| 1 | M | 51.8 | Low | 50.4 | Low | 241 Ų | 241 | 151.7 Ų | 151.7 | 100% | 1.187 | 78% | 0.776 | S | S | * | * | | | | 0 | 121.5 | 0 | -60.7 | -54.9 | -162.1 | 0 | 0 | 107.5 | | |
| 2 | A | 50.5 | Low | 50.2 | Low | 83 Ų | 83 | 150.1 Ų | 150.1 | 69% | 0.686 | 76% | 0.762 | S | S | * | * | | | cis | -179.9 | 102.3 | -32.1 | 0 | 0 | 0 | 0 | 0 | 104.8 | P4 | A2-P4 WeakPolarHBondContact O-CD 3.27Š|
| 3 | D | 50.8 | Low | 50.1 | Low | 173 Ų | 173 | 149 Ų | 149 | 93% | 0.925 | 76% | 0.76 | S | S | * | * | | | trans | -81.7 | 134.2 | 167.8 | -71.6 | -56.3 | 0 | 0 | 0 | 109.7 | | |
| 4 | P | 58.5 | Low | 49.9 | Very low | 97 Ų | 97 | 149.2 Ų | 149.2 | 63% | 0.63 | 76% | 0.756 | S | S | * | * | | | trans | -135.2 | 141.1 | 154.6 | 36.8 | -22.2 | 0 | 0 | 0 | 112.4 | A2 | A2-P4 WeakPolarHBondContact O-CD 3.27Š|
| 5 | R | 49 | Very low | 49.8 | Very low | 216 Ų | 216 | 146.4 Ų | 146.4 | 82% | 0.815 | 76% | 0.764 | S | S | * | * | | | trans | 75.5 | 153 | 141 | -69.7 | 172.5 | 179.9 | -110.3 | 8.1 | 118.2 | | |
| 6 | Q | 51.3 | Low | 49.7 | Very low | 104 Ų | 104 | 141.8 Ų | 141.8 | 49% | 0.486 | 76% | 0.763 | S | S | . | * | | | cis | -165.7 | 162.5 | -16.5 | 175.6 | 155.7 | 10.1 | 0 | 0 | 109.9 | F8 | Q6-F8 HydrophobicContact CB-CE1 4.17Å; Q6-F8 HydrophobicContact CB-CZ 4.47Å; Q6-F8 HydrophobicContact CG-CE1 4.25Å |
| 7 | E | 42.7 | Very low | 49.1 | Very low | 160 Ų | 160 | 142.9 Ų | 142.9 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | | | trans | -73.2 | 127.2 | 176.2 | -45.8 | 100.1 | 138.3 | 0 | 0 | 113.2 | | |
| 8 | F | 48.1 | Very low | 48.4 | Very low | 158 Ų | 158 | 147.8 Ų | 147.8 | 69% | 0.693 | 78% | 0.776 | S | S | * | * | | | trans | -159.7 | 125.3 | 153.8 | 14.5 | -100.9 | 0 | 0 | 0 | 105.5 | Q6 | Q6-F8 HydrophobicContact CB-CE1 4.17Å; Q6-F8 HydrophobicContact CB-CZ 4.47Å; Q6-F8 HydrophobicContact CG-CE1 4.25Å |
| 9 | D | 45.6 | Very low | 48.2 | Very low | 161 Ų | 161 | 146.1 Ų | 146.1 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | | | cis | 62 | 61.5 | 37.7 | -78.4 | -36.6 | 0 | 0 | 0 | 114.6 | | |
| 10 | T | 51.2 | Low | 48.1 | Very low | 116 Ų | 116 | 144.4 Ų | 144.4 | 71% | 0.712 | 76% | 0.763 | S | S | * | * | | | trans | -155.1 | 118.1 | 146.7 | 26.6 | 0 | 0 | 0 | 0 | 105.1 | | |
| 11 | M | 54.8 | Low | 47.7 | Very low | 160 Ų | 160 | 144.6 Ų | 144.6 | 79% | 0.788 | 76% | 0.764 | S | S | * | * | | | | 80.8 | 170.6 | 75.1 | -162.3 | 163.5 | 166.2 | 0 | 0 | 111.1 | | |
| 12 | E | 48.6 | Very low | 47.2 | Very low | 132 Ų | 132 | 139.8 Ų | 139.8 | 62% | 0.617 | 74% | 0.739 | S | S | * | * | | | trans | 63 | 89.7 | -170.5 | -72.6 | 58.9 | -120.5 | 0 | 0 | 113 | | |
| 13 | D | 47.8 | Very low | 46.7 | Very low | 136 Ų | 136 | 142.1 Ų | 142.1 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | | | | 75.9 | 160.3 | 66.2 | -164.1 | 14.7 | 0 | 0 | 0 | 113 | | |
