | -31.3 | 0 | 0 | 0 | 108.7 | S53 | S53-P55 WeakPolarHBondContact O-CD 3.49Å; S53-P55 VanDerWaalsContact O-N 3.16Å |
| 56 | E | 43.7 | Very low | 46.7 | Very low | 149 Ų | 149 | 126.3 Ų | 126.3 | 70% | 0.696 | 77% | 0.771 | S | S | * | * | | | trans | -55.8 | 147.2 | 161.9 | -75.8 | -72.3 | 102.7 | 0 | 0 | 110.3 | Q54 G58 | Q54-E56 PolarHBondContact NE2-OE1 2.99Å; Q54-E56 PolarHBondContact O-N 2.95Å; E56-G58 PolarHBondContact O-N 3.25Å |
| 57 | E | 50.9 | Low | 48.4 | Very low | 207 Ų | 207 | 126.4 Ų | 126.4 | 97% | 0.967 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -69.8 | 97.1 | -174.6 | -169.2 | 177.1 | 165.7 | 0 | 0 | 111.6 | | |
| 58 | G | 43.6 | Very low | 50.5 | Low | 71 Ų | 71 | 125.6 Ų | 125.6 | 73% | 0.732 | 77% | 0.771 | S | S | * | * | | | trans | -152.6 | 105.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E56 | E56-G58 PolarHBondContact O-N 3.25Š|
| 59 | G | 47.2 | Very low | 52.9 | Low | 92 Ų | 92 | 125.2 Ų | 125.2 | 95% | 0.948 | 76% | 0.76 | S | S | * | * | | | trans | -75.5 | 144.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 60 | G | 45.4 | Very low | 55.6 | Low | 76 Ų | 76 | 123.7 Ų | 123.7 | 78% | 0.784 | 75% | 0.751 | S | S | * | * | | | trans | 175.1 | 82.9 | 174 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 61 | G | 53.2 | Low | 57.8 | Low | 79 Ų | 79 | 119.8 Ų | 119.8 | 81% | 0.814 | 74% | 0.741 | S | S | * | * | | | trans | 58.7 | 66.6 | 161.7 | 0 | 0 | 0 | 0 | 0 | 116 | Q63 | G61-Q63 PolarHBondContact O-N 3.14Š|
| 62 | V | 50.1 | Low | 60.3 | Low | 138 Ų | 138 | 119 Ų | 119 | 84% | 0.836 | 74% | 0.738 | S | S | * | * | | | trans | -60.6 | 103.7 | 176.4 | -177.5 | 0 | 0 | 0 | 0 | 110.5 | A64 | V62-A64 PolarHBondContact O-N 3.37Å; V62-A64 VanDerWaalsContact O-N 3.14Å |
| 63 | Q | 48.2 | Very low | 62.7 | Low | 168 Ų | 168 | 117.7 Ų | 117.7 | 79% | 0.785 | 72% | 0.717 | S | S | * | * | | | trans | -60.2 | 113.5 | 157.2 | 179.7 | 177.6 | 9.2 | 0 | 0 | 106.6 | G61 V65 | G61-Q63 PolarHBondContact O-N 3.14Å; Q63-V65 PolarHBondContact O-N 2.85Å |
| 64 | A | 53.9 | Low | 65.2 | Low | 71 Ų | 71 | 117.8 Ų | 117.8 | 59% | 0.587 | 71% | 0.71 | S | S | * | * | | | trans | -68.8 | 82.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | V62 W66 | V62-A64 PolarHBondContact O-N 3.37Å; V62-A64 VanDerWaalsContact O-N 3.14Å; A64-W66 PolarHBondContact O-N 3.38Å |
| 65 | V | 57.8 | Low | 67.5 | Low | 107 Ų | 107 | 115.4 Ų | 115.4 | 65% | 0.648 | 70% | 0.699 | S | S | * | * | | | trans | -63 | 116.2 | 163.6 | 177.7 | 0 | 0 | 0 | 0 | 106.3 | Q63 T67 | Q63-V65 PolarHBondContact O-N 2.85Å; V65-T67 PolarHBondContact O-N 3.46Å |
| 66 | W | 64.8 | Low | 70.2 | Confident | 245 Ų | 245 | 112 Ų | 112 | 93% | 0.928 | 68% | 0.682 | S | S | * | * | | | trans | -75.5 | 75.1 | 174.8 | -67.4 | 84.3 | 0 | 0 | 0 | 109.2 | A64 | A64-W66 PolarHBondContact O-N 3.38Š|
| 67 | T | 80.7 | Confident | 72.7 | Confident | 107 Ų | 107 | 108.5 Ų | 108.5 | 66% | 0.656 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 135.6 | 164 | 26.3 | 0 | 0 | 0 | 0 | 108.9 | V65 L69 | V65-T67 PolarHBondContact O-N 3.46Å; T67-L69 PolarHBondContact O-N 3.21Å |
| 68 | P | 82.3 | Confident | 74.9 | Confident | 118 Ų | 118 | 101.7 Ų | 101.7 | 77% | 0.766 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 132.5 | 168.4 | -23.5 | 34.1 | 0 | 0 | 0 | 109.7 | T70 | P68-T70 PolarHBondContact O-N 2.88Š|
| 69 | L | 89.9 | Confident | 77.5 | Confident | 98 Ų | 98 | 104 Ų | 104 | 51% | 0.513 | 63% | 0.634 | S | S | . | * | P | Polyproline II helix | trans | -58.8 | 138.1 | 173.5 | -64.4 | 175.4 | 0 | 0 | 0 | 109.3 | T67 Q73 | T67-L69 PolarHBondContact O-N 3.21Å; L69-Q73 HydrophobicContact CB-CB 4.16Å; L69-Q73 HydrophobicContact CD2-CB 4.32Å |
| 70 | T | 92.3 | Very high | 79.8 | Confident | 70 Ų | 70 | 105.2 Ų | 105.2 | 43% | 0.429 | 62% | 0.616 | S | S | . | * | P | Polyproline II helix | trans | -64.9 | 159.3 | 170.6 | 69.1 | 0 | 0 | 0 | 0 | 110.1 | P68 D72 Q73 L74 | P68-T70 PolarHBondContact O-N 2.88Å; T70-D72 PolarHBondContact O-N 2.97Å; T70-Q73 VanDerWaalsContact N-OE1 3.12Å; T70-Q73 PolarHBondContact O-N 2.97Å; T70-Q73 VanDerWaalsContact O-N 3.09Å; T70-Q73 VanDerWaalsContact OG1-CG 3.31Å; T70-Q73 WeakPolarHBondContact OG1-CG 3.48Å; T70-Q73 PolarHBondContact OG1-N 3.12Å; T70-L74 PolarHBondContact O-N 2.82Å |
| 71 | A | 91.9 | Very high | 82.3 | Confident | 81 Ų | 81 | 104.1 Ų | 104.1 | 67% | 0.669 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -54.3 | -40.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | L74 E75 | A71-L74 PolarHBondContact O-N 2.9Å; A71-E75 WeakPolarHBondContact O-CB 3.34Å; A71-E75 PolarHBondContact O-N 2.78Å |
| 72 | D | 95.1 | Very high | 84.4 | Confident | 123 Ų | 123 | 107.1 Ų | 107.1 | 66% | 0.658 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -68.5 | -37.8 | 179.1 | -40.3 | -54.3 | 0 | 0 | 0 | 112.3 | T70 E75 A76 | T70-D72 PolarHBondContact O-N 2.97Å; D72-E75 PolarHBondContact O-N 2.84Å; D72-A76 WeakPolarHBondContact O-CB 3.06Å; D72-A76 PolarHBondContact O-N 3.11Å |
| 73 | Q | 95.1 | Very high | 86.6 | Confident | 99 Ų | 99 | 106.7 Ų | 106.7 | 46% | 0.463 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.6 | -41.6 | 174.4 | -73.4 | 171.2 | -7.1 | 0 | 0 | 111.4 | L69 T70 A76 V77 | L69-Q73 HydrophobicContact CB-CB 4.16Å; L69-Q73 HydrophobicContact CD2-CB 4.32Å; T70-Q73 VanDerWaalsContact N-OE1 3.12Å; T70-Q73 PolarHBondContact O-N 2.97Å; T70-Q73 VanDerWaalsContact O-N 3.09Å; T70-Q73 VanDerWaalsContact OG1-CG 3.31Å; T70-Q73 WeakPolarHBondContact OG1-CG 3.48Å; T70-Q73 PolarHBondContact OG1-N 3.12Å; Q73-A76 PolarHBondContact O-N 2.9Å; Q73-V77 WeakPolarHBondContact O-CG2 3.4Å; Q73-V77 PolarHBondContact O-N 2.85Å |
| 74 | L | 95.8 | Very high | 88.9 | Confident | 97 Ų | 97 | 102.6 Ų | 102.6 | 51% | 0.508 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.4 | -42.2 | 175.1 | -178.9 | 61.3 | 0 | 0 | 0 | 111.1 | T70 A71 A76 V77 C78 | T70-L74 PolarHBondContact O-N 2.82Å; A71-L74 PolarHBondContact O-N 2.9Å; L74-A76 VanDerWaalsContact C-N 3.35Å; L74-V77 PolarHBondContact O-N 3.06Å; L74-C78 WeakPolarHBondContact O-CB 3.25Å; L74-C78 PolarHBondContact O-N 3.13Å; L74-C78 PolarHBondContact O-SG 3.14Å |
| 75 | E | 96.5 | Very high | 90.9 | Very high | 103 Ų | 103 | 101.9 Ų | 101.9 | 48% | 0.481 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65 | -38.5 | 176.1 | -154.2 | -150.6 | 176.9 | 0 | 0 | 111.8 | A71 D72 C78 K79 | A71-E75 WeakPolarHBondContact O-CB 3.34Å; A71-E75 PolarHBondContact O-N 2.78Å; D72-E75 PolarHBondContact O-N 2.84Å; E75-C78 PolarHBondContact O-N 3.18Å; E75-K79 HydrophobicContact CG-CD 4.48Å; E75-K79 WeakPolarHBondContact O-CB 3.37Å; E75-K79 VanDerWaalsContact O-CG 3.27Å; E75-K79 WeakPolarHBondContact O-CG 3.44Å; E75-K79 PolarHBondContact O-N 2.67Å; E75-K79 WeakPolarHBondContact OE1-CE 3.47Å; E75-K79 IonicContact OE1-NZ 2.75Å; E75-K79 PolarHBondContact OE1-NZ 3.18Å; E75-K79 IonicContact OE2-NZ 2.65Å; E75-K79 PolarHBondContact OE2-NZ 2.9Å |
| 76 | A | 96.1 | Very high | 92.7 | Very high | 54 Ų | 54 | 99.8 Ų | 99.8 | 45% | 0.446 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.8 | -45.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D72 Q73 L74 C78 K79 E80 | D72-A76 WeakPolarHBondContact O-CB 3.06Å; D72-A76 PolarHBondContact O-N 3.11Å; Q73-A76 PolarHBondContact O-N 2.9Å; L74-A76 VanDerWaalsContact C-N 3.35Å; A76-C78 VanDerWaalsContact C-N 3.34Å; A76-C78 PolarHBondContact O-N 2.89Å; A76-K79 PolarHBondContact O-N 3.25Å; A76-E80 PolarHBondContact O-N 3.05Å |
| 77 | V | 97.1 | Very high | 94 | Very high | 74 Ų | 74 | 93.4 Ų | 93.4 | 45% | 0.448 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.2 | -40.3 | 174.7 | 169.4 | 0 | 0 | 0 | 0 | 111.3 | Q73 L74 E80 A81 | Q73-V77 WeakPolarHBondContact O-CG2 3.4Å; Q73-V77 PolarHBondContact O-N 2.85Å; L74-V77 PolarHBondContact O-N 3.06Å; V77-E80 PolarHBondContact O-N 2.98Å; V77-A81 VanDerWaalsContact O-CB 3.28Å; V77-A81 WeakPolarHBondContact O-CB 3.43Å; V77-A81 PolarHBondContact O-N 3.42Å |
| 78 | C | 96.3 | Very high | 94.4 | Very high | 64 Ų | 64 | 95.3 Ų | 95.3 | 43% | 0.432 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64 | -42.1 | 174.2 | -72.7 | 0 | 0 | 0 | 0 | 112.2 | L74 E75 A76 A81 H82 | L74-C78 WeakPolarHBondContact O-CB 3.25Å; L74-C78 PolarHBondContact O-N 3.13Å; L74-C78 PolarHBondContact O-SG 3.14Å; E75-C78 PolarHBondContact O-N 3.18Å; A76-C78 VanDerWaalsContact C-N 3.34Å; A76-C78 PolarHBondContact O-N 2.89Å; C78-A81 PolarHBondContact O-N 3Å; C78-H82 WeakPolarHBondContact O-CB 3.4Å; C78-H82 PolarHBondContact O-CD2 2.71Å; C78-H82 PolarHBondContact O-N 2.88Å |
| 79 | K | 97.4 | Very high | 94.5 | Very high | 120 Ų | 120 | 97.5 Ų | 97.5 | 52% | 0.522 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 175.1 | -74.9 | 164.3 | 178.9 | 168.7 | 0 | 111.9 | E75 A76 K83 | E75-K79 HydrophobicContact CG-CD 4.48Å; E75-K79 WeakPolarHBondContact O-CB 3.37Å; E75-K79 VanDerWaalsContact O-CG 3.27Å; E75-K79 WeakPolarHBondContact O-CG 3.44Å; E75-K79 PolarHBondContact O-N 2.67Å; E75-K79 WeakPolarHBondContact OE1-CE 3.47Å; E75-K79 IonicContact OE1-NZ 2.75Å; E75-K79 PolarHBondContact OE1-NZ 3.18Å; E75-K79 IonicContact OE2-NZ 2.65Å; E75-K79 PolarHBondContact OE2-NZ 2.9Å; A76-K79 PolarHBondContact O-N 3.25Å; K79-K83 WeakPolarHBondContact O-CB 3.38Å; K79-K83 PolarHBondContact O-N 3.14Å |
| 80 | E | 96.7 | Very high | 94 | Very high | 118 Ų | 118 | 98.1 Ų | 98.1 | 55% | 0.551 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.4 | -45.4 | 175.3 | -177.8 | 166.6 | -142.8 | 0 | 0 | 112.1 | A76 V77 H82 K83 L84 | A76-E80 PolarHBondContact O-N 3.05Å; V77-E80 PolarHBondContact O-N 2.98Å; E80-H82 VanDerWaalsContact C-N 3.31Å; E80-H82 PolarHBondContact O-N 2.97Å; E80-K83 WeakPolarHBondContact O-CB 3.49Å; E80-K83 PolarHBondContact O-N 2.96Å; E80-K83 VanDerWaalsContact O-N 3.15Å; E80-L84 HydrophobicContact CG-CD1 4.08Å; E80-L84 HydrophobicContact CG-CG 4.43Å; E80-L84 WeakPolarHBondContact O-CG 3.48Å; E80-L84 PolarHBondContact O-N 3.37Å |
| 81 | A | 97.4 | Very high | 92.5 | Very high | 53 Ų | 53 | 96.9 Ų | 96.9 | 44% | 0.438 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.2 | -40.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V77 C78 L84 A85 | V77-A81 VanDerWaalsContact O-CB 3.28Å; V77-A81 WeakPolarHBondContact O-CB 3.43Å; V77-A81 PolarHBondContact O-N 3.42Å; C78-A81 PolarHBondContact O-N 3Å; A81-L84 PolarHBondContact O-N 2.83Å; A81-A85 WeakPolarHBondContact O-CB 3.49Å; A81-A85 PolarHBondContact O-N 3.22Å |
| 82 | H | 97 | Very high | 90.8 | Very high | 141 Ų | 141 | 101 Ų | 101 | 65% | 0.653 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.2 | -43.9 | 173 | -84 | -128 | 0 | 0 | 0 | 112 | C78 E80 L84 A85 S86 | C78-H82 WeakPolarHBondContact O-CB 3.4Å; C78-H82 PolarHBondContact O-CD2 2.71Å; C78-H82 PolarHBondContact O-N 2.88Å; E80-H82 VanDerWaalsContact C-N 3.31Å; E80-H82 PolarHBondContact O-N 2.97Å; H82-L84 VanDerWaalsContact C-N 3.33Å; H82-L84 PolarHBondContact O-N 3.26Å; H82-A85 PolarHBondContact O-N 3.08Å; H82-S86 PolarHBondContact O-N 2.93Å; H82-S86 PolarHBondContact O-OG 3.42Å |
| 83 | K | 96.8 | Very high | 88.7 | Confident | 129 Ų | 129 | 100 Ų | 100 | 56% | 0.561 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -58.4 | -44 | 174.7 | 178.3 | -171.6 | 172.9 | -168 | 0 | 111.6 | K79 E80 S86 Q87 | K79-K83 WeakPolarHBondContact O-CB 3.38Å; K79-K83 PolarHBondContact O-N 3.14Å; E80-K83 WeakPolarHBondContact O-CB 3.49Å; E80-K83 PolarHBondContact O-N 2.96Å; E80-K83 VanDerWaalsContact O-N 3.15Å; K83-S86 PolarHBondContact O-N 2.79Å; K83-Q87 WeakPolarHBondContact O-CB 3.41Å; K83-Q87 WeakPolarHBondContact O-CG 3.45Å; K83-Q87 PolarHBondContact O-N 3.31Å |
| 84 | L | 96.1 | Very high | 86.4 | Confident | 83 Ų | 83 | 103.8 Ų | 103.8 | 44% | 0.435 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.7 | -41.2 | 176.7 | -70.4 | 171 | 0 | 0 | 0 | 111.8 | E80 A81 H82 S86 Q87 L88 | E80-L84 HydrophobicContact CG-CD1 4.08Å; E80-L84 HydrophobicContact CG-CG 4.43Å; E80-L84 WeakPolarHBondContact O-CG 3.48Å; E80-L84 PolarHBondContact O-N 3.37Å; A81-L84 PolarHBondContact O-N 2.83Å; H82-L84 VanDerWaalsContact C-N 3.33Å; H82-L84 PolarHBondContact O-N 3.26Å; L84-S86 PolarHBondContact O-N 3.37Å; L84-Q87 PolarHBondContact O-N 3.42Å; L84-L88 WeakPolarHBondContact O-CG 3.36Å; L84-L88 PolarHBondContact O-N 3.29Å |
| 85 | A | 96.1 | Very high | 84.1 | Confident | 55 Ų | 55 | 103.4 Ų | 103.4 | 46% | 0.455 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60.5 | -44.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A81 H82 L88 Q89 | A81-A85 WeakPolarHBondContact O-CB 3.49Å; A81-A85 PolarHBondContact O-N 3.22Å; H82-A85 PolarHBondContact O-N 3.08Å; A85-L88 PolarHBondContact O-N 2.92Å; A85-Q89 WeakPolarHBondContact O-CB 3.5Å; A85-Q89 PolarHBondContact O-N 3.3Å |
| 86 | S | 94.6 | Very high | 81.5 | Confident | 64 Ų | 64 | 105 Ų | 105 | 45% | 0.448 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.1 | -35.8 | 173 | -61.3 | 0 | 0 | 0 | 0 | 112.8 | H82 K83 L84 L88 Q89 C90 | H82-S86 PolarHBondContact O-N 2.93Å; H82-S86 PolarHBondContact O-OG 3.42Å; K83-S86 PolarHBondContact O-N 2.79Å; L84-S86 PolarHBondContact O-N 3.37Å; S86-L88 VanDerWaalsContact C-N 3.33Å; S86-Q89 PolarHBondContact O-N 3.42Å; S86-C90 VanDerWaalsContact O-CB 3.28Å; S86-C90 WeakPolarHBondContact O-CB 3.31Å; S86-C90 PolarHBondContact O-N 3.19Å; S86-C90 PolarHBondContact O-SG 3.17Å |
| 87 | Q | 92.2 | Very high | 78.8 | Confident | 111 Ų | 111 | 108 Ų | 108 | 52% | 0.519 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -68 | -30.4 | 173.9 | -77.6 | 179.8 | -20.5 | 0 | 0 | 113.1 | K83 L84 G91 | K83-Q87 WeakPolarHBondContact O-CB 3.41Å; K83-Q87 WeakPolarHBondContact O-CG 3.45Å; K83-Q87 PolarHBondContact O-N 3.31Å; L84-Q87 PolarHBondContact O-N 3.42Å; Q87-G91 WeakPolarHBondContact O-CA 3.3Å; Q87-G91 PolarHBondContact O-N 3.44Å |
| 88 | L | 90.3 | Very high | 76.4 | Confident | 147 Ų | 147 | 109.9 Ų | 109.9 | 77% | 0.77 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -81.1 | -24.8 | 173.7 | -67.9 | 171.1 | 0 | 0 | 0 | 112.9 | L84 A85 S86 | L84-L88 WeakPolarHBondContact O-CG 3.36Å; L84-L88 PolarHBondContact O-N 3.29Å; A85-L88 PolarHBondContact O-N 2.92Å; S86-L88 VanDerWaalsContact C-N 3.33Å |
| 89 | Q | 84.9 | Confident | 73.9 | Confident | 164 Ų | 164 | 113.6 Ų | 113.6 | 77% | 0.766 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -86.9 | -38.2 | 178 | -171.5 | 173.8 | 12.6 | 0 | 0 | 112.9 | A85 S86 G91 | A85-Q89 WeakPolarHBondContact O-CB 3.5Å; A85-Q89 PolarHBondContact O-N 3.3Å; S86-Q89 PolarHBondContact O-N 3.42Å; Q89-G91 VanDerWaalsContact C-N 3.33Å |
| 90 | C | 79.3 | Confident | 70.9 | Confident | 110 Ų | 110 | 112.8 Ų | 112.8 | 74% | 0.743 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -85.9 | -9.2 | 170.1 | -58.7 | 0 | 0 | 0 | 0 | 112.2 | S86 E92 | S86-C90 VanDerWaalsContact O-CB 3.28Å; S86-C90 WeakPolarHBondContact O-CB 3.31Å; S86-C90 PolarHBondContact O-N 3.19Å; S86-C90 PolarHBondContact O-SG 3.17Å; C90-E92 PolarHBondContact O-N 3.05Å |
| 91 | G | 60.2 | Low | 68.1 | Low | 45 Ų | 45 | 113.4 Ų | 113.4 | 46% | 0.464 | 63% | 0.629 | S | S | . | * | | | trans | -74.3 | 56.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q87 Q89 | Q87-G91 WeakPolarHBondContact O-CA 3.3Å; Q87-G91 PolarHBondContact O-N 3.44Å; Q89-G91 VanDerWaalsContact C-N 3.33Å |
| 92 | E | 56.3 | Low | 65.1 | Low | 166 Ų | 166 | 118.8 Ų | 118.8 | 78% | 0.776 | 65% | 0.645 | S | S | * | * | | | trans | -50.8 | 130.7 | 165 | -171.9 | 171.4 | -177.1 | 0 | 0 | 107.8 | C90 H94 | C90-E92 PolarHBondContact O-N 3.05Å; E92-H94 PolarHBondContact O-N 3.44Å |
| 93 | P | 50.1 | Low | 62.3 | Low | 103 Ų | 103 | 118 Ų | 118 | 67% | 0.669 | 65% | 0.65 | S | S | * | * | | | trans | -59.6 | 120.4 | -176.1 | 24.5 | -33.9 | 0 | 0 | 0 | 108.3 | V95 | P93-V95 HydrophobicContact CB-CG2 4.33Å; P93-V95 PolarHBondContact O-N 2.92Å |
| 94 | H | 47.6 | Very low | 59.7 | Low | 178 Ų | 178 | 116.6 Ų | 116.6 | 82% | 0.824 | 66% | 0.663 | S | S | * | * | | | trans | -74 | 61.7 | -179.2 | -171.1 | 54.7 | 0 | 0 | 0 | 110.9 | E92 Q96 | E92-H94 PolarHBondContact O-N 3.44Å; H94-Q96 PolarHBondContact O-N 3.05Å; H94-Q96 VanDerWaalsContact O-N 3.1Å |
| 95 | V | 47.3 | Very low | 56.9 | Low | 90 Ų | 90 | 117.9 Ų | 117.9 | 55% | 0.545 | 68% | 0.679 | S | S | . | * | | | trans | -66.3 | 102.6 | 161.6 | -172.9 | 0 | 0 | 0 | 0 | 105.3 | P93 N97 | P93-V95 HydrophobicContact CB-CG2 4.33Å; P93-V95 PolarHBondContact O-N 2.92Å; V95-N97 WeakPolarHBondContact CG1-OD1 3.34Å; V95-N97 PolarHBondContact O-N 3.36Å |
| 96 | Q | 42.7 | Very low | 54.4 | Low | 135 Ų | 135 | 123.3 Ų | 123.3 | 63% | 0.631 | 70% | 0.7 | S | S | * | * | | | trans | -70 | 71.5 | 168.6 | -68.7 | -173.8 | 7 | 0 | 0 | 109 | H94 T98 | H94-Q96 PolarHBondContact O-N 3.05Å; H94-Q96 VanDerWaalsContact O-N 3.1Å; Q96-T98 HydrophobicContact CB-CG2 4.42Å; Q96-T98 PolarHBondContact O-N 3.05Å |
| 97 | N | 39.4 | Very low | 52 | Low | 117 Ų | 117 | 124.3 Ų | 124.3 | 63% | 0.626 | 71% | 0.713 | S | S | * | * | | | trans | -67.5 | 84.5 | 162.7 | -77.4 | -31.4 | 0 | 0 | 0 | 107 | V95 N99 | V95-N97 WeakPolarHBondContact CG1-OD1 3.34Å; V95-N97 PolarHBondContact O-N 3.36Å; N97-N99 PolarHBondContact O-N 3.02Å |
| 98 | T | 45.4 | Very low | 49.4 | Very low | 115 Ų | 115 | 126.2 Ų | 126.2 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | | | trans | -71.9 | 42.9 | 175.5 | 46.9 | 0 | 0 | 0 | 0 | 112.1 | Q96 T100 | Q96-T98 HydrophobicContact CB-CG2 4.42Å; Q96-T98 PolarHBondContact O-N 3.05Å; T98-T100 PolarHBondContact O-N 2.69Å |
| 99 | N | 44.5 | Very low | 47.3 | Very low | 142 Ų | 142 | 125.7 Ų | 125.7 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | | | trans | -80.7 | 40.4 | 170 | -67.5 | -14.3 | 0 | 0 | 0 | 110.8 | N97 T101 | N97-N99 PolarHBondContact O-N 3.02Å; N99-T101 PolarHBondContact O-N 2.9Å |
| 100 | T | 33.6 | Very low | 45.7 | Very low | 102 Ų | 102 | 125.9 Ų | 125.9 | 63% | 0.626 | 74% | 0.736 | S | S | * | * | | | trans | -80.2 | 106.7 | 168.5 | -58 | 0 | 0 | 0 | 0 | 107.3 | T98 H102 | T98-T100 PolarHBondContact O-N 2.69Å; T100-H102 VanDerWaalsContact C-N 3.34Å; T100-H102 PolarHBondContact O-CD2 3.38Å; T100-H102 PolarHBondContact O-N 3.17Å |
| 101 | T | 39.5 | Very low | 44.1 | Very low | 131 Ų | 131 | 125 Ų | 125 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | | | trans | -62.3 | 90.9 | 176.4 | -52.3 | 0 | 0 | 0 | 0 | 110.6 | N99 T103 | N99-T101 PolarHBondContact O-N 2.9Å; T101-T103 PolarHBondContact O-N 2.96Å |
| 102 | H | 34 | Very low | 43.6 | Very low | 166 Ų | 166 | 127 Ų | 127 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | | | trans | -72 | 96.3 | 174.7 | -91.6 | -91.7 | 0 | 0 | 0 | 110.6 | T100 | T100-H102 VanDerWaalsContact C-N 3.34Å; T100-H102 PolarHBondContact O-CD2 3.38Å; T100-H102 PolarHBondContact O-N 3.17Å |
| 103 | T | 37.5 | Very low | 43.2 | Very low | 124 Ų | 124 | 123.3 Ų | 123.3 | 76% | 0.761 | 73% | 0.732 | S | S | * | * | | | trans | -58.2 | 138.4 | 150.5 | 46.6 | 0 | 0 | 0 | 0 | 109 | T101 | T101-T103 PolarHBondContact O-N 2.96Š|
| 104 | A | 42 | Very low | 43.3 | Very low | 101 Ų | 101 | 122.4 Ų | 122.4 | 84% | 0.835 | 73% | 0.733 | S | S | * | * | | | trans | -66.8 | 141.2 | -164.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 105 | S | 38.3 | Very low | 43.5 | Very low | 109 Ų | 109 | 117.9 Ų | 117.9 | 76% | 0.762 | 72% | 0.718 | S | S | * | * | | | trans | -158.1 | 123.7 | 149.3 | 60 | 0 | 0 | 0 | 0 | 108.6 | | |
| 106 | D | 43.9 | Very low | 43.7 | Very low | 169 Ų | 169 | 119 Ų | 119 | 90% | 0.904 | 72% | 0.717 | S | S | * | * | | | trans | -69.6 | 132.9 | -172.1 | -52.6 | -96 | 0 | 0 | 0 | 113.9 | | |
| 107 | A | 43.3 | Very low | 44.4 | Very low | 86 Ų | 86 | 119.7 Ų | 119.7 | 71% | 0.711 | 72% | 0.721 | S | S | * | * | | | trans | -159.5 | 131.2 | 158.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 108 | D | 37.1 | Very low | 45 | Very low | 151 Ų | 151 | 121.6 Ų | 121.6 | 81% | 0.807 | 72% | 0.724 | S | S | * | * | | | trans | 52.5 | 64.5 | 152.2 | -55.6 | -23.2 | 0 | 0 | 0 | 119.8 | N110 | D108-N110 VanDerWaalsContact C-N 3.34Å; D108-N110 PolarHBondContact O-N 3.38Å |
| 109 | T | 47.2 | Very low | 45.7 | Very low | 136 Ų | 136 | 121.3 Ų | 121.3 | 83% | 0.834 | 72% | 0.717 | S | S | * | * | | | trans | -68.7 | 78.4 | 163.6 | 45.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 110 | N | 50.8 | Low | 46.4 | Very low | 167 Ų | 167 | 120.4 Ų | 120.4 | 89% | 0.893 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -151.7 | 8 | 171.1 | -107.9 | -36.5 | 0 | 0 | 0 | 117.6 | D108 | D108-N110 VanDerWaalsContact C-N 3.34Å; D108-N110 PolarHBondContact O-N 3.38Å |
