| 1 | M | 35.3 | Very low | 33.9 | Very low | 231 Ų | 231 | 164.2 Ų | 164.2 | 100% | 1.138 | 81% | 0.812 | S | S | * | * | | | | 0 | 119.9 | 0 | -70.3 | 169.7 | 67.6 | 0 | 0 | 107.3 | | |
| 2 | Y | 33.7 | Very low | 33.7 | Very low | 227 Ų | 227 | 161.4 Ų | 161.4 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | | | trans | -97.7 | 109 | -175.1 | -79.3 | -84.4 | 0 | 0 | 0 | 110.9 | | |
| 3 | S | 34.7 | Very low | 33.5 | Very low | 107 Ų | 107 | 156.2 Ų | 156.2 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | | | trans | -107 | 82.7 | 169.1 | -64.5 | 0 | 0 | 0 | 0 | 108.9 | E5 | S3-E5 PolarHBondContact O-N 3.24Š|
| 4 | L | 35.9 | Very low | 33.6 | Very low | 143 Ų | 143 | 154.1 Ų | 154.1 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | | | trans | -83.4 | 91.2 | 173 | -92.7 | 159.5 | 0 | 0 | 0 | 109.3 | N6 | L4-N6 PolarHBondContact O-N 3.1Š|
| 5 | E | 34.9 | Very low | 33.4 | Very low | 151 Ų | 151 | 153.7 Ų | 153.7 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | | | trans | -67 | 87.3 | 179.8 | -152.4 | 82.4 | -156.3 | 0 | 0 | 110.7 | S3 H7 | S3-E5 PolarHBondContact O-N 3.24Å; E5-H7 PolarHBondContact O-N 3.22Å |
| 6 | N | 35.2 | Very low | 33.5 | Very low | 148 Ų | 148 | 154.6 Ų | 154.6 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | | | trans | -72 | 92.9 | -179.9 | -90 | -44.8 | 0 | 0 | 0 | 111.5 | L4 R8 | L4-N6 PolarHBondContact O-N 3.1Å; N6-R8 PolarHBondContact O-N 3.34Å |
| 7 | H | 35.5 | Very low | 33.4 | Very low | 172 Ų | 172 | 155.5 Ų | 155.5 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | | | trans | -68.2 | 74.1 | 170.4 | -68.9 | -54.2 | 0 | 0 | 0 | 112.3 | E5 S9 | E5-H7 PolarHBondContact O-N 3.22Å; H7-S9 PolarHBondContact O-N 3.28Å; H7-S9 VanDerWaalsContact O-N 3.09Å |
| 8 | R | 32.4 | Very low | 33.3 | Very low | 237 Ų | 237 | 156.1 Ų | 156.1 | 89% | 0.894 | 78% | 0.777 | S | S | * | * | | | trans | -76.9 | 92.5 | 173.7 | -160.7 | 176.9 | -167.6 | -177.6 | 4.4 | 109.6 | N6 S10 | N6-R8 PolarHBondContact O-N 3.34Å; R8-S10 PolarHBondContact O-N 2.96Å; R8-S10 VanDerWaalsContact O-N 3.08Å |
| 9 | S | 31 | Very low | 33.1 | Very low | 97 Ų | 97 | 160 Ų | 160 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | | | trans | -63.8 | 105.1 | 177.8 | 41.1 | 0 | 0 | 0 | 0 | 111.4 | H7 F11 | H7-S9 PolarHBondContact O-N 3.28Å; H7-S9 VanDerWaalsContact O-N 3.09Å; S9-F11 PolarHBondContact O-N 3.01Å; S9-F11 VanDerWaalsContact O-N 3.13Å |
| 10 | S | 31.9 | Very low | 33.1 | Very low | 98 Ų | 98 | 160.3 Ų | 160.3 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | | | trans | -74.6 | 99.6 | 174.2 | 59.1 | 0 | 0 | 0 | 0 | 110.2 | R8 N12 | R8-S10 PolarHBondContact O-N 2.96Å; R8-S10 VanDerWaalsContact O-N 3.08Å; S10-N12 VanDerWaalsContact C-N 3.31Å; S10-N12 PolarHBondContact O-N 3.32Å |
| 11 | F | 32.6 | Very low | 33.1 | Very low | 195 Ų | 195 | 160.7 Ų | 160.7 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | | | trans | -69.2 | 91.4 | 162.1 | -86.5 | -86.2 | 0 | 0 | 0 | 109.3 | S9 S13 | S9-F11 PolarHBondContact O-N 3.01Å; S9-F11 VanDerWaalsContact O-N 3.13Å; F11-S13 PolarHBondContact O-N 3.1Å; F11-S13 VanDerWaalsContact O-N 3.07Å |
| 12 | N | 32 | Very low | 32.8 | Very low | 131 Ų | 131 | 156.8 Ų | 156.8 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | | | trans | -63 | 107.4 | 166.8 | -81.4 | -7.7 | 0 | 0 | 0 | 108.8 | S10 D14 | S10-N12 VanDerWaalsContact C-N 3.31Å; S10-N12 PolarHBondContact O-N 3.32Å; N12-D14 PolarHBondContact O-N 3.11Å |
| 13 | S | 31.1 | Very low | 32.9 | Very low | 93 Ų | 93 | 152.8 Ų | 152.8 | 65% | 0.65 | 76% | 0.76 | S | S | * | * | | | trans | -87.3 | 88.5 | 169.2 | -174.2 | 0 | 0 | 0 | 0 | 108.2 | F11 H15 | F11-S13 PolarHBondContact O-N 3.1Å; F11-S13 VanDerWaalsContact O-N 3.07Å; S13-H15 VanDerWaalsContact C-N 3.33Å; S13-H15 PolarHBondContact O-N 3.18Å; S13-H15 PolarHBondContact O-ND1 3.31Å |
| 14 | D | 34.5 | Very low | 32.6 | Very low | 128 Ų | 128 | 153.8 Ų | 153.8 | 68% | 0.684 | 76% | 0.761 | S | S | * | * | | | trans | -62.6 | 90.8 | 179.2 | -79 | -39.4 | 0 | 0 | 0 | 111.1 | N12 H16 | N12-D14 PolarHBondContact O-N 3.11Å; D14-H16 PolarHBondContact O-N 3.17Å |
| 15 | H | 31.2 | Very low | 32.4 | Very low | 148 Ų | 148 | 155 Ų | 155 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | | | trans | -72.1 | 86.7 | 174.2 | -94.4 | 53.4 | 0 | 0 | 0 | 110.4 | S13 H17 | S13-H15 VanDerWaalsContact C-N 3.33Å; S13-H15 PolarHBondContact O-N 3.18Å; S13-H15 PolarHBondContact O-ND1 3.31Å; H15-H17 PolarHBondContact O-N 2.99Å |
| 16 | H | 34.5 | Very low | 32.2 | Very low | 168 Ų | 168 | 152.3 Ų | 152.3 | 78% | 0.778 | 77% | 0.765 | S | S | * | * | | | trans | -67.6 | 93.2 | 171.4 | -79.3 | -59.3 | 0 | 0 | 0 | 111.8 | D14 Q18 | D14-H16 PolarHBondContact O-N 3.17Å; H16-Q18 PolarHBondContact O-N 3.18Å |
| 17 | H | 31.4 | Very low | 31.9 | Very low | 169 Ų | 169 | 153.3 Ų | 153.3 | 78% | 0.782 | 77% | 0.771 | S | S | * | * | | | trans | -66.5 | 86.4 | 166.7 | -74.4 | -62.6 | 0 | 0 | 0 | 111.7 | H15 R19 | H15-H17 PolarHBondContact O-N 2.99Å; H17-R19 PolarHBondContact O-N 3.24Å |
| 18 | Q | 32.3 | Very low | 31.6 | Very low | 166 Ų | 166 | 151.1 Ų | 151.1 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | | | trans | -74.5 | 91.9 | 163.3 | -80.1 | -172.9 | -13.2 | 0 | 0 | 110.3 | H16 H20 | H16-Q18 PolarHBondContact O-N 3.18Å; Q18-H20 PolarHBondContact O-N 3.42Å; Q18-H20 VanDerWaalsContact O-N 3.1Å |
| 19 | R | 29.1 | Very low | 31.3 | Very low | 231 Ų | 231 | 147.5 Ų | 147.5 | 87% | 0.872 | 77% | 0.767 | S | S | * | * | | | trans | -65.8 | 98.7 | 165.6 | -72.9 | 179.7 | 171.1 | -175.3 | -2.5 | 109.5 | H17 Q21 | H17-R19 PolarHBondContact O-N 3.24Å; R19-Q21 PolarHBondContact O-N 2.91Å |
| 20 | H | 32.5 | Very low | 31.2 | Very low | 166 Ų | 166 | 152.4 Ų | 152.4 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | | | trans | -76.2 | 121.9 | 161.3 | -86.7 | -76.1 | 0 | 0 | 0 | 109.8 | Q18 | Q18-H20 PolarHBondContact O-N 3.42Å; Q18-H20 VanDerWaalsContact O-N 3.1Å |
| 21 | Q | 34.5 | Very low | 31 | Very low | 169 Ų | 169 | 153.5 Ų | 153.5 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | | | trans | -68.2 | 142.9 | 175.8 | -69.5 | -93.6 | 1.1 | 0 | 0 | 110.1 | R19 D23 | R19-Q21 PolarHBondContact O-N 2.91Å; Q21-D23 PolarHBondContact O-N 3.21Å; Q21-D23 VanDerWaalsContact O-N 3.12Å |
| 22 | N | 29 | Very low | 30.7 | Very low | 149 Ų | 149 | 149.4 Ų | 149.4 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | | | trans | -84.3 | 77 | 179 | -70.2 | -44.1 | 0 | 0 | 0 | 110.9 | T24 | N22-T24 PolarHBondContact O-N 3.35Å; N22-T24 PolarHBondContact O-OG1 3.47Å |
| 23 | D | 34.7 | Very low | 30.4 | Very low | 143 Ų | 143 | 148 Ų | 148 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | | | trans | -66.5 | 109.6 | 173.2 | -79.1 | -29.3 | 0 | 0 | 0 | 110.5 | Q21 L25 | Q21-D23 PolarHBondContact O-N 3.21Å; Q21-D23 VanDerWaalsContact O-N 3.12Å; D23-L25 VanDerWaalsContact C-N 3.29Å; D23-L25 PolarHBondContact O-N 3.12Å |
| 24 | T | 29.6 | Very low | 30.3 | Very low | 128 Ų | 128 | 148.9 Ų | 148.9 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | | | trans | -81.3 | 72 | -172.5 | -56.1 | 0 | 0 | 0 | 0 | 110.4 | N22 S26 | N22-T24 PolarHBondContact O-N 3.35Å; N22-T24 PolarHBondContact O-OG1 3.47Å; T24-S26 PolarHBondContact O-N 2.83Å |
| 25 | L | 31.3 | Very low | 30 | Very low | 167 Ų | 167 | 151.1 Ų | 151.1 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | | | trans | -78.1 | 106.3 | 174.7 | -77.6 | 173.7 | 0 | 0 | 0 | 111.1 | D23 | D23-L25 VanDerWaalsContact C-N 3.29Å; D23-L25 PolarHBondContact O-N 3.12Å |
| 26 | S | 30.9 | Very low | 29.7 | Very low | 95 Ų | 95 | 149.5 Ų | 149.5 | 66% | 0.664 | 80% | 0.796 | S | S | * | * | | | trans | -72.2 | 136.9 | 179.7 | -70 | 0 | 0 | 0 | 0 | 113 | T24 T28 | T24-S26 PolarHBondContact O-N 2.83Å; S26-T28 PolarHBondContact O-N 2.92Å; S26-T28 VanDerWaalsContact O-N 3.1Å; S26-T28 PolarHBondContact O-OG1 3.01Å |
| 27 | N | 28.2 | Very low | 29.4 | Very low | 169 Ų | 169 | 146.6 Ų | 146.6 | 90% | 0.904 | 79% | 0.794 | S | S | * | * | | | trans | -3.7 | 93 | 158.9 | -65.7 | -37 | 0 | 0 | 0 | 116.7 | | |
| 28 | T | 28.3 | Very low | 29.1 | Very low | 126 Ų | 126 | 144.6 Ų | 144.6 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | | | trans | -134.4 | 136.5 | 156 | -41 | 0 | 0 | 0 | 0 | 108.3 | S26 | S26-T28 PolarHBondContact O-N 2.92Å; S26-T28 VanDerWaalsContact O-N 3.1Å; S26-T28 PolarHBondContact O-OG1 3.01Å |
| 29 | L | 27.8 | Very low | 28.9 | Very low | 161 Ų | 161 | 141.2 Ų | 141.2 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | | | trans | 69.9 | 77.8 | 179.5 | -54.1 | 173.5 | 0 | 0 | 0 | 116.9 | | |
| 30 | K | 28 | Very low | 28.7 | Very low | 200 Ų | 200 | 136.2 Ų | 136.2 | 87% | 0.87 | 79% | 0.788 | S | S | * | * | | | trans | -59.3 | 150.5 | 130.6 | -72.1 | 176.3 | 176.3 | 175.7 | 0 | 108.4 | | |
| 31 | S | 27.4 | Very low | 28.5 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | | | trans | 96.4 | 64.7 | 171.1 | -37.8 | 0 | 0 | 0 | 0 | 117.8 | | |
| 32 | S | 25.9 | Very low | 28.3 | Very low | 109 Ų | 109 | 129.4 Ų | 129.4 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | | | trans | -160.6 | 49.3 | 147.3 | 67.6 | 0 | 0 | 0 | 0 | 112.8 | S34 | S32-S34 PolarHBondContact O-N 3.47Š|
| 33 | S | 26.9 | Very low | 28.4 | Very low | 100 Ų | 100 | 131.3 Ų | 131.3 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | | | trans | -75.7 | 74.3 | 166 | 58.8 | 0 | 0 | 0 | 0 | 109.5 | F35 | S33-F35 PolarHBondContact O-N 3.45Š|
| 34 | S | 27.6 | Very low | 28.5 | Very low | 112 Ų | 112 | 130.4 Ų | 130.4 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | | | trans | -68.8 | 81.6 | 168.4 | -57.6 | 0 | 0 | 0 | 0 | 108.1 | S32 S36 | S32-S34 PolarHBondContact O-N 3.47Å; S34-S36 PolarHBondContact O-N 3.2Å |
| 35 | F | 28.1 | Very low | 29 | Very low | 175 Ų | 175 | 132 Ų | 132 | 77% | 0.768 | 77% | 0.767 | S | S | * | * | | | trans | -56.7 | 112.4 | 166.3 | -81.1 | -86.9 | 0 | 0 | 0 | 107.1 | S33 S37 | S33-F35 PolarHBondContact O-N 3.45Å; F35-S37 PolarHBondContact O-N 3.34Å |
| 36 | S | 26.6 | Very low | 29.4 | Very low | 115 Ų | 115 | 130.8 Ų | 130.8 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | | | trans | -65.4 | 89.8 | 168 | 176.7 | 0 | 0 | 0 | 0 | 107.2 | S34 T38 | S34-S36 PolarHBondContact O-N 3.2Å; S36-T38 PolarHBondContact O-N 3.27Å |
| 37 | S | 26.6 | Very low | 29.7 | Very low | 106 Ų | 106 | 132.7 Ų | 132.7 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | | | trans | -59.2 | 98.9 | 174.6 | -62.5 | 0 | 0 | 0 | 0 | 108.8 | F35 S39 | F35-S37 PolarHBondContact O-N 3.34Å; S37-S39 PolarHBondContact O-N 3.17Å |
| 38 | T | 25.6 | Very low | 30.3 | Very low | 128 Ų | 128 | 131.7 Ų | 131.7 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | | | trans | -56.5 | 106.1 | 160.2 | -49.9 | 0 | 0 | 0 | 0 | 106.1 | S36 C40 | S36-T38 PolarHBondContact O-N 3.27Å; T38-C40 PolarHBondContact O-N 2.85Å |
| 39 | S | 27.3 | Very low | 30.8 | Very low | 94 Ų | 94 | 133.5 Ų | 133.5 | 66% | 0.657 | 76% | 0.763 | S | S | * | * | | | trans | -63.5 | 99.8 | -179 | 54.6 | 0 | 0 | 0 | 0 | 108.4 | S37 I41 | S37-S39 PolarHBondContact O-N 3.17Å; S39-I41 PolarHBondContact O-N 2.83Å |
| 40 | C | 25 | Very low | 31.5 | Very low | 126 Ų | 126 | 132.6 Ų | 132.6 | 85% | 0.851 | 76% | 0.759 | S | S | * | * | | | trans | -65 | 90.2 | 158.4 | 23.9 | 0 | 0 | 0 | 0 | 105.9 | T38 A42 | T38-C40 PolarHBondContact O-N 2.85Å; C40-A42 PolarHBondContact O-N 2.87Å |
| 41 | I | 29.3 | Very low | 31.8 | Very low | 122 Ų | 122 | 130.2 Ų | 130.2 | 63% | 0.626 | 75% | 0.751 | S | S | * | * | | | trans | -63.1 | 99.2 | 161.5 | -60.7 | 172.6 | 0 | 0 | 0 | 104.2 | S39 Y43 | S39-I41 PolarHBondContact O-N 2.83Å; I41-Y43 PolarHBondContact O-N 2.93Å |
| 42 | A | 29.4 | Very low | 32.1 | Very low | 71 Ų | 71 | 130.2 Ų | 130.2 | 59% | 0.587 | 75% | 0.745 | S | S | * | * | | | trans | -56.6 | 120.1 | 156.1 | 0 | 0 | 0 | 0 | 0 | 105.2 | C40 D44 | C40-A42 PolarHBondContact O-N 2.87Å; A42-D44 PolarHBondContact O-N 3.48Å |
| 43 | Y | 32.5 | Very low | 32.5 | Very low | 188 Ų | 188 | 133.7 Ų | 133.7 | 74% | 0.737 | 74% | 0.742 | S | S | * | * | | | trans | -71.9 | 107.6 | 160.3 | -73.2 | -90.9 | 0 | 0 | 0 | 104.2 | I41 D45 | I41-Y43 PolarHBondContact O-N 2.93Å; Y43-D45 PolarHBondContact O-N 2.8Å |
| 44 | D | 36.7 | Very low | 32.8 | Very low | 125 Ų | 125 | 135.5 Ų | 135.5 | 67% | 0.668 | 74% | 0.742 | S | S | * | * | | | trans | -58.5 | 121.1 | 165.4 | -61.2 | -51.7 | 0 | 0 | 0 | 106.1 | A42 D46 | A42-D44 PolarHBondContact O-N 3.48Å; D44-D46 PolarHBondContact O-N 3.43Å |
| 45 | D | 38.7 | Very low | 33 | Very low | 162 Ų | 162 | 138.9 Ų | 138.9 | 87% | 0.866 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -71.1 | 13.2 | -179 | -79.3 | -43.7 | 0 | 0 | 0 | 112.3 | Y43 N47 | Y43-D45 PolarHBondContact O-N 2.8Å; D45-N47 VanDerWaalsContact C-N 3.29Å; D45-N47 PolarHBondContact O-N 3.3Å |
| 46 | D | 40.5 | Very low | 33.3 | Very low | 140 Ų | 140 | 137.8 Ų | 137.8 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | | | trans | -90 | 24.7 | 178.8 | -62.3 | -23.8 | 0 | 0 | 0 | 112.6 | D44 D48 | D44-D46 PolarHBondContact O-N 3.43Å; D46-D48 PolarHBondContact O-N 3.5Å |
| 47 | N | 36.9 | Very low | 33.7 | Very low | 136 Ų | 136 | 138.5 Ų | 138.5 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | | | trans | -73 | 85.7 | 158.6 | -92.3 | -46.4 | 0 | 0 | 0 | 107.8 | D45 L49 | D45-N47 VanDerWaalsContact C-N 3.29Å; D45-N47 PolarHBondContact O-N 3.3Å; N47-L49 PolarHBondContact O-N 3.23Å |
| 48 | D | 42.3 | Very low | 34.2 | Very low | 148 Ų | 148 | 141.6 Ų | 141.6 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | | | trans | -39.9 | 109 | 157 | -78.9 | -43.7 | 0 | 0 | 0 | 108 | D46 D50 | D46-D48 PolarHBondContact O-N 3.5Å; D48-D50 PolarHBondContact O-N 3.45Å |
| 49 | L | 38.8 | Very low | 34.6 | Very low | 163 Ų | 163 | 140.5 Ų | 140.5 | 85% | 0.853 | 73% | 0.729 | S | S | * | * | | | trans | -71.6 | 82.6 | 171.1 | -73.7 | 173.3 | 0 | 0 | 0 | 106.7 | N47 E51 | N47-L49 PolarHBondContact O-N 3.23Å; L49-E51 PolarHBondContact O-N 2.82Å |
| 50 | D | 40.6 | Very low | 35 | Very low | 142 Ų | 142 | 143.7 Ų | 143.7 | 76% | 0.759 | 73% | 0.734 | S | S | * | * | | | trans | -41 | 113 | 163.8 | -98.3 | -30.6 | 0 | 0 | 0 | 107.1 | D48 V52 | D48-D50 PolarHBondContact O-N 3.45Å; D50-V52 PolarHBondContact O-N 3.33Å |
| 51 | E | 34.5 | Very low | 35.4 | Very low | 151 Ų | 151 | 145.2 Ų | 145.2 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | | | trans | -64.8 | 88 | 178.8 | -73.4 | -172.5 | 142.5 | 0 | 0 | 108.4 | L49 R53 | L49-E51 PolarHBondContact O-N 2.82Å; E51-R53 PolarHBondContact O-N 2.92Å; E51-R53 IonicContact OE2-NH2 3.6Å |
| 52 | V | 34.9 | Very low | 35.7 | Very low | 121 Ų | 121 | 146.8 Ų | 146.8 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | | | trans | -66.3 | 85.1 | 170.5 | -178.2 | 0 | 0 | 0 | 0 | 106.7 | D50 I54 | D50-V52 PolarHBondContact O-N 3.33Å; V52-I54 HydrophobicContact CG1-CG1 4.3Å; V52-I54 PolarHBondContact O-N 3.38Å |
| 53 | R | 32.8 | Very low | 36 | Very low | 182 Ų | 182 | 148.9 Ų | 148.9 | 69% | 0.687 | 74% | 0.743 | S | S | * | * | | | trans | -61.1 | 92.2 | 168.7 | -78.6 | 174.8 | -119.2 | -155.7 | -10.2 | 107.2 | E51 F55 | E51-R53 PolarHBondContact O-N 2.92Å; E51-R53 IonicContact OE2-NH2 3.6Å; R53-F55 VanDerWaalsContact C-N 3.29Å; R53-F55 HydrophobicContact CB-CE2 4.4Å; R53-F55 WeakPolarHBondContact O-CD2 3.25Å; R53-F55 PolarHBondContact O-N 3.25Å |
| 54 | I | 33.7 | Very low | 36.1 | Very low | 138 Ų | 138 | 145 Ų | 145 | 71% | 0.708 | 74% | 0.738 | S | S | * | * | | | trans | -65.6 | 97.3 | 170.3 | -59.4 | 177.6 | 0 | 0 | 0 | 106.1 | V52 L56 | V52-I54 HydrophobicContact CG1-CG1 4.3Å; V52-I54 PolarHBondContact O-N 3.38Å; I54-L56 VanDerWaalsContact C-N 3.32Å; I54-L56 PolarHBondContact O-N 3.4Å |
| 55 | F | 33.2 | Very low | 36.2 | Very low | 184 Ų | 184 | 145.8 Ų | 145.8 | 81% | 0.807 | 74% | 0.743 | S | S | * | * | | | trans | -60.3 | 99 | 167.7 | -69.7 | -90.3 | 0 | 0 | 0 | 107.6 | R53 N57 | R53-F55 VanDerWaalsContact C-N 3.29Å; R53-F55 HydrophobicContact CB-CE2 4.4Å; R53-F55 WeakPolarHBondContact O-CD2 3.25Å; R53-F55 PolarHBondContact O-N 3.25Å; F55-N57 PolarHBondContact O-N 3.14Å |
| 56 | L | 34.4 | Very low | 36.1 | Very low | 152 Ų | 152 | 144.5 Ų | 144.5 | 80% | 0.796 | 74% | 0.736 | S | S | * | * | | | trans | -63.6 | 93.5 | 166.9 | -75.8 | 171.8 | 0 | 0 | 0 | 107 | I54 K58 | I54-L56 VanDerWaalsContact C-N 3.32Å; I54-L56 PolarHBondContact O-N 3.4Å; L56-K58 VanDerWaalsContact C-N 3.3Å; L56-K58 PolarHBondContact O-N 3.41Å |
| 57 | N | 34.1 | Very low | 35.9 | Very low | 130 Ų | 130 | 146.3 Ų | 146.3 | 70% | 0.695 | 74% | 0.74 | S | S | * | * | | | trans | -68.8 | 91.9 | 179.7 | -162.3 | 30 | 0 | 0 | 0 | 108.1 | F55 N59 | F55-N57 PolarHBondContact O-N 3.14Å; N57-N59 PolarHBondContact O-N 3.47Å |
| 58 | K | 36.2 | Very low | 35.7 | Very low | 171 Ų | 171 | 147 Ų | 147 | 74% | 0.743 | 74% | 0.744 | S | S | * | * | | | trans | -70.2 | 70.2 | 175.8 | -70.2 | -169.8 | 176.1 | -168.4 | 0 | 110 | L56 E60 | L56-K58 VanDerWaalsContact C-N 3.3Å; L56-K58 PolarHBondContact O-N 3.41Å; K58-E60 PolarHBondContact O-N 3Å |
| 59 | N | 35.6 | Very low | 35.3 | Very low | 105 Ų | 105 | 144.8 Ų | 144.8 | 56% | 0.561 | 75% | 0.746 | S | S | * | * | | | trans | -77.8 | 82.3 | 156.9 | -73.2 | 11.8 | 0 | 0 | 0 | 106.6 | N57 H61 | N57-N59 PolarHBondContact O-N 3.47Å; N59-H61 VanDerWaalsContact C-N 3.27Å; N59-H61 PolarHBondContact O-N 3.21Å |
| 60 | E | 34.1 | Very low | 35.1 | Very low | 161 Ų | 161 | 143.1 Ų | 143.1 | 75% | 0.752 | 74% | 0.743 | S | S | * | * | | | trans | -59.5 | 97.9 | 159.1 | -77.7 | 167.8 | 164.6 | 0 | 0 | 106.6 | K58 D62 | K58-E60 PolarHBondContact O-N 3Å; E60-D62 PolarHBondContact O-N 3.2Å |
| 61 | H | 34.8 | Very low | 34.5 | Very low | 157 Ų | 157 | 141.4 Ų | 141.4 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | | | trans | -82.8 | 103.9 | 162.9 | -83.3 | -69.6 | 0 | 0 | 0 | 106.4 | N59 V63 | N59-H61 VanDerWaalsContact C-N 3.27Å; N59-H61 PolarHBondContact O-N 3.21Å; H61-V63 VanDerWaalsContact C-N 3.32Å; H61-V63 PolarHBondContact O-N 3.48Å |
| 62 | D | 34.8 | Very low | 34.4 | Very low | 155 Ų | 155 | 145 Ų | 145 | 83% | 0.829 | 75% | 0.75 | S | S | * | * | | | trans | -54.4 | 99.4 | 162.8 | -70.4 | -44.4 | 0 | 0 | 0 | 108.4 | E60 | E60-D62 PolarHBondContact O-N 3.2Š|
| 63 | V | 35.9 | Very low | 34.1 | Very low | 115 Ų | 115 | 147.5 Ų | 147.5 | 70% | 0.697 | 75% | 0.754 | S | S | * | * | | | trans | -98.2 | 96.9 | 162.5 | -179.2 | 0 | 0 | 0 | 0 | 105 | H61 D65 | H61-V63 VanDerWaalsContact C-N 3.32Å; H61-V63 PolarHBondContact O-N 3.48Å; V63-D65 PolarHBondContact O-N 3.42Å; V63-D65 VanDerWaalsContact O-N 3.12Å |
| 64 | T | 35.3 | Very low | 34.2 | Very low | 106 Ų | 106 | 146.9 Ų | 146.9 | 65% | 0.65 | 76% | 0.764 | S | S | * | * | | | trans | -61.1 | 108.5 | 167.1 | 40.9 | 0 | 0 | 0 | 0 | 108.3 | D66 | T64-D66 PolarHBondContact O-N 3.46Š|
| 65 | D | 38.5 | Very low | 33.8 | Very low | 142 Ų | 142 | 145.9 Ų | 145.9 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | | | trans | -69.6 | 86.9 | 165.4 | -83.1 | -32.4 | 0 | 0 | 0 | 108 | V63 Q67 | V63-D65 PolarHBondContact O-N 3.42Å; V63-D65 VanDerWaalsContact O-N 3.12Å; D65-Q67 PolarHBondContact O-N 2.89Å |
| 66 | D | 35.8 | Very low | 33.9 | Very low | 136 Ų | 136 | 146.6 Ų | 146.6 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | trans | -65.8 | 80.5 | 167.3 | -68.9 | -41.7 | 0 | 0 | 0 | 108.8 | T64 D68 | T64-D66 PolarHBondContact O-N 3.46Å; D66-D68 PolarHBondContact O-N 3.09Å |
| 67 | Q | 36.5 | Very low | 33.5 | Very low | 177 Ų | 177 | 148.3 Ų | 148.3 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | | | trans | -78.6 | 100.1 | 169.6 | -76.2 | -158 | -10.5 | 0 | 0 | 110 | D65 A69 | D65-Q67 PolarHBondContact O-N 2.89Å; Q67-A69 PolarHBondContact O-N 2.87Å |
| 68 | D | 32.7 | Very low | 33.5 | Very low | 151 Ų | 151 | 150.4 Ų | 150.4 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | | | trans | -52.7 | 107.5 | 167.6 | -76.8 | -46.4 | 0 | 0 | 0 | 110.9 | D66 T70 | D66-D68 PolarHBondContact O-N 3.09Å; D68-T70 PolarHBondContact O-N 3.19Å |
| 69 | A | 33.1 | Very low | 33.1 | Very low | 102 Ų | 102 | 147 Ų | 147 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | | | trans | -75.8 | 85.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q67 S71 | Q67-A69 PolarHBondContact O-N 2.87Å; A69-S71 PolarHBondContact O-N 2.79Å |
| 70 | T | 35.3 | Very low | 32.7 | Very low | 128 Ų | 128 | 147.6 Ų | 147.6 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | trans | -74.5 | 107.4 | 166.8 | 55 | 0 | 0 | 0 | 0 | 110 | D68 | D68-T70 PolarHBondContact O-N 3.19Š|
| 71 | S | 29 | Very low | 32.6 | Very low | 106 Ų | 106 | 150 Ų | 150 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | | | trans | -34 | 127.8 | 170.8 | 52.3 | 0 | 0 | 0 | 0 | 115 | A69 | A69-S71 PolarHBondContact O-N 2.79Š|
| 72 | Y | 31 | Very low | 32.2 | Very low | 225 Ų | 225 | 147.2 Ų | 147.2 | 88% | 0.882 | 81% | 0.806 | S | S | * | * | | | trans | -126 | 118.6 | 150.4 | -141.4 | -91.2 | 0 | 0 | 0 | 108.2 | L74 | Y72-L74 PolarHBondContact O-N 2.96Š|
| 73 | E | 28.8 | Very low | 32.1 | Very low | 174 Ų | 174 | 146.9 Ų | 146.9 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | | | trans | -76.2 | 119.4 | -175.4 | -63 | 174.1 | 139.9 | 0 | 0 | 110.2 | | |
| 74 | L | 34.3 | Very low | 31.6 | Very low | 170 Ų | 170 | 151.6 Ų | 151.6 | 89% | 0.89 | 81% | 0.809 | S | S | * | * | | | trans | -133.8 | 100.2 | 156.5 | -85.3 | 174.2 | 0 | 0 | 0 | 107.8 | Y72 | Y72-L74 PolarHBondContact O-N 2.96Š|
| 75 | S | 26.4 | Very low | 31.4 | Very low | 116 Ų | 116 | 156.9 Ų | 156.9 | 81% | 0.811 | 82% | 0.817 | S | S | * | * | | | trans | -82 | 119.1 | 173.5 | -61.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 76 | E | 34.3 | Very low | 30.7 | Very low | 199 Ų | 199 | 156.3 Ų | 156.3 | 93% | 0.93 | 81% | 0.814 | S | S | * | * | | | trans | -153.3 | 120.2 | 149 | -117.7 | 171.3 | -149.1 | 0 | 0 | 109.3 | | |
| 77 | E | 27.6 | Very low | 30.5 | Very low | 188 Ų | 188 | 156 Ų | 156 | 88% | 0.879 | 82% | 0.822 | S | S | * | * | | | trans | -88.9 | 122 | -171.1 | -57.3 | 173 | 111 | 0 | 0 | 111.4 | | |
| 78 | L | 34.1 | Very low | 29.9 | Very low | 175 Ų | 175 | 152.8 Ų | 152.8 | 92% | 0.916 | 82% | 0.82 | S | S | * | * | | | trans | -146.5 | 84.7 | 155.2 | -82.7 | -170.9 | 0 | 0 | 0 | 113.9 | | |
| 79 | S | 27.1 | Very low | 29.8 | Very low | 99 Ų | 99 | 153.7 Ų | 153.7 | 69% | 0.692 | 82% | 0.823 | S | S | * | * | | | trans | 42 | 111 | 135 | -153.4 | 0 | 0 | 0 | 0 | 122.3 | | |
| 80 | T | 27.6 | Very low | 29.5 | Very low | 117 Ų | 117 | 153.9 Ų | 153.9 | 72% | 0.718 | 82% | 0.819 | S | S | * | * | | | trans | 55.2 | 113.6 | 133.6 | 64.6 | 0 | 0 | 0 | 0 | 121.4 | | |
| 81 | K | 32.2 | Very low | 29 | Very low | 211 Ų | 211 | 156.5 Ų | 156.5 | 92% | 0.917 | 83% | 0.827 | S | S | * | * | | | | -170.8 | 118.1 | 99.4 | -101.6 | 167.1 | -175.6 | 172.1 | 0 | 111.6 | | |
| 82 | A | 26.9 | Very low | 29 | Very low | 99 Ų | 99 | 157.1 Ų | 157.1 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | | | trans | -94.7 | 141.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 83 | L | 32.6 | Very low | 28.6 | Very low | 148 Ų | 148 | 151.4 Ų | 151.4 | 78% | 0.775 | 82% | 0.824 | S | S | * | * | | | trans | -139.6 | 93.2 | 160.5 | -154.5 | 80.2 | 0 | 0 | 0 | 110.9 | | |
| 84 | R | 25 | Very low | 28.5 | Very low | 215 Ų | 215 | 150.8 Ų | 150.8 | 81% | 0.811 | 83% | 0.826 | S | S | * | * | | | trans | -64.7 | 139 | 170.2 | -92 | 176 | 168.7 | 162.9 | -3.9 | 110.6 | | |
| 85 | R | 29.8 | Very low | 28 | Very low | 217 Ų | 217 | 148.1 Ų | 148.1 | 82% | 0.819 | 82% | 0.821 | S | S | * | * | | | trans | -136.1 | 112.5 | 144.9 | -74.4 | -165.2 | 176.4 | 92.7 | -0.1 | 109.4 | | |
| 86 | N | 25 | Very low | 28 | Very low | 129 Ų | 129 | 148.4 Ų | 148.4 | 69% | 0.69 | 82% | 0.823 | S | S | * | * | | | trans | -93.4 | 141.5 | 170.7 | -62.8 | -10.3 | 0 | 0 | 0 | 108.4 | | |
| 87 | S | 30.7 | Very low | 27.5 | Very low | 129 Ų | 129 | 143.7 Ų | 143.7 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | | | trans | -153.2 | 106.8 | 165.5 | -66.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 88 | S | 24.9 | Very low | 27.1 | Very low | 110 Ų | 110 | 140.9 Ų | 140.9 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | | | trans | -118.1 | 117.5 | -177.7 | 52.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 89 | L | 30 | Very low | 26.9 | Very low | 170 Ų | 170 | 138.3 Ų | 138.3 | 89% | 0.89 | 81% | 0.809 | S | S | * | * | | | trans | -143.2 | 94.6 | 170.3 | -84.1 | 164.5 | 0 | 0 | 0 | 106.9 | | |
| 90 | S | 28 | Very low | 26.7 | Very low | 106 Ų | 106 | 139.9 Ų | 139.9 | 74% | 0.741 | 81% | 0.814 | S | S | * | * | | | | 76.5 | 88.1 | 82 | -66.4 | 0 | 0 | 0 | 0 | 113.4 | | |
| 91 | L | 23.8 | Very low | 26.9 | Very low | 183 Ų | 183 | 142.1 Ų | 142.1 | 96% | 0.958 | 82% | 0.821 | S | S | * | * | | | trans | -66.8 | 142.2 | 163.9 | -75.9 | 156 | 0 | 0 | 0 | 110.4 | | |
| 92 | S | 29.1 | Very low | 26.6 | Very low | 120 Ų | 120 | 137.2 Ų | 137.2 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | | | trans | -128.2 | 155 | 166.3 | 49.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 93 | S | 22.9 | Very low | 26.7 | Very low | 105 Ų | 105 | 141.6 Ų | 141.6 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | | | trans | -124.7 | -166.2 | -154.1 | 52 | 0 | 0 | 0 | 0 | 112.5 | | |
| 94 | L | 27.3 | Very low | 26.3 | Very low | 160 Ų | 160 | 139.6 Ų | 139.6 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | | | trans | 88.2 | 118 | 176.8 | -48.6 | 158.6 | 0 | 0 | 0 | 113.3 | | |
| 95 | S | 23.1 | Very low | 26.6 | Very low | 114 Ų | 114 | 138.9 Ų | 138.9 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | | | cis | 74.7 | 108.1 | 43 | -166.6 | 0 | 0 | 0 | 0 | 114.9 | | |
| 96 | S | 27.1 | Very low | 26.4 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | | | trans | -168.9 | 162.3 | 142.6 | -166.3 | 0 | 0 | 0 | 0 | 111 | | |
| 97 | S | 22.6 | Very low | 26.4 | Very low | 101 Ų | 101 | 142.2 Ų | 142.2 | 71% | 0.706 | 83% | 0.825 | S | S | * | * | | | trans | -126.8 | 158.9 | -165.4 | -52.5 | 0 | 0 | 0 | 0 | 114.2 | | |
| 98 | C | 19.9 | Very low | 26.1 | Very low | 129 Ų | 129 | 141.1 Ų | 141.1 | 87% | 0.872 | 82% | 0.817 | S | S | * | * | | | trans | 38.7 | 122.2 | 149.2 | -59.8 | 0 | 0 | 0 | 0 | 121.1 | | |
| 99 | S | 30.1 | Very low | 26.2 | Very low | 121 Ų | 121 | 142.5 Ų | 142.5 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | | | trans | -150.7 | 141.4 | 142.6 | 46.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 100 | V | 23.2 | Very low | 26.1 | Very low | 131 Ų | 131 | 143.1 Ų | 143.1 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | | | trans | -104.1 | 135.7 | 179.8 | 171.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 101 | L | 31.6 | Very low | 25.8 | Very low | 165 Ų | 165 | 143.5 Ų | 143.5 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | | | trans | -132.8 | 109 | 169.6 | -84.8 | 172.2 | 0 | 0 | 0 | 111.5 | | |
| 102 | S | 25.1 | Very low | 26.1 | Very low | 108 Ų | 108 | 141.4 Ų | 141.4 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | | | trans | -92.1 | 126.9 | 171.7 | -45.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 103 | K | 29.7 | Very low | 25.9 | Very low | 190 Ų | 190 | 140.8 Ų | 140.8 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | | | trans | -136.4 | 114.1 | 163.1 | -77 | -169.8 | 177.6 | 178.3 | 0 | 110.7 | | |
| 104 | S | 24.2 | Very low | 26.2 | Very low | 106 Ų | 106 | 143.3 Ų | 143.3 | 74% | 0.741 | 81% | 0.811 | S | S | * | * | | | trans | -87 | 136.6 | 173.8 | 52.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 105 | F | 30 | Very low | 26 | Very low | 201 Ų | 201 | 146.9 Ų | 146.9 | 88% | 0.882 | 81% | 0.813 | S | S | * | * | | | trans | -131 | 112.1 | 158.7 | -86.7 | -76.6 | 0 | 0 | 0 | 110 | | |
| 106 | H | 26 | Very low | 26.3 | Very low | 181 Ų | 181 | 147.2 Ų | 147.2 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | | | trans | -88.2 | 132 | 166.2 | -93.7 | -71.8 | 0 | 0 | 0 | 109.5 | | |
| 107 | R | 24.2 | Very low | 26.2 | Very low | 235 Ų | 235 | 147.2 Ų | 147.2 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | | | trans | -151.7 | 125.8 | 147.7 | -153.7 | 171.8 | -168.5 | 168.8 | 3.6 | 111 | | |
| 108 | S | 25.5 | Very low | 26.6 | Very low | 105 Ų | 105 | 148.6 Ų | 148.6 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | | | trans | -129.1 | 117 | -178.4 | 40.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 109 | I | 27.2 | Very low | 27.1 | Very low | 140 Ų | 140 | 148.3 Ų | 148.3 | 72% | 0.718 | 81% | 0.812 | S | S | * | * | | | trans | -138 | 111.6 | 165.9 | -59.1 | -175.7 | 0 | 0 | 0 | 110.2 | | |
| 110 | Q | 27.5 | Very low | 26.8 | Very low | 183 Ų | 183 | 148 Ų | 148 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | | | trans | 16 | 142.9 | 148.7 | -68.8 | 170.1 | -21.9 | 0 | 0 | 123.2 | | |
| 111 | S | 22.8 | Very low | 27.2 | Very low | 114 Ų | 114 | 153 Ų | 153 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | | | trans | -64.9 | 144.7 | 165.4 | 52.3 | 0 | 0 | 0 | 0 | 115.2 | | |
| 112 | T | 29.1 | Very low | 26.9 | Very low | 139 Ų | 139 | 151.9 Ų | 151.9 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | | | trans | -113.5 | 120.7 | 156.3 | 48.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 113 | S | 23.9 | Very low | 27.3 | Very low | 107 Ų | 107 | 154.1 Ų | 154.1 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | | | trans | -81.6 | 130.9 | 171.1 | -178 | 0 | 0 | 0 | 0 | 109.9 | | |
| 114 | L | 30 | Very low | 27.2 | Very low | 157 Ų | 157 | 151.3 Ų | 151.3 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | | | trans | -128.7 | 107.9 | 160 | -130.2 | 83.4 | 0 | 0 | 0 | 109.6 | | |
| 115 | R | 23.1 | Very low | 27.2 | Very low | 236 Ų | 236 | 156.4 Ų | 156.4 | 89% | 0.891 | 81% | 0.813 | S | S | * | * | | | trans | -76 | 122.3 | 163.2 | -85.6 | 176.8 | 163.5 | 177.9 | -5.2 | 108.4 | | |
| 116 | T | 30.4 | Very low | 27.4 | Very low | 121 Ų | 121 | 152.9 Ų | 152.9 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | | | trans | -133.2 | 97.5 | 153.6 | 50.5 | 0 | 0 | 0 | 0 | 109.2 | | |
| 117 | S | 24.7 | Very low | 27.4 | Very low | 121 Ų | 121 | 151 Ų | 151 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | | | trans | -77.9 | 121.2 | 166 | 49.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 118 | T | 30.7 | Very low | 27.6 | Very low | 131 Ų | 131 | 146.1 Ų | 146.1 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | trans | -128.8 | 138.2 | 162.3 | 28.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 119 | P | 29.6 | Very low | 27.9 | Very low | 123 Ų | 123 | 150.7 Ų | 150.7 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | | | trans | -90.1 | 169.2 | -160.1 | -5.4 | 26.6 | 0 | 0 | 0 | 113.2 | | |
| 120 | C | 25 | Very low | 27.9 | Very low | 115 Ų | 115 | 150.4 Ų | 150.4 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | | | trans | -48.7 | 136.4 | 173.2 | -55.3 | 0 | 0 | 0 | 0 | 112.3 | | |
| 121 | R | 29.9 | Very low | 28.2 | Very low | 234 Ų | 234 | 148.6 Ų | 148.6 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | | | trans | -97 | 107.1 | 156.1 | -83.4 | -172.1 | 173.9 | -179 | -1 | 108.4 | I123 | R121-I123 PolarHBondContact O-N 3.46Š|
| 122 | D | 27.2 | Very low | 28.5 | Very low | 142 Ų | 142 | 148.9 Ų | 148.9 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | | | trans | -63.8 | 114.4 | 164.6 | -58.3 | -54.1 | 0 | 0 | 0 | 108.6 | | |
| 123 | I | 33.3 | Very low | 28.5 | Very low | 155 Ų | 155 | 152.7 Ų | 152.7 | 80% | 0.795 | 79% | 0.794 | S | S | * | * | | | trans | -98.3 | 109.4 | 168 | -61.5 | -178.1 | 0 | 0 | 0 | 106.8 | R121 | R121-I123 PolarHBondContact O-N 3.46Š|
| 124 | N | 26.2 | Very low | 28.8 | Very low | 132 Ų | 132 | 152.9 Ų | 152.9 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | | | trans | -57.6 | 139.6 | -173.2 | -71.6 | -53.9 | 0 | 0 | 0 | 113.1 | T126 | N124-T126 PolarHBondContact O-N 3.2Å; N124-T126 VanDerWaalsContact O-N 3.14Å |
| 125 | F | 26.1 | Very low | 28.7 | Very low | 213 Ų | 213 | 153.8 Ų | 153.8 | 93% | 0.934 | 79% | 0.793 | S | S | * | * | | | trans | -67 | 105.4 | 162.2 | -76.9 | -89.2 | 0 | 0 | 0 | 109.8 | | |
| 126 | T | 32.9 | Very low | 29.1 | Very low | 126 Ų | 126 | 147.8 Ų | 147.8 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | | | trans | -101.8 | 99.5 | 169.6 | 53.3 | 0 | 0 | 0 | 0 | 111.1 | N124 | N124-T126 PolarHBondContact O-N 3.2Å; N124-T126 VanDerWaalsContact O-N 3.14Å |
| 127 | N | 27 | Very low | 29 | Very low | 141 Ų | 141 | 148.1 Ų | 148.1 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | | | trans | 19.1 | 138.3 | 146.8 | -65.1 | -19.8 | 0 | 0 | 0 | 121.3 | | |
| 128 | N | 28.3 | Very low | 29.2 | Very low | 134 Ų | 134 | 151.8 Ų | 151.8 | 72% | 0.717 | 79% | 0.787 | S | S | * | * | | | trans | 71.6 | 99.3 | 147.3 | -58.9 | -12.8 | 0 | 0 | 0 | 118.6 | | |
| 129 | K | 30.3 | Very low | 29 | Very low | 201 Ų | 201 | 154.1 Ų | 154.1 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | | | | -138.4 | 132.7 | 117.7 | -104.8 | 172.1 | -171.9 | -178.5 | 0 | 110.3 | | |
| 130 | I | 28.3 | Very low | 29 | Very low | 133 Ų | 133 | 155.4 Ų | 155.4 | 68% | 0.682 | 79% | 0.787 | S | S | * | * | | | trans | -105.4 | 108.7 | -176.4 | -63.9 | 163.5 | 0 | 0 | 0 | 106.4 | T132 | I130-T132 WeakPolarHBondContact CG2-OG1 3.37Š|
| 131 | D | 34.3 | Very low | 29.2 | Very low | 146 Ų | 146 | 155.8 Ų | 155.8 | 78% | 0.781 | 79% | 0.788 | S | S | * | * | | | trans | -115.6 | 91.5 | 167.4 | -78.2 | -51.8 | 0 | 0 | 0 | 109 | Y133 | D131-Y133 PolarHBondContact O-N 3.02Å; D131-Y133 VanDerWaalsContact O-N 3.14Å |
| 132 | T | 28.9 | Very low | 29.1 | Very low | 120 Ų | 120 | 150.5 Ų | 150.5 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | | | trans | -72.1 | 98.8 | -179.2 | -56.1 | 0 | 0 | 0 | 0 | 110.6 | I130 | I130-T132 WeakPolarHBondContact CG2-OG1 3.37Š|
| 133 | Y | 28.6 | Very low | 28.9 | Very low | 218 Ų | 218 | 154.7 Ų | 154.7 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 129.5 | 167.2 | -102 | -92.2 | 0 | 0 | 0 | 110.9 | D131 H135 | D131-Y133 PolarHBondContact O-N 3.02Å; D131-Y133 VanDerWaalsContact O-N 3.14Å; Y133-H135 PolarHBondContact O-N 3.41Å |
| 134 | P | 30.6 | Very low | 28.7 | Very low | 111 Ų | 111 | 158.6 Ų | 158.6 | 72% | 0.721 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 129.6 | -173.5 | 27.5 | -34.2 | 0 | 0 | 0 | 112.3 | | |
| 135 | H | 26.4 | Very low | 28.7 | Very low | 176 Ų | 176 | 158.1 Ų | 158.1 | 82% | 0.815 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 130.2 | 177 | -132.8 | -64 | 0 | 0 | 0 | 110.6 | Y133 T137 | Y133-H135 PolarHBondContact O-N 3.41Å; H135-T137 PolarHBondContact O-N 3.39Å |
| 136 | P | 32.3 | Very low | 28.8 | Very low | 111 Ų | 111 | 154.7 Ų | 154.7 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | | | trans | -69.7 | 115 | 176.2 | 25.3 | -32.6 | 0 | 0 | 0 | 111.2 | K138 | P136-K138 PolarHBondContact O-N 2.95Š|
| 137 | T | 28.6 | Very low | 28.4 | Very low | 128 Ų | 128 | 154 Ų | 154 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | | | trans | -69.2 | 121.4 | -177.8 | -46.4 | 0 | 0 | 0 | 0 | 111.5 | H135 Q139 | H135-T137 PolarHBondContact O-N 3.39Å; T137-Q139 PolarHBondContact O-N 2.72Å |
| 138 | K | 27.9 | Very low | 28.3 | Very low | 197 Ų | 197 | 153.4 Ų | 153.4 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | | | trans | -69 | 93.4 | 173.4 | -65.5 | 176 | -179.2 | 174.7 | 0 | 110.5 | P136 I140 | P136-K138 PolarHBondContact O-N 2.95Å; K138-I140 PolarHBondContact O-N 3.29Å |
| 139 | Q | 27.1 | Very low | 28 | Very low | 181 Ų | 181 | 156.2 Ų | 156.2 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | | | trans | -78.2 | 113.3 | 165.6 | -69.9 | -164.7 | 17.6 | 0 | 0 | 109.9 | T137 | T137-Q139 PolarHBondContact O-N 2.72Š|
| 140 | I | 29.9 | Very low | 27.6 | Very low | 149 Ų | 149 | 150.5 Ų | 150.5 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | | | trans | -76.3 | 130.4 | 174.1 | -64.5 | 172.5 | 0 | 0 | 0 | 108.1 | K138 S142 | K138-I140 PolarHBondContact O-N 3.29Å; I140-S142 PolarHBondContact O-N 3.5Å; I140-S142 VanDerWaalsContact O-N 3.11Å |
| 141 | P | 29.7 | Very low | 27.4 | Very low | 123 Ų | 123 | 151.9 Ų | 151.9 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | | | trans | -61.4 | 115 | 179.6 | -23.6 | 33.9 | 0 | 0 | 0 | 111.7 | R143 | P141-R143 PolarHBondContact O-N 2.74Š|
| 142 | S | 26.5 | Very low | 26.8 | Very low | 123 Ų | 123 | 153.2 Ų | 153.2 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | | | trans | -76.9 | 123.8 | 180 | -154.7 | 0 | 0 | 0 | 0 | 110.9 | I140 R144 | I140-S142 PolarHBondContact O-N 3.5Å; I140-S142 VanDerWaalsContact O-N 3.11Å; S142-R144 PolarHBondContact O-N 3.03Å |
| 143 | R | 23.8 | Very low | 26.6 | Very low | 230 Ų | 230 | 153.5 Ų | 153.5 | 87% | 0.868 | 78% | 0.781 | S | S | * | * | | | trans | -65.6 | 93.6 | -177.7 | -177.2 | -168.6 | -124.7 | -150.8 | 0.6 | 110.7 | P141 V145 | P141-R143 PolarHBondContact O-N 2.74Å; R143-V145 PolarHBondContact O-N 3.23Å |
| 144 | R | 28.2 | Very low | 26.5 | Very low | 237 Ų | 237 | 151.3 Ų | 151.3 | 89% | 0.894 | 78% | 0.779 | S | S | * | * | | | trans | -72.5 | 112.9 | 174.6 | -173.2 | 172.6 | -80.7 | -175.2 | -4.9 | 110.3 | S142 | S142-R144 PolarHBondContact O-N 3.03Š|
| 145 | V | 26.2 | Very low | 26.3 | Very low | 122 Ų | 122 | 150.5 Ų | 150.5 | 74% | 0.739 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 136.6 | 175.8 | 175.4 | 0 | 0 | 0 | 0 | 109.8 | R143 | R143-V145 PolarHBondContact O-N 3.23Š|
| 146 | V | 28.1 | Very low | 26.3 | Very low | 141 Ų | 141 | 150.9 Ų | 150.9 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 119.1 | 172.1 | 178.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 147 | S | 25.7 | Very low | 25.9 | Very low | 111 Ų | 111 | 153.2 Ų | 153.2 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 137 | 176.7 | 55.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 148 | T | 24 | Very low | 26 | Very low | 130 Ų | 130 | 155.3 Ų | 155.3 | 80% | 0.798 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 139.5 | -178.1 | 49.1 | 0 | 0 | 0 | 0 | 114 | | |
| 149 | Q | 23.4 | Very low | 25.9 | Very low | 192 Ų | 192 | 151.8 Ų | 151.8 | 90% | 0.897 | 77% | 0.773 | S | S | * | * | | | trans | 165.9 | 154.5 | 151.8 | -98.5 | 171.9 | -19.3 | 0 | 0 | 108.4 | | |
| 150 | S | 21.4 | Very low | 26 | Very low | 81 Ų | 81 | 150 Ų | 150 | 57% | 0.566 | 77% | 0.768 | S | S | * | * | | | cis | -168.4 | 168.2 | -12.3 | -170.7 | 0 | 0 | 0 | 0 | 108.4 | | |
| 151 | H | 23.7 | Very low | 26.2 | Very low | 163 Ų | 163 | 148.9 Ų | 148.9 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | | | trans | 69.7 | 149.9 | 157.5 | -84 | 23.4 | 0 | 0 | 0 | 118.6 | | |
| 152 | R | 21.8 | Very low | 26 | Very low | 174 Ų | 174 | 152 Ų | 152 | 66% | 0.657 | 77% | 0.771 | S | S | * | * | | | cis | -168.2 | 158.5 | -16.1 | -127.2 | -177.3 | 177.1 | 173.7 | 0.3 | 109.5 | | |
| 153 | Q | 25.1 | Very low | 26.1 | Very low | 125 Ų | 125 | 152 Ų | 152 | 58% | 0.584 | 77% | 0.771 | S | S | * | * | | | trans | 67.3 | 117 | 147 | -75.7 | 168.5 | -32.9 | 0 | 0 | 119.6 | | |
| 154 | Q | 25.4 | Very low | 26.2 | Very low | 173 Ų | 173 | 147.1 Ų | 147.1 | 81% | 0.808 | 76% | 0.762 | S | S | * | * | | | | 79.9 | 141.9 | 95.9 | -73.6 | 176.4 | -22.7 | 0 | 0 | 113.1 | | |
| 155 | S | 26.5 | Very low | 26.2 | Very low | 93 Ų | 93 | 145.3 Ų | 145.3 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | | | cis | -166.6 | 171.6 | 23 | 59.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 156 | K | 27.1 | Very low | 26.3 | Very low | 185 Ų | 185 | 142.9 Ų | 142.9 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | | | trans | 66.7 | 113.6 | 156.7 | -65.7 | 162.8 | -176.5 | -179.5 | 0 | 116.5 | | |
| 157 | E | 22.9 | Very low | 26.2 | Very low | 160 Ų | 160 | 145.6 Ų | 145.6 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | | | cis | 66.6 | 108.1 | 42.2 | -159.6 | 174.6 | -151.3 | 0 | 0 | 114.1 | L159 | E157-L159 HydrophobicContact CG-CD1 3.94Š|
| 158 | N | 32.2 | Very low | 26.5 | Very low | 171 Ų | 171 | 149 Ų | 149 | 91% | 0.914 | 77% | 0.77 | S | S | * | * | | | trans | -148.2 | 134.7 | 156.5 | -98.6 | -30.6 | 0 | 0 | 0 | 107.5 | | |
| 159 | L | 25.9 | Very low | 26.7 | Very low | 124 Ų | 124 | 151.3 Ų | 151.3 | 65% | 0.649 | 77% | 0.771 | S | S | * | * | | | trans | -101 | 146.8 | -167.6 | -67.6 | 94.6 | 0 | 0 | 0 | 112.9 | E157 | E157-L159 HydrophobicContact CG-CD1 3.94Š|
| 160 | I | 28.8 | Very low | 26.9 | Very low | 144 Ų | 144 | 153.7 Ų | 153.7 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | | | | 40.2 | 124.4 | 126.2 | -54 | 179.5 | 0 | 0 | 0 | 116.2 | | |
| 161 | P | 32.9 | Very low | 27.3 | Very low | 124 Ų | 124 | 155.4 Ų | 155.4 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | | | | -142.7 | 161.3 | 62.5 | 29.8 | -7.4 | 0 | 0 | 0 | 119.4 | | |
| 162 | K | 26.9 | Very low | 27.7 | Very low | 190 Ų | 190 | 157 Ų | 157 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 132.9 | 168.5 | -58.2 | 171.5 | 179.7 | 177.3 | 0 | 109.8 | | |
| 163 | S | 28.3 | Very low | 28.1 | Very low | 122 Ų | 122 | 155.7 Ų | 155.7 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 123.9 | 160.2 | 48.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 164 | N | 26.2 | Very low | 28.2 | Very low | 128 Ų | 128 | 160.4 Ų | 160.4 | 68% | 0.684 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 159.5 | 170.3 | -77.7 | -20.4 | 0 | 0 | 0 | 110.6 | | |
| 165 | H | 28.2 | Very low | 28.4 | Very low | 199 Ų | 199 | 160.3 Ų | 160.3 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | | | trans | 97.5 | 135.7 | 167.9 | -57.5 | -45.5 | 0 | 0 | 0 | 117.5 | | |
| 166 | G | 27.1 | Very low | 28.5 | Very low | 70 Ų | 70 | 161.8 Ų | 161.8 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | | | trans | 131.3 | 26.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | Q168 | G166-Q168 VanDerWaalsContact C-N 3.33Å; G166-Q168 PolarHBondContact O-N 3.21Å |
| 167 | E | 27.2 | Very low | 28.8 | Very low | 198 Ų | 198 | 159.8 Ų | 159.8 | 93% | 0.925 | 81% | 0.806 | S | S | * | * | | | trans | -66.8 | 92.3 | 166 | -74.6 | -170.5 | 139.3 | 0 | 0 | 110 | | |
| 168 | Q | 31.5 | Very low | 29.1 | Very low | 183 Ų | 183 | 157.4 Ų | 157.4 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | | | trans | -93.8 | 122 | 164.8 | -75 | -162.2 | -12.8 | 0 | 0 | 110.3 | G166 R170 | G166-Q168 VanDerWaalsContact C-N 3.33Å; G166-Q168 PolarHBondContact O-N 3.21Å; Q168-R170 PolarHBondContact O-N 2.84Å |
| 169 | H | 27.3 | Very low | 28.9 | Very low | 179 Ų | 179 | 156.8 Ų | 156.8 | 83% | 0.829 | 80% | 0.802 | S | S | * | * | | | trans | -57.4 | 107.9 | 176.5 | -73.8 | -94.7 | 0 | 0 | 0 | 111.2 | T171 | H169-T171 PolarHBondContact O-N 2.96Š|
| 170 | R | 29 | Very low | 29.1 | Very low | 241 Ų | 241 | 160 Ų | 160 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | | | trans | -89 | 82.1 | 173.8 | -153.2 | 174.8 | -168.2 | -176.1 | 3.9 | 110.3 | Q168 K172 | Q168-R170 PolarHBondContact O-N 2.84Å; R170-K172 PolarHBondContact O-N 2.81Å |
| 171 | T | 30.1 | Very low | 29 | Very low | 118 Ų | 118 | 161.7 Ų | 161.7 | 72% | 0.724 | 82% | 0.816 | S | S | * | * | | | trans | -57.7 | 118.2 | 177.9 | -25.9 | 0 | 0 | 0 | 0 | 110.3 | H169 N173 | H169-T171 PolarHBondContact O-N 2.96Å; T171-N173 PolarHBondContact O-N 3Å |
| 172 | K | 31.5 | Very low | 28.8 | Very low | 195 Ų | 195 | 163.3 Ų | 163.3 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | | | trans | -80.9 | 97.3 | 174.7 | -70.5 | -176.9 | 178.9 | 179.5 | 0 | 109 | R170 Y174 | R170-K172 PolarHBondContact O-N 2.81Å; K172-Y174 PolarHBondContact O-N 3.45Å |
| 173 | N | 29.9 | Very low | 28.9 | Very low | 148 Ų | 148 | 159.4 Ų | 159.4 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | | | trans | -64.2 | 132.7 | 168.8 | -79.2 | -15.3 | 0 | 0 | 0 | 110 | T171 H175 | T171-N173 PolarHBondContact O-N 3Å; N173-H175 PolarHBondContact O-N 3.31Å |
| 174 | Y | 27.5 | Very low | 29 | Very low | 223 Ų | 223 | 163.3 Ų | 163.3 | 88% | 0.875 | 81% | 0.812 | S | S | * | * | | | trans | -64.5 | 121.5 | 169.8 | -68 | -90 | 0 | 0 | 0 | 108.8 | K172 | K172-Y174 PolarHBondContact O-N 3.45Š|
| 175 | H | 28.6 | Very low | 29.2 | Very low | 172 Ų | 172 | 165.8 Ų | 165.8 | 80% | 0.796 | 82% | 0.819 | S | S | * | * | | | trans | -88 | 110.4 | 169.6 | -154.1 | 46 | 0 | 0 | 0 | 107.7 | N173 D177 | N173-H175 PolarHBondContact O-N 3.31Å; H175-D177 PolarHBondContact O-N 3.23Å; H175-D177 VanDerWaalsContact O-N 3.16Å |
| 176 | T | 29.9 | Very low | 29.3 | Very low | 124 Ų | 124 | 161.1 Ų | 161.1 | 76% | 0.761 | 81% | 0.809 | S | S | * | * | | | trans | -72.9 | 103.4 | 178 | -50 | 0 | 0 | 0 | 0 | 108.8 | S178 | T176-S178 PolarHBondContact O-N 3.1Š|
| 177 | D | 33.5 | Very low | 29.3 | Very low | 142 Ų | 142 | 166.3 Ų | 166.3 | 76% | 0.759 | 82% | 0.819 | S | S | * | * | | | trans | -57.7 | 125.9 | 177.3 | -78.9 | -44.2 | 0 | 0 | 0 | 110.7 | H175 I179 | H175-D177 PolarHBondContact O-N 3.23Å; H175-D177 VanDerWaalsContact O-N 3.16Å; D177-I179 PolarHBondContact O-N 3.05Å |
| 178 | S | 27.9 | Very low | 29.4 | Very low | 110 Ų | 110 | 162.1 Ų | 162.1 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | | | trans | -65.6 | 121.7 | -173.7 | -74.1 | 0 | 0 | 0 | 0 | 111.6 | T176 K180 | T176-S178 PolarHBondContact O-N 3.1Å; S178-K180 PolarHBondContact O-N 3.37Å |
| 179 | I | 29.3 | Very low | 29.2 | Very low | 158 Ų | 158 | 156.8 Ų | 156.8 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | | | trans | -62.3 | 98.3 | 165.1 | -60.9 | 172 | 0 | 0 | 0 | 107.7 | D177 Q181 | D177-I179 PolarHBondContact O-N 3.05Å; I179-Q181 PolarHBondContact O-N 2.99Å |
| 180 | K | 29.6 | Very low | 29.2 | Very low | 191 Ų | 191 | 155.2 Ų | 155.2 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | | | trans | -63.5 | 108.6 | 169.3 | -80.3 | -173.2 | 174.4 | -178.5 | 0 | 108.3 | S178 I182 | S178-K180 PolarHBondContact O-N 3.37Å; K180-I182 PolarHBondContact O-N 3.24Å |
| 181 | Q | 26.1 | Very low | 29.1 | Very low | 181 Ų | 181 | 152.5 Ų | 152.5 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 119.2 | 174.6 | -64.6 | 178.3 | 5.2 | 0 | 0 | 109.2 | I179 | I179-Q181 PolarHBondContact O-N 2.99Š|
| 182 | I | 28.8 | Very low | 28.9 | Very low | 158 Ų | 158 | 155.5 Ų | 155.5 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 123.8 | 159.8 | -62.7 | 174.2 | 0 | 0 | 0 | 105.7 | K180 K184 | K180-I182 PolarHBondContact O-N 3.24Å; I182-K184 PolarHBondContact O-N 3.34Å |
| 183 | P | 30.3 | Very low | 28.7 | Very low | 107 Ų | 107 | 154.7 Ų | 154.7 | 70% | 0.695 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -63 | 135.9 | -177 | 24.9 | -33 | 0 | 0 | 0 | 110.7 | E185 | P183-E185 PolarHBondContact O-N 3.05Å; P183-E185 VanDerWaalsContact O-N 3.14Å |
| 184 | K | 30.4 | Very low | 28.7 | Very low | 205 Ų | 205 | 155.2 Ų | 155.2 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | | | trans | -75.4 | 97.9 | 170.7 | -67.5 | 177.6 | 179.9 | 177 | 0 | 108.2 | I182 S186 | I182-K184 PolarHBondContact O-N 3.34Å; K184-S186 PolarHBondContact O-N 3.19Å |
| 185 | E | 29.8 | Very low | 28.7 | Very low | 180 Ų | 180 | 154.5 Ų | 154.5 | 84% | 0.841 | 80% | 0.801 | S | S | * | * | | | trans | -61.2 | 124.5 | 164.3 | -71.7 | -176.2 | 162.6 | 0 | 0 | 108.9 | P183 L187 | P183-E185 PolarHBondContact O-N 3.05Å; P183-E185 VanDerWaalsContact O-N 3.14Å; E185-L187 PolarHBondContact O-N 3.13Å |
| 186 | S | 29.4 | Very low | 28.7 | Very low | 100 Ų | 100 | 154.1 Ų | 154.1 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | | | trans | -74.4 | 113.3 | -175.1 | 41.3 | 0 | 0 | 0 | 0 | 110.3 | K184 T188 | K184-S186 PolarHBondContact O-N 3.19Å; S186-T188 VanDerWaalsContact C-N 3.26Å; S186-T188 PolarHBondContact O-N 3.23Å |
| 187 | L | 27.4 | Very low | 28.7 | Very low | 180 Ų | 180 | 155.6 Ų | 155.6 | 94% | 0.942 | 80% | 0.802 | S | S | * | * | | | trans | -63.2 | 92.3 | 161.1 | -88.1 | 110.9 | 0 | 0 | 0 | 109.1 | E185 G189 | E185-L187 PolarHBondContact O-N 3.13Å; L187-G189 PolarHBondContact O-N 2.91Å; L187-G189 VanDerWaalsContact O-N 3.14Å |
| 188 | T | 30 | Very low | 28.3 | Very low | 110 Ų | 110 | 155 Ų | 155 | 68% | 0.675 | 80% | 0.799 | S | S | * | * | | | trans | -69 | 102.7 | 164.9 | 28 | 0 | 0 | 0 | 0 | 107.9 | S186 N190 | S186-T188 VanDerWaalsContact C-N 3.26Å; S186-T188 PolarHBondContact O-N 3.23Å; T188-N190 VanDerWaalsContact C-N 3.3Å; T188-N190 PolarHBondContact O-N 3.03Å |
| 189 | G | 27.1 | Very low | 28.2 | Very low | 71 Ų | 71 | 156.8 Ų | 156.8 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | | | trans | -67.8 | 84.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L187 Q191 | L187-G189 PolarHBondContact O-N 2.91Å; L187-G189 VanDerWaalsContact O-N 3.14Å; G189-Q191 PolarHBondContact O-N 2.84Å |
| 190 | N | 27.4 | Very low | 28.1 | Very low | 145 Ų | 145 | 156.7 Ų | 156.7 | 78% | 0.775 | 80% | 0.795 | S | S | * | * | | | trans | -68.5 | 113 | 171.9 | -81.1 | -22 | 0 | 0 | 0 | 109.8 | T188 M192 | T188-N190 VanDerWaalsContact C-N 3.3Å; T188-N190 PolarHBondContact O-N 3.03Å; N190-M192 PolarHBondContact O-N 3Å |
| 191 | Q | 27.1 | Very low | 28.1 | Very low | 184 Ų | 184 | 155.9 Ų | 155.9 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | | | trans | -67.5 | 99.9 | 177.4 | -61.1 | 176.1 | 2.3 | 0 | 0 | 110 | G189 | G189-Q191 PolarHBondContact O-N 2.84Š|
| 192 | M | 24.9 | Very low | 28 | Very low | 182 Ų | 182 | 151.8 Ų | 151.8 | 90% | 0.897 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 124.7 | 165 | -88 | -175 | 70.8 | 0 | 0 | 110 | N190 | N190-M192 PolarHBondContact O-N 3Š|
| 193 | K | 28.8 | Very low | 27.8 | Very low | 178 Ų | 178 | 151.5 Ų | 151.5 | 77% | 0.774 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 140.4 | -167.6 | -63.4 | 168.7 | 179.3 | 175.1 | 0 | 111.5 | Y195 | K193-Y195 PolarHBondContact O-N 3.44Š|
| 194 | N | 28.5 | Very low | 27.8 | Very low | 158 Ų | 158 | 154.7 Ų | 154.7 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 116.7 | 163.2 | -79.8 | -27.5 | 0 | 0 | 0 | 109.2 | H196 | N194-H196 PolarHBondContact O-N 2.83Š|
| 195 | Y | 27.9 | Very low | 27.6 | Very low | 208 Ų | 208 | 148.3 Ų | 148.3 | 82% | 0.816 | 79% | 0.786 | S | S | * | * | | | trans | -82.4 | 109.6 | 166.2 | -81.3 | -86.1 | 0 | 0 | 0 | 109.3 | K193 L197 | K193-Y195 PolarHBondContact O-N 3.44Å; Y195-L197 PolarHBondContact O-N 3.3Å |
| 196 | H | 28.7 | Very low | 27.4 | Very low | 164 Ų | 164 | 148 Ų | 148 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | | | trans | -66.4 | 112 | 161.4 | -86.8 | -80.5 | 0 | 0 | 0 | 108.8 | N194 | N194-H196 PolarHBondContact O-N 2.83Š|