| 14 | H | 47.9 | Very low | 46.4 | Very low | 152 Ų | 152 | 142.4 Ų | 142.4 | 70% | 0.704 | 74% | 0.735 | S | S | * | * | | | trans | 90.5 | 88.1 | 170.1 | -49.8 | -22.6 | 0 | 0 | 0 | 117.7 | | |
| 15 | A | 48.4 | Very low | 45.5 | Very low | 107 Ų | 107 | 145.9 Ų | 145.9 | 88% | 0.884 | 74% | 0.743 | S | S | * | * | | | trans | 72.8 | 128.3 | 137.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 16 | G | 47.6 | Very low | 45.2 | Very low | 72 Ų | 72 | 139.9 Ų | 139.9 | 74% | 0.742 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -177.4 | -53.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 17 | D | 39.9 | Very low | 44.6 | Very low | 161 Ų | 161 | 140.7 Ų | 140.7 | 86% | 0.861 | 76% | 0.756 | S | S | * | * | | | trans | -134.5 | 70.9 | 179.6 | -87.7 | -48.7 | 0 | 0 | 0 | 111 | | |
| 18 | Y | 35.9 | Very low | 45 | Very low | 231 Ų | 231 | 139.8 Ų | 139.8 | 91% | 0.906 | 75% | 0.754 | S | S | * | * | | | trans | -114.7 | 71.4 | 164.5 | -109.9 | -72.7 | 0 | 0 | 0 | 109.2 | | |
| 19 | T | 46 | Very low | 44.7 | Very low | 115 Ų | 115 | 138.9 Ų | 138.9 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | | | trans | -143.4 | 108.6 | 150.1 | 35.9 | 0 | 0 | 0 | 0 | 107.4 | | |
| 20 | L | 45.7 | Very low | 44.5 | Very low | 113 Ų | 113 | 139 Ų | 139 | 59% | 0.592 | 75% | 0.751 | S | S | * | * | | | | 80.9 | 98.7 | 91.4 | -156.6 | 68 | 0 | 0 | 0 | 108 | Q22 | L20-Q22 VanDerWaalsContact C-N 3.33Å; L20-Q22 HydrophobicContact CD1-CG 4.39Å; L20-Q22 HydrophobicContact CD2-CG 4.28Å; L20-Q22 HydrophobicContact CG-CB 4.13Å; L20-Q22 HydrophobicContact CG-CG 3.99Å |
| 21 | L | 39.9 | Very low | 43.9 | Very low | 149 Ų | 149 | 136.7 Ų | 136.7 | 78% | 0.78 | 75% | 0.75 | S | S | * | * | | | cis | 51.6 | 52 | 45.4 | -136.6 | -177 | 0 | 0 | 0 | 110.8 | | |
| 22 | Q | 42 | Very low | 43.1 | Very low | 140 Ų | 140 | 137.7 Ų | 137.7 | 65% | 0.654 | 76% | 0.758 | S | S | * | * | | | trans | -140.1 | 85 | 163.3 | -105.6 | 164.8 | 11.9 | 0 | 0 | 108.4 | L20 Q24 | L20-Q22 VanDerWaalsContact C-N 3.33Å; L20-Q22 HydrophobicContact CD1-CG 4.39Å; L20-Q22 HydrophobicContact CD2-CG 4.28Å; L20-Q22 HydrophobicContact CG-CB 4.13Å; L20-Q22 HydrophobicContact CG-CG 3.99Å; Q22-Q24 PolarHBondContact O-N 2.88Å |
| 23 | D | 39.1 | Very low | 42.7 | Very low | 131 Ų | 131 | 140.2 Ų | 140.2 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | | | | 37.4 | 86 | 110.2 | -44.2 | -26.8 | 0 | 0 | 0 | 114.9 | | |
| 24 | Q | 43.5 | Very low | 42.1 | Very low | 179 Ų | 179 | 141.4 Ų | 141.4 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | | | trans | -98.4 | 90.2 | 146.1 | -79.4 | -171.3 | -8.3 | 0 | 0 | 108.7 | Q22 G26 | Q22-Q24 PolarHBondContact O-N 2.88Å; Q24-G26 PolarHBondContact O-N 3.23Å |
| 25 | E | 41.5 | Very low | 41.8 | Very low | 171 Ų | 171 | 139.8 Ų | 139.8 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | | | trans | 58.9 | 49.5 | 137.5 | -67.9 | 149.7 | -148 | 0 | 0 | 115.6 | D27 | E25-D27 PolarHBondContact O-N 2.77Š|