| 111 | S | 45.6 | Very low | 47.6 | Very low | 93 Ų | 93 | 120.5 Ų | 120.5 | 65% | 0.65 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -115.2 | -12.6 | -179.7 | 56.6 | 0 | 0 | 0 | 0 | 115.4 | | |
| 112 | V | 49 | Very low | 48.7 | Very low | 86 Ų | 86 | 117.1 Ų | 117.1 | 52% | 0.521 | 68% | 0.684 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.1 | -28.8 | -166.7 | 178.9 | 0 | 0 | 0 | 0 | 113.9 | A114 T115 E116 | V112-A114 VanDerWaalsContact C-N 3.31Å; V112-A114 PolarHBondContact O-N 3.24Å; V112-T115 PolarHBondContact O-N 3.47Å; V112-T115 PolarHBondContact O-OG1 2.97Å; V112-T115 VanDerWaalsContact O-OG1 3.08Å; V112-E116 PolarHBondContact O-N 3.31Å |
| 113 | A | 48.3 | Very low | 50.1 | Low | 89 Ų | 89 | 116 Ų | 116 | 74% | 0.736 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -62.7 | -30.8 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 114 | A | 52.4 | Low | 51.4 | Low | 84 Ų | 84 | 115 Ų | 115 | 69% | 0.694 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -87.3 | -14.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | V112 | V112-A114 VanDerWaalsContact C-N 3.31Å; V112-A114 PolarHBondContact O-N 3.24Å |
| 115 | T | 52 | Low | 52.4 | Low | 82 Ų | 82 | 116.8 Ų | 116.8 | 50% | 0.503 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -96 | -29.7 | 179.9 | 43.5 | 0 | 0 | 0 | 0 | 112.7 | V112 I119 | V112-T115 PolarHBondContact O-N 3.47Å; V112-T115 PolarHBondContact O-OG1 2.97Å; V112-T115 VanDerWaalsContact O-OG1 3.08Å; T115-I119 WeakPolarHBondContact O-CG1 3.28Å; T115-I119 PolarHBondContact O-N 3.13Å |
| 116 | E | 52.1 | Low | 53.6 | Low | 114 Ų | 114 | 117.2 Ų | 117.2 | 53% | 0.533 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -70.7 | -43.2 | -177.3 | -166 | 167.9 | -179.5 | 0 | 0 | 112.6 | V112 F118 I119 Q120 | V112-E116 PolarHBondContact O-N 3.31Å; E116-F118 PolarHBondContact O-N 3.37Å; E116-I119 PolarHBondContact O-N 3.12Å; E116-Q120 WeakPolarHBondContact O-CB 3.5Å; E116-Q120 PolarHBondContact O-N 3.23Å |
| 117 | E | 56.7 | Low | 54.2 | Low | 150 Ų | 150 | 110.6 Ų | 110.6 | 70% | 0.701 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -54.9 | -48 | 176.9 | -175.8 | 179.6 | -159.1 | 0 | 0 | 111.7 | I119 Q120 D121 | E117-I119 PolarHBondContact O-N 3.38Å; E117-Q120 PolarHBondContact O-N 3.45Å; E117-D121 WeakPolarHBondContact O-CB 3.16Å; E117-D121 PolarHBondContact O-N 2.96Å |
| 118 | F | 52.3 | Low | 54.9 | Low | 157 Ų | 157 | 112.7 Ų | 112.7 | 69% | 0.689 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -69.9 | -32.6 | -176.8 | -156.4 | -91.2 | 0 | 0 | 0 | 113 | E116 T122 | E116-F118 PolarHBondContact O-N 3.37Å; F118-T122 HydrophobicContact CD1-CG2 4.43Å; F118-T122 HydrophobicContact CE1-CG2 4.38Å; F118-T122 WeakPolarHBondContact O-CG2 3.48Å; F118-T122 PolarHBondContact O-N 3.46Å |
| 119 | I | 59.7 | Low | 55.9 | Low | 109 Ų | 109 | 110.9 Ų | 110.9 | 56% | 0.559 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -68.8 | -48.7 | 174.3 | -68.1 | 168.3 | 0 | 0 | 0 | 109.7 | T115 E116 E117 D121 T122 E123 | T115-I119 WeakPolarHBondContact O-CG1 3.28Å; T115-I119 PolarHBondContact O-N 3.13Å; E116-I119 PolarHBondContact O-N 3.12Å; E117-I119 PolarHBondContact O-N 3.38Å; I119-D121 VanDerWaalsContact C-N 3.31Å; I119-D121 PolarHBondContact O-N 3.44Å; I119-T122 PolarHBondContact O-N 3.37Å; I119-T122 PolarHBondContact O-OG1 3.3Å; I119-E123 PolarHBondContact O-N 2.88Å |
| 120 | Q | 60.1 | Low | 56.1 | Low | 122 Ų | 122 | 106.7 Ų | 106.7 | 57% | 0.57 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -61.1 | -40 | -179.2 | -165.5 | 163.1 | 91 | 0 | 0 | 111.7 | E116 E117 T122 E123 V124 | E116-Q120 WeakPolarHBondContact O-CB 3.5Å; E116-Q120 PolarHBondContact O-N 3.23Å; E117-Q120 PolarHBondContact O-N 3.45Å; Q120-T122 VanDerWaalsContact C-N 3.35Å; Q120-T122 PolarHBondContact O-N 3.1Å; Q120-E123 PolarHBondContact O-N 3.38Å; Q120-V124 WeakPolarHBondContact O-CG2 3.43Å; Q120-V124 PolarHBondContact O-N 2.57Å |
| 121 | D | 58.5 | Low | 56.1 | Low | 104 Ų | 104 | 106.4 Ų | 106.4 | 56% | 0.556 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65.1 | -35.7 | 174.6 | -149.4 | 48.2 | 0 | 0 | 0 | 112 | E117 I119 K125 | E117-D121 WeakPolarHBondContact O-CB 3.16Å; E117-D121 PolarHBondContact O-N 2.96Å; I119-D121 VanDerWaalsContact C-N 3.31Å; I119-D121 PolarHBondContact O-N 3.44Å; D121-K125 WeakPolarHBondContact O-CB 3.49Å; D121-K125 PolarHBondContact O-N 3.14Å; D121-K125 VanDerWaalsContact O-N 3.08Å |
| 122 | T | 62 | Low | 56.1 | Low | 60 Ų | 60 | 106.5 Ų | 106.5 | 37% | 0.368 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -69.7 | -35.3 | 172.5 | 60.9 | 0 | 0 | 0 | 0 | 113.7 | F118 I119 Q120 K125 L126 | F118-T122 HydrophobicContact CD1-CG2 4.43Å; F118-T122 HydrophobicContact CE1-CG2 4.38Å; F118-T122 WeakPolarHBondContact O-CG2 3.48Å; F118-T122 PolarHBondContact O-N 3.46Å; I119-T122 PolarHBondContact O-N 3.37Å; I119-T122 PolarHBondContact O-OG1 3.3Å; Q120-T122 VanDerWaalsContact C-N 3.35Å; Q120-T122 PolarHBondContact O-N 3.1Å; T122-K125 PolarHBondContact O-N 2.93Å; T122-L126 WeakPolarHBondContact O-CB 3.25Å; T122-L126 WeakPolarHBondContact O-CG 3.38Å; T122-L126 PolarHBondContact O-N 3.48Å |
| 123 | E | 64.5 | Low | 56 | Low | 144 Ų | 144 | 106.5 Ų | 106.5 | 67% | 0.673 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -72 | -43.6 | 179.3 | -169.1 | 169.4 | -135 | 0 | 0 | 111.5 | I119 Q120 K125 L126 G127 | I119-E123 PolarHBondContact O-N 2.88Å; Q120-E123 PolarHBondContact O-N 3.38Å; E123-K125 VanDerWaalsContact C-N 3.29Å; E123-K125 PolarHBondContact O-N 2.98Å; E123-L126 PolarHBondContact O-N 3.23Å; E123-G127 PolarHBondContact O-N 3.01Å |
| 124 | V | 64.8 | Low | 56 | Low | 102 Ų | 102 | 106.8 Ų | 106.8 | 62% | 0.618 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -59.7 | -41 | 172.1 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | Q120 G127 L128 | Q120-V124 WeakPolarHBondContact O-CG2 3.43Å; Q120-V124 PolarHBondContact O-N 2.57Å; V124-G127 PolarHBondContact O-N 3.02Å; V124-L128 PolarHBondContact O-N 3.08Å; V124-L128 VanDerWaalsContact O-N 3.09Å |
| 125 | K | 62.5 | Low | 55.8 | Low | 138 Ų | 138 | 107.1 Ų | 107.1 | 60% | 0.6 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -69.9 | -31.7 | 177.8 | -169.1 | 174.4 | -168.1 | 167.8 | 0 | 113.2 | D121 T122 E123 L129 | D121-K125 WeakPolarHBondContact O-CB 3.49Å; D121-K125 PolarHBondContact O-N 3.14Å; D121-K125 VanDerWaalsContact O-N 3.08Å; T122-K125 PolarHBondContact O-N 2.93Å; E123-K125 VanDerWaalsContact C-N 3.29Å; E123-K125 PolarHBondContact O-N 2.98Å; K125-L129 WeakPolarHBondContact O-CD1 3.38Å |
| 126 | L | 62.2 | Low | 55.9 | Low | 118 Ų | 118 | 111 Ų | 111 | 62% | 0.618 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -73.1 | -37.5 | 169.6 | -83.4 | 164.3 | 0 | 0 | 0 | 112 | T122 E123 L128 L129 G130 | T122-L126 WeakPolarHBondContact O-CB 3.25Å; T122-L126 WeakPolarHBondContact O-CG 3.38Å; T122-L126 PolarHBondContact O-N 3.48Å; E123-L126 PolarHBondContact O-N 3.23Å; L126-L128 PolarHBondContact O-N 3.03Å; L126-L129 WeakPolarHBondContact O-CA 3.42Å; L126-L129 WeakPolarHBondContact O-CB 3.37Å; L126-L129 PolarHBondContact O-N 2.77Å; L126-G130 PolarHBondContact O-N 2.71Å |
| 127 | G | 57.3 | Low | 56 | Low | 31 Ų | 31 | 110.8 Ų | 110.8 | 32% | 0.32 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -56.4 | -38.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E123 V124 L129 G130 H131 | E123-G127 PolarHBondContact O-N 3.01Å; V124-G127 PolarHBondContact O-N 3.02Å; G127-L129 VanDerWaalsContact C-N 3.3Å; G127-L129 PolarHBondContact O-N 3.27Å; G127-G130 WeakPolarHBondContact O-CA 3.19Å; G127-G130 PolarHBondContact O-N 2.8Å; G127-H131 PolarHBondContact O-CD2 2.82Å; G127-H131 PolarHBondContact O-N 3.36Å |
| 128 | L | 59 | Low | 55.8 | Low | 130 Ų | 130 | 108.9 Ų | 108.9 | 68% | 0.681 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -61.7 | -33.5 | 173.9 | -167.9 | 65.5 | 0 | 0 | 0 | 113.1 | V124 L126 | V124-L128 PolarHBondContact O-N 3.08Å; V124-L128 VanDerWaalsContact O-N 3.09Å; L126-L128 PolarHBondContact O-N 3.03Å |
| 129 | L | 58 | Low | 56.1 | Low | 113 Ų | 113 | 108.7 Ų | 108.7 | 59% | 0.592 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -75.2 | -37.8 | 168.7 | -79.5 | 97.1 | 0 | 0 | 0 | 112.1 | K125 L126 G127 H131 T132 | K125-L129 WeakPolarHBondContact O-CD1 3.38Å; L126-L129 WeakPolarHBondContact O-CA 3.42Å; L126-L129 WeakPolarHBondContact O-CB 3.37Å; L126-L129 PolarHBondContact O-N 2.77Å; G127-L129 VanDerWaalsContact C-N 3.3Å; G127-L129 PolarHBondContact O-N 3.27Å; L129-H131 VanDerWaalsContact C-N 3.27Å; L129-H131 PolarHBondContact O-N 3.48Å; L129-T132 WeakPolarHBondContact O-CA 3.39Å; L129-T132 WeakPolarHBondContact O-CB 3.34Å; L129-T132 PolarHBondContact O-N 2.75Å; L129-T132 PolarHBondContact O-OG1 2.75Å |
| 130 | G | 51 | Low | 56.4 | Low | 48 Ų | 48 | 112 Ų | 112 | 50% | 0.495 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -53.4 | -40.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L126 G127 T132 A133 | L126-G130 PolarHBondContact O-N 2.71Å; G127-G130 WeakPolarHBondContact O-CA 3.19Å; G127-G130 PolarHBondContact O-N 2.8Å; G130-T132 PolarHBondContact O-N 3.26Å; G130-A133 VanDerWaalsContact O-CB 3.28Å; G130-A133 WeakPolarHBondContact O-CB 3.48Å; G130-A133 PolarHBondContact O-N 3.06Å; G130-A133 VanDerWaalsContact O-N 3.13Å |
| 131 | H | 49.8 | Very low | 56.9 | Low | 160 Ų | 160 | 116.6 Ų | 116.6 | 74% | 0.741 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -66.7 | -14.3 | 176 | -64.8 | -56.3 | 0 | 0 | 0 | 114.8 | G127 L129 S134 | G127-H131 PolarHBondContact O-CD2 2.82Å; G127-H131 PolarHBondContact O-N 3.36Å; L129-H131 VanDerWaalsContact C-N 3.27Å; L129-H131 PolarHBondContact O-N 3.48Å; H131-S134 PolarHBondContact O-OG 3.03Å |
| 132 | T | 46.7 | Very low | 57.4 | Low | 95 Ų | 95 | 120 Ų | 120 | 58% | 0.583 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -86.4 | -2.9 | 174.1 | 73.3 | 0 | 0 | 0 | 0 | 114 | L129 G130 S134 | L129-T132 WeakPolarHBondContact O-CA 3.39Å; L129-T132 WeakPolarHBondContact O-CB 3.34Å; L129-T132 PolarHBondContact O-N 2.75Å; L129-T132 PolarHBondContact O-OG1 2.75Å; G130-T132 PolarHBondContact O-N 3.26Å; T132-S134 PolarHBondContact O-N 3.01Å |
| 133 | A | 46.4 | Very low | 58.1 | Low | 87 Ų | 87 | 123.1 Ų | 123.1 | 72% | 0.719 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -67 | 2.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | G130 S135 | G130-A133 VanDerWaalsContact O-CB 3.28Å; G130-A133 WeakPolarHBondContact O-CB 3.48Å; G130-A133 PolarHBondContact O-N 3.06Å; G130-A133 VanDerWaalsContact O-N 3.13Å; A133-S135 VanDerWaalsContact C-N 3.25Å; A133-S135 PolarHBondContact O-N 3.26Å |
| 134 | S | 47.7 | Very low | 58.5 | Low | 95 Ų | 95 | 124.1 Ų | 124.1 | 66% | 0.664 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -71.5 | 70.9 | 176.8 | 48.4 | 0 | 0 | 0 | 0 | 112.9 | H131 T132 | H131-S134 PolarHBondContact O-OG 3.03Å; T132-S134 PolarHBondContact O-N 3.01Å |
| 135 | S | 49.4 | Very low | 58.7 | Low | 90 Ų | 90 | 125.2 Ų | 125.2 | 63% | 0.629 | 68% | 0.683 | S | S | * | * | | | trans | 59.7 | 82.1 | 172.8 | 68.5 | 0 | 0 | 0 | 0 | 115.2 | A133 N137 | A133-S135 VanDerWaalsContact C-N 3.25Å; A133-S135 PolarHBondContact O-N 3.26Å; S135-N137 VanDerWaalsContact C-N 3.28Å; S135-N137 PolarHBondContact O-N 2.9Å; S135-N137 PolarHBondContact O-ND2 3.49Å |
| 136 | L | 52.2 | Low | 59.6 | Low | 164 Ų | 164 | 122.7 Ų | 122.7 | 86% | 0.859 | 68% | 0.679 | S | S | * | * | | | trans | -57.2 | 96.3 | 157 | -71 | -180 | 0 | 0 | 0 | 108.8 | | |
| 137 | N | 55.6 | Low | 60 | Low | 109 Ų | 109 | 124.1 Ų | 124.1 | 58% | 0.583 | 68% | 0.682 | S | S | * | * | | | trans | -57.9 | 127.8 | 179.6 | -88.6 | -110 | 0 | 0 | 0 | 108 | S135 I139 | S135-N137 VanDerWaalsContact C-N 3.28Å; S135-N137 PolarHBondContact O-N 2.9Å; S135-N137 PolarHBondContact O-ND2 3.49Å; N137-I139 PolarHBondContact O-N 3.26Å; N137-I139 VanDerWaalsContact O-N 3.14Å |
| 138 | P | 52.7 | Low | 60.9 | Low | 110 Ų | 110 | 129.1 Ų | 129.1 | 71% | 0.714 | 70% | 0.702 | S | S | * | * | | | trans | -55.9 | 124.4 | -170.3 | 21.3 | -33.4 | 0 | 0 | 0 | 109.8 | K140 | P138-K140 PolarHBondContact O-N 3.18Š|
| 139 | I | 58.9 | Low | 61.9 | Low | 154 Ų | 154 | 125.1 Ų | 125.1 | 79% | 0.79 | 68% | 0.684 | S | S | * | * | | | trans | -48 | 108 | -166.4 | -69.8 | 177.1 | 0 | 0 | 0 | 110 | N137 R141 | N137-I139 PolarHBondContact O-N 3.26Å; N137-I139 VanDerWaalsContact O-N 3.14Å; I139-R141 HydrophobicContact CG2-CG 4.15Å; I139-R141 PolarHBondContact O-N 2.92Å |
| 140 | K | 64.8 | Low | 62.8 | Low | 177 Ų | 177 | 124 Ų | 124 | 77% | 0.77 | 68% | 0.684 | S | S | * | * | | | trans | -73.9 | 80.2 | 178.2 | -71 | 177.9 | -178.5 | 167.4 | 0 | 108.3 | P138 Q142 | P138-K140 PolarHBondContact O-N 3.18Å; K140-Q142 PolarHBondContact O-N 2.92Å |
| 141 | R | 71.9 | Confident | 64.2 | Low | 220 Ų | 220 | 124.6 Ų | 124.6 | 83% | 0.83 | 68% | 0.676 | S | S | * | * | | | trans | -55.7 | 99.4 | 174.1 | -59.5 | -176.2 | 81.2 | -171.7 | 6.8 | 108.3 | I139 T143 | I139-R141 HydrophobicContact CG2-CG 4.15Å; I139-R141 PolarHBondContact O-N 2.92Å; R141-T143 VanDerWaalsContact C-N 3.33Å; R141-T143 PolarHBondContact O-N 3.35Å |
| 142 | Q | 68.5 | Low | 65.4 | Low | 175 Ų | 175 | 125.2 Ų | 125.2 | 82% | 0.818 | 67% | 0.671 | S | S | * | * | | | trans | -74.5 | 86.9 | -176.3 | -175.9 | 174.3 | -10.6 | 0 | 0 | 109.3 | K140 F144 | K140-Q142 PolarHBondContact O-N 2.92Å; Q142-F144 PolarHBondContact O-N 2.88Å |
| 143 | T | 75.4 | Confident | 67 | Low | 125 Ų | 125 | 128.4 Ų | 128.4 | 77% | 0.767 | 68% | 0.68 | S | S | * | * | | | trans | -68.7 | 97.4 | 174.7 | 51.3 | 0 | 0 | 0 | 0 | 109.4 | R141 | R141-T143 VanDerWaalsContact C-N 3.33Å; R141-T143 PolarHBondContact O-N 3.35Å |
| 144 | F | 74.1 | Confident | 68.9 | Low | 166 Ų | 166 | 127.5 Ų | 127.5 | 73% | 0.728 | 66% | 0.662 | S | S | * | * | | | trans | -67.7 | 133.3 | 171.6 | 53.1 | -89.2 | 0 | 0 | 0 | 110.3 | Q142 V146 | Q142-F144 PolarHBondContact O-N 2.88Å; F144-V146 HydrophobicContact CD2-CG2 3.86Å; F144-V146 HydrophobicContact CE2-CG2 3.68Å; F144-V146 PolarHBondContact O-N 2.77Å; F144-V146 VanDerWaalsContact O-N 3.11Å |
| 145 | C | 68.9 | Low | 70.9 | Confident | 124 Ų | 124 | 126.8 Ų | 126.8 | 84% | 0.838 | 66% | 0.656 | S | S | * | * | | | trans | -75.6 | 100.1 | 173.9 | -60.6 | 0 | 0 | 0 | 0 | 109.4 | Q147 | C145-Q147 PolarHBondContact O-N 3.11Š|
| 146 | V | 80.6 | Confident | 72.6 | Confident | 85 Ų | 85 | 126.5 Ų | 126.5 | 52% | 0.515 | 65% | 0.651 | S | S | . | * | | | trans | -56.1 | 120.1 | 168.3 | 179.3 | 0 | 0 | 0 | 0 | 108.5 | F144 D148 S149 | F144-V146 HydrophobicContact CD2-CG2 3.86Å; F144-V146 HydrophobicContact CE2-CG2 3.68Å; F144-V146 PolarHBondContact O-N 2.77Å; F144-V146 VanDerWaalsContact O-N 3.11Å; V146-D148 PolarHBondContact O-N 3.46Å; V146-S149 WeakPolarHBondContact O-CB 3.28Å; V146-S149 PolarHBondContact O-N 3.06Å; V146-S149 VanDerWaalsContact O-N 3.12Å |
| 147 | Q | 70.9 | Confident | 74.2 | Confident | 149 Ų | 149 | 122.2 Ų | 122.2 | 70% | 0.696 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -27.2 | -173.1 | -60.4 | -162.1 | 30.2 | 0 | 0 | 112.5 | C145 R152 | C145-Q147 PolarHBondContact O-N 3.11Å; Q147-R152 VanDerWaalsContact O-CD 3.25Å; Q147-R152 WeakPolarHBondContact O-CD 3.36Å; Q147-R152 PolarHBondContact O-NH1 2.89Å |
| 148 | D | 77.4 | Confident | 75.5 | Confident | 136 Ų | 136 | 119.7 Ų | 119.7 | 73% | 0.727 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | 27.8 | 178.8 | -51.1 | -65.5 | 0 | 0 | 0 | 112.7 | V146 | V146-D148 PolarHBondContact O-N 3.46Š|
| 149 | S | 78.4 | Confident | 77.1 | Confident | 45 Ų | 45 | 116.9 Ų | 116.9 | 32% | 0.315 | 61% | 0.605 | S | S | . | * | | | trans | -49.9 | 131.2 | 173.5 | 178.9 | 0 | 0 | 0 | 0 | 110.8 | V146 L151 R152 | V146-S149 WeakPolarHBondContact O-CB 3.28Å; V146-S149 PolarHBondContact O-N 3.06Å; V146-S149 VanDerWaalsContact O-N 3.12Å; S149-L151 PolarHBondContact O-N 2.94Å; S149-R152 WeakPolarHBondContact O-CB 3.35Å; S149-R152 PolarHBondContact O-N 2.84Å |
| 150 | P | 78.1 | Confident | 78.2 | Confident | 89 Ų | 89 | 115.4 Ų | 115.4 | 58% | 0.578 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -60.9 | -16.8 | -178.2 | 24.4 | -34.4 | 0 | 0 | 0 | 113.1 | R152 Q153 | P150-R152 PolarHBondContact O-N 3.46Å; P150-Q153 WeakPolarHBondContact O-CB 3.35Å; P150-Q153 PolarHBondContact O-N 3.42Å |
| 151 | L | 79.2 | Confident | 78.9 | Confident | 62 Ų | 62 | 114 Ų | 114 | 33% | 0.325 | 59% | 0.591 | S | S | . | * | G | 310 helix | trans | -51.5 | -35 | 167.5 | -170.7 | 68 | 0 | 0 | 0 | 112.6 | S149 Q153 L154 Q159 L162 L163 | S149-L151 PolarHBondContact O-N 2.94Å; L151-Q153 VanDerWaalsContact C-N 3.28Å; L151-Q153 PolarHBondContact O-N 2.89Å; L151-L154 HydrophobicContact CD1-CD1 4.15Å; L151-L154 WeakPolarHBondContact O-CB 3.38Å; L151-L154 PolarHBondContact O-N 2.92Å; L151-Q159 VanDerWaalsContact O-CG 3.31Å; L151-Q159 WeakPolarHBondContact O-CG 3.31Å; L151-Q159 PolarHBondContact O-NE2 3.15Å; L151-L162 HydrophobicContact CD1-CB 4.31Å; L151-L162 HydrophobicContact CD1-CD1 3.54Å; L151-L163 HydrophobicContact CD2-CD1 3.82Å |
| 152 | R | 75.2 | Confident | 79.3 | Confident | 173 Ų | 173 | 107.5 Ų | 107.5 | 65% | 0.653 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -71.9 | -17.2 | 176.3 | -78.2 | 178.9 | 156.2 | -171.1 | -9.5 | 114.3 | Q147 S149 P150 Q159 | Q147-R152 VanDerWaalsContact O-CD 3.25Å; Q147-R152 WeakPolarHBondContact O-CD 3.36Å; Q147-R152 PolarHBondContact O-NH1 2.89Å; S149-R152 WeakPolarHBondContact O-CB 3.35Å; S149-R152 PolarHBondContact O-N 2.84Å; P150-R152 PolarHBondContact O-N 3.46Å; R152-Q159 PolarHBondContact O-NE2 2.96Å |
| 153 | Q | 81.4 | Confident | 79.7 | Confident | 162 Ų | 162 | 104 Ų | 104 | 76% | 0.757 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -83.1 | -17.5 | 175 | -54.2 | 177.9 | 11.2 | 0 | 0 | 111.8 | P150 L151 | P150-Q153 WeakPolarHBondContact O-CB 3.35Å; P150-Q153 PolarHBondContact O-N 3.42Å; L151-Q153 VanDerWaalsContact C-N 3.28Å; L151-Q153 PolarHBondContact O-N 2.89Å |
| 154 | L | 85.6 | Confident | 79.7 | Confident | 67 Ų | 67 | 107.2 Ų | 107.2 | 35% | 0.351 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -74.6 | 148.6 | 176.1 | -54.3 | -175.7 | 0 | 0 | 0 | 111.4 | L151 V158 Q159 L162 | L151-L154 HydrophobicContact CD1-CD1 4.15Å; L151-L154 WeakPolarHBondContact O-CB 3.38Å; L151-L154 PolarHBondContact O-N 2.92Å; L154-V158 HydrophobicContact CB-CB 4.25Å; L154-V158 HydrophobicContact CB-CG1 4.39Å; L154-V158 HydrophobicContact CD1-CG1 3.86Å; L154-Q159 HydrophobicContact CB-CG 4.3Å; L154-Q159 PolarHBondContact O-NE2 3.38Å; L154-L162 HydrophobicContact CD1-CD1 3.69Å |
| 155 | P | 89.3 | Confident | 78.8 | Confident | 81 Ų | 81 | 102 Ų | 102 | 53% | 0.526 | 55% | 0.549 | S | S | . | . | | | trans | -57.3 | 146.5 | 173.7 | -25.5 | 34.9 | 0 | 0 | 0 | 112.6 | A157 V158 Q159 | P155-A157 PolarHBondContact O-N 3.48Å; P155-V158 PolarHBondContact O-N 2.84Å; P155-Q159 PolarHBondContact O-N 3.27Å |
| 156 | P | 84.9 | Confident | 78.2 | Confident | 83 Ų | 83 | 100.5 Ų | 100.5 | 54% | 0.539 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -53.8 | -33.2 | -174.8 | -30.1 | 36 | 0 | 0 | 0 | 115.2 | V158 Q159 H160 | P156-V158 VanDerWaalsContact C-N 3.33Å; P156-V158 PolarHBondContact O-N 2.82Å; P156-Q159 PolarHBondContact O-N 3.35Å; P156-H160 WeakPolarHBondContact O-CB 3.43Å; P156-H160 PolarHBondContact O-CD2 3.37Å; P156-H160 PolarHBondContact O-N 3.48Å |
| 157 | A | 85.7 | Confident | 77 | Confident | 75 Ų | 75 | 101 Ų | 101 | 62% | 0.62 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -59.5 | -42.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | P155 Q161 | P155-A157 PolarHBondContact O-N 3.48Å; A157-Q161 WeakPolarHBondContact O-CB 3.39Å; A157-Q161 PolarHBondContact O-N 2.91Å |
| 158 | V | 84 | Confident | 76 | Confident | 56 Ų | 56 | 99.1 Ų | 99.1 | 34% | 0.339 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -72.2 | -40 | 179 | -172.5 | 0 | 0 | 0 | 0 | 110.4 | L154 P155 P156 H160 Q161 L162 | L154-V158 HydrophobicContact CB-CB 4.25Å; L154-V158 HydrophobicContact CB-CG1 4.39Å; L154-V158 HydrophobicContact CD1-CG1 3.86Å; P155-V158 PolarHBondContact O-N 2.84Å; P156-V158 VanDerWaalsContact C-N 3.33Å; P156-V158 PolarHBondContact O-N 2.82Å; V158-H160 PolarHBondContact O-N 2.94Å; V158-Q161 PolarHBondContact O-N 2.85Å; V158-L162 HydrophobicContact CG1-CD1 4.03Å; V158-L162 HydrophobicContact CG1-CG 4.42Å; V158-L162 WeakPolarHBondContact O-CG 3.42Å; V158-L162 PolarHBondContact O-N 2.87Å |