| 197 | L | 29 | Very low | 27.3 | Very low | 155 Ų | 155 | 150.4 Ų | 150.4 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | | | trans | -105.1 | 81.3 | 157.5 | -91.4 | 162 | 0 | 0 | 0 | 108.3 | Y195 N199 | Y195-L197 PolarHBondContact O-N 3.3Å; L197-N199 PolarHBondContact O-N 3.05Å |
| 198 | N | 25.7 | Very low | 27.4 | Very low | 131 Ų | 131 | 147.8 Ų | 147.8 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | | | trans | -62.5 | 125 | 150.2 | -71.2 | -17.8 | 0 | 0 | 0 | 106.3 | | |
| 199 | N | 26.5 | Very low | 27.3 | Very low | 146 Ų | 146 | 148.7 Ų | 148.7 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | | | trans | -139.6 | 140.6 | 152.3 | -147.7 | -4.8 | 0 | 0 | 0 | 110.8 | L197 | L197-N199 PolarHBondContact O-N 3.05Š|
| 200 | H | 27.5 | Very low | 27.1 | Very low | 156 Ų | 156 | 156.9 Ų | 156.9 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | | | trans | -80.3 | 142.3 | -169.1 | -63.4 | -105.9 | 0 | 0 | 0 | 109.9 | | |
| 201 | N | 29.8 | Very low | 27.2 | Very low | 175 Ų | 175 | 156.9 Ų | 156.9 | 94% | 0.936 | 80% | 0.796 | S | S | * | * | | | trans | -135.4 | 117.8 | 144.5 | -103 | -28.6 | 0 | 0 | 0 | 108.6 | | |
| 202 | S | 23.1 | Very low | 27.2 | Very low | 94 Ų | 94 | 156.6 Ų | 156.6 | 66% | 0.657 | 80% | 0.795 | S | S | * | * | | | trans | -96.9 | 138.5 | -171 | 51.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 203 | I | 24.8 | Very low | 27.3 | Very low | 152 Ų | 152 | 157.1 Ų | 157.1 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | | | trans | 55.8 | 105.6 | 135.1 | -54.9 | 167.4 | 0 | 0 | 0 | 117 | A205 | I203-A205 HydrophobicContact CG2-CB 4.49Š|
| 204 | L | 29.8 | Very low | 27.4 | Very low | 174 Ų | 174 | 156.8 Ų | 156.8 | 91% | 0.911 | 80% | 0.801 | S | S | * | * | | | trans | -166.4 | 88.6 | 138.3 | -100.9 | 159.9 | 0 | 0 | 0 | 105.2 | | |
| 205 | A | 25.5 | Very low | 27.1 | Very low | 72 Ų | 72 | 152.6 Ų | 152.6 | 60% | 0.595 | 80% | 0.795 | S | S | * | * | | | | 67.9 | 104.3 | 66.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | I203 | I203-A205 HydrophobicContact CG2-CB 4.49Š|
| 206 | E | 26 | Very low | 27.1 | Very low | 173 Ų | 173 | 148 Ų | 148 | 81% | 0.808 | 79% | 0.792 | S | S | * | * | | | trans | 60 | 111.2 | 152.9 | -57.6 | -177.5 | 140.9 | 0 | 0 | 120.2 | | |
| 207 | N | 28.3 | Very low | 27 | Very low | 151 Ų | 151 | 148.2 Ų | 148.2 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | | | | -170 | 131.1 | 97.6 | -100.6 | -72.3 | 0 | 0 | 0 | 112.1 | | |
| 208 | P | 28.5 | Very low | 27.1 | Very low | 125 Ų | 125 | 146.9 Ų | 146.9 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | | | trans | -94.7 | 114.9 | -178.8 | 34.1 | -30.9 | 0 | 0 | 0 | 112.8 | | |
| 209 | T | 27.6 | Very low | 27.1 | Very low | 129 Ų | 129 | 145.8 Ų | 145.8 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | | | trans | -102.8 | 111.3 | 168 | -26.4 | 0 | 0 | 0 | 0 | 110.3 | I211 | T209-I211 PolarHBondContact O-N 3.3Š|
| 210 | R | 23.2 | Very low | 27.2 | Very low | 242 Ų | 242 | 143.2 Ų | 143.2 | 91% | 0.913 | 79% | 0.793 | S | S | * | * | | | trans | -65.9 | 126.1 | 169.1 | -73.1 | 176.3 | 169.2 | -169.6 | -3 | 109.9 | | |
| 211 | I | 29.6 | Very low | 27.4 | Very low | 145 Ų | 145 | 144.2 Ų | 144.2 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | | | trans | -143 | 119.2 | 140.2 | -81.7 | 111.3 | 0 | 0 | 0 | 108.5 | T209 | T209-I211 PolarHBondContact O-N 3.3Š|
| 212 | E | 28.2 | Very low | 27.5 | Very low | 178 Ų | 178 | 143.7 Ų | 143.7 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | | | trans | 41.2 | 126.1 | 147.6 | -59.1 | 179.5 | 156.3 | 0 | 0 | 122.3 | L214 | E212-L214 PolarHBondContact O-N 3.42Š|
| 213 | Q | 26.4 | Very low | 28.2 | Very low | 194 Ų | 194 | 145 Ų | 145 | 91% | 0.907 | 79% | 0.794 | S | S | * | * | | | trans | -74.6 | 107.1 | 174.1 | -63.5 | 161.9 | -40.2 | 0 | 0 | 111 | | |
| 214 | L | 30 | Very low | 28.4 | Very low | 171 Ų | 171 | 146.7 Ų | 146.7 | 90% | 0.895 | 80% | 0.796 | S | S | * | * | | | trans | -100.4 | 82.1 | 154.7 | -74.6 | 174.2 | 0 | 0 | 0 | 109.3 | E212 C216 | E212-L214 PolarHBondContact O-N 3.42Å; L214-C216 PolarHBondContact O-N 2.79Å; L214-C216 VanDerWaalsContact O-N 3.1Å |
| 215 | G | 23.7 | Very low | 28.5 | Very low | 70 Ų | 70 | 145.2 Ų | 145.2 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | | | trans | -71.2 | 98.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 216 | C | 28.2 | Very low | 28.8 | Very low | 112 Ų | 112 | 151.1 Ų | 151.1 | 76% | 0.757 | 80% | 0.801 | S | S | * | * | | | trans | -119 | 98.5 | 164.5 | -80.8 | 0 | 0 | 0 | 0 | 109.3 | L214 T218 | L214-C216 PolarHBondContact O-N 2.79Å; L214-C216 VanDerWaalsContact O-N 3.1Å; C216-T218 PolarHBondContact O-N 2.78Å |
| 217 | N | 26.4 | Very low | 29 | Very low | 167 Ų | 167 | 152.7 Ų | 152.7 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | | | trans | -72 | 92.7 | 176.8 | -71.4 | -31.4 | 0 | 0 | 0 | 110.6 | | |
| 218 | T | 29.8 | Very low | 29.2 | Very low | 128 Ų | 128 | 153.6 Ų | 153.6 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | | | trans | -112.8 | 65.1 | 162.8 | 41.2 | 0 | 0 | 0 | 0 | 111.1 | C216 S220 | C216-T218 PolarHBondContact O-N 2.78Å; T218-S220 PolarHBondContact O-N 2.91Å; T218-S220 VanDerWaalsContact O-N 3.15Å |
| 219 | S | 25.8 | Very low | 29.2 | Very low | 108 Ų | 108 | 156.3 Ų | 156.3 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | | | trans | -69.3 | 100.4 | 157.3 | -178.7 | 0 | 0 | 0 | 0 | 108.6 | | |
| 220 | S | 29.6 | Very low | 29.3 | Very low | 91 Ų | 91 | 161.4 Ų | 161.4 | 64% | 0.636 | 82% | 0.816 | S | S | * | * | | | trans | -148 | -1.5 | 171.3 | -72.7 | 0 | 0 | 0 | 0 | 114.1 | T218 | T218-S220 PolarHBondContact O-N 2.91Å; T218-S220 VanDerWaalsContact O-N 3.15Å |
| 221 | Q | 30.3 | Very low | 29.7 | Very low | 177 Ų | 177 | 156.7 Ų | 156.7 | 83% | 0.827 | 81% | 0.809 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -20.5 | -178.7 | -149.8 | 72.9 | 19.3 | 0 | 0 | 113.7 | | |
| 222 | E | 32.3 | Very low | 29.6 | Very low | 165 Ų | 165 | 158.3 Ų | 158.3 | 77% | 0.771 | 81% | 0.813 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -16 | -175.5 | -75.8 | -159.8 | 129.9 | 0 | 0 | 115.4 | F224 | E222-F224 VanDerWaalsContact C-N 3.34Å; E222-F224 PolarHBondContact O-N 3.48Å |
| 223 | V | 37.6 | Very low | 29.7 | Very low | 120 Ų | 120 | 155.2 Ų | 155.2 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | G | 310 helix | trans | -75.1 | -25.7 | -177.7 | -178 | 0 | 0 | 0 | 0 | 112 | N225 | V223-N225 VanDerWaalsContact C-N 3.31Å; V223-N225 PolarHBondContact O-N 2.88Å |
| 224 | F | 30.2 | Very low | 29.9 | Very low | 189 Ų | 189 | 152.7 Ų | 152.7 | 83% | 0.829 | 80% | 0.799 | S | S | * | * | G | 310 helix | trans | -73.1 | -18.6 | -173.5 | -128.5 | -90 | 0 | 0 | 0 | 114.7 | E222 | E222-F224 VanDerWaalsContact C-N 3.34Å; E222-F224 PolarHBondContact O-N 3.48Å |
| 225 | N | 30.9 | Very low | 29.9 | Very low | 142 Ų | 142 | 149 Ų | 149 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | G | 310 helix | trans | -91.1 | 0 | -176.5 | -78.9 | -17.9 | 0 | 0 | 0 | 115.3 | V223 | V223-N225 VanDerWaalsContact C-N 3.31Å; V223-N225 PolarHBondContact O-N 2.88Å |
| 226 | K | 31.3 | Very low | 30.4 | Very low | 197 Ų | 197 | 154.6 Ų | 154.6 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -105.2 | -1 | -179.2 | -77.6 | -175.7 | 178.6 | 172.1 | 0 | 116.4 | | |
| 227 | K | 31.7 | Very low | 30.4 | Very low | 205 Ų | 205 | 159.9 Ų | 159.9 | 89% | 0.891 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -102.4 | -3.3 | 177.8 | -97.3 | -175.7 | 176.3 | 179.8 | 0 | 116.4 | | |
| 228 | L | 31.2 | Very low | 30.8 | Very low | 170 Ų | 170 | 158.9 Ų | 158.9 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -102.4 | 8.4 | -176.1 | -136.3 | 85.3 | 0 | 0 | 0 | 115.8 | | |
| 229 | Q | 28.7 | Very low | 31 | Very low | 182 Ų | 182 | 162 Ų | 162 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -134.2 | 60.4 | -171 | -155 | 177.2 | 60.1 | 0 | 0 | 114.2 | | |
| 230 | R | 29.3 | Very low | 31.4 | Very low | 237 Ų | 237 | 165 Ų | 165 | 89% | 0.894 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -155.2 | 156.6 | 155.7 | -113.4 | 165.4 | -173.3 | 164.7 | 1.9 | 110.8 | | |
| 231 | N | 31.9 | Very low | 31.5 | Very low | 142 Ų | 142 | 167.5 Ų | 167.5 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | | | trans | 74.4 | 39.7 | 178.7 | -52 | -10.9 | 0 | 0 | 0 | 116.6 | T233 | N231-T233 PolarHBondContact O-N 3.06Š|
| 232 | Q | 28 | Very low | 31.6 | Very low | 180 Ų | 180 | 167 Ų | 167 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | | | trans | -78.1 | 57 | 149 | -161.9 | 174.8 | 73.4 | 0 | 0 | 109.7 | N234 | Q232-N234 PolarHBondContact O-N 3.22Å; Q232-N234 VanDerWaalsContact O-N 3.12Å |
| 233 | T | 30.8 | Very low | 31.7 | Very low | 112 Ų | 112 | 169.7 Ų | 169.7 | 69% | 0.687 | 80% | 0.799 | S | S | * | * | | | trans | -74.1 | 104.4 | 178.3 | -20.6 | 0 | 0 | 0 | 0 | 107.6 | N231 S235 | N231-T233 PolarHBondContact O-N 3.06Å; T233-S235 PolarHBondContact O-N 3.36Å |
| 234 | N | 31.3 | Very low | 31.3 | Very low | 142 Ų | 142 | 174 Ų | 174 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | | | trans | -68.7 | 64.9 | 177.3 | -76.4 | -40.9 | 0 | 0 | 0 | 111.4 | Q232 K236 | Q232-N234 PolarHBondContact O-N 3.22Å; Q232-N234 VanDerWaalsContact O-N 3.12Å; N234-K236 PolarHBondContact O-N 3.44Å |
| 235 | S | 29.2 | Very low | 31.5 | Very low | 93 Ų | 93 | 174.2 Ų | 174.2 | 65% | 0.65 | 80% | 0.804 | S | S | * | * | | | trans | -67.7 | 100.3 | 168.7 | -178.7 | 0 | 0 | 0 | 0 | 108.1 | T233 R237 | T233-S235 PolarHBondContact O-N 3.36Å; S235-R237 VanDerWaalsContact C-N 3.26Å; S235-R237 PolarHBondContact O-N 2.89Å |
| 236 | K | 33.7 | Very low | 31.6 | Very low | 187 Ų | 187 | 174.1 Ų | 174.1 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | | | trans | -58.5 | 93.6 | 162.3 | -70.7 | 178 | 177.7 | 177.2 | 0 | 107.5 | N234 D238 | N234-K236 PolarHBondContact O-N 3.44Å; K236-D238 PolarHBondContact O-N 3.39Å |
| 237 | R | 29.3 | Very low | 31.6 | Very low | 224 Ų | 224 | 173.2 Ų | 173.2 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | | | trans | -70.4 | 82.8 | 165.7 | -72 | -164.2 | -166.6 | 114 | -0.9 | 108.5 | S235 K239 | S235-R237 VanDerWaalsContact C-N 3.26Å; S235-R237 PolarHBondContact O-N 2.89Å; R237-K239 PolarHBondContact O-N 3.13Å |
| 238 | D | 34 | Very low | 31.6 | Very low | 145 Ų | 145 | 169.6 Ų | 169.6 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | | | trans | -53.3 | 111.2 | 154.2 | -78.2 | -35 | 0 | 0 | 0 | 106.9 | K236 Q240 | K236-D238 PolarHBondContact O-N 3.39Å; D238-Q240 PolarHBondContact O-N 2.93Å |
| 239 | K | 34.9 | Very low | 31.6 | Very low | 194 Ų | 194 | 170.4 Ų | 170.4 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | | | trans | -67 | 90 | 174 | -73.3 | 179.9 | 178.6 | 176 | 0 | 107 | R237 I241 | R237-K239 PolarHBondContact O-N 3.13Å; K239-I241 VanDerWaalsContact C-N 3.26Å; K239-I241 PolarHBondContact O-N 2.93Å |
| 240 | Q | 32.5 | Very low | 31.7 | Very low | 172 Ų | 172 | 173.1 Ų | 173.1 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | trans | -57.1 | 97.4 | 164.7 | -87.8 | -167.1 | 3.8 | 0 | 0 | 107.7 | D238 K242 | D238-Q240 PolarHBondContact O-N 2.93Å; Q240-K242 VanDerWaalsContact C-N 3.27Å; Q240-K242 PolarHBondContact O-N 3.12Å |
| 241 | I | 31.7 | Very low | 31.7 | Very low | 143 Ų | 143 | 168.3 Ų | 168.3 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | | | trans | -63.5 | 97.6 | 166.7 | -64.9 | 168.8 | 0 | 0 | 0 | 105 | K239 R243 | K239-I241 VanDerWaalsContact C-N 3.26Å; K239-I241 PolarHBondContact O-N 2.93Å; I241-R243 HydrophobicContact CG2-CG 4.22Å; I241-R243 PolarHBondContact O-N 3.01Å |
| 242 | K | 34.2 | Very low | 31.6 | Very low | 166 Ų | 166 | 164.7 Ų | 164.7 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | | | trans | -61.5 | 85.3 | 170.1 | -75.7 | -173 | 176.9 | -178.6 | 0 | 107.6 | Q240 Y244 | Q240-K242 VanDerWaalsContact C-N 3.27Å; Q240-K242 PolarHBondContact O-N 3.12Å; K242-Y244 VanDerWaalsContact C-N 3.35Å; K242-Y244 WeakPolarHBondContact O-CD2 3.44Å; K242-Y244 PolarHBondContact O-N 2.94Å |
| 243 | R | 33.4 | Very low | 31.8 | Very low | 222 Ų | 222 | 165.1 Ų | 165.1 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | | | trans | -63.1 | 100.7 | 169.3 | -71.7 | -175.6 | -179.7 | 173.5 | 1 | 106.2 | I241 K245 | I241-R243 HydrophobicContact CG2-CG 4.22Å; I241-R243 PolarHBondContact O-N 3.01Å; R243-K245 VanDerWaalsContact C-N 3.27Å; R243-K245 PolarHBondContact O-N 3.03Å |
| 244 | Y | 29.7 | Very low | 31.9 | Very low | 210 Ų | 210 | 167.4 Ų | 167.4 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | | | trans | -57.9 | 95.2 | 168.2 | -71.9 | -91.3 | 0 | 0 | 0 | 107.8 | K242 L246 | K242-Y244 VanDerWaalsContact C-N 3.35Å; K242-Y244 WeakPolarHBondContact O-CD2 3.44Å; K242-Y244 PolarHBondContact O-N 2.94Å; Y244-L246 PolarHBondContact O-N 2.93Å |
| 245 | K | 34.5 | Very low | 31.9 | Very low | 194 Ų | 194 | 169.3 Ų | 169.3 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | | | trans | -65.5 | 91.7 | 163.7 | -77.4 | -176.1 | 177.4 | 177.8 | 0 | 105.8 | R243 Q247 | R243-K245 VanDerWaalsContact C-N 3.27Å; R243-K245 PolarHBondContact O-N 3.03Å; K245-Q247 PolarHBondContact O-N 2.92Å |
| 246 | L | 32.6 | Very low | 31.9 | Very low | 140 Ų | 140 | 173.3 Ų | 173.3 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | | | trans | -53.1 | 114.8 | 167.2 | -132.7 | 86.8 | 0 | 0 | 0 | 106 | Y244 N248 | Y244-L246 PolarHBondContact O-N 2.93Å; L246-N248 PolarHBondContact O-N 3.09Å |
| 247 | Q | 31.2 | Very low | 31.8 | Very low | 178 Ų | 178 | 169.7 Ų | 169.7 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | | | trans | -71.3 | 79.3 | 173.2 | -71.5 | -176.3 | -0.9 | 0 | 0 | 107.4 | K245 K249 | K245-Q247 PolarHBondContact O-N 2.92Å; Q247-K249 PolarHBondContact O-N 3.19Å |
| 248 | N | 32.5 | Very low | 31.8 | Very low | 128 Ų | 128 | 168.5 Ų | 168.5 | 68% | 0.684 | 80% | 0.795 | S | S | * | * | | | trans | -61.1 | 94.1 | 160.9 | -77.3 | -11.8 | 0 | 0 | 0 | 106 | L246 R250 | L246-N248 PolarHBondContact O-N 3.09Å; N248-R250 PolarHBondContact O-N 2.91Å |
| 249 | K | 31.1 | Very low | 31.7 | Very low | 188 Ų | 188 | 167.8 Ų | 167.8 | 82% | 0.817 | 80% | 0.796 | S | S | * | * | | | trans | -52.4 | 99 | 161.8 | -81.7 | -176 | 173.6 | -178.7 | 0 | 105.8 | Q247 L251 | Q247-K249 PolarHBondContact O-N 3.19Å; K249-L251 VanDerWaalsContact C-N 3.28Å; K249-L251 PolarHBondContact O-N 2.99Å |
| 250 | R | 29.4 | Very low | 31.4 | Very low | 239 Ų | 239 | 165.6 Ų | 165.6 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | | | trans | -62.1 | 99.5 | 167.4 | -77.6 | -178.1 | 170.2 | -175.7 | -4 | 105 | N248 G252 | N248-R250 PolarHBondContact O-N 2.91Å; R250-G252 VanDerWaalsContact C-N 3.34Å; R250-G252 PolarHBondContact O-N 2.77Å |
| 251 | L | 30.8 | Very low | 31.2 | Very low | 136 Ų | 136 | 167.5 Ų | 167.5 | 71% | 0.712 | 80% | 0.795 | S | S | * | * | | | trans | -55.7 | 108.5 | 158.4 | -110.4 | 70 | 0 | 0 | 0 | 105.2 | K249 F253 | K249-L251 VanDerWaalsContact C-N 3.28Å; K249-L251 PolarHBondContact O-N 2.99Å; L251-F253 HydrophobicContact CB-CE2 4.46Å; L251-F253 PolarHBondContact O-N 3.27Å; L251-F253 VanDerWaalsContact O-N 3.09Å |
| 252 | G | 28.7 | Very low | 31.1 | Very low | 66 Ų | 66 | 169.1 Ų | 169.1 | 68% | 0.68 | 80% | 0.801 | S | S | * | * | | | trans | -64 | 109 | 166.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | R250 | R250-G252 VanDerWaalsContact C-N 3.34Å; R250-G252 PolarHBondContact O-N 2.77Å |
| 253 | F | 32.4 | Very low | 30.8 | Very low | 188 Ų | 188 | 166.2 Ų | 166.2 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 116.5 | 158.4 | -83.8 | -83.7 | 0 | 0 | 0 | 106.4 | L251 | L251-F253 HydrophobicContact CB-CE2 4.46Å; L251-F253 PolarHBondContact O-N 3.27Å; L251-F253 VanDerWaalsContact O-N 3.09Å |
| 254 | D | 33.1 | Very low | 30.6 | Very low | 160 Ų | 160 | 161.9 Ų | 161.9 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 156.3 | 179.3 | -78.8 | -52.6 | 0 | 0 | 0 | 112.1 | | |
| 255 | K | 30.5 | Very low | 30.5 | Very low | 182 Ų | 182 | 158.7 Ų | 158.7 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -70 | 136.3 | -164.1 | -62 | 174.7 | -179.6 | 175.6 | 0 | 113.1 | | |
| 256 | E | 28.8 | Very low | 30 | Very low | 177 Ų | 177 | 160.6 Ų | 160.6 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | | | trans | 46.7 | 78.6 | 131.9 | -58.1 | 174.5 | 127.3 | 0 | 0 | 117.7 | | |
| 257 | S | 33.2 | Very low | 29.7 | Very low | 112 Ų | 112 | 159.3 Ų | 159.3 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | | | trans | -82.1 | 113.1 | 147.2 | 61.9 | 0 | 0 | 0 | 0 | 109.3 | T259 | S257-T259 PolarHBondContact O-N 3.07Š|
| 258 | K | 28.4 | Very low | 29.4 | Very low | 198 Ų | 198 | 155.7 Ų | 155.7 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | | | trans | -47.4 | 131.3 | 177.2 | -61.4 | 165.7 | -179.6 | 173.1 | 0 | 112 | | |
| 259 | T | 31.8 | Very low | 29.2 | Very low | 131 Ų | 131 | 158.2 Ų | 158.2 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | -131.4 | 130 | 160.6 | 48.8 | 0 | 0 | 0 | 0 | 109.1 | S257 | S257-T259 PolarHBondContact O-N 3.07Š|
| 260 | D | 29.2 | Very low | 29 | Very low | 147 Ų | 147 | 155.7 Ų | 155.7 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | | | trans | -70.6 | 141.3 | -158.4 | -63.4 | -67 | 0 | 0 | 0 | 115.5 | M262 | D260-M262 PolarHBondContact O-N 2.94Å; D260-M262 VanDerWaalsContact O-N 3.08Å |
| 261 | Y | 26.9 | Very low | 28.8 | Very low | 213 Ų | 213 | 152.1 Ų | 152.1 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | | | trans | -84.9 | 75.6 | -174.5 | -153.9 | -91.9 | 0 | 0 | 0 | 110.4 | N263 | Y261-N263 VanDerWaalsContact C-N 3.3Å; Y261-N263 HydrophobicContact CD1-CB 4.29Å; Y261-N263 PolarHBondContact O-N 2.81Å |
| 262 | M | 30.9 | Very low | 28.5 | Very low | 176 Ų | 176 | 151 Ų | 151 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | | | trans | -76.9 | 84.6 | 173.9 | -77.6 | -64.5 | 179.8 | 0 | 0 | 111.2 | D260 | D260-M262 PolarHBondContact O-N 2.94Å; D260-M262 VanDerWaalsContact O-N 3.08Å |
| 263 | N | 28.6 | Very low | 28.5 | Very low | 105 Ų | 105 | 157.3 Ų | 157.3 | 56% | 0.561 | 80% | 0.8 | S | S | * | * | | | trans | -68.3 | 132.8 | 172.5 | 179.3 | 14.1 | 0 | 0 | 0 | 111.1 | Y261 | Y261-N263 VanDerWaalsContact C-N 3.3Å; Y261-N263 HydrophobicContact CD1-CB 4.29Å; Y261-N263 PolarHBondContact O-N 2.81Å |
| 264 | T | 27.9 | Very low | 28 | Very low | 132 Ų | 132 | 154.9 Ų | 154.9 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | | | trans | -151.6 | 104.2 | 157.4 | -9.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 265 | Q | 28.6 | Very low | 27.6 | Very low | 142 Ų | 142 | 153 Ų | 153 | 66% | 0.664 | 80% | 0.799 | S | S | * | * | | | trans | -37.6 | 140.7 | 160.2 | -64.7 | 147.4 | -17.9 | 0 | 0 | 111.2 | | |
| 266 | Y | 23.7 | Very low | 27.4 | Very low | 235 Ų | 235 | 148.9 Ų | 148.9 | 92% | 0.922 | 80% | 0.799 | S | S | * | * | | | cis | 58 | 74 | 32.7 | -124 | -78 | 0 | 0 | 0 | 113.9 | | |
| 267 | C | 26.6 | Very low | 27.3 | Very low | 112 Ų | 112 | 149.5 Ų | 149.5 | 76% | 0.757 | 80% | 0.799 | S | S | * | * | | | trans | -117.3 | 142.1 | 166.6 | -70 | 0 | 0 | 0 | 0 | 110.8 | | |
| 268 | S | 23.9 | Very low | 27.1 | Very low | 102 Ų | 102 | 153 Ų | 153 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | | | trans | -70.8 | 153.5 | -170.9 | -163.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 269 | M | 28.1 | Very low | 27 | Very low | 181 Ų | 181 | 150 Ų | 150 | 89% | 0.892 | 79% | 0.793 | S | S | * | * | | | trans | -85.6 | 108.2 | 164 | -71.6 | -153.4 | 80.3 | 0 | 0 | 109.9 | | |
| 270 | D | 26.6 | Very low | 26.9 | Very low | 136 Ų | 136 | 153 Ų | 153 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | | | trans | -131.3 | 109.7 | 161.2 | -79.1 | -63.7 | 0 | 0 | 0 | 109.1 | | |
| 271 | N | 25.9 | Very low | 26.6 | Very low | 163 Ų | 163 | 151.4 Ų | 151.4 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | | | trans | -166.3 | 109.3 | 144.2 | -106.1 | -45.7 | 0 | 0 | 0 | 110.8 | K273 | N271-K273 PolarHBondContact O-N 2.92Š|
| 272 | S | 24 | Very low | 26.6 | Very low | 112 Ų | 112 | 145.7 Ų | 145.7 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | | | trans | -63.6 | 124.2 | 169.6 | 39.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 273 | K | 28.6 | Very low | 26.2 | Very low | 199 Ų | 199 | 143.2 Ų | 143.2 | 87% | 0.865 | 78% | 0.782 | S | S | * | * | | | trans | -119 | 100.8 | 159.4 | -83 | -171.1 | 174.6 | -179.3 | 0 | 109.9 | N271 C275 | N271-K273 PolarHBondContact O-N 2.92Å; K273-C275 PolarHBondContact O-N 3.44Å |
| 274 | T | 23.2 | Very low | 26 | Very low | 138 Ų | 138 | 148.5 Ų | 148.5 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | | | trans | -59.9 | 124.9 | 165.8 | 32.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 275 | C | 25 | Very low | 25.8 | Very low | 121 Ų | 121 | 147.6 Ų | 147.6 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -141.9 | 112.8 | 167.5 | -92.4 | 0 | 0 | 0 | 0 | 110.8 | K273 | K273-C275 PolarHBondContact O-N 3.44Š|
| 276 | A | 26.5 | Very low | 25.6 | Very low | 95 Ų | 95 | 147 Ų | 147 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | | | trans | 38.3 | 106 | 156 | 0 | 0 | 0 | 0 | 0 | 118.8 | K278 | A276-K278 PolarHBondContact O-N 3.26Š|
| 277 | K | 25.1 | Very low | 25.8 | Very low | 189 Ų | 189 | 143.9 Ų | 143.9 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | | | trans | -54 | 135.2 | 146.8 | -65.7 | 178.5 | 177.3 | -178.6 | 0 | 108.8 | | |
| 278 | K | 29.4 | Very low | 25.7 | Very low | 185 Ų | 185 | 141.2 Ų | 141.2 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | -124.4 | 100.6 | 159.7 | -103.2 | -174.5 | 173.9 | -178.2 | 0 | 107.9 | A276 F280 | A276-K278 PolarHBondContact O-N 3.26Å; K278-F280 PolarHBondContact O-N 3.44Å |
| 279 | D | 26.2 | Very low | 25.7 | Very low | 136 Ų | 136 | 143.7 Ų | 143.7 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | | | trans | -71.6 | 120.1 | 178.1 | -52.3 | -69.2 | 0 | 0 | 0 | 109.4 | | |
| 280 | F | 29.5 | Very low | 25.8 | Very low | 193 Ų | 193 | 144.5 Ų | 144.5 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | | | trans | -134.6 | 93 | 158.7 | -88.7 | -71 | 0 | 0 | 0 | 108.7 | K278 S282 | K278-F280 PolarHBondContact O-N 3.44Å; F280-S282 PolarHBondContact O-N 3.27Å |
| 281 | S | 22.4 | Very low | 25.8 | Very low | 114 Ų | 114 | 145.7 Ų | 145.7 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | | | trans | -66.3 | 116.5 | 162.2 | 55 | 0 | 0 | 0 | 0 | 108.9 | | |
| 282 | S | 27.7 | Very low | 25.9 | Very low | 93 Ų | 93 | 146.2 Ų | 146.2 | 65% | 0.65 | 80% | 0.8 | S | S | * | * | | | trans | -120.9 | 86 | 161.8 | -176.7 | 0 | 0 | 0 | 0 | 108.3 | F280 Y284 | F280-S282 PolarHBondContact O-N 3.27Å; S282-Y284 PolarHBondContact O-N 2.92Å |
| 283 | T | 22.6 | Very low | 26 | Very low | 125 Ų | 125 | 149.1 Ų | 149.1 | 77% | 0.767 | 80% | 0.801 | S | S | * | * | | | trans | -64.6 | 99.1 | 167.1 | 45.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 284 | Y | 25.5 | Very low | 26 | Very low | 215 Ų | 215 | 148.7 Ų | 148.7 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | | | trans | -98.3 | 111.7 | 157.3 | -93.9 | -79.8 | 0 | 0 | 0 | 109.1 | S282 | S282-Y284 PolarHBondContact O-N 2.92Š|
| 285 | T | 23.6 | Very low | 26.3 | Very low | 113 Ų | 113 | 151 Ų | 151 | 69% | 0.693 | 80% | 0.8 | S | S | * | * | | | trans | -78.3 | 143.2 | -178.8 | 33.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 286 | T | 23.5 | Very low | 26.5 | Very low | 131 Ų | 131 | 151 Ų | 151 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | trans | 38.9 | 107.5 | 145.5 | 58.3 | 0 | 0 | 0 | 0 | 118.3 | | |
| 287 | N | 28.6 | Very low | 26.7 | Very low | 168 Ų | 168 | 152.4 Ų | 152.4 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | | | | -142.3 | 126.9 | 129.5 | -145.3 | -10.2 | 0 | 0 | 0 | 111 | | |
| 288 | G | 22.8 | Very low | 26.9 | Very low | 57 Ų | 57 | 150 Ų | 150 | 59% | 0.588 | 79% | 0.792 | S | S | * | * | | | trans | -88.2 | -173.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 289 | N | 24.7 | Very low | 27 | Very low | 154 Ų | 154 | 149.1 Ų | 149.1 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | | | trans | 63.2 | 99.4 | 175.5 | -64.4 | -24.7 | 0 | 0 | 0 | 116.5 | | |
| 290 | K | 30.5 | Very low | 27.3 | Very low | 197 Ų | 197 | 147.4 Ų | 147.4 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | | | | -169.3 | 144.1 | 100.1 | -93.4 | 147.1 | -169.1 | 176.8 | 0 | 111.5 | L292 | K290-L292 PolarHBondContact O-N 3.43Å; K290-L292 VanDerWaalsContact O-N 3.13Å |
| 291 | N | 25.5 | Very low | 27.5 | Very low | 162 Ų | 162 | 145.8 Ų | 145.8 | 87% | 0.866 | 79% | 0.793 | S | S | * | * | | | trans | -36.6 | 109.4 | 177.3 | -66.5 | -33.8 | 0 | 0 | 0 | 113.9 | Q293 | N291-Q293 VanDerWaalsContact C-N 3.28Å; N291-Q293 PolarHBondContact O-N 2.9Å; N291-Q293 VanDerWaalsContact O-N 3.13Å |
| 292 | L | 29 | Very low | 27.9 | Very low | 173 Ų | 173 | 148.8 Ų | 148.8 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | | | trans | -77.1 | 89.8 | 152.3 | -92.4 | 102.9 | 0 | 0 | 0 | 107.9 | K290 E294 | K290-L292 PolarHBondContact O-N 3.43Å; K290-L292 VanDerWaalsContact O-N 3.13Å; L292-E294 PolarHBondContact O-N 3.48Å |
| 293 | Q | 25.3 | Very low | 27.9 | Very low | 174 Ų | 174 | 149.5 Ų | 149.5 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | | | trans | -72.3 | 106.7 | 165.2 | -167.1 | 168.7 | 26 | 0 | 0 | 107.2 | N291 K295 | N291-Q293 VanDerWaalsContact C-N 3.28Å; N291-Q293 PolarHBondContact O-N 2.9Å; N291-Q293 VanDerWaalsContact O-N 3.13Å; Q293-K295 PolarHBondContact O-N 2.98Å |
| 294 | E | 29.6 | Very low | 28.2 | Very low | 189 Ų | 189 | 150.1 Ų | 150.1 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | | | trans | -58.2 | 105 | 175.7 | -74 | -173.5 | 130.1 | 0 | 0 | 109.5 | L292 T296 | L292-E294 PolarHBondContact O-N 3.48Å; E294-T296 PolarHBondContact O-N 3.02Å; E294-T296 VanDerWaalsContact O-N 3.13Å |
| 295 | K | 29.7 | Very low | 28.4 | Very low | 187 Ų | 187 | 145.2 Ų | 145.2 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | | | trans | -72.5 | 104.7 | 168.2 | -84.7 | -176.3 | 171.7 | -179.2 | 0 | 108.1 | Q293 T297 | Q293-K295 PolarHBondContact O-N 2.98Å; K295-T297 PolarHBondContact O-N 3.39Å; K295-T297 PolarHBondContact O-OG1 2.84Å |
| 296 | T | 28.1 | Very low | 28.7 | Very low | 120 Ų | 120 | 145.9 Ų | 145.9 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | | | trans | -46.1 | 111.6 | 159.2 | 43.7 | 0 | 0 | 0 | 0 | 108.5 | E294 D298 | E294-T296 PolarHBondContact O-N 3.02Å; E294-T296 VanDerWaalsContact O-N 3.13Å; T296-D298 VanDerWaalsContact C-N 3.29Å; T296-D298 PolarHBondContact O-N 3.04Å |
| 297 | T | 32.3 | Very low | 29.2 | Very low | 126 Ų | 126 | 147.8 Ų | 147.8 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | | | trans | -78.6 | 87 | -178.8 | -53.1 | 0 | 0 | 0 | 0 | 107.7 | K295 L299 | K295-T297 PolarHBondContact O-N 3.39Å; K295-T297 PolarHBondContact O-OG1 2.84Å; T297-L299 PolarHBondContact O-N 3.04Å |
| 298 | D | 29 | Very low | 29.2 | Very low | 138 Ų | 138 | 145 Ų | 145 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | | | trans | -55.4 | 112.2 | 170.6 | -76.5 | -38 | 0 | 0 | 0 | 108.5 | T296 S300 | T296-D298 VanDerWaalsContact C-N 3.29Å; T296-D298 PolarHBondContact O-N 3.04Å; D298-S300 PolarHBondContact O-N 2.9Å |
| 299 | L | 31.3 | Very low | 29.6 | Very low | 167 Ų | 167 | 153.5 Ų | 153.5 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | | | trans | -69.8 | 71.1 | 174.8 | -87.3 | 148.5 | 0 | 0 | 0 | 109.2 | T297 L301 | T297-L299 PolarHBondContact O-N 3.04Å; L299-L301 PolarHBondContact O-N 3.45Å; L299-L301 VanDerWaalsContact O-N 3.14Å |
| 300 | S | 32.8 | Very low | 29.9 | Very low | 99 Ų | 99 | 151.2 Ų | 151.2 | 69% | 0.692 | 80% | 0.803 | S | S | * | * | | | trans | -56.7 | 118.2 | 168.5 | 57.6 | 0 | 0 | 0 | 0 | 108.5 | D298 M302 | D298-S300 PolarHBondContact O-N 2.9Å; S300-M302 PolarHBondContact O-N 3.09Å |
| 301 | L | 33.7 | Very low | 29.9 | Very low | 159 Ų | 159 | 146.6 Ų | 146.6 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | | | trans | -60.5 | 102 | 172.9 | -80.6 | 151.2 | 0 | 0 | 0 | 108 | L299 T303 | L299-L301 PolarHBondContact O-N 3.45Å; L299-L301 VanDerWaalsContact O-N 3.14Å; L301-T303 PolarHBondContact O-N 3.37Å; L301-T303 PolarHBondContact O-OG1 3.47Å |
| 302 | M | 30.1 | Very low | 30.4 | Very low | 178 Ų | 178 | 144.7 Ų | 144.7 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | | | trans | -62.4 | 77.6 | 170.1 | -80.6 | 174.2 | 58.8 | 0 | 0 | 110.1 | S300 | S300-M302 PolarHBondContact O-N 3.09Š|
| 303 | T | 27.2 | Very low | 30.3 | Very low | 107 Ų | 107 | 141 Ų | 141 | 66% | 0.656 | 78% | 0.784 | S | S | * | * | | | trans | -72.7 | 154.6 | 155.9 | 42.4 | 0 | 0 | 0 | 0 | 108.4 | L301 | L301-T303 PolarHBondContact O-N 3.37Å; L301-T303 PolarHBondContact O-OG1 3.47Å |
| 304 | N | 29.3 | Very low | 30.5 | Very low | 139 Ų | 139 | 140.5 Ų | 140.5 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | | | trans | 77.2 | 67.3 | 177.1 | -43.4 | -38 | 0 | 0 | 0 | 115.7 | | |
| 305 | S | 29.4 | Very low | 30.6 | Very low | 111 Ų | 111 | 135.7 Ų | 135.7 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | | | trans | -117.3 | 72.2 | 138.6 | -68.6 | 0 | 0 | 0 | 0 | 108.4 | L307 | S305-L307 VanDerWaalsContact C-N 3.32Å; S305-L307 PolarHBondContact O-N 3.35Å |
| 306 | T | 31.1 | Very low | 30.5 | Very low | 127 Ų | 127 | 134 Ų | 134 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | | | trans | -61 | 97.6 | 166.4 | 30.8 | 0 | 0 | 0 | 0 | 107.9 | S308 | T306-S308 PolarHBondContact O-N 2.8Š|
| 307 | L | 32.8 | Very low | 30.5 | Very low | 172 Ų | 172 | 133.5 Ų | 133.5 | 90% | 0.901 | 77% | 0.773 | S | S | * | * | | | trans | -61.2 | 99.4 | -178.8 | -161.9 | 77.1 | 0 | 0 | 0 | 108.9 | S305 R309 | S305-L307 VanDerWaalsContact C-N 3.32Å; S305-L307 PolarHBondContact O-N 3.35Å; L307-R309 PolarHBondContact O-N 3.43Å |
| 308 | S | 29.4 | Very low | 30.5 | Very low | 109 Ų | 109 | 134.9 Ų | 134.9 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | | | trans | -62 | 107.7 | -176.7 | 38 | 0 | 0 | 0 | 0 | 109.2 | T306 P310 | T306-S308 PolarHBondContact O-N 2.8Å; S308-P310 WeakPolarHBondContact O-CD 3.45Å |
| 309 | R | 30.3 | Very low | 30.6 | Very low | 236 Ų | 236 | 136.6 Ų | 136.6 | 89% | 0.891 | 78% | 0.776 | S | S | * | * | | | trans | -60.7 | 123.9 | -178.3 | -162.1 | 176.6 | -168.9 | -177 | 2.8 | 108.3 | L307 A311 | L307-R309 PolarHBondContact O-N 3.43Å; R309-A311 PolarHBondContact O-N 3.02Å; R309-A311 VanDerWaalsContact O-N 3.08Å |
| 310 | P | 32.1 | Very low | 30.5 | Very low | 106 Ų | 106 | 137.5 Ų | 137.5 | 69% | 0.688 | 77% | 0.769 | S | S | * | * | | | trans | -58.7 | 118.4 | -175.7 | -26.3 | 34.6 | 0 | 0 | 0 | 111.1 | S308 T312 | S308-P310 WeakPolarHBondContact O-CD 3.45Å; P310-T312 HydrophobicContact CB-CG2 4.43Å; P310-T312 PolarHBondContact O-N 3.41Å |
| 311 | A | 30.5 | Very low | 30.7 | Very low | 99 Ų | 99 | 141.5 Ų | 141.5 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | trans | -74.6 | 79.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | R309 S313 | R309-A311 PolarHBondContact O-N 3.02Å; R309-A311 VanDerWaalsContact O-N 3.08Å; A311-S313 VanDerWaalsContact C-N 3.29Å; A311-S313 PolarHBondContact O-N 3.33Å |
| 312 | T | 34.6 | Very low | 30.4 | Very low | 122 Ų | 122 | 141.5 Ų | 141.5 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | | | trans | -68.5 | 92.5 | 171.4 | 48.3 | 0 | 0 | 0 | 0 | 108.7 | P310 N314 | P310-T312 HydrophobicContact CB-CG2 4.43Å; P310-T312 PolarHBondContact O-N 3.41Å; T312-N314 PolarHBondContact O-N 3.24Å |
| 313 | S | 28.5 | Very low | 30.7 | Very low | 97 Ų | 97 | 142.7 Ų | 142.7 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | | | trans | -56.4 | 128.6 | 173.2 | 50.1 | 0 | 0 | 0 | 0 | 110.7 | A311 S315 | A311-S313 VanDerWaalsContact C-N 3.29Å; A311-S313 PolarHBondContact O-N 3.33Å; S313-S315 VanDerWaalsContact C-N 3.33Å; S313-S315 PolarHBondContact O-N 3.28Å |
| 314 | N | 29.2 | Very low | 30.9 | Very low | 162 Ų | 162 | 147.2 Ų | 147.2 | 87% | 0.866 | 78% | 0.783 | S | S | * | * | | | trans | -66.2 | 88.2 | 170.7 | -70.5 | -29.9 | 0 | 0 | 0 | 110.3 | T312 | T312-N314 PolarHBondContact O-N 3.24Š|
| 315 | S | 30.9 | Very low | 31 | Very low | 89 Ų | 89 | 145.5 Ų | 145.5 | 62% | 0.622 | 78% | 0.782 | S | S | * | * | | | trans | -103.1 | 89.2 | 163.8 | 59.3 | 0 | 0 | 0 | 0 | 109.1 | S313 C317 | S313-S315 VanDerWaalsContact C-N 3.33Å; S313-S315 PolarHBondContact O-N 3.28Å; S315-C317 PolarHBondContact O-N 2.84Å |
| 316 | I | 28.1 | Very low | 31.1 | Very low | 151 Ų | 151 | 147.8 Ų | 147.8 | 77% | 0.774 | 79% | 0.785 | S | S | * | * | | | trans | -71.2 | 78.2 | 166.7 | -60.8 | 173 | 0 | 0 | 0 | 107 | Q318 | I316-Q318 HydrophobicContact CG2-CG 4.33Å; I316-Q318 PolarHBondContact O-N 3.07Å |
| 317 | C | 28.7 | Very low | 31 | Very low | 109 Ų | 109 | 147.5 Ų | 147.5 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | | | trans | -80.1 | 97.2 | 168.8 | -80.4 | 0 | 0 | 0 | 0 | 108.7 | S315 M319 | S315-C317 PolarHBondContact O-N 2.84Å; C317-M319 PolarHBondContact O-N 2.85Å |
| 318 | Q | 30.9 | Very low | 30.9 | Very low | 155 Ų | 155 | 146.9 Ų | 146.9 | 72% | 0.724 | 79% | 0.785 | S | S | * | * | | | trans | -61.4 | 99.3 | 168.3 | -61.4 | 174.1 | 3.6 | 0 | 0 | 109.4 | I316 Y320 | I316-Q318 HydrophobicContact CG2-CG 4.33Å; I316-Q318 PolarHBondContact O-N 3.07Å; Q318-Y320 HydrophobicContact CB-CD2 4.36Å |
| 319 | M | 31.6 | Very low | 30.9 | Very low | 174 Ų | 174 | 152 Ų | 152 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | | | trans | -102.2 | 80.6 | 158.3 | -74.3 | -142.3 | -54 | 0 | 0 | 109.6 | C317 H321 | C317-M319 PolarHBondContact O-N 2.85Å; M319-H321 PolarHBondContact O-N 3Å |
| 320 | Y | 29.9 | Very low | 30.9 | Very low | 187 Ų | 187 | 145.3 Ų | 145.3 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | | | trans | -61.4 | 113.3 | 153.4 | -83.8 | -100.7 | 0 | 0 | 0 | 108.4 | Q318 | Q318-Y320 HydrophobicContact CB-CD2 4.36Š|
| 321 | H | 36 | Very low | 31 | Very low | 183 Ų | 183 | 147.4 Ų | 147.4 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | | | trans | -144.8 | 125.3 | 143.7 | -88.6 | -58 | 0 | 0 | 0 | 111.6 | M319 | M319-H321 PolarHBondContact O-N 3Š|
| 322 | H | 28.8 | Very low | 31.1 | Very low | 159 Ų | 159 | 149 Ų | 149 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | | | trans | -45.9 | 138.8 | 174.2 | -80.8 | -124.6 | 0 | 0 | 0 | 113.6 | | |
| 323 | K | 35.2 | Very low | 31.2 | Very low | 202 Ų | 202 | 151.2 Ų | 151.2 | 88% | 0.878 | 78% | 0.779 | S | S | * | * | | | | -153.5 | 114.1 | 120.1 | -106.6 | 157.6 | -171.6 | -179.1 | 0 | 110.2 | S325 | K323-S325 PolarHBondContact O-N 3.32Š|
| 324 | K | 31.8 | Very low | 31.7 | Very low | 202 Ų | 202 | 154.4 Ų | 154.4 | 88% | 0.878 | 78% | 0.784 | S | S | * | * | | | trans | -71.4 | 115.6 | 168.4 | -72.5 | 178.4 | 175 | 179.4 | 0 | 107.7 | | |
| 325 | S | 32 | Very low | 32 | Very low | 104 Ų | 104 | 156.9 Ų | 156.9 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | | | trans | -143.5 | 93.1 | 165.4 | 53.8 | 0 | 0 | 0 | 0 | 109.7 | K323 | K323-S325 PolarHBondContact O-N 3.32Š|
| 326 | N | 31 | Very low | 32.3 | Very low | 158 Ų | 158 | 159.3 Ų | 159.3 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | | | trans | 42.7 | 102.4 | 155.4 | -57.9 | -8.7 | 0 | 0 | 0 | 118.2 | L328 | N326-L328 PolarHBondContact O-N 3.34Š|
| 327 | S | 28.3 | Very low | 32.8 | Very low | 121 Ų | 121 | 162.2 Ų | 162.2 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | | | trans | -52.9 | 126.4 | 144.6 | 175.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 328 | L | 31.8 | Very low | 33.5 | Very low | 159 Ų | 159 | 163.1 Ų | 163.1 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | | | trans | -166.9 | 131.5 | 147.7 | -106.7 | 164.7 | 0 | 0 | 0 | 110.2 | N326 | N326-L328 PolarHBondContact O-N 3.34Š|
| 329 | R | 29 | Very low | 34.2 | Very low | 216 Ų | 216 | 161.9 Ų | 161.9 | 82% | 0.815 | 79% | 0.792 | S | S | * | * | | | trans | 61.1 | 92.8 | 172.2 | -84.8 | -179 | 154.2 | -175.5 | -8.2 | 118.3 | N331 | R329-N331 PolarHBondContact O-N 3.22Š|
| 330 | S | 29.4 | Very low | 34.8 | Very low | 96 Ų | 96 | 157.6 Ų | 157.6 | 67% | 0.671 | 78% | 0.779 | S | S | * | * | | | trans | -42.7 | 114.5 | 136 | 49.8 | 0 | 0 | 0 | 0 | 112 | | |
| 331 | N | 34.4 | Very low | 35.9 | Very low | 150 Ų | 150 | 151.2 Ų | 151.2 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | | | trans | -105.5 | 76 | 149.5 | -82.4 | -13.4 | 0 | 0 | 0 | 107 | R329 H333 | R329-N331 PolarHBondContact O-N 3.22Å; N331-H333 PolarHBondContact O-N 3.1Å; N331-H333 VanDerWaalsContact O-N 3.13Å |
| 332 | D | 34 | Very low | 36.8 | Very low | 133 Ų | 133 | 146.3 Ų | 146.3 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | | | trans | -61.6 | 111 | 160.7 | -72.4 | -56.9 | 0 | 0 | 0 | 107.6 | | |
| 333 | H | 36 | Very low | 38.4 | Very low | 169 Ų | 169 | 146.5 Ų | 146.5 | 78% | 0.782 | 74% | 0.741 | S | S | * | * | | | trans | -168.9 | 131.3 | 138.8 | -91.9 | -7.9 | 0 | 0 | 0 | 112.2 | N331 | N331-H333 PolarHBondContact O-N 3.1Å; N331-H333 VanDerWaalsContact O-N 3.13Å |
| 334 | Q | 38.9 | Very low | 39.9 | Very low | 164 Ų | 164 | 141.8 Ų | 141.8 | 77% | 0.766 | 73% | 0.725 | S | S | * | * | | | trans | 64 | 70.7 | 157.8 | -56.3 | -178.5 | 44.9 | 0 | 0 | 116.3 | I336 | Q334-I336 VanDerWaalsContact C-N 3.3Å; Q334-I336 PolarHBondContact O-N 3.04Å |
| 335 | F | 35.4 | Very low | 41.8 | Very low | 213 Ų | 213 | 140 Ų | 140 | 93% | 0.934 | 71% | 0.713 | S | S | * | * | | | trans | -53.4 | 104.2 | 136 | -89 | -87.8 | 0 | 0 | 0 | 108.1 | R337 | F335-R337 VanDerWaalsContact C-N 3.27Å; F335-R337 PolarHBondContact O-N 2.92Å |
| 336 | I | 37.6 | Very low | 44 | Very low | 141 Ų | 141 | 143.2 Ų | 143.2 | 72% | 0.723 | 71% | 0.709 | S | S | * | * | | | trans | -62.7 | 97 | 166.2 | -61.1 | 178.7 | 0 | 0 | 0 | 106.1 | Q334 V338 | Q334-I336 VanDerWaalsContact C-N 3.3Å; Q334-I336 PolarHBondContact O-N 3.04Å; I336-V338 VanDerWaalsContact C-N 3.28Å; I336-V338 PolarHBondContact O-N 3.45Å |
| 337 | R | 38.9 | Very low | 46.3 | Very low | 212 Ų | 212 | 138.5 Ų | 138.5 | 80% | 0.8 | 69% | 0.692 | S | S | * | * | | | trans | -56.8 | 105.4 | 155.7 | -91.2 | -172.2 | -179.2 | 178.6 | 3.2 | 105 | F335 L339 | F335-R337 VanDerWaalsContact C-N 3.27Å; F335-R337 PolarHBondContact O-N 2.92Å; R337-L339 PolarHBondContact O-N 3.04Å |
| 338 | V | 42.9 | Very low | 48.8 | Very low | 127 Ų | 127 | 138.1 Ų | 138.1 | 77% | 0.77 | 68% | 0.679 | S | S | * | * | | | trans | -61.7 | 90.4 | 159.8 | 179 | 0 | 0 | 0 | 0 | 105 | I336 S340 | I336-V338 VanDerWaalsContact C-N 3.28Å; I336-V338 PolarHBondContact O-N 3.45Å; V338-S340 PolarHBondContact O-N 3.39Å |
| 339 | L | 45.2 | Very low | 51.3 | Low | 130 Ų | 130 | 134.7 Ų | 134.7 | 68% | 0.681 | 66% | 0.661 | S | S | * | * | | | trans | -63.3 | 90.3 | 169 | -74.4 | 163.8 | 0 | 0 | 0 | 105.4 | R337 S341 | R337-L339 PolarHBondContact O-N 3.04Å; L339-S341 PolarHBondContact O-N 3.02Å |
| 340 | S | 44.8 | Very low | 54.1 | Low | 84 Ų | 84 | 130.6 Ų | 130.6 | 59% | 0.587 | 65% | 0.649 | S | S | * | * | | | trans | -52.7 | 108.1 | 163.4 | 58 | 0 | 0 | 0 | 0 | 105.8 | V338 D342 | V338-S340 PolarHBondContact O-N 3.39Å; S340-D342 PolarHBondContact O-N 3.11Å |
| 341 | S | 51.8 | Low | 56.7 | Low | 52 Ų | 52 | 128.8 Ų | 128.8 | 36% | 0.364 | 64% | 0.64 | S | S | . | * | | | trans | -29.3 | 109.5 | -172.1 | 171.6 | 0 | 0 | 0 | 0 | 112 | L339 K343 D344 R345 | L339-S341 PolarHBondContact O-N 3.02Å; S341-K343 PolarHBondContact O-N 3.1Å; S341-K343 VanDerWaalsContact OG-CB 3.27Å; S341-K343 WeakPolarHBondContact OG-CB 3.47Å; S341-K343 PolarHBondContact OG-N 3.38Å; S341-D344 PolarHBondContact O-N 3.03Å; S341-R345 PolarHBondContact O-N 3Å |
| 342 | D | 56.4 | Low | 59.2 | Low | 81 Ų | 81 | 125.9 Ų | 125.9 | 43% | 0.433 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -61.2 | -10.7 | 175.9 | -81.4 | -46.9 | 0 | 0 | 0 | 111.7 | S340 R346 | S340-D342 PolarHBondContact O-N 3.11Å; D342-R346 WeakPolarHBondContact O-CB 3.48Å; D342-R346 WeakPolarHBondContact O-CG 3.48Å; D342-R346 PolarHBondContact O-N 2.94Å; D342-R346 PolarHBondContact O-NE 3.08Å |
| 343 | K | 60.9 | Low | 61.8 | Low | 163 Ų | 163 | 123.7 Ų | 123.7 | 71% | 0.709 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.3 | -47.2 | 167.7 | -107.7 | 173.4 | 178.5 | 177.4 | 0 | 111.5 | S341 R346 A347 | S341-K343 PolarHBondContact O-N 3.1Å; S341-K343 VanDerWaalsContact OG-CB 3.27Å; S341-K343 WeakPolarHBondContact OG-CB 3.47Å; S341-K343 PolarHBondContact OG-N 3.38Å; K343-R346 PolarHBondContact O-N 3.28Å; K343-A347 PolarHBondContact O-N 3.04Å |
| 344 | D | 68.4 | Low | 64.4 | Low | 103 Ų | 103 | 120.4 Ų | 120.4 | 55% | 0.551 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -67.6 | -43.4 | -178.5 | -64 | -19 | 0 | 0 | 0 | 111.1 | S341 R346 A347 I348 | S341-D344 PolarHBondContact O-N 3.03Å; D344-R346 VanDerWaalsContact C-N 3.28Å; D344-R346 PolarHBondContact O-N 3.15Å; D344-A347 WeakPolarHBondContact O-CB 3.34Å; D344-A347 PolarHBondContact O-N 3.16Å; D344-A347 VanDerWaalsContact O-N 3.09Å; D344-I348 WeakPolarHBondContact O-CG1 3.37Å; D344-I348 PolarHBondContact O-N 3.06Å |
| 345 | R | 71.8 | Confident | 66.8 | Low | 165 Ų | 165 | 119.5 Ų | 119.5 | 62% | 0.623 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -62.7 | -36.1 | 178.5 | -159.9 | 174 | 177 | -163.3 | -1.5 | 111.9 | S341 I349 | S341-R345 PolarHBondContact O-N 3Å; R345-I349 HydrophobicContact CG-CD1 4.44Å; R345-I349 WeakPolarHBondContact O-CD1 3.42Å; R345-I349 VanDerWaalsContact O-CG1 3.24Å; R345-I349 WeakPolarHBondContact O-CG1 3.47Å; R345-I349 PolarHBondContact O-N 3.39Å |
| 346 | R | 76.3 | Confident | 69.3 | Low | 170 Ų | 170 | 116 Ų | 116 | 64% | 0.642 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -69.9 | -38.1 | 171.7 | -80.9 | 179.1 | -80.4 | -156.5 | -5.2 | 112.8 | D342 K343 D344 K350 | D342-R346 WeakPolarHBondContact O-CB 3.48Å; D342-R346 WeakPolarHBondContact O-CG 3.48Å; D342-R346 PolarHBondContact O-N 2.94Å; D342-R346 PolarHBondContact O-NE 3.08Å; K343-R346 PolarHBondContact O-N 3.28Å; D344-R346 VanDerWaalsContact C-N 3.28Å; D344-R346 PolarHBondContact O-N 3.15Å; R346-K350 WeakPolarHBondContact O-CB 3.23Å; R346-K350 PolarHBondContact O-N 3.43Å |
| 347 | A | 80.8 | Confident | 71.8 | Confident | 59 Ų | 59 | 115.4 Ų | 115.4 | 49% | 0.488 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.4 | -44.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | K343 D344 K350 A351 | K343-A347 PolarHBondContact O-N 3.04Å; D344-A347 WeakPolarHBondContact O-CB 3.34Å; D344-A347 PolarHBondContact O-N 3.16Å; D344-A347 VanDerWaalsContact O-N 3.09Å; A347-K350 PolarHBondContact O-N 3.36Å; A347-A351 PolarHBondContact O-N 2.77Å |
| 348 | I | 81.4 | Confident | 74.2 | Confident | 114 Ų | 114 | 107.6 Ų | 107.6 | 59% | 0.585 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.1 | -48.8 | 176.6 | -65.8 | 163.3 | 0 | 0 | 0 | 110.9 | D344 K350 A351 E352 | D344-I348 WeakPolarHBondContact O-CG1 3.37Å; D344-I348 PolarHBondContact O-N 3.06Å; I348-K350 VanDerWaalsContact C-N 3.29Å; I348-K350 PolarHBondContact O-N 2.88Å; I348-A351 PolarHBondContact O-N 3.01Å; I348-E352 PolarHBondContact O-N 3.33Å |
| 349 | I | 82.5 | Confident | 76.2 | Confident | 86 Ų | 86 | 105.4 Ų | 105.4 | 44% | 0.441 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.8 | -37.5 | 178.4 | -68.6 | 165.9 | 0 | 0 | 0 | 111.4 | R345 N353 | R345-I349 HydrophobicContact CG-CD1 4.44Å; R345-I349 WeakPolarHBondContact O-CD1 3.42Å; R345-I349 VanDerWaalsContact O-CG1 3.24Å; R345-I349 WeakPolarHBondContact O-CG1 3.47Å; R345-I349 PolarHBondContact O-N 3.39Å; I349-N353 WeakPolarHBondContact O-CB 3.33Å; I349-N353 PolarHBondContact O-N 3.03Å; I349-N353 PolarHBondContact O-ND2 3.45Å |
| 350 | K | 88.5 | Confident | 78.2 | Confident | 131 Ų | 131 | 106.2 Ų | 106.2 | 57% | 0.57 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.1 | -50.7 | 176 | -176.8 | 178.7 | 167.4 | -176.7 | 0 | 111.3 | R346 A347 I348 E352 N353 E354 | R346-K350 WeakPolarHBondContact O-CB 3.23Å; R346-K350 PolarHBondContact O-N 3.43Å; A347-K350 PolarHBondContact O-N 3.36Å; I348-K350 VanDerWaalsContact C-N 3.29Å; I348-K350 PolarHBondContact O-N 2.88Å; K350-E352 VanDerWaalsContact C-N 3.31Å; K350-E352 PolarHBondContact O-N 3.19Å; K350-N353 PolarHBondContact O-N 3.48Å; K350-E354 WeakPolarHBondContact CE-OE1 3.38Å; K350-E354 IonicContact NZ-OE1 2.64Å; K350-E354 WeakPolarHBondContact O-CG 3.4Å; K350-E354 PolarHBondContact O-N 2.88Å |
| 351 | A | 84.8 | Confident | 80.3 | Confident | 57 Ų | 57 | 108.8 Ų | 108.8 | 47% | 0.471 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.8 | -37.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A347 I348 E354 K355 | A347-A351 PolarHBondContact O-N 2.77Å; I348-A351 PolarHBondContact O-N 3.01Å; A351-E354 PolarHBondContact O-N 2.97Å; A351-K355 WeakPolarHBondContact O-CB 3.34Å; A351-K355 PolarHBondContact O-N 3.37Å |
| 352 | E | 86.3 | Confident | 81.7 | Confident | 90 Ų | 90 | 111.8 Ų | 111.8 | 42% | 0.421 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.1 | -39.9 | 175.5 | -160.1 | -165.3 | 143.6 | 0 | 0 | 112.1 | I348 K350 K355 R356 | I348-E352 PolarHBondContact O-N 3.33Å; K350-E352 VanDerWaalsContact C-N 3.31Å; K350-E352 PolarHBondContact O-N 3.19Å; E352-K355 PolarHBondContact O-N 3.36Å; E352-R356 VanDerWaalsContact O-CG 3.29Å; E352-R356 WeakPolarHBondContact O-CG 3.36Å; E352-R356 PolarHBondContact O-N 2.95Å; E352-R356 IonicContact OE1-CZ 3.11Å; E352-R356 IonicContact OE1-NE 3.78Å; E352-R356 PolarHBondContact OE1-NE 3.3Å; E352-R356 IonicContact OE1-NH2 3.24Å; E352-R356 PolarHBondContact OE1-NH2 2.93Å |
| 353 | N | 88.1 | Confident | 83 | Confident | 86 Ų | 86 | 114.1 Ų | 114.1 | 46% | 0.46 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.9 | -41 | 175.1 | -81.1 | -32 | 0 | 0 | 0 | 112.4 | I349 K350 R356 Q357 | I349-N353 WeakPolarHBondContact O-CB 3.33Å; I349-N353 PolarHBondContact O-N 3.03Å; I349-N353 PolarHBondContact O-ND2 3.45Å; K350-N353 PolarHBondContact O-N 3.48Å; N353-R356 PolarHBondContact O-N 3.19Å; N353-Q357 WeakPolarHBondContact O-CG 3.31Å; N353-Q357 PolarHBondContact O-N 3.18Å |
| 354 | E | 90.4 | Very high | 84 | Confident | 100 Ų | 100 | 112.4 Ų | 112.4 | 47% | 0.467 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 174.4 | -73.4 | 170 | 176.9 | 0 | 0 | 111 | K350 A351 R356 Q357 A358 | K350-E354 WeakPolarHBondContact CE-OE1 3.38Å; K350-E354 IonicContact NZ-OE1 2.64Å; K350-E354 WeakPolarHBondContact O-CG 3.4Å; K350-E354 PolarHBondContact O-N 2.88Å; A351-E354 PolarHBondContact O-N 2.97Å; E354-R356 PolarHBondContact O-N 3.42Å; E354-Q357 PolarHBondContact O-N 2.87Å; E354-Q357 VanDerWaalsContact O-N 3.17Å; E354-A358 PolarHBondContact O-N 2.86Å |
| 355 | K | 89.7 | Confident | 84.5 | Confident | 146 Ų | 146 | 112.3 Ų | 112.3 | 64% | 0.635 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -58.8 | -43.5 | 172.6 | -176.9 | 177 | 179.4 | 177.5 | 0 | 112.3 | A351 E352 Q357 A358 I359 | A351-K355 WeakPolarHBondContact O-CB 3.34Å; A351-K355 PolarHBondContact O-N 3.37Å; E352-K355 PolarHBondContact O-N 3.36Å; K355-Q357 VanDerWaalsContact C-N 3.33Å; K355-Q357 PolarHBondContact O-N 3.05Å; K355-A358 PolarHBondContact O-N 3.29Å; K355-I359 HydrophobicContact CG-CD1 4.11Å; K355-I359 WeakPolarHBondContact O-CG1 3.44Å; K355-I359 PolarHBondContact O-N 3.36Å; K355-I359 VanDerWaalsContact O-N 3.09Å |
| 356 | R | 89.2 | Confident | 84.9 | Confident | 140 Ų | 140 | 107.1 Ų | 107.1 | 53% | 0.528 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.7 | -32.6 | 176.8 | -72.7 | 169.9 | -179.3 | -90.5 | 4.6 | 112.4 | E352 N353 E354 K360 | E352-R356 VanDerWaalsContact O-CG 3.29Å; E352-R356 WeakPolarHBondContact O-CG 3.36Å; E352-R356 PolarHBondContact O-N 2.95Å; E352-R356 IonicContact OE1-CZ 3.11Å; E352-R356 IonicContact OE1-NE 3.78Å; E352-R356 PolarHBondContact OE1-NE 3.3Å; E352-R356 IonicContact OE1-NH2 3.24Å; E352-R356 PolarHBondContact OE1-NH2 2.93Å; N353-R356 PolarHBondContact O-N 3.19Å; E354-R356 PolarHBondContact O-N 3.42Å; R356-K360 WeakPolarHBondContact O-CG 3.47Å; R356-K360 PolarHBondContact O-N 2.95Å |
| 357 | Q | 89.2 | Confident | 85.3 | Confident | 127 Ų | 127 | 103 Ų | 103 | 59% | 0.593 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -71.8 | -44.1 | 174.2 | -73.5 | 179.8 | 1.8 | 0 | 0 | 112 | N353 E354 K355 I359 K360 Q361 | N353-Q357 WeakPolarHBondContact O-CG 3.31Å; N353-Q357 PolarHBondContact O-N 3.18Å; E354-Q357 PolarHBondContact O-N 2.87Å; E354-Q357 VanDerWaalsContact O-N 3.17Å; K355-Q357 VanDerWaalsContact C-N 3.33Å; K355-Q357 PolarHBondContact O-N 3.05Å; Q357-I359 PolarHBondContact O-N 3.36Å; Q357-K360 WeakPolarHBondContact O-CB 3.5Å; Q357-K360 PolarHBondContact O-N 2.85Å; Q357-Q361 PolarHBondContact O-N 3.42Å |
| 358 | A | 88.4 | Confident | 85.6 | Confident | 48 Ų | 48 | 105.2 Ų | 105.2 | 40% | 0.397 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -58.9 | -45.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E354 K355 K360 Q361 I362 | E354-A358 PolarHBondContact O-N 2.86Å; K355-A358 PolarHBondContact O-N 3.29Å; A358-K360 VanDerWaalsContact C-N 3.31Å; A358-K360 PolarHBondContact O-N 2.87Å; A358-Q361 PolarHBondContact O-N 3Å; A358-Q361 VanDerWaalsContact O-N 3.16Å; A358-I362 WeakPolarHBondContact O-CG1 3.49Å; A358-I362 PolarHBondContact O-N 2.74Å |
| 359 | I | 86.4 | Confident | 85.9 | Confident | 81 Ų | 81 | 106.6 Ų | 106.6 | 42% | 0.415 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -58.9 | -41.7 | 176.2 | -68 | 165.1 | 0 | 0 | 0 | 111.4 | K355 Q357 Q361 I362 Q363 | K355-I359 HydrophobicContact CG-CD1 4.11Å; K355-I359 WeakPolarHBondContact O-CG1 3.44Å; K355-I359 PolarHBondContact O-N 3.36Å; K355-I359 VanDerWaalsContact O-N 3.09Å; Q357-I359 PolarHBondContact O-N 3.36Å; I359-Q361 PolarHBondContact O-N 2.76Å; I359-I362 PolarHBondContact O-N 2.71Å; I359-Q363 WeakPolarHBondContact O-CG 3.48Å; I359-Q363 PolarHBondContact O-N 2.98Å |
| 360 | K | 86.1 | Confident | 86.1 | Confident | 148 Ų | 148 | 105.3 Ų | 105.3 | 64% | 0.643 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.1 | -38.4 | 176.7 | -75.4 | 178.6 | 177.8 | -172.4 | 0 | 112.7 | R356 Q357 A358 L364 | R356-K360 WeakPolarHBondContact O-CG 3.47Å; R356-K360 PolarHBondContact O-N 2.95Å; Q357-K360 WeakPolarHBondContact O-CB 3.5Å; Q357-K360 PolarHBondContact O-N 2.85Å; A358-K360 VanDerWaalsContact C-N 3.31Å; A358-K360 PolarHBondContact O-N 2.87Å; K360-L364 PolarHBondContact O-N 3.08Å |
| 361 | Q | 88.2 | Confident | 85.9 | Confident | 137 Ų | 137 | 104.8 Ų | 104.8 | 64% | 0.64 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.1 | -43.2 | 176.6 | -71.9 | -173.5 | -8.3 | 0 | 0 | 111.8 | Q357 A358 I359 Q363 L364 L365 | Q357-Q361 PolarHBondContact O-N 3.42Å; A358-Q361 PolarHBondContact O-N 3Å; A358-Q361 VanDerWaalsContact O-N 3.16Å; I359-Q361 PolarHBondContact O-N 2.76Å; Q361-Q363 VanDerWaalsContact C-N 3.32Å; Q361-Q363 PolarHBondContact O-N 3.31Å; Q361-L364 WeakPolarHBondContact O-CB 3.28Å; Q361-L364 PolarHBondContact O-N 3.26Å; Q361-L364 VanDerWaalsContact O-N 3.12Å; Q361-L365 WeakPolarHBondContact O-CG 3.18Å; Q361-L365 PolarHBondContact O-N 3.43Å |