| 26 | G | 40.9 | Very low | 42 | Very low | 90 Ų | 90 | 140.5 Ų | 140.5 | 93% | 0.928 | 77% | 0.769 | S | S | * | * | | | trans | -71.3 | 53.1 | 150 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q24 | Q24-G26 PolarHBondContact O-N 3.23Š|
| 27 | D | 40.4 | Very low | 41.7 | Very low | 121 Ų | 121 | 142.7 Ų | 142.7 | 65% | 0.647 | 77% | 0.77 | S | S | * | * | | | trans | -98.8 | 106.7 | 160.1 | -168.5 | 47.7 | 0 | 0 | 0 | 108.3 | E25 | E25-D27 PolarHBondContact O-N 2.77Š|
| 28 | M | 49.8 | Very low | 41.8 | Very low | 140 Ų | 140 | 143.4 Ų | 143.4 | 69% | 0.69 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 46.9 | 122.7 | 162.5 | -51.3 | -177.6 | -162.2 | 0 | 0 | 117.8 | | |
| 29 | D | 42.5 | Very low | 42.2 | Very low | 139 Ų | 139 | 137.8 Ų | 137.8 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | | | cis | -133.2 | 139.5 | 22.7 | -86.6 | -63.3 | 0 | 0 | 0 | 110.2 | | |
| 30 | H | 41.7 | Very low | 42.4 | Very low | 165 Ų | 165 | 137.5 Ų | 137.5 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | | | | 51.8 | 141.2 | 76.6 | -60.5 | -66.8 | 0 | 0 | 0 | 114.9 | | |
| 31 | G | 38.5 | Very low | 42.6 | Very low | 66 Ų | 66 | 136.1 Ų | 136.1 | 68% | 0.68 | 77% | 0.765 | S | S | * | * | | | trans | 101.1 | 47.8 | 156 | 0 | 0 | 0 | 0 | 0 | 118.7 | K33 | G31-K33 PolarHBondContact O-N 2.79Š|
| 32 | L | 37.6 | Very low | 43.1 | Very low | 181 Ų | 181 | 136.2 Ų | 136.2 | 95% | 0.948 | 77% | 0.766 | S | S | * | * | | | trans | 23.7 | 97.1 | 137 | -63.1 | 173.1 | 0 | 0 | 0 | 117.6 | | |
| 33 | K | 40.7 | Very low | 43.4 | Very low | 185 Ų | 185 | 136.9 Ų | 136.9 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | trans | -129.9 | 140.6 | 156.9 | -82.4 | -165.3 | 178 | -165.1 | 0 | 108.4 | G31 | G31-K33 PolarHBondContact O-N 2.79Š|
| 34 | E | 33.9 | Very low | 43.8 | Very low | 162 Ų | 162 | 133.7 Ų | 133.7 | 76% | 0.757 | 77% | 0.772 | S | S | * | * | | | cis | -162.9 | 116 | 1.3 | 173.7 | 176.9 | 120 | 0 | 0 | 108.7 | | |
| 35 | S | 42.2 | Very low | 44.1 | Very low | 118 Ų | 118 | 128.8 Ų | 128.8 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | | | trans | -169.7 | 156.4 | 170.9 | -90.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 36 | P | 52.9 | Low | 44.5 | Very low | 122 Ų | 122 | 125.6 Ų | 125.6 | 79% | 0.792 | 75% | 0.748 | S | S | * | * | | | trans | -89.9 | 169.1 | -136.8 | -14.3 | 32.7 | 0 | 0 | 0 | 117.7 | | |
| 37 | P | 40.6 | Very low | 44.8 | Very low | 117 Ų | 117 | 127.7 Ų | 127.7 | 76% | 0.76 | 73% | 0.733 | S | S | * | * | | | trans | -93.6 | 168.4 | -164.2 | 38.4 | -38.5 | 0 | 0 | 0 | 116.5 | | |
| 38 | Q | 43.3 | Very low | 45.4 | Very low | 176 Ų | 176 | 125.6 Ų | 125.6 | 82% | 0.822 | 73% | 0.726 | S | S | * | * | | | trans | 17.8 | 157.2 | 142.4 | -91.8 | -171.1 | -10.9 | 0 | 0 | 121.9 | | |
| 39 | P | 44.3 | Very low | 45.4 | Very low | 114 Ų | 114 | 121.6 Ų | 121.6 | 74% | 0.74 | 72% | 0.721 | S | S | * | * | | | | -150.2 | -153.4 | 52.4 | 39.3 | -13 | 0 | 0 | 0 | 115 | | |