| 159 | Q | 86.9 | Confident | 74.5 | Confident | 50 Ų | 50 | 97.2 Ų | 97.2 | 23% | 0.234 | 55% | 0.549 | C | S | . | . | H | α-helix | trans | -55.7 | -51.4 | 172.4 | -60.9 | -176.8 | 13.4 | 0 | 0 | 111.1 | L151 R152 L154 P155 P156 Q161 L162 L163 | L151-Q159 VanDerWaalsContact O-CG 3.31Å; L151-Q159 WeakPolarHBondContact O-CG 3.31Å; L151-Q159 PolarHBondContact O-NE2 3.15Å; R152-Q159 PolarHBondContact O-NE2 2.96Å; L154-Q159 HydrophobicContact CB-CG 4.3Å; L154-Q159 PolarHBondContact O-NE2 3.38Å; P155-Q159 PolarHBondContact O-N 3.27Å; P156-Q159 PolarHBondContact O-N 3.35Å; Q159-Q161 VanDerWaalsContact C-N 3.31Å; Q159-Q161 PolarHBondContact O-N 2.88Å; Q159-L162 PolarHBondContact O-N 3.23Å; Q159-L163 WeakPolarHBondContact O-CB 3.28Å; Q159-L163 VanDerWaalsContact O-CD1 3.3Å; Q159-L163 WeakPolarHBondContact O-CD1 3.37Å; Q159-L163 PolarHBondContact O-N 3.4Å |
| 160 | H | 81.9 | Confident | 72.4 | Confident | 123 Ų | 123 | 106.7 Ų | 106.7 | 57% | 0.569 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.3 | -32.6 | 178.9 | -70 | -48.7 | 0 | 0 | 0 | 113.3 | P156 V158 R164 | P156-H160 WeakPolarHBondContact O-CB 3.43Å; P156-H160 PolarHBondContact O-CD2 3.37Å; P156-H160 PolarHBondContact O-N 3.48Å; V158-H160 PolarHBondContact O-N 2.94Å; H160-R164 WeakPolarHBondContact O-CB 3.34Å; H160-R164 PolarHBondContact O-N 3.45Å |
| 161 | Q | 79.7 | Confident | 70.5 | Confident | 147 Ų | 147 | 107 Ų | 107 | 69% | 0.687 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -70.5 | -44.1 | 177 | -168.6 | 169.3 | 7.4 | 0 | 0 | 111.7 | A157 V158 Q159 R164 G165 | A157-Q161 WeakPolarHBondContact O-CB 3.39Å; A157-Q161 PolarHBondContact O-N 2.91Å; V158-Q161 PolarHBondContact O-N 2.85Å; Q159-Q161 VanDerWaalsContact C-N 3.31Å; Q159-Q161 PolarHBondContact O-N 2.88Å; Q161-R164 PolarHBondContact O-N 2.91Å; Q161-G165 PolarHBondContact O-N 2.72Å |
| 162 | L | 79.5 | Confident | 68.2 | Low | 84 Ų | 84 | 110.1 Ų | 110.1 | 44% | 0.44 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -64.6 | -49.1 | 176.3 | -69.3 | 169.6 | 0 | 0 | 0 | 111.7 | L151 L154 V158 Q159 R164 G165 S166 | L151-L162 HydrophobicContact CD1-CB 4.31Å; L151-L162 HydrophobicContact CD1-CD1 3.54Å; L154-L162 HydrophobicContact CD1-CD1 3.69Å; V158-L162 HydrophobicContact CG1-CD1 4.03Å; V158-L162 HydrophobicContact CG1-CG 4.42Å; V158-L162 WeakPolarHBondContact O-CG 3.42Å; V158-L162 PolarHBondContact O-N 2.87Å; Q159-L162 PolarHBondContact O-N 3.23Å; L162-R164 VanDerWaalsContact C-N 3.27Å; L162-R164 PolarHBondContact O-N 3.37Å; L162-G165 PolarHBondContact O-N 3.44Å; L162-G165 VanDerWaalsContact O-N 3.13Å; L162-S166 PolarHBondContact O-N 3.45Å; L162-S166 VanDerWaalsContact O-N 3.12Å; L162-S166 PolarHBondContact O-OG 2.85Å |
| 163 | L | 77.6 | Confident | 66.1 | Low | 103 Ų | 103 | 107.8 Ų | 107.8 | 54% | 0.539 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -59.5 | -37 | 176 | -93.4 | 71.9 | 0 | 0 | 0 | 112.3 | L151 Q159 S166 S167 | L151-L163 HydrophobicContact CD2-CD1 3.82Å; Q159-L163 WeakPolarHBondContact O-CB 3.28Å; Q159-L163 VanDerWaalsContact O-CD1 3.3Å; Q159-L163 WeakPolarHBondContact O-CD1 3.37Å; Q159-L163 PolarHBondContact O-N 3.4Å; L163-S166 PolarHBondContact O-N 3.37Å; L163-S167 PolarHBondContact O-N 3.37Å |
| 164 | R | 75.1 | Confident | 63.8 | Low | 192 Ų | 192 | 105 Ų | 105 | 73% | 0.725 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67.2 | -40.2 | 176.4 | -173.5 | 175.6 | -64.8 | -132.9 | -1.4 | 111.5 | H160 Q161 L162 S166 S167 | H160-R164 WeakPolarHBondContact O-CB 3.34Å; H160-R164 PolarHBondContact O-N 3.45Å; Q161-R164 PolarHBondContact O-N 2.91Å; L162-R164 VanDerWaalsContact C-N 3.27Å; L162-R164 PolarHBondContact O-N 3.37Å; R164-S166 PolarHBondContact O-N 2.94Å; R164-S167 PolarHBondContact O-N 3.09Å; R164-S167 PolarHBondContact O-OG 3.23Å |
| 165 | G | 55.5 | Low | 61.6 | Low | 55 Ų | 55 | 112.5 Ų | 112.5 | 57% | 0.567 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -58.2 | -44.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q161 L162 S167 | Q161-G165 PolarHBondContact O-N 2.72Å; L162-G165 PolarHBondContact O-N 3.44Å; L162-G165 VanDerWaalsContact O-N 3.13Å; G165-S167 PolarHBondContact O-N 3.25Å |
| 166 | S | 56 | Low | 59.2 | Low | 94 Ų | 94 | 114.6 Ų | 114.6 | 66% | 0.657 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -66.5 | -18.5 | 178.7 | -53.7 | 0 | 0 | 0 | 0 | 114.6 | L162 L163 R164 S168 | L162-S166 PolarHBondContact O-N 3.45Å; L162-S166 VanDerWaalsContact O-N 3.12Å; L162-S166 PolarHBondContact O-OG 2.85Å; L163-S166 PolarHBondContact O-N 3.37Å; R164-S166 PolarHBondContact O-N 2.94Å; S166-S168 VanDerWaalsContact C-N 3.29Å; S166-S168 PolarHBondContact O-N 2.92Å |
| 167 | S | 53.9 | Low | 56.9 | Low | 94 Ų | 94 | 114.9 Ų | 114.9 | 66% | 0.657 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -5.9 | -175.9 | 69.5 | 0 | 0 | 0 | 0 | 115.1 | L163 R164 G165 | L163-S167 PolarHBondContact O-N 3.37Å; R164-S167 PolarHBondContact O-N 3.09Å; R164-S167 PolarHBondContact O-OG 3.23Å; G165-S167 PolarHBondContact O-N 3.25Å |
| 168 | S | 51.3 | Low | 54.4 | Low | 110 Ų | 110 | 116.1 Ų | 116.1 | 77% | 0.769 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | 2.9 | -170.3 | -164.4 | 0 | 0 | 0 | 0 | 115.9 | S166 | S166-S168 VanDerWaalsContact C-N 3.29Å; S166-S168 PolarHBondContact O-N 2.92Å |
| 169 | S | 45.2 | Very low | 52.1 | Low | 97 Ų | 97 | 125.1 Ų | 125.1 | 68% | 0.678 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -130.6 | 40.4 | -165.5 | 57.7 | 0 | 0 | 0 | 0 | 116.8 | | |
| 170 | R | 34.9 | Very low | 49.7 | Very low | 243 Ų | 243 | 131.1 Ų | 131.1 | 92% | 0.917 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -158.3 | 99.1 | 149.2 | -119.4 | 163.1 | 172.2 | 166.6 | -3.7 | 116.2 | | |
| 171 | A | 37.1 | Very low | 47.2 | Very low | 97 Ų | 97 | 131.8 Ų | 131.8 | 80% | 0.802 | 75% | 0.754 | S | S | * | * | | | trans | 24.9 | 124.2 | 149.3 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 172 | S | 31.4 | Very low | 45.2 | Very low | 126 Ų | 126 | 130.8 Ų | 130.8 | 88% | 0.881 | 76% | 0.758 | S | S | * | * | | | | -172 | 121.3 | 120.5 | 30.9 | 0 | 0 | 0 | 0 | 113.2 | | |
| 173 | S | 30.4 | Very low | 43 | Very low | 124 Ų | 124 | 132.4 Ų | 132.4 | 87% | 0.867 | 78% | 0.776 | S | S | * | * | | | trans | -170.7 | 142.5 | 143.5 | -171.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 174 | S | 34.9 | Very low | 40.9 | Very low | 105 Ų | 105 | 133.1 Ų | 133.1 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | | | trans | -76.2 | 152.7 | 175.3 | 45.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 175 | R | 38.8 | Very low | 39.3 | Very low | 223 Ų | 223 | 130 Ų | 130 | 84% | 0.842 | 79% | 0.794 | S | S | * | * | | | trans | -65.8 | 156 | 158 | -82.4 | -176.6 | 170.2 | -177.8 | -2.4 | 109.6 | | |
| 176 | P | 38.1 | Very low | 38.1 | Very low | 126 Ų | 126 | 135.9 Ų | 135.9 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | | | | -114.4 | 161.1 | 94.2 | 33.8 | -36 | 0 | 0 | 0 | 112.8 | | |
| 177 | A | 36.1 | Very low | 37.1 | Very low | 88 Ų | 88 | 138.7 Ų | 138.7 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | | | trans | -93.2 | 131.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 178 | A | 34.8 | Very low | 36.2 | Very low | 101 Ų | 101 | 137.5 Ų | 137.5 | 84% | 0.835 | 83% | 0.825 | S | S | * | * | | | trans | -132.8 | 149.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 179 | R | 34.5 | Very low | 35.6 | Very low | 245 Ų | 245 | 137 Ų | 137 | 93% | 0.925 | 83% | 0.827 | S | S | * | * | | | trans | -74.6 | 155.9 | -159.6 | -65.7 | 171.4 | 174.7 | 173.6 | -4 | 114.4 | V181 | R179-V181 PolarHBondContact O-N 3.47Š|
| 180 | L | 36.7 | Very low | 35.4 | Very low | 176 Ų | 176 | 143.3 Ų | 143.3 | 92% | 0.921 | 84% | 0.836 | S | S | * | * | | | trans | -52.8 | 126.5 | 163 | -67.4 | 159.2 | 0 | 0 | 0 | 111.7 | | |
| 181 | V | 29.8 | Very low | 35.6 | Very low | 138 Ų | 138 | 137.8 Ų | 137.8 | 84% | 0.836 | 83% | 0.831 | S | S | * | * | | | trans | -142.2 | 152.8 | 150.1 | -176.1 | 0 | 0 | 0 | 0 | 107.8 | R179 | R179-V181 PolarHBondContact O-N 3.47Š|
| 182 | T | 37.8 | Very low | 35.5 | Very low | 126 Ų | 126 | 142 Ų | 142 | 77% | 0.773 | 84% | 0.835 | S | S | * | * | | | trans | -84.8 | -176 | -175.7 | 52.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 183 | S | 32.4 | Very low | 35.5 | Very low | 118 Ų | 118 | 139.6 Ų | 139.6 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | | | trans | 88 | 139.6 | 170.1 | 78.3 | 0 | 0 | 0 | 0 | 118.1 | | |
| 184 | S | 33.3 | Very low | 36.1 | Very low | 117 Ų | 117 | 145.1 Ų | 145.1 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | | | trans | -90.6 | 162.1 | -178.6 | -39.6 | 0 | 0 | 0 | 0 | 112 | | |
| 185 | P | 42.1 | Very low | 36.7 | Very low | 126 Ų | 126 | 146.1 Ų | 146.1 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | | | trans | -123.7 | 159.9 | 143.8 | 36 | -27.7 | 0 | 0 | 0 | 113.1 | | |
| 186 | M | 30.9 | Very low | 36.5 | Very low | 180 Ų | 180 | 140.4 Ų | 140.4 | 89% | 0.887 | 83% | 0.829 | S | S | * | * | | | trans | -73.7 | 161.2 | -177.9 | -65.6 | 165.6 | 60.3 | 0 | 0 | 113.4 | G188 | M186-G188 PolarHBondContact O-N 3.45Š|
| 187 | V | 34.2 | Very low | 36.8 | Very low | 152 Ų | 152 | 143 Ų | 143 | 92% | 0.921 | 84% | 0.835 | S | S | * | * | | | trans | -66.7 | 113.6 | 167.3 | 175.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 188 | G | 35.9 | Very low | 36.9 | Very low | 70 Ų | 70 | 150.8 Ų | 150.8 | 72% | 0.722 | 85% | 0.846 | S | S | * | * | | | trans | -108.4 | 146.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | M186 | M186-G188 PolarHBondContact O-N 3.45Š|
| 189 | A | 37.4 | Very low | 36.9 | Very low | 99 Ų | 99 | 149.8 Ų | 149.8 | 82% | 0.818 | 85% | 0.845 | S | S | * | * | | | trans | -90.1 | 148.2 | -165.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 190 | R | 40.9 | Very low | 37.3 | Very low | 229 Ų | 229 | 147.8 Ų | 147.8 | 86% | 0.864 | 84% | 0.843 | S | S | * | * | | | trans | 46.8 | 120.1 | 156.1 | -86.6 | -170.5 | 168.3 | -146.7 | -0.9 | 120 | | |
| 191 | P | 39.3 | Very low | 37.2 | Very low | 127 Ų | 127 | 144.2 Ų | 144.2 | 83% | 0.825 | 84% | 0.838 | S | S | * | * | | | trans | -85.8 | 132 | 156.3 | 33.9 | -30.7 | 0 | 0 | 0 | 112.4 | | |
| 192 | Q | 35.1 | Very low | 37.4 | Very low | 186 Ų | 186 | 141.6 Ų | 141.6 | 87% | 0.869 | 83% | 0.832 | S | S | * | * | | | trans | -144.2 | 144.9 | 154.4 | -104.8 | -66.9 | -9.8 | 0 | 0 | 106.7 | | |
| 193 | A | 32.4 | Very low | 37.3 | Very low | 76 Ų | 76 | 144.4 Ų | 144.4 | 63% | 0.628 | 84% | 0.841 | S | S | * | * | | | trans | -134.5 | 149.4 | -149.9 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 194 | R | 42.5 | Very low | 37.3 | Very low | 239 Ų | 239 | 142.7 Ų | 142.7 | 90% | 0.902 | 84% | 0.842 | S | S | * | * | | | trans | 72.6 | 164.1 | 170.3 | -50.1 | -176.2 | 167 | -167.5 | -4.6 | 114.3 | | |
| 195 | P | 46.9 | Very low | 37.3 | Very low | 126 Ų | 126 | 141.8 Ų | 141.8 | 82% | 0.818 | 84% | 0.842 | S | S | * | * | | | | -127.3 | 160.1 | -77.3 | 33.1 | -16.5 | 0 | 0 | 0 | 112.9 | | |
| 196 | A | 35.3 | Very low | 36.8 | Very low | 103 Ų | 103 | 140 Ų | 140 | 85% | 0.851 | 84% | 0.838 | S | S | * | * | | | trans | -77.6 | 130.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 197 | L | 44.4 | Very low | 37 | Very low | 182 Ų | 182 | 138 Ų | 138 | 95% | 0.953 | 84% | 0.836 | S | S | * | * | | | trans | -132.5 | 155.4 | 150.7 | -92.7 | 175.2 | 0 | 0 | 0 | 109.7 | | |
| 198 | R | 38.2 | Very low | 36.9 | Very low | 251 Ų | 251 | 135.5 Ų | 135.5 | 95% | 0.947 | 83% | 0.83 | S | S | * | * | | | trans | -117.5 | 111.4 | -154.2 | -179.4 | -170.1 | -168.6 | -130.8 | 12.6 | 111.1 | | |
| 199 | G | 34.6 | Very low | 37.2 | Very low | 79 Ų | 79 | 140.1 Ų | 140.1 | 81% | 0.814 | 84% | 0.838 | S | S | * | * | | | trans | -166.4 | 112.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 200 | K | 43.9 | Very low | 37.8 | Very low | 203 Ų | 203 | 140.6 Ų | 140.6 | 88% | 0.883 | 83% | 0.832 | S | S | * | * | | | trans | -61.9 | 148.2 | -176.3 | -58.3 | 171.8 | 173.4 | -178.5 | 0 | 114.6 | | |
| 201 | A | 34.8 | Very low | 37.4 | Very low | 101 Ų | 101 | 134.9 Ų | 134.9 | 84% | 0.835 | 83% | 0.828 | S | S | * | * | | | trans | 63.4 | 154.1 | 141.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 202 | A | 32.3 | Very low | 37.5 | Very low | 84 Ų | 84 | 138.4 Ų | 138.4 | 69% | 0.694 | 83% | 0.83 | S | S | * | * | | | cis | -167.4 | 159.2 | -23.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 203 | L | 36.3 | Very low | 37.9 | Very low | 185 Ų | 185 | 135.5 Ų | 135.5 | 97% | 0.969 | 83% | 0.828 | S | S | * | * | | | trans | 63.1 | 166.9 | 170 | -67.6 | 159.4 | 0 | 0 | 0 | 116.6 | | |
| 204 | G | 32.9 | Very low | 38 | Very low | 82 Ų | 82 | 138.5 Ų | 138.5 | 85% | 0.845 | 84% | 0.838 | S | S | * | * | | | trans | 113.6 | 91.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 205 | A | 33.3 | Very low | 37.7 | Very low | 98 Ų | 98 | 131.1 Ų | 131.1 | 81% | 0.81 | 83% | 0.828 | S | S | * | * | | | trans | -107.5 | 141.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 206 | A | 31.7 | Very low | 37.9 | Very low | 89 Ų | 89 | 131 Ų | 131 | 74% | 0.736 | 83% | 0.827 | S | S | * | * | | | trans | 64.4 | 153.8 | 157.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 207 | T | 34.3 | Very low | 37.7 | Very low | 138 Ų | 138 | 131.1 Ų | 131.1 | 85% | 0.847 | 83% | 0.828 | S | S | * | * | | | trans | 49.7 | 104.5 | 154.1 | 48.9 | 0 | 0 | 0 | 0 | 120.1 | | |
| 208 | A | 33.1 | Very low | 37.1 | Very low | 98 Ų | 98 | 125.7 Ų | 125.7 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | | | | -171.4 | 144.1 | 114.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 209 | L | 41.5 | Very low | 36.8 | Very low | 167 Ų | 167 | 119.3 Ų | 119.3 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | | | trans | -93.2 | 168.9 | 152.5 | -69.6 | 174 | 0 | 0 | 0 | 107.3 | | |
| 210 | P | 50.5 | Low | 36.5 | Very low | 109 Ų | 109 | 127.1 Ų | 127.1 | 71% | 0.708 | 82% | 0.815 | S | S | * | * | | | cis | -146 | -162.1 | 21.7 | 44.3 | -23.8 | 0 | 0 | 0 | 116.1 | | |
| 211 | S | 31.8 | Very low | 35.9 | Very low | 109 Ų | 109 | 123.5 Ų | 123.5 | 76% | 0.762 | 82% | 0.815 | S | S | * | * | | | trans | 78.1 | 132.6 | 153.5 | 70.1 | 0 | 0 | 0 | 0 | 120.4 | | |
| 212 | K | 40.9 | Very low | 35.7 | Very low | 201 Ų | 201 | 122.4 Ų | 122.4 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | | | trans | -82.3 | 154.1 | 153.2 | -62.5 | 176.5 | 175.1 | 177.6 | 0 | 107.9 | | |
| 213 | P | 44.7 | Very low | 35.5 | Very low | 126 Ų | 126 | 123.3 Ų | 123.3 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | | | | -143.1 | -165.2 | 96.1 | 40.6 | -26.3 | 0 | 0 | 0 | 114.8 | | |
| 214 | V | 34.6 | Very low | 35.3 | Very low | 139 Ų | 139 | 119.7 Ų | 119.7 | 84% | 0.842 | 80% | 0.797 | S | S | * | * | | | trans | -78.7 | 165.6 | -172.2 | 177.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 215 | A | 35.3 | Very low | 35.3 | Very low | 84 Ų | 84 | 121.5 Ų | 121.5 | 69% | 0.694 | 80% | 0.797 | S | S | * | * | | | trans | -62.1 | 176 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 216 | P | 51.3 | Low | 35.2 | Very low | 123 Ų | 123 | 120.3 Ų | 120.3 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | | | | -157.1 | -168 | 63.1 | 43.7 | -21.5 | 0 | 0 | 0 | 117.7 | | |
| 217 | A | 30.7 | Very low | 35.2 | Very low | 105 Ų | 105 | 120.8 Ų | 120.8 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | | | trans | 69.8 | 150 | 162.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 218 | G | 32.6 | Very low | 35 | Very low | 68 Ų | 68 | 121.4 Ų | 121.4 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | | | cis | -142.3 | -168.7 | -6.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 219 | S | 31 | Very low | 35.2 | Very low | 117 Ų | 117 | 123.9 Ų | 123.9 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | cis | -157.4 | 148 | 14 | -84.2 | 0 | 0 | 0 | 0 | 113.7 | | |
| 220 | R | 29.3 | Very low | 34.8 | Very low | 244 Ų | 244 | 122 Ų | 122 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | | | trans | 28.4 | 151.1 | 143.6 | -73.7 | -178.3 | 156.8 | -172.1 | -7.6 | 124 | | |
| 221 | S | 31.2 | Very low | 33.9 | Very low | 126 Ų | 126 | 126.9 Ų | 126.9 | 88% | 0.881 | 78% | 0.784 | S | S | * | * | | | trans | 80.5 | 137.3 | 166.7 | -90.9 | 0 | 0 | 0 | 0 | 117.1 | | |
| 222 | A | 29.8 | Very low | 33.9 | Very low | 78 Ų | 78 | 127.9 Ų | 127.9 | 65% | 0.645 | 78% | 0.78 | S | S | * | * | | | cis | -149.3 | 170.6 | 0.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 223 | S | 28.6 | Very low | 33.4 | Very low | 103 Ų | 103 | 126.4 Ų | 126.4 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | | | trans | 50.1 | 111.8 | 159.9 | 48.5 | 0 | 0 | 0 | 0 | 119 | | |
| 224 | S | 32.9 | Very low | 33.6 | Very low | 110 Ų | 110 | 125.2 Ų | 125.2 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | | | | 59.4 | 132.4 | 76.4 | 74.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 225 | S | 31.8 | Very low | 34.6 | Very low | 120 Ų | 120 | 124.3 Ų | 124.3 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | | | cis | -170.4 | 163.3 | 8.8 | 43.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 226 | G | 31 | Very low | 34.5 | Very low | 72 Ų | 72 | 124.8 Ų | 124.8 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | | | trans | 94.7 | 122.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 227 | A | 31.9 | Very low | 33.9 | Very low | 100 Ų | 100 | 129.7 Ų | 129.7 | 83% | 0.826 | 77% | 0.766 | S | S | * | * | | | | 74.3 | 99.1 | 61.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 228 | E | 31 | Very low | 34 | Very low | 151 Ų | 151 | 130.7 Ų | 130.7 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | | | | 89.1 | 144.5 | 76.5 | -137.1 | -155.2 | 161.8 | 0 | 0 | 113.8 | | |
| 229 | K | 36.5 | Very low | 34.2 | Very low | 149 Ų | 149 | 132.4 Ų | 132.4 | 65% | 0.648 | 77% | 0.769 | S | S | * | * | | | trans | 62.9 | 100.4 | 161.2 | -72.5 | 159.8 | 178 | 136.3 | 0 | 120.5 | | |
| 230 | T | 33.6 | Very low | 34.4 | Very low | 128 Ų | 128 | 130 Ų | 130 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | | | | 58.4 | 143 | 124.5 | 67.2 | 0 | 0 | 0 | 0 | 123.3 | | |
| 231 | R | 32 | Very low | 34.5 | Very low | 212 Ų | 212 | 125.2 Ų | 125.2 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | | | trans | 91.3 | 95.1 | 135.5 | -158.3 | 173.8 | -162.4 | -85.8 | -0.9 | 120.1 | | |
| 232 | L | 31.8 | Very low | 34.5 | Very low | 130 Ų | 130 | 126 Ų | 126 | 68% | 0.681 | 75% | 0.754 | S | S | * | * | | | trans | 72 | 152.4 | 147.9 | -53.1 | 175 | 0 | 0 | 0 | 116.2 | | |
| 233 | Q | 30.4 | Very low | 34.8 | Very low | 169 Ų | 169 | 130.3 Ų | 130.3 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | | | cis | -153.4 | -176.6 | -7.8 | -122.7 | -152.4 | -25.7 | 0 | 0 | 111.1 | | |
| 234 | P | 49 | Very low | 34.8 | Very low | 102 Ų | 102 | 136.2 Ų | 136.2 | 66% | 0.662 | 77% | 0.765 | S | S | * | * | | | trans | -87 | -164.6 | -170 | 43.6 | -43.6 | 0 | 0 | 0 | 112.3 | | |
| 235 | P | 54.9 | Low | 34.8 | Very low | 120 Ų | 120 | 135.8 Ų | 135.8 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | | | cis | -137.6 | -163.7 | 13.6 | 45.3 | -22.9 | 0 | 0 | 0 | 114.8 | | |
| 236 | S | 33.5 | Very low | 35.9 | Very low | 93 Ų | 93 | 136 Ų | 136 | 65% | 0.65 | 76% | 0.76 | S | S | * | * | | | cis | -158.6 | 165.2 | 12.9 | 76.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 237 | R | 38.6 | Very low | 35.7 | Very low | 227 Ų | 227 | 138.3 Ų | 138.3 | 86% | 0.857 | 77% | 0.765 | S | S | * | * | | | trans | 67.4 | 147.1 | 160.7 | -70.4 | -178 | 161.3 | -177.5 | -6.5 | 117.1 | | |
| 238 | T | 33.5 | Very low | 35.6 | Very low | 126 Ų | 126 | 138.6 Ų | 138.6 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | | | cis | -153.4 | 154.5 | 3.8 | -8.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 239 | A | 35.4 | Very low | 35.8 | Very low | 104 Ų | 104 | 143.2 Ų | 143.2 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | | | trans | 65.5 | 152.9 | 158.8 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 240 | G | 36.8 | Very low | 35.7 | Very low | 67 Ų | 67 | 143.5 Ų | 143.5 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | | | trans | 104.9 | 91.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 241 | V | 30.9 | Very low | 35.4 | Very low | 143 Ų | 143 | 148.8 Ų | 148.8 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | | | trans | -100.3 | 121.5 | 176.9 | 169.6 | 0 | 0 | 0 | 0 | 108 | | |