| 362 | I | 81.3 | Confident | 86.1 | Confident | 116 Ų | 116 | 107 Ų | 107 | 60% | 0.595 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60 | -42.9 | 176.3 | -64.9 | 167.8 | 0 | 0 | 0 | 110.9 | A358 I359 L364 L365 A366 | A358-I362 WeakPolarHBondContact O-CG1 3.49Å; A358-I362 PolarHBondContact O-N 2.74Å; I359-I362 PolarHBondContact O-N 2.71Å; I362-L364 VanDerWaalsContact C-N 3.33Å; I362-L364 PolarHBondContact O-N 2.98Å; I362-L365 PolarHBondContact O-N 2.71Å; I362-A366 PolarHBondContact O-N 2.95Å |
| 363 | Q | 84.8 | Confident | 86.3 | Confident | 130 Ų | 130 | 108.4 Ų | 108.4 | 61% | 0.607 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.5 | -35.3 | 175.4 | -73.8 | 179 | -26.8 | 0 | 0 | 113 | I359 Q361 S367 | I359-Q363 WeakPolarHBondContact O-CG 3.48Å; I359-Q363 PolarHBondContact O-N 2.98Å; Q361-Q363 VanDerWaalsContact C-N 3.32Å; Q361-Q363 PolarHBondContact O-N 3.31Å; Q363-S367 WeakPolarHBondContact O-CB 3.47Å; Q363-S367 PolarHBondContact O-N 2.82Å; Q363-S367 VanDerWaalsContact O-N 3.16Å |
| 364 | L | 81 | Confident | 86.3 | Confident | 127 Ų | 127 | 107 Ų | 107 | 67% | 0.665 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.8 | -47.3 | 175.8 | -135.9 | 85.2 | 0 | 0 | 0 | 111.2 | K360 Q361 I362 S367 E368 | K360-L364 PolarHBondContact O-N 3.08Å; Q361-L364 WeakPolarHBondContact O-CB 3.28Å; Q361-L364 PolarHBondContact O-N 3.26Å; Q361-L364 VanDerWaalsContact O-N 3.12Å; I362-L364 VanDerWaalsContact C-N 3.33Å; I362-L364 PolarHBondContact O-N 2.98Å; L364-S367 WeakPolarHBondContact O-CB 3.49Å; L364-S367 PolarHBondContact O-N 3Å; L364-E368 PolarHBondContact O-N 2.93Å |
| 365 | L | 79.8 | Confident | 86.5 | Confident | 100 Ų | 100 | 111.2 Ų | 111.2 | 52% | 0.524 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.1 | -44.1 | -179.8 | -67.4 | 171 | 0 | 0 | 0 | 111.9 | Q361 I362 S367 E368 E369 | Q361-L365 WeakPolarHBondContact O-CG 3.18Å; Q361-L365 PolarHBondContact O-N 3.43Å; I362-L365 PolarHBondContact O-N 2.71Å; L365-S367 VanDerWaalsContact C-N 3.27Å; L365-S367 PolarHBondContact O-N 3.35Å; L365-E368 WeakPolarHBondContact O-CB 3.45Å; L365-E368 PolarHBondContact O-N 3.17Å; L365-E369 PolarHBondContact O-N 3.34Å |
| 366 | A | 80.4 | Confident | 86.8 | Confident | 57 Ų | 57 | 109.4 Ų | 109.4 | 47% | 0.471 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.8 | -34.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I362 A370 | I362-A366 PolarHBondContact O-N 2.95Å; A366-A370 PolarHBondContact O-N 3.28Å |
| 367 | S | 83.2 | Confident | 87.1 | Confident | 82 Ų | 82 | 108.4 Ų | 108.4 | 57% | 0.573 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -71.5 | -30.3 | 172.9 | -173.3 | 0 | 0 | 0 | 0 | 112.9 | Q363 L364 L365 L371 | Q363-S367 WeakPolarHBondContact O-CB 3.47Å; Q363-S367 PolarHBondContact O-N 2.82Å; Q363-S367 VanDerWaalsContact O-N 3.16Å; L364-S367 WeakPolarHBondContact O-CB 3.49Å; L364-S367 PolarHBondContact O-N 3Å; L365-S367 VanDerWaalsContact C-N 3.27Å; L365-S367 PolarHBondContact O-N 3.35Å; S367-L371 WeakPolarHBondContact O-CB 3.42Å; S367-L371 PolarHBondContact O-N 3.33Å |
| 368 | E | 88 | Confident | 87.3 | Confident | 106 Ų | 106 | 105.1 Ų | 105.1 | 50% | 0.495 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -73.7 | -43.4 | 178.1 | -173.1 | 167 | -166.4 | 0 | 0 | 111.3 | L364 L365 A370 L371 I372 | L364-E368 PolarHBondContact O-N 2.93Å; L365-E368 WeakPolarHBondContact O-CB 3.45Å; L365-E368 PolarHBondContact O-N 3.17Å; E368-A370 PolarHBondContact O-N 2.89Å; E368-L371 WeakPolarHBondContact O-CB 3.44Å; E368-L371 PolarHBondContact O-N 2.91Å; E368-L371 VanDerWaalsContact O-N 3.15Å; E368-I372 HydrophobicContact CG-CD1 4.09Å; E368-I372 VanDerWaalsContact O-CG1 3.31Å; E368-I372 WeakPolarHBondContact O-CG1 3.49Å; E368-I372 PolarHBondContact O-N 3.45Å |
| 369 | E | 87.8 | Confident | 87.6 | Confident | 143 Ų | 143 | 107 Ų | 107 | 67% | 0.668 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -58.6 | -45.8 | 173.4 | -71.6 | -179.6 | 175.7 | 0 | 0 | 112.1 | L365 L371 I372 L373 | L365-E369 PolarHBondContact O-N 3.34Å; E369-L371 VanDerWaalsContact C-N 3.3Å; E369-L371 PolarHBondContact O-N 2.68Å; E369-I372 PolarHBondContact O-N 3.23Å; E369-L373 PolarHBondContact O-N 3.16Å |
| 370 | A | 85.9 | Confident | 88.1 | Confident | 60 Ų | 60 | 107.3 Ų | 107.3 | 50% | 0.496 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.4 | -37.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A366 E368 A374 | A366-A370 PolarHBondContact O-N 3.28Å; E368-A370 PolarHBondContact O-N 2.89Å; A370-A374 WeakPolarHBondContact O-CB 3.3Å; A370-A374 PolarHBondContact O-N 3.06Å |
| 371 | L | 85.3 | Confident | 88.5 | Confident | 120 Ų | 120 | 108.1 Ų | 108.1 | 63% | 0.628 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -69.7 | -40 | 176.3 | -179.1 | 64.1 | 0 | 0 | 0 | 112.1 | S367 E368 E369 A374 R375 | S367-L371 WeakPolarHBondContact O-CB 3.42Å; S367-L371 PolarHBondContact O-N 3.33Å; E368-L371 WeakPolarHBondContact O-CB 3.44Å; E368-L371 PolarHBondContact O-N 2.91Å; E368-L371 VanDerWaalsContact O-N 3.15Å; E369-L371 VanDerWaalsContact C-N 3.3Å; E369-L371 PolarHBondContact O-N 2.68Å; L371-A374 PolarHBondContact O-N 3.08Å; L371-R375 WeakPolarHBondContact O-CB 3.34Å; L371-R375 PolarHBondContact O-N 3Å |
| 372 | I | 88.8 | Confident | 88.9 | Confident | 102 Ų | 102 | 107.9 Ų | 107.9 | 52% | 0.523 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -62.2 | -47.6 | 175.2 | -69.4 | 164.8 | 0 | 0 | 0 | 110 | E368 E369 A374 R375 Q376 | E368-I372 HydrophobicContact CG-CD1 4.09Å; E368-I372 VanDerWaalsContact O-CG1 3.31Å; E368-I372 WeakPolarHBondContact O-CG1 3.49Å; E368-I372 PolarHBondContact O-N 3.45Å; E369-I372 PolarHBondContact O-N 3.23Å; I372-A374 PolarHBondContact O-N 3.48Å; I372-R375 WeakPolarHBondContact O-CB 3.45Å; I372-R375 PolarHBondContact O-N 2.81Å; I372-Q376 PolarHBondContact O-N 2.93Å |
| 373 | L | 89.4 | Confident | 89.6 | Confident | 121 Ų | 121 | 108.1 Ų | 108.1 | 63% | 0.634 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -60.3 | -44.5 | 177.2 | -165.8 | 95 | 0 | 0 | 0 | 111.8 | E369 R375 Q376 K377 | E369-L373 PolarHBondContact O-N 3.16Å; L373-R375 VanDerWaalsContact C-N 3.33Å; L373-R375 PolarHBondContact O-N 3.03Å; L373-Q376 PolarHBondContact O-N 2.78Å; L373-K377 WeakPolarHBondContact O-CB 3.34Å; L373-K377 PolarHBondContact O-N 3.47Å |
| 374 | A | 88.7 | Confident | 90.1 | Very high | 57 Ų | 57 | 106 Ų | 106 | 47% | 0.471 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.1 | -39.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A370 L371 I372 A378 | A370-A374 WeakPolarHBondContact O-CB 3.3Å; A370-A374 PolarHBondContact O-N 3.06Å; L371-A374 PolarHBondContact O-N 3.08Å; I372-A374 PolarHBondContact O-N 3.48Å; A374-A378 WeakPolarHBondContact O-CB 3.31Å; A374-A378 PolarHBondContact O-N 3Å |
| 375 | R | 94.4 | Very high | 90.9 | Very high | 188 Ų | 188 | 106.6 Ų | 106.6 | 71% | 0.709 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.1 | -42.3 | 176.2 | -173.8 | 177.4 | -177.2 | 175.3 | 1.1 | 111.9 | L371 I372 L373 A378 L379 | L371-R375 WeakPolarHBondContact O-CB 3.34Å; L371-R375 PolarHBondContact O-N 3Å; I372-R375 WeakPolarHBondContact O-CB 3.45Å; I372-R375 PolarHBondContact O-N 2.81Å; L373-R375 VanDerWaalsContact C-N 3.33Å; L373-R375 PolarHBondContact O-N 3.03Å; R375-A378 PolarHBondContact O-N 3.38Å; R375-L379 WeakPolarHBondContact O-CG 3.5Å; R375-L379 PolarHBondContact O-N 2.98Å |
| 376 | Q | 96.1 | Very high | 91.7 | Very high | 108 Ų | 108 | 106.5 Ų | 106.5 | 51% | 0.505 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61 | -50.8 | 175.6 | -178.3 | 179.9 | -26.8 | 0 | 0 | 111.1 | I372 L373 A378 L379 E380 | I372-Q376 PolarHBondContact O-N 2.93Å; L373-Q376 PolarHBondContact O-N 2.78Å; Q376-A378 PolarHBondContact O-N 2.7Å; Q376-L379 WeakPolarHBondContact O-CA 3.49Å; Q376-L379 WeakPolarHBondContact O-CB 3.44Å; Q376-L379 PolarHBondContact O-N 3.01Å; Q376-E380 WeakPolarHBondContact CG-OE1 3.43Å; Q376-E380 PolarHBondContact NE2-OE1 3.01Å; Q376-E380 PolarHBondContact O-N 3.34Å |
| 377 | K | 94.9 | Very high | 92.5 | Very high | 119 Ų | 119 | 108.5 Ų | 108.5 | 52% | 0.517 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.7 | -31.5 | 177.5 | -169.2 | 169.3 | -172.9 | 167.3 | 0 | 112.9 | L373 R381 | L373-K377 WeakPolarHBondContact O-CB 3.34Å; L373-K377 PolarHBondContact O-N 3.47Å; K377-R381 WeakPolarHBondContact O-CB 3.35Å; K377-R381 WeakPolarHBondContact O-CD 3.29Å; K377-R381 VanDerWaalsContact O-CG 3.26Å; K377-R381 WeakPolarHBondContact O-CG 3.49Å; K377-R381 PolarHBondContact O-N 3.34Å |
| 378 | A | 93.3 | Very high | 93.1 | Very high | 58 Ų | 58 | 110.1 Ų | 110.1 | 48% | 0.479 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -71.3 | -35.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113 | A374 R375 Q376 R382 | A374-A378 WeakPolarHBondContact O-CB 3.31Å; A374-A378 PolarHBondContact O-N 3Å; R375-A378 PolarHBondContact O-N 3.38Å; Q376-A378 PolarHBondContact O-N 2.7Å; A378-R382 PolarHBondContact O-N 2.68Å; A378-R382 VanDerWaalsContact O-N 3.12Å |
| 379 | L | 96.3 | Very high | 93.5 | Very high | 87 Ų | 87 | 110.1 Ų | 110.1 | 46% | 0.455 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -69.9 | -42.6 | 175 | -71 | 169.9 | 0 | 0 | 0 | 112 | R375 Q376 R381 R382 Q383 | R375-L379 WeakPolarHBondContact O-CG 3.5Å; R375-L379 PolarHBondContact O-N 2.98Å; Q376-L379 WeakPolarHBondContact O-CA 3.49Å; Q376-L379 WeakPolarHBondContact O-CB 3.44Å; Q376-L379 PolarHBondContact O-N 3.01Å; L379-R381 VanDerWaalsContact C-N 3.35Å; L379-R381 PolarHBondContact O-N 2.76Å; L379-R382 CarbonylContact O-C 3.6Å; L379-R382 WeakPolarHBondContact O-CA 3.37Å; L379-R382 WeakPolarHBondContact O-CB 3.37Å; L379-R382 PolarHBondContact O-N 3.02Å; L379-Q383 WeakPolarHBondContact O-CG 3.47Å; L379-Q383 PolarHBondContact O-N 3.31Å |
| 380 | E | 95.7 | Very high | 94 | Very high | 88 Ų | 88 | 108.4 Ų | 108.4 | 41% | 0.411 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.5 | -44.4 | 174.3 | -69 | 164.1 | -174 | 0 | 0 | 111.4 | Q376 R382 Q383 T384 | Q376-E380 WeakPolarHBondContact CG-OE1 3.43Å; Q376-E380 PolarHBondContact NE2-OE1 3.01Å; Q376-E380 PolarHBondContact O-N 3.34Å; E380-R382 PolarHBondContact O-N 3.02Å; E380-Q383 PolarHBondContact O-N 3.27Å; E380-T384 WeakPolarHBondContact O-CG2 3.39Å; E380-T384 PolarHBondContact O-N 3.3Å; E380-T384 PolarHBondContact O-OG1 2.9Å |
| 381 | R | 94.7 | Very high | 94.5 | Very high | 164 Ų | 164 | 111.8 Ų | 111.8 | 62% | 0.619 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.6 | -25.2 | 172.4 | -76.4 | 172.7 | 169.5 | -173.4 | -4.7 | 113.9 | K377 L379 T384 K385 | K377-R381 WeakPolarHBondContact O-CB 3.35Å; K377-R381 WeakPolarHBondContact O-CD 3.29Å; K377-R381 VanDerWaalsContact O-CG 3.26Å; K377-R381 WeakPolarHBondContact O-CG 3.49Å; K377-R381 PolarHBondContact O-N 3.34Å; L379-R381 VanDerWaalsContact C-N 3.35Å; L379-R381 PolarHBondContact O-N 2.76Å; R381-T384 WeakPolarHBondContact CA-OG1 3.24Å; R381-T384 PolarHBondContact O-OG1 3.37Å; R381-K385 WeakPolarHBondContact O-CG 3.01Å |
| 382 | R | 96.8 | Very high | 95.1 | Very high | 132 Ų | 132 | 109.6 Ų | 109.6 | 50% | 0.498 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -81.9 | -41.2 | 175.1 | -179.9 | 178.2 | 172.3 | 178.8 | -4.3 | 111.3 | A378 L379 E380 K385 L386 | A378-R382 PolarHBondContact O-N 2.68Å; A378-R382 VanDerWaalsContact O-N 3.12Å; L379-R382 CarbonylContact O-C 3.6Å; L379-R382 WeakPolarHBondContact O-CA 3.37Å; L379-R382 WeakPolarHBondContact O-CB 3.37Å; L379-R382 PolarHBondContact O-N 3.02Å; E380-R382 PolarHBondContact O-N 3.02Å; R382-K385 PolarHBondContact O-N 3.41Å; R382-L386 HydrophobicContact CG-CD1 4.27Å; R382-L386 WeakPolarHBondContact O-CG 3.5Å; R382-L386 PolarHBondContact O-N 3.18Å |
| 383 | Q | 96.5 | Very high | 95.6 | Very high | 122 Ų | 122 | 110 Ų | 110 | 57% | 0.57 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.9 | -47.5 | 177.5 | -73.5 | 171.7 | -23 | 0 | 0 | 111.7 | L379 E380 K385 L386 I387 | L379-Q383 WeakPolarHBondContact O-CG 3.47Å; L379-Q383 PolarHBondContact O-N 3.31Å; E380-Q383 PolarHBondContact O-N 3.27Å; Q383-K385 PolarHBondContact O-N 2.93Å; Q383-L386 WeakPolarHBondContact O-CB 3.48Å; Q383-L386 PolarHBondContact O-N 2.96Å; Q383-L386 VanDerWaalsContact O-N 3.07Å; Q383-I387 WeakPolarHBondContact O-CG1 3.45Å; Q383-I387 PolarHBondContact O-N 3.48Å |
| 384 | T | 95.4 | Very high | 95.9 | Very high | 86 Ų | 86 | 109.1 Ų | 109.1 | 53% | 0.528 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -55.5 | -47 | 175.2 | 43.2 | 0 | 0 | 0 | 0 | 112.5 | E380 R381 L386 I387 E388 | E380-T384 WeakPolarHBondContact O-CG2 3.39Å; E380-T384 PolarHBondContact O-N 3.3Å; E380-T384 PolarHBondContact O-OG1 2.9Å; R381-T384 WeakPolarHBondContact CA-OG1 3.24Å; R381-T384 PolarHBondContact O-OG1 3.37Å; T384-L386 VanDerWaalsContact C-N 3.35Å; T384-L386 PolarHBondContact O-N 3.23Å; T384-I387 PolarHBondContact O-N 3.46Å; T384-E388 PolarHBondContact O-N 2.99Å |
| 385 | K | 97 | Very high | 96.3 | Very high | 138 Ų | 138 | 111.7 Ų | 111.7 | 60% | 0.6 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62 | -36.1 | 174 | -75.1 | -176.9 | 176.7 | -170.8 | 0 | 113.7 | R381 R382 Q383 E388 I389 | R381-K385 WeakPolarHBondContact O-CG 3.01Å; R382-K385 PolarHBondContact O-N 3.41Å; Q383-K385 PolarHBondContact O-N 2.93Å; K385-E388 PolarHBondContact O-N 3.42Å; K385-I389 WeakPolarHBondContact O-CB 3.34Å; K385-I389 WeakPolarHBondContact O-CD1 3.49Å; K385-I389 VanDerWaalsContact O-CG1 3.23Å; K385-I389 WeakPolarHBondContact O-CG1 3.45Å; K385-I389 PolarHBondContact O-N 3.37Å |
| 386 | L | 96.7 | Very high | 96.4 | Very high | 98 Ų | 98 | 109.6 Ų | 109.6 | 51% | 0.513 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68.1 | -39.2 | 176.8 | -74.2 | 168.7 | 0 | 0 | 0 | 111.9 | R382 Q383 T384 I389 H390 | R382-L386 HydrophobicContact CG-CD1 4.27Å; R382-L386 WeakPolarHBondContact O-CG 3.5Å; R382-L386 PolarHBondContact O-N 3.18Å; Q383-L386 WeakPolarHBondContact O-CB 3.48Å; Q383-L386 PolarHBondContact O-N 2.96Å; Q383-L386 VanDerWaalsContact O-N 3.07Å; T384-L386 VanDerWaalsContact C-N 3.35Å; T384-L386 PolarHBondContact O-N 3.23Å; L386-I389 PolarHBondContact O-N 2.93Å; L386-H390 WeakPolarHBondContact O-CB 3.36Å; L386-H390 PolarHBondContact O-N 3.44Å |
| 387 | I | 96.8 | Very high | 96.5 | Very high | 100 Ų | 100 | 110.5 Ų | 110.5 | 51% | 0.513 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.8 | -43.8 | 174.4 | -66.3 | 163 | 0 | 0 | 0 | 110.5 | Q383 T384 H390 K391 | Q383-I387 WeakPolarHBondContact O-CG1 3.45Å; Q383-I387 PolarHBondContact O-N 3.48Å; T384-I387 PolarHBondContact O-N 3.46Å; I387-H390 PolarHBondContact O-N 2.99Å; I387-K391 PolarHBondContact O-N 3.44Å |
| 388 | E | 96.2 | Very high | 96.6 | Very high | 115 Ų | 115 | 111.4 Ų | 111.4 | 54% | 0.537 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.3 | -46.8 | 176 | -166.8 | -161.9 | 150.6 | 0 | 0 | 112.1 | T384 K385 H390 K391 N392 | T384-E388 PolarHBondContact O-N 2.99Å; K385-E388 PolarHBondContact O-N 3.42Å; E388-H390 VanDerWaalsContact C-N 3.29Å; E388-H390 PolarHBondContact O-N 3.32Å; E388-K391 PolarHBondContact O-N 2.96Å; E388-N392 WeakPolarHBondContact O-CB 3.45Å; E388-N392 PolarHBondContact O-N 2.91Å; E388-N392 PolarHBondContact O-ND2 3.17Å |
| 389 | I | 97.7 | Very high | 96.7 | Very high | 107 Ų | 107 | 113.6 Ų | 113.6 | 55% | 0.549 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.5 | -40.8 | 175.6 | -70.9 | 164.3 | 0 | 0 | 0 | 110.9 | K385 L386 N392 L393 | K385-I389 WeakPolarHBondContact O-CB 3.34Å; K385-I389 WeakPolarHBondContact O-CD1 3.49Å; K385-I389 VanDerWaalsContact O-CG1 3.23Å; K385-I389 WeakPolarHBondContact O-CG1 3.45Å; K385-I389 PolarHBondContact O-N 3.37Å; L386-I389 PolarHBondContact O-N 2.93Å; I389-N392 PolarHBondContact O-N 3.49Å; I389-L393 WeakPolarHBondContact O-CB 3.43Å; I389-L393 PolarHBondContact O-N 3.11Å |
| 390 | H | 97.4 | Very high | 96.7 | Very high | 107 Ų | 107 | 112.1 Ų | 112.1 | 50% | 0.495 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.9 | -46.5 | 178.4 | -169 | 77.1 | 0 | 0 | 0 | 112 | L386 I387 E388 N392 L393 Q394 | L386-H390 WeakPolarHBondContact O-CB 3.36Å; L386-H390 PolarHBondContact O-N 3.44Å; I387-H390 PolarHBondContact O-N 2.99Å; E388-H390 VanDerWaalsContact C-N 3.29Å; E388-H390 PolarHBondContact O-N 3.32Å; H390-N392 PolarHBondContact O-N 3.28Å; H390-L393 PolarHBondContact O-N 3.17Å; H390-L393 VanDerWaalsContact O-N 3.17Å; H390-Q394 PolarHBondContact CD2-NE2 2.95Å; H390-Q394 PolarHBondContact NE2-NE2 3.14Å; H390-Q394 WeakPolarHBondContact O-CG 3.31Å; H390-Q394 PolarHBondContact O-N 3.27Å |
| 391 | K | 97.5 | Very high | 96.7 | Very high | 130 Ų | 130 | 110.8 Ų | 110.8 | 57% | 0.565 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -57.8 | -46.4 | 174.1 | -71.6 | -178.2 | 177.6 | -173.7 | 0 | 111.7 | I387 E388 L393 Q394 L395 | I387-K391 PolarHBondContact O-N 3.44Å; E388-K391 PolarHBondContact O-N 2.96Å; K391-L393 VanDerWaalsContact C-N 3.3Å; K391-L393 PolarHBondContact O-N 3.49Å; K391-Q394 PolarHBondContact O-N 3.22Å; K391-L395 WeakPolarHBondContact O-CG 3.46Å; K391-L395 PolarHBondContact O-N 2.89Å |
| 392 | N | 97.6 | Very high | 96.8 | Very high | 74 Ų | 74 | 108.7 Ų | 108.7 | 40% | 0.396 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.6 | -33.5 | 177.5 | -77.2 | -33 | 0 | 0 | 0 | 113 | E388 I389 H390 K396 | E388-N392 WeakPolarHBondContact O-CB 3.45Å; E388-N392 PolarHBondContact O-N 2.91Å; E388-N392 PolarHBondContact O-ND2 3.17Å; I389-N392 PolarHBondContact O-N 3.49Å; H390-N392 PolarHBondContact O-N 3.28Å; N392-K396 WeakPolarHBondContact O-CG 3.36Å; N392-K396 PolarHBondContact O-N 3.21Å; N392-K396 VanDerWaalsContact O-N 3.17Å |
| 393 | L | 97.7 | Very high | 96.8 | Very high | 112 Ų | 112 | 109.2 Ų | 109.2 | 59% | 0.586 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -71.3 | -42.8 | 175.4 | -174.3 | 62.1 | 0 | 0 | 0 | 111.8 | I389 H390 K391 L395 K396 H397 | I389-L393 WeakPolarHBondContact O-CB 3.43Å; I389-L393 PolarHBondContact O-N 3.11Å; H390-L393 PolarHBondContact O-N 3.17Å; H390-L393 VanDerWaalsContact O-N 3.17Å; K391-L393 VanDerWaalsContact C-N 3.3Å; K391-L393 PolarHBondContact O-N 3.49Å; L393-L395 PolarHBondContact O-N 3.35Å; L393-K396 PolarHBondContact O-N 3.47Å; L393-H397 PolarHBondContact O-N 3.48Å |
| 394 | Q | 97.3 | Very high | 96.7 | Very high | 102 Ų | 102 | 110.6 Ų | 110.6 | 48% | 0.477 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.8 | -44.1 | 174.6 | -71.3 | -176.3 | -5.4 | 0 | 0 | 112 | H390 K391 K396 H397 K398 | H390-Q394 PolarHBondContact CD2-NE2 2.95Å; H390-Q394 PolarHBondContact NE2-NE2 3.14Å; H390-Q394 WeakPolarHBondContact O-CG 3.31Å; H390-Q394 PolarHBondContact O-N 3.27Å; K391-Q394 PolarHBondContact O-N 3.22Å; Q394-K396 PolarHBondContact O-N 3.24Å; Q394-H397 WeakPolarHBondContact O-CB 3.32Å; Q394-H397 PolarHBondContact O-N 2.98Å; Q394-K398 PolarHBondContact O-N 2.74Å |
| 395 | L | 96.7 | Very high | 96.8 | Very high | 111 Ų | 111 | 112 Ų | 112 | 58% | 0.581 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.4 | -43.1 | 176 | -71.1 | 173.5 | 0 | 0 | 0 | 112 | K391 L393 H397 K398 Q399 | K391-L395 WeakPolarHBondContact O-CG 3.46Å; K391-L395 PolarHBondContact O-N 2.89Å; L393-L395 PolarHBondContact O-N 3.35Å; L395-H397 VanDerWaalsContact C-N 3.34Å; L395-H397 PolarHBondContact O-N 3.36Å; L395-K398 PolarHBondContact O-N 3.24Å; L395-Q399 WeakPolarHBondContact O-CB 3.23Å; L395-Q399 PolarHBondContact O-N 3.4Å |
| 396 | K | 96.8 | Very high | 96.7 | Very high | 144 Ų | 144 | 108.2 Ų | 108.2 | 63% | 0.626 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.1 | -37.3 | 174.6 | -75.7 | 177.4 | 179.9 | 179.5 | 0 | 112.5 | N392 L393 Q394 Q399 A400 | N392-K396 WeakPolarHBondContact O-CG 3.36Å; N392-K396 PolarHBondContact O-N 3.21Å; N392-K396 VanDerWaalsContact O-N 3.17Å; L393-K396 PolarHBondContact O-N 3.47Å; Q394-K396 PolarHBondContact O-N 3.24Å; K396-Q399 PolarHBondContact O-N 3.47Å; K396-A400 WeakPolarHBondContact O-CB 3.49Å; K396-A400 PolarHBondContact O-N 2.98Å |
| 397 | H | 97.4 | Very high | 96.6 | Very high | 127 Ų | 127 | 108.4 Ų | 108.4 | 59% | 0.588 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.5 | -50.7 | 175.2 | -172.7 | -87.3 | 0 | 0 | 0 | 111.4 | L393 Q394 L395 Q399 A400 E401 | L393-H397 PolarHBondContact O-N 3.48Å; Q394-H397 WeakPolarHBondContact O-CB 3.32Å; Q394-H397 PolarHBondContact O-N 2.98Å; L395-H397 VanDerWaalsContact C-N 3.34Å; L395-H397 PolarHBondContact O-N 3.36Å; H397-Q399 VanDerWaalsContact C-N 3.29Å; H397-Q399 PolarHBondContact O-N 3.02Å; H397-A400 PolarHBondContact O-N 2.93Å; H397-A400 VanDerWaalsContact O-N 3.11Å; H397-E401 PolarHBondContact O-N 3.4Å |
| 398 | K | 96.7 | Very high | 96.4 | Very high | 138 Ų | 138 | 109.3 Ų | 109.3 | 60% | 0.6 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -55 | -44.4 | 174.7 | -72.5 | -173.8 | 175.9 | -173.8 | 0 | 111.7 | Q394 L395 E401 I402 | Q394-K398 PolarHBondContact O-N 2.74Å; L395-K398 PolarHBondContact O-N 3.24Å; K398-E401 PolarHBondContact O-N 2.83Å; K398-I402 WeakPolarHBondContact O-CG1 3.27Å; K398-I402 PolarHBondContact O-N 3.22Å |
| 399 | Q | 96.7 | Very high | 96.3 | Very high | 104 Ų | 104 | 106.3 Ų | 106.3 | 49% | 0.486 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.3 | -39.3 | 177.6 | -162.9 | -173.6 | 32.6 | 0 | 0 | 112.8 | L395 K396 H397 R403 | L395-Q399 WeakPolarHBondContact O-CB 3.23Å; L395-Q399 PolarHBondContact O-N 3.4Å; K396-Q399 PolarHBondContact O-N 3.47Å; H397-Q399 VanDerWaalsContact C-N 3.29Å; H397-Q399 PolarHBondContact O-N 3.02Å; Q399-R403 VanDerWaalsContact NE2-NH2 3.14Å; Q399-R403 WeakPolarHBondContact O-CG 3.37Å; Q399-R403 PolarHBondContact O-N 3.11Å; Q399-R403 VanDerWaalsContact O-N 3.16Å; Q399-R403 VanDerWaalsContact OE1-NH2 3.12Å |
| 400 | A | 96.3 | Very high | 96.2 | Very high | 55 Ų | 55 | 104.4 Ų | 104.4 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66 | -38.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | K396 H397 R403 R404 | K396-A400 WeakPolarHBondContact O-CB 3.49Å; K396-A400 PolarHBondContact O-N 2.98Å; H397-A400 PolarHBondContact O-N 2.93Å; H397-A400 VanDerWaalsContact O-N 3.11Å; A400-R403 PolarHBondContact O-N 2.8Å; A400-R404 PolarHBondContact O-N 2.99Å |
| 401 | E | 94.2 | Very high | 96 | Very high | 61 Ų | 61 | 106.2 Ų | 106.2 | 29% | 0.285 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.8 | -42.2 | 177.7 | -160.4 | -164.6 | 139.1 | 0 | 0 | 112.2 | H397 K398 R403 R404 K405 | H397-E401 PolarHBondContact O-N 3.4Å; K398-E401 PolarHBondContact O-N 2.83Å; E401-R403 VanDerWaalsContact C-N 3.33Å; E401-R403 PolarHBondContact O-N 2.93Å; E401-R404 WeakPolarHBondContact O-CB 3.43Å; E401-R404 PolarHBondContact O-N 3.29Å; E401-R404 VanDerWaalsContact O-N 3.17Å; E401-K405 PolarHBondContact O-N 3.3Å; E401-K405 VanDerWaalsContact OE1-CE 3.31Å; E401-K405 WeakPolarHBondContact OE1-CE 3.48Å; E401-K405 IonicContact OE1-NZ 2.68Å; E401-K405 PolarHBondContact OE1-NZ 3.43Å |
| 402 | I | 96.6 | Very high | 95.8 | Very high | 119 Ų | 119 | 105.2 Ų | 105.2 | 61% | 0.61 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -58.1 | -45.9 | 172.8 | -67.5 | 164.1 | 0 | 0 | 0 | 110.4 | K398 R404 K405 A406 | K398-I402 WeakPolarHBondContact O-CG1 3.27Å; K398-I402 PolarHBondContact O-N 3.22Å; I402-R404 VanDerWaalsContact C-N 3.34Å; I402-R404 PolarHBondContact O-N 2.89Å; I402-K405 PolarHBondContact O-N 3.35Å; I402-A406 WeakPolarHBondContact O-CB 3.48Å; I402-A406 PolarHBondContact O-N 3.48Å |
| 403 | R | 96.7 | Very high | 95.6 | Very high | 144 Ų | 144 | 107.3 Ų | 107.3 | 54% | 0.543 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63 | -38.5 | 176.1 | -68.1 | 175.2 | -165.4 | 179 | 6.6 | 112.3 | Q399 A400 E401 A406 I407 | Q399-R403 VanDerWaalsContact NE2-NH2 3.14Å; Q399-R403 WeakPolarHBondContact O-CG 3.37Å; Q399-R403 PolarHBondContact O-N 3.11Å; Q399-R403 VanDerWaalsContact O-N 3.16Å; Q399-R403 VanDerWaalsContact OE1-NH2 3.12Å; A400-R403 PolarHBondContact O-N 2.8Å; E401-R403 VanDerWaalsContact C-N 3.33Å; E401-R403 PolarHBondContact O-N 2.93Å; R403-A406 PolarHBondContact O-N 2.93Å; R403-I407 WeakPolarHBondContact O-CD1 3.49Å; R403-I407 VanDerWaalsContact O-CG1 3.28Å; R403-I407 WeakPolarHBondContact O-CG1 3.4Å; R403-I407 PolarHBondContact O-N 2.85Å |
| 404 | R | 96 | Very high | 95.4 | Very high | 151 Ų | 151 | 110 Ų | 110 | 57% | 0.57 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -60.9 | -51.4 | 175.5 | -173.6 | -174.9 | 70.3 | 177.1 | -1.3 | 110.6 | A400 E401 I402 A406 I407 E408 | A400-R404 PolarHBondContact O-N 2.99Å; E401-R404 WeakPolarHBondContact O-CB 3.43Å; E401-R404 PolarHBondContact O-N 3.29Å; E401-R404 VanDerWaalsContact O-N 3.17Å; I402-R404 VanDerWaalsContact C-N 3.34Å; I402-R404 PolarHBondContact O-N 2.89Å; R404-A406 VanDerWaalsContact C-N 3.34Å; R404-A406 PolarHBondContact O-N 2.96Å; R404-I407 PolarHBondContact O-N 3.44Å; R404-E408 WeakPolarHBondContact O-CB 3.47Å; R404-E408 PolarHBondContact O-N 3.3Å |
| 405 | K | 96.9 | Very high | 95.2 | Very high | 115 Ų | 115 | 111.4 Ų | 111.4 | 50% | 0.5 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -58.5 | -42.4 | 178 | -75.5 | 171.7 | 167.6 | 165.7 | 0 | 111.9 | E401 I402 E408 A409 | E401-K405 PolarHBondContact O-N 3.3Å; E401-K405 VanDerWaalsContact OE1-CE 3.31Å; E401-K405 WeakPolarHBondContact OE1-CE 3.48Å; E401-K405 IonicContact OE1-NZ 2.68Å; E401-K405 PolarHBondContact OE1-NZ 3.43Å; I402-K405 PolarHBondContact O-N 3.35Å; K405-E408 PolarHBondContact O-N 3.38Å; K405-A409 WeakPolarHBondContact O-CB 3.47Å; K405-A409 PolarHBondContact O-N 3.49Å |
| 406 | A | 94.9 | Very high | 95 | Very high | 58 Ų | 58 | 110 Ų | 110 | 48% | 0.479 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.4 | -40.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | I402 R403 R404 E408 S410 | I402-A406 WeakPolarHBondContact O-CB 3.48Å; I402-A406 PolarHBondContact O-N 3.48Å; R403-A406 PolarHBondContact O-N 2.93Å; R404-A406 VanDerWaalsContact C-N 3.34Å; R404-A406 PolarHBondContact O-N 2.96Å; A406-E408 VanDerWaalsContact C-N 3.33Å; A406-S410 WeakPolarHBondContact O-CB 3.46Å; A406-S410 PolarHBondContact O-N 2.96Å |
| 407 | I | 93.9 | Very high | 94.7 | Very high | 103 Ų | 103 | 109.3 Ų | 109.3 | 53% | 0.528 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.7 | -36.7 | 175.4 | -70.4 | 165.2 | 0 | 0 | 0 | 111.1 | R403 R404 K411 | R403-I407 WeakPolarHBondContact O-CD1 3.49Å; R403-I407 VanDerWaalsContact O-CG1 3.28Å; R403-I407 WeakPolarHBondContact O-CG1 3.4Å; R403-I407 PolarHBondContact O-N 2.85Å; R404-I407 PolarHBondContact O-N 3.44Å; I407-K411 VanDerWaalsContact O-CG 3.31Å; I407-K411 WeakPolarHBondContact O-CG 3.41Å; I407-K411 PolarHBondContact O-N 3.04Å |
| 408 | E | 93.1 | Very high | 94.4 | Very high | 119 Ų | 119 | 107.3 Ų | 107.3 | 56% | 0.556 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -68.8 | -46.8 | 178.7 | -170.1 | 158.4 | -146.2 | 0 | 0 | 111.9 | R404 K405 A406 S410 K411 Q412 | R404-E408 WeakPolarHBondContact O-CB 3.47Å; R404-E408 PolarHBondContact O-N 3.3Å; K405-E408 PolarHBondContact O-N 3.38Å; A406-E408 VanDerWaalsContact C-N 3.33Å; E408-S410 PolarHBondContact O-N 3.17Å; E408-K411 WeakPolarHBondContact O-CB 3.41Å; E408-K411 PolarHBondContact O-N 2.97Å; E408-Q412 PolarHBondContact O-N 3.42Å |
| 409 | A | 94.3 | Very high | 94.1 | Very high | 51 Ų | 51 | 103.2 Ų | 103.2 | 42% | 0.421 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -56.8 | -48.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112 | K405 K411 Q412 E413 | K405-A409 WeakPolarHBondContact O-CB 3.47Å; K405-A409 PolarHBondContact O-N 3.49Å; A409-K411 VanDerWaalsContact C-N 3.31Å; A409-K411 PolarHBondContact O-N 3.13Å; A409-Q412 WeakPolarHBondContact O-CB 3.49Å; A409-Q412 PolarHBondContact O-N 3.39Å; A409-E413 PolarHBondContact O-N 2.98Å |
| 410 | S | 94.4 | Very high | 93.7 | Very high | 68 Ų | 68 | 105.1 Ų | 105.1 | 48% | 0.476 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.1 | -33.4 | 178.4 | -176.7 | 0 | 0 | 0 | 0 | 113.3 | A406 E408 R414 | A406-S410 WeakPolarHBondContact O-CB 3.46Å; A406-S410 PolarHBondContact O-N 2.96Å; E408-S410 PolarHBondContact O-N 3.17Å; S410-R414 WeakPolarHBondContact O-CB 3.37Å; S410-R414 PolarHBondContact O-N 2.91Å; S410-R414 VanDerWaalsContact O-N 3.1Å |
| 411 | K | 93.5 | Very high | 93.4 | Very high | 144 Ų | 144 | 108.9 Ų | 108.9 | 63% | 0.626 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.9 | -43.4 | 170.6 | -77.1 | 172 | 179 | -179 | 0 | 111.5 | I407 E408 A409 R414 F415 | I407-K411 VanDerWaalsContact O-CG 3.31Å; I407-K411 WeakPolarHBondContact O-CG 3.41Å; I407-K411 PolarHBondContact O-N 3.04Å; E408-K411 WeakPolarHBondContact O-CB 3.41Å; E408-K411 PolarHBondContact O-N 2.97Å; A409-K411 VanDerWaalsContact C-N 3.31Å; A409-K411 PolarHBondContact O-N 3.13Å; K411-R414 PolarHBondContact O-N 3.01Å; K411-F415 WeakPolarHBondContact O-CB 3.46Å; K411-F415 PolarHBondContact O-N 3.05Å |
| 412 | Q | 93.9 | Very high | 92.9 | Very high | 109 Ų | 109 | 109.2 Ų | 109.2 | 51% | 0.509 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.7 | -43.4 | -179.6 | -166.4 | 62 | 27.1 | 0 | 0 | 111.6 | E408 A409 R414 F415 N416 | E408-Q412 PolarHBondContact O-N 3.42Å; A409-Q412 WeakPolarHBondContact O-CB 3.49Å; A409-Q412 PolarHBondContact O-N 3.39Å; Q412-R414 VanDerWaalsContact C-N 3.34Å; Q412-R414 PolarHBondContact O-N 2.91Å; Q412-F415 PolarHBondContact O-N 3.13Å; Q412-N416 WeakPolarHBondContact O-CB 3.31Å; Q412-N416 PolarHBondContact O-N 2.96Å; Q412-N416 PolarHBondContact O-OD1 3.46Å |
| 413 | E | 93.7 | Very high | 92.2 | Very high | 118 Ų | 118 | 108.6 Ų | 108.6 | 55% | 0.551 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -57.1 | -46.6 | 172.2 | -71.8 | 176.6 | 170.9 | 0 | 0 | 111.9 | A409 F415 N416 Q417 | A409-E413 PolarHBondContact O-N 2.98Å; E413-F415 VanDerWaalsContact C-N 3.33Å; E413-F415 PolarHBondContact O-N 2.83Å; E413-N416 PolarHBondContact O-N 2.81Å; E413-Q417 WeakPolarHBondContact O-CG 3.44Å; E413-Q417 PolarHBondContact O-N 3.36Å |
| 414 | R | 93.4 | Very high | 91.5 | Very high | 170 Ų | 170 | 105.2 Ų | 105.2 | 64% | 0.642 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.6 | -38.2 | 178.5 | -166.6 | 177.7 | -162.9 | -101.7 | 0.3 | 112.2 | S410 K411 Q412 L418 | S410-R414 WeakPolarHBondContact O-CB 3.37Å; S410-R414 PolarHBondContact O-N 2.91Å; S410-R414 VanDerWaalsContact O-N 3.1Å; K411-R414 PolarHBondContact O-N 3.01Å; Q412-R414 VanDerWaalsContact C-N 3.34Å; Q412-R414 PolarHBondContact O-N 2.91Å; R414-L418 HydrophobicContact CG-CD1 4.41Å; R414-L418 WeakPolarHBondContact O-CG 3.34Å; R414-L418 PolarHBondContact O-N 3.33Å |
| 415 | F | 93.9 | Very high | 90.6 | Very high | 131 Ų | 131 | 105.1 Ų | 105.1 | 58% | 0.575 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.4 | -44.9 | 174.4 | -177.6 | -99.1 | 0 | 0 | 0 | 111.4 | K411 Q412 E413 Q417 L418 S419 | K411-F415 WeakPolarHBondContact O-CB 3.46Å; K411-F415 PolarHBondContact O-N 3.05Å; Q412-F415 PolarHBondContact O-N 3.13Å; E413-F415 VanDerWaalsContact C-N 3.33Å; E413-F415 PolarHBondContact O-N 2.83Å; F415-Q417 VanDerWaalsContact C-N 3.32Å; F415-Q417 PolarHBondContact O-N 3.38Å; F415-L418 PolarHBondContact O-N 2.81Å; F415-S419 WeakPolarHBondContact O-CB 3.41Å; F415-S419 PolarHBondContact O-N 3.37Å |
| 416 | N | 92 | Very high | 89.6 | Confident | 81 Ų | 81 | 104 Ų | 104 | 43% | 0.433 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.9 | -37.9 | 176.7 | -67.6 | -11.2 | 0 | 0 | 0 | 112.1 | Q412 E413 K420 | Q412-N416 WeakPolarHBondContact O-CB 3.31Å; Q412-N416 PolarHBondContact O-N 2.96Å; Q412-N416 PolarHBondContact O-OD1 3.46Å; E413-N416 PolarHBondContact O-N 2.81Å; N416-K420 WeakPolarHBondContact O-CG 3.5Å; N416-K420 PolarHBondContact O-N 3.21Å; N416-K420 VanDerWaalsContact O-N 3.13Å |
| 417 | Q | 91 | Very high | 88.4 | Confident | 129 Ų | 129 | 108.1 Ų | 108.1 | 60% | 0.603 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.5 | -44.8 | 173.7 | -71.4 | 172.4 | 20.5 | 0 | 0 | 112.2 | E413 F415 S419 K420 Q421 | E413-Q417 WeakPolarHBondContact O-CG 3.44Å; E413-Q417 PolarHBondContact O-N 3.36Å; F415-Q417 VanDerWaalsContact C-N 3.32Å; F415-Q417 PolarHBondContact O-N 3.38Å; Q417-S419 VanDerWaalsContact C-N 3.33Å; Q417-S419 PolarHBondContact O-N 2.92Å; Q417-K420 PolarHBondContact O-N 3.23Å; Q417-Q421 PolarHBondContact O-N 3.42Å |
| 418 | L | 90.6 | Very high | 87.3 | Confident | 86 Ų | 86 | 109.7 Ų | 109.7 | 45% | 0.45 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.4 | -38.5 | 176.3 | -74.2 | 164.7 | 0 | 0 | 0 | 112.1 | R414 F415 Q421 S422 | R414-L418 HydrophobicContact CG-CD1 4.41Å; R414-L418 WeakPolarHBondContact O-CG 3.34Å; R414-L418 PolarHBondContact O-N 3.33Å; F415-L418 PolarHBondContact O-N 2.81Å; L418-Q421 PolarHBondContact O-N 3.05Å; L418-S422 PolarHBondContact O-N 2.99Å |
| 419 | S | 89.8 | Confident | 86.4 | Confident | 52 Ų | 52 | 109.6 Ų | 109.6 | 36% | 0.364 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.2 | -47.3 | 175.2 | -175.3 | 0 | 0 | 0 | 0 | 111.7 | F415 Q417 Q421 S422 Q423 | F415-S419 WeakPolarHBondContact O-CB 3.41Å; F415-S419 PolarHBondContact O-N 3.37Å; Q417-S419 VanDerWaalsContact C-N 3.33Å; Q417-S419 PolarHBondContact O-N 2.92Å; S419-Q421 PolarHBondContact O-N 3.47Å; S419-S422 PolarHBondContact O-N 3.11Å; S419-Q423 PolarHBondContact O-N 2.96Å; S419-Q423 VanDerWaalsContact O-N 3.13Å |
| 420 | K | 89.2 | Confident | 84.7 | Confident | 143 Ų | 143 | 110 Ų | 110 | 62% | 0.622 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.3 | -45.6 | 173.3 | -72.6 | 179.4 | 178 | -176 | 0 | 112 | N416 Q417 S422 Q423 D424 | N416-K420 WeakPolarHBondContact O-CG 3.5Å; N416-K420 PolarHBondContact O-N 3.21Å; N416-K420 VanDerWaalsContact O-N 3.13Å; Q417-K420 PolarHBondContact O-N 3.23Å; K420-S422 VanDerWaalsContact C-N 3.29Å; K420-S422 PolarHBondContact O-N 2.97Å; K420-Q423 PolarHBondContact O-N 3.19Å; K420-D424 PolarHBondContact O-N 3.4Å |
| 421 | Q | 88.8 | Confident | 83.1 | Confident | 135 Ų | 135 | 111.5 Ų | 111.5 | 63% | 0.631 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.2 | -36.2 | 178.9 | -169 | 178.4 | 8.1 | 0 | 0 | 112.5 | Q417 L418 S419 Y425 | Q417-Q421 PolarHBondContact O-N 3.42Å; L418-Q421 PolarHBondContact O-N 3.05Å; S419-Q421 PolarHBondContact O-N 3.47Å; Q421-Y425 WeakPolarHBondContact O-CB 3.33Å; Q421-Y425 PolarHBondContact O-N 3.46Å; Q421-Y425 VanDerWaalsContact O-N 3.1Å |
| 422 | S | 83.3 | Confident | 81.1 | Confident | 67 Ų | 67 | 107.6 Ų | 107.6 | 47% | 0.469 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.4 | -46.3 | 174.3 | -162 | 0 | 0 | 0 | 0 | 111.9 | L418 S419 K420 D424 Y425 D426 | L418-S422 PolarHBondContact O-N 2.99Å; S419-S422 PolarHBondContact O-N 3.11Å; K420-S422 VanDerWaalsContact C-N 3.29Å; K420-S422 PolarHBondContact O-N 2.97Å; S422-D424 VanDerWaalsContact C-N 3.3Å; S422-D424 PolarHBondContact O-N 3.02Å; S422-Y425 PolarHBondContact O-N 3.05Å; S422-D426 PolarHBondContact O-N 3.3Å |
| 423 | Q | 83.2 | Confident | 79.2 | Confident | 107 Ų | 107 | 107.2 Ų | 107.2 | 50% | 0.5 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.8 | -38.7 | 178.7 | -69 | -179.7 | -3.2 | 0 | 0 | 112.6 | S419 K420 R427 | S419-Q423 PolarHBondContact O-N 2.96Å; S419-Q423 VanDerWaalsContact O-N 3.13Å; K420-Q423 PolarHBondContact O-N 3.19Å; Q423-R427 PolarHBondContact O-N 3.33Å |
| 424 | D | 82.7 | Confident | 77.2 | Confident | 72 Ų | 72 | 111 Ų | 111 | 39% | 0.385 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -73.8 | -32.6 | 178.7 | -69.2 | -24.3 | 0 | 0 | 0 | 112.6 | K420 S422 R427 Q428 | K420-D424 PolarHBondContact O-N 3.4Å; S422-D424 VanDerWaalsContact C-N 3.3Å; S422-D424 PolarHBondContact O-N 3.02Å; D424-R427 PolarHBondContact O-N 3.01Å; D424-R427 IonicContact OD1-CZ 3.42Å; D424-R427 IonicContact OD1-NE 3.23Å; D424-R427 PolarHBondContact OD1-NE 3.28Å; D424-R427 IonicContact OD1-NH2 2.74Å; D424-R427 PolarHBondContact OD1-NH2 2.96Å; D424-Q428 WeakPolarHBondContact O-CG 3.34Å; D424-Q428 PolarHBondContact O-N 2.93Å |
| 425 | Y | 77.1 | Confident | 75.2 | Confident | 150 Ų | 150 | 110.1 Ų | 110.1 | 59% | 0.588 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.4 | -45.5 | 171.6 | -177.1 | -103 | 0 | 0 | 0 | 111.9 | Q421 S422 R427 Q428 K429 | Q421-Y425 WeakPolarHBondContact O-CB 3.33Å; Q421-Y425 PolarHBondContact O-N 3.46Å; Q421-Y425 VanDerWaalsContact O-N 3.1Å; S422-Y425 PolarHBondContact O-N 3.05Å; Y425-R427 PolarHBondContact O-N 3.01Å; Y425-Q428 PolarHBondContact O-N 3.42Å; Y425-K429 WeakPolarHBondContact O-CB 3.45Å; Y425-K429 PolarHBondContact O-N 2.97Å |
| 426 | D | 74.9 | Confident | 72.9 | Confident | 91 Ų | 91 | 111.2 Ų | 111.2 | 49% | 0.487 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.9 | -38 | 177 | -71.5 | -40.9 | 0 | 0 | 0 | 112.1 | S422 K429 S430 | S422-D426 PolarHBondContact O-N 3.3Å; D426-K429 PolarHBondContact O-N 3.26Å; D426-S430 PolarHBondContact O-N 3.33Å |
| 427 | R | 70.2 | Confident | 70.6 | Confident | 145 Ų | 145 | 115.9 Ų | 115.9 | 55% | 0.547 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -58.3 | -50.7 | 170.4 | -86 | -167.8 | -83.9 | -115.4 | -1 | 111.9 | Q423 D424 Y425 K429 S430 I431 | Q423-R427 PolarHBondContact O-N 3.33Å; D424-R427 PolarHBondContact O-N 3.01Å; D424-R427 IonicContact OD1-CZ 3.42Å; D424-R427 IonicContact OD1-NE 3.23Å; D424-R427 PolarHBondContact OD1-NE 3.28Å; D424-R427 IonicContact OD1-NH2 2.74Å; D424-R427 PolarHBondContact OD1-NH2 2.96Å; Y425-R427 PolarHBondContact O-N 3.01Å; R427-K429 VanDerWaalsContact C-N 3.33Å; R427-K429 PolarHBondContact O-N 3.38Å; R427-S430 PolarHBondContact O-N 3.13Å; R427-S430 PolarHBondContact O-OG 3.39Å; R427-I431 WeakPolarHBondContact O-CG1 3.47Å; R427-I431 PolarHBondContact O-N 2.94Å |
| 428 | Q | 71 | Confident | 68.2 | Low | 136 Ų | 136 | 117.8 Ų | 117.8 | 64% | 0.636 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -60.4 | -41.5 | 178.8 | -73.4 | -179.5 | 16 | 0 | 0 | 112.3 | D424 Y425 S430 I431 S432 | D424-Q428 WeakPolarHBondContact O-CG 3.34Å; D424-Q428 PolarHBondContact O-N 2.93Å; Y425-Q428 PolarHBondContact O-N 3.42Å; Q428-S430 VanDerWaalsContact C-N 3.32Å; Q428-S430 PolarHBondContact O-N 2.98Å; Q428-I431 PolarHBondContact O-N 3.35Å; Q428-S432 PolarHBondContact O-N 3.17Å |
| 429 | K | 73 | Confident | 65.6 | Low | 117 Ų | 117 | 122.8 Ų | 122.8 | 51% | 0.509 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -61.2 | -39.9 | 176.7 | -165.8 | 177.1 | -178.3 | -174 | 0 | 112.1 | Y425 D426 R427 I431 S432 N433 | Y425-K429 WeakPolarHBondContact O-CB 3.45Å; Y425-K429 PolarHBondContact O-N 2.97Å; D426-K429 PolarHBondContact O-N 3.26Å; R427-K429 VanDerWaalsContact C-N 3.33Å; R427-K429 PolarHBondContact O-N 3.38Å; K429-I431 VanDerWaalsContact C-N 3.35Å; K429-I431 PolarHBondContact O-N 3.28Å; K429-S432 PolarHBondContact O-N 3.1Å; K429-N433 PolarHBondContact O-N 3.39Å; K429-N433 VanDerWaalsContact O-N 3.14Å |
| 430 | S | 59.9 | Low | 63.3 | Low | 58 Ų | 58 | 125.3 Ų | 125.3 | 41% | 0.406 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -64.7 | -35.8 | 176.2 | 82.1 | 0 | 0 | 0 | 0 | 113.2 | D426 R427 Q428 R434 | D426-S430 PolarHBondContact O-N 3.33Å; R427-S430 PolarHBondContact O-N 3.13Å; R427-S430 PolarHBondContact O-OG 3.39Å; Q428-S430 VanDerWaalsContact C-N 3.32Å; Q428-S430 PolarHBondContact O-N 2.98Å; S430-R434 PolarHBondContact O-N 3.12Å |
| 431 | I | 60.5 | Low | 60.8 | Low | 100 Ų | 100 | 124 Ų | 124 | 51% | 0.513 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -71.8 | -45.1 | 178.3 | -63.6 | 164.4 | 0 | 0 | 0 | 110.2 | R427 Q428 K429 N433 R434 Q435 | R427-I431 WeakPolarHBondContact O-CG1 3.47Å; R427-I431 PolarHBondContact O-N 2.94Å; Q428-I431 PolarHBondContact O-N 3.35Å; K429-I431 VanDerWaalsContact C-N 3.35Å; K429-I431 PolarHBondContact O-N 3.28Å; I431-N433 VanDerWaalsContact C-N 3.34Å; I431-N433 PolarHBondContact O-N 3.48Å; I431-R434 PolarHBondContact O-N 2.97Å; I431-Q435 PolarHBondContact O-N 3.46Å |
| 432 | S | 50.7 | Low | 58.2 | Low | 63 Ų | 63 | 125 Ų | 125 | 44% | 0.441 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -59.3 | -42.7 | 178.5 | -172.7 | 0 | 0 | 0 | 0 | 112.2 | Q428 K429 R434 Q435 | Q428-S432 PolarHBondContact O-N 3.17Å; K429-S432 PolarHBondContact O-N 3.1Å; S432-R434 VanDerWaalsContact C-N 3.34Å; S432-R434 PolarHBondContact O-N 3.4Å; S432-Q435 PolarHBondContact O-N 2.78Å |
| 433 | N | 54.3 | Low | 55.7 | Low | 100 Ų | 100 | 132.7 Ų | 132.7 | 54% | 0.535 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -66.2 | -31.8 | 179.2 | -80.6 | 1.3 | 0 | 0 | 0 | 113.3 | K429 I431 Q435 | K429-N433 PolarHBondContact O-N 3.39Å; K429-N433 VanDerWaalsContact O-N 3.14Å; I431-N433 VanDerWaalsContact C-N 3.34Å; I431-N433 PolarHBondContact O-N 3.48Å; N433-Q435 VanDerWaalsContact C-N 3.32Å; N433-Q435 PolarHBondContact O-N 2.93Å |
| 434 | R | 51.9 | Low | 53.2 | Low | 199 Ų | 199 | 136.3 Ų | 136.3 | 75% | 0.751 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -66.8 | -32.2 | 176.2 | -70.8 | -169.6 | -160.7 | -149.2 | 6.2 | 112.8 | S430 I431 S432 | S430-R434 PolarHBondContact O-N 3.12Å; I431-R434 PolarHBondContact O-N 2.97Å; S432-R434 VanDerWaalsContact C-N 3.34Å; S432-R434 PolarHBondContact O-N 3.4Å |
| 435 | Q | 52.2 | Low | 50.7 | Low | 151 Ų | 151 | 138.1 Ų | 138.1 | 71% | 0.706 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -75.3 | -28.7 | -177.7 | -67.2 | -171 | 1.6 | 0 | 0 | 113.4 | I431 S432 N433 H437 | I431-Q435 PolarHBondContact O-N 3.46Å; S432-Q435 PolarHBondContact O-N 2.78Å; N433-Q435 VanDerWaalsContact C-N 3.32Å; N433-Q435 PolarHBondContact O-N 2.93Å; Q435-H437 PolarHBondContact O-N 2.94Å |
| 436 | Q | 45.2 | Very low | 48.3 | Very low | 154 Ų | 154 | 136.7 Ų | 136.7 | 72% | 0.72 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -76.7 | -19.1 | -177.8 | -64.6 | -153.5 | 0.4 | 0 | 0 | 114.5 | Q438 | Q436-Q438 VanDerWaalsContact C-N 3.34Å; Q436-Q438 PolarHBondContact O-N 3.08Å |
| 437 | H | 42.2 | Very low | 46 | Very low | 178 Ų | 178 | 138.2 Ų | 138.2 | 82% | 0.824 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -0.1 | 177.7 | -81.8 | -73.3 | 0 | 0 | 0 | 115.1 | Q435 | Q435-H437 PolarHBondContact O-N 2.94Š|
| 438 | Q | 40.7 | Very low | 43.9 | Very low | 170 Ų | 170 | 142 Ų | 142 | 79% | 0.794 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | 23.6 | 179.3 | -68.8 | -167.6 | -7.4 | 0 | 0 | 114.6 | Q436 P440 | Q436-Q438 VanDerWaalsContact C-N 3.34Å; Q436-Q438 PolarHBondContact O-N 3.08Å; Q438-P440 VanDerWaalsContact O-CD 3.25Å; Q438-P440 WeakPolarHBondContact O-CD 3.43Å |
| 439 | K | 36.7 | Very low | 42 | Very low | 190 Ų | 190 | 140.9 Ų | 140.9 | 83% | 0.826 | 73% | 0.726 | S | S | * | * | | | trans | -101.2 | 98.1 | 175.6 | -145.4 | 170.6 | -170 | 176.2 | 0 | 110.6 | S441 | K439-S441 PolarHBondContact O-N 3.45Š|
| 440 | P | 41.1 | Very low | 39.8 | Very low | 105 Ų | 105 | 141.6 Ų | 141.6 | 68% | 0.682 | 74% | 0.735 | S | S | * | * | | | trans | -66.1 | 131.6 | -176.3 | 26.2 | -34 | 0 | 0 | 0 | 111.1 | Q438 N442 | Q438-P440 VanDerWaalsContact O-CD 3.25Å; Q438-P440 WeakPolarHBondContact O-CD 3.43Å; P440-N442 PolarHBondContact O-N 3.24Å |
| 441 | S | 37.8 | Very low | 38.5 | Very low | 116 Ų | 116 | 146 Ų | 146 | 81% | 0.811 | 75% | 0.754 | S | S | * | * | | | trans | -77.3 | 100.8 | 178.1 | -171 | 0 | 0 | 0 | 0 | 110 | K439 R443 | K439-S441 PolarHBondContact O-N 3.45Å; S441-R443 PolarHBondContact O-N 3.15Å |
| 442 | N | 33.9 | Very low | 36.8 | Very low | 156 Ų | 156 | 148.6 Ų | 148.6 | 83% | 0.834 | 77% | 0.767 | S | S | * | * | | | trans | -67.6 | 89.4 | 175.6 | -78.1 | -20.2 | 0 | 0 | 0 | 111.1 | P440 | P440-N442 PolarHBondContact O-N 3.24Š|
| 443 | R | 30.4 | Very low | 35.9 | Very low | 228 Ų | 228 | 152.8 Ų | 152.8 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | | | trans | -119.8 | 105.4 | 159.7 | -120.3 | -179.3 | -175.1 | 177.3 | 1.9 | 110 | S441 S445 | S441-R443 PolarHBondContact O-N 3.15Å; R443-S445 VanDerWaalsContact C-N 3.35Å; R443-S445 PolarHBondContact O-N 2.79Å |
| 444 | L | 30.8 | Very low | 34.6 | Very low | 184 Ų | 184 | 155.2 Ų | 155.2 | 96% | 0.963 | 80% | 0.797 | S | S | * | * | | | trans | -68.6 | 85.8 | 174.1 | -74.7 | 149.9 | 0 | 0 | 0 | 110.2 | | |
| 445 | S | 30.1 | Very low | 33.4 | Very low | 109 Ų | 109 | 156.8 Ų | 156.8 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | | | trans | -97.9 | 91.6 | 162.4 | 58.4 | 0 | 0 | 0 | 0 | 109.3 | R443 C447 | R443-S445 VanDerWaalsContact C-N 3.35Å; R443-S445 PolarHBondContact O-N 2.79Å; S445-C447 PolarHBondContact O-N 3.01Å |
| 446 | S | 26.3 | Very low | 32.2 | Very low | 120 Ų | 120 | 160.7 Ų | 160.7 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | | | trans | -69.3 | 91.2 | 176.4 | 165.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 447 | C | 27.5 | Very low | 31.4 | Very low | 123 Ų | 123 | 162.9 Ų | 162.9 | 83% | 0.831 | 82% | 0.82 | S | S | * | * | | | trans | -123.2 | 116.3 | 159.1 | -84.3 | 0 | 0 | 0 | 0 | 110 | S445 | S445-C447 PolarHBondContact O-N 3.01Š|
| 448 | R | 25.2 | Very low | 30.8 | Very low | 226 Ų | 226 | 162.9 Ų | 162.9 | 85% | 0.853 | 82% | 0.823 | S | S | * | * | | | trans | -83.7 | 106.9 | -169.3 | 179.6 | -170.1 | -165 | 177.8 | 3.8 | 110.6 | | |
| 449 | S | 31.3 | Very low | 30.1 | Very low | 112 Ų | 112 | 161.3 Ų | 161.3 | 78% | 0.783 | 82% | 0.819 | S | S | * | * | | | trans | -125.9 | 101.3 | 162.8 | 38.5 | 0 | 0 | 0 | 0 | 109.6 | L451 | S449-L451 PolarHBondContact O-N 3.37Š|
| 450 | N | 27.8 | Very low | 29.8 | Very low | 131 Ų | 131 | 158.7 Ų | 158.7 | 70% | 0.701 | 82% | 0.815 | S | S | * | * | | | trans | -69.1 | 112.9 | 175.7 | -67.7 | -27.2 | 0 | 0 | 0 | 109.4 | | |
| 451 | L | 31 | Very low | 29.2 | Very low | 152 Ų | 152 | 160 Ų | 160 | 80% | 0.796 | 82% | 0.816 | S | S | * | * | | | trans | -135.6 | 95.2 | 156.1 | -155.3 | 74.3 | 0 | 0 | 0 | 109.1 | S449 L453 | S449-L451 PolarHBondContact O-N 3.37Å; L451-L453 HydrophobicContact CD2-CD1 4.19Å; L451-L453 HydrophobicContact CG-CD1 4.34Å; L451-L453 PolarHBondContact O-N 2.88Å; L451-L453 VanDerWaalsContact O-N 3.1Å |
| 452 | L | 26.8 | Very low | 28.7 | Very low | 153 Ų | 153 | 159.5 Ų | 159.5 | 80% | 0.801 | 81% | 0.813 | S | S | * | * | | | trans | -62.4 | 108.1 | 167.2 | -88.1 | 72.2 | 0 | 0 | 0 | 108 | | |
| 453 | L | 30.7 | Very low | 28.6 | Very low | 152 Ų | 152 | 160 Ų | 160 | 80% | 0.796 | 81% | 0.813 | S | S | * | * | | | trans | -108.9 | 129.2 | 158.7 | -118.7 | 74.9 | 0 | 0 | 0 | 109.3 | L451 | L451-L453 HydrophobicContact CD2-CD1 4.19Å; L451-L453 HydrophobicContact CG-CD1 4.34Å; L451-L453 PolarHBondContact O-N 2.88Å; L451-L453 VanDerWaalsContact O-N 3.1Å |
| 454 | N | 27.9 | Very low | 28.3 | Very low | 151 Ų | 151 | 159 Ų | 159 | 81% | 0.807 | 82% | 0.815 | S | S | * | * | | | trans | -66.6 | 140.6 | -161.7 | -76.4 | -62.9 | 0 | 0 | 0 | 114.1 | R456 | N454-R456 PolarHBondContact O-N 3.32Š|
| 455 | Y | 25.9 | Very low | 28.3 | Very low | 231 Ų | 231 | 156.8 Ų | 156.8 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | | | trans | -56.1 | 119.2 | 159.2 | -86.2 | -100.3 | 0 | 0 | 0 | 110.1 | | |
| 456 | R | 27.9 | Very low | 28.2 | Very low | 233 Ų | 233 | 156.8 Ų | 156.8 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | | | trans | -124.7 | 94.3 | 159.6 | -134.2 | 178 | -163.1 | 175.1 | 5.7 | 109.7 | N454 M458 | N454-R456 PolarHBondContact O-N 3.32Å; R456-M458 PolarHBondContact O-N 3.49Å; R456-M458 VanDerWaalsContact O-N 3.1Å |
| 457 | K | 27.7 | Very low | 28.3 | Very low | 201 Ų | 201 | 156.3 Ų | 156.3 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | | | trans | -56.6 | 111.1 | 166 | -81.5 | 176.5 | 170.6 | 176.2 | 0 | 108.3 | | |
| 458 | M | 29.6 | Very low | 28.3 | Very low | 178 Ų | 178 | 158.3 Ų | 158.3 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | | | trans | -102.1 | 101.1 | 158.8 | -71.4 | -158 | -68.1 | 0 | 0 | 108.5 | R456 | R456-M458 PolarHBondContact O-N 3.49Å; R456-M458 VanDerWaalsContact O-N 3.1Å |
| 459 | N | 25.3 | Very low | 28.5 | Very low | 136 Ų | 136 | 156.5 Ų | 156.5 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | | | trans | -69.8 | 136.6 | 164.3 | 174.7 | 27 | 0 | 0 | 0 | 108.8 | | |
| 460 | N | 30.4 | Very low | 28.3 | Very low | 135 Ų | 135 | 158.2 Ų | 158.2 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | | | trans | -172.9 | 116 | 152.3 | -95.4 | -28.1 | 0 | 0 | 0 | 110.4 | | |
| 461 | N | 29.8 | Very low | 28.4 | Very low | 133 Ų | 133 | 157.3 Ų | 157.3 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | | | trans | 52 | 145.2 | 135.7 | -49 | -27.3 | 0 | 0 | 0 | 120.5 | | |
| 462 | S | 26.7 | Very low | 28.2 | Very low | 106 Ų | 106 | 157.3 Ų | 157.3 | 74% | 0.741 | 81% | 0.806 | S | S | * | * | | | cis | -168.9 | 121 | -17.9 | 45.1 | 0 | 0 | 0 | 0 | 106.8 | | |
| 463 | I | 30.9 | Very low | 28.3 | Very low | 165 Ų | 165 | 158.3 Ų | 158.3 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | | | trans | -116.7 | 108.8 | 172.9 | -62.5 | -178.9 | 0 | 0 | 0 | 107.7 | V465 | I463-V465 PolarHBondContact O-N 3.02Å; I463-V465 VanDerWaalsContact O-N 3.12Å |
| 464 | K | 25.4 | Very low | 28.2 | Very low | 209 Ų | 209 | 156 Ų | 156 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | | | trans | -63 | 108.8 | 175.1 | -81.9 | 178.3 | 171 | 177.5 | 0 | 109.3 | | |
| 465 | V | 29.2 | Very low | 28 | Very low | 136 Ų | 136 | 157.6 Ų | 157.6 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | | | trans | -85.9 | 105.9 | 160.9 | 179.4 | 0 | 0 | 0 | 0 | 106.9 | I463 S467 | I463-V465 PolarHBondContact O-N 3.02Å; I463-V465 VanDerWaalsContact O-N 3.12Å; V465-S467 PolarHBondContact O-N 2.93Å |
| 466 | S | 29.7 | Very low | 28.1 | Very low | 109 Ų | 109 | 154 Ų | 154 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 122.7 | 173 | 50.2 | 0 | 0 | 0 | 0 | 109.9 | L468 | S466-L468 PolarHBondContact O-N 3.21Š|
| 467 | S | 27.7 | Very low | 28 | Very low | 111 Ų | 111 | 148.5 Ų | 148.5 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 119.2 | 177.3 | 53.9 | 0 | 0 | 0 | 0 | 112.1 | V465 | V465-S467 PolarHBondContact O-N 2.93Š|
| 468 | L | 28 | Very low | 27.9 | Very low | 165 Ų | 165 | 143.7 Ų | 143.7 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 125.9 | 158 | -152.4 | 72.3 | 0 | 0 | 0 | 107.4 | S466 | S466-L468 PolarHBondContact O-N 3.21Š|
| 469 | K | 28.7 | Very low | 27.8 | Very low | 188 Ų | 188 | 140.3 Ų | 140.3 | 82% | 0.817 | 78% | 0.781 | S | S | * | * | | | trans | -82.8 | 115.7 | -179.9 | -91.4 | -179.2 | 169.9 | -179 | 0 | 110.1 | T471 | K469-T471 PolarHBondContact O-N 3.14Å; K469-T471 VanDerWaalsContact O-N 3.11Å |
| 470 | D | 28.1 | Very low | 27.7 | Very low | 147 Ų | 147 | 140.2 Ų | 140.2 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | | | trans | -64.9 | 107.8 | 165.1 | -61.8 | -48 | 0 | 0 | 0 | 109.4 | | |