| 242 | L | 30.6 | Very low | 35.5 | Very low | 142 Ų | 142 | 144.8 Ų | 144.8 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | | | | 68.2 | 132.9 | 52 | -63.1 | 171.9 | 0 | 0 | 0 | 112.9 | | |
| 243 | K | 36.3 | Very low | 35.6 | Very low | 168 Ų | 168 | 147.7 Ų | 147.7 | 73% | 0.73 | 79% | 0.786 | S | S | * | * | | | cis | -149.5 | 158.6 | -0.9 | -101.6 | -177.3 | -179.3 | -179.4 | 0 | 106.6 | | |
| 244 | W | 29.2 | Very low | 35.7 | Very low | 227 Ų | 227 | 143.7 Ų | 143.7 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | | | | 81.5 | 90.3 | 54.1 | -153.8 | 10.5 | 0 | 0 | 0 | 116.5 | | |
| 245 | S | 32.1 | Very low | 34.8 | Very low | 101 Ų | 101 | 147.7 Ų | 147.7 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | | | trans | 67.4 | -168.8 | 158.2 | -55.1 | 0 | 0 | 0 | 0 | 118.2 | | |
| 246 | P | 55 | Low | 33.7 | Very low | 124 Ų | 124 | 147.4 Ų | 147.4 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | | | | -132.7 | -168 | -105.5 | 41.4 | -21.2 | 0 | 0 | 0 | 116.1 | | |
| 247 | S | 26.5 | Very low | 34.7 | Very low | 121 Ų | 121 | 147.5 Ų | 147.5 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | | | trans | 107.9 | 168 | 164 | -155.8 | 0 | 0 | 0 | 0 | 117.2 | | |
| 248 | C | 30.8 | Very low | 34.6 | Very low | 107 Ų | 107 | 145.3 Ų | 145.3 | 72% | 0.723 | 78% | 0.782 | S | S | * | * | | | trans | -103.5 | 146.9 | -159.8 | -41 | 0 | 0 | 0 | 0 | 114.3 | | |
| 249 | R | 34 | Very low | 34.7 | Very low | 248 Ų | 248 | 147 Ų | 147 | 94% | 0.936 | 79% | 0.786 | S | S | * | * | | | | -175.2 | 155.9 | 119.7 | -109.2 | 176.1 | -75.8 | -151 | 2.2 | 116.9 | | |
| 250 | L | 34.2 | Very low | 35.6 | Very low | 154 Ų | 154 | 149 Ų | 149 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | | | trans | -56.8 | 142.6 | 167 | 178.9 | 83.3 | 0 | 0 | 0 | 114.8 | | |
| 251 | R | 28.6 | Very low | 35.7 | Very low | 239 Ų | 239 | 153.6 Ų | 153.6 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | | | trans | -166.7 | 152 | 137 | -158.9 | 169.3 | -179.2 | -165.7 | -0.9 | 112.6 | | |
| 252 | N | 33.6 | Very low | 36 | Very low | 129 Ų | 129 | 151 Ų | 151 | 69% | 0.69 | 78% | 0.777 | S | S | * | * | | | trans | -105.9 | 149.4 | 179.1 | -27.7 | -25.5 | 0 | 0 | 0 | 111.1 | | |
| 253 | K | 33.3 | Very low | 36 | Very low | 191 Ų | 191 | 150.6 Ų | 150.6 | 83% | 0.83 | 78% | 0.776 | S | S | * | * | | | | 173.4 | 135.6 | 127.7 | -108 | -155.4 | 160.5 | -153.3 | 0 | 115.2 | | |
| 254 | T | 33 | Very low | 36.1 | Very low | 84 Ų | 84 | 147.3 Ų | 147.3 | 52% | 0.515 | 77% | 0.774 | S | S | . | * | | | | 71.5 | 132.6 | 127.6 | -59.7 | 0 | 0 | 0 | 0 | 122.7 | | |
| 255 | E | 30.3 | Very low | 36.6 | Very low | 187 Ų | 187 | 143.1 Ų | 143.1 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | | | trans | 59.4 | 117.5 | 155.3 | -75.2 | 144.4 | -151.9 | 0 | 0 | 122.6 | | |
| 256 | S | 31.2 | Very low | 36.8 | Very low | 113 Ų | 113 | 143.7 Ų | 143.7 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | | | | -161.9 | 153.2 | 112.2 | -162.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 257 | P | 53.8 | Low | 36.3 | Very low | 96 Ų | 96 | 144 Ų | 144 | 62% | 0.623 | 78% | 0.776 | S | S | * | * | | | trans | -107.4 | -160.7 | -177.9 | 30.8 | -12.3 | 0 | 0 | 0 | 112.5 | | |
| 258 | E | 38.2 | Very low | 36.6 | Very low | 181 Ų | 181 | 143 Ų | 143 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | | | trans | 75.4 | 99.2 | 163.7 | -58.5 | 155.4 | -111.5 | 0 | 0 | 117.9 | | |
| 259 | D | 35.2 | Very low | 36.7 | Very low | 160 Ų | 160 | 143 Ų | 143 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | | | | -156 | 165.9 | 108.2 | -150.5 | -11.9 | 0 | 0 | 0 | 110.2 | | |
| 260 | L | 53.1 | Low | 36.8 | Very low | 147 Ų | 147 | 137.6 Ų | 137.6 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | | | trans | -112.8 | -175.6 | 178.1 | -70.9 | 170.7 | 0 | 0 | 0 | 111.1 | | |
| 261 | L | 39.3 | Very low | 37 | Very low | 163 Ų | 163 | 136.3 Ų | 136.3 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | | | trans | 72.7 | 139.6 | 177 | -42.2 | 177.1 | 0 | 0 | 0 | 114.2 | | |
| 262 | S | 36.8 | Very low | 37.2 | Very low | 88 Ų | 88 | 129.5 Ų | 129.5 | 62% | 0.615 | 76% | 0.755 | S | S | * | * | | | cis | -160.5 | 151.8 | -14.1 | -119.9 | 0 | 0 | 0 | 0 | 111.3 | | |
| 263 | D | 31.4 | Very low | 37.1 | Very low | 134 Ų | 134 | 131 Ų | 131 | 72% | 0.717 | 76% | 0.762 | S | S | * | * | | | trans | 49.1 | 105.9 | 140.3 | -55.1 | -51.5 | 0 | 0 | 0 | 121.9 | | |
| 264 | S | 39.1 | Very low | 37 | Very low | 100 Ų | 100 | 127.9 Ų | 127.9 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | | | | 82.9 | 144.3 | 116.5 | 79.7 | 0 | 0 | 0 | 0 | 121.4 | | |
| 265 | V | 39 | Very low | 37.2 | Very low | 138 Ų | 138 | 129.4 Ų | 129.4 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | | | trans | 49.2 | 142.9 | 155.2 | -57.9 | 0 | 0 | 0 | 0 | 119.8 | | |
| 266 | S | 37.1 | Very low | 37.5 | Very low | 113 Ų | 113 | 129.8 Ų | 129.8 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | | | cis | -156.2 | 164 | 20.1 | -148 | 0 | 0 | 0 | 0 | 113.1 | | |
| 267 | V | 42.8 | Very low | 37.7 | Very low | 130 Ų | 130 | 132 Ų | 132 | 79% | 0.788 | 78% | 0.78 | S | S | * | * | | | trans | -84.5 | 139.7 | 165.8 | 171.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 268 | A | 33.6 | Very low | 36.7 | Very low | 102 Ų | 102 | 132.3 Ų | 132.3 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | | | trans | -151.3 | 106.2 | 161 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 269 | S | 33.6 | Very low | 36.7 | Very low | 107 Ų | 107 | 129.4 Ų | 129.4 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | | | trans | -86.7 | 128.7 | 166.9 | -61.8 | 0 | 0 | 0 | 0 | 109 | T271 | S269-T271 PolarHBondContact O-N 2.94Š|
| 270 | D | 36.5 | Very low | 37 | Very low | 134 Ų | 134 | 128.9 Ų | 128.9 | 72% | 0.717 | 78% | 0.78 | S | S | * | * | | | trans | -86.4 | 108 | 176.4 | -177.1 | 6.7 | 0 | 0 | 0 | 111 | S272 | D270-S272 WeakPolarHBondContact OD1-CB 3.47Å; D270-S272 PolarHBondContact OD1-N 2.62Å; D270-S272 PolarHBondContact OD1-OG 3.28Å |
| 271 | T | 37.4 | Very low | 36.5 | Very low | 126 Ų | 126 | 128.9 Ų | 128.9 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | | | trans | -127.1 | 81.8 | 164.7 | 53.9 | 0 | 0 | 0 | 0 | 108.7 | S269 | S269-T271 PolarHBondContact O-N 2.94Š|
| 272 | S | 32.8 | Very low | 36.3 | Very low | 96 Ų | 96 | 125 Ų | 125 | 67% | 0.671 | 78% | 0.78 | S | S | * | * | | | trans | -93.1 | 96.7 | -175.5 | -68.1 | 0 | 0 | 0 | 0 | 113.5 | D270 | D270-S272 WeakPolarHBondContact OD1-CB 3.47Å; D270-S272 PolarHBondContact OD1-N 2.62Å; D270-S272 PolarHBondContact OD1-OG 3.28Å |
| 273 | D | 31.4 | Very low | 36.9 | Very low | 160 Ų | 160 | 129.6 Ų | 129.6 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | | | trans | -72.6 | 133.2 | 170 | -77 | -53.7 | 0 | 0 | 0 | 112.5 | S275 | D273-S275 PolarHBondContact O-N 3.08Š|
| 274 | C | 32.2 | Very low | 37.2 | Very low | 126 Ų | 126 | 134.7 Ų | 134.7 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | | | trans | -87.5 | 94.6 | -179.3 | -77.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 275 | S | 37.1 | Very low | 37 | Very low | 117 Ų | 117 | 135.4 Ų | 135.4 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | trans | -72.9 | 134.9 | 170.5 | -176.5 | 0 | 0 | 0 | 0 | 112.5 | D273 | D273-S275 PolarHBondContact O-N 3.08Š|
| 276 | F | 35 | Very low | 36.8 | Very low | 194 Ų | 194 | 137.3 Ų | 137.3 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | | | trans | -88.5 | 126.5 | 167.7 | -86.8 | -102.2 | 0 | 0 | 0 | 110.3 | | |
| 277 | N | 36.1 | Very low | 36.8 | Very low | 161 Ų | 161 | 136.2 Ų | 136.2 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | | | trans | -157.1 | 160.7 | 138.8 | -122.6 | -54.4 | 0 | 0 | 0 | 116.9 | | |
| 278 | S | 33.6 | Very low | 37.3 | Very low | 102 Ų | 102 | 135.7 Ų | 135.7 | 71% | 0.713 | 80% | 0.804 | S | S | * | * | | | trans | -80.6 | 147.2 | -173.6 | 176.1 | 0 | 0 | 0 | 0 | 114 | | |
| 279 | S | 38.2 | Very low | 38.4 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | | | trans | -149.1 | 104.4 | 155.1 | 52.2 | 0 | 0 | 0 | 0 | 114.9 | | |
| 280 | L | 40.6 | Very low | 38.3 | Very low | 150 Ų | 150 | 135.6 Ų | 135.6 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | | | trans | 3.2 | 124.8 | 151.6 | -65.2 | 164.4 | 0 | 0 | 0 | 121.8 | | |
| 281 | L | 42.1 | Very low | 38.5 | Very low | 146 Ų | 146 | 137.4 Ų | 137.4 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | | | | 41.1 | 109.6 | 125.3 | -83.3 | 161.2 | 0 | 0 | 0 | 120.8 | | |
| 282 | G | 36.7 | Very low | 38.6 | Very low | 82 Ų | 82 | 138.6 Ų | 138.6 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | | | trans | -137.5 | 110.9 | 158.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 283 | K | 49.5 | Very low | 38.7 | Very low | 184 Ų | 184 | 138.8 Ų | 138.8 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | | | trans | -99.7 | 127.5 | -175.4 | -58.4 | 175.7 | -176.2 | 174.3 | 0 | 113.2 | | |
| 284 | R | 37.8 | Very low | 38.8 | Very low | 241 Ų | 241 | 134.4 Ų | 134.4 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | | | trans | -157.6 | 117.8 | 143.5 | -64.7 | -163.3 | -65.7 | 158.7 | 1.4 | 107.4 | | |
| 285 | S | 34.3 | Very low | 39.2 | Very low | 115 Ų | 115 | 135.9 Ų | 135.9 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | cis | 81.7 | 96.9 | 45 | -165.7 | 0 | 0 | 0 | 0 | 114.9 | | |
| 286 | L | 34.3 | Very low | 39.3 | Very low | 179 Ų | 179 | 141 Ų | 141 | 94% | 0.937 | 80% | 0.798 | S | S | * | * | | | trans | -155.6 | 159.7 | 141.3 | -83.5 | -167.2 | 0 | 0 | 0 | 108.9 | | |
| 287 | A | 37.6 | Very low | 39.5 | Very low | 90 Ų | 90 | 140.1 Ų | 140.1 | 74% | 0.744 | 79% | 0.794 | S | S | * | * | | | trans | -153.8 | -164.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 288 | P | 53.9 | Low | 39.8 | Very low | 118 Ų | 118 | 139.8 Ų | 139.8 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | | | | -109.4 | -160.9 | -81.8 | 39.6 | -25.4 | 0 | 0 | 0 | 110.5 | | |
| 289 | P | 54.9 | Low | 40 | Very low | 107 Ų | 107 | 139.7 Ų | 139.7 | 70% | 0.695 | 79% | 0.791 | S | S | * | * | | | | -158 | 170 | 78 | 41.9 | -21.2 | 0 | 0 | 0 | 118.7 | | |
| 290 | S | 33.3 | Very low | 39.8 | Very low | 100 Ų | 100 | 139.6 Ų | 139.6 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | | | trans | 77.3 | 154.9 | 152.2 | 88.6 | 0 | 0 | 0 | 0 | 118 | | |
| 291 | K | 39 | Very low | 39.5 | Very low | 172 Ų | 172 | 139.6 Ų | 139.6 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | | | cis | -161.3 | 141.3 | 7.4 | -134.9 | 154.9 | -168.8 | 173.2 | 0 | 110.9 | | |
| 292 | N | 39.6 | Very low | 39.3 | Very low | 152 Ų | 152 | 142.2 Ų | 142.2 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | | | trans | 63.5 | 165 | 154.9 | -58.1 | -8.1 | 0 | 0 | 0 | 118.8 | | |
| 293 | A | 35 | Very low | 39.2 | Very low | 99 Ų | 99 | 142.4 Ų | 142.4 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | cis | -166.4 | 156.4 | -34.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 294 | G | 33.3 | Very low | 39.3 | Very low | 68 Ų | 68 | 139.3 Ų | 139.3 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | | | trans | 124.8 | 112.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 295 | L | 40.4 | Very low | 39.8 | Very low | 158 Ų | 158 | 132.8 Ų | 132.8 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | | | cis | 62.2 | 116.2 | 25.7 | -74 | 169 | 0 | 0 | 0 | 112.4 | | |
| 296 | R | 39.9 | Very low | 39.9 | Very low | 223 Ų | 223 | 133.7 Ų | 133.7 | 84% | 0.842 | 77% | 0.771 | S | S | * | * | | | cis | -139.9 | 151.9 | 14.5 | -79.8 | 174.3 | -78.9 | -158.9 | -2.1 | 110.1 | | |
| 297 | K | 38.9 | Very low | 40 | Very low | 176 Ų | 176 | 134.4 Ų | 134.4 | 77% | 0.765 | 77% | 0.769 | S | S | * | * | | | | 61.5 | 129.7 | 61.7 | -84.6 | -170.3 | 179.5 | -174 | 0 | 112.8 | | |
| 298 | L | 42.8 | Very low | 39.6 | Very low | 155 Ų | 155 | 133.5 Ų | 133.5 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | | | cis | -127.6 | -149.3 | 1.1 | -79.5 | 129.4 | 0 | 0 | 0 | 109.1 | | |
| 299 | S | 38.8 | Very low | 38.4 | Very low | 100 Ų | 100 | 138.9 Ų | 138.9 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | | | cis | -159.1 | 152 | 8.7 | 84.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 300 | V | 33.7 | Very low | 37.4 | Very low | 116 Ų | 116 | 140.4 Ų | 140.4 | 70% | 0.703 | 77% | 0.77 | S | S | * | * | | | | 71.3 | 115.6 | 82.8 | 179.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 301 | I | 34.5 | Very low | 37.4 | Very low | 151 Ų | 151 | 141.4 Ų | 141.4 | 77% | 0.774 | 77% | 0.771 | S | S | * | * | | | cis | -159.8 | 167.2 | 35.9 | -137.5 | 157.4 | 0 | 0 | 0 | 114.8 | | |
| 302 | K | 36.2 | Very low | 37.1 | Very low | 200 Ų | 200 | 138.7 Ų | 138.7 | 87% | 0.87 | 77% | 0.769 | S | S | * | * | | | trans | 83 | 148.2 | 161.1 | -97.4 | 175.4 | 177.2 | 177.6 | 0 | 122.8 | | |
| 303 | A | 36.3 | Very low | 36.6 | Very low | 86 Ų | 86 | 139.1 Ų | 139.1 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | | | trans | -160.7 | -174.6 | 177 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 304 | P | 51.4 | Low | 36.7 | Very low | 120 Ų | 120 | 137.8 Ų | 137.8 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | | | cis | -111.3 | -125.9 | -17.3 | 32.3 | -9.1 | 0 | 0 | 0 | 108 | | |
| 305 | P | 47.4 | Very low | 36.7 | Very low | 104 Ų | 104 | 145.3 Ų | 145.3 | 68% | 0.675 | 78% | 0.775 | S | S | * | * | | | cis | -133.5 | 146.5 | -27.2 | 29.4 | -7.1 | 0 | 0 | 0 | 118.3 | | |
| 306 | V | 35.6 | Very low | 36.3 | Very low | 133 Ų | 133 | 147.1 Ų | 147.1 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | | | trans | 31.7 | 143.4 | 140.6 | -145.7 | 0 | 0 | 0 | 0 | 123.9 | | |
| 307 | Q | 36.8 | Very low | 35.7 | Very low | 195 Ų | 195 | 141.6 Ų | 141.6 | 91% | 0.911 | 77% | 0.767 | S | S | * | * | | | trans | 90.8 | 130.9 | 162.3 | -51.2 | -170.7 | 9.9 | 0 | 0 | 117.2 | | |
| 308 | G | 29.9 | Very low | 35.1 | Very low | 71 Ų | 71 | 138.2 Ų | 138.2 | 73% | 0.732 | 77% | 0.766 | S | S | * | * | | | cis | 168.4 | 168.5 | -11.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 309 | W | 27.8 | Very low | 34.4 | Very low | 230 Ų | 230 | 136.1 Ų | 136.1 | 87% | 0.871 | 76% | 0.764 | S | S | * | * | | | trans | 68 | 139.7 | 160.8 | -141 | -100.1 | 0 | 0 | 0 | 117.3 | | |
| 310 | K | 35.1 | Very low | 33.8 | Very low | 140 Ų | 140 | 136.6 Ų | 136.6 | 61% | 0.609 | 77% | 0.767 | S | S | * | * | | | cis | -173.2 | 164.1 | -19.2 | -111.8 | -164.4 | -166.6 | 174.4 | 0 | 107.6 | | |
| 311 | V | 32.6 | Very low | 33.5 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | | | trans | 68.5 | 137.7 | 143.2 | 157.6 | 0 | 0 | 0 | 0 | 117.5 | | |
| 312 | T | 33.6 | Very low | 33.2 | Very low | 114 Ų | 114 | 134 Ų | 134 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | | | cis | -157 | 159.8 | 4.9 | 5.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 313 | D | 29.3 | Very low | 32.9 | Very low | 161 Ų | 161 | 129.8 Ų | 129.8 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | | | trans | 62.9 | 167.9 | 145.9 | -108.2 | -61.5 | 0 | 0 | 0 | 124.8 | | |
| 314 | G | 35.7 | Very low | 32.7 | Very low | 72 Ų | 72 | 133.7 Ų | 133.7 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | | | trans | 121.1 | 18.7 | 159.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 315 | R | 34.9 | Very low | 31.6 | Very low | 225 Ų | 225 | 132.3 Ų | 132.3 | 85% | 0.849 | 77% | 0.765 | S | S | * | * | | | trans | -100.9 | 107.8 | -172.6 | -165.8 | -172 | -57.7 | -134.5 | 1.9 | 114.7 | | |
| 316 | K | 31 | Very low | 30.7 | Very low | 196 Ų | 196 | 132.9 Ų | 132.9 | 85% | 0.852 | 77% | 0.772 | S | S | * | * | | | trans | -141.9 | 132.8 | 157.1 | -65.8 | -172.5 | -178.7 | -177.9 | 0 | 107.1 | | |
| 317 | T | 27.5 | Very low | 30.6 | Very low | 108 Ų | 108 | 135.8 Ų | 135.8 | 66% | 0.663 | 77% | 0.774 | S | S | * | * | | | cis | 66.6 | 132.2 | 28.4 | 78.1 | 0 | 0 | 0 | 0 | 115.4 | | |
| 318 | S | 27.1 | Very low | 30.5 | Very low | 104 Ų | 104 | 133.5 Ų | 133.5 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | | | cis | -172.4 | 164.6 | -13.2 | -93.7 | 0 | 0 | 0 | 0 | 108.5 | | |
| 319 | S | 27.8 | Very low | 30.5 | Very low | 112 Ų | 112 | 134.9 Ų | 134.9 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | | | trans | 59.4 | 125.3 | 152.2 | -55.8 | 0 | 0 | 0 | 0 | 121 | | |
| 320 | S | 25.6 | Very low | 30.6 | Very low | 109 Ų | 109 | 129.1 Ų | 129.1 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | | | | -177.6 | 146 | 110 | -70.4 | 0 | 0 | 0 | 0 | 107.4 | | |
| 321 | S | 27.3 | Very low | 30.6 | Very low | 110 Ų | 110 | 130.6 Ų | 130.6 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | | | cis | 65 | 129.8 | 44.3 | -56.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 322 | S | 28.1 | Very low | 30.6 | Very low | 103 Ų | 103 | 130.2 Ų | 130.2 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | | | cis | -168.9 | 158.2 | -11.7 | 46.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 323 | S | 30.4 | Very low | 30.5 | Very low | 112 Ų | 112 | 133.1 Ų | 133.1 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | | | trans | 64.4 | 109.6 | 153.9 | -55.1 | 0 | 0 | 0 | 0 | 120.2 | | |
| 324 | L | 31.7 | Very low | 30.5 | Very low | 167 Ų | 167 | 131.2 Ų | 131.2 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | | | trans | -128.5 | 109.1 | 148.2 | -74.3 | 178.8 | 0 | 0 | 0 | 107.1 | | |
| 325 | S | 29 | Very low | 30.7 | Very low | 91 Ų | 91 | 133.9 Ų | 133.9 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | | | | 76.5 | 119.9 | 97.7 | 78.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 326 | S | 28.9 | Very low | 30.6 | Very low | 117 Ų | 117 | 128.1 Ų | 128.1 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | -82.8 | 119.7 | -167.4 | 54.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 327 | F | 32.3 | Very low | 31.1 | Very low | 194 Ų | 194 | 126 Ų | 126 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | | | trans | -91.2 | 118.6 | 159.6 | -80.6 | -81.6 | 0 | 0 | 0 | 110.7 | | |
| 328 | N | 35 | Very low | 31.5 | Very low | 146 Ų | 146 | 124.4 Ų | 124.4 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | | | trans | -103.2 | 82.9 | -179.7 | -176.2 | 9.6 | 0 | 0 | 0 | 110.9 | | |
| 329 | S | 28.8 | Very low | 32.4 | Very low | 100 Ų | 100 | 129.1 Ų | 129.1 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | | | trans | -124 | 78.7 | -179.6 | -66.8 | 0 | 0 | 0 | 0 | 111.2 | M331 | S329-M331 VanDerWaalsContact C-N 3.33Å; S329-M331 PolarHBondContact O-N 3.2Å |
| 330 | S | 30.5 | Very low | 32.9 | Very low | 109 Ų | 109 | 132 Ų | 132 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | | | trans | -74.9 | 79.1 | 176.4 | -68.4 | 0 | 0 | 0 | 0 | 112 | S332 | S330-S332 PolarHBondContact O-N 2.72Š|
| 331 | M | 34.8 | Very low | 33.5 | Very low | 172 Ų | 172 | 134.6 Ų | 134.6 | 85% | 0.847 | 81% | 0.812 | S | S | * | * | | | trans | -83.8 | 101.7 | 163.9 | -76.5 | -158.6 | 72.2 | 0 | 0 | 110.5 | S329 | S329-M331 VanDerWaalsContact C-N 3.33Å; S329-M331 PolarHBondContact O-N 3.2Å |
| 332 | S | 32.8 | Very low | 33.6 | Very low | 112 Ų | 112 | 135.1 Ų | 135.1 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | | | trans | -108.6 | 102.4 | 169.6 | 48.2 | 0 | 0 | 0 | 0 | 110.9 | S330 | S330-S332 PolarHBondContact O-N 2.72Š|
| 333 | Q | 31.4 | Very low | 34 | Very low | 175 Ų | 175 | 135 Ų | 135 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | | | trans | -131.1 | 133.4 | 160.1 | -68.8 | -164.1 | 23.7 | 0 | 0 | 109.8 | | |
| 334 | S | 29.9 | Very low | 34.2 | Very low | 122 Ų | 122 | 136.7 Ų | 136.7 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | | | trans | -145.8 | 145.8 | 165.7 | -75 | 0 | 0 | 0 | 0 | 107.9 | | |
| 335 | P | 39.9 | Very low | 34.2 | Very low | 128 Ų | 128 | 135.5 Ų | 135.5 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | | | trans | -87 | 150 | -155.9 | 33 | -36.7 | 0 | 0 | 0 | 113.9 | | |
| 336 | A | 32.3 | Very low | 34.2 | Very low | 103 Ų | 103 | 142.2 Ų | 142.2 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | | | trans | -129.2 | 119.1 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 337 | T | 42.8 | Very low | 34.2 | Very low | 151 Ų | 151 | 142.2 Ų | 142.2 | 93% | 0.926 | 82% | 0.819 | S | S | * | * | | | trans | -88.6 | 133.5 | -177.2 | 48 | 0 | 0 | 0 | 0 | 111.3 | | |