| 471 | T | 29.5 | Very low | 27.6 | Very low | 112 Ų | 112 | 139.8 Ų | 139.8 | 69% | 0.687 | 79% | 0.787 | S | S | * | * | | | trans | -110.4 | 92.1 | 173.3 | -48 | 0 | 0 | 0 | 0 | 107.9 | K469 E473 | K469-T471 PolarHBondContact O-N 3.14Å; K469-T471 VanDerWaalsContact O-N 3.11Å; T471-E473 PolarHBondContact O-N 2.95Å |
| 472 | N | 26.2 | Very low | 27.4 | Very low | 152 Ų | 152 | 138.6 Ų | 138.6 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | | | trans | -81.2 | 96.6 | 179.1 | -69.1 | -54.2 | 0 | 0 | 0 | 110.1 | | |
| 473 | E | 29.8 | Very low | 27.4 | Very low | 174 Ų | 174 | 141 Ų | 141 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | | | trans | -136.1 | 145.6 | 168.4 | -73.3 | -163.9 | 165.8 | 0 | 0 | 113.6 | T471 | T471-E473 PolarHBondContact O-N 2.95Š|
| 474 | S | 26.9 | Very low | 27.1 | Very low | 103 Ų | 103 | 138.2 Ų | 138.2 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | | | trans | 70.6 | 93.9 | 166.7 | -152.9 | 0 | 0 | 0 | 0 | 118.6 | I476 | S474-I476 PolarHBondContact O-N 3.28Š|
| 475 | M | 23.5 | Very low | 27 | Very low | 185 Ų | 185 | 134.2 Ų | 134.2 | 91% | 0.911 | 77% | 0.772 | S | S | * | * | | | trans | -62.4 | 114.8 | 153.9 | -68.8 | 161.9 | 57.3 | 0 | 0 | 109.9 | | |
| 476 | I | 29 | Very low | 26.9 | Very low | 157 Ų | 157 | 134.9 Ų | 134.9 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | | | trans | -104 | 114 | 159 | -62.9 | -177 | 0 | 0 | 0 | 109.5 | S474 | S474-I476 PolarHBondContact O-N 3.28Š|
| 477 | T | 26.2 | Very low | 26.8 | Very low | 116 Ų | 116 | 135 Ų | 135 | 71% | 0.712 | 76% | 0.762 | S | S | * | * | | | trans | -48.3 | 130.4 | -178.1 | -52.4 | 0 | 0 | 0 | 0 | 114.5 | | |
| 478 | S | 25.3 | Very low | 26.8 | Very low | 100 Ų | 100 | 141.5 Ų | 141.5 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | | | trans | -13.9 | 129.6 | 161.8 | 57.1 | 0 | 0 | 0 | 0 | 119 | | |
| 479 | S | 26.7 | Very low | 26.9 | Very low | 108 Ų | 108 | 139.1 Ų | 139.1 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | | | trans | -129.5 | 121.7 | 138.8 | 60 | 0 | 0 | 0 | 0 | 109.7 | T481 | S479-T481 PolarHBondContact O-N 3.14Š|
| 480 | V | 24.8 | Very low | 27 | Very low | 134 Ų | 134 | 135.8 Ų | 135.8 | 81% | 0.812 | 75% | 0.753 | S | S | * | * | | | trans | -82.6 | 94.6 | -176.8 | 178 | 0 | 0 | 0 | 0 | 109.4 | T482 | V480-T482 PolarHBondContact O-N 3.2Š|
| 481 | T | 28.1 | Very low | 26.9 | Very low | 125 Ų | 125 | 135.6 Ų | 135.6 | 77% | 0.767 | 76% | 0.757 | S | S | * | * | | | trans | -80.4 | 106 | 173.6 | -50.7 | 0 | 0 | 0 | 0 | 109.9 | S479 I483 | S479-T481 PolarHBondContact O-N 3.14Å; T481-I483 PolarHBondContact O-N 3.27Å |
| 482 | T | 25.3 | Very low | 26.8 | Very low | 108 Ų | 108 | 135.6 Ų | 135.6 | 66% | 0.663 | 76% | 0.757 | S | S | * | * | | | trans | -48.5 | 116.5 | -178.4 | -53.9 | 0 | 0 | 0 | 0 | 112.8 | V480 T484 | V480-T482 PolarHBondContact O-N 3.2Å; T482-T484 PolarHBondContact O-N 3.4Å; T482-T484 PolarHBondContact O-OG1 3.45Å |
| 483 | I | 25.5 | Very low | 26.8 | Very low | 156 Ų | 156 | 132.1 Ų | 132.1 | 80% | 0.8 | 75% | 0.749 | S | S | * | * | | | trans | -67.9 | 87.4 | 168.5 | -58 | 176.4 | 0 | 0 | 0 | 108.1 | T481 T485 | T481-I483 PolarHBondContact O-N 3.27Å; I483-T485 PolarHBondContact O-N 2.92Å |
| 484 | T | 24.8 | Very low | 26.6 | Very low | 107 Ų | 107 | 129.4 Ų | 129.4 | 66% | 0.656 | 74% | 0.744 | S | S | * | * | | | trans | -70.4 | 103.5 | 176.6 | -56.6 | 0 | 0 | 0 | 0 | 107.7 | T482 I486 | T482-T484 PolarHBondContact O-N 3.4Å; T482-T484 PolarHBondContact O-OG1 3.45Å; T484-I486 VanDerWaalsContact C-N 3.32Å; T484-I486 PolarHBondContact O-N 3.17Å |
| 485 | T | 24.8 | Very low | 26.7 | Very low | 125 Ų | 125 | 131.4 Ų | 131.4 | 77% | 0.767 | 75% | 0.746 | S | S | * | * | | | trans | -71.2 | 89.4 | -179.2 | -60.7 | 0 | 0 | 0 | 0 | 108.7 | I483 N487 | I483-T485 PolarHBondContact O-N 2.92Å; T485-N487 PolarHBondContact O-N 2.99Å |
| 486 | I | 26.4 | Very low | 27 | Very low | 151 Ų | 151 | 131.6 Ų | 131.6 | 77% | 0.774 | 74% | 0.742 | S | S | * | * | | | trans | -67.4 | 102.2 | 176.6 | -61.8 | 179.5 | 0 | 0 | 0 | 108.2 | T484 R488 | T484-I486 VanDerWaalsContact C-N 3.32Å; T484-I486 PolarHBondContact O-N 3.17Å; I486-R488 PolarHBondContact O-N 3.23Å |
| 487 | N | 28.1 | Very low | 27 | Very low | 112 Ų | 112 | 128.4 Ų | 128.4 | 60% | 0.599 | 73% | 0.732 | S | S | * | * | | | trans | -55 | 120 | 179.2 | -174.4 | 0.9 | 0 | 0 | 0 | 110.2 | T485 N489 | T485-N487 PolarHBondContact O-N 2.99Å; N487-N489 PolarHBondContact ND2-ND2 3.14Å; N487-N489 PolarHBondContact ND2-OD1 3.28Å; N487-N489 PolarHBondContact O-N 3.07Å; N487-N489 PolarHBondContact OD1-OD1 2.95Å |
| 488 | R | 26.1 | Very low | 27.3 | Very low | 246 Ų | 246 | 128.9 Ų | 128.9 | 93% | 0.928 | 74% | 0.737 | S | S | * | * | | | trans | -73 | 61 | 177.3 | -82.2 | -173.3 | 168.9 | 128.1 | -4.4 | 111.6 | I486 T490 | I486-R488 PolarHBondContact O-N 3.23Å; R488-T490 PolarHBondContact O-N 3.4Å; R488-T490 VanDerWaalsContact O-N 3.09Å |
| 489 | N | 31.4 | Very low | 27.5 | Very low | 115 Ų | 115 | 133.3 Ų | 133.3 | 62% | 0.615 | 74% | 0.744 | S | S | * | * | | | trans | -73.8 | 99 | 168.4 | -76.3 | -17.9 | 0 | 0 | 0 | 109.3 | N487 V491 | N487-N489 PolarHBondContact ND2-ND2 3.14Å; N487-N489 PolarHBondContact ND2-OD1 3.28Å; N487-N489 PolarHBondContact O-N 3.07Å; N487-N489 PolarHBondContact OD1-OD1 2.95Å; N489-V491 PolarHBondContact O-N 2.9Å |
| 490 | T | 30.4 | Very low | 27.9 | Very low | 118 Ų | 118 | 132 Ų | 132 | 72% | 0.724 | 75% | 0.748 | S | S | * | * | | | trans | 33.5 | 74.6 | 149.1 | 52.5 | 0 | 0 | 0 | 0 | 115.7 | R488 T492 | R488-T490 PolarHBondContact O-N 3.4Å; R488-T490 VanDerWaalsContact O-N 3.09Å; T490-T492 PolarHBondContact O-N 3.49Å |
| 491 | V | 25.7 | Very low | 28.2 | Very low | 143 Ų | 143 | 135.3 Ų | 135.3 | 87% | 0.867 | 75% | 0.752 | S | S | * | * | | | trans | -65.7 | 89.1 | 154.7 | -179.9 | 0 | 0 | 0 | 0 | 106.5 | N489 A493 | N489-V491 PolarHBondContact O-N 2.9Å; V491-A493 VanDerWaalsContact C-N 3.3Å; V491-A493 PolarHBondContact O-N 2.82Å |
| 492 | T | 27.1 | Very low | 28.4 | Very low | 112 Ų | 112 | 133 Ų | 133 | 69% | 0.687 | 75% | 0.752 | S | S | * | * | | | trans | -65.4 | 98.4 | 170.5 | -55.3 | 0 | 0 | 0 | 0 | 105.5 | T490 T494 | T490-T492 PolarHBondContact O-N 3.49Å; T492-T494 VanDerWaalsContact C-N 3.27Å; T492-T494 PolarHBondContact O-N 3.18Å; T492-T494 PolarHBondContact O-OG1 2.99Å |
| 493 | A | 26.9 | Very low | 28.8 | Very low | 79 Ų | 79 | 130.8 Ų | 130.8 | 65% | 0.653 | 74% | 0.741 | S | S | * | * | | | trans | -64.1 | 94.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | V491 I495 | V491-A493 VanDerWaalsContact C-N 3.3Å; V491-A493 PolarHBondContact O-N 2.82Å; A493-I495 PolarHBondContact O-N 3.29Å |
| 494 | T | 26.2 | Very low | 29.3 | Very low | 117 Ų | 117 | 129.6 Ų | 129.6 | 72% | 0.718 | 75% | 0.747 | S | S | * | * | | | trans | -65.4 | 89.2 | 174.5 | -49.7 | 0 | 0 | 0 | 0 | 107.2 | T492 K496 | T492-T494 VanDerWaalsContact C-N 3.27Å; T492-T494 PolarHBondContact O-N 3.18Å; T492-T494 PolarHBondContact O-OG1 2.99Å; T494-K496 PolarHBondContact O-N 3.42Å |
| 495 | I | 28.2 | Very low | 29.8 | Very low | 146 Ų | 146 | 128.8 Ų | 128.8 | 75% | 0.749 | 74% | 0.742 | S | S | * | * | | | trans | -60.4 | 95.1 | 171.6 | -62 | 173.6 | 0 | 0 | 0 | 105.6 | A493 C497 | A493-I495 PolarHBondContact O-N 3.29Å; I495-C497 PolarHBondContact O-N 3.07Å |
| 496 | K | 29.6 | Very low | 30.5 | Very low | 189 Ų | 189 | 127.9 Ų | 127.9 | 82% | 0.822 | 74% | 0.738 | S | S | * | * | | | trans | -65.6 | 86.5 | 172.2 | -75.7 | -178.6 | 176.1 | 177.4 | 0 | 107 | T494 | T494-K496 PolarHBondContact O-N 3.42Š|
| 497 | C | 29.1 | Very low | 31 | Very low | 90 Ų | 90 | 130.4 Ų | 130.4 | 61% | 0.608 | 74% | 0.738 | S | S | * | * | | | trans | -51.9 | 126.5 | 162.6 | -75.8 | 0 | 0 | 0 | 0 | 107.2 | I495 F499 | I495-C497 PolarHBondContact O-N 3.07Å; C497-F499 PolarHBondContact O-N 3.06Å |
| 498 | P | 31.8 | Very low | 31.7 | Very low | 125 Ų | 125 | 133.9 Ų | 133.9 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | | | trans | -61.5 | 116.1 | 178.2 | 23.7 | -32.1 | 0 | 0 | 0 | 108.5 | G500 | P498-G500 PolarHBondContact O-N 3.39Š|
| 499 | F | 30.9 | Very low | 32.8 | Very low | 194 Ų | 194 | 126.9 Ų | 126.9 | 85% | 0.851 | 73% | 0.732 | S | S | * | * | | | trans | -61.5 | 108 | 174.7 | -83.1 | -99.8 | 0 | 0 | 0 | 108.5 | C497 F501 | C497-F499 PolarHBondContact O-N 3.06Å; F499-F501 PolarHBondContact O-N 3.16Å |
| 500 | G | 34 | Very low | 33.4 | Very low | 81 Ų | 81 | 126.9 Ų | 126.9 | 84% | 0.835 | 74% | 0.74 | S | S | * | * | | | trans | -68.2 | 96.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | P498 G502 | P498-G500 PolarHBondContact O-N 3.39Å; G500-G502 PolarHBondContact O-N 2.9Å |
| 501 | F | 32.6 | Very low | 34.4 | Very low | 203 Ų | 203 | 127.5 Ų | 127.5 | 89% | 0.89 | 73% | 0.73 | S | S | * | * | | | trans | -60.4 | 129.1 | 173.2 | -95.4 | -99.6 | 0 | 0 | 0 | 111.3 | F499 | F499-F501 PolarHBondContact O-N 3.16Š|
| 502 | G | 30.6 | Very low | 35.8 | Very low | 75 Ų | 75 | 124.3 Ų | 124.3 | 77% | 0.773 | 71% | 0.711 | S | S | * | * | S | Bend | trans | 72.6 | 58.9 | 141.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | G500 | G500-G502 PolarHBondContact O-N 2.9Š|
| 503 | S | 34.3 | Very low | 37.3 | Very low | 63 Ų | 63 | 123.8 Ų | 123.8 | 44% | 0.441 | 71% | 0.712 | S | S | . | * | | | trans | -159.9 | 132.3 | 137.8 | 63.1 | 0 | 0 | 0 | 0 | 111.2 | T505 | S503-T505 PolarHBondContact O-N 3.44Å; S503-T505 VanDerWaalsContact O-N 3.11Å; S503-T505 PolarHBondContact OG-OG1 3.48Å |
| 504 | S | 35.8 | Very low | 38.8 | Very low | 130 Ų | 130 | 127.3 Ų | 127.3 | 91% | 0.909 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -69 | -3.1 | 177.9 | 52.4 | 0 | 0 | 0 | 0 | 114.5 | | |
| 505 | T | 36.5 | Very low | 40.3 | Very low | 91 Ų | 91 | 126 Ų | 126 | 56% | 0.558 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -84.7 | 119.6 | 172.3 | 38.7 | 0 | 0 | 0 | 0 | 111 | S503 R507 | S503-T505 PolarHBondContact O-N 3.44Å; S503-T505 VanDerWaalsContact O-N 3.11Å; S503-T505 PolarHBondContact OG-OG1 3.48Å; T505-R507 PolarHBondContact O-N 3.06Å |
| 506 | P | 39.3 | Very low | 41.7 | Very low | 105 Ų | 105 | 124 Ų | 124 | 68% | 0.682 | 69% | 0.689 | S | S | * | * | | | trans | -66.9 | 107.3 | 177 | 26.9 | -33.3 | 0 | 0 | 0 | 109.9 | F508 | P506-F508 PolarHBondContact O-N 3.39Š|
| 507 | R | 37 | Very low | 42.9 | Very low | 204 Ų | 204 | 121.4 Ų | 121.4 | 77% | 0.77 | 68% | 0.681 | S | S | * | * | | | trans | -77.3 | 109.8 | 170.3 | -63.3 | -173.1 | -174.2 | -163.8 | 1.6 | 108.4 | T505 V509 | T505-R507 PolarHBondContact O-N 3.06Å; R507-V509 PolarHBondContact O-N 3.34Å |
| 508 | F | 42.8 | Very low | 44 | Very low | 185 Ų | 185 | 124.6 Ų | 124.6 | 81% | 0.811 | 69% | 0.686 | S | S | * | * | | | trans | -63.1 | 105.1 | 169.3 | -68.9 | -87 | 0 | 0 | 0 | 109.1 | P506 C510 | P506-F508 PolarHBondContact O-N 3.39Å; F508-C510 PolarHBondContact O-N 3.42Å |
| 509 | V | 48.7 | Very low | 44.6 | Very low | 99 Ų | 99 | 125.9 Ų | 125.9 | 60% | 0.6 | 68% | 0.68 | S | S | * | * | | | trans | -78.5 | 102.7 | 169.7 | 179.7 | 0 | 0 | 0 | 0 | 107.3 | R507 Y511 | R507-V509 PolarHBondContact O-N 3.34Å; V509-Y511 HydrophobicContact CG1-CD1 4.48Å; V509-Y511 HydrophobicContact CG1-CE1 4.21Å; V509-Y511 PolarHBondContact O-N 3.09Å; V509-Y511 VanDerWaalsContact O-N 3.08Å |
| 510 | C | 44.2 | Very low | 45.2 | Very low | 116 Ų | 116 | 123.5 Ų | 123.5 | 78% | 0.784 | 67% | 0.669 | S | S | * | * | | | trans | -71.4 | 98.9 | 171.8 | -67.2 | 0 | 0 | 0 | 0 | 109.2 | F508 | F508-C510 PolarHBondContact O-N 3.42Š|
| 511 | Y | 51.5 | Low | 45.4 | Very low | 130 Ų | 130 | 128.7 Ų | 128.7 | 51% | 0.51 | 67% | 0.665 | S | S | . | * | | | trans | -62.5 | 135.2 | 170.4 | -64.3 | -72.5 | 0 | 0 | 0 | 110.6 | V509 E515 | V509-Y511 HydrophobicContact CG1-CD1 4.48Å; V509-Y511 HydrophobicContact CG1-CE1 4.21Å; V509-Y511 PolarHBondContact O-N 3.09Å; V509-Y511 VanDerWaalsContact O-N 3.08Å; Y511-E515 HydrophobicContact CD1-CB 4.16Å |
| 512 | T | 53.9 | Low | 45.6 | Very low | 76 Ų | 76 | 124.5 Ų | 124.5 | 47% | 0.466 | 66% | 0.658 | S | S | . | * | | | trans | -67.7 | 154.3 | 167.8 | 62.2 | 0 | 0 | 0 | 0 | 110.1 | K514 E515 L516 | T512-K514 PolarHBondContact O-N 3.38Å; T512-K514 VanDerWaalsContact O-N 3.08Å; T512-E515 WeakPolarHBondContact CB-OE2 3.44Å; T512-E515 PolarHBondContact N-OE2 3.17Å; T512-E515 PolarHBondContact O-N 3.03Å; T512-E515 WeakPolarHBondContact OG1-CG 3.24Å; T512-E515 PolarHBondContact OG1-N 3.2Å; T512-E515 PolarHBondContact OG1-OE2 3.08Å; T512-L516 PolarHBondContact O-N 3.49Å; T512-L516 VanDerWaalsContact O-N 3.16Å |
| 513 | S | 59.8 | Low | 45.8 | Very low | 101 Ų | 101 | 126.1 Ų | 126.1 | 71% | 0.706 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -56 | -25.7 | 173.9 | 46.6 | 0 | 0 | 0 | 0 | 113 | M517 | S513-M517 WeakPolarHBondContact O-CG 3.27Å; S513-M517 PolarHBondContact O-N 3.08Å |
| 514 | K | 57.6 | Low | 45.8 | Very low | 154 Ų | 154 | 129 Ų | 129 | 67% | 0.67 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -70.4 | -40.5 | 174.2 | -166.5 | 177 | -177.9 | -177.3 | 0 | 112.8 | T512 M517 H518 | T512-K514 PolarHBondContact O-N 3.38Å; T512-K514 VanDerWaalsContact O-N 3.08Å; K514-M517 PolarHBondContact O-N 3.28Å; K514-H518 PolarHBondContact O-CD2 3.01Å; K514-H518 VanDerWaalsContact O-CD2 3.28Å |
| 515 | E | 58.2 | Low | 45.5 | Very low | 90 Ų | 90 | 130 Ų | 130 | 42% | 0.421 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -69.8 | -39.7 | 177 | -70.3 | 159.4 | 131.3 | 0 | 0 | 111.3 | Y511 T512 M517 H518 F519 | Y511-E515 HydrophobicContact CD1-CB 4.16Å; T512-E515 WeakPolarHBondContact CB-OE2 3.44Å; T512-E515 PolarHBondContact N-OE2 3.17Å; T512-E515 PolarHBondContact O-N 3.03Å; T512-E515 WeakPolarHBondContact OG1-CG 3.24Å; T512-E515 PolarHBondContact OG1-N 3.2Å; T512-E515 PolarHBondContact OG1-OE2 3.08Å; E515-M517 PolarHBondContact O-N 3.48Å; E515-H518 PolarHBondContact O-N 2.97Å; E515-F519 WeakPolarHBondContact O-CD2 3.33Å |
| 516 | L | 58.4 | Low | 45.1 | Very low | 104 Ų | 104 | 133.9 Ų | 133.9 | 55% | 0.545 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -59.9 | -31.9 | 174.7 | -76.7 | 164.3 | 0 | 0 | 0 | 113.1 | T512 H518 F519 | T512-L516 PolarHBondContact O-N 3.49Å; T512-L516 VanDerWaalsContact O-N 3.16Å; L516-H518 VanDerWaalsContact C-N 3.31Å; L516-H518 PolarHBondContact O-N 3.04Å; L516-F519 PolarHBondContact O-N 3.24Å |
| 517 | M | 54.2 | Low | 44.5 | Very low | 134 Ų | 134 | 132.4 Ų | 132.4 | 66% | 0.66 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -66.1 | -30.9 | 174.1 | -72.7 | -80.2 | -124.6 | 0 | 0 | 112.8 | S513 K514 E515 F519 K520 | S513-M517 WeakPolarHBondContact O-CG 3.27Å; S513-M517 PolarHBondContact O-N 3.08Å; K514-M517 PolarHBondContact O-N 3.28Å; E515-M517 PolarHBondContact O-N 3.48Å; M517-F519 VanDerWaalsContact C-N 3.28Å; M517-F519 PolarHBondContact O-N 3.44Å; M517-K520 PolarHBondContact O-N 2.88Å |
| 518 | H | 51.6 | Low | 43.9 | Very low | 156 Ų | 156 | 129.4 Ų | 129.4 | 72% | 0.722 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -75.3 | -14.1 | 178.2 | -76.2 | -75 | 0 | 0 | 0 | 113.7 | K514 E515 L516 K520 | K514-H518 PolarHBondContact O-CD2 3.01Å; K514-H518 VanDerWaalsContact O-CD2 3.28Å; E515-H518 PolarHBondContact O-N 2.97Å; L516-H518 VanDerWaalsContact C-N 3.31Å; L516-H518 PolarHBondContact O-N 3.04Å; H518-K520 VanDerWaalsContact C-N 3.31Å |
| 519 | F | 45.3 | Very low | 43.2 | Very low | 153 Ų | 153 | 126.9 Ų | 126.9 | 67% | 0.671 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | 1.6 | 173 | -75.7 | -77.4 | 0 | 0 | 0 | 114 | E515 L516 M517 Y521 | E515-F519 WeakPolarHBondContact O-CD2 3.33Å; L516-F519 PolarHBondContact O-N 3.24Å; M517-F519 VanDerWaalsContact C-N 3.28Å; M517-F519 PolarHBondContact O-N 3.44Å; F519-Y521 PolarHBondContact O-N 3.14Å |
| 520 | K | 42 | Very low | 42.1 | Very low | 143 Ų | 143 | 127.3 Ų | 127.3 | 62% | 0.622 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -78.7 | 108.2 | 175 | -97.3 | -177.6 | 175.5 | 176.7 | 0 | 111.9 | M517 H518 | M517-K520 PolarHBondContact O-N 2.88Å; H518-K520 VanDerWaalsContact C-N 3.31Å |
| 521 | Y | 39.4 | Very low | 41.3 | Very low | 191 Ų | 191 | 128.2 Ų | 128.2 | 75% | 0.749 | 67% | 0.67 | S | S | * | * | | | trans | 68.3 | 106 | 165.1 | -52.9 | -73 | 0 | 0 | 0 | 116.4 | F519 S523 | F519-Y521 PolarHBondContact O-N 3.14Å; Y521-S523 PolarHBondContact O-N 3.01Å |
| 522 | P | 37.2 | Very low | 40 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 75% | 0.747 | 69% | 0.687 | S | S | * | * | | | trans | -56.4 | 129 | 147.6 | 26.9 | -33.5 | 0 | 0 | 0 | 108.1 | V524 | P522-V524 PolarHBondContact O-N 3.35Š|
| 523 | S | 34.7 | Very low | 38.8 | Very low | 108 Ų | 108 | 135.2 Ų | 135.2 | 76% | 0.755 | 70% | 0.7 | S | S | * | * | | | trans | -61.4 | 107.7 | 176.9 | -71.1 | 0 | 0 | 0 | 0 | 109 | Y521 I525 | Y521-S523 PolarHBondContact O-N 3.01Å; S523-I525 PolarHBondContact O-N 3.36Å |
| 524 | V | 32.9 | Very low | 37.1 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 76% | 0.758 | 70% | 0.7 | S | S | * | * | | | trans | -71.6 | 86.8 | 173.1 | -176.1 | 0 | 0 | 0 | 0 | 107.2 | P522 K526 | P522-V524 PolarHBondContact O-N 3.35Å; V524-K526 VanDerWaalsContact C-N 3.31Å; V524-K526 PolarHBondContact O-N 3.02Å |
| 525 | I | 30.4 | Very low | 35.6 | Very low | 150 Ų | 150 | 134.5 Ų | 134.5 | 77% | 0.769 | 70% | 0.704 | S | S | * | * | | | trans | -63.2 | 97.9 | 171.6 | -60 | 176.4 | 0 | 0 | 0 | 106.4 | S523 A527 | S523-I525 PolarHBondContact O-N 3.36Å; I525-A527 VanDerWaalsContact C-N 3.26Å; I525-A527 PolarHBondContact O-N 2.81Å |
| 526 | K | 28.7 | Very low | 34 | Very low | 173 Ų | 173 | 137.9 Ų | 137.9 | 75% | 0.752 | 72% | 0.72 | S | S | * | * | | | trans | -67.5 | 91.3 | 168.7 | -71.7 | -177.2 | 177.9 | -179.2 | 0 | 107.5 | V524 N528 | V524-K526 VanDerWaalsContact C-N 3.31Å; V524-K526 PolarHBondContact O-N 3.02Å; K526-N528 VanDerWaalsContact C-N 3.33Å; K526-N528 PolarHBondContact O-N 3Å |
| 527 | A | 26.5 | Very low | 32.4 | Very low | 73 Ų | 73 | 142 Ų | 142 | 60% | 0.603 | 73% | 0.734 | S | S | * | * | | | trans | -61.8 | 98.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | I525 N529 | I525-A527 VanDerWaalsContact C-N 3.26Å; I525-A527 PolarHBondContact O-N 2.81Å; A527-N529 PolarHBondContact O-N 3.22Å |
| 528 | N | 24.4 | Very low | 31 | Very low | 141 Ų | 141 | 140.2 Ų | 140.2 | 75% | 0.754 | 73% | 0.734 | S | S | * | * | | | trans | -69 | 79.5 | 170.8 | -79.6 | -16.6 | 0 | 0 | 0 | 108.4 | K526 S530 | K526-N528 VanDerWaalsContact C-N 3.33Å; K526-N528 PolarHBondContact O-N 3Å; N528-S530 PolarHBondContact O-N 3.3Å |
| 529 | N | 26.4 | Very low | 29.6 | Very low | 132 Ų | 132 | 140.9 Ų | 140.9 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | | | trans | -71.5 | 77.8 | 167.4 | -75.7 | -11.2 | 0 | 0 | 0 | 108.4 | A527 N531 | A527-N529 PolarHBondContact O-N 3.22Å; N529-N531 PolarHBondContact O-N 2.92Å |
| 530 | S | 26.7 | Very low | 28.8 | Very low | 108 Ų | 108 | 142.9 Ų | 142.9 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | | | trans | -72 | 55.5 | 170 | 49.7 | 0 | 0 | 0 | 0 | 110.9 | N528 R532 | N528-S530 PolarHBondContact O-N 3.3Å; S530-R532 VanDerWaalsContact C-N 3.34Å; S530-R532 PolarHBondContact O-N 2.82Å |
| 531 | N | 27.7 | Very low | 27.8 | Very low | 135 Ų | 135 | 139.9 Ų | 139.9 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | | | trans | -71.4 | 95.8 | 171.9 | -82 | -4.5 | 0 | 0 | 0 | 108.7 | N529 V533 | N529-N531 PolarHBondContact O-N 2.92Å; N531-V533 PolarHBondContact O-N 2.87Å |
| 532 | R | 23.9 | Very low | 27.4 | Very low | 229 Ų | 229 | 136.5 Ų | 136.5 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | | | trans | -59.4 | 75.2 | 175.2 | -175 | -174.5 | -175.5 | 176.2 | 2.3 | 111.2 | S530 N534 | S530-R532 VanDerWaalsContact C-N 3.34Å; S530-R532 PolarHBondContact O-N 2.82Å; R532-N534 PolarHBondContact O-N 2.85Å |
| 533 | V | 28.4 | Very low | 26.9 | Very low | 125 Ų | 125 | 141.3 Ų | 141.3 | 76% | 0.758 | 75% | 0.754 | S | S | * | * | | | trans | -78.1 | 103.7 | 169.5 | -178.7 | 0 | 0 | 0 | 0 | 108 | N531 S535 | N531-V533 PolarHBondContact O-N 2.87Å; V533-S535 PolarHBondContact O-N 3.06Å |
| 534 | N | 24 | Very low | 26.3 | Very low | 131 Ų | 131 | 143.9 Ų | 143.9 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | | | trans | -61.9 | 98.3 | 166.4 | -84.1 | -14.5 | 0 | 0 | 0 | 109.2 | R532 | R532-N534 PolarHBondContact O-N 2.85Š|
| 535 | S | 27 | Very low | 26 | Very low | 108 Ų | 108 | 144.7 Ų | 144.7 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | | | trans | -101 | 87.6 | 155.8 | 63.2 | 0 | 0 | 0 | 0 | 108.6 | V533 | V533-S535 PolarHBondContact O-N 3.06Š|
| 536 | Q | 24.2 | Very low | 25.7 | Very low | 161 Ų | 161 | 142.9 Ų | 142.9 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | | | trans | -54.1 | 135.9 | 153.3 | -67.4 | 159.2 | -57.4 | 0 | 0 | 107.5 | | |
| 537 | F | 24.5 | Very low | 25.5 | Very low | 190 Ų | 190 | 139.2 Ų | 139.2 | 83% | 0.833 | 75% | 0.753 | S | S | * | * | | | | 171.7 | 144.3 | 126.6 | -99.1 | -71.5 | 0 | 0 | 0 | 111.8 | | |
| 538 | C | 25.4 | Very low | 25.3 | Very low | 97 Ų | 97 | 141.2 Ų | 141.2 | 66% | 0.655 | 76% | 0.763 | S | S | * | * | | | trans | 66.2 | 87.9 | 161.6 | -58 | 0 | 0 | 0 | 0 | 118.4 | Y540 | C538-Y540 HydrophobicContact CB-CD2 4.45Å; C538-Y540 PolarHBondContact O-N 3.22Å |
| 539 | N | 22.6 | Very low | 25.3 | Very low | 170 Ų | 170 | 145.1 Ų | 145.1 | 91% | 0.909 | 77% | 0.767 | S | S | * | * | | | trans | -56 | 116.4 | 142.1 | -77.1 | -36.5 | 0 | 0 | 0 | 109.3 | | |
| 540 | Y | 27.3 | Very low | 25.2 | Very low | 196 Ų | 196 | 147.8 Ų | 147.8 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | | | trans | -121.2 | 93.8 | 154.3 | -102 | -88.7 | 0 | 0 | 0 | 108.2 | C538 D542 | C538-Y540 HydrophobicContact CB-CD2 4.45Å; C538-Y540 PolarHBondContact O-N 3.22Å; Y540-D542 PolarHBondContact O-N 3.03Å |
| 541 | G | 22.4 | Very low | 25.2 | Very low | 79 Ų | 79 | 149.5 Ų | 149.5 | 81% | 0.814 | 78% | 0.776 | S | S | * | * | | | trans | -86.9 | 85.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 542 | D | 30 | Very low | 25 | Very low | 120 Ų | 120 | 148.2 Ų | 148.2 | 64% | 0.642 | 78% | 0.778 | S | S | * | * | | | trans | -112.2 | 102.1 | 173.9 | -93.2 | -49 | 0 | 0 | 0 | 112.8 | Y540 | Y540-D542 PolarHBondContact O-N 3.03Š|
| 543 | R | 25.9 | Very low | 24.9 | Very low | 216 Ų | 216 | 147.6 Ų | 147.6 | 82% | 0.815 | 78% | 0.777 | S | S | * | * | | | trans | 34 | 112.7 | 147 | -58.9 | -176.7 | -172.5 | -141.9 | -2.1 | 118.8 | I545 | R543-I545 PolarHBondContact O-N 3.35Å; R543-I545 VanDerWaalsContact O-N 3.17Å |
| 544 | I | 22.7 | Very low | 24.7 | Very low | 162 Ų | 162 | 148.5 Ų | 148.5 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | | | trans | -49.9 | 114.8 | 150.5 | -58.1 | 164.3 | 0 | 0 | 0 | 109.6 | | |
| 545 | I | 27.8 | Very low | 24.7 | Very low | 142 Ų | 142 | 151.4 Ų | 151.4 | 73% | 0.728 | 79% | 0.789 | S | S | * | * | | | trans | -125.4 | 103.6 | 157.3 | -62.1 | -177.5 | 0 | 0 | 0 | 108 | R543 S547 | R543-I545 PolarHBondContact O-N 3.35Å; R543-I545 VanDerWaalsContact O-N 3.17Å; I545-S547 PolarHBondContact O-N 3.27Å |
| 546 | S | 22.6 | Very low | 24.6 | Very low | 113 Ų | 113 | 155.6 Ų | 155.6 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | | | trans | -73.4 | 99 | 170.1 | -54.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 547 | S | 24.6 | Very low | 24.5 | Very low | 95 Ų | 95 | 152.5 Ų | 152.5 | 66% | 0.664 | 79% | 0.793 | S | S | * | * | | | trans | -107.5 | 96.8 | 168.9 | 70.1 | 0 | 0 | 0 | 0 | 111 | I545 R549 | I545-S547 PolarHBondContact O-N 3.27Å; S547-R549 PolarHBondContact O-N 3.21Å |
| 548 | S | 22.5 | Very low | 24.5 | Very low | 115 Ų | 115 | 152.5 Ų | 152.5 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | -67.4 | 109.4 | 167.6 | 55.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 549 | R | 25.3 | Very low | 24.4 | Very low | 224 Ų | 224 | 154.7 Ų | 154.7 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | | | trans | -118.9 | 95.3 | 160.8 | -77.4 | -167.3 | 174.6 | -164.7 | -0.9 | 109.8 | S547 N551 | S547-R549 PolarHBondContact O-N 3.21Å; R549-N551 PolarHBondContact O-N 2.82Å |
| 550 | Q | 24.2 | Very low | 24.5 | Very low | 188 Ų | 188 | 156.5 Ų | 156.5 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | | | trans | -61.3 | 118.9 | 159.5 | -66.3 | 171.4 | -21.5 | 0 | 0 | 107.6 | | |
| 551 | N | 26.2 | Very low | 24.5 | Very low | 143 Ų | 143 | 152.3 Ų | 152.3 | 77% | 0.765 | 80% | 0.796 | S | S | * | * | | | trans | -120.1 | 100.1 | 169.8 | -100.3 | -5.4 | 0 | 0 | 0 | 109.5 | R549 | R549-N551 PolarHBondContact O-N 2.82Š|
| 552 | S | 24.5 | Very low | 24.6 | Very low | 108 Ų | 108 | 154.8 Ų | 154.8 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | | | trans | 42.2 | 113 | 132.8 | -50.5 | 0 | 0 | 0 | 0 | 119.4 | | |
| 553 | Y | 20.1 | Very low | 24.5 | Very low | 217 Ų | 217 | 160.6 Ų | 160.6 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | | | trans | -60.1 | 137.9 | 168.1 | -60.8 | -95.7 | 0 | 0 | 0 | 113.5 | | |
| 554 | T | 25.4 | Very low | 24.4 | Very low | 143 Ų | 143 | 157.2 Ų | 157.2 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | | | trans | -115.7 | 97.8 | 150 | 43.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 555 | K | 24.3 | Very low | 24.5 | Very low | 192 Ų | 192 | 161 Ų | 161 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | | | trans | -77.3 | 118.9 | 168.4 | -74.1 | 176.5 | 176.6 | 174.1 | 0 | 108.6 | | |
| 556 | Q | 23.8 | Very low | 24.2 | Very low | 196 Ų | 196 | 161.9 Ų | 161.9 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | | | trans | -101.1 | 112.5 | 163.3 | -125.5 | 167.9 | 3.9 | 0 | 0 | 108.6 | | |
| 557 | S | 22.8 | Very low | 24.4 | Very low | 96 Ų | 96 | 163.5 Ų | 163.5 | 67% | 0.671 | 80% | 0.795 | S | S | * | * | | | trans | -69.4 | 143.5 | 173.4 | 49.2 | 0 | 0 | 0 | 0 | 111.2 | | |
| 558 | F | 24.6 | Very low | 24.3 | Very low | 190 Ų | 190 | 164.9 Ų | 164.9 | 83% | 0.833 | 80% | 0.795 | S | S | * | * | | | trans | -164.2 | 122.9 | 135.2 | -98 | -65 | 0 | 0 | 0 | 111.6 | | |
| 559 | I | 22.8 | Very low | 24.7 | Very low | 144 Ų | 144 | 169.7 Ų | 169.7 | 74% | 0.738 | 80% | 0.802 | S | S | * | * | | | trans | 42.1 | 102.6 | 154 | -56.6 | 156.1 | 0 | 0 | 0 | 117.8 | | |
| 560 | K | 25.7 | Very low | 24.5 | Very low | 207 Ų | 207 | 169.6 Ų | 169.6 | 90% | 0.9 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 122.6 | 142.2 | -79.3 | -175.2 | 173.8 | -176.1 | 0 | 107.7 | | |
| 561 | S | 26.9 | Very low | 24.7 | Very low | 109 Ų | 109 | 169.1 Ų | 169.1 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 139.8 | 169.9 | 50.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 562 | E | 24.7 | Very low | 24.6 | Very low | 130 Ų | 130 | 166.6 Ų | 166.6 | 61% | 0.607 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 141.4 | -170.4 | -53.6 | 174.4 | 135 | 0 | 0 | 112.1 | Y564 | E562-Y564 HydrophobicContact CB-CD2 4.1Å; E562-Y564 HydrophobicContact CB-CE2 3.96Å; E562-Y564 HydrophobicContact CG-CE2 3.98Å; E562-Y564 WeakPolarHBondContact OE1-CE2 3.26Å |
| 563 | Y | 27.7 | Very low | 24.6 | Very low | 242 Ų | 242 | 171 Ų | 171 | 95% | 0.949 | 80% | 0.799 | S | S | * | * | | | trans | -142.1 | 106.5 | 143.3 | -91.3 | -72.1 | 0 | 0 | 0 | 108.4 | | |
| 564 | Y | 23 | Very low | 24.9 | Very low | 146 Ų | 146 | 165.5 Ų | 165.5 | 57% | 0.573 | 79% | 0.793 | S | S | * | * | | | trans | -86.5 | 135.7 | 176.7 | -70.5 | -89.6 | 0 | 0 | 0 | 110.5 | E562 Y566 | E562-Y564 HydrophobicContact CB-CD2 4.1Å; E562-Y564 HydrophobicContact CB-CE2 3.96Å; E562-Y564 HydrophobicContact CG-CE2 3.98Å; E562-Y564 WeakPolarHBondContact OE1-CE2 3.26Å; Y564-Y566 AromaticContact CD1-CD2 3.88Å; Y564-Y566 HydrophobicContact CD1-CD2 3.88Å; Y564-Y566 AromaticContact CD1-CE2 3.67Å; Y564-Y566 HydrophobicContact CD1-CE2 3.67Å; Y564-Y566 HydrophobicContact CE1-CD2 4.49Å; Y564-Y566 AromaticContact CE1-CE2 3.83Å; Y564-Y566 HydrophobicContact CE1-CE2 3.83Å |
| 565 | Y | 25.5 | Very low | 24.7 | Very low | 242 Ų | 242 | 163.4 Ų | 163.4 | 95% | 0.949 | 79% | 0.789 | S | S | * | * | | | trans | -138.6 | 116.1 | 135.4 | -96.8 | -75.8 | 0 | 0 | 0 | 109.3 | | |
| 566 | Y | 22.1 | Very low | 24.8 | Very low | 159 Ų | 159 | 162.7 Ų | 162.7 | 62% | 0.624 | 79% | 0.789 | S | S | * | * | | | trans | -88.7 | 134.2 | 176 | -95.5 | -83.7 | 0 | 0 | 0 | 110.4 | Y564 N568 | Y564-Y566 AromaticContact CD1-CD2 3.88Å; Y564-Y566 HydrophobicContact CD1-CD2 3.88Å; Y564-Y566 AromaticContact CD1-CE2 3.67Å; Y564-Y566 HydrophobicContact CD1-CE2 3.67Å; Y564-Y566 HydrophobicContact CE1-CD2 4.49Å; Y564-Y566 AromaticContact CE1-CE2 3.83Å; Y564-Y566 HydrophobicContact CE1-CE2 3.83Å; Y566-N568 WeakPolarHBondContact CD1-ND2 3.35Å |
| 567 | T | 26.4 | Very low | 24.8 | Very low | 147 Ų | 147 | 161.3 Ų | 161.3 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | | | trans | -134.1 | 92.7 | 147.1 | 37.6 | 0 | 0 | 0 | 0 | 109.7 | K569 | T567-K569 PolarHBondContact O-N 3.17Š|
| 568 | N | 21.8 | Very low | 24.9 | Very low | 125 Ų | 125 | 163.4 Ų | 163.4 | 67% | 0.668 | 79% | 0.786 | S | S | * | * | | | trans | -71 | 123.8 | 174.4 | -68.3 | -61.9 | 0 | 0 | 0 | 110.7 | Y566 | Y566-N568 WeakPolarHBondContact CD1-ND2 3.35Š|
| 569 | K | 30.8 | Very low | 24.9 | Very low | 215 Ų | 215 | 159.8 Ų | 159.8 | 94% | 0.935 | 78% | 0.78 | S | S | * | * | | | trans | -130.8 | 108.4 | 143.2 | -77 | -162.5 | 177.1 | 179.9 | 0 | 110.9 | T567 | T567-K569 PolarHBondContact O-N 3.17Š|
| 570 | R | 22 | Very low | 24.8 | Very low | 223 Ų | 223 | 158.2 Ų | 158.2 | 84% | 0.842 | 78% | 0.777 | S | S | * | * | | | trans | -81.3 | 124.9 | -176.6 | -179.2 | -170.5 | -161.1 | 178.3 | 5.6 | 109.1 | V572 | R570-V572 HydrophobicContact CG-CG2 3.74Š|
| 571 | L | 28.1 | Very low | 24.6 | Very low | 178 Ų | 178 | 155.1 Ų | 155.1 | 93% | 0.932 | 77% | 0.77 | S | S | * | * | | | trans | -134.8 | 130.4 | 159.5 | -118.7 | 152.7 | 0 | 0 | 0 | 108.2 | | |
| 572 | V | 23.7 | Very low | 24.5 | Very low | 90 Ų | 90 | 158.5 Ų | 158.5 | 55% | 0.545 | 77% | 0.774 | S | S | . | * | | | trans | -145.2 | 137.9 | -153.8 | 158.9 | 0 | 0 | 0 | 0 | 108.2 | R570 | R570-V572 HydrophobicContact CG-CG2 3.74Š|
| 573 | K | 24.8 | Very low | 24.4 | Very low | 199 Ų | 199 | 159.9 Ų | 159.9 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | | | trans | 69.7 | 150.7 | -177.2 | -60.2 | 157.3 | -174.6 | -173.7 | 0 | 111.9 | | |
| 574 | S | 25.7 | Very low | 24.3 | Very low | 103 Ų | 103 | 155.5 Ų | 155.5 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | | | cis | -134.7 | 148 | 25.3 | -169.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 575 | A | 21.9 | Very low | 24.3 | Very low | 98 Ų | 98 | 155.9 Ų | 155.9 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | | | trans | -88.9 | 117.4 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 576 | H | 25.6 | Very low | 24.5 | Very low | 178 Ų | 178 | 150 Ų | 150 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | | | trans | -128.6 | 121 | 166.6 | -131.2 | 39.7 | 0 | 0 | 0 | 110.6 | | |
| 577 | Q | 23.5 | Very low | 24.7 | Very low | 166 Ų | 166 | 149.5 Ų | 149.5 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | | | trans | -69.8 | 138.6 | 167.2 | -61.9 | 159.3 | -33.9 | 0 | 0 | 107.3 | | |
| 578 | N | 25.7 | Very low | 24.8 | Very low | 141 Ų | 141 | 149.4 Ų | 149.4 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | | | | 168.3 | 131.4 | 123.4 | -86.1 | -22.1 | 0 | 0 | 0 | 113.1 | | |
| 579 | T | 23.9 | Very low | 25.2 | Very low | 114 Ų | 114 | 152.5 Ų | 152.5 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | | | | 61.6 | 96.1 | 127.6 | -46.8 | 0 | 0 | 0 | 0 | 119 | | |
| 580 | T | 21.7 | Very low | 25.1 | Very low | 110 Ų | 110 | 149.4 Ų | 149.4 | 68% | 0.675 | 78% | 0.78 | S | S | * | * | | | | 59.4 | 122.2 | 116.8 | -49.6 | 0 | 0 | 0 | 0 | 119.8 | | |
| 581 | N | 21.1 | Very low | 25.4 | Very low | 142 Ų | 142 | 148 Ų | 148 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | | | trans | 59.9 | 101.4 | 157.2 | -61.3 | -9.2 | 0 | 0 | 0 | 117.6 | | |
| 582 | H | 25 | Very low | 25.3 | Very low | 181 Ų | 181 | 149.3 Ų | 149.3 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | | | | -151.2 | 131.5 | 116.4 | -116.9 | -77.2 | 0 | 0 | 0 | 111.8 | | |
| 583 | I | 23.3 | Very low | 25.5 | Very low | 159 Ų | 159 | 153.1 Ų | 153.1 | 82% | 0.815 | 79% | 0.789 | S | S | * | * | | | trans | -74.7 | 124.3 | 165 | -64.8 | 164.1 | 0 | 0 | 0 | 106.6 | | |
| 584 | N | 25.4 | Very low | 25.7 | Very low | 149 Ų | 149 | 150 Ų | 150 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | | | trans | -158.1 | 137.4 | 154.6 | -98.1 | -27.9 | 0 | 0 | 0 | 110.5 | | |
| 585 | N | 21.4 | Very low | 25.7 | Very low | 154 Ų | 154 | 156.2 Ų | 156.2 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | | | trans | -72.6 | 123.9 | 177.5 | -83 | -45.1 | 0 | 0 | 0 | 111.3 | | |
| 586 | T | 30 | Very low | 26 | Very low | 119 Ų | 119 | 160 Ų | 160 | 73% | 0.73 | 79% | 0.79 | S | S | * | * | | | trans | -139.1 | 132.5 | 148.5 | 41.4 | 0 | 0 | 0 | 0 | 110.6 | D588 | T586-D588 PolarHBondContact O-N 3.38Š|
| 587 | N | 26.4 | Very low | 26.1 | Very low | 149 Ų | 149 | 156.5 Ų | 156.5 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | | | trans | -82.4 | 71.1 | -171.4 | -73.2 | -59.9 | 0 | 0 | 0 | 112.7 | K589 | N587-K589 VanDerWaalsContact C-N 3.28Å; N587-K589 PolarHBondContact O-N 3.39Å |
| 588 | D | 28.1 | Very low | 26.2 | Very low | 144 Ų | 144 | 156.3 Ų | 156.3 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | | | trans | -78.1 | 80.7 | 172.7 | -73.9 | -16.8 | 0 | 0 | 0 | 110.9 | T586 L590 | T586-D588 PolarHBondContact O-N 3.38Å; D588-L590 PolarHBondContact O-N 2.93Å |
| 589 | K | 30.6 | Very low | 26.3 | Very low | 190 Ų | 190 | 154.3 Ų | 154.3 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | | | trans | -61.6 | 101.7 | 168.4 | -81.8 | 179.8 | 175.1 | 174.2 | 0 | 109.5 | N587 H591 | N587-K589 VanDerWaalsContact C-N 3.28Å; N587-K589 PolarHBondContact O-N 3.39Å; K589-H591 PolarHBondContact O-N 3.21Å; K589-H591 VanDerWaalsContact O-N 3.09Å |
| 590 | L | 28.4 | Very low | 26.5 | Very low | 150 Ų | 150 | 156 Ų | 156 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | | | trans | -54 | 114.7 | 170.7 | -76.4 | 164.3 | 0 | 0 | 0 | 110.6 | D588 Y592 | D588-L590 PolarHBondContact O-N 2.93Å; L590-Y592 PolarHBondContact O-N 2.75Å |
| 591 | H | 28.6 | Very low | 26.7 | Very low | 194 Ų | 194 | 159.7 Ų | 159.7 | 90% | 0.898 | 79% | 0.793 | S | S | * | * | | | trans | -61.9 | 94.3 | 171.5 | -96.3 | -81.2 | 0 | 0 | 0 | 110.3 | K589 Q593 | K589-H591 PolarHBondContact O-N 3.21Å; K589-H591 VanDerWaalsContact O-N 3.09Å; H591-Q593 PolarHBondContact O-N 3.48Å |
| 592 | Y | 27.5 | Very low | 27 | Very low | 205 Ų | 205 | 160 Ų | 160 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | -72.3 | 122.4 | 157.8 | -86.4 | -89.4 | 0 | 0 | 0 | 108.5 | L590 N594 | L590-Y592 PolarHBondContact O-N 2.75Å; Y592-N594 PolarHBondContact O-N 3.2Å |
| 593 | Q | 28 | Very low | 27.4 | Very low | 170 Ų | 170 | 156.8 Ų | 156.8 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | | | trans | -52.3 | 111.3 | 172.1 | -82.9 | -77.7 | -10.9 | 0 | 0 | 109.3 | H591 W595 | H591-Q593 PolarHBondContact O-N 3.48Å; Q593-W595 PolarHBondContact O-N 3.16Å; Q593-W595 VanDerWaalsContact O-N 3.15Å |
| 594 | N | 28.5 | Very low | 27.6 | Very low | 133 Ų | 133 | 155.2 Ų | 155.2 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | | | trans | -67 | 110.9 | 177.6 | -177.2 | 8.7 | 0 | 0 | 0 | 108.1 | Y592 Q596 | Y592-N594 PolarHBondContact O-N 3.2Å; N594-Q596 VanDerWaalsContact C-N 3.27Å; N594-Q596 PolarHBondContact O-N 3.45Å |
| 595 | W | 25.1 | Very low | 27.9 | Very low | 234 Ų | 234 | 154.8 Ų | 154.8 | 89% | 0.886 | 78% | 0.783 | S | S | * | * | | | trans | -66.8 | 92.7 | 170 | -82.6 | 67.7 | 0 | 0 | 0 | 108.1 | Q593 S597 | Q593-W595 PolarHBondContact O-N 3.16Å; Q593-W595 VanDerWaalsContact O-N 3.15Å; W595-S597 PolarHBondContact O-N 3Å |
| 596 | Q | 28.7 | Very low | 28.1 | Very low | 178 Ų | 178 | 152.6 Ų | 152.6 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | | | trans | -53.8 | 104.3 | 173.6 | -73.7 | -179.8 | -21.6 | 0 | 0 | 108.5 | N594 L598 | N594-Q596 VanDerWaalsContact C-N 3.27Å; N594-Q596 PolarHBondContact O-N 3.45Å; Q596-L598 PolarHBondContact O-N 2.88Å |
| 597 | S | 27 | Very low | 28 | Very low | 105 Ų | 105 | 154.5 Ų | 154.5 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | | | trans | -67.3 | 123.5 | 170.7 | -64.2 | 0 | 0 | 0 | 0 | 106.7 | W595 S599 | W595-S597 PolarHBondContact O-N 3Å; S597-S599 PolarHBondContact O-N 3.29Å |
| 598 | L | 25 | Very low | 28.1 | Very low | 161 Ų | 161 | 154.7 Ų | 154.7 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | | | trans | -71.3 | 71.6 | -174 | -167.2 | 80.7 | 0 | 0 | 0 | 111 | Q596 L600 | Q596-L598 PolarHBondContact O-N 2.88Å; L598-L600 PolarHBondContact O-N 3Å |
| 599 | S | 28.7 | Very low | 28 | Very low | 99 Ų | 99 | 153.9 Ų | 153.9 | 69% | 0.692 | 79% | 0.785 | S | S | * | * | | | trans | -78.1 | 97.5 | 170.7 | 50.9 | 0 | 0 | 0 | 0 | 108.8 | S597 Y601 | S597-S599 PolarHBondContact O-N 3.29Å; S599-Y601 VanDerWaalsContact C-N 3.29Å; S599-Y601 PolarHBondContact O-N 3.3Å |
| 600 | L | 27.8 | Very low | 27.8 | Very low | 150 Ų | 150 | 156 Ų | 156 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | trans | -62.4 | 89.8 | 167.7 | -76.4 | 157.9 | 0 | 0 | 0 | 109.2 | L598 | L598-L600 PolarHBondContact O-N 3Š|
| 601 | Y | 26.8 | Very low | 27.7 | Very low | 187 Ų | 187 | 155.7 Ų | 155.7 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | | | trans | -88.5 | 112.2 | 171.5 | -140.8 | -96 | 0 | 0 | 0 | 107.8 | S599 D603 | S599-Y601 VanDerWaalsContact C-N 3.29Å; S599-Y601 PolarHBondContact O-N 3.3Å; Y601-D603 WeakPolarHBondContact CD1-OD1 3.46Å; Y601-D603 WeakPolarHBondContact CD1-OD2 3.39Å; Y601-D603 VanDerWaalsContact CE1-OD1 3.27Å; Y601-D603 WeakPolarHBondContact CE1-OD1 3.41Å; Y601-D603 PolarHBondContact O-N 3.04Å |
| 602 | L | 27.5 | Very low | 27.6 | Very low | 150 Ų | 150 | 151.6 Ų | 151.6 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | | | trans | -91.4 | 73.3 | -179 | -73 | 164.7 | 0 | 0 | 0 | 109 | C604 | L602-C604 PolarHBondContact O-N 3.1Å; L602-C604 VanDerWaalsContact O-N 3.17Å |
| 603 | D | 32.2 | Very low | 27.5 | Very low | 112 Ų | 112 | 149.9 Ų | 149.9 | 60% | 0.599 | 79% | 0.788 | S | S | * | * | | | trans | -76.4 | 101 | 169.5 | -75.7 | -31.1 | 0 | 0 | 0 | 109.1 | Y601 D605 | Y601-D603 WeakPolarHBondContact CD1-OD1 3.46Å; Y601-D603 WeakPolarHBondContact CD1-OD2 3.39Å; Y601-D603 VanDerWaalsContact CE1-OD1 3.27Å; Y601-D603 WeakPolarHBondContact CE1-OD1 3.41Å; Y601-D603 PolarHBondContact O-N 3.04Å; D603-D605 PolarHBondContact O-N 3.01Å |
| 604 | C | 27 | Very low | 27.5 | Very low | 126 Ų | 126 | 145.1 Ų | 145.1 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | | | trans | -76.9 | 64.9 | 171.4 | -67.4 | 0 | 0 | 0 | 0 | 110.3 | L602 S606 | L602-C604 PolarHBondContact O-N 3.1Å; L602-C604 VanDerWaalsContact O-N 3.17Å; C604-S606 PolarHBondContact O-N 3.12Å |
| 605 | D | 31.8 | Very low | 27.4 | Very low | 141 Ų | 141 | 143.5 Ų | 143.5 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | | | trans | -66.3 | 120.9 | 175 | -85 | -20.6 | 0 | 0 | 0 | 110.5 | D603 I607 | D603-D605 PolarHBondContact O-N 3.01Å; D605-I607 PolarHBondContact O-N 3.42Å |
| 606 | S | 26.5 | Very low | 27.6 | Very low | 108 Ų | 108 | 140.2 Ų | 140.2 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | | | trans | -68.6 | 112.7 | 179 | 45.4 | 0 | 0 | 0 | 0 | 110.2 | C604 N608 | C604-S606 PolarHBondContact O-N 3.12Å; S606-N608 VanDerWaalsContact C-N 3.32Å; S606-N608 PolarHBondContact O-N 3.34Å |
| 607 | I | 28.7 | Very low | 27.5 | Very low | 158 Ų | 158 | 140.8 Ų | 140.8 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | | | trans | -68.7 | 91.5 | 178.7 | -59.2 | 174.4 | 0 | 0 | 0 | 108.9 | D605 T609 | D605-I607 PolarHBondContact O-N 3.42Å; I607-T609 PolarHBondContact O-N 3.43Å |
| 608 | N | 26.8 | Very low | 27.5 | Very low | 154 Ų | 154 | 140.7 Ų | 140.7 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | | | trans | -74.7 | 104.6 | 176.4 | -134.6 | -16.2 | 0 | 0 | 0 | 108.7 | S606 R610 | S606-N608 VanDerWaalsContact C-N 3.32Å; S606-N608 PolarHBondContact O-N 3.34Å; N608-R610 PolarHBondContact O-N 3.02Å |
| 609 | T | 27.5 | Very low | 27.6 | Very low | 126 Ų | 126 | 140.6 Ų | 140.6 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | | | trans | -68.8 | 98.4 | -175.2 | 46.3 | 0 | 0 | 0 | 0 | 111.7 | I607 | I607-T609 PolarHBondContact O-N 3.43Š|
| 610 | R | 24.8 | Very low | 27.3 | Very low | 235 Ų | 235 | 143 Ų | 143 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | | | trans | -142.7 | 54.1 | 168.6 | -149.7 | 179.3 | -166.6 | -156.1 | 3.8 | 113.6 | N608 S612 | N608-R610 PolarHBondContact O-N 3.02Å; R610-S612 PolarHBondContact O-N 3.43Å |
| 611 | T | 27.5 | Very low | 27.3 | Very low | 143 Ų | 143 | 141.6 Ų | 141.6 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | | | trans | -70 | 94.9 | 164.7 | 38 | 0 | 0 | 0 | 0 | 110.1 | | |
| 612 | S | 26.9 | Very low | 27.2 | Very low | 109 Ų | 109 | 138.5 Ų | 138.5 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | | | trans | -67.8 | 134.1 | 169.7 | 52.3 | 0 | 0 | 0 | 0 | 110.9 | R610 G614 | R610-S612 PolarHBondContact O-N 3.43Å; S612-G614 PolarHBondContact O-N 3.29Å; S612-G614 VanDerWaalsContact O-N 3.14Å |
| 613 | I | 25 | Very low | 27.1 | Very low | 168 Ų | 168 | 139 Ų | 139 | 86% | 0.862 | 79% | 0.787 | S | S | * | * | | | trans | -69.5 | 105.5 | 178.3 | -61.9 | 165.2 | 0 | 0 | 0 | 109.1 | | |
| 614 | G | 27 | Very low | 26.8 | Very low | 71 Ų | 71 | 141.2 Ų | 141.2 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | | | trans | -98.7 | 113.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | S612 D616 | S612-G614 PolarHBondContact O-N 3.29Å; S612-G614 VanDerWaalsContact O-N 3.14Å; G614-D616 PolarHBondContact O-N 3.19Å |
| 615 | S | 26.1 | Very low | 26.7 | Very low | 98 Ų | 98 | 141.7 Ų | 141.7 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | | | trans | -99 | 82.2 | -171 | 56.2 | 0 | 0 | 0 | 0 | 112.5 | Q617 | S615-Q617 PolarHBondContact O-N 3.07Š|
| 616 | D | 31 | Very low | 26.4 | Very low | 166 Ų | 166 | 138.9 Ų | 138.9 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | | | trans | -90.8 | 103.1 | 172.8 | -76.1 | -28.9 | 0 | 0 | 0 | 111.6 | G614 | G614-D616 PolarHBondContact O-N 3.19Š|
| 617 | Q | 26.1 | Very low | 26.4 | Very low | 189 Ų | 189 | 137.1 Ų | 137.1 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | | | trans | -77 | 119.9 | 170 | -61.4 | 173.2 | 4.2 | 0 | 0 | 109.7 | S615 | S615-Q617 PolarHBondContact O-N 3.07Š|
| 618 | S | 27.5 | Very low | 26.3 | Very low | 104 Ų | 104 | 139.9 Ų | 139.9 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | | | trans | -149.6 | 107.5 | 153.2 | 51.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 619 | I | 27.3 | Very low | 26.5 | Very low | 158 Ų | 158 | 139.3 Ų | 139.3 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | | | trans | 54.5 | 102.6 | 136.1 | -52.3 | 173.6 | 0 | 0 | 0 | 117.2 | | |
| 620 | I | 22 | Very low | 26.3 | Very low | 150 Ų | 150 | 140.6 Ų | 140.6 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | | | trans | -77.1 | 132 | 159.7 | -63.8 | 159.8 | 0 | 0 | 0 | 109.5 | | |
| 621 | P | 28 | Very low | 26.3 | Very low | 121 Ų | 121 | 137.1 Ų | 137.1 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | | | trans | -100.5 | 128.1 | 148.1 | 12.8 | 5.7 | 0 | 0 | 0 | 110.1 | | |
| 622 | T | 23.6 | Very low | 26.3 | Very low | 121 Ų | 121 | 136.2 Ų | 136.2 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | | | trans | -82.8 | -177.6 | 177.3 | -46.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 623 | E | 26.2 | Very low | 26.2 | Very low | 161 Ų | 161 | 135.4 Ų | 135.4 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | | | trans | 87.5 | 138.2 | 172.5 | -53 | -172.3 | -158.1 | 0 | 0 | 116.3 | | |
| 624 | Q | 26.4 | Very low | 26.3 | Very low | 159 Ų | 159 | 136.3 Ų | 136.3 | 74% | 0.743 | 80% | 0.798 | S | S | * | * | | | cis | -154.9 | 140.2 | -7.5 | -119.4 | -178.2 | 55.3 | 0 | 0 | 109.4 | | |
| 625 | P | 24.6 | Very low | 26.5 | Very low | 135 Ų | 135 | 140.8 Ų | 140.8 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | | | trans | -95.4 | 107.1 | 176.4 | 34 | -29.8 | 0 | 0 | 0 | 112.4 | | |
| 626 | G | 24 | Very low | 26.5 | Very low | 83 Ų | 83 | 145.5 Ų | 145.5 | 86% | 0.856 | 81% | 0.813 | S | S | * | * | | | trans | -147 | 115.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 627 | G | 28.2 | Very low | 26.3 | Very low | 70 Ų | 70 | 146.3 Ų | 146.3 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | | | trans | 163.9 | 34.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | V629 | G627-V629 PolarHBondContact O-N 3.4Š|
| 628 | K | 26.2 | Very low | 26.2 | Very low | 217 Ų | 217 | 147.8 Ų | 147.8 | 94% | 0.943 | 81% | 0.809 | S | S | * | * | | | trans | -73.2 | 89.7 | 169.1 | -75.5 | -178.8 | 178.6 | 174.7 | 0 | 109.9 | | |
| 629 | V | 29.7 | Very low | 26.2 | Very low | 142 Ų | 142 | 150.5 Ų | 150.5 | 86% | 0.861 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 132.1 | 169.2 | 179.8 | 0 | 0 | 0 | 0 | 109.9 | G627 | G627-V629 PolarHBondContact O-N 3.4Š|
| 630 | L | 25.1 | Very low | 26.1 | Very low | 152 Ų | 152 | 149.9 Ų | 149.9 | 80% | 0.796 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 161 | -167.2 | -155.4 | 72.2 | 0 | 0 | 0 | 113.1 | S632 | L630-S632 PolarHBondContact O-N 2.88Š|
| 631 | L | 23.7 | Very low | 26.2 | Very low | 162 Ų | 162 | 152.7 Ų | 152.7 | 85% | 0.848 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 129 | 177.8 | -66.5 | 73.5 | 0 | 0 | 0 | 112.1 | | |
| 632 | S | 28 | Very low | 26.2 | Very low | 125 Ų | 125 | 153 Ų | 153 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | | | trans | -106.9 | 137.2 | 153.1 | -172.8 | 0 | 0 | 0 | 0 | 109.4 | L630 | L630-S632 PolarHBondContact O-N 2.88Š|
| 633 | S | 23.9 | Very low | 26.2 | Very low | 92 Ų | 92 | 153.7 Ų | 153.7 | 64% | 0.643 | 82% | 0.817 | S | S | * | * | | | trans | -123.2 | 165.5 | -172.7 | 58 | 0 | 0 | 0 | 0 | 110.8 | | |
| 634 | K | 27.8 | Very low | 26.3 | Very low | 187 Ų | 187 | 152 Ų | 152 | 81% | 0.813 | 82% | 0.818 | S | S | * | * | | | trans | 81.7 | 102 | 179.8 | -49.3 | 164.5 | -176.6 | 173.4 | 0 | 114.9 | | |
| 635 | N | 30.9 | Very low | 26.4 | Very low | 165 Ų | 165 | 151.7 Ų | 151.7 | 88% | 0.882 | 82% | 0.821 | S | S | * | * | | | | -149.6 | 103.9 | 114.2 | -101.3 | -28.8 | 0 | 0 | 0 | 110.7 | | |
| 636 | K | 26.1 | Very low | 26.4 | Very low | 197 Ų | 197 | 149.2 Ų | 149.2 | 86% | 0.857 | 82% | 0.82 | S | S | * | * | | | trans | -90.4 | 103.6 | 172.4 | -74.4 | 177.7 | 176.5 | 175.3 | 0 | 108.5 | | |
| 637 | H | 27.8 | Very low | 26.7 | Very low | 183 Ų | 183 | 152.8 Ų | 152.8 | 85% | 0.847 | 82% | 0.818 | S | S | * | * | | | trans | -118.7 | 104 | 158.4 | -89.9 | 11.9 | 0 | 0 | 0 | 109.9 | | |
| 638 | R | 23.3 | Very low | 26.8 | Very low | 220 Ų | 220 | 157.2 Ų | 157.2 | 83% | 0.83 | 83% | 0.825 | S | S | * | * | | | trans | -103.6 | 104.2 | 179.8 | 175 | -170.4 | -171.5 | 175.6 | 4.6 | 106.6 | | |
| 639 | I | 27.3 | Very low | 27 | Very low | 160 Ų | 160 | 152 Ų | 152 | 82% | 0.821 | 82% | 0.816 | S | S | * | * | | | trans | -121.3 | 143.9 | 169.9 | -62.8 | 179.8 | 0 | 0 | 0 | 108.2 | | |
| 640 | H | 26.4 | Very low | 26.8 | Very low | 145 Ų | 145 | 151.9 Ų | 151.9 | 67% | 0.671 | 81% | 0.811 | S | S | * | * | | | trans | -76.5 | 141.7 | -155 | -81.2 | -117.9 | 0 | 0 | 0 | 114.5 | T642 | H640-T642 PolarHBondContact O-N 3.41Š|
| 641 | K | 23.6 | Very low | 27.2 | Very low | 210 Ų | 210 | 150.4 Ų | 150.4 | 91% | 0.913 | 81% | 0.808 | S | S | * | * | | | trans | -58.2 | 121.8 | 150.5 | -76.7 | -178.4 | 174.3 | -179.4 | 0 | 108.4 | | |
| 642 | T | 27.1 | Very low | 27.6 | Very low | 127 Ų | 127 | 149 Ų | 149 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | | | trans | -120.6 | 118.7 | 162.7 | 14.7 | 0 | 0 | 0 | 0 | 108.8 | H640 | H640-T642 PolarHBondContact O-N 3.41Š|
| 643 | T | 24.4 | Very low | 27.7 | Very low | 136 Ų | 136 | 148.8 Ų | 148.8 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | | | trans | -88.1 | 117.8 | 171.8 | 43.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 644 | T | 28.2 | Very low | 27.9 | Very low | 125 Ų | 125 | 155.5 Ų | 155.5 | 77% | 0.767 | 81% | 0.811 | S | S | * | * | | | trans | -149.4 | 108.4 | 164.2 | 12.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 645 | N | 28.2 | Very low | 27.9 | Very low | 152 Ų | 152 | 156 Ų | 156 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | | | trans | 12.9 | 125.3 | 154.2 | -54.1 | -11.2 | 0 | 0 | 0 | 118.6 | | |
| 646 | G | 24.2 | Very low | 27.9 | Very low | 83 Ų | 83 | 156.1 Ų | 156.1 | 86% | 0.856 | 81% | 0.813 | S | S | * | * | | | trans | -64.7 | 142 | 159.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 647 | I | 31.8 | Very low | 28 | Very low | 159 Ų | 159 | 154 Ų | 154 | 82% | 0.815 | 81% | 0.811 | S | S | * | * | | | trans | -131.3 | 136.6 | 167.3 | -67.3 | 177.7 | 0 | 0 | 0 | 106.2 | S649 | I647-S649 PolarHBondContact O-N 2.96Š|
| 648 | D | 29.1 | Very low | 27.8 | Very low | 162 Ų | 162 | 151.4 Ų | 151.4 | 87% | 0.866 | 81% | 0.812 | S | S | * | * | | | trans | -63.3 | 123.1 | -170.9 | -58 | -73.7 | 0 | 0 | 0 | 113.2 | N650 | D648-N650 PolarHBondContact O-N 3.06Š|
| 649 | S | 29.9 | Very low | 27.9 | Very low | 108 Ų | 108 | 146.6 Ų | 146.6 | 76% | 0.755 | 81% | 0.812 | S | S | * | * | | | trans | -82.6 | 96 | 171.4 | 59.7 | 0 | 0 | 0 | 0 | 110.5 | I647 V651 | I647-S649 PolarHBondContact O-N 2.96Å; S649-V651 PolarHBondContact O-N 3.13Å |
| 650 | N | 26.8 | Very low | 27.8 | Very low | 140 Ų | 140 | 144.9 Ų | 144.9 | 75% | 0.749 | 81% | 0.814 | S | S | * | * | | | trans | -60.5 | 127.3 | 166.4 | -176.6 | 20.6 | 0 | 0 | 0 | 110.2 | D648 | D648-N650 PolarHBondContact O-N 3.06Š|
| 651 | V | 32.7 | Very low | 27.7 | Very low | 121 Ų | 121 | 147.5 Ų | 147.5 | 73% | 0.733 | 83% | 0.827 | S | S | * | * | | | trans | -112.2 | 103.6 | -180 | 179 | 0 | 0 | 0 | 0 | 110 | S649 S653 | S649-V651 PolarHBondContact O-N 3.13Å; V651-S653 PolarHBondContact O-N 3.48Å |
| 652 | D | 31.3 | Very low | 27.7 | Very low | 133 Ų | 133 | 143.1 Ų | 143.1 | 71% | 0.711 | 82% | 0.822 | S | S | * | * | | | trans | -59 | 123.6 | 178.2 | -82.5 | -53.4 | 0 | 0 | 0 | 113 | | |
| 653 | S | 30.6 | Very low | 27.8 | Very low | 120 Ų | 120 | 143 Ų | 143 | 84% | 0.839 | 83% | 0.827 | S | S | * | * | | | trans | -89.2 | 111.7 | 167.7 | 37.2 | 0 | 0 | 0 | 0 | 109.9 | V651 K655 | V651-S653 PolarHBondContact O-N 3.48Å; S653-K655 PolarHBondContact O-N 3.32Å |
| 654 | R | 29.3 | Very low | 27.9 | Very low | 233 Ų | 233 | 141.6 Ų | 141.6 | 88% | 0.879 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 123.5 | -170.3 | -73.1 | 172.4 | -114 | 178.7 | -3.4 | 112.7 | | |
| 655 | K | 26.8 | Very low | 27.9 | Very low | 198 Ų | 198 | 145.5 Ų | 145.5 | 86% | 0.861 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 132.1 | 161.2 | -89.9 | 174 | 171.2 | 171.6 | 0 | 110.2 | S653 | S653-K655 PolarHBondContact O-N 3.32Š|
| 656 | L | 30.6 | Very low | 27.8 | Very low | 167 Ų | 167 | 143.8 Ų | 143.8 | 87% | 0.874 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 126.2 | 163.9 | -74.2 | 172.8 | 0 | 0 | 0 | 109.5 | | |
| 657 | N | 27.9 | Very low | 27.9 | Very low | 153 Ų | 153 | 145.6 Ų | 145.6 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 131.5 | 179.7 | -70.1 | -29.3 | 0 | 0 | 0 | 110.7 | | |
| 658 | C | 24.3 | Very low | 27.5 | Very low | 128 Ų | 128 | 142.6 Ų | 142.6 | 87% | 0.865 | 82% | 0.819 | S | S | * | * | | | trans | -110.7 | 108.2 | 158.9 | -71.5 | 0 | 0 | 0 | 0 | 107.8 | | |
| 659 | S | 25.4 | Very low | 27.3 | Very low | 118 Ų | 118 | 145 Ų | 145 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | | | trans | -72 | 131.1 | -176.7 | 50.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 660 | S | 24.9 | Very low | 27.2 | Very low | 125 Ų | 125 | 146.6 Ų | 146.6 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | | | trans | -68.6 | 139.7 | 173.1 | -44.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 661 | Q | 25.3 | Very low | 27 | Very low | 199 Ų | 199 | 145.5 Ų | 145.5 | 93% | 0.93 | 82% | 0.819 | S | S | * | * | | | trans | -127.4 | 109.8 | 162.7 | -154.5 | 168.7 | 17.6 | 0 | 0 | 109.3 | | |
| 662 | S | 23.5 | Very low | 26.8 | Very low | 118 Ų | 118 | 149.9 Ų | 149.9 | 83% | 0.825 | 83% | 0.828 | S | S | * | * | | | trans | -81.6 | 136.3 | -179.3 | 51.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 663 | S | 28.2 | Very low | 26.5 | Very low | 124 Ų | 124 | 153 Ų | 153 | 87% | 0.867 | 84% | 0.836 | S | S | * | * | | | trans | -141.6 | 134.3 | 151 | 68.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 664 | S | 26.2 | Very low | 26.5 | Very low | 107 Ų | 107 | 157.6 Ų | 157.6 | 75% | 0.748 | 84% | 0.84 | S | S | * | * | | | trans | -95.1 | 142.1 | -177.4 | 53.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 665 | K | 29.6 | Very low | 26.2 | Very low | 207 Ų | 207 | 151.9 Ų | 151.9 | 90% | 0.9 | 84% | 0.836 | S | S | * | * | | | trans | -172 | 118.3 | 137.5 | -107.2 | 156.2 | -179.6 | 176.6 | 0 | 111.7 | | |
| 666 | S | 24.9 | Very low | 26.4 | Very low | 117 Ų | 117 | 150.7 Ų | 150.7 | 82% | 0.818 | 84% | 0.838 | S | S | * | * | | | trans | -96.6 | 141.8 | 164.2 | 43.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 667 | P | 28 | Very low | 26.2 | Very low | 120 Ų | 120 | 151.1 Ų | 151.1 | 78% | 0.779 | 84% | 0.836 | S | S | * | * | | | trans | -120.3 | 119.2 | 157.2 | 30.5 | -17 | 0 | 0 | 0 | 110.7 | | |
| 668 | S | 21.8 | Very low | 25.9 | Very low | 97 Ų | 97 | 153.4 Ų | 153.4 | 68% | 0.678 | 84% | 0.838 | S | S | * | * | | | trans | -77.4 | 143.1 | 169.5 | 55.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 669 | F | 26.6 | Very low | 26 | Very low | 213 Ų | 213 | 152.3 Ų | 152.3 | 93% | 0.934 | 83% | 0.832 | S | S | * | * | | | trans | -129.8 | 148.6 | 155.6 | -101.8 | -80.4 | 0 | 0 | 0 | 112.4 | | |
| 670 | I | 26.7 | Very low | 25.9 | Very low | 141 Ų | 141 | 152.5 Ų | 152.5 | 72% | 0.723 | 83% | 0.828 | S | S | * | * | | | trans | -110.2 | 149.8 | -151.3 | -73.4 | 170.8 | 0 | 0 | 0 | 112.1 | | |
| 671 | T | 22.6 | Very low | 26 | Very low | 117 Ų | 117 | 153.9 Ų | 153.9 | 72% | 0.718 | 83% | 0.826 | S | S | * | * | | | trans | -29.1 | 142.2 | 172.9 | 56.9 | 0 | 0 | 0 | 0 | 117.7 | | |
| 672 | K | 28.7 | Very low | 25.9 | Very low | 213 Ų | 213 | 149.5 Ų | 149.5 | 93% | 0.926 | 82% | 0.818 | S | S | * | * | | | trans | -133.4 | 138.1 | 138.8 | -85.6 | -168.1 | 177.2 | 176.1 | 0 | 112.1 | | |
| 673 | K | 24.1 | Very low | 26.3 | Very low | 199 Ų | 199 | 150.2 Ų | 150.2 | 87% | 0.865 | 82% | 0.819 | S | S | * | * | | | trans | -80.7 | 144 | -175.6 | -58.6 | 167 | 179.2 | 174.8 | 0 | 110.7 | | |
| 674 | K | 30.5 | Very low | 26.2 | Very low | 216 Ų | 216 | 147.7 Ų | 147.7 | 94% | 0.939 | 81% | 0.813 | S | S | * | * | | | trans | -133.8 | 116.5 | 149.9 | -82.4 | -169.5 | 175.6 | -176.5 | 0 | 108.9 | | |
| 675 | S | 24.1 | Very low | 26.2 | Very low | 113 Ų | 113 | 151 Ų | 151 | 79% | 0.79 | 82% | 0.821 | S | S | * | * | | | trans | -91.7 | 141.2 | 173 | 51.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 676 | L | 29.8 | Very low | 26 | Very low | 173 Ų | 173 | 149.3 Ų | 149.3 | 91% | 0.906 | 82% | 0.819 | S | S | * | * | | | trans | -133.9 | 148 | 161.7 | -144.2 | 75.1 | 0 | 0 | 0 | 110.3 | | |
| 677 | Q | 27.9 | Very low | 26 | Very low | 176 Ų | 176 | 154.7 Ų | 154.7 | 82% | 0.822 | 82% | 0.821 | S | S | * | * | | | trans | -70.9 | 134.4 | -170.4 | -71.8 | 143.5 | -39.2 | 0 | 0 | 111.9 | | |
| 678 | K | 21.7 | Very low | 26.1 | Very low | 200 Ų | 200 | 157.8 Ų | 157.8 | 87% | 0.87 | 82% | 0.823 | S | S | * | * | | | | 51.7 | 104.3 | 91.6 | -76.7 | -168 | 176.9 | -174.9 | 0 | 116.6 | | |
| 679 | S | 24.8 | Very low | 26.3 | Very low | 106 Ų | 106 | 157.9 Ų | 157.9 | 74% | 0.741 | 82% | 0.82 | S | S | * | * | | | trans | 173.5 | 114.1 | 132.6 | 52.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 680 | T | 24.8 | Very low | 26.3 | Very low | 121 Ų | 121 | 157.7 Ų | 157.7 | 74% | 0.742 | 82% | 0.818 | S | S | * | * | | | | 54.4 | 119.1 | 83.6 | 60.2 | 0 | 0 | 0 | 0 | 113.7 | | |
| 681 | N | 26.2 | Very low | 26.4 | Very low | 154 Ų | 154 | 161.3 Ų | 161.3 | 82% | 0.824 | 82% | 0.823 | S | S | * | * | | | cis | -140.2 | -166.5 | 4 | -69.4 | -42.9 | 0 | 0 | 0 | 109.1 | | |
| 682 | S | 23.9 | Very low | 26.8 | Very low | 108 Ų | 108 | 160.6 Ų | 160.6 | 76% | 0.755 | 82% | 0.823 | S | S | * | * | | | cis | -151.9 | -177.8 | 8.5 | 67.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 683 | P | 31.5 | Very low | 26.8 | Very low | 132 Ų | 132 | 156.4 Ų | 156.4 | 86% | 0.857 | 82% | 0.82 | S | S | * | * | | | trans | -99.8 | 145.9 | -166 | 37.2 | -33.6 | 0 | 0 | 0 | 116.4 | | |
| 684 | G | 25.9 | Very low | 26.9 | Very low | 72 Ų | 72 | 153.6 Ų | 153.6 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | | | trans | -149.1 | 124.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 685 | L | 26.5 | Very low | 26.8 | Very low | 175 Ų | 175 | 152 Ų | 152 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | | | trans | 51.6 | 107.9 | 172.2 | -95 | 67.8 | 0 | 0 | 0 | 119.4 | R687 | L685-R687 PolarHBondContact O-N 2.98Š|
| 686 | M | 24.5 | Very low | 26.9 | Very low | 172 Ų | 172 | 151.6 Ų | 151.6 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | | | trans | -60.6 | 122.5 | 160.3 | -71.1 | 177 | 168.6 | 0 | 0 | 111.5 | F688 | M686-F688 HydrophobicContact SD-CE2 4.41Š|
| 687 | R | 25.9 | Very low | 26.6 | Very low | 230 Ų | 230 | 151.5 Ų | 151.5 | 87% | 0.868 | 81% | 0.806 | S | S | * | * | | | trans | -114.7 | 96.4 | 164.9 | -158.7 | 177.7 | -162.3 | 174.3 | 6.2 | 109.8 | L685 T689 | L685-R687 PolarHBondContact O-N 2.98Å; R687-T689 PolarHBondContact O-N 3.41Å; R687-T689 PolarHBondContact O-OG1 3.37Å |
| 688 | F | 28.9 | Very low | 26.4 | Very low | 186 Ų | 186 | 150 Ų | 150 | 82% | 0.816 | 81% | 0.809 | S | S | * | * | | | trans | -60.1 | 97.1 | 175.6 | -90.3 | -77.4 | 0 | 0 | 0 | 110.7 | M686 | M686-F688 HydrophobicContact SD-CE2 4.41Š|
| 689 | T | 26.6 | Very low | 26.6 | Very low | 99 Ų | 99 | 145 Ų | 145 | 61% | 0.607 | 80% | 0.799 | S | S | * | * | | | trans | -101.7 | 80.7 | -178.9 | -52.6 | 0 | 0 | 0 | 0 | 108.5 | R687 R691 | R687-T689 PolarHBondContact O-N 3.41Å; R687-T689 PolarHBondContact O-OG1 3.37Å; T689-R691 VanDerWaalsContact C-N 3.33Å; T689-R691 HydrophobicContact CG2-CG 4.33Å; T689-R691 PolarHBondContact O-N 3.26Å |
| 690 | K | 26.9 | Very low | 26.6 | Very low | 208 Ų | 208 | 147.5 Ų | 147.5 | 90% | 0.904 | 80% | 0.803 | S | S | * | * | | | trans | -71.2 | 88.9 | 171.9 | -83.1 | -172.8 | 174.5 | -179.5 | 0 | 109.8 | | |
| 691 | R | 27.7 | Very low | 26.7 | Very low | 217 Ų | 217 | 149.5 Ų | 149.5 | 82% | 0.819 | 81% | 0.807 | S | S | * | * | | | trans | -85.7 | 147.3 | 165.1 | -90 | 179.7 | 169.2 | 173.3 | -3.3 | 110.7 | T689 | T689-R691 VanDerWaalsContact C-N 3.33Å; T689-R691 HydrophobicContact CG2-CG 4.33Å; T689-R691 PolarHBondContact O-N 3.26Å |
| 692 | S | 31.3 | Very low | 26.6 | Very low | 103 Ų | 103 | 150.2 Ų | 150.2 | 72% | 0.72 | 81% | 0.81 | S | S | * | * | | | trans | 54.5 | 104.8 | 156 | 57.9 | 0 | 0 | 0 | 0 | 119.6 | | |
| 693 | S | 28.5 | Very low | 26.6 | Very low | 125 Ų | 125 | 150.6 Ų | 150.6 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | | | trans | -131.8 | 95.6 | 131.9 | 61.1 | 0 | 0 | 0 | 0 | 108.3 | | |
| 694 | I | 26.5 | Very low | 26.3 | Very low | 139 Ų | 139 | 150.5 Ų | 150.5 | 71% | 0.713 | 82% | 0.815 | S | S | * | * | | | trans | -89.7 | 130.6 | 178.1 | -73.3 | 173.3 | 0 | 0 | 0 | 108.5 | | |
| 695 | Q | 28.6 | Very low | 26.2 | Very low | 182 Ų | 182 | 152.1 Ų | 152.1 | 85% | 0.85 | 82% | 0.815 | S | S | * | * | | | trans | 38.6 | 102.9 | 157.5 | -62.3 | 165.2 | -29.5 | 0 | 0 | 118.3 | | |
| 696 | S | 27.2 | Very low | 26.1 | Very low | 105 Ų | 105 | 150 Ų | 150 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | | | trans | -154.7 | 91 | 148.6 | -171.7 | 0 | 0 | 0 | 0 | 110 | | |
| 697 | L | 23.8 | Very low | 26.2 | Very low | 171 Ų | 171 | 152.2 Ų | 152.2 | 90% | 0.895 | 82% | 0.815 | S | S | * | * | | | trans | -164.8 | 40.6 | 172.3 | -114.5 | 172.4 | 0 | 0 | 0 | 112.9 | | |
| 698 | T | 23.4 | Very low | 26.1 | Very low | 144 Ų | 144 | 147.9 Ų | 147.9 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -134.1 | 21 | 177.3 | -32.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 699 | S | 24.6 | Very low | 25.8 | Very low | 95 Ų | 95 | 143.9 Ų | 143.9 | 66% | 0.664 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -153.9 | 46.4 | -172.3 | 51.4 | 0 | 0 | 0 | 0 | 115.2 | | |
| 700 | I | 24.8 | Very low | 25.7 | Very low | 160 Ų | 160 | 143.5 Ų | 143.5 | 82% | 0.821 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -138.1 | 140.7 | 150.5 | -70.3 | 97.9 | 0 | 0 | 0 | 107.2 | | |
| 701 | I | 28.6 | Very low | 25.5 | Very low | 162 Ų | 162 | 143.1 Ų | 143.1 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | S | Bend | trans | 94.2 | 61.2 | -169.6 | -49.7 | 163 | 0 | 0 | 0 | 113.3 | | |
| 702 | L | 23.2 | Very low | 25.6 | Very low | 170 Ų | 170 | 142.6 Ų | 142.6 | 89% | 0.89 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -156.7 | 47.4 | 156 | -121.5 | 166.7 | 0 | 0 | 0 | 109.6 | | |
| 703 | S | 24.4 | Very low | 25.2 | Very low | 116 Ų | 116 | 142.6 Ų | 142.6 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | | | trans | -164.4 | 92.7 | 179.2 | -74.9 | 0 | 0 | 0 | 0 | 111.3 | | |
| 704 | S | 24.3 | Very low | 25 | Very low | 129 Ų | 129 | 144.7 Ų | 144.7 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | | | trans | -173 | 84.7 | 154.4 | -83.1 | 0 | 0 | 0 | 0 | 108.7 | | |
| 705 | S | 23.7 | Very low | 25.1 | Very low | 107 Ų | 107 | 142.9 Ų | 142.9 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | | | trans | -80.1 | 133.7 | 175.2 | 49.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 706 | T | 24.1 | Very low | 25.1 | Very low | 130 Ų | 130 | 141.5 Ų | 141.5 | 80% | 0.798 | 81% | 0.812 | S | S | * | * | | | trans | 37.3 | 100.3 | 148.6 | 56.1 | 0 | 0 | 0 | 0 | 117.8 | | |
| 707 | F | 26.7 | Very low | 25.1 | Very low | 219 Ų | 219 | 145.6 Ų | 145.6 | 96% | 0.961 | 82% | 0.816 | S | S | * | * | | | trans | -109 | 142.2 | 147.1 | -138.2 | -97.5 | 0 | 0 | 0 | 109.4 | | |
| 708 | N | 24.3 | Very low | 25.4 | Very low | 139 Ų | 139 | 146.8 Ų | 146.8 | 74% | 0.743 | 82% | 0.818 | S | S | * | * | | | trans | -124.8 | 167.5 | -163 | -164.4 | 0.3 | 0 | 0 | 0 | 110 | | |
| 709 | S | 23.1 | Very low | 25.4 | Very low | 101 Ų | 101 | 145 Ų | 145 | 71% | 0.706 | 81% | 0.811 | S | S | * | * | | | trans | 69.6 | 156.8 | 178.2 | 88 | 0 | 0 | 0 | 0 | 115.6 | | |
| 710 | S | 23.5 | Very low | 25.3 | Very low | 92 Ų | 92 | 145.7 Ų | 145.7 | 64% | 0.643 | 81% | 0.814 | S | S | * | * | | | cis | -167.8 | 157 | -30 | 56.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 711 | K | 22.6 | Very low | 25.4 | Very low | 199 Ų | 199 | 147.1 Ų | 147.1 | 87% | 0.865 | 82% | 0.818 | S | S | * | * | | | trans | 45 | 106.9 | 152.9 | -62.9 | 171.1 | -177.5 | 179.8 | 0 | 118 | | |
| 712 | Q | 30.5 | Very low | 25.3 | Very low | 207 Ų | 207 | 144.4 Ų | 144.4 | 97% | 0.967 | 81% | 0.808 | S | S | * | * | | | | -147.2 | 136.4 | 123.7 | -119.3 | 174.8 | 16.4 | 0 | 0 | 111.7 | | |
| 713 | S | 22.8 | Very low | 25.5 | Very low | 103 Ų | 103 | 144.6 Ų | 144.6 | 72% | 0.72 | 81% | 0.809 | S | S | * | * | | | trans | -112.1 | 148.2 | -176.2 | 52.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 714 | L | 24.6 | Very low | 25.4 | Very low | 168 Ų | 168 | 146.9 Ų | 146.9 | 88% | 0.88 | 81% | 0.807 | S | S | * | * | | | | -160.6 | 150.5 | 127.9 | -126.3 | 76.4 | 0 | 0 | 0 | 109.7 | | |
| 715 | P | 29.5 | Very low | 25.6 | Very low | 101 Ų | 101 | 149.2 Ų | 149.2 | 66% | 0.656 | 80% | 0.804 | S | S | * | * | | | trans | -106 | 158.1 | -167.2 | 39 | -31.6 | 0 | 0 | 0 | 114 | | |
| 716 | V | 28.1 | Very low | 25.8 | Very low | 153 Ų | 153 | 150.7 Ų | 150.7 | 93% | 0.927 | 80% | 0.803 | S | S | * | * | | | trans | -114.1 | 121 | 151.9 | 177.8 | 0 | 0 | 0 | 0 | 107.5 | | |
| 717 | K | 26.5 | Very low | 25.7 | Very low | 191 Ų | 191 | 151.5 Ų | 151.5 | 83% | 0.83 | 80% | 0.802 | S | S | * | * | | | trans | -88 | 138.1 | 177.2 | -67.5 | 176.4 | 175.8 | 178.7 | 0 | 109.9 | | |
| 718 | Q | 30 | Very low | 25.7 | Very low | 197 Ų | 197 | 147.2 Ų | 147.2 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | | | trans | -144.7 | 138.6 | 142.7 | -112.7 | 170.8 | -4 | 0 | 0 | 109.5 | | |
| 719 | S | 24.7 | Very low | 25.8 | Very low | 107 Ų | 107 | 148.7 Ų | 148.7 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | | | trans | -58.9 | 140.6 | 176.9 | 38.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 720 | C | 20.5 | Very low | 25.8 | Very low | 108 Ų | 108 | 153.3 Ų | 153.3 | 73% | 0.73 | 79% | 0.792 | S | S | * | * | | | cis | 66.1 | 87.2 | 44.6 | -158.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 721 | E | 28.5 | Very low | 26.2 | Very low | 191 Ų | 191 | 155.7 Ų | 155.7 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | | | trans | -125.2 | 133.8 | 147.5 | -76.3 | -165.5 | 152.3 | 0 | 0 | 108.7 | | |
| 722 | V | 25.2 | Very low | 26.1 | Very low | 105 Ų | 105 | 152 Ų | 152 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | | | trans | -120.6 | 112.6 | -179.8 | 170.7 | 0 | 0 | 0 | 0 | 107.1 | Q724 | V722-Q724 HydrophobicContact CG1-CG 3.97Š|
| 723 | L | 28.3 | Very low | 26 | Very low | 174 Ų | 174 | 151 Ų | 151 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | | | trans | -105.9 | 92.9 | 165.6 | -72.1 | 177.7 | 0 | 0 | 0 | 109.3 | | |
| 724 | Q | 22.6 | Very low | 26.1 | Very low | 164 Ų | 164 | 154.6 Ų | 154.6 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | | | trans | -77.4 | 136.3 | 158.2 | -70.2 | 171.5 | -22.4 | 0 | 0 | 108.8 | V722 | V722-Q724 HydrophobicContact CG1-CG 3.97Š|
| 725 | Q | 28.1 | Very low | 26.2 | Very low | 177 Ų | 177 | 152.1 Ų | 152.1 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | | | trans | -172.4 | 137.2 | 140.1 | -105.6 | 163.7 | 38.1 | 0 | 0 | 112.7 | | |
| 726 | N | 27.3 | Very low | 26.1 | Very low | 139 Ų | 139 | 151.2 Ų | 151.2 | 74% | 0.743 | 80% | 0.8 | S | S | * | * | | | trans | 45.9 | 114.1 | 150.6 | -56.7 | -31.6 | 0 | 0 | 0 | 118.3 | | |
| 727 | L | 23.4 | Very low | 26 | Very low | 146 Ų | 146 | 149.8 Ų | 149.8 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | | | cis | 53.6 | 86.3 | 39.9 | -104.7 | 173.4 | 0 | 0 | 0 | 113.5 | | |
| 728 | N | 26.2 | Very low | 26.3 | Very low | 130 Ų | 130 | 148.6 Ų | 148.6 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | | | | 157.3 | 135.8 | 117.9 | -86.5 | -57.5 | 0 | 0 | 0 | 116.5 | | |
| 729 | K | 25.2 | Very low | 26.1 | Very low | 170 Ų | 170 | 145.2 Ų | 145.2 | 74% | 0.739 | 78% | 0.776 | S | S | * | * | | | trans | 73.3 | 123.8 | 134.9 | -73.4 | -170.6 | 175.7 | -178.6 | 0 | 123.5 | | |
| 730 | Y | 22.8 | Very low | 26.1 | Very low | 197 Ų | 197 | 146.9 Ų | 146.9 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | | | trans | 58.7 | 121.1 | 141.4 | -72.1 | -111.1 | 0 | 0 | 0 | 119.9 | | |
| 731 | N | 32 | Very low | 26.6 | Very low | 142 Ų | 142 | 148.8 Ų | 148.8 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | | | | -166.3 | 134.8 | 105.1 | -91.5 | -21.3 | 0 | 0 | 0 | 111.2 | | |
| 732 | C | 20.4 | Very low | 26.6 | Very low | 121 Ų | 121 | 148.3 Ų | 148.3 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | trans | -80.7 | 143.5 | 163.1 | -64.9 | 0 | 0 | 0 | 0 | 108.7 | | |
| 733 | F | 29 | Very low | 26.6 | Very low | 186 Ų | 186 | 152.2 Ų | 152.2 | 82% | 0.816 | 79% | 0.791 | S | S | * | * | | | trans | -125.4 | 153.9 | 159.5 | -95.9 | -76.8 | 0 | 0 | 0 | 109.7 | | |
| 734 | E | 26.2 | Very low | 26.7 | Very low | 180 Ų | 180 | 149.8 Ų | 149.8 | 84% | 0.841 | 78% | 0.784 | S | S | * | * | | | trans | -86.1 | 151.4 | -145.1 | -64.5 | 162.1 | 120.2 | 0 | 0 | 114.8 | G736 | E734-G736 PolarHBondContact O-N 3.33Š|
| 735 | S | 26.8 | Very low | 26.9 | Very low | 115 Ų | 115 | 149.7 Ų | 149.7 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | | | trans | -74.2 | 104 | 165.9 | 52.7 | 0 | 0 | 0 | 0 | 110.4 | N737 | S735-N737 PolarHBondContact O-N 3.28Å; S735-N737 VanDerWaalsContact O-N 3.16Å |
| 736 | G | 27.3 | Very low | 27.1 | Very low | 83 Ų | 83 | 147.1 Ų | 147.1 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | | | trans | -64.8 | 109.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | E734 | E734-G736 PolarHBondContact O-N 3.33Š|
| 737 | N | 25.7 | Very low | 27 | Very low | 122 Ų | 122 | 148.4 Ų | 148.4 | 65% | 0.652 | 78% | 0.784 | S | S | * | * | | | trans | -97.2 | 115.2 | 177.8 | 175.5 | 15 | 0 | 0 | 0 | 109.9 | S735 | S735-N737 PolarHBondContact O-N 3.28Å; S735-N737 VanDerWaalsContact O-N 3.16Å |
| 738 | I | 31.8 | Very low | 27.1 | Very low | 167 Ų | 167 | 147 Ų | 147 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | | | trans | -133.4 | 123.2 | 165 | -54.4 | -178.8 | 0 | 0 | 0 | 108.7 | | |
| 739 | N | 26.2 | Very low | 27.3 | Very low | 126 Ų | 126 | 149 Ų | 149 | 67% | 0.674 | 79% | 0.79 | S | S | * | * | | | trans | -91.4 | 160.6 | -177 | -64.9 | -69.9 | 0 | 0 | 0 | 112.3 | | |
| 740 | N | 25.3 | Very low | 27.2 | Very low | 142 Ų | 142 | 147.5 Ų | 147.5 | 76% | 0.759 | 80% | 0.796 | S | S | * | * | | | trans | 72.2 | 100.4 | 140.6 | -150.9 | 12.4 | 0 | 0 | 0 | 118.8 | | |
| 741 | T | 30.5 | Very low | 27.6 | Very low | 147 Ų | 147 | 144.1 Ų | 144.1 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | | | trans | -143.8 | 146 | 144.8 | -38.4 | 0 | 0 | 0 | 0 | 110 | | |
| 742 | K | 29 | Very low | 27.4 | Very low | 182 Ų | 182 | 143.9 Ų | 143.9 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | | | trans | -79.9 | 158.5 | -159 | -64.4 | 169.1 | 179.5 | 172.5 | 0 | 113.8 | | |
| 743 | H | 24.6 | Very low | 27.7 | Very low | 186 Ų | 186 | 143.7 Ų | 143.7 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | | | trans | -64.1 | 132.3 | 166.5 | -70.7 | -94.2 | 0 | 0 | 0 | 111.5 | | |
| 744 | T | 30.8 | Very low | 27.6 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 76% | 0.761 | 79% | 0.792 | S | S | * | * | | | trans | -123.1 | 115.7 | 155.3 | -52 | 0 | 0 | 0 | 0 | 108 | V746 | T744-V746 PolarHBondContact O-N 2.99Š|
| 745 | I | 26.3 | Very low | 27.8 | Very low | 162 Ų | 162 | 144.1 Ų | 144.1 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | | | trans | -80 | 101.7 | 178.8 | -64.3 | 165.9 | 0 | 0 | 0 | 107.3 | | |
| 746 | V | 32.4 | Very low | 27.9 | Very low | 122 Ų | 122 | 146.9 Ų | 146.9 | 74% | 0.739 | 80% | 0.8 | S | S | * | * | | | trans | -86.5 | 129.3 | 171 | -179.5 | 0 | 0 | 0 | 0 | 109 | T744 C748 | T744-V746 PolarHBondContact O-N 2.99Å; V746-C748 PolarHBondContact O-N 3.32Å |
| 747 | H | 25.8 | Very low | 28 | Very low | 167 Ų | 167 | 150.8 Ų | 150.8 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | | | trans | -54.1 | 127.6 | -171.3 | -150.6 | -54.6 | 0 | 0 | 0 | 112.4 | Q749 | H747-Q749 PolarHBondContact O-N 3.44Å; H747-Q749 VanDerWaalsContact O-N 3.1Å |
| 748 | C | 25 | Very low | 28.2 | Very low | 116 Ų | 116 | 151.8 Ų | 151.8 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | | | trans | -66 | 111.3 | 170.5 | -70.6 | 0 | 0 | 0 | 0 | 109.3 | V746 | V746-C748 PolarHBondContact O-N 3.32Š|
| 749 | Q | 29.3 | Very low | 28.2 | Very low | 172 Ų | 172 | 150.5 Ų | 150.5 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | trans | -91.4 | 125.3 | 163.7 | -82.7 | -170.2 | -10.7 | 0 | 0 | 110.1 | H747 V751 | H747-Q749 PolarHBondContact O-N 3.44Å; H747-Q749 VanDerWaalsContact O-N 3.1Å; Q749-V751 VanDerWaalsContact C-N 3.35Å; Q749-V751 PolarHBondContact O-N 2.83Å |
| 750 | T | 25.1 | Very low | 28.2 | Very low | 139 Ų | 139 | 149.6 Ų | 149.6 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | | | trans | -72.1 | 80.5 | -178.2 | -48.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 751 | V | 31.1 | Very low | 28.5 | Very low | 126 Ų | 126 | 152 Ų | 152 | 76% | 0.764 | 81% | 0.813 | S | S | * | * | | | trans | -82.2 | 118.8 | 175.3 | -175.5 | 0 | 0 | 0 | 0 | 110.2 | Q749 S753 | Q749-V751 VanDerWaalsContact C-N 3.35Å; Q749-V751 PolarHBondContact O-N 2.83Å; V751-S753 PolarHBondContact O-N 3.2Å |
| 752 | N | 27.4 | Very low | 28.5 | Very low | 136 Ų | 136 | 155.9 Ų | 155.9 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | | | trans | -52.5 | 128.1 | -175.6 | -86 | -50 | 0 | 0 | 0 | 114 | H754 | N752-H754 VanDerWaalsContact C-N 3.34Å; N752-H754 PolarHBondContact O-N 3.3Å |
| 753 | S | 25.9 | Very low | 28.5 | Very low | 118 Ų | 118 | 154.6 Ų | 154.6 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | | | trans | -75.1 | 75.9 | -179.6 | 57.1 | 0 | 0 | 0 | 0 | 113.1 | V751 | V751-S753 PolarHBondContact O-N 3.2Š|
| 754 | H | 27.8 | Very low | 28.7 | Very low | 166 Ų | 166 | 154.4 Ų | 154.4 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | | | trans | -129.3 | 79.7 | 171 | -72.6 | -36 | 0 | 0 | 0 | 111.7 | N752 | N752-H754 VanDerWaalsContact C-N 3.34Å; N752-H754 PolarHBondContact O-N 3.3Å |
| 755 | K | 29.7 | Very low | 28.9 | Very low | 209 Ų | 209 | 157.9 Ų | 157.9 | 91% | 0.909 | 82% | 0.822 | S | S | * | * | | | trans | 163.1 | 85 | 152.6 | -91 | 156.3 | -175.4 | -179.9 | 0 | 110.7 | | |
| 756 | L | 27.9 | Very low | 29.2 | Very low | 173 Ų | 173 | 158.8 Ų | 158.8 | 91% | 0.906 | 82% | 0.823 | S | S | * | * | | | trans | -155.2 | 49.7 | 165.5 | -151.5 | 80.9 | 0 | 0 | 0 | 114.3 | | |
| 757 | L | 29.4 | Very low | 28.9 | Very low | 165 Ų | 165 | 160.5 Ų | 160.5 | 86% | 0.864 | 82% | 0.824 | S | S | * | * | | | trans | -145.7 | 61.6 | 169.6 | -96.2 | 177.1 | 0 | 0 | 0 | 110.7 | | |
| 758 | D | 31.4 | Very low | 29.4 | Very low | 143 Ų | 143 | 158 Ų | 158 | 77% | 0.765 | 82% | 0.817 | S | S | * | * | | | trans | -139.5 | 64.5 | 176.3 | -144.2 | 3.9 | 0 | 0 | 0 | 111.4 | | |
| 759 | T | 30.8 | Very low | 29.8 | Very low | 139 Ų | 139 | 157.7 Ų | 157.7 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -150.6 | -8.7 | 178.3 | -18.4 | 0 | 0 | 0 | 0 | 115.6 | | |
| 760 | S | 27.4 | Very low | 30.2 | Very low | 108 Ų | 108 | 153.7 Ų | 153.7 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -96.7 | 4.8 | -177.1 | 57.2 | 0 | 0 | 0 | 0 | 115.6 | | |
| 761 | K | 31 | Very low | 30.7 | Very low | 193 Ų | 193 | 151.7 Ų | 151.7 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | | | trans | -89.7 | 5.6 | -175.5 | -91.1 | -176.4 | 178.7 | 173.2 | 0 | 116.5 | | |
| 762 | R | 29.9 | Very low | 31 | Very low | 227 Ų | 227 | 151.2 Ų | 151.2 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -109.9 | 114.3 | 169.9 | -72.1 | -178.1 | 178 | 133.9 | -1 | 109.5 | | |
| 763 | N | 29.5 | Very low | 31.3 | Very low | 156 Ų | 156 | 152.5 Ų | 152.5 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | | | trans | 149.9 | 6.9 | 148.3 | -74 | -19.2 | 0 | 0 | 0 | 116.8 | K765 | N763-K765 PolarHBondContact O-N 3.42Š|
| 764 | L | 29.2 | Very low | 31.8 | Very low | 181 Ų | 181 | 151.3 Ų | 151.3 | 95% | 0.948 | 78% | 0.779 | S | S | * | * | | | trans | -81.7 | 97.9 | 155.5 | -98.4 | 79.1 | 0 | 0 | 0 | 109.5 | | |
| 765 | K | 33.7 | Very low | 31.9 | Very low | 198 Ų | 198 | 150.5 Ų | 150.5 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | | | trans | -56.4 | 141 | 165 | -76.7 | -179.3 | 174.1 | 178.4 | 0 | 109.2 | N763 M767 | N763-K765 PolarHBondContact O-N 3.42Å; K765-M767 PolarHBondContact O-N 2.91Å |
| 766 | Q | 33.1 | Very low | 31.9 | Very low | 181 Ų | 181 | 147.6 Ų | 147.6 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | | | trans | -58.6 | 110.4 | 171.3 | -68.8 | 172.6 | -3 | 0 | 0 | 109.1 | N768 | Q766-N768 PolarHBondContact O-N 3.01Š|
| 767 | M | 26.8 | Very low | 32.1 | Very low | 158 Ų | 158 | 148.7 Ų | 148.7 | 78% | 0.778 | 77% | 0.771 | S | S | * | * | | | trans | -79.8 | 111.8 | 167.3 | -163.8 | 161.1 | 174.5 | 0 | 0 | 106.4 | K765 D771 | K765-M767 PolarHBondContact O-N 2.91Å; M767-D771 WeakPolarHBondContact CE-OD2 3.4Å |
| 768 | N | 35.5 | Very low | 32.1 | Very low | 115 Ų | 115 | 145 Ų | 145 | 62% | 0.615 | 76% | 0.759 | S | S | * | * | | | trans | -58.4 | 140.7 | -171.8 | -78.6 | -37.9 | 0 | 0 | 0 | 110.9 | Q766 S770 | Q766-N768 PolarHBondContact O-N 3.01Å; N768-S770 PolarHBondContact O-N 3.48Å |
| 769 | P | 33.7 | Very low | 32 | Very low | 108 Ų | 108 | 147.5 Ų | 147.5 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 18.3 | -172.9 | 29.3 | -36.2 | 0 | 0 | 0 | 114.9 | | |
| 770 | S | 38 | Very low | 32.1 | Very low | 89 Ų | 89 | 148.4 Ų | 148.4 | 62% | 0.622 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -29.7 | 176.8 | -53 | 0 | 0 | 0 | 0 | 112.8 | N768 V772 H773 | N768-S770 PolarHBondContact O-N 3.48Å; S770-V772 VanDerWaalsContact C-N 3.26Å; S770-V772 PolarHBondContact O-N 3.01Å; S770-H773 PolarHBondContact O-N 3.48Å |
| 771 | D | 36.4 | Very low | 32.2 | Very low | 97 Ų | 97 | 150.3 Ų | 150.3 | 52% | 0.519 | 76% | 0.763 | S | S | . | * | G | 310 helix | trans | -72.4 | -16.4 | -175 | -68.8 | -23.9 | 0 | 0 | 0 | 113.9 | M767 H773 S774 | M767-D771 WeakPolarHBondContact CE-OD2 3.4Å; D771-H773 VanDerWaalsContact C-N 3.29Å; D771-H773 PolarHBondContact O-N 2.85Å; D771-S774 PolarHBondContact O-OG 3.04Å |
| 772 | V | 35.7 | Very low | 32.2 | Very low | 116 Ų | 116 | 149.7 Ų | 149.7 | 70% | 0.703 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -75.7 | -17 | 177.5 | -174.3 | 0 | 0 | 0 | 0 | 112.3 | S770 S774 | S770-V772 VanDerWaalsContact C-N 3.26Å; S770-V772 PolarHBondContact O-N 3.01Å; V772-S774 VanDerWaalsContact C-N 3.34Å; V772-S774 PolarHBondContact O-N 3.14Å |
| 773 | H | 33.8 | Very low | 32.1 | Very low | 162 Ų | 162 | 150.8 Ų | 150.8 | 75% | 0.75 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -81.9 | -5.8 | 179.5 | -88.2 | -43.2 | 0 | 0 | 0 | 115.3 | S770 D771 | S770-H773 PolarHBondContact O-N 3.48Å; D771-H773 VanDerWaalsContact C-N 3.29Å; D771-H773 PolarHBondContact O-N 2.85Å |
| 774 | S | 36.2 | Very low | 32 | Very low | 94 Ų | 94 | 153.5 Ų | 153.5 | 66% | 0.657 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -85.2 | -18.1 | 179.2 | 59.7 | 0 | 0 | 0 | 0 | 114.3 | D771 V772 | D771-S774 PolarHBondContact O-OG 3.04Å; V772-S774 VanDerWaalsContact C-N 3.34Å; V772-S774 PolarHBondContact O-N 3.14Å |
| 775 | L | 30.7 | Very low | 32 | Very low | 149 Ų | 149 | 148.8 Ų | 148.8 | 78% | 0.78 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -91 | -0.2 | -176 | -86 | 168.1 | 0 | 0 | 0 | 115.9 | | |
| 776 | N | 28.9 | Very low | 31.7 | Very low | 147 Ų | 147 | 147.4 Ų | 147.4 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -118.5 | 34.2 | -175.5 | -153.2 | 10.7 | 0 | 0 | 0 | 114 | | |
| 777 | K | 32.5 | Very low | 31.6 | Very low | 196 Ų | 196 | 143.3 Ų | 143.3 | 85% | 0.852 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -134.3 | 2.5 | 178.9 | -83.8 | -162.4 | 172.1 | -168.6 | 0 | 116.5 | | |
| 778 | S | 30.3 | Very low | 31.7 | Very low | 88 Ų | 88 | 142.6 Ų | 142.6 | 62% | 0.615 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -100 | 7.5 | -177.8 | 59.3 | 0 | 0 | 0 | 0 | 115.7 | | |
| 779 | F | 29.4 | Very low | 31.4 | Very low | 195 Ų | 195 | 144.2 Ų | 144.2 | 86% | 0.855 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -126.7 | 40 | -179 | -77.5 | -75.3 | 0 | 0 | 0 | 113.8 | | |
| 780 | I | 31.7 | Very low | 31.2 | Very low | 159 Ų | 159 | 145.5 Ų | 145.5 | 82% | 0.815 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -135.9 | 62.6 | 158 | -46.1 | 179.3 | 0 | 0 | 0 | 109.3 | | |
| 781 | D | 30.7 | Very low | 30.6 | Very low | 148 Ų | 148 | 149.1 Ų | 149.1 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -150.5 | 151.5 | 156 | -99.1 | -43.8 | 0 | 0 | 0 | 108.3 | | |
| 782 | H | 29.8 | Very low | 30.3 | Very low | 180 Ų | 180 | 152.7 Ų | 152.7 | 83% | 0.833 | 78% | 0.779 | S | S | * | * | S | Bend | trans | 69.7 | 65.6 | -170.2 | -56.6 | -79.9 | 0 | 0 | 0 | 117.5 | | |
| 783 | R | 28.5 | Very low | 30.1 | Very low | 250 Ų | 250 | 153 Ų | 153 | 94% | 0.943 | 78% | 0.781 | S | S | * | * | | | | -151 | 60.1 | 129.3 | -109.4 | 178 | -138.2 | -150.5 | 5.7 | 112 | A785 | R783-A785 PolarHBondContact O-N 3.18Š|
| 784 | K | 28.4 | Very low | 29.9 | Very low | 213 Ų | 213 | 151.6 Ų | 151.6 | 93% | 0.926 | 78% | 0.779 | S | S | * | * | | | trans | -80.2 | 101.9 | 152.8 | -87.4 | -178 | 175.5 | 174.7 | 0 | 107.9 | | |
| 785 | A | 28.6 | Very low | 29.5 | Very low | 82 Ų | 82 | 155.8 Ų | 155.8 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | | | trans | -149.1 | 79 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | R783 S787 | R783-A785 PolarHBondContact O-N 3.18Å; A785-S787 PolarHBondContact O-N 3.01Å |
| 786 | N | 27.6 | Very low | 29.5 | Very low | 168 Ų | 168 | 153.2 Ų | 153.2 | 90% | 0.898 | 78% | 0.783 | S | S | * | * | | | trans | -74.9 | 110.5 | 164.3 | -74.3 | 0.3 | 0 | 0 | 0 | 107.4 | | |
| 787 | S | 30.9 | Very low | 29.4 | Very low | 96 Ų | 96 | 154.2 Ų | 154.2 | 67% | 0.671 | 78% | 0.783 | S | S | * | * | | | trans | -135.2 | 100.7 | 159.4 | 56.8 | 0 | 0 | 0 | 0 | 107.9 | A785 I789 | A785-S787 PolarHBondContact O-N 3.01Å; S787-I789 PolarHBondContact O-N 3.46Å |
| 788 | N | 27.5 | Very low | 29.2 | Very low | 143 Ų | 143 | 153 Ų | 153 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | | | trans | -56.4 | 119 | 167.7 | -66.1 | -11.7 | 0 | 0 | 0 | 107.9 | | |
| 789 | I | 30.2 | Very low | 29.3 | Very low | 148 Ų | 148 | 153.7 Ų | 153.7 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | | | trans | -102.8 | 91.2 | 157.4 | -61.8 | -178.6 | 0 | 0 | 0 | 105.2 | S787 M791 | S787-I789 PolarHBondContact O-N 3.46Å; I789-M791 VanDerWaalsContact C-N 3.26Å; I789-M791 HydrophobicContact CG2-CG 4.05Å; I789-M791 PolarHBondContact O-N 3.35Å |
| 790 | D | 28.7 | Very low | 29.1 | Very low | 135 Ų | 135 | 154.6 Ų | 154.6 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | | | trans | -64.2 | 87 | 169.1 | -77.5 | -50.5 | 0 | 0 | 0 | 109 | K792 | D790-K792 VanDerWaalsContact C-N 3.31Å; D790-K792 PolarHBondContact O-N 3.45Å |
| 791 | M | 27 | Very low | 29 | Very low | 165 Ų | 165 | 154.6 Ų | 154.6 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | | | trans | -75.8 | 93.2 | 160.9 | -68.3 | -145.4 | -62.8 | 0 | 0 | 108 | I789 V793 | I789-M791 VanDerWaalsContact C-N 3.26Å; I789-M791 HydrophobicContact CG2-CG 4.05Å; I789-M791 PolarHBondContact O-N 3.35Å; M791-V793 PolarHBondContact O-N 2.92Å |
| 792 | K | 29.1 | Very low | 28.8 | Very low | 172 Ų | 172 | 154.8 Ų | 154.8 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | | | trans | -53.5 | 125 | 173.1 | -71.3 | -179.3 | 175.2 | -178.4 | 0 | 109.8 | D790 D794 | D790-K792 VanDerWaalsContact C-N 3.31Å; D790-K792 PolarHBondContact O-N 3.45Å; K792-D794 PolarHBondContact O-N 3.22Å; K792-D794 VanDerWaalsContact O-N 3.14Å |
| 793 | V | 30.8 | Very low | 28.7 | Very low | 123 Ų | 123 | 157.1 Ų | 157.1 | 75% | 0.745 | 78% | 0.781 | S | S | * | * | | | trans | -77.9 | 92.3 | 164.2 | 179.5 | 0 | 0 | 0 | 0 | 106.8 | M791 Q795 | M791-V793 PolarHBondContact O-N 2.92Å; V793-Q795 HydrophobicContact CG1-CG 4.15Å; V793-Q795 PolarHBondContact O-N 3.19Å |
| 794 | D | 30.6 | Very low | 28.9 | Very low | 133 Ų | 133 | 154.8 Ų | 154.8 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | | | trans | -69.7 | 93.7 | 174.1 | -78.4 | -24.9 | 0 | 0 | 0 | 109.7 | K792 S796 | K792-D794 PolarHBondContact O-N 3.22Å; K792-D794 VanDerWaalsContact O-N 3.14Å; D794-S796 PolarHBondContact O-N 3.09Å |
| 795 | Q | 28.4 | Very low | 28.9 | Very low | 181 Ų | 181 | 150.8 Ų | 150.8 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | | | trans | -76.6 | 69.4 | 170.2 | -65.1 | -174.5 | 11.2 | 0 | 0 | 110.5 | V793 | V793-Q795 HydrophobicContact CG1-CG 4.15Å; V793-Q795 PolarHBondContact O-N 3.19Å |
| 796 | S | 29.1 | Very low | 28.9 | Very low | 95 Ų | 95 | 154.1 Ų | 154.1 | 66% | 0.664 | 77% | 0.773 | S | S | * | * | | | trans | -157.2 | 75.4 | 174.4 | 63.7 | 0 | 0 | 0 | 0 | 114.5 | D794 | D794-S796 PolarHBondContact O-N 3.09Š|
| 797 | E | 27.9 | Very low | 29.1 | Very low | 169 Ų | 169 | 155.6 Ų | 155.6 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | | | trans | -156.6 | 91.9 | 138.3 | -126.2 | 172.5 | -176.3 | 0 | 0 | 113.1 | V799 | E797-V799 HydrophobicContact CB-CG2 3.95Å; E797-V799 HydrophobicContact CG-CG2 3.72Å; E797-V799 PolarHBondContact O-N 2.68Å |
| 798 | N | 27.2 | Very low | 28.8 | Very low | 171 Ų | 171 | 160.2 Ų | 160.2 | 91% | 0.914 | 78% | 0.782 | S | S | * | * | | | trans | -70.8 | 77.5 | 157.3 | -82.2 | -39.6 | 0 | 0 | 0 | 108.1 | R800 | N798-R800 VanDerWaalsContact C-N 3.25Å; N798-R800 PolarHBondContact O-N 3.23Å |
| 799 | V | 32.1 | Very low | 28.7 | Very low | 101 Ų | 101 | 161.3 Ų | 161.3 | 61% | 0.612 | 79% | 0.788 | S | S | * | * | | | trans | -68.6 | 92 | 172.3 | -178.3 | 0 | 0 | 0 | 0 | 108.4 | E797 I801 | E797-V799 HydrophobicContact CB-CG2 3.95Å; E797-V799 HydrophobicContact CG-CG2 3.72Å; E797-V799 PolarHBondContact O-N 2.68Å; V799-I801 PolarHBondContact O-N 3.42Å |
| 800 | R | 25.8 | Very low | 28.5 | Very low | 215 Ų | 215 | 159.6 Ų | 159.6 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | | | trans | -58.1 | 91 | 173.3 | -175.8 | -171.4 | -161.5 | 179.6 | 4.4 | 109.2 | N798 E802 | N798-R800 VanDerWaalsContact C-N 3.25Å; N798-R800 PolarHBondContact O-N 3.23Å; R800-E802 PolarHBondContact O-N 3.22Å |
| 801 | I | 30.6 | Very low | 28.1 | Very low | 158 Ų | 158 | 160.4 Ų | 160.4 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | | | trans | -63.3 | 106.4 | 172.4 | -61 | 179.6 | 0 | 0 | 0 | 107.6 | V799 | V799-I801 PolarHBondContact O-N 3.42Š|
| 802 | E | 26.8 | Very low | 28.1 | Very low | 152 Ų | 152 | 160 Ų | 160 | 71% | 0.71 | 79% | 0.788 | S | S | * | * | | | trans | -65.9 | 134 | -178.2 | -66.3 | -172.8 | 132.7 | 0 | 0 | 110.7 | R800 K804 | R800-E802 PolarHBondContact O-N 3.22Å; E802-K804 PolarHBondContact O-N 3.04Å; E802-K804 VanDerWaalsContact O-N 3.14Å |
| 803 | R | 27.2 | Very low | 27.7 | Very low | 230 Ų | 230 | 156.5 Ų | 156.5 | 87% | 0.868 | 78% | 0.782 | S | S | * | * | | | trans | -68.7 | 109.5 | 168.2 | -55.9 | 179.5 | -164.1 | 168 | 3.6 | 107.5 | | |
| 804 | K | 31.4 | Very low | 27.5 | Very low | 200 Ų | 200 | 157.3 Ų | 157.3 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | | | trans | -81.5 | 127.2 | 158.7 | -76 | -161.8 | 172.6 | -173.1 | 0 | 108.6 | E802 | E802-K804 PolarHBondContact O-N 3.04Å; E802-K804 VanDerWaalsContact O-N 3.14Å |
| 805 | N | 30.1 | Very low | 27.1 | Very low | 129 Ų | 129 | 156.3 Ų | 156.3 | 69% | 0.69 | 79% | 0.786 | S | S | * | * | | | trans | -80.3 | 151 | -170.8 | -58.9 | -39.2 | 0 | 0 | 0 | 111.7 | | |
| 806 | D | 28.4 | Very low | 27.1 | Very low | 152 Ų | 152 | 154.6 Ų | 154.6 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | | | trans | 39.8 | 95.8 | 136.8 | -50.5 | -26.2 | 0 | 0 | 0 | 118.5 | | |
| 807 | E | 30.7 | Very low | 26.8 | Very low | 199 Ų | 199 | 159.5 Ų | 159.5 | 93% | 0.93 | 80% | 0.8 | S | S | * | * | | | trans | -128.2 | 121.6 | 145.8 | -156.7 | 160.2 | -144.2 | 0 | 0 | 110.2 | | |
| 808 | K | 24.2 | Very low | 26.7 | Very low | 193 Ų | 193 | 155 Ų | 155 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | | | trans | -83.4 | 130.9 | -171.4 | -68.2 | 171.1 | 175.9 | 173 | 0 | 110.9 | | |
| 809 | L | 27.1 | Very low | 26.7 | Very low | 167 Ų | 167 | 153.3 Ų | 153.3 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | | | trans | -130.7 | 153.4 | 153.4 | -79.2 | 178.7 | 0 | 0 | 0 | 110.4 | | |
| 810 | P | 24.3 | Very low | 26.4 | Very low | 112 Ų | 112 | 154.8 Ų | 154.8 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | | | trans | -86.3 | 147.8 | -138.1 | 30.5 | -36.6 | 0 | 0 | 0 | 115.4 | I812 | P810-I812 PolarHBondContact O-N 3.15Š|
| 811 | I | 22.1 | Very low | 26.4 | Very low | 151 Ų | 151 | 151.7 Ų | 151.7 | 77% | 0.774 | 79% | 0.794 | S | S | * | * | | | trans | -69.8 | 121.4 | 166.2 | -60.6 | 164.9 | 0 | 0 | 0 | 108.3 | T813 | I811-T813 WeakPolarHBondContact CG2-OG1 3.41Š|
| 812 | I | 26.3 | Very low | 26.2 | Very low | 156 Ų | 156 | 153.5 Ų | 153.5 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | | | trans | -115.9 | 116.7 | 152.8 | -64.2 | -177.6 | 0 | 0 | 0 | 107.3 | P810 | P810-I812 PolarHBondContact O-N 3.15Š|
| 813 | T | 21.6 | Very low | 26.2 | Very low | 100 Ų | 100 | 152.4 Ų | 152.4 | 61% | 0.613 | 80% | 0.8 | S | S | * | * | | | trans | -84.9 | 120.9 | -173.1 | -53.1 | 0 | 0 | 0 | 0 | 110.8 | I811 T815 | I811-T813 WeakPolarHBondContact CG2-OG1 3.41Å; T813-T815 HydrophobicContact CG2-CG2 4.43Å |
| 814 | T | 25.7 | Very low | 26.1 | Very low | 139 Ų | 139 | 146.7 Ų | 146.7 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | | | trans | -126.9 | 86.5 | 155.3 | 7.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 815 | T | 23 | Very low | 25.9 | Very low | 112 Ų | 112 | 144.1 Ų | 144.1 | 69% | 0.687 | 79% | 0.79 | S | S | * | * | | | trans | -42.5 | 126.9 | 161.6 | 19.2 | 0 | 0 | 0 | 0 | 113.4 | T813 | T813-T815 HydrophobicContact CG2-CG2 4.43Š|
| 816 | T | 26.8 | Very low | 25.8 | Very low | 146 Ų | 146 | 145.6 Ų | 145.6 | 90% | 0.896 | 80% | 0.797 | S | S | * | * | | | | -158.7 | 139.5 | 121 | 4.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 817 | Q | 24.5 | Very low | 25.7 | Very low | 197 Ų | 197 | 143 Ų | 143 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | | | trans | -86.6 | 151 | -178.8 | -61.2 | 157.7 | -46.9 | 0 | 0 | 110 | | |
| 818 | G | 24.9 | Very low | 25.5 | Very low | 76 Ų | 76 | 144.7 Ų | 144.7 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | | | trans | -174.2 | 44.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 819 | N | 26.8 | Very low | 25.8 | Very low | 135 Ų | 135 | 143.2 Ų | 143.2 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | | | trans | 49.4 | 95.1 | 157.6 | -156.8 | 10 | 0 | 0 | 0 | 118.9 | Q821 | N819-Q821 PolarHBondContact O-N 3.12Š|
| 820 | V | 26.5 | Very low | 25.8 | Very low | 132 Ų | 132 | 140.5 Ų | 140.5 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | | | trans | -75.1 | 84.9 | 168.2 | -176.6 | 0 | 0 | 0 | 0 | 110.3 | K822 | V820-K822 HydrophobicContact CG1-CG 4.4Å; V820-K822 PolarHBondContact O-N 3.05Å |
| 821 | Q | 25.3 | Very low | 25.9 | Very low | 149 Ų | 149 | 142.4 Ų | 142.4 | 70% | 0.696 | 79% | 0.789 | S | S | * | * | | | trans | -76.2 | 109.2 | 161 | -80.5 | -168.9 | -10.2 | 0 | 0 | 109.6 | N819 T823 | N819-Q821 PolarHBondContact O-N 3.12Å; Q821-T823 VanDerWaalsContact C-N 3.34Å; Q821-T823 PolarHBondContact O-N 3.32Å |
| 822 | K | 26 | Very low | 26.4 | Very low | 197 Ų | 197 | 140.4 Ų | 140.4 | 86% | 0.857 | 79% | 0.786 | S | S | * | * | | | trans | -69.5 | 87.7 | 169.9 | -68.8 | 176.2 | 176.5 | 176.5 | 0 | 109.4 | V820 S824 | V820-K822 HydrophobicContact CG1-CG 4.4Å; V820-K822 PolarHBondContact O-N 3.05Å; K822-S824 PolarHBondContact O-N 3.03Å |
| 823 | T | 28 | Very low | 27.1 | Very low | 129 Ų | 129 | 135.2 Ų | 135.2 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | | | trans | -71.3 | 117.1 | 164.6 | 39.8 | 0 | 0 | 0 | 0 | 108.9 | Q821 | Q821-T823 VanDerWaalsContact C-N 3.34Å; Q821-T823 PolarHBondContact O-N 3.32Å |
| 824 | S | 24.6 | Very low | 27.8 | Very low | 109 Ų | 109 | 139.4 Ų | 139.4 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | | | trans | -65.7 | 134 | 176.3 | -178.8 | 0 | 0 | 0 | 0 | 110.1 | K822 D826 | K822-S824 PolarHBondContact O-N 3.03Å; S824-D826 PolarHBondContact O-N 3.21Å |
| 825 | I | 26.8 | Very low | 28.7 | Very low | 147 Ų | 147 | 140.3 Ų | 140.3 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | | | trans | -26.6 | 113.1 | 165.2 | -56.1 | 162.1 | 0 | 0 | 0 | 113 | | |
| 826 | D | 27.9 | Very low | 30 | Very low | 159 Ų | 159 | 139.7 Ų | 139.7 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | | | trans | -109.4 | 110.7 | 151 | -92.9 | -39.3 | 0 | 0 | 0 | 108.3 | S824 W828 | S824-D826 PolarHBondContact O-N 3.21Å; D826-W828 PolarHBondContact O-N 3.12Å |
| 827 | S | 26.5 | Very low | 31 | Very low | 98 Ų | 98 | 138.8 Ų | 138.8 | 69% | 0.685 | 75% | 0.749 | S | S | * | * | | | trans | -90.8 | 71.8 | -166.1 | 60.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 828 | W | 27 | Very low | 32.7 | Very low | 234 Ų | 234 | 134.8 Ų | 134.8 | 89% | 0.886 | 73% | 0.73 | S | S | * | * | | | trans | -129.6 | 35 | 179.3 | -78 | 77.9 | 0 | 0 | 0 | 114.5 | D826 S830 | D826-W828 PolarHBondContact O-N 3.12Å; W828-S830 PolarHBondContact O-N 2.97Å |
| 829 | N | 29.9 | Very low | 34.9 | Very low | 162 Ų | 162 | 138.1 Ų | 138.1 | 87% | 0.866 | 72% | 0.723 | S | S | * | * | | | trans | -80.9 | 99.6 | 164.3 | -76.9 | -13.1 | 0 | 0 | 0 | 109.8 | L831 | N829-L831 PolarHBondContact O-N 3.01Š|
| 830 | S | 26.9 | Very low | 37 | Very low | 111 Ų | 111 | 136.1 Ų | 136.1 | 78% | 0.776 | 71% | 0.711 | S | S | * | * | | | trans | -61.1 | 125.4 | 171.9 | 46.9 | 0 | 0 | 0 | 0 | 110.5 | W828 P832 | W828-S830 PolarHBondContact O-N 2.97Å; S830-P832 VanDerWaalsContact O-CD 3.31Å; S830-P832 WeakPolarHBondContact O-CD 3.32Å |
| 831 | L | 27.5 | Very low | 39.3 | Very low | 152 Ų | 152 | 133.3 Ų | 133.3 | 80% | 0.796 | 69% | 0.694 | S | S | * | * | | | trans | -66.5 | 119.8 | 173.5 | -108.3 | 68.9 | 0 | 0 | 0 | 109.6 | N829 A833 | N829-L831 PolarHBondContact O-N 3.01Å; L831-A833 PolarHBondContact O-N 2.94Å |
| 832 | P | 31.7 | Very low | 41.7 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 70% | 0.701 | 68% | 0.681 | S | S | * | * | | | trans | -81.6 | 55.3 | -178.8 | 34.8 | -35.9 | 0 | 0 | 0 | 111.7 | S830 | S830-P832 VanDerWaalsContact O-CD 3.31Å; S830-P832 WeakPolarHBondContact O-CD 3.32Å |
| 833 | A | 40.6 | Very low | 44.2 | Very low | 48 Ų | 48 | 126.2 Ų | 126.2 | 40% | 0.397 | 67% | 0.67 | S | S | . | * | | | trans | -83.6 | -13.1 | -173 | 0 | 0 | 0 | 0 | 0 | 115 | L831 H837 | L831-A833 PolarHBondContact O-N 2.94Å; A833-H837 PolarHBondContact O-ND1 2.99Å |
| 834 | F | 36.2 | Very low | 46.6 | Very low | 187 Ų | 187 | 124.2 Ų | 124.2 | 82% | 0.82 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -95.7 | -18.7 | -170.5 | -80.5 | -78.9 | 0 | 0 | 0 | 115.6 | | |
| 835 | Q | 45.5 | Very low | 49.2 | Very low | 158 Ų | 158 | 122.6 Ų | 122.6 | 74% | 0.738 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -79.2 | -34.6 | 177.9 | -81.8 | -173 | -24 | 0 | 0 | 113.2 | H837 Q838 K839 | Q835-H837 VanDerWaalsContact C-N 3.32Å; Q835-H837 PolarHBondContact O-N 3.48Å; Q835-Q838 PolarHBondContact O-N 3.44Å; Q835-K839 PolarHBondContact O-N 2.93Å |
| 836 | D | 51.1 | Low | 51.6 | Low | 99 Ų | 99 | 121.5 Ų | 121.5 | 53% | 0.529 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -66.1 | -35.6 | -178 | -65.6 | -23.7 | 0 | 0 | 0 | 112.5 | Q838 K839 I840 | D836-Q838 VanDerWaalsContact C-N 3.32Å; D836-Q838 PolarHBondContact O-N 2.98Å; D836-K839 PolarHBondContact O-N 3.15Å; D836-I840 WeakPolarHBondContact O-CG1 3.47Å; D836-I840 PolarHBondContact O-N 3.1Å |
| 837 | H | 47.4 | Very low | 53.8 | Low | 128 Ų | 128 | 119.9 Ų | 119.9 | 59% | 0.593 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -62.2 | -37.9 | 176.7 | -74.1 | 87.5 | 0 | 0 | 0 | 112.4 | A833 Q835 I840 V841 | A833-H837 PolarHBondContact O-ND1 2.99Å; Q835-H837 VanDerWaalsContact C-N 3.32Å; Q835-H837 PolarHBondContact O-N 3.48Å; H837-I840 PolarHBondContact O-N 3.46Å; H837-V841 WeakPolarHBondContact O-CG2 3.44Å; H837-V841 PolarHBondContact O-N 3.23Å |
| 838 | Q | 59.5 | Low | 56 | Low | 113 Ų | 113 | 119.8 Ų | 119.8 | 53% | 0.528 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -67 | -47.9 | 177.4 | -168.7 | 66 | 49.9 | 0 | 0 | 110.8 | Q835 D836 I840 V841 D842 | Q835-Q838 PolarHBondContact O-N 3.44Å; D836-Q838 VanDerWaalsContact C-N 3.32Å; D836-Q838 PolarHBondContact O-N 2.98Å; Q838-I840 VanDerWaalsContact C-N 3.3Å; Q838-I840 PolarHBondContact O-N 2.93Å; Q838-V841 PolarHBondContact O-N 3.06Å; Q838-V841 VanDerWaalsContact O-N 3.13Å; Q838-D842 PolarHBondContact NE2-OD1 3.25Å; Q838-D842 VanDerWaalsContact O-CG 3.26Å; Q838-D842 PolarHBondContact O-N 2.98Å |
| 839 | K | 71.3 | Confident | 58.2 | Low | 145 Ų | 145 | 111.9 Ų | 111.9 | 63% | 0.63 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -57.6 | -40 | 175.6 | -78.4 | -176.5 | 174.3 | 177.9 | 0 | 112.9 | Q835 D836 L843 | Q835-K839 PolarHBondContact O-N 2.93Å; D836-K839 PolarHBondContact O-N 3.15Å; K839-L843 WeakPolarHBondContact O-CB 3.37Å; K839-L843 WeakPolarHBondContact O-CG 3.45Å; K839-L843 PolarHBondContact O-N 3.39Å |
| 840 | I | 70.6 | Confident | 60 | Low | 93 Ų | 93 | 109.1 Ų | 109.1 | 48% | 0.477 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66 | -41.5 | 177.1 | -72.9 | 167.9 | 0 | 0 | 0 | 111.2 | D836 H837 Q838 I844 | D836-I840 WeakPolarHBondContact O-CG1 3.47Å; D836-I840 PolarHBondContact O-N 3.1Å; H837-I840 PolarHBondContact O-N 3.46Å; Q838-I840 VanDerWaalsContact C-N 3.3Å; Q838-I840 PolarHBondContact O-N 2.93Å; I840-I844 HydrophobicContact CG2-CD1 3.83Å; I840-I844 WeakPolarHBondContact O-CD1 3.48Å; I840-I844 VanDerWaalsContact O-CG1 3.26Å; I840-I844 WeakPolarHBondContact O-CG1 3.26Å; I840-I844 PolarHBondContact O-N 3.1Å; I840-I844 VanDerWaalsContact O-N 3.08Å |
| 841 | V | 74 | Confident | 61.4 | Low | 74 Ų | 74 | 108.3 Ų | 108.3 | 45% | 0.448 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64 | -44.9 | 176.6 | 168.5 | 0 | 0 | 0 | 0 | 111.1 | H837 Q838 I844 I845 | H837-V841 WeakPolarHBondContact O-CG2 3.44Å; H837-V841 PolarHBondContact O-N 3.23Å; Q838-V841 PolarHBondContact O-N 3.06Å; Q838-V841 VanDerWaalsContact O-N 3.13Å; V841-I844 PolarHBondContact O-N 2.98Å; V841-I845 HydrophobicContact CG1-CD1 3.85Å; V841-I845 WeakPolarHBondContact O-CG1 3.34Å; V841-I845 PolarHBondContact O-N 2.87Å |
| 842 | D | 76.9 | Confident | 62.7 | Low | 76 Ų | 76 | 105.1 Ų | 105.1 | 41% | 0.406 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.5 | -40.1 | -179.7 | -59.6 | -25.8 | 0 | 0 | 0 | 111.2 | Q838 I844 I845 E846 | Q838-D842 PolarHBondContact NE2-OD1 3.25Å; Q838-D842 VanDerWaalsContact O-CG 3.26Å; Q838-D842 PolarHBondContact O-N 2.98Å; D842-I844 PolarHBondContact O-N 3.24Å; D842-I845 PolarHBondContact O-N 3.31Å; D842-E846 PolarHBondContact O-N 2.68Å |
| 843 | L | 77.7 | Confident | 63.7 | Low | 121 Ų | 121 | 103.1 Ų | 103.1 | 63% | 0.634 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.4 | -43.2 | 172.3 | -87.3 | 161.9 | 0 | 0 | 0 | 113.2 | K839 I845 E846 E847 | K839-L843 WeakPolarHBondContact O-CB 3.37Å; K839-L843 WeakPolarHBondContact O-CG 3.45Å; K839-L843 PolarHBondContact O-N 3.39Å; L843-I845 VanDerWaalsContact C-N 3.31Å; L843-I845 PolarHBondContact O-N 3.15Å; L843-E846 PolarHBondContact O-N 2.89Å; L843-E847 WeakPolarHBondContact O-CB 3.49Å; L843-E847 PolarHBondContact O-N 3.33Å |
| 844 | I | 78.1 | Confident | 63.9 | Low | 86 Ų | 86 | 104.7 Ų | 104.7 | 44% | 0.441 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67 | -34.5 | 178.2 | -68.8 | 164.7 | 0 | 0 | 0 | 110.9 | I840 V841 D842 I848 | I840-I844 HydrophobicContact CG2-CD1 3.83Å; I840-I844 WeakPolarHBondContact O-CD1 3.48Å; I840-I844 VanDerWaalsContact O-CG1 3.26Å; I840-I844 WeakPolarHBondContact O-CG1 3.26Å; I840-I844 PolarHBondContact O-N 3.1Å; I840-I844 VanDerWaalsContact O-N 3.08Å; V841-I844 PolarHBondContact O-N 2.98Å; D842-I844 PolarHBondContact O-N 3.24Å; I844-I848 HydrophobicContact CG2-CD1 3.91Å; I844-I848 WeakPolarHBondContact O-CD1 3.43Å; I844-I848 VanDerWaalsContact O-CG1 3.24Å; I844-I848 WeakPolarHBondContact O-CG1 3.41Å; I844-I848 PolarHBondContact O-N 3.06Å; I844-I848 VanDerWaalsContact O-N 3.08Å |
| 845 | I | 81 | Confident | 64.2 | Low | 76 Ų | 76 | 103.2 Ų | 103.2 | 39% | 0.39 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.1 | -44.9 | 176.8 | -69.5 | 166.7 | 0 | 0 | 0 | 110.8 | V841 D842 L843 I848 L849 | V841-I845 HydrophobicContact CG1-CD1 3.85Å; V841-I845 WeakPolarHBondContact O-CG1 3.34Å; V841-I845 PolarHBondContact O-N 2.87Å; D842-I845 PolarHBondContact O-N 3.31Å; L843-I845 VanDerWaalsContact C-N 3.31Å; L843-I845 PolarHBondContact O-N 3.15Å; I845-I848 PolarHBondContact O-N 3.33Å; I845-L849 HydrophobicContact CG2-CD1 4.01Å; I845-L849 WeakPolarHBondContact O-CG 3.45Å; I845-L849 PolarHBondContact O-N 3.42Å |
| 846 | E | 76.3 | Confident | 64 | Low | 124 Ų | 124 | 101.1 Ų | 101.1 | 58% | 0.579 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.1 | -45.5 | 174.4 | -74.6 | -66.2 | 131.9 | 0 | 0 | 111.8 | D842 L843 I848 L849 Q850 | D842-E846 PolarHBondContact O-N 2.68Å; L843-E846 PolarHBondContact O-N 2.89Å; E846-I848 VanDerWaalsContact C-N 3.31Å; E846-I848 PolarHBondContact O-N 3.25Å; E846-L849 PolarHBondContact O-N 3.02Å; E846-L849 VanDerWaalsContact O-N 3.14Å; E846-Q850 PolarHBondContact O-N 3.36Å |
| 847 | E | 74.7 | Confident | 63.6 | Low | 124 Ų | 124 | 101.7 Ų | 101.7 | 58% | 0.579 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.7 | -40.1 | 177.2 | -173.7 | 179.8 | -168.1 | 0 | 0 | 112 | L843 N851 | L843-E847 WeakPolarHBondContact O-CB 3.49Å; L843-E847 PolarHBondContact O-N 3.33Å; E847-N851 WeakPolarHBondContact O-CB 3.47Å; E847-N851 PolarHBondContact O-N 3.01Å; E847-N851 VanDerWaalsContact O-N 3.12Å; E847-N851 PolarHBondContact O-ND2 3.41Å |