| 338 | G | 34.2 | Very low | 34.2 | Very low | 75 Ų | 75 | 138.1 Ų | 138.1 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | | | trans | -148.2 | 96.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 339 | K | 46.2 | Very low | 33.9 | Very low | 204 Ų | 204 | 136.9 Ų | 136.9 | 89% | 0.887 | 81% | 0.813 | S | S | * | * | | | trans | -79.3 | 126.5 | 170.4 | -71.4 | 178.9 | 175.9 | 177.6 | 0 | 110.2 | | |
| 340 | L | 39.1 | Very low | 33.8 | Very low | 173 Ų | 173 | 138.9 Ų | 138.9 | 91% | 0.906 | 82% | 0.816 | S | S | * | * | | | trans | -135.4 | 135.7 | 161.6 | -72.8 | 177.6 | 0 | 0 | 0 | 110.1 | | |
| 341 | N | 38.5 | Very low | 33.9 | Very low | 163 Ų | 163 | 138.3 Ų | 138.3 | 87% | 0.872 | 81% | 0.812 | S | S | * | * | | | trans | -101.2 | 138.2 | 176.6 | -43.1 | -70.9 | 0 | 0 | 0 | 109.2 | | |
| 342 | S | 29.6 | Very low | 33.7 | Very low | 121 Ų | 121 | 138 Ų | 138 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | | | trans | -160.3 | 130.1 | 149.2 | -160.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 343 | S | 35.3 | Very low | 33.5 | Very low | 100 Ų | 100 | 136.1 Ų | 136.1 | 70% | 0.699 | 81% | 0.812 | S | S | * | * | | | trans | -99.1 | 150.4 | 165.2 | 51.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 344 | L | 34.3 | Very low | 34 | Very low | 148 Ų | 148 | 133.7 Ų | 133.7 | 78% | 0.775 | 81% | 0.811 | S | S | * | * | | | trans | 179.1 | 116.3 | 135.4 | -102.1 | 139.1 | 0 | 0 | 0 | 112.7 | | |
| 345 | N | 32.5 | Very low | 33.9 | Very low | 142 Ų | 142 | 132 Ų | 132 | 76% | 0.759 | 81% | 0.805 | S | S | * | * | | | trans | 35 | 97.5 | 142.2 | -56.7 | -2.4 | 0 | 0 | 0 | 119.3 | | |
| 346 | R | 29.6 | Very low | 33.4 | Very low | 232 Ų | 232 | 133.9 Ų | 133.9 | 88% | 0.875 | 80% | 0.802 | S | S | * | * | | | trans | -79.3 | 115.9 | 147.4 | 176.9 | -176 | -80.2 | -146.9 | -0.8 | 108.7 | V348 | R346-V348 HydrophobicContact CG-CG2 3.94Š|
| 347 | S | 28.4 | Very low | 33.2 | Very low | 116 Ų | 116 | 135.2 Ų | 135.2 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | | | trans | -111.3 | 145.3 | 159 | -80.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 348 | V | 32.8 | Very low | 32.9 | Very low | 108 Ų | 108 | 133.1 Ų | 133.1 | 66% | 0.655 | 79% | 0.791 | S | S | * | * | | | trans | -125.7 | 123.9 | -173.6 | -169.2 | 0 | 0 | 0 | 0 | 108.4 | R346 | R346-V348 HydrophobicContact CG-CG2 3.94Š|
| 349 | S | 27.4 | Very low | 32.9 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | | | trans | -150.8 | 111.5 | 170.5 | -71.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 350 | N | 27.3 | Very low | 32.3 | Very low | 143 Ų | 143 | 135.3 Ų | 135.3 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | | | trans | -89.6 | 153.3 | 168.2 | -74.5 | 13 | 0 | 0 | 0 | 110.3 | | |
| 351 | S | 33.1 | Very low | 31.9 | Very low | 97 Ų | 97 | 134.2 Ų | 134.2 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | | | trans | 38 | 118.1 | 147 | 60 | 0 | 0 | 0 | 0 | 120.1 | | |
| 352 | N | 30.1 | Very low | 31.5 | Very low | 166 Ų | 166 | 136.1 Ų | 136.1 | 89% | 0.888 | 78% | 0.775 | S | S | * | * | | | | -168.7 | 156.4 | 108.3 | -87.7 | -23 | 0 | 0 | 0 | 111.1 | | |
| 353 | G | 28.8 | Very low | 31.7 | Very low | 72 Ų | 72 | 140 Ų | 140 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | | | trans | -92 | -158.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 354 | P | 43 | Very low | 31.5 | Very low | 124 Ų | 124 | 140 Ų | 140 | 81% | 0.805 | 77% | 0.771 | S | S | * | * | | | cis | -131.2 | -164.7 | 7.7 | 42.7 | -25.1 | 0 | 0 | 0 | 114.4 | | |
| 355 | A | 26.2 | Very low | 31.3 | Very low | 86 Ų | 86 | 138.5 Ų | 138.5 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | | | trans | 22 | 147.7 | 142.1 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 356 | E | 30 | Very low | 31.5 | Very low | 168 Ų | 168 | 139.3 Ų | 139.3 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | | | cis | -170 | -176.8 | 1.9 | -127.5 | -175 | -141.6 | 0 | 0 | 111.4 | | |
| 357 | T | 28.8 | Very low | 31.6 | Very low | 131 Ų | 131 | 133 Ų | 133 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | | | trans | 71.7 | 155.1 | 164.7 | 73.7 | 0 | 0 | 0 | 0 | 119.5 | | |
| 358 | S | 36.2 | Very low | 31.7 | Very low | 106 Ų | 106 | 132.1 Ų | 132.1 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | | | cis | -170.3 | 169 | -29.6 | -175.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 359 | S | 33.3 | Very low | 31.4 | Very low | 100 Ų | 100 | 132.3 Ų | 132.3 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | | | trans | 74.4 | 146.3 | 165.9 | 82.7 | 0 | 0 | 0 | 0 | 117.6 | | |
| 360 | R | 34.6 | Very low | 31.5 | Very low | 226 Ų | 226 | 130.6 Ų | 130.6 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | | | cis | -155.6 | 125.6 | -6.5 | -114 | 160.2 | -168.1 | -162.2 | 5 | 107 | | |
| 361 | L | 29.3 | Very low | 31.6 | Very low | 150 Ų | 150 | 132.3 Ų | 132.3 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | | | | 96.2 | 109.4 | 77.4 | -178 | 99.6 | 0 | 0 | 0 | 115 | | |
| 362 | R | 31.2 | Very low | 31.4 | Very low | 202 Ų | 202 | 134.4 Ų | 134.4 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | | | | -176.5 | 135.5 | 126.8 | -106.5 | -177.8 | -178.5 | -155.8 | 1.4 | 115.2 | | |
| 363 | R | 33.3 | Very low | 31.4 | Very low | 202 Ų | 202 | 134.2 Ų | 134.2 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | | | trans | 52 | 107 | 147.7 | -75 | -177.4 | -176.7 | -177.9 | -0.8 | 118.7 | | |
| 364 | S | 31.5 | Very low | 31.3 | Very low | 100 Ų | 100 | 135.7 Ų | 135.7 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | | | | 84.7 | 138.6 | 77.3 | 72.1 | 0 | 0 | 0 | 0 | 113.1 | | |
| 365 | T | 30.8 | Very low | 30.6 | Very low | 118 Ų | 118 | 135 Ų | 135 | 72% | 0.724 | 76% | 0.764 | S | S | * | * | | | cis | -150.7 | 148.9 | 32.7 | 44.6 | 0 | 0 | 0 | 0 | 114.4 | | |
| 366 | L | 35.8 | Very low | 30.7 | Very low | 159 Ų | 159 | 141.9 Ų | 141.9 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | | | trans | 42 | 142 | 134.3 | -54.6 | 177.9 | 0 | 0 | 0 | 121.4 | | |
| 367 | S | 31.9 | Very low | 30.6 | Very low | 98 Ų | 98 | 138.5 Ų | 138.5 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | | | cis | -177.7 | 153.6 | -3.5 | 46.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 368 | A | 29.3 | Very low | 30.5 | Very low | 99 Ų | 99 | 135.8 Ų | 135.8 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | trans | 66.7 | 159 | 149.2 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 369 | S | 27.3 | Very low | 30.3 | Very low | 112 Ų | 112 | 136.3 Ų | 136.3 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | | | cis | -169.6 | 164.2 | -30.8 | -165.5 | 0 | 0 | 0 | 0 | 111 | | |
| 370 | A | 30.1 | Very low | 30.1 | Very low | 83 Ų | 83 | 142.6 Ų | 142.6 | 69% | 0.686 | 78% | 0.782 | S | S | * | * | | | trans | 48.8 | 113.9 | 152.8 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 371 | E | 28.7 | Very low | 29.9 | Very low | 180 Ų | 180 | 136.1 Ų | 136.1 | 84% | 0.841 | 77% | 0.772 | S | S | * | * | | | | 54.6 | 155.1 | 106.3 | -143.9 | 170.5 | -154.3 | 0 | 0 | 123.6 | | |
| 372 | L | 28.9 | Very low | 30 | Very low | 140 Ų | 140 | 137.2 Ų | 137.2 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | | | trans | 88.9 | 114.5 | 164.2 | -58 | 178.1 | 0 | 0 | 0 | 121.4 | | |
| 373 | L | 30.1 | Very low | 30.6 | Very low | 163 Ų | 163 | 132.3 Ų | 132.3 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | | | | 32.5 | 138.3 | 129.7 | -57.7 | 177.3 | 0 | 0 | 0 | 123.1 | | |
| 374 | S | 27.3 | Very low | 30.6 | Very low | 103 Ų | 103 | 128.3 Ų | 128.3 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | | | trans | 93 | 95.3 | 137.1 | -150.9 | 0 | 0 | 0 | 0 | 122.1 | | |
| 375 | S | 27.6 | Very low | 30.7 | Very low | 108 Ų | 108 | 131.3 Ų | 131.3 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | | | | 76 | 143.1 | 126.3 | 84.9 | 0 | 0 | 0 | 0 | 123.5 | | |
| 376 | R | 29.2 | Very low | 30.6 | Very low | 231 Ų | 231 | 129.8 Ų | 129.8 | 87% | 0.872 | 77% | 0.767 | S | S | * | * | | | trans | 101.6 | 93.6 | 131.3 | -161.1 | 170.7 | -177.7 | 171.9 | 1 | 121.7 | | |
| 377 | A | 27.9 | Very low | 30.6 | Very low | 98 Ų | 98 | 131 Ų | 131 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | | | trans | 74.9 | 157.7 | 131 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 378 | G | 26.9 | Very low | 31 | Very low | 73 Ų | 73 | 134.8 Ų | 134.8 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | | | trans | 163.8 | 8.5 | -173 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 379 | S | 32 | Very low | 31.7 | Very low | 117 Ų | 117 | 136.2 Ų | 136.2 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | trans | 3.4 | 134.7 | 145.8 | 55 | 0 | 0 | 0 | 0 | 120.7 | | |
| 380 | R | 29 | Very low | 33 | Very low | 233 Ų | 233 | 135.9 Ų | 135.9 | 88% | 0.879 | 77% | 0.766 | S | S | * | * | | | trans | -146.1 | 105.2 | 159.5 | -163.5 | 165.3 | -161.9 | -99.8 | 1.1 | 114.4 | | |
| 381 | S | 30 | Very low | 33.2 | Very low | 90 Ų | 90 | 139.1 Ų | 139.1 | 63% | 0.629 | 77% | 0.772 | S | S | * | * | | | trans | 47.8 | 129.3 | 152.1 | 61.4 | 0 | 0 | 0 | 0 | 121.6 | | |
| 382 | Q | 31.2 | Very low | 33.5 | Very low | 172 Ų | 172 | 136.1 Ų | 136.1 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | | | cis | 65.7 | 153.3 | 43.4 | -63.3 | -78.1 | -16.6 | 0 | 0 | 113.5 | | |
| 383 | P | 44.3 | Very low | 33.5 | Very low | 100 Ų | 100 | 135.7 Ų | 135.7 | 65% | 0.649 | 76% | 0.76 | S | S | * | * | | | cis | -146.4 | 164.5 | 22.2 | 42.9 | -23.2 | 0 | 0 | 0 | 120.6 | | |
| 384 | T | 32.6 | Very low | 33.6 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 72% | 0.718 | 76% | 0.755 | S | S | * | * | | | trans | 64.3 | 156.8 | 142 | 51.1 | 0 | 0 | 0 | 0 | 122.3 | | |
| 385 | Q | 33.6 | Very low | 33.7 | Very low | 164 Ų | 164 | 136.8 Ų | 136.8 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | | | cis | -106.6 | -152.7 | -6.3 | -62 | -176.7 | 38.3 | 0 | 0 | 109.4 | | |
| 386 | A | 29.6 | Very low | 33.9 | Very low | 85 Ų | 85 | 141.4 Ų | 141.4 | 70% | 0.702 | 76% | 0.762 | S | S | * | * | | | cis | -160.1 | 167.5 | -4.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 387 | K | 35.1 | Very low | 34 | Very low | 185 Ų | 185 | 135.2 Ų | 135.2 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | | | cis | -144.9 | -120.7 | -13.1 | -144.9 | 174.3 | -171.8 | 179.9 | 0 | 109.6 | | |
| 388 | K | 40.7 | Very low | 34.1 | Very low | 178 Ų | 178 | 134.6 Ų | 134.6 | 77% | 0.774 | 76% | 0.755 | S | S | * | * | | | trans | -158 | 164.3 | 177 | -74.3 | -163.6 | 178.9 | -175.2 | 0 | 110.5 | | |
| 389 | P | 44.3 | Very low | 34.4 | Very low | 128 Ų | 128 | 142.8 Ų | 142.8 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | | | | -110.6 | 176.1 | 94.2 | -14.2 | 32.6 | 0 | 0 | 0 | 115.8 | | |
| 390 | P | 53 | Low | 34.3 | Very low | 106 Ų | 106 | 142.6 Ų | 142.6 | 69% | 0.688 | 76% | 0.762 | S | S | * | * | | | trans | -120.5 | 178.1 | -164 | 43.5 | -32.7 | 0 | 0 | 0 | 116.9 | | |
| 391 | D | 34.3 | Very low | 34.8 | Very low | 150 Ų | 150 | 137.7 Ų | 137.7 | 80% | 0.802 | 76% | 0.758 | S | S | * | * | | | trans | -102.9 | 139.1 | 167.1 | 157.7 | 47.4 | 0 | 0 | 0 | 110.7 | | |
| 392 | V | 35.7 | Very low | 35.4 | Very low | 117 Ų | 117 | 138.6 Ų | 138.6 | 71% | 0.709 | 76% | 0.762 | S | S | * | * | | | trans | -154.5 | 114.1 | 173.1 | 175.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 393 | E | 30.1 | Very low | 35.6 | Very low | 131 Ų | 131 | 138 Ų | 138 | 61% | 0.612 | 76% | 0.763 | S | S | * | * | | | trans | 54 | 135.1 | 143.5 | -65.6 | -151.6 | 105.1 | 0 | 0 | 126.4 | | |
| 394 | R | 31.4 | Very low | 35.1 | Very low | 202 Ų | 202 | 142.4 Ų | 142.4 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | | | trans | 68.9 | 100.6 | 132.2 | -74.8 | -177.7 | 172.5 | 126.8 | 8.6 | 123.4 | | |
| 395 | A | 28.3 | Very low | 35.1 | Very low | 88 Ų | 88 | 147.3 Ų | 147.3 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | | | | 84 | 143.6 | 100.3 | 0 | 0 | 0 | 0 | 0 | 124 | | |
| 396 | K | 32.5 | Very low | 35.1 | Very low | 205 Ų | 205 | 143.4 Ų | 143.4 | 89% | 0.891 | 77% | 0.773 | S | S | * | * | | | trans | 84.6 | 131 | 156.6 | -71.5 | -179.5 | 176.3 | 178.6 | 0 | 120.6 | | |
| 397 | A | 31.1 | Very low | 35 | Very low | 101 Ų | 101 | 148 Ų | 148 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | | | trans | 71.7 | 153.9 | 149.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 398 | A | 30.6 | Very low | 35 | Very low | 84 Ų | 84 | 144.2 Ų | 144.2 | 69% | 0.694 | 78% | 0.777 | S | S | * | * | | | cis | -171.1 | 142.7 | -29.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 399 | R | 32.3 | Very low | 34.9 | Very low | 245 Ų | 245 | 142 Ų | 142 | 93% | 0.925 | 78% | 0.779 | S | S | * | * | | | trans | 64.9 | 161.8 | 169 | -60.7 | 174.7 | 174.5 | -173.8 | -3.1 | 114.1 | | |
| 400 | S | 31.4 | Very low | 35 | Very low | 114 Ų | 114 | 141.2 Ų | 141.2 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | | | cis | -153.7 | 166.3 | -5.1 | 19 | 0 | 0 | 0 | 0 | 111.8 | | |
| 401 | T | 37.7 | Very low | 34 | Very low | 129 Ų | 129 | 142.3 Ų | 142.3 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | | | trans | -70.7 | -174.3 | 166.1 | 55.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 402 | P | 44 | Very low | 34.2 | Very low | 109 Ų | 109 | 143.2 Ų | 143.2 | 71% | 0.708 | 78% | 0.777 | S | S | * | * | | | cis | -148.3 | 176.2 | 10 | 44.7 | -24.2 | 0 | 0 | 0 | 120.2 | | |
| 403 | L | 34.8 | Very low | 34.9 | Very low | 160 Ų | 160 | 143.1 Ų | 143.1 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | | | trans | 32.2 | 128.6 | 145.3 | -88.4 | 73.5 | 0 | 0 | 0 | 124.5 | | |
| 404 | K | 34.1 | Very low | 35.1 | Very low | 192 Ų | 192 | 142.6 Ų | 142.6 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | | | | 153.6 | 166.4 | 121.6 | -89.2 | -179.6 | -179.3 | 178.8 | 0 | 111 | | |
| 405 | R | 33.1 | Very low | 35.8 | Very low | 221 Ų | 221 | 138.5 Ų | 138.5 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | | | cis | 178.2 | 156.4 | -36.6 | 166.7 | 176.6 | -97 | -175.2 | -4.4 | 107.1 | | |
| 406 | A | 32.1 | Very low | 36.9 | Very low | 82 Ų | 82 | 139.3 Ų | 139.3 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | | | trans | 91.8 | 140.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 407 | E | 28.4 | Very low | 36.9 | Very low | 180 Ų | 180 | 137.8 Ų | 137.8 | 84% | 0.841 | 78% | 0.776 | S | S | * | * | | | cis | 75.3 | 137.2 | 34.3 | -66.6 | 177.6 | 110.1 | 0 | 0 | 113.6 | | |
| 408 | S | 34.9 | Very low | 37 | Very low | 106 Ų | 106 | 143.3 Ų | 143.3 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | | | cis | -160.2 | 161.7 | 2.8 | 47.6 | 0 | 0 | 0 | 0 | 113 | | |
| 409 | T | 38.5 | Very low | 37.1 | Very low | 132 Ų | 132 | 147 Ų | 147 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | | | trans | -71.3 | 158.4 | 165.8 | -16.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 410 | P | 47.7 | Very low | 37.1 | Very low | 111 Ų | 111 | 138.6 Ų | 138.6 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | | | | -157 | 155.6 | 116.8 | 36.5 | -17.1 | 0 | 0 | 0 | 119.4 | | |
| 411 | V | 31.8 | Very low | 37.3 | Very low | 129 Ų | 129 | 139 Ų | 139 | 78% | 0.782 | 78% | 0.776 | S | S | * | * | | | trans | 56.6 | 114.2 | 140.1 | 175.7 | 0 | 0 | 0 | 0 | 120.4 | | |
| 412 | Q | 37.9 | Very low | 37.3 | Very low | 170 Ų | 170 | 139.3 Ų | 139.3 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | | | | 68.3 | 147.2 | 83 | -105.7 | -161 | 15.3 | 0 | 0 | 116.4 | | |
| 413 | P | 51.2 | Low | 36.8 | Very low | 115 Ų | 115 | 137.7 Ų | 137.7 | 75% | 0.747 | 78% | 0.78 | S | S | * | * | | | cis | -144.8 | -158.9 | 44.8 | 42.7 | -20.5 | 0 | 0 | 0 | 117.9 | | |
| 414 | T | 33.8 | Very low | 36.9 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | | | trans | -85.8 | -175.5 | -175.9 | 57.5 | 0 | 0 | 0 | 0 | 114.9 | | |
| 415 | P | 46.6 | Very low | 37.1 | Very low | 116 Ų | 116 | 131.9 Ų | 131.9 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | | | cis | -137.2 | -121.3 | 14.8 | 30.1 | 0.1 | 0 | 0 | 0 | 118.4 | | |
| 416 | P | 49.9 | Very low | 37.2 | Very low | 104 Ų | 104 | 125.2 Ų | 125.2 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | | | | -137.6 | -179.6 | -106.8 | 45.8 | -28.2 | 0 | 0 | 0 | 121 | | |
| 417 | K | 32.5 | Very low | 37.1 | Very low | 174 Ų | 174 | 127.1 Ų | 127.1 | 76% | 0.757 | 79% | 0.785 | S | S | * | * | | | trans | 89.8 | 118.4 | 153.5 | -71 | 175.7 | 179.4 | 172 | 0 | 122.3 | | |
| 418 | R | 32.8 | Very low | 37.5 | Very low | 216 Ų | 216 | 125.4 Ų | 125.4 | 82% | 0.815 | 79% | 0.787 | S | S | * | * | | | trans | 42.2 | 133.9 | 133.4 | -47.8 | -179.2 | -173 | 162.2 | -0.8 | 119.3 | | |
| 419 | N | 33.6 | Very low | 37.5 | Very low | 163 Ų | 163 | 130.7 Ų | 130.7 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | | | cis | -136.6 | -172.8 | 28.3 | -64.6 | -54.1 | 0 | 0 | 0 | 111.2 | | |
| 420 | G | 32.1 | Very low | 37.6 | Very low | 68 Ų | 68 | 131 Ų | 131 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | | | cis | 139.5 | 132.5 | -13.1 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 421 | S | 35.8 | Very low | 37.2 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | | | trans | 69.7 | 145.9 | -176.4 | -117.7 | 0 | 0 | 0 | 0 | 116.1 | | |
| 422 | V | 38.1 | Very low | 37.3 | Very low | 135 Ų | 135 | 133.1 Ų | 133.1 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | cis | -137.1 | 134.9 | 9.3 | 179.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 423 | G | 33.7 | Very low | 37.1 | Very low | 75 Ų | 75 | 127.9 Ų | 127.9 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | | | trans | 66.3 | 163.8 | 153.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 424 | A | 37.1 | Very low | 36.4 | Very low | 91 Ų | 91 | 129.7 Ų | 129.7 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | | | cis | -159.9 | 149.9 | -26.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 425 | T | 36.8 | Very low | 36.5 | Very low | 139 Ų | 139 | 133 Ų | 133 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | | | trans | 21.7 | 128.3 | 161.5 | 53.4 | 0 | 0 | 0 | 0 | 120.5 | | |
| 426 | G | 35.6 | Very low | 35.8 | Very low | 80 Ų | 80 | 133.9 Ų | 133.9 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | | | cis | 111.8 | 111.5 | 9.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 427 | S | 31.2 | Very low | 35.2 | Very low | 123 Ų | 123 | 140.3 Ų | 140.3 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | | | trans | -144.7 | 134 | 174.6 | -178.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 428 | V | 36 | Very low | 35.1 | Very low | 144 Ų | 144 | 137.5 Ų | 137.5 | 87% | 0.873 | 80% | 0.803 | S | S | * | * | | | trans | -138.8 | 157.4 | -171.4 | 179.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 429 | R | 34.9 | Very low | 35.5 | Very low | 217 Ų | 217 | 136.8 Ų | 136.8 | 82% | 0.819 | 81% | 0.806 | S | S | * | * | | | trans | -124.7 | 173.6 | -162.2 | -171.3 | -174 | -177.4 | 169.8 | 2.9 | 110.7 | | |
| 430 | L | 39.7 | Very low | 36.4 | Very low | 138 Ų | 138 | 135 Ų | 135 | 72% | 0.723 | 80% | 0.803 | S | S | * | * | | | trans | 83.2 | 165.2 | 164.5 | -52.4 | 174.2 | 0 | 0 | 0 | 116.2 | | |
| 431 | Q | 40.2 | Very low | 36.3 | Very low | 171 Ų | 171 | 135.7 Ų | 135.7 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | | | cis | -175.1 | 153.5 | -49.8 | -137.7 | -179.8 | 13.9 | 0 | 0 | 108.5 | | |
| 432 | S | 33.3 | Very low | 36.2 | Very low | 113 Ų | 113 | 133.5 Ų | 133.5 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | | | trans | 67.1 | 153.1 | 167.9 | -165.8 | 0 | 0 | 0 | 0 | 117.1 | | |
| 433 | G | 33.8 | Very low | 36 | Very low | 60 Ų | 60 | 135.4 Ų | 135.4 | 62% | 0.619 | 81% | 0.812 | S | S | * | * | | | cis | 163.1 | 158.2 | -13.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 434 | M | 36.1 | Very low | 35.9 | Very low | 154 Ų | 154 | 137.7 Ų | 137.7 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | | | trans | 75.7 | 137.5 | 156.3 | 90.6 | -178.4 | 79.3 | 0 | 0 | 125 | | |
| 435 | K | 36 | Very low | 36.2 | Very low | 189 Ų | 189 | 142 Ų | 142 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | | | trans | 70.9 | 153.3 | 155.8 | -73.4 | 174.2 | 177.6 | 171.1 | 0 | 118.1 | | |