| 848 | I | 72.5 | Confident | 62.8 | Low | 96 Ų | 96 | 100 Ų | 100 | 49% | 0.492 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.5 | -42 | 175.6 | -70.4 | 166.5 | 0 | 0 | 0 | 111.2 | I844 I845 E846 I852 | I844-I848 HydrophobicContact CG2-CD1 3.91Å; I844-I848 WeakPolarHBondContact O-CD1 3.43Å; I844-I848 VanDerWaalsContact O-CG1 3.24Å; I844-I848 WeakPolarHBondContact O-CG1 3.41Å; I844-I848 PolarHBondContact O-N 3.06Å; I844-I848 VanDerWaalsContact O-N 3.08Å; I845-I848 PolarHBondContact O-N 3.33Å; E846-I848 VanDerWaalsContact C-N 3.31Å; E846-I848 PolarHBondContact O-N 3.25Å; I848-I852 HydrophobicContact CG2-CD1 3.86Å; I848-I852 WeakPolarHBondContact O-CD1 3.34Å; I848-I852 VanDerWaalsContact O-CG1 3.27Å; I848-I852 WeakPolarHBondContact O-CG1 3.34Å; I848-I852 PolarHBondContact O-N 2.92Å; I848-I852 VanDerWaalsContact O-N 3.15Å |
| 849 | L | 73.3 | Confident | 61.6 | Low | 69 Ų | 69 | 103.8 Ų | 103.8 | 36% | 0.361 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.4 | -38.8 | 179.2 | -72 | 170.5 | 0 | 0 | 0 | 112.5 | I845 E846 I852 T853 | I845-L849 HydrophobicContact CG2-CD1 4.01Å; I845-L849 WeakPolarHBondContact O-CG 3.45Å; I845-L849 PolarHBondContact O-N 3.42Å; E846-L849 PolarHBondContact O-N 3.02Å; E846-L849 VanDerWaalsContact O-N 3.14Å; L849-I852 PolarHBondContact O-N 2.99Å; L849-T853 PolarHBondContact O-N 3.04Å; L849-T853 VanDerWaalsContact O-N 3.08Å; L849-T853 PolarHBondContact O-OG1 3.07Å |
| 850 | Q | 67.1 | Low | 59.6 | Low | 103 Ų | 103 | 102.1 Ų | 102.1 | 48% | 0.481 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.8 | -49.4 | 175.3 | -170.5 | 62 | 46.7 | 0 | 0 | 111.1 | E846 I852 T853 D854 | E846-Q850 PolarHBondContact O-N 3.36Å; Q850-I852 VanDerWaalsContact C-N 3.27Å; Q850-I852 PolarHBondContact O-N 3.24Å; Q850-T853 WeakPolarHBondContact O-CA 3.47Å; Q850-T853 WeakPolarHBondContact O-CB 3.28Å; Q850-T853 PolarHBondContact O-N 2.94Å; Q850-D854 PolarHBondContact NE2-OD1 3.34Å; Q850-D854 PolarHBondContact O-N 3.44Å |
| 851 | N | 57.2 | Low | 57.6 | Low | 94 Ų | 94 | 102.9 Ų | 102.9 | 50% | 0.503 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59 | -34.5 | 178.2 | -83 | -74.1 | 0 | 0 | 0 | 113.3 | E847 Q855 | E847-N851 WeakPolarHBondContact O-CB 3.47Å; E847-N851 PolarHBondContact O-N 3.01Å; E847-N851 VanDerWaalsContact O-N 3.12Å; E847-N851 PolarHBondContact O-ND2 3.41Å; N851-Q855 PolarHBondContact O-N 3.24Å |
| 852 | I | 54.2 | Low | 55.5 | Low | 86 Ų | 86 | 107.4 Ų | 107.4 | 44% | 0.441 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -70.6 | -35.3 | 174.2 | -67.8 | 165.1 | 0 | 0 | 0 | 111.1 | I848 L849 Q850 N856 | I848-I852 HydrophobicContact CG2-CD1 3.86Å; I848-I852 WeakPolarHBondContact O-CD1 3.34Å; I848-I852 VanDerWaalsContact O-CG1 3.27Å; I848-I852 WeakPolarHBondContact O-CG1 3.34Å; I848-I852 PolarHBondContact O-N 2.92Å; I848-I852 VanDerWaalsContact O-N 3.15Å; L849-I852 PolarHBondContact O-N 2.99Å; Q850-I852 VanDerWaalsContact C-N 3.27Å; Q850-I852 PolarHBondContact O-N 3.24Å; I852-N856 PolarHBondContact O-ND2 3.3Å |
| 853 | T | 52.2 | Low | 53.5 | Low | 65 Ų | 65 | 111.5 Ų | 111.5 | 40% | 0.399 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -70.3 | -46 | 179.6 | -55.6 | 0 | 0 | 0 | 0 | 111.1 | L849 Q850 Q855 N856 I857 | L849-T853 PolarHBondContact O-N 3.04Å; L849-T853 VanDerWaalsContact O-N 3.08Å; L849-T853 PolarHBondContact O-OG1 3.07Å; Q850-T853 WeakPolarHBondContact O-CA 3.47Å; Q850-T853 WeakPolarHBondContact O-CB 3.28Å; Q850-T853 PolarHBondContact O-N 2.94Å; T853-Q855 VanDerWaalsContact C-N 3.34Å; T853-Q855 PolarHBondContact O-N 3.46Å; T853-N856 PolarHBondContact O-N 2.96Å; T853-I857 HydrophobicContact CG2-CD1 3.88Å; T853-I857 PolarHBondContact O-N 3.33Å |
| 854 | D | 44.4 | Very low | 51.2 | Low | 81 Ų | 81 | 114.1 Ų | 114.1 | 43% | 0.433 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64 | -36.8 | -178.4 | -62.2 | -21.5 | 0 | 0 | 0 | 112.3 | Q850 N856 I857 S858 | Q850-D854 PolarHBondContact NE2-OD1 3.34Å; Q850-D854 PolarHBondContact O-N 3.44Å; D854-N856 VanDerWaalsContact C-N 3.26Å; D854-N856 PolarHBondContact O-N 3.46Å; D854-I857 PolarHBondContact O-N 3.29Å; D854-S858 PolarHBondContact O-N 2.99Å |
| 855 | Q | 42.9 | Very low | 48.7 | Very low | 157 Ų | 157 | 119.8 Ų | 119.8 | 73% | 0.734 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -63.1 | -29.4 | 173.1 | -79.4 | -164.1 | 3.6 | 0 | 0 | 113.5 | N851 T853 S858 | N851-Q855 PolarHBondContact O-N 3.24Å; T853-Q855 VanDerWaalsContact C-N 3.34Å; T853-Q855 PolarHBondContact O-N 3.46Å; Q855-S858 PolarHBondContact O-OG 2.98Å; Q855-S858 VanDerWaalsContact O-OG 3.13Å |
| 856 | N | 41.3 | Very low | 46.1 | Very low | 113 Ų | 113 | 123.4 Ų | 123.4 | 60% | 0.604 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -85 | -21.1 | -180 | -75.7 | -70.5 | 0 | 0 | 0 | 114 | I852 T853 D854 | I852-N856 PolarHBondContact O-ND2 3.3Å; T853-N856 PolarHBondContact O-N 2.96Å; D854-N856 VanDerWaalsContact C-N 3.26Å; D854-N856 PolarHBondContact O-N 3.46Å |
| 857 | I | 42.1 | Very low | 43.8 | Very low | 112 Ų | 112 | 126.1 Ų | 126.1 | 57% | 0.574 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -89.9 | -18.7 | -180 | -61.7 | 174.5 | 0 | 0 | 0 | 112.3 | T853 D854 K859 | T853-I857 HydrophobicContact CG2-CD1 3.88Å; T853-I857 PolarHBondContact O-N 3.33Å; D854-I857 PolarHBondContact O-N 3.29Å; I857-K859 PolarHBondContact O-N 3.04Å |
| 858 | S | 32.2 | Very low | 41.6 | Very low | 92 Ų | 92 | 126.1 Ų | 126.1 | 64% | 0.643 | 65% | 0.647 | S | S | * | * | | | trans | -67.2 | 19.7 | 179 | 66.7 | 0 | 0 | 0 | 0 | 116.9 | D854 Q855 | D854-S858 PolarHBondContact O-N 2.99Å; Q855-S858 PolarHBondContact O-OG 2.98Å; Q855-S858 VanDerWaalsContact O-OG 3.13Å |
| 859 | K | 33.6 | Very low | 39.3 | Very low | 192 Ų | 192 | 127.6 Ų | 127.6 | 84% | 0.835 | 66% | 0.656 | S | S | * | * | | | trans | -117.6 | 53.8 | 170.4 | -75.7 | -172.9 | 175.1 | -179.8 | 0 | 112.1 | I857 T861 | I857-K859 PolarHBondContact O-N 3.04Å; K859-T861 PolarHBondContact O-N 3.45Å |
| 860 | T | 28.5 | Very low | 37.2 | Very low | 110 Ų | 110 | 132.7 Ų | 132.7 | 68% | 0.675 | 68% | 0.678 | S | S | * | * | | | trans | -76.3 | 95.1 | 163.5 | 46.6 | 0 | 0 | 0 | 0 | 110.3 | D862 | T860-D862 PolarHBondContact O-N 2.93Š|
| 861 | T | 30.6 | Very low | 35.2 | Very low | 109 Ų | 109 | 134.7 Ų | 134.7 | 67% | 0.669 | 69% | 0.692 | S | S | * | * | | | trans | 40.5 | 73.6 | 130.7 | -35.1 | 0 | 0 | 0 | 0 | 118.1 | K859 E863 | K859-T861 PolarHBondContact O-N 3.45Å; T861-E863 HydrophobicContact CG2-CB 3.91Å; T861-E863 HydrophobicContact CG2-CG 3.84Å; T861-E863 PolarHBondContact O-N 3.19Å; T861-E863 VanDerWaalsContact O-N 3.08Å |
| 862 | D | 28.7 | Very low | 33.6 | Very low | 170 Ų | 170 | 139.4 Ų | 139.4 | 91% | 0.909 | 71% | 0.711 | S | S | * | * | | | trans | -77.1 | 60.5 | 152.7 | -74.6 | -42.3 | 0 | 0 | 0 | 109.8 | T860 | T860-D862 PolarHBondContact O-N 2.93Š|
| 863 | E | 34.1 | Very low | 32.3 | Very low | 162 Ų | 162 | 140 Ų | 140 | 76% | 0.757 | 73% | 0.729 | S | S | * | * | | | trans | -83.7 | 126.4 | 164.8 | -77.6 | -166.2 | 164.7 | 0 | 0 | 109.4 | T861 F865 | T861-E863 HydrophobicContact CG2-CB 3.91Å; T861-E863 HydrophobicContact CG2-CG 3.84Å; T861-E863 PolarHBondContact O-N 3.19Å; T861-E863 VanDerWaalsContact O-N 3.08Å; E863-F865 PolarHBondContact O-N 3.45Å |
| 864 | Q | 29.5 | Very low | 30.9 | Very low | 176 Ų | 176 | 146.4 Ų | 146.4 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | | | trans | -62.4 | 121 | -174.1 | -67.4 | 173.8 | -61.1 | 0 | 0 | 110.8 | M866 | Q864-M866 VanDerWaalsContact C-N 3.3Å; Q864-M866 PolarHBondContact O-N 2.9Å |
| 865 | F | 26.2 | Very low | 30.1 | Very low | 205 Ų | 205 | 149 Ų | 149 | 90% | 0.899 | 77% | 0.77 | S | S | * | * | | | trans | -59.7 | 93.7 | 160.3 | -99.9 | -104.1 | 0 | 0 | 0 | 109.1 | E863 E867 | E863-F865 PolarHBondContact O-N 3.45Å; F865-E867 VanDerWaalsContact C-N 3.31Å; F865-E867 PolarHBondContact O-N 3.34Å |
| 866 | M | 27.7 | Very low | 29.4 | Very low | 152 Ų | 152 | 147.6 Ų | 147.6 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | | | trans | -81.5 | 87.1 | 162.4 | -71.5 | -65.7 | -73.5 | 0 | 0 | 107.7 | Q864 T868 | Q864-M866 VanDerWaalsContact C-N 3.3Å; Q864-M866 PolarHBondContact O-N 2.9Å; M866-T868 PolarHBondContact O-N 3.47Å; M866-T868 PolarHBondContact O-OG1 3.32Å; M866-T868 VanDerWaalsContact O-OG1 3.05Å |
| 867 | E | 26.3 | Very low | 28.4 | Very low | 181 Ų | 181 | 150.3 Ų | 150.3 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | | | trans | -51.1 | 94.9 | 173.8 | -171.6 | 170.3 | -155.9 | 0 | 0 | 110.3 | F865 D869 | F865-E867 VanDerWaalsContact C-N 3.31Å; F865-E867 PolarHBondContact O-N 3.34Å; E867-D869 PolarHBondContact O-N 3.2Å |
| 868 | T | 28.8 | Very low | 27.6 | Very low | 124 Ų | 124 | 152.1 Ų | 152.1 | 76% | 0.761 | 78% | 0.784 | S | S | * | * | | | trans | -96.3 | 87.1 | -179.6 | -56.1 | 0 | 0 | 0 | 0 | 108.2 | M866 Q870 | M866-T868 PolarHBondContact O-N 3.47Å; M866-T868 PolarHBondContact O-OG1 3.32Å; M866-T868 VanDerWaalsContact O-OG1 3.05Å; T868-Q870 PolarHBondContact O-N 3.39Å; T868-Q870 VanDerWaalsContact O-N 3.11Å |
| 869 | D | 25.3 | Very low | 27.2 | Very low | 126 Ų | 126 | 156.5 Ų | 156.5 | 67% | 0.674 | 79% | 0.794 | S | S | * | * | | | trans | -72 | 95.8 | -178.2 | -167.9 | 5.1 | 0 | 0 | 0 | 110.9 | E867 N871 | E867-D869 PolarHBondContact O-N 3.2Å; D869-N871 PolarHBondContact OD1-ND2 2.91Å |
| 870 | Q | 29.2 | Very low | 26.5 | Very low | 177 Ų | 177 | 155.6 Ų | 155.6 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | | | trans | -127.1 | 92.2 | 167.1 | -80.8 | -154.6 | -23.7 | 0 | 0 | 112.2 | T868 E872 | T868-Q870 PolarHBondContact O-N 3.39Å; T868-Q870 VanDerWaalsContact O-N 3.11Å; Q870-E872 PolarHBondContact O-N 3.08Å; Q870-E872 VanDerWaalsContact O-N 3.1Å |
| 871 | N | 23.5 | Very low | 26.4 | Very low | 145 Ų | 145 | 158.9 Ų | 158.9 | 78% | 0.775 | 80% | 0.803 | S | S | * | * | | | trans | -68.9 | 83.9 | 164.3 | -78.6 | -84.5 | 0 | 0 | 0 | 111.7 | D869 | D869-N871 PolarHBondContact OD1-ND2 2.91Š|
| 872 | E | 25.2 | Very low | 26 | Very low | 193 Ų | 193 | 159 Ų | 159 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | | | trans | -157.3 | 81.5 | 165 | -131.4 | 168.8 | -155.6 | 0 | 0 | 116.1 | Q870 | Q870-E872 PolarHBondContact O-N 3.08Å; Q870-E872 VanDerWaalsContact O-N 3.1Å |
| 873 | A | 25.7 | Very low | 26 | Very low | 99 Ų | 99 | 159.1 Ų | 159.1 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | trans | -171.1 | 92.3 | 149.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 874 | K | 24.1 | Very low | 25.3 | Very low | 199 Ų | 199 | 155 Ų | 155 | 87% | 0.865 | 81% | 0.809 | S | S | * | * | | | trans | -78.4 | 174.1 | 157.8 | -72.8 | 172.5 | 178.8 | 167.8 | 0 | 109.1 | | |
| 875 | T | 27.2 | Very low | 25.2 | Very low | 136 Ų | 136 | 155 Ų | 155 | 83% | 0.834 | 81% | 0.814 | S | S | * | * | | | trans | 78.3 | 128.6 | -177.2 | -18.1 | 0 | 0 | 0 | 0 | 111 | | |
| 876 | V | 28 | Very low | 24.9 | Very low | 126 Ų | 126 | 153.9 Ų | 153.9 | 76% | 0.764 | 81% | 0.813 | S | S | * | * | | | cis | -129.8 | 145.5 | 16.7 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 877 | K | 20.8 | Very low | 24.7 | Very low | 170 Ų | 170 | 151.5 Ų | 151.5 | 74% | 0.739 | 81% | 0.812 | S | S | * | * | | | trans | -104.2 | 157.6 | 170.1 | -170.9 | -176.2 | -177 | -175.4 | 0 | 108.2 | | |
| 878 | H | 23.9 | Very low | 24.4 | Very low | 150 Ų | 150 | 148.9 Ų | 148.9 | 69% | 0.694 | 81% | 0.808 | S | S | * | * | | | trans | 76.3 | 133 | -176 | -49.2 | -90.7 | 0 | 0 | 0 | 112.1 | | |
| 879 | Q | 24.5 | Very low | 24.3 | Very low | 185 Ų | 185 | 149.5 Ų | 149.5 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | | | cis | -159.2 | 137.2 | 37.7 | -131.3 | 152.3 | -6 | 0 | 0 | 110.6 | | |
| 880 | M | 19.1 | Very low | 24.3 | Very low | 173 Ų | 173 | 152 Ų | 152 | 85% | 0.852 | 82% | 0.82 | S | S | * | * | | | trans | -76.4 | 126.4 | 152.4 | -78.5 | 159 | 52.8 | 0 | 0 | 106.9 | | |
| 881 | E | 25.8 | Very low | 24 | Very low | 178 Ų | 178 | 150.1 Ų | 150.1 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | | | trans | 171.2 | 122.5 | 136.7 | -96.3 | 161.7 | -161 | 0 | 0 | 112.9 | | |
| 882 | S | 22.3 | Very low | 24.2 | Very low | 112 Ų | 112 | 151 Ų | 151 | 78% | 0.783 | 82% | 0.82 | S | S | * | * | | | trans | 38.6 | 86.4 | 131.8 | -179.2 | 0 | 0 | 0 | 0 | 119.2 | | |
| 883 | L | 28.5 | Very low | 24.1 | Very low | 172 Ų | 172 | 146.7 Ų | 146.7 | 90% | 0.901 | 81% | 0.811 | S | S | * | * | | | trans | -133.5 | 110.2 | 144 | -80.2 | 177.9 | 0 | 0 | 0 | 110 | | |
| 884 | G | 20.4 | Very low | 24 | Very low | 77 Ų | 77 | 147.8 Ų | 147.8 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | | | trans | -77.3 | 125.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 885 | L | 26.7 | Very low | 24.1 | Very low | 174 Ų | 174 | 144 Ų | 144 | 91% | 0.911 | 81% | 0.805 | S | S | * | * | | | trans | -114 | 102.4 | 161.7 | -73.2 | 175.5 | 0 | 0 | 0 | 108.6 | | |
| 886 | M | 19.5 | Very low | 23.9 | Very low | 182 Ų | 182 | 145.1 Ų | 145.1 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | | | trans | -67.5 | 128.7 | 161 | -69.4 | 165.9 | 53.5 | 0 | 0 | 108.9 | | |
| 887 | S | 22.9 | Very low | 23.7 | Very low | 102 Ų | 102 | 143.9 Ų | 143.9 | 71% | 0.713 | 80% | 0.803 | S | S | * | * | | | | 175.6 | 119.1 | 121.5 | 45.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 888 | T | 21.9 | Very low | 23.8 | Very low | 126 Ų | 126 | 143.7 Ų | 143.7 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | | | trans | 43 | 99.9 | 137.8 | 61.8 | 0 | 0 | 0 | 0 | 119 | | |
| 889 | T | 26 | Very low | 23.8 | Very low | 137 Ų | 137 | 143.4 Ų | 143.4 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | | | | -163.2 | 73.9 | 129.6 | 10.3 | 0 | 0 | 0 | 0 | 109.4 | V891 | T889-V891 PolarHBondContact O-N 3Š|
| 890 | E | 24.5 | Very low | 23.9 | Very low | 179 Ų | 179 | 139.8 Ų | 139.8 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | | | trans | -69.4 | 110.4 | 166.8 | -72.3 | 170.2 | 152.8 | 0 | 0 | 108.6 | | |
| 891 | V | 24.4 | Very low | 24.1 | Very low | 138 Ų | 138 | 137 Ų | 137 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | | | trans | -105.9 | 82.5 | 165.6 | -178.2 | 0 | 0 | 0 | 0 | 106.5 | T889 | T889-V891 PolarHBondContact O-N 3Š|
| 892 | E | 26.3 | Very low | 24 | Very low | 164 Ų | 164 | 136.4 Ų | 136.4 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | | | trans | -66.3 | 136.7 | -179.1 | -70.7 | -164.8 | 128.9 | 0 | 0 | 111.9 | S894 | E892-S894 PolarHBondContact O-N 3.07Š|
| 893 | S | 23.7 | Very low | 24.1 | Very low | 102 Ų | 102 | 135.9 Ų | 135.9 | 71% | 0.713 | 80% | 0.803 | S | S | * | * | | | trans | -61.4 | 115.1 | 175 | 51.1 | 0 | 0 | 0 | 0 | 111.2 | V895 | S893-V895 VanDerWaalsContact C-N 3.29Å; S893-V895 PolarHBondContact O-N 3.32Å |
| 894 | S | 23 | Very low | 23.8 | Very low | 122 Ų | 122 | 134.2 Ų | 134.2 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | | | trans | -69.4 | 81.4 | 173.7 | -55 | 0 | 0 | 0 | 0 | 111.7 | E892 L896 | E892-S894 PolarHBondContact O-N 3.07Å; S894-L896 PolarHBondContact O-N 3.32Å |
| 895 | V | 25.8 | Very low | 24 | Very low | 118 Ų | 118 | 135.2 Ų | 135.2 | 72% | 0.715 | 80% | 0.801 | S | S | * | * | | | trans | -71.9 | 115.6 | 168.6 | 179.3 | 0 | 0 | 0 | 0 | 108.3 | S893 S897 | S893-V895 VanDerWaalsContact C-N 3.29Å; S893-V895 PolarHBondContact O-N 3.32Å; V895-S897 PolarHBondContact O-N 3.04Å |
| 896 | L | 24.2 | Very low | 23.8 | Very low | 161 Ų | 161 | 132.5 Ų | 132.5 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | | | trans | -59 | 96.1 | -177.9 | -76.8 | 158.9 | 0 | 0 | 0 | 111.6 | S894 L898 | S894-L896 PolarHBondContact O-N 3.32Å; L896-L898 PolarHBondContact O-N 3.49Å |
| 897 | S | 23.9 | Very low | 24 | Very low | 100 Ų | 100 | 132.8 Ų | 132.8 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | | | trans | -75.2 | 90.7 | 170.3 | -64.4 | 0 | 0 | 0 | 0 | 109.3 | V895 N899 | V895-S897 PolarHBondContact O-N 3.04Å; S897-N899 VanDerWaalsContact C-N 3.31Å; S897-N899 PolarHBondContact O-N 3.42Å |
| 898 | L | 22.9 | Very low | 24.1 | Very low | 166 Ų | 166 | 132.1 Ų | 132.1 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | | | trans | -71.5 | 89.6 | 169.2 | -81.2 | 168.3 | 0 | 0 | 0 | 109.3 | L896 S900 | L896-L898 PolarHBondContact O-N 3.49Å; L898-S900 PolarHBondContact O-N 3.05Å |
| 899 | N | 24.6 | Very low | 24.1 | Very low | 144 Ų | 144 | 130.7 Ų | 130.7 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | | | trans | -58.8 | 100.9 | 170.1 | -74.3 | -22.7 | 0 | 0 | 0 | 109.8 | S897 S901 | S897-N899 VanDerWaalsContact C-N 3.31Å; S897-N899 PolarHBondContact O-N 3.42Å; N899-S901 PolarHBondContact O-N 3.17Å |
| 900 | S | 25.3 | Very low | 24 | Very low | 109 Ų | 109 | 133.2 Ų | 133.2 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | | | trans | -72.9 | 94.4 | 168 | 56.2 | 0 | 0 | 0 | 0 | 109.1 | L898 L902 | L898-S900 PolarHBondContact O-N 3.05Å; S900-L902 PolarHBondContact O-N 3.27Å |
| 901 | S | 24.4 | Very low | 23.9 | Very low | 113 Ų | 113 | 130 Ų | 130 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | | | trans | -64.9 | 80.3 | 172.7 | -56.2 | 0 | 0 | 0 | 0 | 111.1 | N899 S903 | N899-S901 PolarHBondContact O-N 3.17Å; S901-S903 PolarHBondContact O-N 3.17Å |
| 902 | L | 23.2 | Very low | 24 | Very low | 166 Ų | 166 | 131.3 Ų | 131.3 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | | | trans | -90.4 | 97.6 | 172.5 | -169.9 | 66 | 0 | 0 | 0 | 109 | S900 T904 | S900-L902 PolarHBondContact O-N 3.27Å; L902-T904 PolarHBondContact O-N 3.44Å; L902-T904 VanDerWaalsContact O-N 3.13Å |
| 903 | S | 23.3 | Very low | 23.9 | Very low | 101 Ų | 101 | 130.5 Ų | 130.5 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | | | trans | -62.6 | 112.4 | 177.6 | -60.9 | 0 | 0 | 0 | 0 | 111.6 | S901 A905 | S901-S903 PolarHBondContact O-N 3.17Å; S903-A905 PolarHBondContact O-N 3.2Å; S903-A905 VanDerWaalsContact O-N 3.08Å |
| 904 | T | 23.2 | Very low | 23.9 | Very low | 138 Ų | 138 | 129.6 Ų | 129.6 | 85% | 0.847 | 78% | 0.784 | S | S | * | * | | | trans | 14.1 | 84.4 | 137.2 | 41.4 | 0 | 0 | 0 | 0 | 116.6 | L902 | L902-T904 PolarHBondContact O-N 3.44Å; L902-T904 VanDerWaalsContact O-N 3.13Å |
| 905 | A | 23.6 | Very low | 23.9 | Very low | 98 Ų | 98 | 131.1 Ų | 131.1 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | | | trans | -78.2 | 114 | 148.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | S903 E907 | S903-A905 PolarHBondContact O-N 3.2Å; S903-A905 VanDerWaalsContact O-N 3.08Å; A905-E907 PolarHBondContact O-N 2.94Å |
| 906 | S | 24 | Very low | 23.6 | Very low | 116 Ų | 116 | 133.5 Ų | 133.5 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | | | trans | -61.9 | 132.9 | -175.6 | -170.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 907 | E | 23.3 | Very low | 23.4 | Very low | 189 Ų | 189 | 131.8 Ų | 131.8 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | | | trans | -62.8 | 135.9 | 166.4 | -62.7 | 178.1 | 141.2 | 0 | 0 | 109.9 | A905 | A905-E907 PolarHBondContact O-N 2.94Š|
| 908 | A | 24.5 | Very low | 23.4 | Very low | 88 Ų | 88 | 132.6 Ų | 132.6 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | trans | -146.5 | 84.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 909 | S | 22.3 | Very low | 23.4 | Very low | 95 Ų | 95 | 130.4 Ų | 130.4 | 66% | 0.664 | 78% | 0.778 | S | S | * | * | | | trans | 79.8 | 143.7 | 143.1 | 68.4 | 0 | 0 | 0 | 0 | 122.1 | | |
| 910 | F | 24.2 | Very low | 23.3 | Very low | 191 Ų | 191 | 131.3 Ų | 131.3 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | | | trans | 79.9 | 75.7 | 164.3 | -52.2 | -62.1 | 0 | 0 | 0 | 119.2 | | |
| 911 | S | 21.6 | Very low | 23.3 | Very low | 112 Ų | 112 | 129.6 Ų | 129.6 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | | | trans | -60.8 | 135.4 | 145.2 | 52.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 912 | L | 26.7 | Very low | 23.2 | Very low | 164 Ų | 164 | 130.3 Ų | 130.3 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | | | trans | -149.4 | 101.5 | 153.9 | -133.5 | 124.5 | 0 | 0 | 0 | 113 | | |
| 913 | L | 24.1 | Very low | 23.4 | Very low | 148 Ų | 148 | 130.4 Ų | 130.4 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | | | trans | 44.2 | 97.4 | 140.8 | -130.5 | 64.1 | 0 | 0 | 0 | 119.5 | | |
| 914 | S | 23.4 | Very low | 23.3 | Very low | 83 Ų | 83 | 131 Ų | 131 | 58% | 0.58 | 78% | 0.783 | S | S | * | * | | | | 2 | 125.5 | 119.3 | 60.1 | 0 | 0 | 0 | 0 | 118.9 | | |
| 915 | N | 23.3 | Very low | 23.7 | Very low | 153 Ų | 153 | 132.1 Ų | 132.1 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | | 164.7 | 140.3 | 113.7 | -85.2 | -20.3 | 0 | 0 | 0 | 111.8 | | |
| 916 | M | 19.4 | Very low | 23.6 | Very low | 168 Ų | 168 | 133.3 Ų | 133.3 | 83% | 0.828 | 78% | 0.781 | S | S | * | * | | | trans | -69.3 | 172.6 | 168.6 | -79.4 | 160.5 | 43.5 | 0 | 0 | 111.9 | | |
| 917 | T | 20.5 | Very low | 23.6 | Very low | 125 Ų | 125 | 135.7 Ų | 135.7 | 77% | 0.767 | 78% | 0.784 | S | S | * | * | | | trans | 77.3 | 128.4 | 177.1 | 71.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 918 | T | 23.6 | Very low | 23.6 | Very low | 118 Ų | 118 | 131.8 Ų | 131.8 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | | | cis | -158.3 | 158.6 | 18.3 | -12.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 919 | T | 22.5 | Very low | 23.5 | Very low | 120 Ų | 120 | 137.2 Ų | 137.2 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | | | trans | 53.6 | 115.2 | 151.5 | 52.4 | 0 | 0 | 0 | 0 | 122.4 | | |
| 920 | N | 22.7 | Very low | 23.7 | Very low | 162 Ų | 162 | 139 Ų | 139 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | | | trans | 37 | 91.2 | 134.6 | -64.5 | -1.5 | 0 | 0 | 0 | 119.4 | | |
| 921 | G | 25.5 | Very low | 23.8 | Very low | 74 Ų | 74 | 135.9 Ų | 135.9 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | | | trans | -123.1 | 99 | 158.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | L923 | G921-L923 PolarHBondContact O-N 2.81Š|
| 922 | T | 22 | Very low | 24 | Very low | 128 Ų | 128 | 135.9 Ų | 135.9 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | | | trans | -84.6 | 98.3 | 176.1 | -48.3 | 0 | 0 | 0 | 0 | 108.9 | | |
| 923 | L | 27.8 | Very low | 23.9 | Very low | 167 Ų | 167 | 134.5 Ų | 134.5 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | | | trans | -115.4 | 90.5 | 168.3 | -74.4 | 176.3 | 0 | 0 | 0 | 109.8 | G921 | G921-L923 PolarHBondContact O-N 2.81Š|
| 924 | T | 22 | Very low | 24.1 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | | | trans | -63.6 | 125.5 | 148.3 | 46.8 | 0 | 0 | 0 | 0 | 108.1 | | |
| 925 | D | 29.9 | Very low | 24.1 | Very low | 162 Ų | 162 | 141.2 Ų | 141.2 | 87% | 0.866 | 80% | 0.803 | S | S | * | * | | | trans | -162.4 | 152.7 | 140.2 | -103 | -27.9 | 0 | 0 | 0 | 113.2 | | |
| 926 | T | 23.3 | Very low | 24 | Very low | 123 Ų | 123 | 142 Ų | 142 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | | | trans | -112.1 | 116.8 | -169.1 | -62.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 927 | L | 24 | Very low | 24.2 | Very low | 165 Ų | 165 | 138.5 Ų | 138.5 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | | | trans | -134.9 | 94.7 | 169.8 | -77.7 | 168.9 | 0 | 0 | 0 | 108.7 | | |
| 928 | V | 23.2 | Very low | 24.4 | Very low | 108 Ų | 108 | 138.6 Ų | 138.6 | 66% | 0.655 | 80% | 0.798 | S | S | * | * | | | | 72.8 | 106.5 | 85.2 | 174.6 | 0 | 0 | 0 | 0 | 112.2 | T930 | V928-T930 PolarHBondContact O-N 3.05Š|
| 929 | F | 22 | Very low | 24.6 | Very low | 201 Ų | 201 | 140.6 Ų | 140.6 | 88% | 0.882 | 80% | 0.803 | S | S | * | * | | | trans | -66.9 | 120 | 171.8 | -81.5 | -105.7 | 0 | 0 | 0 | 110.9 | T931 | F929-T931 PolarHBondContact O-N 3.44Š|
| 930 | T | 26.5 | Very low | 24.6 | Very low | 132 Ų | 132 | 140.8 Ų | 140.8 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | | | trans | -86.8 | 105.3 | 166.5 | 49.9 | 0 | 0 | 0 | 0 | 110.6 | V928 S932 | V928-T930 PolarHBondContact O-N 3.05Å; T930-S932 PolarHBondContact O-N 2.97Å |
| 931 | T | 25.4 | Very low | 24.6 | Very low | 126 Ų | 126 | 139.6 Ų | 139.6 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | | | trans | -76.2 | 99.2 | 171.4 | 50.2 | 0 | 0 | 0 | 0 | 110.8 | F929 V933 | F929-T931 PolarHBondContact O-N 3.44Å; T931-V933 PolarHBondContact O-N 3.1Å |
| 932 | S | 27.3 | Very low | 24.6 | Very low | 112 Ų | 112 | 142 Ų | 142 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | | | trans | -84.1 | 102.6 | 167.2 | 53.6 | 0 | 0 | 0 | 0 | 110.4 | T930 M934 | T930-S932 PolarHBondContact O-N 2.97Å; S932-M934 PolarHBondContact O-N 3.1Å |
| 933 | V | 23 | Very low | 24.7 | Very low | 135 Ų | 135 | 144.7 Ų | 144.7 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | trans | -73.7 | 103.5 | 173.1 | -178 | 0 | 0 | 0 | 0 | 108.4 | T931 | T931-V933 PolarHBondContact O-N 3.1Š|
| 934 | M | 28.4 | Very low | 24.6 | Very low | 185 Ų | 185 | 142.2 Ų | 142.2 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -100 | 126.8 | 165.5 | -103.8 | -171.2 | 164.4 | 0 | 0 | 110.9 | S932 | S932-M934 PolarHBondContact O-N 3.1Š|
| 935 | Q | 24.1 | Very low | 24.8 | Very low | 188 Ų | 188 | 142.6 Ų | 142.6 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 138.2 | -161.9 | -163.6 | 169.9 | 0.1 | 0 | 0 | 111.5 | | |
| 936 | M | 20.7 | Very low | 24.7 | Very low | 169 Ų | 169 | 142.3 Ų | 142.3 | 83% | 0.833 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 126.4 | -176.9 | -73.3 | -101.3 | 60.9 | 0 | 0 | 112.4 | | |
| 937 | S | 25 | Very low | 24.9 | Very low | 94 Ų | 94 | 144.2 Ų | 144.2 | 66% | 0.657 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 124.9 | 159.2 | -68.4 | 0 | 0 | 0 | 0 | 109.5 | I939 | S937-I939 PolarHBondContact O-N 3.49Š|
| 938 | P | 23.2 | Very low | 25.1 | Very low | 127 Ų | 127 | 143.7 Ų | 143.7 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | | | trans | -77.6 | 111.3 | 178.9 | 30.1 | -32.2 | 0 | 0 | 0 | 110.5 | | |
| 939 | I | 28.3 | Very low | 25.3 | Very low | 161 Ų | 161 | 145.7 Ų | 145.7 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -102.6 | 132 | 170.2 | -61.9 | 179.7 | 0 | 0 | 0 | 109 | S937 | S937-I939 PolarHBondContact O-N 3.49Š|
| 940 | T | 22.7 | Very low | 26 | Very low | 123 Ų | 123 | 141.6 Ų | 141.6 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 141.5 | -169.9 | -21 | 0 | 0 | 0 | 0 | 112.8 | T942 | T940-T942 PolarHBondContact O-N 3.03Š|
| 941 | T | 21.8 | Very low | 26.3 | Very low | 137 Ų | 137 | 139.5 Ų | 139.5 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 121.9 | 174.3 | 33 | 0 | 0 | 0 | 0 | 113.1 | | |
| 942 | T | 26.3 | Very low | 26.7 | Very low | 124 Ų | 124 | 140.2 Ų | 140.2 | 76% | 0.761 | 79% | 0.792 | S | S | * | * | | | trans | -125.7 | 134.9 | 159.7 | -48.6 | 0 | 0 | 0 | 0 | 108.7 | T940 S944 | T940-T942 PolarHBondContact O-N 3.03Å; T942-S944 PolarHBondContact O-N 2.94Å |
| 943 | H | 24.8 | Very low | 27.1 | Very low | 185 Ų | 185 | 139 Ų | 139 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | | | trans | -56.1 | 117.4 | -163.9 | -66.6 | -95.6 | 0 | 0 | 0 | 115.2 | | |
| 944 | S | 24.1 | Very low | 27.8 | Very low | 116 Ų | 116 | 138 Ų | 138 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | | | trans | -111.7 | 79.8 | 174.1 | 48.5 | 0 | 0 | 0 | 0 | 111.9 | T942 | T942-S944 PolarHBondContact O-N 2.94Š|
| 945 | T | 26 | Very low | 28.4 | Very low | 121 Ų | 121 | 135 Ų | 135 | 74% | 0.742 | 76% | 0.761 | S | S | * | * | | | trans | -122.4 | 62.1 | 172.3 | 55.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 946 | N | 28.5 | Very low | 29.2 | Very low | 157 Ų | 157 | 129.9 Ų | 129.9 | 84% | 0.84 | 75% | 0.746 | S | S | * | * | | | trans | -167 | 88 | 168.4 | -94 | -30.1 | 0 | 0 | 0 | 110.1 | | |
| 947 | L | 27.9 | Very low | 30.2 | Very low | 163 Ų | 163 | 126.7 Ų | 126.7 | 85% | 0.853 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -165.6 | -11.4 | 155.4 | -134.4 | 75.2 | 0 | 0 | 0 | 116.7 | | |
| 948 | I | 27.2 | Very low | 31.3 | Very low | 153 Ų | 153 | 126.4 Ų | 126.4 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -89.5 | -14.6 | -170.8 | -64.7 | 177.7 | 0 | 0 | 0 | 114.3 | T950 | I948-T950 PolarHBondContact O-N 2.91Š|
| 949 | N | 29.1 | Very low | 32.8 | Very low | 151 Ų | 151 | 125 Ų | 125 | 81% | 0.807 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | 5.2 | -168.4 | -91.9 | 3.8 | 0 | 0 | 0 | 117.2 | | |
| 950 | T | 35.8 | Very low | 34 | Very low | 115 Ų | 115 | 122.1 Ų | 122.1 | 71% | 0.706 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.3 | -15 | -172.8 | 43.2 | 0 | 0 | 0 | 0 | 116.3 | I948 | I948-T950 PolarHBondContact O-N 2.91Š|
| 951 | S | 32.6 | Very low | 35.9 | Very low | 87 Ų | 87 | 120.5 Ų | 120.5 | 61% | 0.608 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -87.2 | -26.7 | -178.3 | 60 | 0 | 0 | 0 | 0 | 114.7 | | |
| 952 | L | 33.8 | Very low | 37.8 | Very low | 141 Ų | 141 | 119 Ų | 119 | 74% | 0.738 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -83.9 | -22.3 | -171.1 | -131.8 | 74.4 | 0 | 0 | 0 | 115 | S956 | L952-S956 PolarHBondContact O-OG 3.33Å |
| 953 | C | 35.5 | Very low | 39.4 | Very low | 88 Ų | 88 | 118.5 Ų | 118.5 | 60% | 0.595 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -76.6 | -31 | -175.9 | -77.8 | 0 | 0 | 0 | 0 | 114.2 | L957 | C953-L957 PolarHBondContact O-N 3.46Å |
| 954 | N | 38.9 | Very low | 41.2 | Very low | 114 Ų | 114 | 115.3 Ų | 115.3 | 61% | 0.61 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -72.8 | -39.4 | -171.3 | -73.3 | -6.2 | 0 | 0 | 0 | 113.3 | S956 L957 T958 | N954-S956 VanDerWaalsContact C-N 3.34Å; N954-S956 PolarHBondContact O-N 2.82Å; N954-L957 PolarHBondContact O-N 3.07Å; N954-T958 PolarHBondContact O-N 3.13Å; N954-T958 PolarHBondContact O-OG1 3.22Å |
| 955 | N | 39.2 | Very low | 42.8 | Very low | 121 Ų | 121 | 113.2 Ų | 113.2 | 65% | 0.647 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -69.2 | -32.6 | 178.8 | -69 | -2.8 | 0 | 0 | 0 | 112.2 | L957 T958 V959 | N955-L957 VanDerWaalsContact C-N 3.34Å; N955-L957 PolarHBondContact O-N 2.97Å; N955-T958 PolarHBondContact O-OG1 2.96Å; N955-V959 WeakPolarHBondContact O-CG2 3.47Å; N955-V959 PolarHBondContact O-N 3.46Å |
| 956 | S | 41.4 | Very low | 44.3 | Very low | 81 Ų | 81 | 113.2 Ų | 113.2 | 57% | 0.566 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -67.2 | -36.2 | 178.9 | -57.4 | 0 | 0 | 0 | 0 | 112 | L952 N954 L960 | L952-S956 PolarHBondContact O-OG 3.33Å; N954-S956 VanDerWaalsContact C-N 3.34Å; N954-S956 PolarHBondContact O-N 2.82Å; S956-L960 PolarHBondContact O-N 2.89Å |
| 957 | L | 42.8 | Very low | 45.3 | Very low | 102 Ų | 102 | 109.4 Ų | 109.4 | 53% | 0.534 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -75.5 | -34.4 | -177.9 | -167.6 | 66.1 | 0 | 0 | 0 | 112.7 | C953 N954 N955 L960 N961 | C953-L957 PolarHBondContact O-N 3.46Å; N954-L957 PolarHBondContact O-N 3.07Å; N955-L957 VanDerWaalsContact C-N 3.34Å; N955-L957 PolarHBondContact O-N 2.97Å; L957-L960 PolarHBondContact O-N 3.29Å; L957-N961 PolarHBondContact O-N 2.95Å; L957-N961 VanDerWaalsContact O-N 3.09Å |
| 958 | T | 48.3 | Very low | 46.5 | Very low | 88 Ų | 88 | 106.8 Ų | 106.8 | 54% | 0.54 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.1 | -46.5 | 175.6 | 12.9 | 0 | 0 | 0 | 0 | 111.4 | N954 N955 L960 N961 E962 | N954-T958 PolarHBondContact O-N 3.13Å; N954-T958 PolarHBondContact O-OG1 3.22Å; N955-T958 PolarHBondContact O-OG1 2.96Å; T958-L960 VanDerWaalsContact C-N 3.3Å; T958-L960 PolarHBondContact O-N 3.08Å; T958-N961 PolarHBondContact O-N 3.09Å; T958-E962 PolarHBondContact O-N 3.33Å |
| 959 | V | 53.4 | Low | 48 | Very low | 96 Ų | 96 | 106.4 Ų | 106.4 | 58% | 0.582 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -59 | -41.2 | 176.2 | 175.1 | 0 | 0 | 0 | 0 | 111.5 | N955 E962 L963 | N955-V959 WeakPolarHBondContact O-CG2 3.47Å; N955-V959 PolarHBondContact O-N 3.46Å; V959-E962 PolarHBondContact O-N 2.98Å; V959-L963 WeakPolarHBondContact O-CB 3.41Å; V959-L963 PolarHBondContact O-N 2.94Å |
| 960 | L | 54.4 | Low | 49.4 | Very low | 102 Ų | 102 | 106 Ų | 106 | 53% | 0.534 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.3 | -42.7 | 178.2 | -156 | 86.9 | 0 | 0 | 0 | 112.4 | S956 L957 T958 L963 M964 | S956-L960 PolarHBondContact O-N 2.89Å; L957-L960 PolarHBondContact O-N 3.29Å; T958-L960 VanDerWaalsContact C-N 3.3Å; T958-L960 PolarHBondContact O-N 3.08Å; L960-L963 PolarHBondContact O-N 3.29Å; L960-M964 WeakPolarHBondContact O-CB 3.4Å; L960-M964 WeakPolarHBondContact O-CG 3.48Å; L960-M964 PolarHBondContact O-N 2.99Å |
| 961 | N | 62.5 | Low | 50.3 | Low | 89 Ų | 89 | 105 Ų | 105 | 48% | 0.476 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.9 | -37.2 | 177.4 | -78.4 | -17.2 | 0 | 0 | 0 | 112.4 | L957 T958 M964 S965 | L957-N961 PolarHBondContact O-N 2.95Å; L957-N961 VanDerWaalsContact O-N 3.09Å; T958-N961 PolarHBondContact O-N 3.09Å; N961-M964 PolarHBondContact O-N 3.39Å; N961-S965 WeakPolarHBondContact O-CB 3.33Å; N961-S965 PolarHBondContact O-N 3.38Å; N961-S965 PolarHBondContact O-OG 3.44Å |
| 962 | E | 60.9 | Low | 51.4 | Low | 104 Ų | 104 | 107.2 Ų | 107.2 | 49% | 0.486 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.6 | -40.9 | 176.4 | -154.8 | -166 | 146.3 | 0 | 0 | 111.3 | T958 V959 S965 K966 | T958-E962 PolarHBondContact O-N 3.33Å; V959-E962 PolarHBondContact O-N 2.98Å; E962-S965 PolarHBondContact O-N 3.15Å; E962-K966 WeakPolarHBondContact O-CG 3.42Å; E962-K966 PolarHBondContact O-N 3.31Å; E962-K966 WeakPolarHBondContact OE1-CE 3.46Å; E962-K966 IonicContact OE1-NZ 2.68Å; E962-K966 PolarHBondContact OE1-NZ 3.11Å |
| 963 | L | 60.6 | Low | 52.9 | Low | 114 Ų | 114 | 103.7 Ų | 103.7 | 60% | 0.597 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.2 | -43.9 | 175 | -157.4 | 85.4 | 0 | 0 | 0 | 111.9 | V959 L960 K966 T967 | V959-L963 WeakPolarHBondContact O-CB 3.41Å; V959-L963 PolarHBondContact O-N 2.94Å; L960-L963 PolarHBondContact O-N 3.29Å; L963-K966 PolarHBondContact O-N 3.47Å; L963-T967 WeakPolarHBondContact O-CB 3.39Å; L963-T967 PolarHBondContact O-N 2.77Å; L963-T967 PolarHBondContact O-OG1 3.09Å |
| 964 | M | 62.1 | Low | 53.7 | Low | 118 Ų | 118 | 101.7 Ų | 101.7 | 58% | 0.581 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62 | -42.5 | 175.4 | -73.1 | -98.6 | -79.8 | 0 | 0 | 111.7 | L960 N961 T967 L968 | L960-M964 WeakPolarHBondContact O-CB 3.4Å; L960-M964 WeakPolarHBondContact O-CG 3.48Å; L960-M964 PolarHBondContact O-N 2.99Å; N961-M964 PolarHBondContact O-N 3.39Å; M964-T967 PolarHBondContact O-N 2.99Å; M964-L968 PolarHBondContact O-N 3.06Å |
| 965 | S | 57.8 | Low | 54.9 | Low | 73 Ų | 73 | 103 Ų | 103 | 51% | 0.51 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.2 | -46.5 | 178.3 | -58.2 | 0 | 0 | 0 | 0 | 112 | N961 E962 T967 L968 Q969 | N961-S965 WeakPolarHBondContact O-CB 3.33Å; N961-S965 PolarHBondContact O-N 3.38Å; N961-S965 PolarHBondContact O-OG 3.44Å; E962-S965 PolarHBondContact O-N 3.15Å; S965-T967 VanDerWaalsContact C-N 3.3Å; S965-T967 PolarHBondContact O-N 3.3Å; S965-L968 PolarHBondContact O-N 2.96Å; S965-Q969 PolarHBondContact O-N 3.4Å |
| 966 | K | 58.3 | Low | 56.1 | Low | 120 Ų | 120 | 100.3 Ų | 100.3 | 52% | 0.522 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.5 | -38.8 | 174.3 | -74.3 | 168.6 | 173.3 | 169.8 | 0 | 111.9 | E962 L963 Q969 F970 | E962-K966 WeakPolarHBondContact O-CG 3.42Å; E962-K966 PolarHBondContact O-N 3.31Å; E962-K966 WeakPolarHBondContact OE1-CE 3.46Å; E962-K966 IonicContact OE1-NZ 2.68Å; E962-K966 PolarHBondContact OE1-NZ 3.11Å; L963-K966 PolarHBondContact O-N 3.47Å; K966-Q969 PolarHBondContact O-N 3.24Å; K966-F970 PolarHBondContact O-N 3.39Å |
| 967 | T | 49 | Very low | 57.4 | Low | 78 Ų | 78 | 100.3 Ų | 100.3 | 48% | 0.479 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.6 | -40.5 | 177 | -55.4 | 0 | 0 | 0 | 0 | 112.1 | L963 M964 S965 N971 | L963-T967 WeakPolarHBondContact O-CB 3.39Å; L963-T967 PolarHBondContact O-N 2.77Å; L963-T967 PolarHBondContact O-OG1 3.09Å; M964-T967 PolarHBondContact O-N 2.99Å; S965-T967 VanDerWaalsContact C-N 3.3Å; S965-T967 PolarHBondContact O-N 3.3Å; T967-N971 PolarHBondContact O-N 3.15Å; T967-N971 PolarHBondContact O-ND2 2.88Å |
| 968 | L | 53.1 | Low | 58.9 | Low | 108 Ų | 108 | 99.9 Ų | 99.9 | 57% | 0.565 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.2 | -43.4 | 174 | -82.8 | 162.6 | 0 | 0 | 0 | 111.9 | M964 S965 F970 N971 H972 | M964-L968 PolarHBondContact O-N 3.06Å; S965-L968 PolarHBondContact O-N 2.96Å; L968-F970 PolarHBondContact O-N 3.14Å; L968-N971 PolarHBondContact O-N 3.35Å; L968-H972 PolarHBondContact O-CD2 3.15Å; L968-H972 VanDerWaalsContact O-CD2 3.25Å; L968-H972 PolarHBondContact O-N 3.25Å; L968-H972 VanDerWaalsContact O-N 3.1Å |
| 969 | Q | 59.5 | Low | 59.6 | Low | 145 Ų | 145 | 100 Ų | 100 | 68% | 0.678 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.8 | -40.8 | 179.8 | -154.1 | 174.4 | 27.1 | 0 | 0 | 112.1 | S965 K966 N971 H972 S973 | S965-Q969 PolarHBondContact O-N 3.4Å; K966-Q969 PolarHBondContact O-N 3.24Å; Q969-N971 PolarHBondContact O-N 3.48Å; Q969-H972 PolarHBondContact O-N 3.01Å; Q969-S973 PolarHBondContact O-N 3.18Å |
| 970 | F | 57.6 | Low | 60.6 | Low | 143 Ų | 143 | 101.8 Ų | 101.8 | 63% | 0.627 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.2 | -42.1 | 174.4 | -174 | -96.4 | 0 | 0 | 0 | 112.8 | K966 L968 H972 S973 T974 | K966-F970 PolarHBondContact O-N 3.39Å; L968-F970 PolarHBondContact O-N 3.14Å; F970-H972 PolarHBondContact O-N 3.25Å; F970-S973 PolarHBondContact O-N 3.38Å; F970-T974 HydrophobicContact CD1-CG2 4.38Å; F970-T974 HydrophobicContact CE1-CG2 3.89Å; F970-T974 HydrophobicContact CZ-CG2 4.05Å; F970-T974 PolarHBondContact O-N 2.88Å; F970-T974 PolarHBondContact O-OG1 2.97Å |
| 971 | N | 53.7 | Low | 61.7 | Low | 92 Ų | 92 | 101.1 Ų | 101.1 | 49% | 0.492 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.8 | -36.9 | 176.7 | -80.1 | -72.8 | 0 | 0 | 0 | 112.6 | T967 L968 Q969 T974 K975 | T967-N971 PolarHBondContact O-N 3.15Å; T967-N971 PolarHBondContact O-ND2 2.88Å; L968-N971 PolarHBondContact O-N 3.35Å; Q969-N971 PolarHBondContact O-N 3.48Å; N971-T974 WeakPolarHBondContact CA-OG1 3.49Å; N971-T974 PolarHBondContact O-OG1 3.13Å; N971-T974 VanDerWaalsContact O-OG1 3.08Å; N971-K975 WeakPolarHBondContact O-CB 3.34Å; N971-K975 PolarHBondContact O-N 3.31Å |
| 972 | H | 57.6 | Low | 62.1 | Low | 135 Ų | 135 | 100.6 Ų | 100.6 | 63% | 0.625 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.4 | -41.3 | 173.9 | -78.6 | -68.7 | 0 | 0 | 0 | 112.3 | L968 Q969 F970 K975 S976 | L968-H972 PolarHBondContact O-CD2 3.15Å; L968-H972 VanDerWaalsContact O-CD2 3.25Å; L968-H972 PolarHBondContact O-N 3.25Å; L968-H972 VanDerWaalsContact O-N 3.1Å; Q969-H972 PolarHBondContact O-N 3.01Å; F970-H972 PolarHBondContact O-N 3.25Å; H972-K975 PolarHBondContact O-N 3.49Å; H972-S976 PolarHBondContact O-N 2.93Å |
| 973 | S | 63.4 | Low | 62.5 | Low | 66 Ų | 66 | 103.4 Ų | 103.4 | 46% | 0.462 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.5 | -49.9 | 177.3 | -172.6 | 0 | 0 | 0 | 0 | 112 | Q969 F970 K975 S976 I977 | Q969-S973 PolarHBondContact O-N 3.18Å; F970-S973 PolarHBondContact O-N 3.38Å; S973-K975 VanDerWaalsContact C-N 3.32Å; S973-K975 PolarHBondContact O-N 3.02Å; S973-S976 WeakPolarHBondContact O-CB 3.42Å; S973-S976 PolarHBondContact O-N 3.46Å; S973-S976 VanDerWaalsContact O-N 3.07Å; S973-I977 WeakPolarHBondContact O-CG1 3.31Å; S973-I977 PolarHBondContact O-N 3.25Å |
| 974 | T | 52.9 | Low | 62.7 | Low | 47 Ų | 47 | 100.7 Ų | 100.7 | 29% | 0.288 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.8 | -40.1 | 176.9 | 40.9 | 0 | 0 | 0 | 0 | 112.7 | F970 N971 S976 I977 I978 | F970-T974 HydrophobicContact CD1-CG2 4.38Å; F970-T974 HydrophobicContact CE1-CG2 3.89Å; F970-T974 HydrophobicContact CZ-CG2 4.05Å; F970-T974 PolarHBondContact O-N 2.88Å; F970-T974 PolarHBondContact O-OG1 2.97Å; N971-T974 WeakPolarHBondContact CA-OG1 3.49Å; N971-T974 PolarHBondContact O-OG1 3.13Å; N971-T974 VanDerWaalsContact O-OG1 3.08Å; T974-S976 VanDerWaalsContact C-N 3.34Å; T974-S976 PolarHBondContact O-N 3.26Å; T974-I977 PolarHBondContact O-N 3.43Å; T974-I978 WeakPolarHBondContact O-CG1 3.3Å; T974-I978 PolarHBondContact O-N 3.1Å |
| 975 | K | 65.3 | Low | 63 | Low | 141 Ų | 141 | 98.5 Ų | 98.5 | 61% | 0.613 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.7 | -33.4 | 175.9 | -162.4 | 173.7 | -174.4 | 179.8 | 0 | 113.1 | N971 H972 S973 N979 | N971-K975 WeakPolarHBondContact O-CB 3.34Å; N971-K975 PolarHBondContact O-N 3.31Å; H972-K975 PolarHBondContact O-N 3.49Å; S973-K975 VanDerWaalsContact C-N 3.32Å; S973-K975 PolarHBondContact O-N 3.02Å; K975-N979 WeakPolarHBondContact O-CB 3.38Å; K975-N979 PolarHBondContact O-N 3.29Å |
| 976 | S | 63.6 | Low | 63.5 | Low | 64 Ų | 64 | 100.4 Ų | 100.4 | 45% | 0.448 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.4 | -44.2 | 172.5 | -172.1 | 0 | 0 | 0 | 0 | 111.8 | H972 S973 T974 N979 K980 | H972-S976 PolarHBondContact O-N 2.93Å; S973-S976 WeakPolarHBondContact O-CB 3.42Å; S973-S976 PolarHBondContact O-N 3.46Å; S973-S976 VanDerWaalsContact O-N 3.07Å; T974-S976 VanDerWaalsContact C-N 3.34Å; T974-S976 PolarHBondContact O-N 3.26Å; S976-N979 PolarHBondContact O-N 3.23Å; S976-K980 PolarHBondContact O-N 3.48Å |
| 977 | I | 69.6 | Low | 64 | Low | 81 Ų | 81 | 98.7 Ų | 98.7 | 42% | 0.415 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.2 | -46.6 | 178.4 | -66.3 | 165.7 | 0 | 0 | 0 | 111.1 | S973 T974 N979 K980 I981 | S973-I977 WeakPolarHBondContact O-CG1 3.31Å; S973-I977 PolarHBondContact O-N 3.25Å; T974-I977 PolarHBondContact O-N 3.43Å; I977-N979 PolarHBondContact O-N 3.13Å; I977-K980 WeakPolarHBondContact O-CB 3.43Å; I977-K980 PolarHBondContact O-N 2.79Å; I977-K980 VanDerWaalsContact O-N 3.1Å; I977-I981 HydrophobicContact CG2-CD1 3.84Å; I977-I981 HydrophobicContact CG2-CG1 4.48Å; I977-I981 WeakPolarHBondContact O-CG1 3.24Å; I977-I981 PolarHBondContact O-N 3.26Å |
| 978 | I | 72.2 | Confident | 64.8 | Low | 93 Ų | 93 | 100.4 Ų | 100.4 | 48% | 0.477 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.1 | -48.2 | 176.9 | -68 | 164.1 | 0 | 0 | 0 | 110.6 | T974 K980 I981 D982 | T974-I978 WeakPolarHBondContact O-CG1 3.3Å; T974-I978 PolarHBondContact O-N 3.1Å; I978-K980 VanDerWaalsContact C-N 3.25Å; I978-K980 PolarHBondContact O-N 3.03Å; I978-I981 PolarHBondContact O-N 3.4Å; I978-I981 VanDerWaalsContact O-N 3.1Å; I978-D982 PolarHBondContact O-N 3.36Å |
| 979 | N | 64.3 | Low | 65.4 | Low | 92 Ų | 92 | 100.5 Ų | 100.5 | 49% | 0.492 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61 | -29.3 | 176.8 | -78.3 | -6.1 | 0 | 0 | 0 | 113.8 | K975 S976 I977 K983 | K975-N979 WeakPolarHBondContact O-CB 3.38Å; K975-N979 PolarHBondContact O-N 3.29Å; S976-N979 PolarHBondContact O-N 3.23Å; I977-N979 PolarHBondContact O-N 3.13Å; N979-K983 WeakPolarHBondContact O-CG 3.38Å; N979-K983 PolarHBondContact O-N 2.99Å |
| 980 | K | 75.1 | Confident | 66 | Low | 132 Ų | 132 | 96.3 Ų | 96.3 | 57% | 0.574 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -73.2 | -42.7 | 172.9 | -76.8 | -174.6 | 176.3 | -173.9 | 0 | 111.5 | S976 I977 I978 K983 S984 | S976-K980 PolarHBondContact O-N 3.48Å; I977-K980 WeakPolarHBondContact O-CB 3.43Å; I977-K980 PolarHBondContact O-N 2.79Å; I977-K980 VanDerWaalsContact O-N 3.1Å; I978-K980 VanDerWaalsContact C-N 3.25Å; I978-K980 PolarHBondContact O-N 3.03Å; K980-K983 PolarHBondContact O-N 3.45Å; K980-S984 PolarHBondContact O-N 3.26Å; K980-S984 VanDerWaalsContact O-N 3.07Å |
| 981 | I | 76 | Confident | 66.8 | Low | 88 Ų | 88 | 93.5 Ų | 93.5 | 45% | 0.451 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.4 | -46.9 | 178 | -68.1 | 168 | 0 | 0 | 0 | 110.6 | I977 I978 K983 S984 I985 | I977-I981 HydrophobicContact CG2-CD1 3.84Å; I977-I981 HydrophobicContact CG2-CG1 4.48Å; I977-I981 WeakPolarHBondContact O-CG1 3.24Å; I977-I981 PolarHBondContact O-N 3.26Å; I978-I981 PolarHBondContact O-N 3.4Å; I978-I981 VanDerWaalsContact O-N 3.1Å; I981-K983 VanDerWaalsContact C-N 3.31Å; I981-K983 PolarHBondContact O-N 3.29Å; I981-S984 WeakPolarHBondContact O-CA 3.43Å; I981-S984 VanDerWaalsContact O-CB 3.28Å; I981-S984 WeakPolarHBondContact O-CB 3.25Å; I981-S984 PolarHBondContact O-N 2.98Å; I981-I985 HydrophobicContact CG2-CD1 3.78Å; I981-I985 HydrophobicContact CG2-CG1 4.42Å; I981-I985 WeakPolarHBondContact O-CG1 3.43Å; I981-I985 PolarHBondContact O-N 2.59Å |
| 982 | D | 72.1 | Confident | 67.6 | Low | 79 Ų | 79 | 93.4 Ų | 93.4 | 42% | 0.422 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.9 | -40.4 | 179.3 | -70.3 | -22.9 | 0 | 0 | 0 | 111.9 | I978 S984 I985 I986 | I978-D982 PolarHBondContact O-N 3.36Å; D982-S984 VanDerWaalsContact C-N 3.34Å; D982-S984 PolarHBondContact O-N 3.49Å; D982-I985 PolarHBondContact O-N 3.08Å; D982-I986 WeakPolarHBondContact O-CG1 3.46Å; D982-I986 PolarHBondContact O-N 3.46Å |
| 983 | K | 68.2 | Low | 68.3 | Low | 162 Ų | 162 | 91.8 Ų | 91.8 | 70% | 0.704 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -64.3 | -36.1 | 173.5 | -75.2 | -177.9 | 178.2 | -171.1 | 0 | 112.9 | N979 K980 I981 N987 | N979-K983 WeakPolarHBondContact O-CG 3.38Å; N979-K983 PolarHBondContact O-N 2.99Å; K980-K983 PolarHBondContact O-N 3.45Å; I981-K983 VanDerWaalsContact C-N 3.31Å; I981-K983 PolarHBondContact O-N 3.29Å; K983-N987 PolarHBondContact O-N 3.45Å |
| 984 | S | 64.4 | Low | 69.1 | Low | 57 Ų | 57 | 95.4 Ų | 95.4 | 40% | 0.399 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.5 | -46.3 | 175.7 | -163 | 0 | 0 | 0 | 0 | 111.9 | K980 I981 D982 I986 N987 E988 | K980-S984 PolarHBondContact O-N 3.26Å; K980-S984 VanDerWaalsContact O-N 3.07Å; I981-S984 WeakPolarHBondContact O-CA 3.43Å; I981-S984 VanDerWaalsContact O-CB 3.28Å; I981-S984 WeakPolarHBondContact O-CB 3.25Å; I981-S984 PolarHBondContact O-N 2.98Å; D982-S984 VanDerWaalsContact C-N 3.34Å; D982-S984 PolarHBondContact O-N 3.49Å; S984-I986 PolarHBondContact O-N 3.03Å; S984-N987 WeakPolarHBondContact O-CB 3.24Å; S984-N987 PolarHBondContact O-N 3.25Å; S984-N987 VanDerWaalsContact O-N 3.12Å; S984-E988 PolarHBondContact O-N 3.27Å |
| 985 | I | 68.7 | Low | 70.4 | Confident | 73 Ų | 73 | 97.6 Ų | 97.6 | 37% | 0.374 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.6 | -40.7 | -179.3 | -65.8 | 167.1 | 0 | 0 | 0 | 111.5 | I981 D982 N987 E988 Q989 | I981-I985 HydrophobicContact CG2-CD1 3.78Å; I981-I985 HydrophobicContact CG2-CG1 4.42Å; I981-I985 WeakPolarHBondContact O-CG1 3.43Å; I981-I985 PolarHBondContact O-N 2.59Å; D982-I985 PolarHBondContact O-N 3.08Å; I985-N987 VanDerWaalsContact C-N 3.29Å; I985-N987 PolarHBondContact O-N 3.13Å; I985-E988 PolarHBondContact O-N 3.06Å; I985-Q989 WeakPolarHBondContact O-CG 3.37Å; I985-Q989 PolarHBondContact O-N 2.96Å; I985-Q989 VanDerWaalsContact O-N 3.09Å |
| 986 | I | 68.7 | Low | 71 | Confident | 113 Ų | 113 | 94.5 Ų | 94.5 | 58% | 0.579 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.4 | -38 | 175.7 | -67 | 165.3 | 0 | 0 | 0 | 111 | D982 S984 S990 | D982-I986 WeakPolarHBondContact O-CG1 3.46Å; D982-I986 PolarHBondContact O-N 3.46Å; S984-I986 PolarHBondContact O-N 3.03Å; I986-S990 PolarHBondContact O-N 2.99Å |
| 987 | N | 69.9 | Low | 71.6 | Confident | 84 Ų | 84 | 96.7 Ų | 96.7 | 45% | 0.449 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -69.4 | -42.2 | 177.8 | -164.8 | 30.4 | 0 | 0 | 0 | 112.1 | K983 S984 I985 Q989 S990 I991 | K983-N987 PolarHBondContact O-N 3.45Å; S984-N987 WeakPolarHBondContact O-CB 3.24Å; S984-N987 PolarHBondContact O-N 3.25Å; S984-N987 VanDerWaalsContact O-N 3.12Å; I985-N987 VanDerWaalsContact C-N 3.29Å; I985-N987 PolarHBondContact O-N 3.13Å; N987-Q989 VanDerWaalsContact C-N 3.33Å; N987-Q989 PolarHBondContact O-N 2.93Å; N987-S990 WeakPolarHBondContact O-CB 3.37Å; N987-S990 PolarHBondContact O-N 3.25Å; N987-I991 WeakPolarHBondContact O-CG1 3.41Å; N987-I991 PolarHBondContact O-N 2.94Å |
| 988 | E | 64.6 | Low | 72 | Confident | 113 Ų | 113 | 97.8 Ų | 97.8 | 53% | 0.528 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.9 | -41.8 | 174.7 | -72.5 | -175.7 | 177.7 | 0 | 0 | 112.2 | S984 I985 S990 I991 I992 | S984-E988 PolarHBondContact O-N 3.27Å; I985-E988 PolarHBondContact O-N 3.06Å; E988-S990 VanDerWaalsContact C-N 3.33Å; E988-S990 PolarHBondContact O-N 3.12Å; E988-I991 PolarHBondContact O-N 2.79Å; E988-I991 VanDerWaalsContact O-N 3.16Å; E988-I992 WeakPolarHBondContact O-CG1 3.36Å; E988-I992 PolarHBondContact O-N 3.1Å |
| 989 | Q | 65.9 | Low | 71.9 | Confident | 110 Ų | 110 | 98.7 Ų | 98.7 | 51% | 0.514 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.6 | -36.2 | 177 | -71.7 | 172.4 | -1.8 | 0 | 0 | 112.3 | I985 N987 N993 | I985-Q989 WeakPolarHBondContact O-CG 3.37Å; I985-Q989 PolarHBondContact O-N 2.96Å; I985-Q989 VanDerWaalsContact O-N 3.09Å; N987-Q989 VanDerWaalsContact C-N 3.33Å; N987-Q989 PolarHBondContact O-N 2.93Å; Q989-N993 WeakPolarHBondContact O-CB 3.48Å; Q989-N993 VanDerWaalsContact O-CG 3.27Å; Q989-N993 PolarHBondContact O-N 2.84Å; Q989-N993 PolarHBondContact O-ND2 3.25Å |
| 990 | S | 71.9 | Confident | 72.2 | Confident | 57 Ų | 57 | 99.2 Ų | 99.2 | 40% | 0.399 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.8 | -42.7 | 171.1 | -177.2 | 0 | 0 | 0 | 0 | 112.2 | I986 N987 E988 N993 K994 | I986-S990 PolarHBondContact O-N 2.99Å; N987-S990 WeakPolarHBondContact O-CB 3.37Å; N987-S990 PolarHBondContact O-N 3.25Å; E988-S990 VanDerWaalsContact C-N 3.33Å; E988-S990 PolarHBondContact O-N 3.12Å; S990-N993 PolarHBondContact O-N 3.45Å; S990-K994 PolarHBondContact O-N 3.38Å; S990-K994 VanDerWaalsContact O-N 3.1Å |
| 991 | I | 74.8 | Confident | 72.1 | Confident | 85 Ų | 85 | 97.9 Ų | 97.9 | 44% | 0.436 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.9 | -46.1 | 177.7 | -66.5 | 165.5 | 0 | 0 | 0 | 111.2 | N987 E988 N993 K994 I995 | N987-I991 WeakPolarHBondContact O-CG1 3.41Å; N987-I991 PolarHBondContact O-N 2.94Å; E988-I991 PolarHBondContact O-N 2.79Å; E988-I991 VanDerWaalsContact O-N 3.16Å; I991-N993 VanDerWaalsContact C-N 3.32Å; I991-N993 PolarHBondContact O-N 3.38Å; I991-K994 PolarHBondContact O-N 3.46Å; I991-K994 VanDerWaalsContact O-N 3.17Å; I991-I995 HydrophobicContact CG2-CD1 3.85Å; I991-I995 HydrophobicContact CG2-CG1 4.48Å; I991-I995 WeakPolarHBondContact O-CG1 3.32Å; I991-I995 PolarHBondContact O-N 3.34Å |
| 992 | I | 71.1 | Confident | 71.6 | Confident | 90 Ų | 90 | 99.2 Ų | 99.2 | 46% | 0.462 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59 | -43.8 | 177.8 | -69.4 | 164.7 | 0 | 0 | 0 | 110.8 | E988 K994 I995 N996 | E988-I992 WeakPolarHBondContact O-CG1 3.36Å; E988-I992 PolarHBondContact O-N 3.1Å; I992-K994 PolarHBondContact O-N 3.02Å; I992-I995 PolarHBondContact O-N 2.69Å; I992-N996 VanDerWaalsContact O-CG 3.29Å; I992-N996 PolarHBondContact O-N 3.33Å; I992-N996 PolarHBondContact O-ND2 3.14Å |
| 993 | N | 71.3 | Confident | 71.5 | Confident | 100 Ų | 100 | 99.7 Ų | 99.7 | 54% | 0.535 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64 | -38.3 | 177.2 | -72.3 | -16.6 | 0 | 0 | 0 | 112.5 | Q989 S990 I991 N997 | Q989-N993 WeakPolarHBondContact O-CB 3.48Å; Q989-N993 VanDerWaalsContact O-CG 3.27Å; Q989-N993 PolarHBondContact O-N 2.84Å; Q989-N993 PolarHBondContact O-ND2 3.25Å; S990-N993 PolarHBondContact O-N 3.45Å; I991-N993 VanDerWaalsContact C-N 3.32Å; I991-N993 PolarHBondContact O-N 3.38Å; N993-N997 PolarHBondContact O-N 2.96Å; N993-N997 VanDerWaalsContact O-N 3.13Å |
| 994 | K | 81.6 | Confident | 71.8 | Confident | 142 Ų | 142 | 95.8 Ų | 95.8 | 62% | 0.617 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.9 | -43.6 | 173.2 | -76.1 | -176 | 176.9 | -175.8 | 0 | 112.4 | S990 I991 I992 N997 I998 | S990-K994 PolarHBondContact O-N 3.38Å; S990-K994 VanDerWaalsContact O-N 3.1Å; I991-K994 PolarHBondContact O-N 3.46Å; I991-K994 VanDerWaalsContact O-N 3.17Å; I992-K994 PolarHBondContact O-N 3.02Å; K994-N997 PolarHBondContact O-N 3Å; K994-I998 WeakPolarHBondContact O-CG1 3.41Å; K994-I998 PolarHBondContact O-N 3.14Å |
| 995 | I | 79.5 | Confident | 72 | Confident | 93 Ų | 93 | 96.8 Ų | 96.8 | 48% | 0.477 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.4 | -45.6 | 178.4 | -67.8 | 167.9 | 0 | 0 | 0 | 110.7 | I991 I992 N997 I998 Q999 | I991-I995 HydrophobicContact CG2-CD1 3.85Å; I991-I995 HydrophobicContact CG2-CG1 4.48Å; I991-I995 WeakPolarHBondContact O-CG1 3.32Å; I991-I995 PolarHBondContact O-N 3.34Å; I992-I995 PolarHBondContact O-N 2.69Å; I995-N997 VanDerWaalsContact C-N 3.31Å; I995-N997 PolarHBondContact O-N 3.11Å; I995-I998 PolarHBondContact O-N 2.93Å; I995-Q999 PolarHBondContact O-N 3.36Å |
| 996 | N | 76.6 | Confident | 71.3 | Confident | 77 Ų | 77 | 99 Ų | 99 | 41% | 0.412 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60 | -40.4 | 177.8 | -70.6 | -21 | 0 | 0 | 0 | 112.2 | I992 Q999 L1000 | I992-N996 VanDerWaalsContact O-CG 3.29Å; I992-N996 PolarHBondContact O-N 3.33Å; I992-N996 PolarHBondContact O-ND2 3.14Å; N996-Q999 PolarHBondContact O-N 3.24Å; N996-L1000 WeakPolarHBondContact O-CB 3.34Å; N996-L1000 WeakPolarHBondContact O-CG 3.49Å; N996-L1000 PolarHBondContact O-N 3.04Å |
| 997 | N | 76.6 | Confident | 71 | Confident | 109 Ų | 109 | 98.3 Ų | 98.3 | 58% | 0.583 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67.4 | -41.3 | 177.1 | -74 | -8.7 | 0 | 0 | 0 | 112.6 | N993 K994 I995 L1000 Q1001 | N993-N997 PolarHBondContact O-N 2.96Å; N993-N997 VanDerWaalsContact O-N 3.13Å; K994-N997 PolarHBondContact O-N 3Å; I995-N997 VanDerWaalsContact C-N 3.31Å; I995-N997 PolarHBondContact O-N 3.11Å; N997-L1000 PolarHBondContact O-N 3.27Å; N997-Q1001 PolarHBondContact O-N 3.25Å |
| 998 | I | 78.3 | Confident | 70.4 | Confident | 105 Ų | 105 | 99.6 Ų | 99.6 | 54% | 0.538 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.5 | -47 | 174.8 | -68.1 | 164.2 | 0 | 0 | 0 | 110.1 | K994 I995 L1000 Q1001 E1002 | K994-I998 WeakPolarHBondContact O-CG1 3.41Å; K994-I998 PolarHBondContact O-N 3.14Å; I995-I998 PolarHBondContact O-N 2.93Å; I998-L1000 VanDerWaalsContact C-N 3.34Å; I998-L1000 PolarHBondContact O-N 3.18Å; I998-Q1001 PolarHBondContact O-N 3.23Å; I998-Q1001 VanDerWaalsContact O-N 3.13Å; I998-E1002 PolarHBondContact O-N 2.69Å |
| 999 | Q | 70.8 | Confident | 69.8 | Low | 112 Ų | 112 | 99.1 Ų | 99.1 | 52% | 0.523 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.8 | -30.7 | -178.4 | -165 | 166.5 | 22.4 | 0 | 0 | 112.9 | I995 N996 N1003 | I995-Q999 PolarHBondContact O-N 3.36Å; N996-Q999 PolarHBondContact O-N 3.24Å; Q999-N1003 PolarHBondContact O-N 2.9Å; Q999-N1003 PolarHBondContact O-ND2 3.22Å |
| 1000 | L | 70.8 | Confident | 69.2 | Low | 103 Ų | 103 | 98.7 Ų | 98.7 | 54% | 0.539 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.8 | -43.2 | 169 | -81.1 | 165.8 | 0 | 0 | 0 | 111.6 | N996 N997 I998 N1003 I1004 | N996-L1000 WeakPolarHBondContact O-CB 3.34Å; N996-L1000 WeakPolarHBondContact O-CG 3.49Å; N996-L1000 PolarHBondContact O-N 3.04Å; N997-L1000 PolarHBondContact O-N 3.27Å; I998-L1000 VanDerWaalsContact C-N 3.34Å; I998-L1000 PolarHBondContact O-N 3.18Å; L1000-N1003 PolarHBondContact O-N 3.23Å; L1000-I1004 WeakPolarHBondContact O-CG1 3.49Å; L1000-I1004 PolarHBondContact O-N 3.42Å |
| 1001 | Q | 72.2 | Confident | 68.1 | Low | 103 Ų | 103 | 100.4 Ų | 100.4 | 48% | 0.481 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.6 | -42.2 | 179 | -167.3 | 63.4 | 45.9 | 0 | 0 | 112.3 | N997 I998 N1003 I1004 N1005 | N997-Q1001 PolarHBondContact O-N 3.25Å; I998-Q1001 PolarHBondContact O-N 3.23Å; I998-Q1001 VanDerWaalsContact O-N 3.13Å; Q1001-N1003 VanDerWaalsContact C-N 3.34Å; Q1001-N1003 PolarHBondContact O-N 3.23Å; Q1001-I1004 PolarHBondContact O-N 3.11Å; Q1001-N1005 PolarHBondContact NE2-OD1 2.9Å; Q1001-N1005 VanDerWaalsContact NE2-OD1 3.17Å; Q1001-N1005 WeakPolarHBondContact O-CB 3.34Å; Q1001-N1005 PolarHBondContact O-N 3.43Å; Q1001-N1005 PolarHBondContact O-OD1 2.7Å |
| 1002 | E | 66.1 | Low | 67.1 | Low | 117 Ų | 117 | 101.5 Ų | 101.5 | 55% | 0.547 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.6 | -41.8 | 174.3 | -73.2 | -174.2 | 152.4 | 0 | 0 | 112.3 | I998 N1005 H1006 | I998-E1002 PolarHBondContact O-N 2.69Å; E1002-N1005 PolarHBondContact O-N 3.49Å; E1002-H1006 WeakPolarHBondContact O-CB 3.34Å; E1002-H1006 PolarHBondContact O-N 3.48Å |
| 1003 | N | 70.3 | Confident | 65.9 | Low | 88 Ų | 88 | 101.3 Ų | 101.3 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.4 | -41.1 | 176.3 | -77.1 | -46.7 | 0 | 0 | 0 | 112.1 | Q999 L1000 Q1001 H1006 I1007 | Q999-N1003 PolarHBondContact O-N 2.9Å; Q999-N1003 PolarHBondContact O-ND2 3.22Å; L1000-N1003 PolarHBondContact O-N 3.23Å; Q1001-N1003 VanDerWaalsContact C-N 3.34Å; Q1001-N1003 PolarHBondContact O-N 3.23Å; N1003-H1006 PolarHBondContact O-N 3.3Å; N1003-I1007 VanDerWaalsContact O-CG1 3.29Å; N1003-I1007 WeakPolarHBondContact O-CG1 3.48Å; N1003-I1007 PolarHBondContact O-N 2.96Å |
| 1004 | I | 72.9 | Confident | 64.6 | Low | 80 Ų | 80 | 100.6 Ų | 100.6 | 41% | 0.41 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.6 | -46 | 175.2 | -69.1 | 164.6 | 0 | 0 | 0 | 110.5 | L1000 Q1001 H1006 I1007 Q1008 | L1000-I1004 WeakPolarHBondContact O-CG1 3.49Å; L1000-I1004 PolarHBondContact O-N 3.42Å; Q1001-I1004 PolarHBondContact O-N 3.11Å; I1004-H1006 VanDerWaalsContact C-N 3.33Å; I1004-H1006 PolarHBondContact O-N 3.16Å; I1004-I1007 PolarHBondContact O-N 3.03Å; I1004-Q1008 PolarHBondContact O-N 3.33Å |
| 1005 | N | 68.5 | Low | 62.6 | Low | 79 Ų | 79 | 99.5 Ų | 99.5 | 42% | 0.422 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.5 | -40.6 | 177.5 | -66.7 | -4.2 | 0 | 0 | 0 | 111.4 | Q1001 E1002 Q1008 L1009 | Q1001-N1005 PolarHBondContact NE2-OD1 2.9Å; Q1001-N1005 VanDerWaalsContact NE2-OD1 3.17Å; Q1001-N1005 WeakPolarHBondContact O-CB 3.34Å; Q1001-N1005 PolarHBondContact O-N 3.43Å; Q1001-N1005 PolarHBondContact O-OD1 2.7Å; E1002-N1005 PolarHBondContact O-N 3.49Å; N1005-Q1008 PolarHBondContact O-N 3.03Å; N1005-L1009 WeakPolarHBondContact O-CB 3.27Å; N1005-L1009 PolarHBondContact O-N 3.11Å |
| 1006 | H | 54.9 | Low | 60.6 | Low | 120 Ų | 120 | 101.4 Ų | 101.4 | 56% | 0.556 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.1 | -39.9 | 174.3 | -97.7 | -51.5 | 0 | 0 | 0 | 112.9 | E1002 N1003 I1004 L1009 I1010 | E1002-H1006 WeakPolarHBondContact O-CB 3.34Å; E1002-H1006 PolarHBondContact O-N 3.48Å; N1003-H1006 PolarHBondContact O-N 3.3Å; I1004-H1006 VanDerWaalsContact C-N 3.33Å; I1004-H1006 PolarHBondContact O-N 3.16Å; H1006-L1009 PolarHBondContact O-N 3.14Å; H1006-I1010 VanDerWaalsContact O-CG1 3.3Å; H1006-I1010 WeakPolarHBondContact O-CG1 3.46Å; H1006-I1010 PolarHBondContact O-N 2.74Å |
| 1007 | I | 62.7 | Low | 58.7 | Low | 98 Ų | 98 | 103.9 Ų | 103.9 | 50% | 0.503 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.9 | -42.3 | 176.2 | -68.9 | 164 | 0 | 0 | 0 | 110.8 | N1003 I1004 L1009 I1010 N1011 | N1003-I1007 VanDerWaalsContact O-CG1 3.29Å; N1003-I1007 WeakPolarHBondContact O-CG1 3.48Å; N1003-I1007 PolarHBondContact O-N 2.96Å; I1004-I1007 PolarHBondContact O-N 3.03Å; I1007-L1009 PolarHBondContact O-N 3.23Å; I1007-I1010 PolarHBondContact O-N 2.94Å; I1007-N1011 PolarHBondContact O-N 2.95Å |
| 1008 | Q | 57.4 | Low | 56.8 | Low | 111 Ų | 111 | 105.1 Ų | 105.1 | 52% | 0.519 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.5 | -41.9 | 173.5 | -74.4 | -177.2 | -18.6 | 0 | 0 | 112 | I1004 N1005 I1010 N1011 N1012 | I1004-Q1008 PolarHBondContact O-N 3.33Å; N1005-Q1008 PolarHBondContact O-N 3.03Å; Q1008-I1010 VanDerWaalsContact C-N 3.32Å; Q1008-I1010 PolarHBondContact O-N 2.99Å; Q1008-N1011 PolarHBondContact O-N 3.46Å; Q1008-N1012 WeakPolarHBondContact O-CB 3.21Å; Q1008-N1012 VanDerWaalsContact O-CG 3.31Å; Q1008-N1012 PolarHBondContact O-N 2.99Å |
| 1009 | L | 50.6 | Low | 54.8 | Low | 103 Ų | 103 | 108.8 Ų | 108.8 | 54% | 0.539 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.6 | -35.2 | 176.7 | -159.7 | 78.9 | 0 | 0 | 0 | 112.2 | N1005 H1006 I1007 N1013 | N1005-L1009 WeakPolarHBondContact O-CB 3.27Å; N1005-L1009 PolarHBondContact O-N 3.11Å; H1006-L1009 PolarHBondContact O-N 3.14Å; I1007-L1009 PolarHBondContact O-N 3.23Å; L1009-N1013 WeakPolarHBondContact O-CB 3.25Å; L1009-N1013 PolarHBondContact O-N 3.13Å; L1009-N1013 PolarHBondContact O-ND2 3.48Å |
| 1010 | I | 53.4 | Low | 53 | Low | 101 Ų | 101 | 110.4 Ų | 110.4 | 52% | 0.518 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.7 | -44.5 | 174.6 | -70.7 | 164.1 | 0 | 0 | 0 | 110.5 | H1006 I1007 Q1008 N1013 N1014 | H1006-I1010 VanDerWaalsContact O-CG1 3.3Å; H1006-I1010 WeakPolarHBondContact O-CG1 3.46Å; H1006-I1010 PolarHBondContact O-N 2.74Å; I1007-I1010 PolarHBondContact O-N 2.94Å; Q1008-I1010 VanDerWaalsContact C-N 3.32Å; Q1008-I1010 PolarHBondContact O-N 2.99Å; I1010-N1013 PolarHBondContact O-N 2.73Å; I1010-N1014 PolarHBondContact O-N 3.43Å; I1010-N1014 PolarHBondContact O-ND2 3.35Å |
| 1011 | N | 50.7 | Low | 51.1 | Low | 92 Ų | 92 | 114 Ų | 114 | 49% | 0.492 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.9 | -47.8 | 179.5 | -72.3 | -10.3 | 0 | 0 | 0 | 111.9 | I1007 Q1008 N1013 N1014 | I1007-N1011 PolarHBondContact O-N 2.95Å; Q1008-N1011 PolarHBondContact O-N 3.46Å; N1011-N1013 PolarHBondContact O-N 2.98Å; N1011-N1014 WeakPolarHBondContact O-CB 3.31Å; N1011-N1014 PolarHBondContact O-N 3Å |
| 1012 | N | 51.9 | Low | 49 | Very low | 108 Ų | 108 | 116.4 Ų | 116.4 | 58% | 0.578 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64.7 | -23.1 | 179.9 | -66.8 | -4.7 | 0 | 0 | 0 | 113.4 | Q1008 | Q1008-N1012 WeakPolarHBondContact O-CB 3.21Å; Q1008-N1012 VanDerWaalsContact O-CG 3.31Å; Q1008-N1012 PolarHBondContact O-N 2.99Å |
| 1013 | N | 47.5 | Very low | 47.3 | Very low | 86 Ų | 86 | 117.7 Ų | 117.7 | 46% | 0.46 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -84.2 | -14.8 | 174.8 | -81 | -58.3 | 0 | 0 | 0 | 113.9 | L1009 I1010 N1011 | L1009-N1013 WeakPolarHBondContact O-CB 3.25Å; L1009-N1013 PolarHBondContact O-N 3.13Å; L1009-N1013 PolarHBondContact O-ND2 3.48Å; I1010-N1013 PolarHBondContact O-N 2.73Å; N1011-N1013 PolarHBondContact O-N 2.98Å |
| 1014 | N | 42.5 | Very low | 45.3 | Very low | 86 Ų | 86 | 124.8 Ų | 124.8 | 46% | 0.46 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -78 | -36.6 | 177.1 | -72.9 | -30.7 | 0 | 0 | 0 | 112.1 | I1010 N1011 N1016 Q1017 | I1010-N1014 PolarHBondContact O-N 3.43Å; I1010-N1014 PolarHBondContact O-ND2 3.35Å; N1011-N1014 WeakPolarHBondContact O-CB 3.31Å; N1011-N1014 PolarHBondContact O-N 3Å; N1014-N1016 VanDerWaalsContact C-N 3.29Å; N1014-N1016 PolarHBondContact O-N 2.98Å; N1014-Q1017 PolarHBondContact O-N 2.96Å |
| 1015 | D | 39.9 | Very low | 43.2 | Very low | 119 Ų | 119 | 130.6 Ų | 130.6 | 64% | 0.636 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -63.6 | -35.5 | 179.1 | -69.4 | -25 | 0 | 0 | 0 | 112.1 | Q1017 | D1015-Q1017 VanDerWaalsContact C-N 3.32Å; D1015-Q1017 PolarHBondContact O-N 3.4Å |
| 1016 | N | 39.2 | Very low | 41.3 | Very low | 132 Ų | 132 | 131.2 Ų | 131.2 | 71% | 0.706 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -9.8 | 175.3 | -77.2 | -38.1 | 0 | 0 | 0 | 114.3 | N1014 | N1014-N1016 VanDerWaalsContact C-N 3.29Å; N1014-N1016 PolarHBondContact O-N 2.98Å |
| 1017 | Q | 36.5 | Very low | 40.1 | Very low | 129 Ų | 129 | 133.3 Ų | 133.3 | 60% | 0.603 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -3 | 178.7 | -90.3 | -169.9 | 50.6 | 0 | 0 | 115 | N1014 D1015 Q1019 I1020 | N1014-Q1017 PolarHBondContact O-N 2.96Å; D1015-Q1017 VanDerWaalsContact C-N 3.32Å; D1015-Q1017 PolarHBondContact O-N 3.4Å; Q1017-Q1019 PolarHBondContact O-N 2.96Å; Q1017-I1020 PolarHBondContact O-N 2.77Å |
| 1018 | I | 36.2 | Very low | 38.5 | Very low | 135 Ų | 135 | 137.3 Ų | 137.3 | 69% | 0.692 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -19.4 | 178.1 | -66.3 | 179.9 | 0 | 0 | 0 | 112.7 | | |
| 1019 | Q | 36.1 | Very low | 37.1 | Very low | 183 Ų | 183 | 140 Ų | 140 | 86% | 0.855 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | 0.3 | 179.2 | -66.5 | -163.4 | 25.6 | 0 | 0 | 116.7 | Q1017 | Q1017-Q1019 PolarHBondContact O-N 2.96Š|
| 1020 | I | 32.8 | Very low | 36.1 | Very low | 146 Ų | 146 | 141.7 Ų | 141.7 | 75% | 0.749 | 72% | 0.715 | S | S | * | * | | | trans | -109.4 | 41.1 | 179.7 | -37.1 | -175.9 | 0 | 0 | 0 | 112.7 | Q1017 | Q1017-I1020 PolarHBondContact O-N 2.77Š|
| 1021 | K | 30.2 | Very low | 35 | Very low | 179 Ų | 179 | 144.6 Ų | 144.6 | 78% | 0.778 | 73% | 0.73 | S | S | * | * | | | trans | -88 | 133.7 | 156.1 | -86.8 | 177.4 | 174.5 | 171.2 | 0 | 109.2 | | |
| 1022 | N | 29 | Very low | 34 | Very low | 153 Ų | 153 | 150.6 Ų | 150.6 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | S | Bend | trans | 113.2 | 44.7 | 166 | -55.3 | -18.1 | 0 | 0 | 0 | 118.6 | | |
| 1023 | N | 29.9 | Very low | 33 | Very low | 143 Ų | 143 | 154.5 Ų | 154.5 | 77% | 0.765 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -149.6 | 16 | 164.1 | -117.2 | -28.6 | 0 | 0 | 0 | 119.6 | | |
| 1024 | Y | 28.1 | Very low | 32.2 | Very low | 237 Ų | 237 | 159.1 Ų | 159.1 | 93% | 0.929 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -129.8 | 27.6 | 175.7 | -70.5 | -69.1 | 0 | 0 | 0 | 114.8 | | |
| 1025 | Q | 28.8 | Very low | 31.7 | Very low | 202 Ų | 202 | 160.8 Ų | 160.8 | 94% | 0.944 | 79% | 0.792 | S | S | * | * | | | trans | -109.5 | 56.5 | 170 | -89.1 | -164.9 | -32.4 | 0 | 0 | 112.7 | | |
| 1026 | S | 29.8 | Very low | 31 | Very low | 92 Ų | 92 | 162.3 Ų | 162.3 | 64% | 0.643 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -162.5 | 74.4 | 168.8 | 45.4 | 0 | 0 | 0 | 0 | 112 | | |
| 1027 | N | 29.5 | Very low | 30.3 | Very low | 165 Ų | 165 | 164.4 Ų | 164.4 | 88% | 0.882 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -169.7 | -8.5 | 157.2 | -97.5 | -30.6 | 0 | 0 | 0 | 114.9 | M1029 | N1027-M1029 PolarHBondContact O-N 3.23Š|
| 1028 | L | 28.9 | Very low | 30 | Very low | 182 Ų | 182 | 163.9 Ų | 163.9 | 95% | 0.953 | 81% | 0.805 | S | S | * | * | | | trans | -91.8 | 68.3 | 170.3 | -85.2 | 126.9 | 0 | 0 | 0 | 111.8 | | |
| 1029 | M | 28.6 | Very low | 29.5 | Very low | 166 Ų | 166 | 163.1 Ų | 163.1 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | trans | -143.3 | 142.5 | 166.8 | -105 | -72.3 | -179.4 | 0 | 0 | 109.2 | N1027 | N1027-M1029 PolarHBondContact O-N 3.23Š|
| 1030 | N | 29.7 | Very low | 29.2 | Very low | 139 Ų | 139 | 162.8 Ų | 162.8 | 74% | 0.743 | 80% | 0.798 | S | S | * | * | | | trans | 68.3 | 46.7 | 176.7 | -70.4 | -34.6 | 0 | 0 | 0 | 119 | | |
| 1031 | I | 29.5 | Very low | 29.1 | Very low | 162 Ų | 162 | 161.1 Ų | 161.1 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | | | trans | -106.1 | 96 | 139.4 | -53.5 | -178.4 | 0 | 0 | 0 | 107.4 | E1033 | I1031-E1033 PolarHBondContact O-N 3.06Å; I1031-E1033 VanDerWaalsContact O-N 3.09Å |
| 1032 | R | 30 | Very low | 28.9 | Very low | 218 Ų | 218 | 161.6 Ų | 161.6 | 82% | 0.823 | 80% | 0.799 | S | S | * | * | | | trans | -60.1 | 113.4 | 169.7 | -71.4 | -179.6 | 177 | -176.4 | -1.9 | 107.9 | K1034 | R1032-K1034 VanDerWaalsContact C-N 3.32Å; R1032-K1034 PolarHBondContact O-N 3.36Å |
| 1033 | E | 29.9 | Very low | 28.8 | Very low | 190 Ų | 190 | 162.3 Ų | 162.3 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | | | trans | -61.5 | 93.8 | 171.7 | -66.5 | -174 | 146.7 | 0 | 0 | 109.1 | I1031 | I1031-E1033 PolarHBondContact O-N 3.06Å; I1031-E1033 VanDerWaalsContact O-N 3.09Å |
| 1034 | K | 31.5 | Very low | 28.6 | Very low | 184 Ų | 184 | 160.5 Ų | 160.5 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | | | trans | -67.7 | 125.8 | 163.8 | -73.1 | -174 | 176.2 | -177.2 | 0 | 106.6 | R1032 I1036 | R1032-K1034 VanDerWaalsContact C-N 3.32Å; R1032-K1034 PolarHBondContact O-N 3.36Å; K1034-I1036 PolarHBondContact O-N 3.42Å |
| 1035 | P | 31.1 | Very low | 28.6 | Very low | 120 Ų | 120 | 155.3 Ų | 155.3 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | | | trans | -57.9 | 126.5 | 179.4 | 23.3 | -33 | 0 | 0 | 0 | 109.2 | Q1037 | P1035-Q1037 PolarHBondContact O-N 3.21Š|
| 1036 | I | 25.9 | Very low | 28.4 | Very low | 151 Ų | 151 | 153.5 Ų | 153.5 | 77% | 0.774 | 79% | 0.786 | S | S | * | * | | | trans | -69.1 | 99.5 | -178.1 | -57.3 | 174.2 | 0 | 0 | 0 | 107.6 | K1034 I1038 | K1034-I1036 PolarHBondContact O-N 3.42Å; I1036-I1038 VanDerWaalsContact C-N 3.29Å; I1036-I1038 HydrophobicContact CG2-CG1 3.87Å; I1036-I1038 PolarHBondContact O-N 3.46Å |
| 1037 | Q | 25 | Very low | 28.3 | Very low | 176 Ų | 176 | 157.3 Ų | 157.3 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | | | trans | -65.6 | 95.1 | 162.5 | -87.7 | -175 | -26 | 0 | 0 | 108 | P1035 V1039 | P1035-Q1037 PolarHBondContact O-N 3.21Å; Q1037-V1039 PolarHBondContact O-N 2.9Å |
| 1038 | I | 29.8 | Very low | 28.3 | Very low | 119 Ų | 119 | 154.3 Ų | 154.3 | 61% | 0.61 | 79% | 0.79 | S | S | * | * | | | trans | -70.5 | 90.8 | 165.8 | -58.6 | 178.8 | 0 | 0 | 0 | 106.4 | I1036 Y1040 | I1036-I1038 VanDerWaalsContact C-N 3.29Å; I1036-I1038 HydrophobicContact CG2-CG1 3.87Å; I1036-I1038 PolarHBondContact O-N 3.46Å; I1038-Y1040 HydrophobicContact CG2-CD2 4.43Å; I1038-Y1040 HydrophobicContact CG2-CE2 4.16Å; I1038-Y1040 WeakPolarHBondContact O-CD2 3.46Å; I1038-Y1040 PolarHBondContact O-N 3.43Å |
| 1039 | V | 25.6 | Very low | 28.3 | Very low | 119 Ų | 119 | 154.5 Ų | 154.5 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | | | trans | -68.9 | 100.2 | 173 | 179.7 | 0 | 0 | 0 | 0 | 107.5 | Q1037 | Q1037-V1039 PolarHBondContact O-N 2.9Š|
| 1040 | Y | 28.9 | Very low | 28.4 | Very low | 176 Ų | 176 | 152 Ų | 152 | 69% | 0.69 | 78% | 0.784 | S | S | * | * | | | trans | -63.7 | 126.1 | 170.4 | -74.3 | -89.2 | 0 | 0 | 0 | 109 | I1038 F1042 | I1038-Y1040 HydrophobicContact CG2-CD2 4.43Å; I1038-Y1040 HydrophobicContact CG2-CE2 4.16Å; I1038-Y1040 WeakPolarHBondContact O-CD2 3.46Å; I1038-Y1040 PolarHBondContact O-N 3.43Å; Y1040-F1042 PolarHBondContact O-N 2.62Å |
| 1041 | P | 31.7 | Very low | 28.4 | Very low | 110 Ų | 110 | 149.2 Ų | 149.2 | 71% | 0.714 | 79% | 0.789 | S | S | * | * | | | trans | -67.7 | 106.2 | 178.3 | 25.5 | -32.3 | 0 | 0 | 0 | 110.2 | H1043 | P1041-H1043 VanDerWaalsContact C-N 3.31Å; P1041-H1043 PolarHBondContact O-N 3.41Å |
| 1042 | F | 24.8 | Very low | 28.6 | Very low | 189 Ų | 189 | 152.2 Ų | 152.2 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | | | trans | -69.2 | 86.5 | 170 | -87.1 | -90.7 | 0 | 0 | 0 | 110.5 | Y1040 | Y1040-F1042 PolarHBondContact O-N 2.62Š|
| 1043 | H | 28.6 | Very low | 29 | Very low | 168 Ų | 168 | 149.4 Ų | 149.4 | 78% | 0.778 | 79% | 0.79 | S | S | * | * | | | trans | -113.3 | 84 | 157.5 | -68 | -25.4 | 0 | 0 | 0 | 108.6 | P1041 T1045 | P1041-H1043 VanDerWaalsContact C-N 3.31Å; P1041-H1043 PolarHBondContact O-N 3.41Å; H1043-T1045 PolarHBondContact O-N 3.11Å |
| 1044 | S | 24.2 | Very low | 29.6 | Very low | 106 Ų | 106 | 148.1 Ų | 148.1 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | | | trans | -68.6 | 91.7 | 174.2 | 52.5 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1045 | T | 29.5 | Very low | 30.2 | Very low | 127 Ų | 127 | 144.9 Ų | 144.9 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | | | trans | -111.5 | 120.2 | 159.9 | 46.2 | 0 | 0 | 0 | 0 | 108.9 | H1043 L1047 | H1043-T1045 PolarHBondContact O-N 3.11Å; T1045-L1047 PolarHBondContact O-N 3.06Å |
| 1046 | N | 24.7 | Very low | 31.4 | Very low | 164 Ų | 164 | 142.2 Ų | 142.2 | 88% | 0.877 | 76% | 0.762 | S | S | * | * | | | trans | -61 | 107.8 | -173.1 | -62 | -63.1 | 0 | 0 | 0 | 111.5 | | |
| 1047 | L | 28.1 | Very low | 33.1 | Very low | 172 Ų | 172 | 140.9 Ų | 140.9 | 90% | 0.901 | 76% | 0.756 | S | S | * | * | | | trans | -125.4 | 97.8 | 158.5 | -139.9 | 76.6 | 0 | 0 | 0 | 109 | T1045 | T1045-L1047 PolarHBondContact O-N 3.06Š|
| 1048 | S | 27.5 | Very low | 35.2 | Very low | 102 Ų | 102 | 136.4 Ų | 136.4 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | | | trans | -68.4 | 156.7 | 175.5 | -166 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1049 | Q | 29 | Very low | 37.2 | Very low | 186 Ų | 186 | 133 Ų | 133 | 87% | 0.869 | 73% | 0.734 | S | S | * | * | | | trans | 63.6 | 80.5 | 165.4 | -68 | 169.3 | -25 | 0 | 0 | 117.8 | | |
| 1050 | S | 32.5 | Very low | 39.6 | Very low | 113 Ų | 113 | 131.1 Ų | 131.1 | 79% | 0.79 | 72% | 0.717 | S | S | * | * | | | | -148.3 | 124.9 | 125 | -168.7 | 0 | 0 | 0 | 0 | 109.6 | R1052 | S1050-R1052 PolarHBondContact O-N 3.48Š|
| 1051 | G | 29.3 | Very low | 42.1 | Very low | 81 Ų | 81 | 127.5 Ų | 127.5 | 84% | 0.835 | 71% | 0.709 | S | S | * | * | | | trans | -73.8 | 62.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114 | L1053 | G1051-L1053 PolarHBondContact O-N 3.05Š|
| 1052 | R | 33.4 | Very low | 44.6 | Very low | 225 Ų | 225 | 125.1 Ų | 125.1 | 85% | 0.849 | 70% | 0.699 | S | S | * | * | | | trans | -68.5 | 101.2 | 168.1 | -90.7 | -173.9 | 171.3 | 178.4 | -1.7 | 109.2 | S1050 I1054 | S1050-R1052 PolarHBondContact O-N 3.48Å; R1052-I1054 PolarHBondContact O-N 2.84Å |
| 1053 | L | 38.6 | Very low | 47.6 | Very low | 159 Ų | 159 | 121.6 Ų | 121.6 | 83% | 0.832 | 69% | 0.685 | S | S | * | * | | | trans | -52.8 | 107.3 | 162.1 | -76.1 | 162.8 | 0 | 0 | 0 | 108.4 | G1051 I1055 | G1051-L1053 PolarHBondContact O-N 3.05Å; L1053-I1055 PolarHBondContact O-N 2.92Å |
| 1054 | I | 42.8 | Very low | 50.3 | Low | 163 Ų | 163 | 120.6 Ų | 120.6 | 84% | 0.836 | 67% | 0.674 | S | S | * | * | | | trans | -73.1 | 87.8 | 169.5 | -58.2 | 176.6 | 0 | 0 | 0 | 105.9 | R1052 S1056 | R1052-I1054 PolarHBondContact O-N 2.84Å; I1054-S1056 PolarHBondContact O-N 2.84Å |
| 1055 | I | 42.7 | Very low | 53.4 | Low | 116 Ų | 116 | 120.7 Ų | 120.7 | 60% | 0.595 | 66% | 0.663 | S | S | * | * | | | trans | -64.9 | 106.3 | 169.8 | -57.4 | 176.4 | 0 | 0 | 0 | 105.8 | L1053 L1057 A1059 | L1053-I1055 PolarHBondContact O-N 2.92Å; I1055-L1057 PolarHBondContact O-N 3.18Å; I1055-A1059 HydrophobicContact CG2-CB 4.01Å |
| 1056 | S | 56.4 | Low | 56.3 | Low | 64 Ų | 64 | 117 Ų | 117 | 45% | 0.448 | 65% | 0.645 | S | S | . | * | | | trans | -55 | 132.1 | 174.4 | 48.7 | 0 | 0 | 0 | 0 | 109.2 | I1054 S1058 A1059 | I1054-S1056 PolarHBondContact O-N 2.84Å; S1056-S1058 PolarHBondContact O-N 3.36Å; S1056-A1059 WeakPolarHBondContact O-CB 3.4Å; S1056-A1059 PolarHBondContact O-N 3.05Å |
| 1057 | L | 62.8 | Low | 59.6 | Low | 124 Ų | 124 | 117.2 Ų | 117.2 | 65% | 0.649 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -50 | -32.2 | -174.1 | -170.3 | 71.2 | 0 | 0 | 0 | 113.5 | I1055 A1059 E1060 L1061 | I1055-L1057 PolarHBondContact O-N 3.18Å; L1057-A1059 PolarHBondContact O-N 3.42Å; L1057-E1060 PolarHBondContact O-N 3.43Å; L1057-L1061 HydrophobicContact CG-CD1 4.36Å; L1057-L1061 WeakPolarHBondContact O-CG 3.42Å; L1057-L1061 PolarHBondContact O-N 3.46Å |
| 1058 | S | 68.4 | Low | 62.8 | Low | 82 Ų | 82 | 115.1 Ų | 115.1 | 57% | 0.573 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -58.3 | -38 | 172.8 | 38.8 | 0 | 0 | 0 | 0 | 114.4 | S1056 A1062 | S1056-S1058 PolarHBondContact O-N 3.36Å; S1058-A1062 WeakPolarHBondContact O-CB 3.44Å; S1058-A1062 PolarHBondContact O-N 3.4Å |
| 1059 | A | 72.2 | Confident | 66 | Low | 47 Ų | 47 | 116.3 Ų | 116.3 | 39% | 0.388 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -71.9 | -39 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I1055 S1056 L1057 L1061 A1062 E1063 | I1055-A1059 HydrophobicContact CG2-CB 4.01Å; S1056-A1059 WeakPolarHBondContact O-CB 3.4Å; S1056-A1059 PolarHBondContact O-N 3.05Å; L1057-A1059 PolarHBondContact O-N 3.42Å; A1059-L1061 VanDerWaalsContact C-N 3.34Å; A1059-A1062 PolarHBondContact O-N 3.12Å; A1059-E1063 PolarHBondContact O-N 3.4Å |
| 1060 | E | 75.9 | Confident | 69.1 | Low | 80 Ų | 80 | 116.8 Ų | 116.8 | 37% | 0.374 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -65.4 | -38.1 | 174.8 | -168 | -173.3 | 144 | 0 | 0 | 111.6 | L1057 R1064 | L1057-E1060 PolarHBondContact O-N 3.43Å; E1060-R1064 WeakPolarHBondContact O-CG 3.34Å; E1060-R1064 PolarHBondContact O-N 3.11Å; E1060-R1064 IonicContact OE1-CZ 2.62Å; E1060-R1064 IonicContact OE1-NH1 2.75Å; E1060-R1064 PolarHBondContact OE1-NH1 3.08Å; E1060-R1064 IonicContact OE1-NH2 3.86Å; E1060-R1064 PolarHBondContact OE1-NH2 3.27Å |
| 1061 | L | 80.2 | Confident | 72.1 | Confident | 99 Ų | 99 | 116.4 Ų | 116.4 | 52% | 0.518 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.9 | -44.8 | 173.9 | -72.1 | 169.6 | 0 | 0 | 0 | 112 | L1057 A1059 E1063 R1064 E1065 | L1057-L1061 HydrophobicContact CG-CD1 4.36Å; L1057-L1061 WeakPolarHBondContact O-CG 3.42Å; L1057-L1061 PolarHBondContact O-N 3.46Å; A1059-L1061 VanDerWaalsContact C-N 3.34Å; L1061-E1063 PolarHBondContact O-N 3.01Å; L1061-R1064 PolarHBondContact O-N 3.05Å; L1061-E1065 PolarHBondContact O-N 3.48Å |
| 1062 | A | 85 | Confident | 75 | Confident | 60 Ų | 60 | 116.8 Ų | 116.8 | 50% | 0.496 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.9 | -42.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S1058 A1059 E1065 A1066 | S1058-A1062 WeakPolarHBondContact O-CB 3.44Å; S1058-A1062 PolarHBondContact O-N 3.4Å; A1059-A1062 PolarHBondContact O-N 3.12Å; A1062-E1065 PolarHBondContact O-N 3.05Å; A1062-A1066 WeakPolarHBondContact O-CB 3.49Å; A1062-A1066 PolarHBondContact O-N 3.41Å |
| 1063 | E | 88.6 | Confident | 77.7 | Confident | 116 Ų | 116 | 107.5 Ų | 107.5 | 54% | 0.542 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69.4 | -35 | 175.9 | -173.1 | 169 | 156.2 | 0 | 0 | 112.4 | A1059 L1061 E1065 A1066 R1067 | A1059-E1063 PolarHBondContact O-N 3.4Å; L1061-E1063 PolarHBondContact O-N 3.01Å; E1063-E1065 VanDerWaalsContact C-N 3.34Å; E1063-E1065 PolarHBondContact O-N 3.3Å; E1063-A1066 PolarHBondContact O-N 3.41Å; E1063-R1067 VanDerWaalsContact O-CB 3.24Å; E1063-R1067 WeakPolarHBondContact O-CB 3.33Å; E1063-R1067 PolarHBondContact O-N 3.21Å; E1063-R1067 IonicContact OE1-CZ 2.67Å; E1063-R1067 IonicContact OE1-NH2 2.7Å; E1063-R1067 PolarHBondContact OE1-NH2 3.09Å |
| 1064 | R | 85.1 | Confident | 80.2 | Confident | 146 Ų | 146 | 104.1 Ų | 104.1 | 55% | 0.551 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59.4 | -44 | 171.7 | -82.4 | -164.4 | -179.5 | 92.4 | 9.9 | 111.9 | E1060 L1061 R1067 K1068 | E1060-R1064 WeakPolarHBondContact O-CG 3.34Å; E1060-R1064 PolarHBondContact O-N 3.11Å; E1060-R1064 IonicContact OE1-CZ 2.62Å; E1060-R1064 IonicContact OE1-NH1 2.75Å; E1060-R1064 PolarHBondContact OE1-NH1 3.08Å; E1060-R1064 IonicContact OE1-NH2 3.86Å; E1060-R1064 PolarHBondContact OE1-NH2 3.27Å; L1061-R1064 PolarHBondContact O-N 3.05Å; R1064-R1067 PolarHBondContact O-N 3.48Å; R1064-K1068 PolarHBondContact O-N 3.12Å |
| 1065 | E | 88.4 | Confident | 82 | Confident | 108 Ų | 108 | 101.9 Ų | 101.9 | 51% | 0.505 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.2 | -44.1 | 178.3 | -159.6 | -160.4 | 139 | 0 | 0 | 111.7 | L1061 A1062 E1063 R1067 K1068 K1069 | L1061-E1065 PolarHBondContact O-N 3.48Å; A1062-E1065 PolarHBondContact O-N 3.05Å; E1063-E1065 VanDerWaalsContact C-N 3.34Å; E1063-E1065 PolarHBondContact O-N 3.3Å; E1065-R1067 VanDerWaalsContact C-N 3.33Å; E1065-R1067 PolarHBondContact O-N 3.44Å; E1065-K1068 WeakPolarHBondContact O-CB 3.37Å; E1065-K1068 PolarHBondContact O-N 2.95Å; E1065-K1069 PolarHBondContact O-N 3.43Å; E1065-K1069 IonicContact OE1-NZ 3.18Å; E1065-K1069 PolarHBondContact OE1-NZ 3.39Å |
| 1066 | A | 90.3 | Very high | 83.7 | Confident | 50 Ų | 50 | 99.7 Ų | 99.7 | 41% | 0.413 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.8 | -40.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1062 E1063 K1069 R1070 | A1062-A1066 WeakPolarHBondContact O-CB 3.49Å; A1062-A1066 PolarHBondContact O-N 3.41Å; E1063-A1066 PolarHBondContact O-N 3.41Å; A1066-K1069 PolarHBondContact O-N 3.49Å; A1066-R1070 VanDerWaalsContact O-CG 3.31Å; A1066-R1070 WeakPolarHBondContact O-CG 3.35Å; A1066-R1070 PolarHBondContact O-N 3.44Å |
| 1067 | R | 94.2 | Very high | 84.8 | Confident | 168 Ų | 168 | 105 Ų | 105 | 63% | 0.634 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.3 | -36.3 | 176.5 | -168.8 | 175.1 | -70.4 | -173.4 | 1.3 | 111.8 | E1063 R1064 E1065 R1070 L1071 | E1063-R1067 VanDerWaalsContact O-CB 3.24Å; E1063-R1067 WeakPolarHBondContact O-CB 3.33Å; E1063-R1067 PolarHBondContact O-N 3.21Å; E1063-R1067 IonicContact OE1-CZ 2.67Å; E1063-R1067 IonicContact OE1-NH2 2.7Å; E1063-R1067 PolarHBondContact OE1-NH2 3.09Å; R1064-R1067 PolarHBondContact O-N 3.48Å; E1065-R1067 VanDerWaalsContact C-N 3.33Å; E1065-R1067 PolarHBondContact O-N 3.44Å; R1067-R1070 PolarHBondContact O-N 3.27Å; R1067-L1071 PolarHBondContact O-N 3.18Å; R1067-L1071 VanDerWaalsContact O-N 3.11Å |
| 1068 | K | 95.7 | Very high | 85.4 | Confident | 128 Ų | 128 | 104.2 Ų | 104.2 | 56% | 0.557 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.1 | -51.6 | 172.5 | -173.8 | -171.4 | 170.3 | -157.1 | 0 | 111.5 | R1064 E1065 R1070 L1071 E1072 | R1064-K1068 PolarHBondContact O-N 3.12Å; E1065-K1068 WeakPolarHBondContact O-CB 3.37Å; E1065-K1068 PolarHBondContact O-N 2.95Å; K1068-R1070 VanDerWaalsContact C-N 3.29Å; K1068-R1070 PolarHBondContact O-N 3.3Å; K1068-L1071 WeakPolarHBondContact O-CB 3.46Å; K1068-L1071 PolarHBondContact O-N 2.85Å; K1068-E1072 WeakPolarHBondContact CE-OE1 3.44Å; K1068-E1072 IonicContact NZ-OE1 3.08Å; K1068-E1072 PolarHBondContact NZ-OE1 3.49Å; K1068-E1072 PolarHBondContact O-N 2.82Å |
| 1069 | K | 94.6 | Very high | 85.6 | Confident | 128 Ų | 128 | 107.9 Ų | 107.9 | 56% | 0.557 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -58.1 | -38.9 | 177.5 | -79.9 | 173.9 | 170.2 | 155.1 | 0 | 112.7 | E1065 A1066 L1071 G1073 | E1065-K1069 PolarHBondContact O-N 3.43Å; E1065-K1069 IonicContact OE1-NZ 3.18Å; E1065-K1069 PolarHBondContact OE1-NZ 3.39Å; A1066-K1069 PolarHBondContact O-N 3.49Å; K1069-L1071 VanDerWaalsContact C-N 3.35Å; K1069-G1073 PolarHBondContact O-N 3.26Å |
| 1070 | R | 94.6 | Very high | 84.9 | Confident | 196 Ų | 196 | 111 Ų | 111 | 74% | 0.74 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.6 | -36.9 | 174.8 | -71.3 | 173.8 | 79.8 | 159.6 | 6.5 | 112.4 | A1066 R1067 K1068 I1074 | A1066-R1070 VanDerWaalsContact O-CG 3.31Å; A1066-R1070 WeakPolarHBondContact O-CG 3.35Å; A1066-R1070 PolarHBondContact O-N 3.44Å; R1067-R1070 PolarHBondContact O-N 3.27Å; K1068-R1070 VanDerWaalsContact C-N 3.29Å; K1068-R1070 PolarHBondContact O-N 3.3Å; R1070-I1074 WeakPolarHBondContact O-CD1 3.47Å; R1070-I1074 VanDerWaalsContact O-CG1 3.31Å; R1070-I1074 WeakPolarHBondContact O-CG1 3.48Å; R1070-I1074 PolarHBondContact O-N 2.75Å |
| 1071 | L | 94.1 | Very high | 83.7 | Confident | 104 Ų | 104 | 113.9 Ų | 113.9 | 55% | 0.545 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -71 | -44.2 | 177.4 | -174.1 | 63.7 | 0 | 0 | 0 | 111.9 | R1067 K1068 K1069 G1073 I1074 M1075 | R1067-L1071 PolarHBondContact O-N 3.18Å; R1067-L1071 VanDerWaalsContact O-N 3.11Å; K1068-L1071 WeakPolarHBondContact O-CB 3.46Å; K1068-L1071 PolarHBondContact O-N 2.85Å; K1069-L1071 VanDerWaalsContact C-N 3.35Å; L1071-G1073 VanDerWaalsContact C-N 3.34Å; L1071-G1073 PolarHBondContact O-N 3.25Å; L1071-I1074 PolarHBondContact O-N 3.35Å; L1071-I1074 VanDerWaalsContact O-N 3.14Å; L1071-M1075 HydrophobicContact CG-SD 4.41Å; L1071-M1075 WeakPolarHBondContact O-CG 3.5Å; L1071-M1075 PolarHBondContact O-N 3.32Å |
| 1072 | E | 90.1 | Very high | 82.2 | Confident | 89 Ų | 89 | 112.9 Ų | 112.9 | 42% | 0.416 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -57.8 | -45.8 | 173.9 | -73.5 | 171.3 | 161.6 | 0 | 0 | 110.9 | K1068 I1074 M1075 S1076 | K1068-E1072 WeakPolarHBondContact CE-OE1 3.44Å; K1068-E1072 IonicContact NZ-OE1 3.08Å; K1068-E1072 PolarHBondContact NZ-OE1 3.49Å; K1068-E1072 PolarHBondContact O-N 2.82Å; E1072-I1074 VanDerWaalsContact C-N 3.28Å; E1072-I1074 PolarHBondContact O-N 3.36Å; E1072-M1075 PolarHBondContact O-N 3.49Å; E1072-M1075 VanDerWaalsContact O-N 3.14Å; E1072-S1076 PolarHBondContact O-N 3.08Å; E1072-S1076 PolarHBondContact O-OG 3.01Å |
| 1073 | G | 90.4 | Very high | 80.4 | Confident | 30 Ų | 30 | 115.6 Ų | 115.6 | 31% | 0.309 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.8 | -26.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115 | K1069 L1071 R1077 | K1069-G1073 PolarHBondContact O-N 3.26Å; L1071-G1073 VanDerWaalsContact C-N 3.34Å; L1071-G1073 PolarHBondContact O-N 3.25Å; G1073-R1077 WeakPolarHBondContact O-CG 3.42Å |
| 1074 | I | 90.7 | Very high | 78.4 | Confident | 89 Ų | 89 | 115.5 Ų | 115.5 | 46% | 0.456 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -75.7 | -45.3 | 171.2 | -70.1 | 163.6 | 0 | 0 | 0 | 110 | R1070 L1071 E1072 S1076 R1077 I1078 | R1070-I1074 WeakPolarHBondContact O-CD1 3.47Å; R1070-I1074 VanDerWaalsContact O-CG1 3.31Å; R1070-I1074 WeakPolarHBondContact O-CG1 3.48Å; R1070-I1074 PolarHBondContact O-N 2.75Å; L1071-I1074 PolarHBondContact O-N 3.35Å; L1071-I1074 VanDerWaalsContact O-N 3.14Å; E1072-I1074 VanDerWaalsContact C-N 3.28Å; E1072-I1074 PolarHBondContact O-N 3.36Å; I1074-S1076 VanDerWaalsContact C-N 3.33Å; I1074-S1076 PolarHBondContact O-N 3.15Å; I1074-R1077 PolarHBondContact O-N 3.18Å; I1074-I1078 HydrophobicContact CG2-CD1 3.78Å; I1074-I1078 HydrophobicContact CG2-CG1 4.49Å; I1074-I1078 WeakPolarHBondContact O-CG1 3.46Å; I1074-I1078 PolarHBondContact O-N 3Å |
| 1075 | M | 81.8 | Confident | 76.6 | Confident | 115 Ų | 115 | 116 Ų | 116 | 57% | 0.567 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -60.3 | -39.4 | 178 | -73.1 | 174.5 | 61 | 0 | 0 | 112.5 | L1071 E1072 I1078 K1079 | L1071-M1075 HydrophobicContact CG-SD 4.41Å; L1071-M1075 WeakPolarHBondContact O-CG 3.5Å; L1071-M1075 PolarHBondContact O-N 3.32Å; E1072-M1075 PolarHBondContact O-N 3.49Å; E1072-M1075 VanDerWaalsContact O-N 3.14Å; M1075-I1078 PolarHBondContact O-N 3.14Å; M1075-K1079 PolarHBondContact O-N 3.16Å |
| 1076 | S | 78 | Confident | 74.1 | Confident | 71 Ų | 71 | 120.7 Ų | 120.7 | 50% | 0.497 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63.4 | -40.8 | 175.7 | -63.1 | 0 | 0 | 0 | 0 | 112.8 | E1072 I1074 K1079 L1080 | E1072-S1076 PolarHBondContact O-N 3.08Å; E1072-S1076 PolarHBondContact O-OG 3.01Å; I1074-S1076 VanDerWaalsContact C-N 3.33Å; I1074-S1076 PolarHBondContact O-N 3.15Å; S1076-K1079 PolarHBondContact O-N 3.39Å; S1076-L1080 WeakPolarHBondContact O-CG 3.41Å; S1076-L1080 PolarHBondContact O-N 3.36Å |
| 1077 | R | 78.9 | Confident | 71.4 | Confident | 175 Ų | 175 | 124.6 Ų | 124.6 | 66% | 0.66 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66.1 | -40.5 | 176 | -67 | 177.1 | -152.1 | -173.8 | 1.1 | 112.2 | G1073 I1074 K1079 L1080 H1081 | G1073-R1077 WeakPolarHBondContact O-CG 3.42Å; I1074-R1077 PolarHBondContact O-N 3.18Å; R1077-K1079 VanDerWaalsContact C-N 3.34Å; R1077-L1080 PolarHBondContact O-N 3.44Å; R1077-H1081 PolarHBondContact O-CD2 3.36Å; R1077-H1081 PolarHBondContact O-N 3Å |
| 1078 | I | 77.3 | Confident | 68.5 | Low | 107 Ų | 107 | 125.4 Ų | 125.4 | 55% | 0.549 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -62.7 | -43 | 175.5 | -66 | 167.5 | 0 | 0 | 0 | 110.2 | I1074 M1075 H1081 S1082 | I1074-I1078 HydrophobicContact CG2-CD1 3.78Å; I1074-I1078 HydrophobicContact CG2-CG1 4.49Å; I1074-I1078 WeakPolarHBondContact O-CG1 3.46Å; I1074-I1078 PolarHBondContact O-N 3Å; M1075-I1078 PolarHBondContact O-N 3.14Å; I1078-H1081 PolarHBondContact O-N 3.41Å; I1078-S1082 PolarHBondContact O-N 3.03Å; I1078-S1082 PolarHBondContact O-OG 3.5Å |
| 1079 | K | 72.3 | Confident | 65.6 | Low | 159 Ų | 159 | 124.5 Ų | 124.5 | 69% | 0.691 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -62.9 | -39.8 | 176.6 | -92.6 | -167.4 | 169.5 | -168.4 | 0 | 113.6 | M1075 S1076 R1077 S1082 | M1075-K1079 PolarHBondContact O-N 3.16Å; S1076-K1079 PolarHBondContact O-N 3.39Å; R1077-K1079 VanDerWaalsContact C-N 3.34Å; K1079-S1082 WeakPolarHBondContact O-CB 3.44Å; K1079-S1082 PolarHBondContact O-N 3.06Å; K1079-S1082 VanDerWaalsContact O-N 3.16Å |
| 1080 | L | 57 | Low | 62.6 | Low | 114 Ų | 114 | 124.5 Ų | 124.5 | 60% | 0.597 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -62.8 | -50.8 | 177.4 | -71.5 | 168 | 0 | 0 | 0 | 110.6 | S1076 R1077 S1082 N1083 | S1076-L1080 WeakPolarHBondContact O-CG 3.41Å; S1076-L1080 PolarHBondContact O-N 3.36Å; R1077-L1080 PolarHBondContact O-N 3.44Å; L1080-S1082 PolarHBondContact O-N 3.23Å; L1080-N1083 PolarHBondContact O-N 3.09Å; L1080-N1083 VanDerWaalsContact O-N 3.09Å |
| 1081 | H | 51.4 | Low | 59.5 | Low | 140 Ų | 140 | 121.8 Ų | 121.8 | 65% | 0.648 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | 5.6 | 174.1 | -59 | -42.9 | 0 | 0 | 0 | 115 | R1077 I1078 | R1077-H1081 PolarHBondContact O-CD2 3.36Å; R1077-H1081 PolarHBondContact O-N 3Å; I1078-H1081 PolarHBondContact O-N 3.41Å |
| 1082 | S | 48 | Very low | 56.5 | Low | 77 Ų | 77 | 123.7 Ų | 123.7 | 54% | 0.538 | 63% | 0.629 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.9 | -16.5 | 171.3 | -54.2 | 0 | 0 | 0 | 0 | 113 | I1078 K1079 L1080 | I1078-S1082 PolarHBondContact O-N 3.03Å; I1078-S1082 PolarHBondContact O-OG 3.5Å; K1079-S1082 WeakPolarHBondContact O-CB 3.44Å; K1079-S1082 PolarHBondContact O-N 3.06Å; K1079-S1082 VanDerWaalsContact O-N 3.16Å; L1080-S1082 PolarHBondContact O-N 3.23Å |
| 1083 | N | 47.5 | Very low | 53.8 | Low | 117 Ų | 117 | 126.9 Ų | 126.9 | 63% | 0.626 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.1 | -20.7 | -173.6 | -75.2 | 5.6 | 0 | 0 | 0 | 113.9 | L1080 D1085 | L1080-N1083 PolarHBondContact O-N 3.09Å; L1080-N1083 VanDerWaalsContact O-N 3.09Å; N1083-D1085 VanDerWaalsContact C-N 3.33Å; N1083-D1085 PolarHBondContact O-N 3Å |
| 1084 | D | 46.8 | Very low | 50.9 | Low | 115 Ų | 115 | 131.3 Ų | 131.3 | 62% | 0.615 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | -21 | -172.8 | -61.6 | -30.1 | 0 | 0 | 0 | 113.6 | | |
| 1085 | D | 46.6 | Very low | 48.3 | Very low | 156 Ų | 156 | 131.6 Ų | 131.6 | 83% | 0.834 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | 0.5 | -174 | -84.3 | -13.6 | 0 | 0 | 0 | 115.4 | N1083 | N1083-D1085 VanDerWaalsContact C-N 3.33Å; N1083-D1085 PolarHBondContact O-N 3Å |
| 1086 | Y | 35.3 | Very low | 45.8 | Very low | 207 Ų | 207 | 132.8 Ų | 132.8 | 81% | 0.812 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.4 | -5.5 | -172.1 | -144.1 | -94.9 | 0 | 0 | 0 | 116.9 | | |
| 1087 | N | 34.7 | Very low | 43.6 | Very low | 131 Ų | 131 | 136.1 Ų | 136.1 | 70% | 0.701 | 70% | 0.699 | S | S | * | * | | | trans | -124.1 | 30.3 | -176.6 | -76.8 | -29.9 | 0 | 0 | 0 | 114.1 | T1089 | N1087-T1089 PolarHBondContact O-N 2.84Š|
| 1088 | Q | 33.1 | Very low | 41.4 | Very low | 186 Ų | 186 | 137.1 Ų | 137.1 | 87% | 0.869 | 71% | 0.708 | S | S | * | * | | | trans | -81.6 | 52 | 163.2 | -161.4 | 167 | 74.5 | 0 | 0 | 110.8 | I1090 | Q1088-I1090 PolarHBondContact O-N 3.01Š|
| 1089 | T | 34.1 | Very low | 39.2 | Very low | 108 Ų | 108 | 137.8 Ų | 137.8 | 66% | 0.663 | 71% | 0.712 | S | S | * | * | | | trans | -71.8 | 115.1 | 167.1 | -44.3 | 0 | 0 | 0 | 0 | 107 | N1087 N1091 | N1087-T1089 PolarHBondContact O-N 2.84Å; T1089-N1091 PolarHBondContact O-N 2.72Å; T1089-N1091 VanDerWaalsContact O-N 3.15Å |
| 1090 | I | 31.4 | Very low | 37.2 | Very low | 129 Ų | 129 | 135 Ų | 135 | 66% | 0.662 | 71% | 0.708 | S | S | * | * | | | trans | -65.4 | 113.2 | -175.6 | -63.7 | 164.1 | 0 | 0 | 0 | 109.1 | Q1088 N1092 | Q1088-I1090 PolarHBondContact O-N 3.01Å; I1090-N1092 VanDerWaalsContact C-N 3.28Å; I1090-N1092 WeakPolarHBondContact CG2-OD1 3.41Å; I1090-N1092 PolarHBondContact O-N 3.14Å |
| 1091 | N | 31.1 | Very low | 35.9 | Very low | 139 Ų | 139 | 136.8 Ų | 136.8 | 74% | 0.743 | 72% | 0.719 | S | S | * | * | | | trans | -71.6 | 79 | 175.6 | -77.9 | -5.2 | 0 | 0 | 0 | 111.1 | T1089 E1093 | T1089-N1091 PolarHBondContact O-N 2.72Å; T1089-N1091 VanDerWaalsContact O-N 3.15Å; N1091-E1093 PolarHBondContact O-N 3.26Å; N1091-E1093 VanDerWaalsContact O-N 3.09Å |
| 1092 | N | 31.2 | Very low | 35 | Very low | 143 Ų | 143 | 136 Ų | 136 | 77% | 0.765 | 72% | 0.723 | S | S | * | * | | | trans | -81.2 | 59.8 | 170.7 | -78.5 | -16.1 | 0 | 0 | 0 | 111.5 | I1090 | I1090-N1092 VanDerWaalsContact C-N 3.28Å; I1090-N1092 WeakPolarHBondContact CG2-OD1 3.41Å; I1090-N1092 PolarHBondContact O-N 3.14Å |
| 1093 | E | 32 | Very low | 34.2 | Very low | 157 Ų | 157 | 138 Ų | 138 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | | | trans | -102.3 | -11.8 | 176.1 | -76.1 | -172.1 | 144.9 | 0 | 0 | 114 | N1091 S1095 | N1091-E1093 PolarHBondContact O-N 3.26Å; N1091-E1093 VanDerWaalsContact O-N 3.09Å; E1093-S1095 PolarHBondContact O-N 3.29Å |
| 1094 | S | 30.5 | Very low | 33.4 | Very low | 122 Ų | 122 | 141 Ų | 141 | 85% | 0.853 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | 22.2 | -172.1 | 74.6 | 0 | 0 | 0 | 0 | 116.1 | | |
| 1095 | S | 34.6 | Very low | 32.6 | Very low | 96 Ų | 96 | 143 Ų | 143 | 67% | 0.671 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.3 | -3.5 | -174.6 | -160.7 | 0 | 0 | 0 | 0 | 116.4 | E1093 | E1093-S1095 PolarHBondContact O-N 3.29Š|
| 1096 | M | 29.2 | Very low | 31.9 | Very low | 140 Ų | 140 | 143.1 Ų | 143.1 | 69% | 0.69 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -88.6 | -27.9 | 178 | -70.9 | -64.4 | -77.2 | 0 | 0 | 113.5 | K1098 L1099 | M1096-K1098 PolarHBondContact O-N 3.29Å; M1096-L1099 PolarHBondContact O-N 3.14Å |
| 1097 | D | 32.9 | Very low | 31.3 | Very low | 141 Ų | 141 | 136.9 Ų | 136.9 | 75% | 0.754 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | -7.9 | -177.1 | -71.2 | -15.5 | 0 | 0 | 0 | 115.2 | | |
| 1098 | K | 32.6 | Very low | 31.1 | Very low | 195 Ų | 195 | 138.7 Ų | 138.7 | 85% | 0.848 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | -4.5 | 177 | -76.9 | -168.4 | 175.2 | -177.2 | 0 | 115.1 | M1096 | M1096-K1098 PolarHBondContact O-N 3.29Š|
| 1099 | L | 30.1 | Very low | 30.9 | Very low | 121 Ų | 121 | 135.9 Ų | 135.9 | 63% | 0.634 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -102.7 | -10.3 | -178.8 | -95.8 | 158.3 | 0 | 0 | 0 | 114.6 | M1096 | M1096-L1099 PolarHBondContact O-N 3.14Š|
| 1100 | T | 30.8 | Very low | 30.6 | Very low | 100 Ų | 100 | 141.4 Ų | 141.4 | 61% | 0.613 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -16.3 | -172.3 | -38.4 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1101 | N | 29.7 | Very low | 30.4 | Very low | 153 Ų | 153 | 140.5 Ų | 140.5 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | 11.5 | -170.9 | -74.3 | -5.5 | 0 | 0 | 0 | 116 | | |
| 1102 | T | 33.5 | Very low | 30.1 | Very low | 122 Ų | 122 | 144.6 Ų | 144.6 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -127.1 | 0.7 | -179.9 | -25.9 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1103 | V | 31.7 | Very low | 29.5 | Very low | 119 Ų | 119 | 143 Ų | 143 | 72% | 0.721 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -104.2 | 3.9 | -172.1 | -169.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1104 | Q | 30.7 | Very low | 29.2 | Very low | 181 Ų | 181 | 144.8 Ų | 144.8 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -98.3 | -3.5 | -173.8 | -145.9 | 159.6 | 13.5 | 0 | 0 | 115.1 | | |
| 1105 | D | 30 | Very low | 29 | Very low | 157 Ų | 157 | 147 Ų | 147 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -106.2 | 6.1 | -173.4 | -86.7 | -14.4 | 0 | 0 | 0 | 115.8 | | |
| 1106 | I | 30.3 | Very low | 28.3 | Very low | 159 Ų | 159 | 150.8 Ų | 150.8 | 82% | 0.815 | 78% | 0.778 | S | S | * | * | | | trans | -128.8 | 75.1 | 172.1 | -49.4 | -178.7 | 0 | 0 | 0 | 110.6 | | |
| 1107 | G | 23.3 | Very low | 28.1 | Very low | 76 Ų | 76 | 151.7 Ų | 151.7 | 78% | 0.784 | 78% | 0.781 | S | S | * | * | | | trans | -99 | 62.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1108 | E | 31.4 | Very low | 27.9 | Very low | 168 Ų | 168 | 151.9 Ų | 151.9 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | | | trans | -125.7 | 101.3 | 172.8 | -70.5 | -160.4 | 159.6 | 0 | 0 | 113.7 | | |
| 1109 | I | 27.4 | Very low | 27.4 | Very low | 128 Ų | 128 | 147.6 Ų | 147.6 | 66% | 0.656 | 78% | 0.776 | S | S | * | * | | | | 47.5 | 108.1 | 129.3 | -51.5 | 159.5 | 0 | 0 | 0 | 117.6 | | |
| 1110 | Y | 28 | Very low | 27 | Very low | 224 Ų | 224 | 148 Ų | 148 | 88% | 0.878 | 78% | 0.784 | S | S | * | * | | | | 175.3 | 114.3 | 115 | -97.3 | -64.7 | 0 | 0 | 0 | 111.7 | | |
| 1111 | P | 26.9 | Very low | 26.6 | Very low | 109 Ų | 109 | 148.6 Ų | 148.6 | 71% | 0.708 | 79% | 0.793 | S | S | * | * | | | trans | -105.2 | 111.9 | 171.4 | 34.3 | -24.7 | 0 | 0 | 0 | 111.2 | | |
| 1112 | Y | 24.7 | Very low | 26.5 | Very low | 226 Ų | 226 | 148.2 Ų | 148.2 | 89% | 0.886 | 80% | 0.796 | S | S | * | * | | | trans | -155.2 | 117 | 154.4 | -114.4 | -71 | 0 | 0 | 0 | 114 | K1114 | Y1112-K1114 PolarHBondContact O-N 3.38Š|
| 1113 | S | 20.1 | Very low | 26 | Very low | 109 Ų | 109 | 150 Ų | 150 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | | | trans | -73.8 | 115.4 | 165.9 | 53.1 | 0 | 0 | 0 | 0 | 111 | | |
| 1114 | K | 25.8 | Very low | 25.5 | Very low | 194 Ų | 194 | 150 Ų | 150 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | | | trans | -171.5 | 99 | 157.4 | -113 | 175.5 | -175.7 | -179.3 | 0 | 111.6 | Y1112 | Y1112-K1114 PolarHBondContact O-N 3.38Š|
| 1115 | L | 25.9 | Very low | 25.2 | Very low | 170 Ų | 170 | 149.4 Ų | 149.4 | 89% | 0.89 | 79% | 0.793 | S | S | * | * | | | trans | -172.1 | 86 | 143.9 | -106.3 | 153.9 | 0 | 0 | 0 | 109.6 | | |
| 1116 | Q | 19.9 | Very low | 25 | Very low | 175 Ų | 175 | 149.8 Ų | 149.8 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | -97 | 148.7 | 162 | -149.1 | 175.3 | 21.4 | 0 | 0 | 106.8 | | |
| 1117 | Q | 24.1 | Very low | 24.6 | Very low | 159 Ų | 159 | 148 Ų | 148 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | | | trans | 73.1 | 91.9 | 173.8 | -50.1 | 177 | 12.1 | 0 | 0 | 117.3 | | |
| 1118 | V | 28.5 | Very low | 24.6 | Very low | 145 Ų | 145 | 150.4 Ų | 150.4 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | | | trans | -126.6 | 114.2 | 130.2 | 177.8 | 0 | 0 | 0 | 0 | 107.6 | | |
| 1119 | T | 22 | Very low | 24.4 | Very low | 104 Ų | 104 | 147.3 Ų | 147.3 | 64% | 0.638 | 78% | 0.783 | S | S | * | * | | | trans | -92.1 | 133.6 | -176.3 | -16 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1120 | T | 22.4 | Very low | 24.4 | Very low | 129 Ų | 129 | 146.9 Ų | 146.9 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | | | trans | 41.7 | 93.2 | 146.6 | 53.8 | 0 | 0 | 0 | 0 | 119.4 | | |
| 1121 | S | 23.2 | Very low | 24.2 | Very low | 114 Ų | 114 | 144.7 Ų | 144.7 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | | | trans | -172.3 | 70.4 | 145.3 | 61.9 | 0 | 0 | 0 | 0 | 115.4 | | |
| 1122 | V | 27.6 | Very low | 24.1 | Very low | 145 Ų | 145 | 145 Ų | 145 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | | | trans | -141.1 | 82.6 | 152.6 | -169.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1123 | L | 21.3 | Very low | 24 | Very low | 159 Ų | 159 | 142.1 Ų | 142.1 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | | | trans | -107 | 106.1 | 163.3 | -175.2 | 78.3 | 0 | 0 | 0 | 107 | | |
| 1124 | N | 22.4 | Very low | 24.1 | Very low | 120 Ų | 120 | 143.7 Ų | 143.7 | 64% | 0.642 | 79% | 0.79 | S | S | * | * | | | trans | 149.3 | 154.4 | 152.3 | -76.7 | -23.9 | 0 | 0 | 0 | 112.3 | | |
| 1125 | H | 24.9 | Very low | 23.9 | Very low | 168 Ų | 168 | 139.8 Ų | 139.8 | 78% | 0.778 | 79% | 0.787 | S | S | * | * | | | trans | 78.8 | 63.6 | 168 | -47.5 | -52.2 | 0 | 0 | 0 | 119 | | |
| 1126 | I | 24.6 | Very low | 23.8 | Very low | 165 Ų | 165 | 138.2 Ų | 138.2 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | | | trans | -125.7 | 101.2 | 133.5 | -58.4 | -177.4 | 0 | 0 | 0 | 108.3 | V1128 | I1126-V1128 PolarHBondContact O-N 3.17Š|
| 1127 | T | 22.3 | Very low | 23.9 | Very low | 122 Ų | 122 | 136 Ų | 136 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 117.2 | 174.9 | -56.7 | 0 | 0 | 0 | 0 | 109.2 | P1129 | T1127-P1129 WeakPolarHBondContact O-CD 3.48Š|
| 1128 | V | 23.9 | Very low | 24 | Very low | 126 Ų | 126 | 136.6 Ų | 136.6 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 122.9 | 174.3 | -176.7 | 0 | 0 | 0 | 0 | 109 | I1126 | I1126-V1128 PolarHBondContact O-N 3.17Š|
| 1129 | P | 26.8 | Very low | 23.7 | Very low | 102 Ų | 102 | 134.6 Ų | 134.6 | 66% | 0.662 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 144.1 | 179.4 | -21.4 | 33.6 | 0 | 0 | 0 | 112.3 | T1127 L1131 | T1127-P1129 WeakPolarHBondContact O-CD 3.48Å; P1129-L1131 PolarHBondContact O-N 3.42Å; P1129-L1131 VanDerWaalsContact O-N 3.14Å |
| 1130 | P | 26.6 | Very low | 23.7 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | | | trans | -72.7 | 107.3 | 176.8 | 29.4 | -33.1 | 0 | 0 | 0 | 110.4 | V1132 | P1130-V1132 PolarHBondContact O-N 3.26Å; P1130-V1132 VanDerWaalsContact O-N 3.08Å |
| 1131 | L | 24.6 | Very low | 23.8 | Very low | 178 Ų | 178 | 138 Ų | 138 | 93% | 0.932 | 79% | 0.785 | S | S | * | * | | | trans | -68.3 | 106.1 | 170.4 | -95.3 | 163.8 | 0 | 0 | 0 | 109.8 | P1129 L1133 | P1129-L1131 PolarHBondContact O-N 3.42Å; P1129-L1131 VanDerWaalsContact O-N 3.14Å; L1131-L1133 PolarHBondContact O-N 3.03Å |
| 1132 | V | 24.4 | Very low | 23.9 | Very low | 114 Ų | 114 | 139.1 Ų | 139.1 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | | | trans | -62 | 124.7 | 179 | 174.4 | 0 | 0 | 0 | 0 | 109.9 | P1130 N1134 | P1130-V1132 PolarHBondContact O-N 3.26Å; P1130-V1132 VanDerWaalsContact O-N 3.08Å; V1132-N1134 VanDerWaalsContact C-N 3.27Å; V1132-N1134 PolarHBondContact O-N 2.8Å |
| 1133 | L | 21.9 | Very low | 23.7 | Very low | 167 Ų | 167 | 136 Ų | 136 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | | | trans | -72.2 | 78.2 | 176.8 | -172.4 | 73.2 | 0 | 0 | 0 | 110.4 | L1131 S1135 | L1131-L1133 PolarHBondContact O-N 3.03Å; L1133-S1135 PolarHBondContact O-N 3.45Å |
| 1134 | N | 23.8 | Very low | 23.9 | Very low | 142 Ų | 142 | 135.9 Ų | 135.9 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | | | trans | -71.7 | 97.9 | 173.6 | -93.3 | -4.9 | 0 | 0 | 0 | 110.4 | V1132 L1136 | V1132-N1134 VanDerWaalsContact C-N 3.27Å; V1132-N1134 PolarHBondContact O-N 2.8Å; N1134-L1136 VanDerWaalsContact C-N 3.31Å; N1134-L1136 PolarHBondContact O-N 2.88Å |
| 1135 | S | 21.4 | Very low | 23.8 | Very low | 112 Ų | 112 | 136.1 Ų | 136.1 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | | | trans | -68.7 | 82.5 | 170 | 53.9 | 0 | 0 | 0 | 0 | 110.9 | L1133 T1137 | L1133-S1135 PolarHBondContact O-N 3.45Å; S1135-T1137 PolarHBondContact O-N 2.89Å |