| 436 | T | 33.8 | Very low | 36.6 | Very low | 135 Ų | 135 | 141.1 Ų | 141.1 | 83% | 0.828 | 81% | 0.811 | S | S | * | * | | | cis | -134.9 | -170.3 | 11.9 | 31.2 | 0 | 0 | 0 | 0 | 114.6 | | |
| 437 | R | 36 | Very low | 36.7 | Very low | 239 Ų | 239 | 143.2 Ų | 143.2 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | | | trans | -62.9 | 171.1 | 175.3 | -58.4 | -179 | 171.5 | -148.6 | -1.3 | 113 | | |
| 438 | S | 31.4 | Very low | 37.3 | Very low | 115 Ų | 115 | 142.8 Ų | 142.8 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | | | cis | -164.9 | 173.1 | 34.7 | 59 | 0 | 0 | 0 | 0 | 116.1 | | |
| 439 | K | 40.6 | Very low | 37.1 | Very low | 201 Ų | 201 | 142.2 Ų | 142.2 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | | | trans | -114.3 | 173.7 | 164.5 | -73.3 | -173.9 | 176.6 | -176.7 | 0 | 108 | | |
| 440 | P | 52.1 | Low | 37.1 | Very low | 126 Ų | 126 | 140.7 Ų | 140.7 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | cis | -142.7 | -177.9 | 14.6 | 44.3 | -25.5 | 0 | 0 | 0 | 117.7 | | |
| 441 | G | 30.6 | Very low | 37 | Very low | 82 Ų | 82 | 137.7 Ų | 137.7 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | | | trans | 80.4 | 163.3 | 162.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 442 | G | 32.9 | Very low | 36.6 | Very low | 77 Ų | 77 | 136.6 Ų | 136.6 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | | | cis | 160.1 | 122 | -13.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 443 | L | 34.1 | Very low | 36.8 | Very low | 175 Ų | 175 | 140.6 Ų | 140.6 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | | | trans | 77.5 | 155.6 | 163.9 | -148.9 | 73.4 | 0 | 0 | 0 | 119.2 | | |
| 444 | V | 32.3 | Very low | 36.8 | Very low | 122 Ų | 122 | 141 Ų | 141 | 74% | 0.739 | 80% | 0.801 | S | S | * | * | | | trans | 81.6 | 118.7 | 162.8 | -170 | 0 | 0 | 0 | 0 | 119.2 | | |
| 445 | H | 43 | Very low | 36.7 | Very low | 182 Ų | 182 | 140.4 Ų | 140.4 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | | | trans | -86.9 | 155.3 | 157.1 | -84.7 | -90.2 | 0 | 0 | 0 | 110.4 | | |
| 446 | P | 44.3 | Very low | 36.7 | Very low | 121 Ų | 121 | 140.2 Ų | 140.2 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | | | | -144 | 155.8 | 107.3 | 37.9 | -24.9 | 0 | 0 | 0 | 115.8 | | |
| 447 | T | 38 | Very low | 36.8 | Very low | 123 Ų | 123 | 138 Ų | 138 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | | | trans | -77.9 | 164.1 | 163.2 | -21.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 448 | P | 45.1 | Very low | 36.7 | Very low | 115 Ų | 115 | 136 Ų | 136 | 75% | 0.747 | 80% | 0.803 | S | S | * | * | | | | -152.7 | 155.7 | 98.1 | 38.2 | -20.2 | 0 | 0 | 0 | 118.3 | | |
| 449 | N | 31.5 | Very low | 36.9 | Very low | 132 Ų | 132 | 133.8 Ų | 133.8 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | | | trans | 15.9 | 128.8 | 150.1 | -63 | -4.4 | 0 | 0 | 0 | 122.3 | | |
| 450 | M | 35.1 | Very low | 36.6 | Very low | 184 Ų | 184 | 130.7 Ų | 130.7 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | | | | -135.9 | 137.1 | 85.5 | -66.2 | -60.5 | 178.8 | 0 | 0 | 107.8 | | |
| 451 | A | 35.8 | Very low | 36.2 | Very low | 76 Ų | 76 | 129.3 Ų | 129.3 | 63% | 0.628 | 79% | 0.79 | S | S | * | * | | | cis | 94.1 | 93.2 | 27.5 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 452 | D | 33 | Very low | 36.5 | Very low | 147 Ų | 147 | 134.8 Ų | 134.8 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | | | trans | -152.3 | 175.5 | 135.8 | -139.6 | -33 | 0 | 0 | 0 | 111.6 | | |
| 453 | K | 37.8 | Very low | 36.9 | Very low | 197 Ų | 197 | 137.3 Ų | 137.3 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | | | trans | -82.7 | 158.5 | -160.2 | -59.3 | 147 | -168.6 | 165.8 | 0 | 114.4 | | |
| 454 | G | 32.7 | Very low | 37.1 | Very low | 68 Ų | 68 | 135.7 Ų | 135.7 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | | | cis | 162.4 | -170.8 | -4.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 455 | V | 35.3 | Very low | 37.4 | Very low | 143 Ų | 143 | 137.7 Ų | 137.7 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | | | trans | 79.5 | 103.7 | 174.6 | -168.9 | 0 | 0 | 0 | 0 | 117.7 | | |
| 456 | H | 36.1 | Very low | 37.2 | Very low | 184 Ų | 184 | 135.8 Ų | 135.8 | 85% | 0.852 | 78% | 0.783 | S | S | * | * | | | trans | 25.9 | 135.4 | 146.5 | -83 | -110.7 | 0 | 0 | 0 | 121.6 | | |
| 457 | A | 36.1 | Very low | 36.9 | Very low | 88 Ų | 88 | 139.2 Ų | 139.2 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | cis | -164.6 | 155.3 | -9.6 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 458 | E | 33.6 | Very low | 37 | Very low | 197 Ų | 197 | 144.2 Ų | 144.2 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | | | trans | -69.5 | 153.7 | 172.8 | -61.9 | 178.5 | 91.8 | 0 | 0 | 112.2 | | |
| 459 | G | 34.7 | Very low | 36.7 | Very low | 70 Ų | 70 | 146.8 Ų | 146.8 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | | | | 118.2 | 167.1 | 85.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 460 | V | 35.4 | Very low | 36.7 | Very low | 135 Ų | 135 | 146 Ų | 146 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | cis | -147.2 | 156.7 | 10.9 | -167.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 461 | S | 43.4 | Very low | 36.9 | Very low | 97 Ų | 97 | 144.4 Ų | 144.4 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | | | trans | -77.5 | 153.2 | 170.1 | 60.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 462 | K | 35.6 | Very low | 36.7 | Very low | 198 Ų | 198 | 146.2 Ų | 146.2 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | | | trans | -177.4 | 147.8 | 134.8 | -98.7 | 147.1 | -165.5 | 167.9 | 0 | 115.7 | | |
| 463 | V | 42.6 | Very low | 36.6 | Very low | 130 Ų | 130 | 144 Ų | 144 | 79% | 0.788 | 81% | 0.807 | S | S | * | * | | | trans | -61.1 | 143.7 | 172.8 | 170 | 0 | 0 | 0 | 0 | 112.9 | | |
| 464 | M | 36.9 | Very low | 36.6 | Very low | 141 Ų | 141 | 140.3 Ų | 140.3 | 70% | 0.695 | 80% | 0.8 | S | S | * | * | | | trans | -174.3 | 127.5 | 141.6 | -99.5 | -81.7 | 101.6 | 0 | 0 | 113.7 | | |
| 465 | K | 40.5 | Very low | 36.8 | Very low | 163 Ų | 163 | 143.2 Ų | 143.2 | 71% | 0.709 | 81% | 0.805 | S | S | * | * | | | trans | 52.9 | 118.3 | 150.1 | -66.9 | 163.3 | 179 | 153.3 | 0 | 120.6 | K467 | K465-K467 PolarHBondContact O-N 2.74Å; K465-K467 VanDerWaalsContact O-N 3.17Å |
| 466 | P | 38.2 | Very low | 37 | Very low | 143 Ų | 143 | 141.4 Ų | 141.4 | 93% | 0.929 | 80% | 0.798 | S | S | * | * | | | trans | -72.5 | 105.4 | 157 | 30.7 | -31.6 | 0 | 0 | 0 | 110.1 | | |
| 467 | K | 38.4 | Very low | 37.2 | Very low | 192 Ų | 192 | 140.5 Ų | 140.5 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | | | trans | -91.8 | 134.7 | 173.3 | -173.4 | 175.5 | 177.5 | -177.4 | 0 | 109.5 | K465 L469 | K465-K467 PolarHBondContact O-N 2.74Å; K465-K467 VanDerWaalsContact O-N 3.17Å; K467-L469 PolarHBondContact O-N 3.36Å |
| 468 | R | 40.4 | Very low | 38 | Very low | 229 Ų | 229 | 141.2 Ų | 141.2 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | | | trans | -47.6 | 131.5 | 171.8 | -84.8 | 178.9 | 165.5 | 175.7 | -5.9 | 111.2 | | |
| 469 | L | 38.4 | Very low | 38.1 | Very low | 169 Ų | 169 | 141 Ų | 141 | 89% | 0.885 | 80% | 0.795 | S | S | * | * | | | trans | -130.7 | 129.9 | 147.5 | -73.3 | 178.2 | 0 | 0 | 0 | 108.4 | K467 | K467-L469 PolarHBondContact O-N 3.36Š|
| 470 | S | 31.1 | Very low | 38.2 | Very low | 114 Ų | 114 | 146.7 Ų | 146.7 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | | | trans | -98.8 | 129.9 | 168.2 | -61.6 | 0 | 0 | 0 | 0 | 107.7 | | |
| 471 | T | 38.8 | Very low | 38.1 | Very low | 151 Ų | 151 | 148.2 Ų | 148.2 | 93% | 0.926 | 80% | 0.802 | S | S | * | * | | | trans | -89 | 114.5 | 168.6 | 36.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 472 | S | 31.6 | Very low | 37.7 | Very low | 115 Ų | 115 | 148.9 Ų | 148.9 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | | | trans | -89.4 | 142.2 | 170.7 | 53.3 | 0 | 0 | 0 | 0 | 111 | | |
| 473 | S | 31.1 | Very low | 37.8 | Very low | 101 Ų | 101 | 144 Ų | 144 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | | | trans | -157.4 | 135 | 132 | -154.2 | 0 | 0 | 0 | 0 | 112 | | |
| 474 | T | 38.6 | Very low | 37.4 | Very low | 118 Ų | 118 | 141.7 Ų | 141.7 | 72% | 0.724 | 81% | 0.806 | S | S | * | * | | | trans | 25.5 | 131.5 | 144.4 | 57.5 | 0 | 0 | 0 | 0 | 119.3 | | |
| 475 | V | 37 | Very low | 37.2 | Very low | 130 Ų | 130 | 140 Ų | 140 | 79% | 0.788 | 81% | 0.808 | S | S | * | * | | | | -153.3 | 140.4 | 67.9 | 153.4 | 0 | 0 | 0 | 0 | 113.9 | | |
| 476 | S | 39.1 | Very low | 37 | Very low | 104 Ų | 104 | 140.1 Ų | 140.1 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | | | trans | 33.9 | 101.6 | 154 | -53.8 | 0 | 0 | 0 | 0 | 124.1 | | |
| 477 | L | 39.9 | Very low | 37 | Very low | 165 Ų | 165 | 139 Ų | 139 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | | | | 37.1 | 153.4 | 99.8 | -126.9 | 70.2 | 0 | 0 | 0 | 120.6 | | |
| 478 | P | 53.2 | Low | 37.9 | Very low | 103 Ų | 103 | 135.3 Ų | 135.3 | 67% | 0.669 | 80% | 0.802 | S | S | * | * | | | | -138.1 | 179.5 | -58.1 | 42.7 | -29.2 | 0 | 0 | 0 | 114.6 | | |
| 479 | Q | 34.4 | Very low | 37.5 | Very low | 193 Ų | 193 | 129.2 Ų | 129.2 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | | | | -160.3 | 170.6 | 125.3 | -111.9 | 179.3 | 18.8 | 0 | 0 | 114.2 | | |
| 480 | K | 36.7 | Very low | 37.4 | Very low | 189 Ų | 189 | 127.9 Ų | 127.9 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | | | trans | -76.8 | 145.4 | -166.4 | -75.8 | 179.4 | 177.8 | 177.6 | 0 | 113.1 | | |
| 481 | L | 35.1 | Very low | 37.5 | Very low | 167 Ų | 167 | 125 Ų | 125 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | | | | 72.9 | 106 | 54.2 | -76.7 | 176.6 | 0 | 0 | 0 | 116.2 | | |
| 482 | S | 35 | Very low | 37.3 | Very low | 111 Ų | 111 | 124 Ų | 124 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | | | trans | -165.4 | 120.5 | 140.4 | -142.3 | 0 | 0 | 0 | 0 | 106.6 | | |
| 483 | A | 37 | Very low | 37.6 | Very low | 97 Ų | 97 | 123.8 Ų | 123.8 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | | | | 57.6 | 127.2 | 76.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 484 | G | 33.3 | Very low | 38.3 | Very low | 80 Ų | 80 | 128.5 Ų | 128.5 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | cis | -165.2 | -167.4 | 4.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 485 | S | 33.6 | Very low | 38.7 | Very low | 107 Ų | 107 | 128.6 Ų | 128.6 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | | | trans | -68.3 | 152.1 | -172.2 | 53.9 | 0 | 0 | 0 | 0 | 115.7 | | |
| 486 | L | 35.4 | Very low | 38.5 | Very low | 164 Ų | 164 | 130.7 Ų | 130.7 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | | | | -176.5 | 157.6 | 108.8 | -96.6 | 161.2 | 0 | 0 | 0 | 113.4 | | |
| 487 | T | 39 | Very low | 38.7 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | | | trans | -117.8 | -177 | 165.5 | 64.6 | 0 | 0 | 0 | 0 | 107.4 | | |
| 488 | P | 57.3 | Low | 38.8 | Very low | 114 Ų | 114 | 133.8 Ų | 133.8 | 74% | 0.74 | 80% | 0.799 | S | S | * | * | | | cis | -135 | -159.2 | -4.9 | 37.3 | -15.8 | 0 | 0 | 0 | 113.4 | | |
| 489 | S | 32.7 | Very low | 38.2 | Very low | 100 Ų | 100 | 133.1 Ų | 133.1 | 70% | 0.699 | 80% | 0.803 | S | S | * | * | | | trans | 103.1 | 131.7 | 139.1 | -146.4 | 0 | 0 | 0 | 0 | 120.4 | | |
| 490 | V | 35.4 | Very low | 38.5 | Very low | 142 Ų | 142 | 128.1 Ų | 128.1 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | | | trans | 47.4 | 137.3 | 148.2 | 174.1 | 0 | 0 | 0 | 0 | 119.8 | | |
| 491 | G | 32.8 | Very low | 38.8 | Very low | 54 Ų | 54 | 130.8 Ų | 130.8 | 56% | 0.557 | 80% | 0.799 | S | S | * | * | | | cis | 152.5 | 148.2 | -4.1 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 492 | S | 34.5 | Very low | 39.5 | Very low | 128 Ų | 128 | 134 Ų | 134 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | | | trans | 64.4 | 145.5 | -172.2 | 81.3 | 0 | 0 | 0 | 0 | 114 | | |
| 493 | S | 38 | Very low | 40.3 | Very low | 111 Ų | 111 | 134.7 Ų | 134.7 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | | | cis | -160.1 | -179.8 | 48.9 | 54.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 494 | K | 45.8 | Very low | 40.3 | Very low | 201 Ų | 201 | 135.5 Ų | 135.5 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | | | trans | -120.3 | 143.5 | 171.6 | -65.8 | 177.4 | -179.4 | 174.4 | 0 | 109.5 | | |
| 495 | P | 47 | Very low | 40.6 | Very low | 119 Ų | 119 | 136.1 Ų | 136.1 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | | | | -133.2 | 136.9 | 109.5 | 9.2 | 13 | 0 | 0 | 0 | 111.5 | | |
| 496 | Q | 33.6 | Very low | 41.3 | Very low | 175 Ų | 175 | 138.7 Ų | 138.7 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | | 88.2 | 99.3 | 72.3 | -171.2 | 169.7 | -28.8 | 0 | 0 | 114.5 | | |
| 497 | Q | 43.3 | Very low | 42.2 | Very low | 179 Ų | 179 | 136.7 Ų | 136.7 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | | | trans | 25.5 | 121.3 | 152.4 | -61.6 | -177.6 | -6.3 | 0 | 0 | 121.2 | | |
| 498 | V | 42.5 | Very low | 42.6 | Very low | 154 Ų | 154 | 136.7 Ų | 136.7 | 93% | 0.933 | 80% | 0.8 | S | S | * | * | | | trans | -130 | 157.4 | 135.5 | -172.1 | 0 | 0 | 0 | 0 | 107.8 | | |
| 499 | A | 40.5 | Very low | 42 | Very low | 90 Ų | 90 | 137.3 Ų | 137.3 | 74% | 0.744 | 80% | 0.804 | S | S | * | * | | | trans | -106.6 | 164.8 | -157.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 500 | A | 40.2 | Very low | 42.4 | Very low | 88 Ų | 88 | 138.8 Ų | 138.8 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | | | trans | 58.6 | 109.8 | 150 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 501 | R | 41.9 | Very low | 42.6 | Very low | 245 Ų | 245 | 141.6 Ų | 141.6 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | | | | -175.7 | 142.5 | 99.8 | -94.1 | 161.2 | -169 | -120.6 | 2 | 111.5 | | |
| 502 | R | 50 | Low | 43 | Very low | 235 Ų | 235 | 150.7 Ų | 150.7 | 89% | 0.887 | 83% | 0.827 | S | S | * | * | | | trans | -81.4 | 150.2 | 154 | -70.9 | -179.2 | 173.8 | 170.1 | -2.7 | 107.5 | | |
| 503 | P | 52.8 | Low | 43.5 | Very low | 124 Ų | 124 | 156.2 Ų | 156.2 | 81% | 0.805 | 83% | 0.828 | S | S | * | * | | | | -133 | 139.9 | 93 | 36.2 | -27.3 | 0 | 0 | 0 | 113.6 | | |
| 504 | S | 37.3 | Very low | 43.7 | Very low | 114 Ų | 114 | 157.5 Ų | 157.5 | 80% | 0.797 | 83% | 0.831 | S | S | * | * | | | trans | -82.9 | 118.7 | 161.4 | 49.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 505 | A | 39.3 | Very low | 43.1 | Very low | 94 Ų | 94 | 152.7 Ų | 152.7 | 78% | 0.777 | 82% | 0.823 | S | S | * | * | | | trans | -120 | 119.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 506 | L | 48.7 | Very low | 42.6 | Very low | 161 Ų | 161 | 152.8 Ų | 152.8 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | | | trans | -80.8 | 142.1 | 174.1 | -71 | 163.5 | 0 | 0 | 0 | 109.6 | T508 | L506-T508 PolarHBondContact O-N 3.29Š|
| 507 | P | 54.6 | Low | 42.8 | Very low | 122 Ų | 122 | 154 Ų | 154 | 79% | 0.792 | 82% | 0.824 | S | S | * | * | | | trans | -71.4 | 114 | 177.3 | 28.6 | -33.3 | 0 | 0 | 0 | 111 | | |
| 508 | T | 46 | Very low | 42.3 | Very low | 120 Ų | 120 | 154.6 Ų | 154.6 | 74% | 0.736 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 130.8 | 169.3 | 48.4 | 0 | 0 | 0 | 0 | 110.6 | L506 V510 | L506-T508 PolarHBondContact O-N 3.29Å; T508-V510 PolarHBondContact O-N 2.89Å |
| 509 | P | 45.1 | Very low | 42.6 | Very low | 128 Ų | 128 | 152.9 Ų | 152.9 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 125.6 | 177.9 | 27 | -33.6 | 0 | 0 | 0 | 111.4 | | |
| 510 | V | 41.8 | Very low | 42.1 | Very low | 131 Ų | 131 | 160.1 Ų | 160.1 | 79% | 0.794 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 122.9 | -177.7 | 176.1 | 0 | 0 | 0 | 0 | 110.7 | T508 R512 | T508-V510 PolarHBondContact O-N 2.89Å; V510-R512 PolarHBondContact O-N 3.24Å |
| 511 | K | 39.2 | Very low | 41.7 | Very low | 201 Ų | 201 | 159.9 Ų | 159.9 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 119.7 | 168.9 | -62.2 | -177.2 | -179.9 | -178.2 | 0 | 109.5 | | |
| 512 | R | 41.7 | Very low | 41.2 | Very low | 244 Ų | 244 | 154.6 Ų | 154.6 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 130.6 | 165.7 | -79.6 | -172.7 | 168 | -169.9 | -4.1 | 110 | V510 | V510-R512 PolarHBondContact O-N 3.24Š|
| 513 | R | 45.4 | Very low | 40.5 | Very low | 245 Ų | 245 | 151.8 Ų | 151.8 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | | | trans | -143.1 | 104 | 177.4 | -140 | -170.9 | -173.9 | -161.9 | 0.9 | 108.8 | | |
| 514 | T | 41.2 | Very low | 39.5 | Very low | 138 Ų | 138 | 153.9 Ų | 153.9 | 85% | 0.847 | 81% | 0.812 | S | S | * | * | | | trans | -160.2 | 142.8 | 174 | 42.7 | 0 | 0 | 0 | 0 | 106.9 | | |
| 515 | S | 33.6 | Very low | 39.2 | Very low | 99 Ų | 99 | 158.9 Ų | 158.9 | 69% | 0.692 | 81% | 0.813 | S | S | * | * | | | cis | -142.7 | 159.9 | 1.4 | -164.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 516 | T | 35.9 | Very low | 38.8 | Very low | 122 Ų | 122 | 159.9 Ų | 159.9 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | | | trans | -111.2 | 133.8 | 173.8 | 45.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 517 | F | 37.4 | Very low | 38 | Very low | 200 Ų | 200 | 160.2 Ų | 160.2 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | | | trans | -139.3 | 157.8 | 154.4 | -75.1 | -67.5 | 0 | 0 | 0 | 109.5 | | |
| 518 | Q | 34.2 | Very low | 36.9 | Very low | 192 Ų | 192 | 165.1 Ų | 165.1 | 90% | 0.897 | 81% | 0.814 | S | S | * | * | | | trans | -135.9 | 168.1 | -166.3 | -100.2 | -162.2 | -27.6 | 0 | 0 | 112.9 | | |
| 519 | P | 48.8 | Very low | 36.9 | Very low | 117 Ų | 117 | 164.4 Ų | 164.4 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | | | trans | -107.4 | 170.1 | -148.5 | 41.1 | -38.8 | 0 | 0 | 0 | 116.9 | | |
| 520 | R | 29.4 | Very low | 37.3 | Very low | 242 Ų | 242 | 163 Ų | 163 | 91% | 0.913 | 80% | 0.802 | S | S | * | * | | | trans | -170.4 | 157.8 | 162 | -106 | -177.2 | -179.6 | -165.8 | -1.4 | 107.8 | | |
| 521 | S | 32.6 | Very low | 36.9 | Very low | 84 Ų | 84 | 166.8 Ų | 166.8 | 59% | 0.587 | 81% | 0.808 | S | S | * | * | | | cis | -161.4 | 163.2 | -12.9 | -144 | 0 | 0 | 0 | 0 | 110.3 | | |
| 522 | D | 31.1 | Very low | 36.6 | Very low | 134 Ų | 134 | 166.2 Ų | 166.2 | 72% | 0.717 | 80% | 0.801 | S | S | * | * | | | trans | 59.9 | 121 | 150.1 | -59.3 | -54.9 | 0 | 0 | 0 | 124.2 | | |
| 523 | Q | 34.7 | Very low | 36.8 | Very low | 175 Ų | 175 | 160.1 Ų | 160.1 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | -10.6 | 141.2 | 142.8 | -48.9 | 172.8 | 25 | 0 | 0 | 118.4 | | |
| 524 | N | 31.8 | Very low | 36 | Very low | 169 Ų | 169 | 153.2 Ų | 153.2 | 90% | 0.904 | 77% | 0.774 | S | S | * | * | | | trans | -149.6 | 174.4 | 131.7 | -132.1 | -50.5 | 0 | 0 | 0 | 113.4 | | |
| 525 | R | 31.8 | Very low | 35.6 | Very low | 219 Ų | 219 | 152.3 Ų | 152.3 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | | | trans | -138.4 | 149.1 | -153 | -169.5 | -163.3 | -176.1 | -177.2 | 1.5 | 112.2 | | |
| 526 | T | 30.6 | Very low | 35.5 | Very low | 114 Ų | 114 | 153.1 Ų | 153.1 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | | | trans | 74.4 | 125.2 | 162.2 | -6.2 | 0 | 0 | 0 | 0 | 117.5 | | |
| 527 | L | 31.5 | Very low | 35.6 | Very low | 168 Ų | 168 | 154.9 Ų | 154.9 | 88% | 0.88 | 78% | 0.782 | S | S | * | * | | | | -176.5 | 160.1 | 104.1 | -93.2 | 171.4 | 0 | 0 | 0 | 112.6 | | |
| 528 | R | 30.9 | Very low | 36.1 | Very low | 226 Ų | 226 | 150.4 Ų | 150.4 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | | | trans | -172.9 | 168.5 | -175 | -151.2 | -143.7 | -169.2 | 177.2 | 5.3 | 106.9 | | |
| 529 | P | 47.2 | Very low | 35.9 | Very low | 105 Ų | 105 | 147 Ų | 147 | 68% | 0.682 | 77% | 0.769 | S | S | * | * | | | cis | -103.5 | -133.2 | -40.5 | 41.3 | -25.5 | 0 | 0 | 0 | 107.3 | | |
| 530 | P | 53.5 | Low | 35 | Very low | 97 Ų | 97 | 147.7 Ų | 147.7 | 63% | 0.63 | 77% | 0.772 | S | S | * | * | | | cis | -125.7 | -176.7 | -34.1 | 39.2 | -24.2 | 0 | 0 | 0 | 113.1 | | |
| 531 | F | 31.8 | Very low | 36 | Very low | 211 Ų | 211 | 141.8 Ų | 141.8 | 93% | 0.925 | 77% | 0.765 | S | S | * | * | | | | -160.5 | 152.7 | 127.7 | -97.9 | -62.1 | 0 | 0 | 0 | 112 | | |