| 1136 | L | 23.3 | Very low | 23.8 | Very low | 137 Ų | 137 | 136.1 Ų | 136.1 | 72% | 0.717 | 78% | 0.781 | S | S | * | * | | | trans | -81.1 | 109.2 | 174.8 | -166.7 | 66.5 | 0 | 0 | 0 | 110.3 | N1134 H1138 | N1134-L1136 VanDerWaalsContact C-N 3.31Å; N1134-L1136 PolarHBondContact O-N 2.88Å; L1136-H1138 PolarHBondContact O-N 2.94Å; L1136-H1138 VanDerWaalsContact O-N 3.16Å |
| 1137 | T | 22.6 | Very low | 23.8 | Very low | 129 Ų | 129 | 133.4 Ų | 133.4 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | | | trans | -68.3 | 104.7 | 176.4 | 44 | 0 | 0 | 0 | 0 | 111.4 | S1135 S1139 | S1135-T1137 PolarHBondContact O-N 2.89Å; T1137-S1139 PolarHBondContact O-N 2.78Å |
| 1138 | H | 25.8 | Very low | 23.8 | Very low | 170 Ų | 170 | 134.6 Ų | 134.6 | 79% | 0.787 | 78% | 0.784 | S | S | * | * | | | trans | -80.3 | 116.2 | 162.3 | -78.5 | -68.8 | 0 | 0 | 0 | 110.6 | L1136 S1140 | L1136-H1138 PolarHBondContact O-N 2.94Å; L1136-H1138 VanDerWaalsContact O-N 3.16Å; H1138-S1140 PolarHBondContact O-N 2.83Å |
| 1139 | S | 21.8 | Very low | 23.7 | Very low | 103 Ų | 103 | 133.6 Ų | 133.6 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | | | trans | -65.3 | 121.3 | 176.8 | 37.6 | 0 | 0 | 0 | 0 | 111.4 | T1137 Q1141 | T1137-S1139 PolarHBondContact O-N 2.78Å; S1139-Q1141 VanDerWaalsContact C-N 3.3Å; S1139-Q1141 PolarHBondContact O-N 2.94Å |
| 1140 | S | 21.9 | Very low | 23.4 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | | | trans | -68.9 | 86.3 | 164.7 | 167.6 | 0 | 0 | 0 | 0 | 109.5 | H1138 E1142 | H1138-S1140 PolarHBondContact O-N 2.83Å; S1140-E1142 PolarHBondContact O-N 2.67Å |
| 1141 | Q | 25.4 | Very low | 23.2 | Very low | 183 Ų | 183 | 135 Ų | 135 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | | | trans | -79.8 | 120.6 | 177.8 | -156 | 165.7 | 12.8 | 0 | 0 | 110.5 | S1139 G1143 | S1139-Q1141 VanDerWaalsContact C-N 3.3Å; S1139-Q1141 PolarHBondContact O-N 2.94Å; Q1141-G1143 PolarHBondContact O-N 2.86Å; Q1141-G1143 VanDerWaalsContact O-N 3.11Å |
| 1142 | E | 24.2 | Very low | 23.1 | Very low | 139 Ų | 139 | 134.4 Ų | 134.4 | 65% | 0.65 | 78% | 0.781 | S | S | * | * | | | trans | -67.4 | 105.8 | -170.9 | -61.6 | -176.5 | 149.2 | 0 | 0 | 112.9 | S1140 K1144 | S1140-E1142 PolarHBondContact O-N 2.67Å; E1142-K1144 PolarHBondContact O-N 2.95Å; E1142-K1144 IonicContact OE2-NZ 3.84Å; E1142-K1144 PolarHBondContact OE2-NZ 3.42Å |
| 1143 | G | 23.8 | Very low | 23 | Very low | 78 Ų | 78 | 133.9 Ų | 133.9 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | trans | -69.6 | 71.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q1141 C1145 | Q1141-G1143 PolarHBondContact O-N 2.86Å; Q1141-G1143 VanDerWaalsContact O-N 3.11Å; G1143-C1145 PolarHBondContact O-N 3.23Å |
| 1144 | K | 25.1 | Very low | 23.1 | Very low | 157 Ų | 157 | 132.4 Ų | 132.4 | 68% | 0.683 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 117.5 | 174.9 | -88.1 | 179.4 | 171.5 | 108 | 0 | 110.6 | E1142 I1146 | E1142-K1144 PolarHBondContact O-N 2.95Å; E1142-K1144 IonicContact OE2-NZ 3.84Å; E1142-K1144 PolarHBondContact OE2-NZ 3.42Å; K1144-I1146 PolarHBondContact O-N 3.42Å |
| 1145 | C | 19.9 | Very low | 23.2 | Very low | 126 Ų | 126 | 133.6 Ų | 133.6 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 117.4 | 168.9 | -65.8 | 0 | 0 | 0 | 0 | 109.8 | G1143 | G1143-C1145 PolarHBondContact O-N 3.23Š|
| 1146 | I | 26.6 | Very low | 23.2 | Very low | 168 Ų | 168 | 135.2 Ų | 135.2 | 86% | 0.862 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 133.6 | 172.6 | -51.5 | -179.8 | 0 | 0 | 0 | 108.4 | K1144 | K1144-I1146 PolarHBondContact O-N 3.42Š|
| 1147 | S | 22.8 | Very low | 23.2 | Very low | 107 Ų | 107 | 136.4 Ų | 136.4 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 148.3 | -164.8 | -62.5 | 0 | 0 | 0 | 0 | 114 | S1149 | S1147-S1149 PolarHBondContact O-N 2.91Š|
| 1148 | T | 22.8 | Very low | 23.3 | Very low | 147 Ų | 147 | 134.3 Ų | 134.3 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 119 | 168.7 | 42.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1149 | S | 22.2 | Very low | 23.2 | Very low | 106 Ų | 106 | 133 Ų | 133 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | | | trans | -166.9 | 149 | 157 | 62.6 | 0 | 0 | 0 | 0 | 108.5 | S1147 | S1147-S1149 PolarHBondContact O-N 2.91Š|
| 1150 | C | 21 | Very low | 23.6 | Very low | 107 Ų | 107 | 137.5 Ų | 137.5 | 72% | 0.723 | 78% | 0.778 | S | S | * | * | | | cis | -175 | 135.2 | -13.6 | -101.8 | 0 | 0 | 0 | 0 | 103.5 | | |
| 1151 | I | 21.8 | Very low | 23.6 | Very low | 143 Ų | 143 | 141 Ų | 141 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | | | trans | 57.4 | 107.3 | 149.4 | -48.7 | 164.5 | 0 | 0 | 0 | 117.6 | | |
| 1152 | L | 23.3 | Very low | 24 | Very low | 167 Ų | 167 | 139.7 Ų | 139.7 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | | | | -157.8 | 105.9 | 125 | -140.1 | 78.8 | 0 | 0 | 0 | 111.7 | | |
| 1153 | P | 21.7 | Very low | 24.1 | Very low | 102 Ų | 102 | 142 Ų | 142 | 66% | 0.662 | 79% | 0.787 | S | S | * | * | | | trans | -95 | 112.3 | 166.3 | 33 | -25.4 | 0 | 0 | 0 | 109.5 | | |
| 1154 | N | 23 | Very low | 24 | Very low | 137 Ų | 137 | 145.3 Ų | 145.3 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | | | trans | -178.7 | 107.4 | 155.3 | -95.2 | -21.6 | 0 | 0 | 0 | 109.5 | | |
| 1155 | N | 25.9 | Very low | 24.2 | Very low | 167 Ų | 167 | 143.4 Ų | 143.4 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | | | | -163 | 119.4 | 118.9 | -98.3 | -21.8 | 0 | 0 | 0 | 110.3 | | |
| 1156 | I | 22.3 | Very low | 24.3 | Very low | 145 Ų | 145 | 145.5 Ų | 145.5 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | | | trans | -75.7 | 126.3 | 175.6 | -70.4 | 156.3 | 0 | 0 | 0 | 107.4 | P1158 | I1156-P1158 HydrophobicContact CG2-CG 4.09Š|
| 1157 | N | 24 | Very low | 24.5 | Very low | 163 Ų | 163 | 142.4 Ų | 142.4 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | | | trans | -136.8 | 94.3 | 162.8 | -155 | 12.4 | 0 | 0 | 0 | 108.7 | | |
| 1158 | P | 23.7 | Very low | 24.5 | Very low | 84 Ų | 84 | 143.2 Ų | 143.2 | 55% | 0.545 | 78% | 0.781 | S | S | . | * | | | trans | -93.5 | 173.6 | 179.7 | 36.9 | -27.2 | 0 | 0 | 0 | 110.7 | I1156 | I1156-P1158 HydrophobicContact CG2-CG 4.09Š|
| 1159 | D | 24.6 | Very low | 25 | Very low | 142 Ų | 142 | 143 Ų | 143 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | | | trans | 60 | 99.7 | 169.8 | -62.1 | -31.6 | 0 | 0 | 0 | 117.3 | | |
| 1160 | K | 30.5 | Very low | 25.1 | Very low | 199 Ų | 199 | 147 Ų | 147 | 87% | 0.865 | 78% | 0.781 | S | S | * | * | | | | -153 | 124.6 | 102.6 | -101.4 | 158.1 | -172.8 | -176 | 0 | 111.3 | | |
| 1161 | K | 21.7 | Very low | 25.4 | Very low | 195 Ų | 195 | 148.8 Ų | 148.8 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | | | trans | -88.2 | 131 | 159 | -65.6 | 173.5 | 178 | 174.9 | 0 | 106.5 | | |
| 1162 | D | 32.6 | Very low | 25.4 | Very low | 154 Ų | 154 | 147.3 Ų | 147.3 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | | | trans | -145.2 | 154.2 | 156 | -86.2 | -51.9 | 0 | 0 | 0 | 109.1 | | |
| 1163 | H | 25.8 | Very low | 25.5 | Very low | 187 Ų | 187 | 148.1 Ų | 148.1 | 87% | 0.866 | 78% | 0.777 | S | S | * | * | | | trans | -90.2 | 157 | -164.7 | -80.3 | -76 | 0 | 0 | 0 | 114.3 | | |
| 1164 | L | 23.6 | Very low | 25.5 | Very low | 148 Ų | 148 | 150.8 Ų | 150.8 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | | | trans | -18.3 | 138.9 | 144 | -149.8 | 51.7 | 0 | 0 | 0 | 112.5 | | |
| 1165 | P | 28.5 | Very low | 25.9 | Very low | 118 Ų | 118 | 151.5 Ų | 151.5 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | | | | -144.3 | 159.2 | 60.7 | 39.1 | -19.4 | 0 | 0 | 0 | 121 | | |
| 1166 | E | 22.8 | Very low | 26.1 | Very low | 170 Ų | 170 | 152 Ų | 152 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | | | trans | -41.9 | 125.5 | 162.2 | -167.9 | 166.8 | -142.9 | 0 | 0 | 114.1 | | |
| 1167 | S | 29.4 | Very low | 26.2 | Very low | 103 Ų | 103 | 152.2 Ų | 152.2 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | | | trans | -128.1 | 110.6 | 167.7 | 59.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1168 | T | 24.3 | Very low | 26.6 | Very low | 123 Ų | 123 | 151.9 Ų | 151.9 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | | | trans | -87.6 | 105.8 | 175.1 | 47.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1169 | D | 31.8 | Very low | 26.8 | Very low | 143 Ų | 143 | 155.1 Ų | 155.1 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | | | trans | -108.6 | 99.8 | 166.2 | -76.1 | -38.7 | 0 | 0 | 0 | 109.6 | L1171 | D1169-L1171 PolarHBondContact O-N 3.17Š|
| 1170 | E | 24 | Very low | 27.2 | Very low | 190 Ų | 190 | 155.5 Ų | 155.5 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | | | trans | -75 | 108 | 164.4 | -71.7 | -177.1 | 139.5 | 0 | 0 | 108.8 | | |
| 1171 | L | 28 | Very low | 27.1 | Very low | 144 Ų | 144 | 152.9 Ų | 152.9 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | | | trans | -111.4 | 99.8 | 167.8 | -91.7 | 161.8 | 0 | 0 | 0 | 109.8 | D1169 F1173 | D1169-L1171 PolarHBondContact O-N 3.17Å; L1171-F1173 HydrophobicContact CD2-CE2 4.12Å |
| 1172 | T | 21.3 | Very low | 27.5 | Very low | 112 Ų | 112 | 150.5 Ų | 150.5 | 69% | 0.687 | 78% | 0.784 | S | S | * | * | | | trans | -82.6 | 124 | 172.9 | -48.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1173 | F | 25.9 | Very low | 27.5 | Very low | 184 Ų | 184 | 148.7 Ų | 148.7 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | | | trans | -129.9 | 132.2 | 159.8 | -82.9 | -80.6 | 0 | 0 | 0 | 109.4 | L1171 | L1171-F1173 HydrophobicContact CD2-CE2 4.12Š|
| 1174 | H | 22.2 | Very low | 27.8 | Very low | 159 Ų | 159 | 146.9 Ų | 146.9 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | | | trans | -89.3 | -173 | 166.9 | -81.9 | -75.1 | 0 | 0 | 0 | 109.5 | | |
| 1175 | D | 30.5 | Very low | 28.2 | Very low | 151 Ų | 151 | 149 Ų | 149 | 81% | 0.807 | 78% | 0.783 | S | S | * | * | | | trans | 81.4 | 134.8 | -177.1 | -48.2 | -25.5 | 0 | 0 | 0 | 113.3 | | |
| 1176 | E | 30.5 | Very low | 28.2 | Very low | 179 Ų | 179 | 151.9 Ų | 151.9 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | | | cis | -146.8 | 168.6 | -0.5 | -133 | 175.7 | -173.2 | 0 | 0 | 110.5 | | |
| 1177 | N | 25.3 | Very low | 28.6 | Very low | 149 Ų | 149 | 152.8 Ų | 152.8 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | | | trans | -75.4 | 140.1 | 177.5 | -59.6 | -77.7 | 0 | 0 | 0 | 110.5 | | |
| 1178 | D | 32.2 | Very low | 28.6 | Very low | 156 Ų | 156 | 158.1 Ų | 158.1 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | | | trans | -138.8 | 127 | 151 | -138.4 | -14 | 0 | 0 | 0 | 111.4 | | |
| 1179 | H | 27 | Very low | 29 | Very low | 151 Ų | 151 | 160.5 Ų | 160.5 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | | | trans | -88.8 | 108.9 | -176.9 | -79 | -71.7 | 0 | 0 | 0 | 109.9 | | |
| 1180 | N | 33.1 | Very low | 28.9 | Very low | 151 Ų | 151 | 161 Ų | 161 | 81% | 0.807 | 80% | 0.802 | S | S | * | * | | | trans | -122.9 | 108.7 | 154.6 | -80.7 | -61.4 | 0 | 0 | 0 | 109.5 | D1182 | N1180-D1182 PolarHBondContact O-N 3.48Š|
| 1181 | N | 28 | Very low | 29.2 | Very low | 144 Ų | 144 | 160.3 Ų | 160.3 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | | | trans | -83.2 | 105.2 | 170.9 | -57.4 | -72.8 | 0 | 0 | 0 | 107.6 | | |
| 1182 | D | 31.6 | Very low | 29.4 | Very low | 145 Ų | 145 | 159 Ų | 159 | 78% | 0.775 | 80% | 0.796 | S | S | * | * | | | trans | -112.8 | 116.9 | 150.7 | -109 | -36.2 | 0 | 0 | 0 | 107.4 | N1180 D1184 | N1180-D1182 PolarHBondContact O-N 3.48Å; D1182-D1184 VanDerWaalsContact C-N 3.32Å; D1182-D1184 PolarHBondContact O-N 3.32Å |
| 1183 | P | 31.1 | Very low | 29.8 | Very low | 116 Ų | 116 | 161.2 Ų | 161.2 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | | | trans | -80.9 | 82.9 | 178 | 32.7 | -32.2 | 0 | 0 | 0 | 109.2 | E1185 | P1183-E1185 PolarHBondContact O-N 3.49Š|
| 1184 | D | 33.3 | Very low | 30 | Very low | 149 Ų | 149 | 161.6 Ų | 161.6 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | | | trans | -49.8 | 127.9 | 172.6 | -83.3 | -36.9 | 0 | 0 | 0 | 110.6 | D1182 Q1186 | D1182-D1184 VanDerWaalsContact C-N 3.32Å; D1182-D1184 PolarHBondContact O-N 3.32Å; D1184-Q1186 PolarHBondContact O-N 3.42Å; D1184-Q1186 VanDerWaalsContact O-N 3.1Å |
| 1185 | E | 30.9 | Very low | 30.6 | Very low | 193 Ų | 193 | 161.5 Ų | 161.5 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | | | trans | -59.7 | 113.7 | -174.6 | -62.7 | -176 | 141 | 0 | 0 | 110.2 | P1183 E1187 | P1183-E1185 PolarHBondContact O-N 3.49Å; E1185-E1187 VanDerWaalsContact C-N 3.29Å; E1185-E1187 PolarHBondContact O-N 3.01Å |
| 1186 | Q | 30 | Very low | 31.1 | Very low | 178 Ų | 178 | 159.9 Ų | 159.9 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | | | trans | -71.8 | 90.4 | 172.7 | -72.2 | -167.9 | 1.4 | 0 | 0 | 109.8 | D1184 Y1188 | D1184-Q1186 PolarHBondContact O-N 3.42Å; D1184-Q1186 VanDerWaalsContact O-N 3.1Å; Q1186-Y1188 WeakPolarHBondContact O-CD2 3.42Å; Q1186-Y1188 PolarHBondContact O-N 2.94Å; Q1186-Y1188 VanDerWaalsContact O-N 3.08Å |
| 1187 | E | 29.6 | Very low | 31.7 | Very low | 189 Ų | 189 | 155.9 Ų | 155.9 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | | | trans | -50.1 | 112.3 | 164.7 | -129.4 | -176.6 | 174.3 | 0 | 0 | 108.7 | E1185 E1189 | E1185-E1187 VanDerWaalsContact C-N 3.29Å; E1185-E1187 PolarHBondContact O-N 3.01Å; E1187-E1189 PolarHBondContact O-N 3.44Å |
| 1188 | Y | 30.3 | Very low | 32.6 | Very low | 214 Ų | 214 | 153.5 Ų | 153.5 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | | | trans | -68.8 | 100.1 | 178 | -89.3 | -104.4 | 0 | 0 | 0 | 108.9 | Q1186 N1190 | Q1186-Y1188 WeakPolarHBondContact O-CD2 3.42Å; Q1186-Y1188 PolarHBondContact O-N 2.94Å; Q1186-Y1188 VanDerWaalsContact O-N 3.08Å; Y1188-N1190 VanDerWaalsContact C-N 3.31Å; Y1188-N1190 PolarHBondContact O-N 3.15Å |
| 1189 | E | 31.5 | Very low | 33.5 | Very low | 174 Ų | 174 | 151 Ų | 151 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | | | trans | -55.1 | 95.4 | 166 | -89.3 | -160.7 | 142.3 | 0 | 0 | 109.6 | E1187 K1191 | E1187-E1189 PolarHBondContact O-N 3.44Å; E1189-K1191 VanDerWaalsContact C-N 3.27Å; E1189-K1191 PolarHBondContact O-N 3.32Å |
| 1190 | N | 31 | Very low | 34.8 | Very low | 154 Ų | 154 | 147.5 Ų | 147.5 | 82% | 0.824 | 75% | 0.754 | S | S | * | * | | | trans | -65 | 91 | 167.4 | -87.5 | -44.3 | 0 | 0 | 0 | 108.3 | Y1188 P1192 | Y1188-N1190 VanDerWaalsContact C-N 3.31Å; Y1188-N1190 PolarHBondContact O-N 3.15Å; N1190-P1192 VanDerWaalsContact O-N 3.16Å |
| 1191 | K | 30.5 | Very low | 36.2 | Very low | 175 Ų | 175 | 143.5 Ų | 143.5 | 76% | 0.761 | 73% | 0.733 | S | S | * | * | | | trans | -52.4 | 123.2 | 178.5 | -73.7 | -173.1 | 176.9 | 178.3 | 0 | 109.5 | E1189 I1193 | E1189-K1191 VanDerWaalsContact C-N 3.27Å; E1189-K1191 PolarHBondContact O-N 3.32Å; K1191-I1193 PolarHBondContact O-N 2.93Å |
| 1192 | P | 31.6 | Very low | 38.1 | Very low | 117 Ų | 117 | 139.2 Ų | 139.2 | 76% | 0.76 | 71% | 0.712 | S | S | * | * | | | trans | -61.7 | 129 | -174.4 | 23.1 | -33.2 | 0 | 0 | 0 | 110 | N1190 Q1194 | N1190-P1192 VanDerWaalsContact O-N 3.16Å; P1192-Q1194 PolarHBondContact O-N 3.5Å |
| 1193 | I | 29.7 | Very low | 39.8 | Very low | 157 Ų | 157 | 133.2 Ų | 133.2 | 81% | 0.805 | 68% | 0.679 | S | S | * | * | | | trans | -53.5 | 114.8 | 177.4 | -62.4 | 169.1 | 0 | 0 | 0 | 108.1 | K1191 L1195 | K1191-I1193 PolarHBondContact O-N 2.93Å; I1193-L1195 VanDerWaalsContact C-N 3.28Å; I1193-L1195 PolarHBondContact O-N 3.47Å |
| 1194 | Q | 30.3 | Very low | 41.7 | Very low | 193 Ų | 193 | 135 Ų | 135 | 90% | 0.902 | 67% | 0.671 | S | S | * | * | | | trans | -69 | 87.5 | 174.7 | -75 | -172.8 | -7.1 | 0 | 0 | 109.1 | P1192 D1196 | P1192-Q1194 PolarHBondContact O-N 3.5Å; Q1194-D1196 PolarHBondContact O-N 2.86Å |
| 1195 | L | 35.2 | Very low | 43.8 | Very low | 157 Ų | 157 | 132.3 Ų | 132.3 | 82% | 0.822 | 66% | 0.657 | S | S | * | * | | | trans | -72 | 128.5 | 173 | -150.7 | 78.8 | 0 | 0 | 0 | 109.5 | I1193 S1197 | I1193-L1195 VanDerWaalsContact C-N 3.28Å; I1193-L1195 PolarHBondContact O-N 3.47Å; L1195-S1197 PolarHBondContact O-N 2.79Å |
| 1196 | D | 40 | Very low | 46.2 | Very low | 117 Ų | 117 | 129.3 Ų | 129.3 | 63% | 0.626 | 64% | 0.637 | S | S | * | * | | | trans | -53.1 | 105.7 | -167.7 | -121.5 | -40.2 | 0 | 0 | 0 | 114.2 | Q1194 N1198 | Q1194-D1196 PolarHBondContact O-N 2.86Å; D1196-N1198 PolarHBondContact O-N 3.06Å; D1196-N1198 VanDerWaalsContact O-N 3.11Å; D1196-N1198 PolarHBondContact OD1-ND2 3.4Å |
| 1197 | S | 43 | Very low | 48.7 | Very low | 95 Ų | 95 | 122.7 Ų | 122.7 | 66% | 0.664 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -13.2 | 175.8 | 60.5 | 0 | 0 | 0 | 0 | 113.2 | L1195 N1199 D1200 | L1195-S1197 PolarHBondContact O-N 2.79Å; S1197-N1199 PolarHBondContact O-N 2.79Å; S1197-N1199 VanDerWaalsContact O-N 3.11Å; S1197-D1200 PolarHBondContact O-N 2.85Å |
| 1198 | N | 45.7 | Very low | 51.2 | Low | 98 Ų | 98 | 116.5 Ų | 116.5 | 52% | 0.524 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -57.4 | -22.5 | 179.1 | -75.9 | -47.8 | 0 | 0 | 0 | 114.7 | D1196 T1202 | D1196-N1198 PolarHBondContact O-N 3.06Å; D1196-N1198 VanDerWaalsContact O-N 3.11Å; D1196-N1198 PolarHBondContact OD1-ND2 3.4Å; N1198-T1202 WeakPolarHBondContact O-CB 3.41Å; N1198-T1202 PolarHBondContact O-N 3.16Å; N1198-T1202 PolarHBondContact O-OG1 3.2Å |
| 1199 | N | 50.2 | Low | 53.9 | Low | 105 Ų | 105 | 110.9 Ų | 110.9 | 56% | 0.561 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -73.3 | -39.7 | -176.1 | -137.4 | -11.9 | 0 | 0 | 0 | 112.6 | S1197 T1202 I1203 | S1197-N1199 PolarHBondContact O-N 2.79Å; S1197-N1199 VanDerWaalsContact O-N 3.11Å; N1199-T1202 PolarHBondContact O-N 2.89Å; N1199-I1203 PolarHBondContact O-N 3.08Å; N1199-I1203 VanDerWaalsContact O-N 3.14Å |
| 1200 | D | 55.1 | Low | 56.6 | Low | 77 Ų | 77 | 103.3 Ų | 103.3 | 41% | 0.412 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66 | -42.8 | 176.8 | -101.6 | -3 | 0 | 0 | 0 | 111.4 | S1197 T1202 I1203 R1204 L1240 | S1197-D1200 PolarHBondContact O-N 2.85Å; D1200-T1202 VanDerWaalsContact C-N 3.34Å; D1200-I1203 PolarHBondContact O-N 2.85Å; D1200-R1204 WeakPolarHBondContact O-CB 3.36Å; D1200-R1204 PolarHBondContact O-N 3.28Å; D1200-L1240 WeakPolarHBondContact OD1-CD1 3.44Å |
| 1201 | D | 61.8 | Low | 59.2 | Low | 67 Ų | 67 | 98.5 Ų | 98.5 | 36% | 0.358 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.8 | -35.4 | 175.8 | -84.5 | -22.7 | 0 | 0 | 0 | 112.1 | I1203 R1204 N1205 | D1201-I1203 PolarHBondContact O-N 3.45Å; D1201-R1204 PolarHBondContact O-N 3.28Å; D1201-R1204 IonicContact OD1-CZ 3.35Å; D1201-R1204 VanDerWaalsContact OD1-CZ 3.24Å; D1201-R1204 IonicContact OD1-NE 2.59Å; D1201-R1204 IonicContact OD1-NH1 3.84Å; D1201-R1204 PolarHBondContact OD1-NH1 3.04Å; D1201-R1204 IonicContact OD1-NH2 2.92Å; D1201-N1205 WeakPolarHBondContact O-CB 3.2Å; D1201-N1205 PolarHBondContact O-N 3.39Å; D1201-N1205 PolarHBondContact O-ND2 3.4Å; D1201-N1205 VanDerWaalsContact O-ND2 3.1Å |
| 1202 | T | 66.8 | Low | 62 | Low | 54 Ų | 54 | 94.9 Ų | 94.9 | 33% | 0.331 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 174.1 | -63.4 | 0 | 0 | 0 | 0 | 111.9 | N1198 N1199 D1200 R1206 | N1198-T1202 WeakPolarHBondContact O-CB 3.41Å; N1198-T1202 PolarHBondContact O-N 3.16Å; N1198-T1202 PolarHBondContact O-OG1 3.2Å; N1199-T1202 PolarHBondContact O-N 2.89Å; D1200-T1202 VanDerWaalsContact C-N 3.34Å; T1202-R1206 VanDerWaalsContact O-CG 3.25Å; T1202-R1206 WeakPolarHBondContact O-CG 3.37Å; T1202-R1206 PolarHBondContact O-N 3.19Å; T1202-R1206 VanDerWaalsContact O-N 3.11Å |
| 1203 | I | 67.6 | Low | 65.1 | Low | 19 Ų | 19 | 92 Ų | 92 | 10% | 0.097 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -70.5 | -43.1 | 177.1 | -65.9 | 168.4 | 0 | 0 | 0 | 110.9 | N1199 D1200 D1201 N1205 R1206 A1207 N1236 Q1237 L1240 | N1199-I1203 PolarHBondContact O-N 3.08Å; N1199-I1203 VanDerWaalsContact O-N 3.14Å; D1200-I1203 PolarHBondContact O-N 2.85Å; D1201-I1203 PolarHBondContact O-N 3.45Å; I1203-N1205 VanDerWaalsContact C-N 3.34Å; I1203-N1205 PolarHBondContact O-N 2.94Å; I1203-R1206 PolarHBondContact O-N 3.25Å; I1203-A1207 PolarHBondContact O-N 2.93Å; I1203-N1236 HydrophobicContact CD1-CB 4.09Å; I1203-N1236 HydrophobicContact CG1-CB 4.47Å; I1203-Q1237 HydrophobicContact CG2-CG 4.44Å; I1203-L1240 HydrophobicContact CD1-CD1 3.54Å |
| 1204 | R | 72.5 | Confident | 68.1 | Low | 153 Ų | 153 | 87 Ų | 87 | 58% | 0.577 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -59.9 | -43.4 | 177.2 | -165.5 | -176.7 | -57.6 | 152.5 | 1.9 | 111.7 | D1200 D1201 A1207 S1208 | D1200-R1204 WeakPolarHBondContact O-CB 3.36Å; D1200-R1204 PolarHBondContact O-N 3.28Å; D1201-R1204 PolarHBondContact O-N 3.28Å; D1201-R1204 IonicContact OD1-CZ 3.35Å; D1201-R1204 VanDerWaalsContact OD1-CZ 3.24Å; D1201-R1204 IonicContact OD1-NE 2.59Å; D1201-R1204 IonicContact OD1-NH1 3.84Å; D1201-R1204 PolarHBondContact OD1-NH1 3.04Å; D1201-R1204 IonicContact OD1-NH2 2.92Å; R1204-A1207 PolarHBondContact O-N 3.19Å; R1204-S1208 PolarHBondContact O-N 2.72Å |
| 1205 | N | 77.3 | Confident | 70.9 | Confident | 93 Ų | 93 | 82 Ų | 82 | 50% | 0.497 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.5 | -42.7 | 175.6 | -75 | -30.5 | 0 | 0 | 0 | 112.1 | D1201 I1203 A1207 S1208 I1209 | D1201-N1205 WeakPolarHBondContact O-CB 3.2Å; D1201-N1205 PolarHBondContact O-N 3.39Å; D1201-N1205 PolarHBondContact O-ND2 3.4Å; D1201-N1205 VanDerWaalsContact O-ND2 3.1Å; I1203-N1205 VanDerWaalsContact C-N 3.34Å; I1203-N1205 PolarHBondContact O-N 2.94Å; N1205-A1207 PolarHBondContact O-N 2.95Å; N1205-S1208 WeakPolarHBondContact O-CB 3.46Å; N1205-S1208 PolarHBondContact O-N 3.48Å; N1205-I1209 WeakPolarHBondContact O-CD1 3.4Å; N1205-I1209 VanDerWaalsContact O-CG1 3.27Å; N1205-I1209 WeakPolarHBondContact O-CG1 3.45Å; N1205-I1209 PolarHBondContact O-N 3.32Å |
| 1206 | R | 80.3 | Confident | 73.6 | Confident | 130 Ų | 130 | 77.8 Ų | 77.8 | 49% | 0.491 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.1 | -42.9 | 175.1 | -72.6 | 170 | -173.5 | -172.7 | 5.9 | 112.1 | T1202 I1203 I1209 I1210 | T1202-R1206 VanDerWaalsContact O-CG 3.25Å; T1202-R1206 WeakPolarHBondContact O-CG 3.37Å; T1202-R1206 PolarHBondContact O-N 3.19Å; T1202-R1206 VanDerWaalsContact O-N 3.11Å; I1203-R1206 PolarHBondContact O-N 3.25Å; R1206-I1209 PolarHBondContact O-N 3.23Å; R1206-I1210 PolarHBondContact O-N 3.04Å; R1206-I1210 VanDerWaalsContact O-N 3.15Å |
| 1207 | A | 82.6 | Confident | 75.9 | Confident | 38 Ų | 38 | 75.1 Ų | 75.1 | 31% | 0.314 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I1203 R1204 N1205 I1210 A1211 I1233 | I1203-A1207 PolarHBondContact O-N 2.93Å; R1204-A1207 PolarHBondContact O-N 3.19Å; N1205-A1207 PolarHBondContact O-N 2.95Å; A1207-I1210 PolarHBondContact O-N 3.24Å; A1207-A1211 WeakPolarHBondContact O-CB 3.32Å; A1207-A1211 PolarHBondContact O-N 3.4Å; A1207-I1233 HydrophobicContact CB-CD1 4.08Å |
| 1208 | S | 82.5 | Confident | 78.1 | Confident | 59 Ų | 59 | 80.9 Ų | 80.9 | 41% | 0.413 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -57.6 | -48 | 173.8 | 172.6 | 0 | 0 | 0 | 0 | 112.5 | R1204 N1205 I1210 A1211 N1212 | R1204-S1208 PolarHBondContact O-N 2.72Å; N1205-S1208 WeakPolarHBondContact O-CB 3.46Å; N1205-S1208 PolarHBondContact O-N 3.48Å; S1208-I1210 VanDerWaalsContact C-N 3.35Å; S1208-I1210 PolarHBondContact O-N 3.1Å; S1208-A1211 PolarHBondContact O-N 3.01Å; S1208-N1212 WeakPolarHBondContact O-CB 3.4Å; S1208-N1212 VanDerWaalsContact O-CG 3.31Å; S1208-N1212 PolarHBondContact O-N 3.4Å; S1208-N1212 PolarHBondContact O-ND2 3.1Å |
| 1209 | I | 87.3 | Confident | 80.4 | Confident | 96 Ų | 96 | 77 Ų | 77 | 49% | 0.492 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -59.7 | -44.3 | 179.5 | -68.5 | 162.1 | 0 | 0 | 0 | 111.1 | N1205 R1206 N1212 M1213 | N1205-I1209 WeakPolarHBondContact O-CD1 3.4Å; N1205-I1209 VanDerWaalsContact O-CG1 3.27Å; N1205-I1209 WeakPolarHBondContact O-CG1 3.45Å; N1205-I1209 PolarHBondContact O-N 3.32Å; R1206-I1209 PolarHBondContact O-N 3.23Å; I1209-N1212 PolarHBondContact O-N 2.92Å; I1209-M1213 HydrophobicContact CG2-CE 4.17Å; I1209-M1213 WeakPolarHBondContact O-CG 3.45Å; I1209-M1213 PolarHBondContact O-N 3.27Å |
| 1210 | I | 88 | Confident | 82.3 | Confident | 15 Ų | 15 | 76.4 Ų | 76.4 | 8% | 0.077 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -68.5 | -40.1 | 179.6 | -72.8 | 153.9 | 0 | 0 | 0 | 111.7 | R1206 A1207 S1208 N1212 M1213 L1214 L1219 L1229 I1233 | R1206-I1210 PolarHBondContact O-N 3.04Å; R1206-I1210 VanDerWaalsContact O-N 3.15Å; A1207-I1210 PolarHBondContact O-N 3.24Å; S1208-I1210 VanDerWaalsContact C-N 3.35Å; S1208-I1210 PolarHBondContact O-N 3.1Å; I1210-N1212 VanDerWaalsContact C-N 3.32Å; I1210-N1212 PolarHBondContact O-N 2.9Å; I1210-M1213 HydrophobicContact CB-CE 4.39Å; I1210-M1213 HydrophobicContact CG1-CE 3.72Å; I1210-M1213 PolarHBondContact O-N 2.9Å; I1210-L1214 HydrophobicContact CG2-CD1 4.14Å; I1210-L1214 WeakPolarHBondContact O-CG 3.49Å; I1210-L1214 PolarHBondContact O-N 3.19Å; I1210-L1219 HydrophobicContact CG2-CD2 4.45Å; I1210-L1229 HydrophobicContact CD1-CB 3.76Å; I1210-L1229 HydrophobicContact CD1-CD2 4.22Å; I1210-L1229 HydrophobicContact CD1-CG 4.4Å; I1210-L1229 HydrophobicContact CG1-CB 4.2Å; I1210-L1229 HydrophobicContact CG1-CD1 4.3Å; I1210-I1233 HydrophobicContact CD1-CD1 3.51Å; I1210-I1233 HydrophobicContact CD1-CG1 4.29Å |
| 1211 | A | 85.2 | Confident | 83.7 | Confident | 54 Ų | 54 | 82.6 Ų | 82.6 | 45% | 0.446 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -59.1 | -43 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A1207 S1208 L1214 A1215 | A1207-A1211 WeakPolarHBondContact O-CB 3.32Å; A1207-A1211 PolarHBondContact O-N 3.4Å; S1208-A1211 PolarHBondContact O-N 3.01Å; A1211-L1214 PolarHBondContact O-N 3.3Å; A1211-A1215 WeakPolarHBondContact O-CB 3.49Å; A1211-A1215 PolarHBondContact O-N 2.99Å |
| 1212 | N | 90.5 | Very high | 85 | Confident | 99 Ų | 99 | 86.4 Ų | 86.4 | 53% | 0.529 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.4 | -36.1 | 177.3 | -70.9 | -29.9 | 0 | 0 | 0 | 112.9 | S1208 I1209 I1210 S1216 | S1208-N1212 WeakPolarHBondContact O-CB 3.4Å; S1208-N1212 VanDerWaalsContact O-CG 3.31Å; S1208-N1212 PolarHBondContact O-N 3.4Å; S1208-N1212 PolarHBondContact O-ND2 3.1Å; I1209-N1212 PolarHBondContact O-N 2.92Å; I1210-N1212 VanDerWaalsContact C-N 3.32Å; I1210-N1212 PolarHBondContact O-N 2.9Å; N1212-S1216 VanDerWaalsContact O-CB 3.3Å; N1212-S1216 WeakPolarHBondContact O-CB 3.45Å; N1212-S1216 PolarHBondContact O-N 3.37Å; N1212-S1216 PolarHBondContact O-OG 2.99Å |
| 1213 | M | 95.1 | Very high | 86.1 | Confident | 57 Ų | 57 | 85.4 Ų | 85.4 | 28% | 0.281 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -67.2 | -38.5 | 174.1 | -70.6 | -170.2 | -62.8 | 0 | 0 | 112.5 | I1209 I1210 S1216 G1217 R1218 L1219 L1229 | I1209-M1213 HydrophobicContact CG2-CE 4.17Å; I1209-M1213 WeakPolarHBondContact O-CG 3.45Å; I1209-M1213 PolarHBondContact O-N 3.27Å; I1210-M1213 HydrophobicContact CB-CE 4.39Å; I1210-M1213 HydrophobicContact CG1-CE 3.72Å; I1210-M1213 PolarHBondContact O-N 2.9Å; M1213-S1216 PolarHBondContact O-OG 3.4Å; M1213-G1217 PolarHBondContact O-N 2.87Å; M1213-R1218 PolarHBondContact O-N 3.27Å; M1213-L1219 HydrophobicContact CB-CB 3.74Å; M1213-L1219 HydrophobicContact CB-CD2 4.32Å; M1213-L1219 HydrophobicContact CE-CD2 4.22Å; M1213-L1219 PolarHBondContact O-N 2.9Å; M1213-L1229 HydrophobicContact CE-CD1 4.16Å |
| 1214 | L | 92.4 | Very high | 87.1 | Confident | 51 Ų | 51 | 93.2 Ų | 93.2 | 27% | 0.267 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.9 | -46 | 174.1 | -69.3 | 167.1 | 0 | 0 | 0 | 111.3 | I1210 A1211 S1216 G1217 L1219 R1221 A1226 | I1210-L1214 HydrophobicContact CG2-CD1 4.14Å; I1210-L1214 WeakPolarHBondContact O-CG 3.49Å; I1210-L1214 PolarHBondContact O-N 3.19Å; A1211-L1214 PolarHBondContact O-N 3.3Å; L1214-S1216 PolarHBondContact O-N 3.3Å; L1214-G1217 PolarHBondContact O-N 2.79Å; L1214-L1219 HydrophobicContact CD2-CB 4.39Å; L1214-L1219 HydrophobicContact CD2-CD2 4.07Å; L1214-L1219 HydrophobicContact CD2-CG 4.09Å; L1214-L1219 HydrophobicContact CG-CD2 4.21Å; L1214-R1221 HydrophobicContact CD2-CB 4.02Å; L1214-R1221 HydrophobicContact CD2-CG 4.32Å; L1214-A1226 HydrophobicContact CD2-CB 4.33Å |
| 1215 | A | 89.5 | Confident | 87.9 | Confident | 88 Ų | 88 | 88.4 Ų | 88.4 | 73% | 0.727 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -67.1 | -33 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | A1211 G1217 | A1211-A1215 WeakPolarHBondContact O-CB 3.49Å; A1211-A1215 PolarHBondContact O-N 2.99Å; A1215-G1217 VanDerWaalsContact C-N 3.3Å |
| 1216 | S | 93.1 | Very high | 88.5 | Confident | 68 Ų | 68 | 84 Ų | 84 | 48% | 0.476 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 0.5 | 176.6 | 58.1 | 0 | 0 | 0 | 0 | 114.4 | N1212 M1213 L1214 R1218 | N1212-S1216 VanDerWaalsContact O-CB 3.3Å; N1212-S1216 WeakPolarHBondContact O-CB 3.45Å; N1212-S1216 PolarHBondContact O-N 3.37Å; N1212-S1216 PolarHBondContact O-OG 2.99Å; M1213-S1216 PolarHBondContact O-OG 3.4Å; L1214-S1216 PolarHBondContact O-N 3.3Å; S1216-R1218 PolarHBondContact O-N 2.99Å; S1216-R1218 VanDerWaalsContact O-N 3.15Å; S1216-R1218 WeakPolarHBondContact OG-CG 3.29Å |
| 1217 | G | 87.9 | Confident | 88.8 | Confident | 61 Ų | 61 | 83.2 Ų | 83.2 | 63% | 0.629 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.6 | 5.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | M1213 L1214 A1215 L1219 | M1213-G1217 PolarHBondContact O-N 2.87Å; L1214-G1217 PolarHBondContact O-N 2.79Å; A1215-G1217 VanDerWaalsContact C-N 3.3Å; G1217-L1219 PolarHBondContact O-N 3.42Å |
| 1218 | R | 89.8 | Confident | 89.1 | Confident | 216 Ų | 216 | 85 Ų | 85 | 82% | 0.815 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -70.1 | -23.7 | 176.3 | -70 | -178.3 | 176.3 | -168.1 | 0.4 | 112.7 | M1213 S1216 | M1213-R1218 PolarHBondContact O-N 3.27Å; S1216-R1218 PolarHBondContact O-N 2.99Å; S1216-R1218 VanDerWaalsContact O-N 3.15Å; S1216-R1218 WeakPolarHBondContact OG-CG 3.29Å |
| 1219 | L | 92.2 | Very high | 89.5 | Confident | 18 Ų | 18 | 84.9 Ų | 84.9 | 9% | 0.094 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -123.2 | 115.7 | 173.5 | -178.8 | 65.5 | 0 | 0 | 0 | 108.2 | I1210 M1213 L1214 G1217 R1221 A1225 A1226 L1229 | I1210-L1219 HydrophobicContact CG2-CD2 4.45Å; M1213-L1219 HydrophobicContact CB-CB 3.74Å; M1213-L1219 HydrophobicContact CB-CD2 4.32Å; M1213-L1219 HydrophobicContact CE-CD2 4.22Å; M1213-L1219 PolarHBondContact O-N 2.9Å; L1214-L1219 HydrophobicContact CD2-CB 4.39Å; L1214-L1219 HydrophobicContact CD2-CD2 4.07Å; L1214-L1219 HydrophobicContact CD2-CG 4.09Å; L1214-L1219 HydrophobicContact CG-CD2 4.21Å; G1217-L1219 PolarHBondContact O-N 3.42Å; L1219-R1221 PolarHBondContact O-N 3.05Å; L1219-A1225 HydrophobicContact CD1-CB 3.92Å; L1219-A1226 HydrophobicContact CD1-CB 4.2Å; L1219-A1226 HydrophobicContact CD2-CB 3.97Å; L1219-A1226 HydrophobicContact CG-CB 3.95Å; L1219-L1229 HydrophobicContact CD2-CD1 4.04Å |
| 1220 | D | 90.3 | Very high | 89.4 | Confident | 92 Ų | 92 | 84.1 Ų | 84.1 | 49% | 0.492 | 45% | 0.45 | S | S | . | . | | | trans | -67.2 | 128 | 171.6 | 169.1 | 24.2 | 0 | 0 | 0 | 109.5 | N1222 S1223 A1226 | D1220-N1222 PolarHBondContact O-N 3.28Å; D1220-N1222 PolarHBondContact OD1-N 3.27Å; D1220-S1223 VanDerWaalsContact O-CB 3.25Å; D1220-S1223 WeakPolarHBondContact O-CB 3.41Å; D1220-S1223 PolarHBondContact O-N 3.31Å; D1220-S1223 PolarHBondContact O-OG 3.38Å; D1220-A1226 WeakPolarHBondContact O-CB 3.47Å |
| 1221 | R | 86 | Confident | 89.2 | Confident | 207 Ų | 207 | 86.7 Ų | 86.7 | 78% | 0.781 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -25.5 | 179 | -168.3 | 173.1 | -173.8 | 161.1 | 2.1 | 112.9 | L1214 L1219 | L1214-R1221 HydrophobicContact CD2-CB 4.02Å; L1214-R1221 HydrophobicContact CD2-CG 4.32Å; L1219-R1221 PolarHBondContact O-N 3.05Å |
| 1222 | N | 88.4 | Confident | 88.9 | Confident | 147 Ų | 147 | 89.1 Ų | 89.1 | 79% | 0.786 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -0.8 | 176.9 | -61.4 | -34.5 | 0 | 0 | 0 | 113.1 | D1220 | D1220-N1222 PolarHBondContact O-N 3.28Å; D1220-N1222 PolarHBondContact OD1-N 3.27Å |
| 1223 | S | 90.3 | Very high | 88.5 | Confident | 32 Ų | 32 | 85.7 Ų | 85.7 | 22% | 0.224 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -75.8 | 146 | 179.6 | 73.9 | 0 | 0 | 0 | 0 | 112.4 | D1220 A1225 A1226 E1227 | D1220-S1223 VanDerWaalsContact O-CB 3.25Å; D1220-S1223 WeakPolarHBondContact O-CB 3.41Å; D1220-S1223 PolarHBondContact O-N 3.31Å; D1220-S1223 PolarHBondContact O-OG 3.38Å; S1223-A1225 PolarHBondContact O-N 3.45Å; S1223-A1225 VanDerWaalsContact O-N 3.15Å; S1223-A1226 WeakPolarHBondContact O-CB 3.48Å; S1223-A1226 PolarHBondContact O-N 2.81Å; S1223-A1226 PolarHBondContact OG-N 3.09Å; S1223-E1227 PolarHBondContact O-N 3.33Å |
| 1224 | R | 88.5 | Confident | 87.5 | Confident | 183 Ų | 183 | 86.1 Ų | 86.1 | 69% | 0.691 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -58.6 | -25.5 | 171.7 | -171.8 | 177 | 178 | -165.7 | -2 | 112.7 | V1228 | R1224-V1228 WeakPolarHBondContact O-CG2 3.42Å; R1224-V1228 PolarHBondContact O-N 3.34Å; R1224-V1228 VanDerWaalsContact O-N 3.12Å |
| 1225 | A | 89.3 | Confident | 86.5 | Confident | 53 Ų | 53 | 90 Ų | 90 | 44% | 0.438 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.3 | -42.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1219 S1223 L1229 | L1219-A1225 HydrophobicContact CD1-CB 3.92Å; S1223-A1225 PolarHBondContact O-N 3.45Å; S1223-A1225 VanDerWaalsContact O-N 3.15Å; A1225-L1229 WeakPolarHBondContact O-CB 3.46Å; A1225-L1229 VanDerWaalsContact O-CG 3.24Å; A1225-L1229 WeakPolarHBondContact O-CG 3.24Å; A1225-L1229 PolarHBondContact O-N 2.89Å |
| 1226 | A | 89.1 | Confident | 85.1 | Confident | 0 Ų | 0 | 88.6 Ų | 88.6 | 0% | 0 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1214 L1219 D1220 S1223 V1228 L1229 I1230 | L1214-A1226 HydrophobicContact CD2-CB 4.33Å; L1219-A1226 HydrophobicContact CD1-CB 4.2Å; L1219-A1226 HydrophobicContact CD2-CB 3.97Å; L1219-A1226 HydrophobicContact CG-CB 3.95Å; D1220-A1226 WeakPolarHBondContact O-CB 3.47Å; S1223-A1226 WeakPolarHBondContact O-CB 3.48Å; S1223-A1226 PolarHBondContact O-N 2.81Å; S1223-A1226 PolarHBondContact OG-N 3.09Å; A1226-V1228 PolarHBondContact O-N 3.35Å; A1226-L1229 PolarHBondContact O-N 2.8Å; A1226-I1230 WeakPolarHBondContact O-CB 3.43Å; A1226-I1230 WeakPolarHBondContact O-CD1 3.37Å; A1226-I1230 VanDerWaalsContact O-CG1 3.24Å; A1226-I1230 WeakPolarHBondContact O-CG1 3.34Å; A1226-I1230 PolarHBondContact O-N 2.98Å |
| 1227 | E | 87 | Confident | 83.6 | Confident | 113 Ų | 113 | 90.7 Ų | 90.7 | 53% | 0.528 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -54.6 | -51.7 | 176.3 | -173.5 | 179.7 | -156.3 | 0 | 0 | 111.6 | S1223 I1230 T1231 | S1223-E1227 PolarHBondContact O-N 3.33Å; E1227-I1230 PolarHBondContact O-N 3.44Å; E1227-T1231 PolarHBondContact O-N 2.93Å; E1227-T1231 PolarHBondContact O-OG1 3.35Å |
| 1228 | V | 89.3 | Confident | 82 | Confident | 75 Ų | 75 | 90.4 Ų | 90.4 | 46% | 0.455 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.6 | -46.8 | 178.7 | 171 | 0 | 0 | 0 | 0 | 112 | R1224 A1226 I1230 T1231 M1232 | R1224-V1228 WeakPolarHBondContact O-CG2 3.42Å; R1224-V1228 PolarHBondContact O-N 3.34Å; R1224-V1228 VanDerWaalsContact O-N 3.12Å; A1226-V1228 PolarHBondContact O-N 3.35Å; V1228-I1230 PolarHBondContact O-N 3.48Å; V1228-T1231 PolarHBondContact O-N 3.11Å; V1228-M1232 HydrophobicContact CG1-SD 4.14Å; V1228-M1232 WeakPolarHBondContact O-CG 3.33Å; V1228-M1232 PolarHBondContact O-N 3.04Å |
| 1229 | L | 89.9 | Confident | 80.2 | Confident | 57 Ų | 57 | 83.6 Ų | 83.6 | 30% | 0.298 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.8 | -39.4 | -178.5 | -74 | 171.4 | 0 | 0 | 0 | 112.5 | I1210 M1213 L1219 A1225 A1226 I1233 | I1210-L1229 HydrophobicContact CD1-CB 3.76Å; I1210-L1229 HydrophobicContact CD1-CD2 4.22Å; I1210-L1229 HydrophobicContact CD1-CG 4.4Å; I1210-L1229 HydrophobicContact CG1-CB 4.2Å; I1210-L1229 HydrophobicContact CG1-CD1 4.3Å; M1213-L1229 HydrophobicContact CE-CD1 4.16Å; L1219-L1229 HydrophobicContact CD2-CD1 4.04Å; A1225-L1229 WeakPolarHBondContact O-CB 3.46Å; A1225-L1229 VanDerWaalsContact O-CG 3.24Å; A1225-L1229 WeakPolarHBondContact O-CG 3.24Å; A1225-L1229 PolarHBondContact O-N 2.89Å; A1226-L1229 PolarHBondContact O-N 2.8Å; L1229-I1233 PolarHBondContact O-N 2.77Å |
| 1230 | I | 85.7 | Confident | 78.4 | Confident | 80 Ų | 80 | 85.1 Ų | 85.1 | 41% | 0.41 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -66.2 | -47.3 | 174.6 | -68.1 | 165.2 | 0 | 0 | 0 | 110.2 | A1226 E1227 V1228 M1232 I1233 S1234 | A1226-I1230 WeakPolarHBondContact O-CB 3.43Å; A1226-I1230 WeakPolarHBondContact O-CD1 3.37Å; A1226-I1230 VanDerWaalsContact O-CG1 3.24Å; A1226-I1230 WeakPolarHBondContact O-CG1 3.34Å; A1226-I1230 PolarHBondContact O-N 2.98Å; E1227-I1230 PolarHBondContact O-N 3.44Å; V1228-I1230 PolarHBondContact O-N 3.48Å; I1230-M1232 VanDerWaalsContact C-N 3.27Å; I1230-M1232 PolarHBondContact O-N 2.83Å; I1230-I1233 PolarHBondContact O-N 3.43Å; I1230-I1233 VanDerWaalsContact O-N 3.14Å; I1230-S1234 PolarHBondContact O-N 2.88Å; I1230-S1234 PolarHBondContact O-OG 3.25Å |
| 1231 | T | 82.8 | Confident | 76.6 | Confident | 69 Ų | 69 | 86.3 Ų | 86.3 | 42% | 0.423 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -58.9 | -37.3 | 178 | -59.4 | 0 | 0 | 0 | 0 | 112.5 | E1227 V1228 S1234 K1235 | E1227-T1231 PolarHBondContact O-N 2.93Å; E1227-T1231 PolarHBondContact O-OG1 3.35Å; V1228-T1231 PolarHBondContact O-N 3.11Å; T1231-S1234 PolarHBondContact O-N 2.99Å; T1231-K1235 PolarHBondContact O-N 3.16Å |
| 1232 | M | 80.4 | Confident | 74.8 | Confident | 105 Ų | 105 | 82.4 Ų | 82.4 | 52% | 0.517 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 176.1 | -73.9 | 178.2 | 68.9 | 0 | 0 | 112.7 | V1228 I1230 N1236 | V1228-M1232 HydrophobicContact CG1-SD 4.14Å; V1228-M1232 WeakPolarHBondContact O-CG 3.33Å; V1228-M1232 PolarHBondContact O-N 3.04Å; I1230-M1232 VanDerWaalsContact C-N 3.27Å; I1230-M1232 PolarHBondContact O-N 2.83Å; M1232-N1236 PolarHBondContact O-N 2.89Å; M1232-N1236 PolarHBondContact O-ND2 2.83Å; M1232-N1236 PolarHBondContact O-OD1 2.89Å |
| 1233 | I | 81.2 | Confident | 72.9 | Confident | 28 Ų | 28 | 80.8 Ų | 80.8 | 14% | 0.144 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -64 | -47.9 | 174.2 | -66.8 | 165.3 | 0 | 0 | 0 | 110.5 | A1207 I1210 L1229 I1230 K1235 N1236 Q1237 | A1207-I1233 HydrophobicContact CB-CD1 4.08Å; I1210-I1233 HydrophobicContact CD1-CD1 3.51Å; I1210-I1233 HydrophobicContact CD1-CG1 4.29Å; L1229-I1233 PolarHBondContact O-N 2.77Å; I1230-I1233 PolarHBondContact O-N 3.43Å; I1230-I1233 VanDerWaalsContact O-N 3.14Å; I1233-K1235 VanDerWaalsContact C-N 3.31Å; I1233-K1235 PolarHBondContact O-N 2.94Å; I1233-N1236 PolarHBondContact O-N 3.45Å; I1233-Q1237 PolarHBondContact O-N 2.79Å |
| 1234 | S | 74.3 | Confident | 71 | Confident | 65 Ų | 65 | 85 Ų | 85 | 46% | 0.455 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.1 | -36.8 | -177.4 | -56.8 | 0 | 0 | 0 | 0 | 112.9 | I1230 T1231 S1238 | I1230-S1234 PolarHBondContact O-N 2.88Å; I1230-S1234 PolarHBondContact O-OG 3.25Å; T1231-S1234 PolarHBondContact O-N 2.99Å; S1234-S1238 PolarHBondContact O-N 3.14Å |
| 1235 | K | 70.7 | Confident | 69 | Low | 133 Ų | 133 | 84.4 Ų | 84.4 | 58% | 0.578 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -63.7 | -50.6 | 173.6 | -77.9 | -170.7 | 173.2 | -168.8 | 0 | 111.6 | T1231 I1233 Q1237 S1238 D1239 | T1231-K1235 PolarHBondContact O-N 3.16Å; I1233-K1235 VanDerWaalsContact C-N 3.31Å; I1233-K1235 PolarHBondContact O-N 2.94Å; K1235-Q1237 VanDerWaalsContact C-N 3.28Å; K1235-Q1237 PolarHBondContact O-N 2.76Å; K1235-S1238 WeakPolarHBondContact O-CA 3.4Å; K1235-S1238 WeakPolarHBondContact O-CB 2.83Å; K1235-S1238 PolarHBondContact O-N 2.97Å; K1235-S1238 PolarHBondContact O-OG 2.87Å; K1235-D1239 PolarHBondContact O-N 3.08Å |
| 1236 | N | 61.1 | Low | 67.1 | Low | 59 Ų | 59 | 86.2 Ų | 86.2 | 32% | 0.316 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.5 | -36.4 | -178.7 | -63.7 | -5.2 | 0 | 0 | 0 | 112.4 | I1203 M1232 I1233 S1238 L1240 | I1203-N1236 HydrophobicContact CD1-CB 4.09Å; I1203-N1236 HydrophobicContact CG1-CB 4.47Å; M1232-N1236 PolarHBondContact O-N 2.89Å; M1232-N1236 PolarHBondContact O-ND2 2.83Å; M1232-N1236 PolarHBondContact O-OD1 2.89Å; I1233-N1236 PolarHBondContact O-N 3.45Å; N1236-S1238 VanDerWaalsContact C-N 3.32Å; N1236-S1238 PolarHBondContact O-N 3.09Å; N1236-L1240 PolarHBondContact O-N 3.38Å |
| 1237 | Q | 61.7 | Low | 65.1 | Low | 111 Ų | 111 | 90.6 Ų | 90.6 | 52% | 0.519 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.5 | -33.5 | 172 | -78.4 | -175.9 | -37.9 | 0 | 0 | 113.3 | I1203 I1233 K1235 N1241 | I1203-Q1237 HydrophobicContact CG2-CG 4.44Å; I1233-Q1237 PolarHBondContact O-N 2.79Å; K1235-Q1237 VanDerWaalsContact C-N 3.28Å; K1235-Q1237 PolarHBondContact O-N 2.76Å; Q1237-N1241 PolarHBondContact O-N 3.24Å |
| 1238 | S | 54 | Low | 63.5 | Low | 55 Ų | 55 | 90.1 Ų | 90.1 | 39% | 0.385 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -72 | -33.1 | -179.6 | 74.4 | 0 | 0 | 0 | 0 | 113.2 | S1234 K1235 N1236 K1242 | S1234-S1238 PolarHBondContact O-N 3.14Å; K1235-S1238 WeakPolarHBondContact O-CA 3.4Å; K1235-S1238 WeakPolarHBondContact O-CB 2.83Å; K1235-S1238 PolarHBondContact O-N 2.97Å; K1235-S1238 PolarHBondContact O-OG 2.87Å; N1236-S1238 VanDerWaalsContact C-N 3.32Å; N1236-S1238 PolarHBondContact O-N 3.09Å; S1238-K1242 PolarHBondContact O-N 3.37Å |
| 1239 | D | 52.2 | Low | 61.7 | Low | 74 Ų | 74 | 90.5 Ų | 90.5 | 40% | 0.396 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -77.6 | -34.3 | 176.8 | -64.6 | -44.1 | 0 | 0 | 0 | 111.7 | K1235 N1241 K1242 N1243 | K1235-D1239 PolarHBondContact O-N 3.08Å; D1239-N1241 VanDerWaalsContact C-N 3.34Å; D1239-N1241 PolarHBondContact O-N 3.49Å; D1239-K1242 WeakPolarHBondContact O-CB 3.36Å; D1239-K1242 PolarHBondContact O-N 3.45Å; D1239-K1242 VanDerWaalsContact O-N 3.11Å; D1239-K1242 IonicContact OD1-NZ 2.74Å; D1239-K1242 PolarHBondContact OD1-NZ 2.95Å; D1239-K1242 VanDerWaalsContact OD1-NZ 3.11Å; D1239-N1243 PolarHBondContact O-N 3.5Å |
| 1240 | L | 53.5 | Low | 59.8 | Low | 49 Ų | 49 | 93.8 Ų | 93.8 | 26% | 0.257 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.2 | -37.5 | 174.9 | -143.9 | 144.4 | 0 | 0 | 0 | 112.3 | D1200 I1203 N1236 K1242 N1243 K1244 | D1200-L1240 WeakPolarHBondContact OD1-CD1 3.44Å; I1203-L1240 HydrophobicContact CD1-CD1 3.54Å; N1236-L1240 PolarHBondContact O-N 3.38Å; L1240-K1242 VanDerWaalsContact C-N 3.32Å; L1240-K1242 PolarHBondContact O-N 3.21Å; L1240-N1243 PolarHBondContact O-N 3.42Å; L1240-K1244 PolarHBondContact O-N 3.03Å |
| 1241 | N | 53.3 | Low | 58.1 | Low | 117 Ų | 117 | 95.8 Ų | 95.8 | 63% | 0.626 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -66.3 | -27.2 | 173.1 | -83.8 | -22.5 | 0 | 0 | 0 | 113.8 | Q1237 D1239 Y1245 | Q1237-N1241 PolarHBondContact O-N 3.24Å; D1239-N1241 VanDerWaalsContact C-N 3.34Å; D1239-N1241 PolarHBondContact O-N 3.49Å; N1241-Y1245 PolarHBondContact O-N 3.33Å |
| 1242 | K | 48.8 | Very low | 56.6 | Low | 126 Ų | 126 | 95.3 Ų | 95.3 | 55% | 0.548 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -71.3 | -46.7 | 173.5 | -71.9 | 173.1 | -173.4 | 155.5 | 0 | 111.1 | S1238 D1239 L1240 K1244 Y1245 I1246 | S1238-K1242 PolarHBondContact O-N 3.37Å; D1239-K1242 WeakPolarHBondContact O-CB 3.36Å; D1239-K1242 PolarHBondContact O-N 3.45Å; D1239-K1242 VanDerWaalsContact O-N 3.11Å; D1239-K1242 IonicContact OD1-NZ 2.74Å; D1239-K1242 PolarHBondContact OD1-NZ 2.95Å; D1239-K1242 VanDerWaalsContact OD1-NZ 3.11Å; L1240-K1242 VanDerWaalsContact C-N 3.32Å; L1240-K1242 PolarHBondContact O-N 3.21Å; K1242-K1244 VanDerWaalsContact C-N 3.29Å; K1242-K1244 PolarHBondContact O-N 3.24Å; K1242-Y1245 WeakPolarHBondContact O-CB 3.4Å; K1242-Y1245 PolarHBondContact O-N 3.4Å; K1242-I1246 PolarHBondContact O-N 3.38Å |
| 1243 | N | 46.8 | Very low | 54.9 | Low | 112 Ų | 112 | 95.4 Ų | 95.4 | 60% | 0.599 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -60.4 | -41.3 | -179 | -68.2 | -0.2 | 0 | 0 | 0 | 111.2 | D1239 L1240 Y1245 I1246 E1247 | D1239-N1243 PolarHBondContact O-N 3.5Å; L1240-N1243 PolarHBondContact O-N 3.42Å; N1243-Y1245 PolarHBondContact O-N 3.16Å; N1243-I1246 PolarHBondContact O-N 3.36Å; N1243-I1246 VanDerWaalsContact O-N 3.08Å; N1243-E1247 PolarHBondContact O-N 2.92Å; N1243-E1247 VanDerWaalsContact O-N 3.11Å |
| 1244 | K | 51.2 | Low | 53.2 | Low | 121 Ų | 121 | 102.2 Ų | 102.2 | 53% | 0.526 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.3 | -23.4 | 175.9 | -151.5 | 166.5 | -164.7 | 163.6 | 0 | 114 | L1240 K1242 N1248 | L1240-K1244 PolarHBondContact O-N 3.03Å; K1242-K1244 VanDerWaalsContact C-N 3.29Å; K1242-K1244 PolarHBondContact O-N 3.24Å; K1244-N1248 PolarHBondContact O-ND2 3.21Å |
| 1245 | Y | 45.7 | Very low | 51.8 | Low | 171 Ų | 171 | 104.4 Ų | 104.4 | 67% | 0.671 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -78.3 | -29.9 | 173.7 | -152 | -81.5 | 0 | 0 | 0 | 112.1 | N1241 K1242 N1243 I1249 | N1241-Y1245 PolarHBondContact O-N 3.33Å; K1242-Y1245 WeakPolarHBondContact O-CB 3.4Å; K1242-Y1245 PolarHBondContact O-N 3.4Å; N1243-Y1245 PolarHBondContact O-N 3.16Å; Y1245-I1249 HydrophobicContact CD1-CD1 4.13Å; Y1245-I1249 HydrophobicContact CE1-CD1 4.36Å; Y1245-I1249 WeakPolarHBondContact O-CG1 3.27Å |
| 1246 | I | 51 | Low | 50.3 | Low | 90 Ų | 90 | 104.4 Ų | 104.4 | 46% | 0.462 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -73 | -42.7 | 176.3 | -62.9 | 167.6 | 0 | 0 | 0 | 110.3 | K1242 N1243 N1248 I1249 H1250 | K1242-I1246 PolarHBondContact O-N 3.38Å; N1243-I1246 PolarHBondContact O-N 3.36Å; N1243-I1246 VanDerWaalsContact O-N 3.08Å; I1246-N1248 VanDerWaalsContact C-N 3.28Å; I1246-N1248 PolarHBondContact O-N 2.84Å; I1246-I1249 WeakPolarHBondContact O-CB 3.46Å; I1246-I1249 PolarHBondContact O-N 3.11Å; I1246-H1250 PolarHBondContact O-CD2 2.93Å; I1246-H1250 PolarHBondContact O-N 3.45Å |
| 1247 | E | 47.1 | Very low | 49.6 | Very low | 92 Ų | 92 | 106.9 Ų | 106.9 | 43% | 0.43 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -58.4 | -39.4 | 176.8 | -161.4 | -163.2 | 151.2 | 0 | 0 | 112.4 | N1243 I1249 H1250 K1251 | N1243-E1247 PolarHBondContact O-N 2.92Å; N1243-E1247 VanDerWaalsContact O-N 3.11Å; E1247-I1249 VanDerWaalsContact C-N 3.26Å; E1247-I1249 PolarHBondContact O-N 3.26Å; E1247-H1250 PolarHBondContact O-N 3.13Å; E1247-K1251 PolarHBondContact O-N 3.26Å; E1247-K1251 VanDerWaalsContact O-N 3.15Å; E1247-K1251 IonicContact OE1-NZ 2.86Å; E1247-K1251 PolarHBondContact OE1-NZ 3.26Å |
| 1248 | N | 52.1 | Low | 48.4 | Very low | 104 Ų | 104 | 113.1 Ų | 113.1 | 56% | 0.556 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -69.8 | -17.8 | 176.2 | -75.5 | -14.3 | 0 | 0 | 0 | 114.2 | K1244 I1246 | K1244-N1248 PolarHBondContact O-ND2 3.21Å; I1246-N1248 VanDerWaalsContact C-N 3.28Å; I1246-N1248 PolarHBondContact O-N 2.84Å |
| 1249 | I | 51.6 | Low | 48.1 | Very low | 83 Ų | 83 | 116 Ų | 116 | 43% | 0.426 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -80.7 | -46.3 | 173.4 | -67.3 | 166.7 | 0 | 0 | 0 | 109.1 | Y1245 I1246 E1247 K1251 A1252 D1253 | Y1245-I1249 HydrophobicContact CD1-CD1 4.13Å; Y1245-I1249 HydrophobicContact CE1-CD1 4.36Å; Y1245-I1249 WeakPolarHBondContact O-CG1 3.27Å; I1246-I1249 WeakPolarHBondContact O-CB 3.46Å; I1246-I1249 PolarHBondContact O-N 3.11Å; E1247-I1249 VanDerWaalsContact C-N 3.26Å; E1247-I1249 PolarHBondContact O-N 3.26Å; I1249-K1251 VanDerWaalsContact C-N 3.31Å; I1249-K1251 PolarHBondContact O-N 2.94Å; I1249-A1252 WeakPolarHBondContact O-CB 3.43Å; I1249-A1252 PolarHBondContact O-N 3.08Å; I1249-D1253 PolarHBondContact O-N 3.5Å; I1249-D1253 VanDerWaalsContact O-N 3.15Å |
| 1250 | H | 51 | Low | 47.9 | Very low | 125 Ų | 125 | 118.2 Ų | 118.2 | 58% | 0.579 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -59.7 | -39.2 | 177.4 | -71.1 | -63.9 | 0 | 0 | 0 | 112.9 | I1246 E1247 A1252 D1253 E1254 | I1246-H1250 PolarHBondContact O-CD2 2.93Å; I1246-H1250 PolarHBondContact O-N 3.45Å; E1247-H1250 PolarHBondContact O-N 3.13Å; H1250-A1252 PolarHBondContact O-N 3.49Å; H1250-D1253 PolarHBondContact O-N 2.64Å; H1250-E1254 PolarHBondContact O-N 3.49Å |
| 1251 | K | 50.5 | Low | 47.6 | Very low | 123 Ų | 123 | 122.1 Ų | 122.1 | 54% | 0.535 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -71.6 | -10.3 | 173.4 | -76.6 | 175.7 | 175 | 160.3 | 0 | 115 | E1247 I1249 | E1247-K1251 PolarHBondContact O-N 3.26Å; E1247-K1251 VanDerWaalsContact O-N 3.15Å; E1247-K1251 IonicContact OE1-NZ 2.86Å; E1247-K1251 PolarHBondContact OE1-NZ 3.26Å; I1249-K1251 VanDerWaalsContact C-N 3.31Å; I1249-K1251 PolarHBondContact O-N 2.94Å |
| 1252 | A | 51 | Low | 47.3 | Very low | 58 Ų | 58 | 122.4 Ų | 122.4 | 48% | 0.479 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -92.1 | -33 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I1249 H1250 E1254 V1255 | I1249-A1252 WeakPolarHBondContact O-CB 3.43Å; I1249-A1252 PolarHBondContact O-N 3.08Å; H1250-A1252 PolarHBondContact O-N 3.49Å; A1252-E1254 VanDerWaalsContact C-N 3.27Å; A1252-E1254 PolarHBondContact O-N 2.91Å; A1252-V1255 PolarHBondContact O-N 3.05Å |
| 1253 | D | 45.2 | Very low | 47.2 | Very low | 108 Ų | 108 | 122.1 Ų | 122.1 | 58% | 0.578 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -72.6 | -20.6 | 177.6 | -65.9 | -26 | 0 | 0 | 0 | 112.5 | I1249 H1250 V1255 | I1249-D1253 PolarHBondContact O-N 3.5Å; I1249-D1253 VanDerWaalsContact O-N 3.15Å; H1250-D1253 PolarHBondContact O-N 2.64Å; D1253-V1255 VanDerWaalsContact C-N 3.29Å |
| 1254 | E | 44.2 | Very low | 47.2 | Very low | 170 Ų | 170 | 122.8 Ų | 122.8 | 79% | 0.794 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -1.8 | 171.3 | -110.5 | 172.6 | -171.4 | 0 | 0 | 114.3 | H1250 A1252 | H1250-E1254 PolarHBondContact O-N 3.49Å; A1252-E1254 VanDerWaalsContact C-N 3.27Å; A1252-E1254 PolarHBondContact O-N 2.91Å |
| 1255 | V | 44.6 | Very low | 46.9 | Very low | 111 Ų | 111 | 122.9 Ų | 122.9 | 67% | 0.673 | 63% | 0.634 | S | S | * | * | | | trans | -119 | 54.8 | 177.7 | -164.1 | 0 | 0 | 0 | 0 | 110.6 | A1252 D1253 | A1252-V1255 PolarHBondContact O-N 3.05Å; D1253-V1255 VanDerWaalsContact C-N 3.29Å |
| 1256 | I | 40.2 | Very low | 47 | Very low | 133 Ų | 133 | 119.2 Ų | 119.2 | 68% | 0.682 | 63% | 0.631 | S | S | * | * | | | trans | -108.6 | 108.2 | 158.7 | -57.7 | -180 | 0 | 0 | 0 | 105.7 | | |
| 1257 | P | 45.9 | Very low | 46.6 | Very low | 112 Ų | 112 | 121.7 Ų | 121.7 | 73% | 0.727 | 65% | 0.646 | S | S | * | * | | | trans | -68.2 | 142.5 | 175.6 | -12.2 | 26.9 | 0 | 0 | 0 | 110.5 | | |
| 1258 | D | 36.5 | Very low | 46.6 | Very low | 241 Ų | 241 | 124.4 Ų | 124.4 | 100% | 1.289 | 67% | 0.665 | S | S | * | * | | | trans | -63.5 | 0 | 163.7 | -71.4 | -49.1 | 0 | 0 | 0 | 112.2 | | |