| 532 | R | 34 | Very low | 35.8 | Very low | 190 Ų | 190 | 143.2 Ų | 143.2 | 72% | 0.717 | 78% | 0.775 | S | S | * | * | | | trans | -154.3 | 138.1 | 175.2 | -152.4 | -174.6 | -162.3 | -123.1 | 5.4 | 106.9 | D534 | R532-D534 VanDerWaalsContact CD-OD2 3.32Å; R532-D534 WeakPolarHBondContact CD-OD2 3.48Å; R532-D534 IonicContact CZ-OD1 3.5Å; R532-D534 IonicContact CZ-OD2 3.6Å; R532-D534 IonicContact NE-OD2 3.71Å; R532-D534 IonicContact NH1-OD1 2.68Å; R532-D534 PolarHBondContact NH1-OD1 3.15Å; R532-D534 IonicContact NH1-OD2 2.78Å; R532-D534 PolarHBondContact NH1-OD2 2.77Å |
| 533 | P | 45 | Very low | 35.8 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | | | | -136.2 | 166.2 | 103.1 | 33.4 | -18.5 | 0 | 0 | 0 | 111.4 | | |
| 534 | D | 29.1 | Very low | 35.8 | Very low | 99 Ų | 99 | 137.6 Ų | 137.6 | 53% | 0.529 | 77% | 0.771 | S | S | . | * | | | cis | 83.7 | 142.5 | 28.1 | -67 | -57.2 | 0 | 0 | 0 | 116.3 | R532 | R532-D534 VanDerWaalsContact CD-OD2 3.32Å; R532-D534 WeakPolarHBondContact CD-OD2 3.48Å; R532-D534 IonicContact CZ-OD1 3.5Å; R532-D534 IonicContact CZ-OD2 3.6Å; R532-D534 IonicContact NE-OD2 3.71Å; R532-D534 IonicContact NH1-OD1 2.68Å; R532-D534 PolarHBondContact NH1-OD1 3.15Å; R532-D534 IonicContact NH1-OD2 2.78Å; R532-D534 PolarHBondContact NH1-OD2 2.77Å |
| 535 | S | 33.3 | Very low | 35.8 | Very low | 119 Ų | 119 | 136.6 Ų | 136.6 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | | | trans | 76.3 | 144 | -173.1 | 74.4 | 0 | 0 | 0 | 0 | 116.7 | | |
| 536 | S | 31.1 | Very low | 36 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | | | cis | -160.2 | 163.6 | -9.3 | 39.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 537 | I | 37.7 | Very low | 36 | Very low | 158 Ų | 158 | 137.9 Ų | 137.9 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | | | trans | -85.3 | 172.8 | 176.2 | -58.8 | 150.4 | 0 | 0 | 0 | 110.1 | | |
| 538 | P | 47.6 | Very low | 36 | Very low | 106 Ų | 106 | 138.9 Ų | 138.9 | 69% | 0.688 | 76% | 0.757 | S | S | * | * | | | cis | -125.5 | 179.7 | -19.9 | 28.3 | -7.3 | 0 | 0 | 0 | 114.9 | | |
| 539 | C | 29.6 | Very low | 36.2 | Very low | 120 Ų | 120 | 137.9 Ų | 137.9 | 81% | 0.811 | 75% | 0.753 | S | S | * | * | | | | 170.7 | 159.5 | 113.7 | -96 | 0 | 0 | 0 | 0 | 115.9 | | |
| 540 | T | 31.5 | Very low | 35.3 | Very low | 132 Ų | 132 | 138.2 Ų | 138.2 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | | | trans | -113.5 | -168 | 174 | 56.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 541 | P | 50.6 | Low | 34.3 | Very low | 118 Ų | 118 | 138.7 Ų | 138.7 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | | | cis | -144.3 | -159.8 | 6.1 | 45.5 | -24.5 | 0 | 0 | 0 | 116.8 | | |
| 542 | S | 28.5 | Very low | 35.4 | Very low | 115 Ų | 115 | 134.1 Ų | 134.1 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | | | trans | 86 | 148.4 | 166.5 | -126.3 | 0 | 0 | 0 | 0 | 116.9 | | |
| 543 | S | 30.6 | Very low | 35.3 | Very low | 103 Ų | 103 | 130.5 Ų | 130.5 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | | | cis | -154.8 | 160.6 | 9 | -167.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 544 | A | 34.8 | Very low | 36 | Very low | 88 Ų | 88 | 130.3 Ų | 130.3 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | | | trans | 60.5 | 150.5 | 159.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 545 | E | 31.6 | Very low | 36.2 | Very low | 147 Ų | 147 | 135.7 Ų | 135.7 | 69% | 0.687 | 77% | 0.77 | S | S | * | * | | | cis | -151 | 134.5 | -13.9 | -113.2 | -168.5 | 139.1 | 0 | 0 | 107.2 | | |
| 546 | K | 34.8 | Very low | 36.1 | Very low | 163 Ų | 163 | 133.1 Ų | 133.1 | 71% | 0.709 | 76% | 0.763 | S | S | * | * | | | | 65.3 | 133.9 | 86.9 | 175.3 | -159.3 | 177.2 | -174.3 | 0 | 114.2 | | |
| 547 | R | 32.2 | Very low | 36.3 | Very low | 197 Ų | 197 | 137.3 Ų | 137.3 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | | | cis | -172.2 | 141.5 | -9.3 | -108.4 | -174.3 | -176.4 | -170.5 | 2.5 | 109.8 | | |
| 548 | Q | 31 | Very low | 36 | Very low | 190 Ų | 190 | 137.1 Ų | 137.1 | 89% | 0.888 | 76% | 0.762 | S | S | * | * | | | trans | 176.6 | 127.6 | 138.1 | -99.2 | 155.7 | -21.5 | 0 | 0 | 107.4 | | |
| 549 | R | 33.8 | Very low | 35.3 | Very low | 204 Ų | 204 | 139.3 Ų | 139.3 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | | | cis | 67.5 | 124.2 | 50 | -71.2 | -160.1 | 168.7 | -160 | -3.5 | 112.9 | | |
| 550 | C | 28.5 | Very low | 35.7 | Very low | 112 Ų | 112 | 142.4 Ų | 142.4 | 76% | 0.757 | 77% | 0.765 | S | S | * | * | | | cis | -154.4 | 164.4 | 6.1 | -105.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 551 | S | 32.6 | Very low | 35.8 | Very low | 108 Ų | 108 | 144.4 Ų | 144.4 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | | | trans | -108.4 | -159.9 | 159.3 | -151.5 | 0 | 0 | 0 | 0 | 107.6 | | |
| 552 | P | 55.5 | Low | 36 | Very low | 114 Ų | 114 | 143.5 Ų | 143.5 | 74% | 0.74 | 76% | 0.76 | S | S | * | * | | | cis | -112.4 | -145.6 | -20.4 | 19.8 | 6.7 | 0 | 0 | 0 | 111.1 | | |
| 553 | V | 31.5 | Very low | 36.4 | Very low | 114 Ų | 114 | 144.1 Ų | 144.1 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | | | cis | -156 | 146.1 | 20.2 | 176.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 554 | P | 60 | Low | 36.5 | Very low | 113 Ų | 113 | 148 Ų | 148 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | | | trans | -101.4 | 160.2 | 171 | 38.9 | -34.7 | 0 | 0 | 0 | 115.4 | | |
| 555 | K | 34.2 | Very low | 36.6 | Very low | 211 Ų | 211 | 148.8 Ų | 148.8 | 92% | 0.917 | 76% | 0.764 | S | S | * | * | | | trans | 176.9 | 148.6 | 158.9 | -97.6 | 151.3 | -176.4 | -179 | 0 | 109.6 | | |
| 556 | G | 29.9 | Very low | 37.5 | Very low | 65 Ų | 65 | 147.3 Ų | 147.3 | 67% | 0.67 | 77% | 0.767 | S | S | * | * | | | cis | 146 | 143 | -13.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 557 | K | 34.9 | Very low | 37.3 | Very low | 205 Ų | 205 | 146.7 Ų | 146.7 | 89% | 0.891 | 77% | 0.771 | S | S | * | * | | | trans | 72.6 | 166.9 | 176.3 | -45 | -171.7 | 172 | -164.1 | 0 | 115.2 | | |
| 558 | Q | 33 | Very low | 37.3 | Very low | 154 Ų | 154 | 143.4 Ų | 143.4 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | | | cis | -128.2 | 154.2 | 10.8 | -103.2 | 179 | -85.4 | 0 | 0 | 111 | | |
| 559 | E | 32.7 | Very low | 37.4 | Very low | 152 Ų | 152 | 141.5 Ų | 141.5 | 71% | 0.71 | 76% | 0.759 | S | S | * | * | | | | 53.4 | 142.3 | 100.3 | -68.2 | 166.9 | 159.2 | 0 | 0 | 115 | | |
| 560 | E | 36.7 | Very low | 37.8 | Very low | 185 Ų | 185 | 138.3 Ų | 138.3 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | | | cis | -151 | -175.8 | 24.8 | -144.8 | 169.4 | 161.5 | 0 | 0 | 114.8 | | |
| 561 | E | 35.2 | Very low | 37.9 | Very low | 175 Ų | 175 | 141.2 Ų | 141.2 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | | | trans | -82.8 | -174.4 | 176.5 | -101.7 | -165.6 | 83.7 | 0 | 0 | 113.1 | | |
| 562 | P | 53.3 | Low | 38.2 | Very low | 99 Ų | 99 | 145.9 Ų | 145.9 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | | | cis | -136.7 | -152.4 | -43.9 | 38.3 | -19.2 | 0 | 0 | 0 | 112.5 | | |
| 563 | V | 38.5 | Very low | 37.6 | Very low | 128 Ų | 128 | 148 Ų | 148 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | | | trans | 116.5 | 99 | 153.8 | -173.7 | 0 | 0 | 0 | 0 | 117.5 | | |
| 564 | H | 32.4 | Very low | 37.8 | Very low | 183 Ų | 183 | 151 Ų | 151 | 85% | 0.847 | 77% | 0.774 | S | S | * | * | | | trans | 54.2 | 146.5 | 137 | -134.7 | 51.5 | 0 | 0 | 0 | 123.4 | | |
| 565 | C | 35.8 | Very low | 36.8 | Very low | 105 Ų | 105 | 153.3 Ų | 153.3 | 71% | 0.709 | 78% | 0.776 | S | S | * | * | | | trans | -91.4 | -178.1 | -175.4 | -46.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 566 | P | 50.1 | Low | 37 | Very low | 116 Ų | 116 | 152.7 Ų | 152.7 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | | | cis | -142.9 | 170.3 | 7.2 | 43.7 | -25.6 | 0 | 0 | 0 | 118.9 | | |
| 567 | D | 30.9 | Very low | 37.6 | Very low | 150 Ų | 150 | 156.6 Ų | 156.6 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | | | trans | 72.8 | 163.3 | 149.3 | -156 | 21.1 | 0 | 0 | 0 | 120 | | |
| 568 | I | 33.3 | Very low | 38.1 | Very low | 128 Ų | 128 | 151.7 Ų | 151.7 | 66% | 0.656 | 77% | 0.766 | S | S | * | * | | | trans | 87.5 | 128.9 | 163.4 | -53.5 | -177 | 0 | 0 | 0 | 119.1 | | |
| 569 | Q | 33 | Very low | 39.1 | Very low | 151 Ų | 151 | 150.6 Ų | 150.6 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | | | trans | 74.2 | 126.3 | 157.5 | -82.5 | 163.6 | 8.1 | 0 | 0 | 123.2 | F571 | Q569-F571 HydrophobicContact CB-CD2 4.22Å; Q569-F571 HydrophobicContact CB-CE2 3.81Å |
| 570 | V | 42.7 | Very low | 39.3 | Very low | 137 Ų | 137 | 151.7 Ų | 151.7 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | | | trans | -63 | 141 | 155.2 | -158.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 571 | F | 30.5 | Very low | 39 | Very low | 172 Ų | 172 | 150.7 Ų | 150.7 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | | | trans | -129.9 | 136.5 | 167.8 | -90.2 | -83.4 | 0 | 0 | 0 | 112.4 | Q569 | Q569-F571 HydrophobicContact CB-CD2 4.22Å; Q569-F571 HydrophobicContact CB-CE2 3.81Å |
| 572 | Y | 37.2 | Very low | 39.1 | Very low | 207 Ų | 207 | 149.6 Ų | 149.6 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | | | trans | -82.1 | 144.2 | 170.5 | -105.1 | -124.9 | 0 | 0 | 0 | 110.5 | | |
| 573 | L | 43.3 | Very low | 38.7 | Very low | 158 Ų | 158 | 150.6 Ų | 150.6 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | | | trans | -166.2 | 141.5 | 147.7 | -132.4 | 65.2 | 0 | 0 | 0 | 106.3 | | |
| 574 | E | 35.9 | Very low | 38.3 | Very low | 176 Ų | 176 | 149.6 Ų | 149.6 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | | | cis | -142 | 161.3 | 6.8 | -159.6 | 159.5 | -174 | 0 | 0 | 109.7 | | |
| 575 | E | 39.2 | Very low | 38.1 | Very low | 162 Ų | 162 | 148.5 Ų | 148.5 | 76% | 0.757 | 78% | 0.777 | S | S | * | * | | | trans | -132.4 | 135.4 | -173.5 | 178.4 | 171.1 | -165.8 | 0 | 0 | 109.4 | | |
| 576 | E | 39.1 | Very low | 37.9 | Very low | 199 Ų | 199 | 148.4 Ų | 148.4 | 93% | 0.93 | 78% | 0.777 | S | S | * | * | | | trans | -122.4 | 111.7 | 175.1 | -165.2 | 177 | 144 | 0 | 0 | 109.8 | | |
| 577 | E | 41.5 | Very low | 37.8 | Very low | 147 Ų | 147 | 148.3 Ų | 148.3 | 69% | 0.687 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -103.2 | 142.3 | -172.3 | -171.8 | -173.8 | 178.8 | 0 | 0 | 111.4 | | |
| 578 | P | 46.2 | Very low | 37.7 | Very low | 102 Ų | 102 | 148.7 Ų | 148.7 | 66% | 0.662 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 153.2 | 179.4 | 31.3 | -36.7 | 0 | 0 | 0 | 113.9 | | |
| 579 | P | 53 | Low | 37.5 | Very low | 130 Ų | 130 | 147.2 Ų | 147.2 | 84% | 0.844 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 135.5 | -173 | 31.1 | -35.8 | 0 | 0 | 0 | 115 | | |
| 580 | F | 37.5 | Very low | 37.3 | Very low | 175 Ų | 175 | 147.9 Ų | 147.9 | 77% | 0.768 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 159.1 | 163.7 | -93.1 | -97.9 | 0 | 0 | 0 | 112.8 | | |
| 581 | I | 31.1 | Very low | 36.8 | Very low | 165 Ų | 165 | 148.9 Ų | 148.9 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | | | trans | -167.6 | 146.2 | 135.6 | -99.2 | 150.6 | 0 | 0 | 0 | 110.5 | | |
| 582 | L | 37.1 | Very low | 36.8 | Very low | 151 Ų | 151 | 145.4 Ų | 145.4 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | | | trans | -138.9 | 151 | 171.1 | -97.6 | 170.7 | 0 | 0 | 0 | 107.7 | | |
| 583 | P | 44.5 | Very low | 36.5 | Very low | 121 Ų | 121 | 143.3 Ų | 143.3 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | | | | -153.5 | 177.5 | 93.1 | 39.9 | -20.4 | 0 | 0 | 0 | 117.5 | | |
| 584 | S | 29.5 | Very low | 36 | Very low | 106 Ų | 106 | 141.1 Ų | 141.1 | 74% | 0.741 | 75% | 0.746 | S | S | * | * | | | trans | -59.6 | 157.5 | 176.7 | -179.3 | 0 | 0 | 0 | 0 | 116.8 | | |
| 585 | I | 29.4 | Very low | 35.9 | Very low | 161 Ų | 161 | 139.7 Ų | 139.7 | 83% | 0.826 | 74% | 0.741 | S | S | * | * | | | | -176.5 | 152.7 | 122.7 | -90.2 | 152 | 0 | 0 | 0 | 110.5 | | |
| 586 | S | 31.3 | Very low | 35.5 | Very low | 102 Ų | 102 | 137.4 Ų | 137.4 | 71% | 0.713 | 73% | 0.734 | S | S | * | * | | | trans | -119.1 | 148.9 | 174.4 | -179.5 | 0 | 0 | 0 | 0 | 110 | | |
| 587 | P | 46.9 | Very low | 35.4 | Very low | 114 Ų | 114 | 135.4 Ų | 135.4 | 74% | 0.74 | 73% | 0.729 | S | S | * | * | | | | -153.3 | 144.8 | 108.8 | 38 | -19.9 | 0 | 0 | 0 | 117.9 | | |
| 588 | E | 29.4 | Very low | 34.9 | Very low | 159 Ų | 159 | 132.5 Ų | 132.5 | 74% | 0.743 | 74% | 0.738 | S | S | * | * | | | trans | 52 | 155.8 | 132 | -115.5 | -165.4 | 124.6 | 0 | 0 | 126.1 | | |
| 589 | T | 30 | Very low | 34.2 | Very low | 96 Ų | 96 | 132.1 Ų | 132.1 | 59% | 0.589 | 74% | 0.744 | S | S | * | * | | | trans | 82 | 106.2 | 149.3 | 48.4 | 0 | 0 | 0 | 0 | 124.2 | | |
| 590 | K | 29 | Very low | 33.2 | Very low | 165 Ų | 165 | 131 Ų | 131 | 72% | 0.717 | 74% | 0.739 | S | S | * | * | | | | 70.4 | 118.6 | 116.3 | -70.3 | 174.1 | -173.2 | 160.9 | 0 | 122.4 | | |
| 591 | Q | 30.6 | Very low | 32.9 | Very low | 159 Ų | 159 | 128.1 Ų | 128.1 | 74% | 0.743 | 74% | 0.736 | S | S | * | * | | | | 86.8 | 157.1 | 114.8 | -171.1 | 176.2 | -10.3 | 0 | 0 | 119.9 | | |
| 592 | T | 31.6 | Very low | 33 | Very low | 99 Ų | 99 | 126.7 Ų | 126.7 | 61% | 0.607 | 74% | 0.735 | S | S | * | * | | | trans | 70.7 | 106.8 | 166.4 | 22.3 | 0 | 0 | 0 | 0 | 116 | | |
| 593 | Q | 31.5 | Very low | 32.9 | Very low | 163 Ų | 163 | 123.8 Ų | 123.8 | 76% | 0.762 | 73% | 0.727 | S | S | * | * | | | | 87.8 | 150.5 | 98.7 | -87.8 | -172.6 | -11.5 | 0 | 0 | 113 | | |
| 594 | N | 31.8 | Very low | 32.3 | Very low | 111 Ų | 111 | 126.1 Ų | 126.1 | 59% | 0.594 | 73% | 0.727 | S | S | * | * | | | cis | -158.3 | 157.2 | -3 | -131.9 | -9.6 | 0 | 0 | 0 | 110.1 | | |
| 595 | M | 33.3 | Very low | 32.4 | Very low | 147 Ų | 147 | 126.9 Ų | 126.9 | 72% | 0.724 | 73% | 0.728 | S | S | * | * | | | trans | 65 | 159.7 | 150.8 | -65.1 | 169.6 | 72.4 | 0 | 0 | 117.3 | | |
| 596 | D | 30.9 | Very low | 32.7 | Very low | 113 Ų | 113 | 125.1 Ų | 125.1 | 60% | 0.604 | 72% | 0.724 | S | S | * | * | | | cis | -150.5 | 170.8 | -4.1 | -139.2 | -10.8 | 0 | 0 | 0 | 114.7 | | |
| 597 | L | 37.3 | Very low | 33.4 | Very low | 158 Ų | 158 | 125.1 Ų | 125.1 | 83% | 0.827 | 72% | 0.722 | S | S | * | * | | | trans | 43.7 | 124.6 | 148.5 | -74.7 | 162.5 | 0 | 0 | 0 | 121.6 | | |
| 598 | G | 32 | Very low | 32.7 | Very low | 85 Ų | 85 | 126.3 Ų | 126.3 | 88% | 0.876 | 72% | 0.722 | S | S | * | * | | | trans | -179 | 36 | 166.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 599 | A | 31.4 | Very low | 32.7 | Very low | 94 Ų | 94 | 124.3 Ų | 124.3 | 78% | 0.777 | 72% | 0.721 | S | S | * | * | | | trans | -94.6 | 131.9 | -167.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 600 | S | 31.9 | Very low | 33.1 | Very low | 108 Ų | 108 | 125.4 Ų | 125.4 | 76% | 0.755 | 73% | 0.727 | S | S | * | * | | | trans | -166.7 | 107.8 | 146.7 | -164.9 | 0 | 0 | 0 | 0 | 107.5 | | |
| 601 | T | 30.3 | Very low | 33.2 | Very low | 113 Ų | 113 | 124.9 Ų | 124.9 | 69% | 0.693 | 73% | 0.727 | S | S | * | * | | | | 71.8 | 143.5 | 51.7 | 73.8 | 0 | 0 | 0 | 0 | 115.7 | | |
| 602 | V | 33.1 | Very low | 33.5 | Very low | 135 Ų | 135 | 123.4 Ų | 123.4 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | | | trans | 77.6 | 127.1 | 173.4 | -170.9 | 0 | 0 | 0 | 0 | 115.5 | | |
| 603 | S | 34.5 | Very low | 33.5 | Very low | 90 Ų | 90 | 126.2 Ų | 126.2 | 63% | 0.629 | 73% | 0.73 | S | S | * | * | | | cis | -168 | 152.4 | -21.7 | -113.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 604 | E | 32.4 | Very low | 33.6 | Very low | 170 Ų | 170 | 126.4 Ų | 126.4 | 79% | 0.794 | 73% | 0.731 | S | S | * | * | | | | 49.5 | 127.7 | 125.4 | -142.5 | 160.3 | -168 | 0 | 0 | 118.9 | | |
| 605 | T | 31.4 | Very low | 33.7 | Very low | 123 Ų | 123 | 126.8 Ų | 126.8 | 76% | 0.755 | 74% | 0.738 | S | S | * | * | | | | -164.3 | 139.6 | 67.1 | -56.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 606 | V | 36.8 | Very low | 34 | Very low | 123 Ų | 123 | 129 Ų | 129 | 75% | 0.745 | 75% | 0.746 | S | S | * | * | | | trans | -110.5 | 155.4 | 162.2 | -150.7 | 0 | 0 | 0 | 0 | 107.5 | | |
| 607 | P | 45.1 | Very low | 34.3 | Very low | 102 Ų | 102 | 131.6 Ų | 131.6 | 66% | 0.662 | 75% | 0.754 | S | S | * | * | | | | -152.4 | 132 | 102.4 | 34.6 | -15.5 | 0 | 0 | 0 | 116.7 | | |
| 608 | N | 33.1 | Very low | 34.5 | Very low | 140 Ų | 140 | 129.9 Ų | 129.9 | 75% | 0.749 | 76% | 0.756 | S | S | * | * | | | trans | 67.9 | 168.9 | 133.7 | -53.3 | -8.3 | 0 | 0 | 0 | 117 | | |
| 609 | T | 29.2 | Very low | 34.9 | Very low | 116 Ų | 116 | 130.4 Ų | 130.4 | 71% | 0.712 | 74% | 0.742 | S | S | * | * | | | cis | -160.5 | 127.3 | 29.6 | -42.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 610 | V | 38.1 | Very low | 35.7 | Very low | 120 Ų | 120 | 133.1 Ų | 133.1 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | | | trans | 66.2 | 150.6 | 145.9 | 162.9 | 0 | 0 | 0 | 0 | 119.4 | | |
| 611 | E | 30.5 | Very low | 36.2 | Very low | 153 Ų | 153 | 133.7 Ų | 133.7 | 72% | 0.715 | 75% | 0.748 | S | S | * | * | | | cis | -179.1 | 175.7 | -24.8 | -167 | 160.5 | -138.7 | 0 | 0 | 108.2 | | |
| 612 | L | 37 | Very low | 37 | Very low | 129 Ų | 129 | 134.8 Ų | 134.8 | 68% | 0.675 | 76% | 0.755 | S | S | * | * | | | trans | 69.8 | 129.8 | 176.3 | -66.1 | 108.4 | 0 | 0 | 0 | 116.1 | | |
| 613 | E | 31.3 | Very low | 37.6 | Very low | 157 Ų | 157 | 137 Ų | 137 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | | | cis | 75 | 137.3 | 49 | -65.4 | 178 | 170.9 | 0 | 0 | 112.2 | | |
| 614 | E | 33.7 | Very low | 38 | Very low | 168 Ų | 168 | 141 Ų | 141 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | | | cis | -159.2 | -165 | -0.9 | -136.7 | -170.1 | 176.3 | 0 | 0 | 110.7 | | |
| 615 | T | 33.5 | Very low | 38.8 | Very low | 119 Ų | 119 | 138.8 Ų | 138.8 | 73% | 0.73 | 76% | 0.763 | S | S | * | * | | | trans | 86.5 | 106.7 | 157.6 | -40 | 0 | 0 | 0 | 0 | 117.6 | | |
| 616 | E | 40.1 | Very low | 39.8 | Very low | 192 Ų | 192 | 140.5 Ų | 140.5 | 90% | 0.897 | 77% | 0.767 | S | S | * | * | | | trans | -75.3 | 133.6 | 153 | -50.8 | 175.6 | 122.3 | 0 | 0 | 109.7 | | |
| 617 | E | 38 | Very low | 40.7 | Very low | 168 Ų | 168 | 142.4 Ų | 142.4 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | | | trans | -147.5 | 132 | 151.2 | -165.7 | 171.2 | -158.2 | 0 | 0 | 111.3 | T619 | E617-T619 HydrophobicContact CG-CG2 4.47Š|
| 618 | S | 42.1 | Very low | 41.3 | Very low | 122 Ų | 122 | 144.1 Ų | 144.1 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | | | trans | -110.6 | 101.1 | -178.9 | 47.5 | 0 | 0 | 0 | 0 | 111 | | |
| 619 | T | 40.4 | Very low | 42.5 | Very low | 97 Ų | 97 | 144.9 Ų | 144.9 | 60% | 0.595 | 78% | 0.779 | S | S | * | * | | | trans | -126 | 119.1 | 171.1 | 51.7 | 0 | 0 | 0 | 0 | 112.2 | E617 T621 | E617-T619 HydrophobicContact CG-CG2 4.47Å; T619-T621 PolarHBondContact O-N 3.22Å |
| 620 | T | 47.6 | Very low | 44.5 | Very low | 151 Ų | 151 | 145.2 Ų | 145.2 | 93% | 0.926 | 78% | 0.776 | S | S | * | * | | | trans | -69.1 | 108.4 | 174.7 | 50.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 621 | T | 42.8 | Very low | 45.9 | Very low | 119 Ų | 119 | 144.8 Ų | 144.8 | 73% | 0.73 | 78% | 0.775 | S | S | * | * | | | trans | -123.2 | 132.9 | 170.7 | 46.2 | 0 | 0 | 0 | 0 | 110.8 | T619 Q623 | T619-T621 PolarHBondContact O-N 3.22Å; T621-Q623 PolarHBondContact O-N 3.44Å |
| 622 | T | 46.8 | Very low | 47.1 | Very low | 137 Ų | 137 | 143 Ų | 143 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | | | trans | -68.7 | 109.7 | -178.8 | 44.7 | 0 | 0 | 0 | 0 | 110.4 | E624 | T622-E624 PolarHBondContact O-N 2.9Š|
| 623 | Q | 44.5 | Very low | 47.9 | Very low | 181 Ų | 181 | 142.1 Ų | 142.1 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | | | trans | -70.1 | 100.1 | 165.2 | -72.3 | -169.2 | -1 | 0 | 0 | 109.3 | T621 V625 | T621-Q623 PolarHBondContact O-N 3.44Å; Q623-V625 PolarHBondContact O-N 2.89Å; Q623-V625 VanDerWaalsContact O-N 3.09Å |
| 624 | E | 44.6 | Very low | 48.8 | Very low | 175 Ų | 175 | 140.2 Ų | 140.2 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | -60.8 | 109.5 | 161.2 | -65.4 | -170.1 | 149.1 | 0 | 0 | 107.9 | T622 L626 | T622-E624 PolarHBondContact O-N 2.9Å; E624-L626 PolarHBondContact O-N 2.65Å |
| 625 | V | 47.6 | Very low | 49.6 | Very low | 122 Ų | 122 | 139.6 Ų | 139.6 | 74% | 0.739 | 78% | 0.784 | S | S | * | * | | | trans | -67.1 | 99.8 | 179.7 | 179.4 | 0 | 0 | 0 | 0 | 108.5 | Q623 L627 | Q623-V625 PolarHBondContact O-N 2.89Å; Q623-V625 VanDerWaalsContact O-N 3.09Å; V625-L627 PolarHBondContact O-N 2.75Å |
| 626 | L | 53.4 | Low | 50.5 | Low | 159 Ų | 159 | 140.8 Ų | 140.8 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | | | trans | -56.6 | 106.1 | 170.3 | -72.2 | 171.8 | 0 | 0 | 0 | 108.5 | E624 L628 | E624-L626 PolarHBondContact O-N 2.65Å; L626-L628 VanDerWaalsContact C-N 3.25Å; L626-L628 PolarHBondContact O-N 3.35Å |
| 627 | L | 54.7 | Low | 51 | Low | 164 Ų | 164 | 137 Ų | 137 | 86% | 0.859 | 77% | 0.773 | S | S | * | * | | | trans | -66.8 | 86.7 | 175.7 | -73.2 | 172.3 | 0 | 0 | 0 | 109.3 | V625 D629 | V625-L627 PolarHBondContact O-N 2.75Å; L627-D629 PolarHBondContact O-N 3.27Å |
| 628 | L | 58.3 | Low | 51.8 | Low | 138 Ų | 138 | 134.7 Ų | 134.7 | 72% | 0.723 | 76% | 0.763 | S | S | * | * | | | trans | -70.8 | 98.2 | 176.7 | -162.8 | 72.6 | 0 | 0 | 0 | 108.3 | L626 L630 | L626-L628 VanDerWaalsContact C-N 3.25Å; L626-L628 PolarHBondContact O-N 3.35Å; L628-L630 HydrophobicContact CD2-CD1 4.24Å; L628-L630 HydrophobicContact CD2-CD2 3.93Å; L628-L630 HydrophobicContact CD2-CG 4.06Å; L628-L630 HydrophobicContact CG-CD2 4.11Å; L628-L630 HydrophobicContact CG-CG 4.15Å; L628-L630 PolarHBondContact O-N 2.77Å |
| 629 | D | 58.4 | Low | 52.6 | Low | 156 Ų | 156 | 137 Ų | 137 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | | | trans | -68.6 | 75.9 | 179.8 | -171.6 | 27.6 | 0 | 0 | 0 | 110.8 | L627 | L627-D629 PolarHBondContact O-N 3.27Š|
| 630 | L | 70.3 | Confident | 53.5 | Low | 123 Ų | 123 | 140.2 Ų | 140.2 | 64% | 0.644 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 129.2 | 173.6 | -65.3 | 179.3 | 0 | 0 | 0 | 108.9 | L628 | L628-L630 HydrophobicContact CD2-CD1 4.24Å; L628-L630 HydrophobicContact CD2-CD2 3.93Å; L628-L630 HydrophobicContact CD2-CG 4.06Å; L628-L630 HydrophobicContact CG-CD2 4.11Å; L628-L630 HydrophobicContact CG-CG 4.15Å; L628-L630 PolarHBondContact O-N 2.77Å |
| 631 | P | 67.8 | Low | 54.3 | Low | 110 Ų | 110 | 139.3 Ų | 139.3 | 71% | 0.714 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 137.9 | 179.4 | 25.4 | -34 | 0 | 0 | 0 | 110 | | |
| 632 | P | 57.2 | Low | 55.5 | Low | 117 Ų | 117 | 142.4 Ų | 142.4 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 136.1 | -172.1 | 22.9 | -33.9 | 0 | 0 | 0 | 110.8 | S634 | P632-S634 PolarHBondContact O-N 3.15Š|
| 633 | P | 52.4 | Low | 56.5 | Low | 110 Ų | 110 | 141.5 Ų | 141.5 | 71% | 0.714 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 130.3 | -177.3 | 24.1 | -33.6 | 0 | 0 | 0 | 109.6 | L635 | P633-L635 VanDerWaalsContact C-N 3.25Å; P633-L635 PolarHBondContact O-N 2.97Å |
| 634 | S | 50.5 | Low | 57.5 | Low | 117 Ų | 117 | 138.2 Ų | 138.2 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | | | trans | -71.9 | 82.2 | -179.1 | 61.5 | 0 | 0 | 0 | 0 | 110.4 | P632 Q636 | P632-S634 PolarHBondContact O-N 3.15Å; S634-Q636 VanDerWaalsContact C-N 3.31Å; S634-Q636 PolarHBondContact O-N 2.79Å |
| 635 | L | 50.2 | Low | 58.7 | Low | 155 Ų | 155 | 135.2 Ų | 135.2 | 81% | 0.812 | 73% | 0.732 | S | S | * | * | | | trans | -61.6 | 93.1 | 170.1 | -65.5 | 178.3 | 0 | 0 | 0 | 108.7 | P633 P637 | P633-L635 VanDerWaalsContact C-N 3.25Å; P633-L635 PolarHBondContact O-N 2.97Å; L635-P637 VanDerWaalsContact O-CD 3.29Å; L635-P637 WeakPolarHBondContact O-CD 3.05Å |
| 636 | Q | 53 | Low | 59.7 | Low | 143 Ų | 143 | 133.7 Ų | 133.7 | 67% | 0.668 | 73% | 0.732 | S | S | * | * | | | trans | -59.2 | 122.6 | 158.4 | -82 | -166.1 | -15.2 | 0 | 0 | 107.3 | S634 Q638 | S634-Q636 VanDerWaalsContact C-N 3.31Å; S634-Q636 PolarHBondContact O-N 2.79Å; Q636-Q638 HydrophobicContact CB-CG 4.31Å; Q636-Q638 PolarHBondContact O-N 2.75Å |
| 637 | P | 49.5 | Very low | 60 | Low | 112 Ų | 112 | 132.8 Ų | 132.8 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | | | trans | -72.3 | 78.5 | 166.7 | 31.5 | -33 | 0 | 0 | 0 | 108 | L635 E639 | L635-P637 VanDerWaalsContact O-CD 3.29Å; L635-P637 WeakPolarHBondContact O-CD 3.05Å; P637-E639 PolarHBondContact O-N 3.38Å |
| 638 | Q | 54.8 | Low | 60.4 | Low | 120 Ų | 120 | 129 Ų | 129 | 56% | 0.561 | 71% | 0.711 | S | S | * | * | | | trans | -70.8 | 91.5 | 161.8 | -70 | -168.6 | 7.8 | 0 | 0 | 106.8 | Q636 K640 | Q636-Q638 HydrophobicContact CB-CG 4.31Å; Q636-Q638 PolarHBondContact O-N 2.75Å; Q638-K640 HydrophobicContact CB-CG 4.39Å; Q638-K640 PolarHBondContact O-N 2.74Å |
| 639 | E | 59.9 | Low | 60.4 | Low | 172 Ų | 172 | 126.7 Ų | 126.7 | 80% | 0.804 | 71% | 0.705 | S | S | * | * | | | trans | -65.6 | 68.4 | 170.4 | -65.7 | -177.6 | 171.9 | 0 | 0 | 109.8 | P637 L641 | P637-E639 PolarHBondContact O-N 3.38Å; E639-L641 VanDerWaalsContact C-N 3.29Å; E639-L641 PolarHBondContact O-N 2.94Å |
| 640 | K | 60.1 | Low | 60.2 | Low | 164 Ų | 164 | 127.3 Ų | 127.3 | 71% | 0.713 | 71% | 0.708 | S | S | * | * | | | trans | -67.3 | 93.3 | 168.2 | -68.6 | -176.1 | -179 | 179.4 | 0 | 106.9 | Q638 L642 | Q638-K640 HydrophobicContact CB-CG 4.39Å; Q638-K640 PolarHBondContact O-N 2.74Å; K640-L642 PolarHBondContact O-N 2.95Å |
| 641 | L | 64.2 | Low | 59.7 | Low | 132 Ų | 132 | 128.8 Ų | 128.8 | 69% | 0.691 | 72% | 0.716 | S | S | * | * | | | trans | -49.4 | 124.9 | 168.7 | -60.9 | 176.3 | 0 | 0 | 0 | 107.8 | E639 I643 | E639-L641 VanDerWaalsContact C-N 3.29Å; E639-L641 PolarHBondContact O-N 2.94Å; L641-I643 PolarHBondContact O-N 3.25Å |
| 642 | L | 68.1 | Low | 59.2 | Low | 183 Ų | 183 | 130.6 Ų | 130.6 | 96% | 0.958 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -68.3 | 11.2 | -178.4 | -70.3 | 166.5 | 0 | 0 | 0 | 113.5 | K640 | K640-L642 PolarHBondContact O-N 2.95Š|
| 643 | I | 67.4 | Low | 59 | Low | 119 Ų | 119 | 135.8 Ų | 135.8 | 61% | 0.61 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -131.5 | 106.7 | -179.7 | -54.6 | 175.3 | 0 | 0 | 0 | 105.7 | L641 L645 | L641-I643 PolarHBondContact O-N 3.25Å; I643-L645 VanDerWaalsContact C-N 3.32Å; I643-L645 HydrophobicContact CG2-CD2 3.71Å; I643-L645 HydrophobicContact CG2-CG 4.11Å; I643-L645 PolarHBondContact O-N 2.85Å |
| 644 | D | 65.2 | Low | 58.9 | Low | 111 Ų | 111 | 137.2 Ų | 137.2 | 59% | 0.594 | 73% | 0.729 | S | S | * | * | | | trans | -74.1 | 88.5 | 173.1 | -179.7 | 18.2 | 0 | 0 | 0 | 110.1 | A646 N647 | D644-A646 PolarHBondContact O-N 2.77Å; D644-A646 VanDerWaalsContact OD1-CB 3.24Å; D644-A646 WeakPolarHBondContact OD1-CB 3.45Å; D644-A646 PolarHBondContact OD1-N 3.02Å; D644-A646 VanDerWaalsContact OD1-N 3.09Å; D644-N647 PolarHBondContact O-N 2.84Å |
| 645 | L | 69.5 | Low | 58.6 | Low | 112 Ų | 112 | 136.5 Ų | 136.5 | 59% | 0.586 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -66.8 | -12.3 | 179 | -66.9 | 173.9 | 0 | 0 | 0 | 113.1 | I643 N647 T648 | I643-L645 VanDerWaalsContact C-N 3.32Å; I643-L645 HydrophobicContact CG2-CD2 3.71Å; I643-L645 HydrophobicContact CG2-CG 4.11Å; I643-L645 PolarHBondContact O-N 2.85Å; L645-N647 PolarHBondContact O-N 3.25Å; L645-T648 WeakPolarHBondContact CA-OG1 3.28Å; L645-T648 WeakPolarHBondContact O-CB 3.27Å; L645-T648 PolarHBondContact O-N 3.1Å; L645-T648 VanDerWaalsContact O-N 3.09Å; L645-T648 PolarHBondContact O-OG1 3.09Å |
| 646 | A | 68.1 | Low | 58.5 | Low | 91 Ų | 91 | 134.9 Ų | 134.9 | 75% | 0.752 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -68.5 | -15.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | D644 | D644-A646 PolarHBondContact O-N 2.77Å; D644-A646 VanDerWaalsContact OD1-CB 3.24Å; D644-A646 WeakPolarHBondContact OD1-CB 3.45Å; D644-A646 PolarHBondContact OD1-N 3.02Å; D644-A646 VanDerWaalsContact OD1-N 3.09Å |
| 647 | N | 59.7 | Low | 58.1 | Low | 140 Ų | 140 | 134.4 Ų | 134.4 | 75% | 0.749 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -95.8 | 9 | 173.4 | -120.5 | -28.4 | 0 | 0 | 0 | 113.3 | D644 L645 P649 | D644-N647 PolarHBondContact O-N 2.84Å; L645-N647 PolarHBondContact O-N 3.25Å; N647-P649 WeakPolarHBondContact O-CD 3.39Å |
| 648 | T | 63.4 | Low | 58 | Low | 83 Ų | 83 | 134.3 Ų | 134.3 | 51% | 0.509 | 73% | 0.73 | S | S | . | * | S | Bend | trans | -79.6 | 121.3 | 172 | -36.9 | 0 | 0 | 0 | 0 | 108.9 | L645 | L645-T648 WeakPolarHBondContact CA-OG1 3.28Å; L645-T648 WeakPolarHBondContact O-CB 3.27Å; L645-T648 PolarHBondContact O-N 3.1Å; L645-T648 VanDerWaalsContact O-N 3.09Å; L645-T648 PolarHBondContact O-OG1 3.09Å |
| 649 | P | 58.8 | Low | 57.2 | Low | 90 Ų | 90 | 134.3 Ų | 134.3 | 58% | 0.584 | 74% | 0.742 | S | S | * | * | | | trans | -65.4 | 138.6 | 174.4 | 26.3 | -33.2 | 0 | 0 | 0 | 110.9 | N647 L651 | N647-P649 WeakPolarHBondContact O-CD 3.39Å; P649-L651 VanDerWaalsContact C-N 3.27Å; P649-L651 HydrophobicContact CG-CD1 4.32Å; P649-L651 HydrophobicContact CG-CG 4.28Å; P649-L651 PolarHBondContact O-N 3.18Å |
| 650 | D | 55.3 | Low | 56.5 | Low | 170 Ų | 170 | 131.5 Ų | 131.5 | 91% | 0.909 | 74% | 0.737 | S | S | * | * | | | trans | -66.9 | 76.8 | 179.6 | -90 | -44.7 | 0 | 0 | 0 | 112.2 | I652 | D650-I652 PolarHBondContact O-N 3.09Š|
| 651 | L | 58.8 | Low | 56.1 | Low | 154 Ų | 154 | 129.9 Ų | 129.9 | 81% | 0.806 | 74% | 0.741 | S | S | * | * | | | trans | -78.5 | 41 | -176.5 | -73.1 | 173 | 0 | 0 | 0 | 113.9 | P649 | P649-L651 VanDerWaalsContact C-N 3.27Å; P649-L651 HydrophobicContact CG-CD1 4.32Å; P649-L651 HydrophobicContact CG-CG 4.28Å; P649-L651 PolarHBondContact O-N 3.18Å |
| 652 | I | 57.8 | Low | 55.1 | Low | 147 Ų | 147 | 129.7 Ų | 129.7 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | | | trans | -141.3 | 132.9 | 170.6 | -22.1 | 178.4 | 0 | 0 | 0 | 112.9 | D650 | D650-I652 PolarHBondContact O-N 3.09Š|
| 653 | R | 52.2 | Low | 54.2 | Low | 226 Ų | 226 | 129.7 Ų | 129.7 | 85% | 0.853 | 74% | 0.741 | S | S | * | * | | | trans | 78.8 | 87.5 | 162.3 | -43.7 | 174.2 | 77.6 | 175.7 | 4.7 | 117.6 | | |
| 654 | T | 50.5 | Low | 53.4 | Low | 140 Ų | 140 | 132.4 Ų | 132.4 | 86% | 0.859 | 76% | 0.755 | S | S | * | * | | | | -168 | 115.8 | 109.2 | 35 | 0 | 0 | 0 | 0 | 112.2 | | |
| 655 | S | 43.8 | Very low | 52.8 | Low | 102 Ų | 102 | 133.3 Ų | 133.3 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | | | trans | -157.6 | 54.8 | 162.3 | 51.1 | 0 | 0 | 0 | 0 | 110.6 | N657 | S655-N657 PolarHBondContact O-N 2.84Š|
| 656 | S | 47.9 | Very low | 52.3 | Low | 122 Ų | 122 | 133.5 Ų | 133.5 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | | | trans | -75.1 | 58.3 | 172.3 | 57.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 657 | N | 45 | Very low | 51.8 | Low | 132 Ų | 132 | 136.5 Ų | 136.5 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | | | trans | -113.3 | 138.2 | -171.2 | -61.1 | 25.3 | 0 | 0 | 0 | 108.5 | S655 C659 | S655-N657 PolarHBondContact O-N 2.84Å; N657-C659 PolarHBondContact O-N 2.88Å; N657-C659 VanDerWaalsContact O-N 3.14Å |
| 658 | S | 47.4 | Very low | 51.6 | Low | 110 Ų | 110 | 134.3 Ų | 134.3 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | | | trans | -65.4 | 111 | -169.3 | 50.5 | 0 | 0 | 0 | 0 | 113 | T660 | S658-T660 PolarHBondContact O-N 2.94Å; S658-T660 VanDerWaalsContact O-N 3.14Å |
| 659 | C | 37.8 | Very low | 50.9 | Low | 121 Ų | 121 | 135 Ų | 135 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | | | trans | -74.2 | 100.1 | 172.8 | -176.7 | 0 | 0 | 0 | 0 | 110.8 | N657 | N657-C659 PolarHBondContact O-N 2.88Å; N657-C659 VanDerWaalsContact O-N 3.14Å |
| 660 | T | 45.5 | Very low | 50.7 | Low | 113 Ų | 113 | 136.3 Ų | 136.3 | 69% | 0.693 | 78% | 0.776 | S | S | * | * | | | trans | -90.8 | 101.2 | 167.1 | 48.2 | 0 | 0 | 0 | 0 | 110.5 | S658 | S658-T660 PolarHBondContact O-N 2.94Å; S658-T660 VanDerWaalsContact O-N 3.14Å |
| 661 | T | 52.1 | Low | 50.2 | Low | 129 Ų | 129 | 136.1 Ų | 136.1 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | | | trans | 46.4 | 76 | 147.3 | 55.6 | 0 | 0 | 0 | 0 | 117.9 | | |
| 662 | T | 42.9 | Very low | 50.2 | Low | 129 Ų | 129 | 135.6 Ų | 135.6 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | | | trans | -123.5 | 131.5 | 137.5 | 47.8 | 0 | 0 | 0 | 0 | 108.5 | L664 | T662-L664 PolarHBondContact O-N 3.42Š|
| 663 | Q | 48.2 | Very low | 49.9 | Very low | 182 Ų | 182 | 136.5 Ų | 136.5 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | | | trans | -90.3 | 103.8 | -171.3 | -70.6 | 172.3 | -20 | 0 | 0 | 110.3 | I665 | Q663-I665 PolarHBondContact O-N 2.85Š|
| 664 | L | 52.1 | Low | 50.1 | Low | 176 Ų | 176 | 136.3 Ų | 136.3 | 92% | 0.921 | 77% | 0.768 | S | S | * | * | | | trans | -73.1 | 120.7 | 157 | -68.4 | 178.2 | 0 | 0 | 0 | 107.7 | T662 D666 | T662-L664 PolarHBondContact O-N 3.42Å; L664-D666 PolarHBondContact O-N 2.96Å |
| 665 | I | 52 | Low | 49.9 | Very low | 131 Ų | 131 | 132 Ų | 132 | 67% | 0.672 | 74% | 0.743 | S | S | * | * | | | trans | -78.4 | 120.8 | -160.6 | -51 | 169.8 | 0 | 0 | 0 | 110.5 | Q663 L667 | Q663-I665 PolarHBondContact O-N 2.85Å; I665-L667 HydrophobicContact CB-CD2 4.4Å; I665-L667 HydrophobicContact CB-CG 4.28Å; I665-L667 HydrophobicContact CG2-CD2 3.58Å; I665-L667 HydrophobicContact CG2-CG 3.87Å; I665-L667 PolarHBondContact O-N 3.26Å; I665-L667 VanDerWaalsContact O-N 3.08Å |
| 666 | D | 58.8 | Low | 50.4 | Low | 115 Ų | 115 | 133.5 Ų | 133.5 | 62% | 0.615 | 75% | 0.751 | S | S | * | * | | | trans | -75.2 | 93.3 | 165.7 | -178.7 | 4.1 | 0 | 0 | 0 | 109.9 | L664 S668 | L664-D666 PolarHBondContact O-N 2.96Å; D666-S668 PolarHBondContact O-N 2.57Å; D666-S668 VanDerWaalsContact OD1-CB 3.25Å; D666-S668 WeakPolarHBondContact OD1-CB 3.29Å; D666-S668 PolarHBondContact OD1-N 3.15Å; D666-S668 PolarHBondContact OD1-OG 2.82Å |
| 667 | L | 58.6 | Low | 50.5 | Low | 155 Ų | 155 | 134.7 Ų | 134.7 | 81% | 0.812 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | 13.4 | 177.9 | -66.3 | 172.4 | 0 | 0 | 0 | 113.5 | I665 | I665-L667 HydrophobicContact CB-CD2 4.4Å; I665-L667 HydrophobicContact CB-CG 4.28Å; I665-L667 HydrophobicContact CG2-CD2 3.58Å; I665-L667 HydrophobicContact CG2-CG 3.87Å; I665-L667 PolarHBondContact O-N 3.26Å; I665-L667 VanDerWaalsContact O-N 3.08Å |
| 668 | S | 54.8 | Low | 50.8 | Low | 94 Ų | 94 | 135.5 Ų | 135.5 | 66% | 0.657 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | 2.4 | -173.5 | 77.1 | 0 | 0 | 0 | 0 | 116.2 | D666 | D666-S668 PolarHBondContact O-N 2.57Å; D666-S668 VanDerWaalsContact OD1-CB 3.25Å; D666-S668 WeakPolarHBondContact OD1-CB 3.29Å; D666-S668 PolarHBondContact OD1-N 3.15Å; D666-S668 PolarHBondContact OD1-OG 2.82Å |
| 669 | S | 49.2 | Very low | 51.4 | Low | 98 Ų | 98 | 139.4 Ų | 139.4 | 69% | 0.685 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -86.2 | 119.9 | 167.9 | -74.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 670 | P | 54.3 | Low | 52.2 | Low | 117 Ų | 117 | 142.5 Ų | 142.5 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -75.9 | 156.9 | -174.6 | 31.5 | -36.1 | 0 | 0 | 0 | 112.8 | | |
| 671 | L | 45.7 | Very low | 52.9 | Low | 165 Ų | 165 | 145.7 Ų | 145.7 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | | | trans | 74 | 85.6 | -173.6 | -56.2 | 171.1 | 0 | 0 | 0 | 113.9 | K673 | L671-K673 PolarHBondContact O-N 2.76Š|
| 672 | I | 57.3 | Low | 52.7 | Low | 143 Ų | 143 | 146.5 Ų | 146.5 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | | | trans | -52.4 | 108.9 | 160.7 | -45.9 | 164.6 | 0 | 0 | 0 | 108.1 | W674 | I672-W674 VanDerWaalsContact CG2-CD1 3.47Å; I672-W674 HydrophobicContact CG2-CG 4.39Å; I672-W674 PolarHBondContact O-N 2.87Å |
| 673 | K | 52.8 | Low | 53.3 | Low | 167 Ų | 167 | 145.4 Ų | 145.4 | 73% | 0.726 | 75% | 0.754 | S | S | * | * | | | trans | -76 | 80.2 | 168.9 | -81.2 | -154 | 72.4 | -133.6 | 0 | 109.7 | L671 S675 | L671-K673 PolarHBondContact O-N 2.76Å; K673-S675 WeakPolarHBondContact CE-OG 3.32Å; K673-S675 PolarHBondContact NZ-OG 3.34Å; K673-S675 PolarHBondContact O-N 3.2Å |
| 674 | W | 56.4 | Low | 53.6 | Low | 221 Ų | 221 | 139.9 Ų | 139.9 | 84% | 0.837 | 74% | 0.739 | S | S | * | * | | | trans | -58.3 | 109.2 | 155.3 | -70.2 | 80.1 | 0 | 0 | 0 | 107.4 | I672 | I672-W674 VanDerWaalsContact CG2-CD1 3.47Å; I672-W674 HydrophobicContact CG2-CG 4.39Å; I672-W674 PolarHBondContact O-N 2.87Å |
| 675 | S | 46.2 | Very low | 53.7 | Low | 49 Ų | 49 | 137.2 Ų | 137.2 | 34% | 0.343 | 73% | 0.733 | S | S | . | * | | | trans | -151.9 | 95.5 | 177.1 | -59.1 | 0 | 0 | 0 | 0 | 106.8 | K673 E677 | K673-S675 WeakPolarHBondContact CE-OG 3.32Å; K673-S675 PolarHBondContact NZ-OG 3.34Å; K673-S675 PolarHBondContact O-N 3.2Å; S675-E677 PolarHBondContact O-N 2.8Å |
| 676 | P | 53.3 | Low | 54 | Low | 134 Ų | 134 | 139 Ų | 139 | 87% | 0.87 | 74% | 0.743 | S | S | * | * | | | trans | -74.6 | 75.6 | 178.7 | 30.9 | -33.9 | 0 | 0 | 0 | 109.6 | D678 | P676-D678 PolarHBondContact O-N 3.2Å; P676-D678 VanDerWaalsContact O-N 3.08Å |
| 677 | E | 50.4 | Low | 54.1 | Low | 148 Ų | 148 | 140.8 Ų | 140.8 | 69% | 0.692 | 75% | 0.751 | S | S | * | * | | | trans | -84.4 | 55.5 | -179.4 | -131.6 | 90.1 | -138 | 0 | 0 | 110.9 | S675 | S675-E677 PolarHBondContact O-N 2.8Š|
| 678 | D | 51.8 | Low | 53.7 | Low | 148 Ų | 148 | 140.9 Ų | 140.9 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | | | trans | -123 | 111.6 | 173.8 | -134.6 | -30.3 | 0 | 0 | 0 | 111.6 | P676 | P676-D678 PolarHBondContact O-N 3.2Å; P676-D678 VanDerWaalsContact O-N 3.08Å |
| 679 | K | 58.3 | Low | 54 | Low | 192 Ų | 192 | 143.3 Ų | 143.3 | 84% | 0.835 | 76% | 0.757 | S | S | * | * | | | trans | -103.2 | 83.1 | -170.6 | -67.6 | -177.7 | -177.7 | 178.2 | 0 | 110 | | |
| 680 | K | 55.7 | Low | 54.1 | Low | 187 Ų | 187 | 144 Ų | 144 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | | | trans | -114 | 83.8 | 177.7 | -139.2 | 174.3 | -172.9 | 179.9 | 0 | 112.4 | N682 | K680-N682 PolarHBondContact O-N 3.02Š|
| 681 | E | 60 | Low | 53.8 | Low | 179 Ų | 179 | 151.5 Ų | 151.5 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | | | trans | 25 | 67.4 | 141 | -162.8 | 163.2 | -136.5 | 0 | 0 | 116.6 | S683 | E681-S683 PolarHBondContact O-N 3.14Å; E681-S683 VanDerWaalsContact O-N 3.15Å |
| 682 | N | 47.7 | Very low | 54.3 | Low | 147 Ų | 147 | 150.8 Ų | 150.8 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | | | trans | -85 | 84.3 | 174 | -167.7 | -2.5 | 0 | 0 | 0 | 110.1 | K680 A684 | K680-N682 PolarHBondContact O-N 3.02Å; N682-A684 PolarHBondContact O-N 3.06Å |
| 683 | S | 55.4 | Low | 54.1 | Low | 106 Ų | 106 | 151.2 Ų | 151.2 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | | | trans | -77.9 | 56.8 | -179.7 | -66 | 0 | 0 | 0 | 0 | 112.8 | E681 | E681-S683 PolarHBondContact O-N 3.14Å; E681-S683 VanDerWaalsContact O-N 3.15Å |
| 684 | A | 54.5 | Low | 54.2 | Low | 65 Ų | 65 | 150.3 Ų | 150.3 | 54% | 0.537 | 78% | 0.784 | S | S | . | * | | | trans | -85.9 | 133.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | N682 L686 | N682-A684 PolarHBondContact O-N 3.06Å; A684-L686 PolarHBondContact O-N 3.39Å |
| 685 | P | 54.9 | Low | 54 | Low | 120 Ų | 120 | 146.2 Ų | 146.2 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | | | trans | -71.1 | 126.2 | 179.2 | 28.6 | -33.4 | 0 | 0 | 0 | 111.1 | I687 | P685-I687 PolarHBondContact O-N 3.13Š|
| 686 | L | 57.9 | Low | 54.5 | Low | 170 Ų | 170 | 152.3 Ų | 152.3 | 89% | 0.89 | 81% | 0.809 | S | S | * | * | | | trans | -65 | 115.4 | 176.3 | -70.3 | 170 | 0 | 0 | 0 | 110.7 | A684 N688 | A684-L686 PolarHBondContact O-N 3.39Å; L686-N688 PolarHBondContact O-N 3.48Å |
| 687 | I | 61.6 | Low | 54.6 | Low | 152 Ų | 152 | 153.5 Ų | 153.5 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | | | trans | -72.9 | 109 | 173.7 | -50 | 176.9 | 0 | 0 | 0 | 108 | P685 L689 | P685-I687 PolarHBondContact O-N 3.13Å; I687-L689 HydrophobicContact CG2-CD2 4.45Å; I687-L689 HydrophobicContact CG2-CG 4.21Å; I687-L689 PolarHBondContact O-N 2.68Å; I687-L689 VanDerWaalsContact O-N 3.13Å |
| 688 | N | 50.3 | Low | 54.9 | Low | 157 Ų | 157 | 153.9 Ų | 153.9 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | | | trans | -87.7 | 84 | -170.9 | -147.2 | 13.7 | 0 | 0 | 0 | 110.5 | L686 S690 | L686-N688 PolarHBondContact O-N 3.48Å; N688-S690 PolarHBondContact O-N 2.78Å |
| 689 | L | 59.9 | Low | 55.1 | Low | 144 Ų | 144 | 154.3 Ų | 154.3 | 75% | 0.754 | 81% | 0.814 | S | S | * | * | | | trans | -88.5 | 93.2 | 175.7 | -66.8 | 178.8 | 0 | 0 | 0 | 110.9 | I687 | I687-L689 HydrophobicContact CG2-CD2 4.45Å; I687-L689 HydrophobicContact CG2-CG 4.21Å; I687-L689 PolarHBondContact O-N 2.68Å; I687-L689 VanDerWaalsContact O-N 3.13Å |
| 690 | S | 52.7 | Low | 54.9 | Low | 113 Ų | 113 | 151.2 Ų | 151.2 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | | | trans | -81.2 | 124.1 | 165 | 54.5 | 0 | 0 | 0 | 0 | 110.5 | N688 | N688-S690 PolarHBondContact O-N 2.78Š|
| 691 | F | 47.9 | Very low | 54.8 | Low | 274 Ų | 274 | 147.9 Ų | 147.9 | 100% | 1.202 | 81% | 0.812 | S | S | * | * | | | trans | -80.2 | 0 | 163 | -68.1 | -89.6 | 0 | 0 | 0 | 111 | | |