| 40 | P | 48.9 | Very low | 45.9 | Very low | 109 Ų | 109 | 120.8 Ų | 120.8 | 71% | 0.708 | 73% | 0.726 | S | S | * | * | | | | -138.5 | -173.2 | -78.1 | 45 | -28.3 | 0 | 0 | 0 | 116.4 | | |
| 41 | A | 50.7 | Low | 46.4 | Very low | 83 Ų | 83 | 121.6 Ų | 121.6 | 69% | 0.686 | 73% | 0.73 | S | S | * | * | | | trans | 85.4 | 162.6 | 141.8 | 0 | 0 | 0 | 0 | 0 | 123.3 | | |
| 42 | D | 49.2 | Very low | 47.4 | Very low | 151 Ų | 151 | 124.4 Ų | 124.4 | 81% | 0.807 | 74% | 0.735 | S | S | * | * | | | trans | 65.1 | 143.4 | 170.3 | -67.6 | -150.3 | 0 | 0 | 0 | 120.6 | | |
| 43 | D | 49.8 | Very low | 48.2 | Very low | 155 Ų | 155 | 121.1 Ų | 121.1 | 83% | 0.829 | 73% | 0.726 | S | S | * | * | | | cis | -169.9 | 162.2 | -31.2 | -144.2 | -28 | 0 | 0 | 0 | 111.5 | | |
| 44 | G | 46.8 | Very low | 48.8 | Very low | 63 Ų | 63 | 119.1 Ų | 119.1 | 65% | 0.649 | 73% | 0.725 | S | S | * | * | | | trans | 102.4 | 98.7 | 147.9 | 0 | 0 | 0 | 0 | 0 | 124.2 | | |
| 45 | A | 49.8 | Very low | 49.7 | Very low | 77 Ų | 77 | 114.3 Ų | 114.3 | 64% | 0.636 | 71% | 0.713 | S | S | * | * | | | | 78.8 | 142.5 | 121 | 0 | 0 | 0 | 0 | 0 | 126.9 | E271 | A45-E271 WeakPolarHBondContact CA-OE1 3.43Š|
| 46 | E | 49.9 | Very low | 50.2 | Low | 104 Ų | 104 | 117.5 Ų | 117.5 | 49% | 0.486 | 71% | 0.712 | S | S | . | * | | | trans | 102.3 | 96.6 | 154 | -51 | -63.6 | 147.4 | 0 | 0 | 121.3 | E271 G272 | E46-E271 VanDerWaalsContact CA-CD 3.42Å; E46-E271 WeakPolarHBondContact CA-OE2 3.37Å; E46-E271 PolarHBondContact N-OE1 2.78Å; E46-E271 PolarHBondContact N-OE2 3.02Å; E46-E271 VanDerWaalsContact N-OE2 3.09Å; E46-E271 VanDerWaalsContact OE2-CA 3.25Å; E46-E271 WeakPolarHBondContact OE2-CA 2.98Å; E46-G272 PolarHBondContact OE2-N 3.14Å |
| 47 | E | 46.6 | Very low | 50 | Low | 134 Ų | 134 | 116 Ų | 116 | 63% | 0.626 | 70% | 0.704 | S | S | * | * | | | trans | -75.3 | -134.5 | 174.8 | -156.7 | -162.7 | -105.9 | 0 | 0 | 115.9 | G49 E271 G272 H273 | E47-G49 PolarHBondContact OE2-N 2.87Å; E47-G49 VanDerWaalsContact OE2-N 3.14Å; E47-E271 PolarHBondContact N-OE2 3.44Å; E47-G272 CarbonylContact O-C 3.38Å; E47-G272 WeakPolarHBondContact O-CA 3.45Å; E47-H273 PolarHBondContact O-N 2.9Å |
| 48 | P | 54.6 | Low | 50.5 | Low | 76 Ų | 76 | 116.5 Ų | 116.5 | 49% | 0.494 | 71% | 0.705 | S | S | . | * | | | cis | -129.5 | -168.9 | 17.7 | 43.8 | -22.4 | 0 | 0 | 0 | 115.6 | H273 | P48-H273 WeakPolarHBondContact CD-O 3.39Š|
| 49 | G | 48.9 | Very low | 51.3 | Low | 56 Ų | 56 | 113.8 Ų | 113.8 | 58% | 0.577 | 70% | 0.703 | S | S | * | * | | | trans | -110.8 | -178.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | E47 | E47-G49 PolarHBondContact OE2-N 2.87Å; E47-G49 VanDerWaalsContact OE2-N 3.14Å |
| 50 | S | 54.2 | Low | 51.3 | Low | 123 Ų | 123 | 114.7 Ų | 114.7 | 86% | 0.86 | 71% | 0.706 | S | S | * | * | | | trans | -176.2 | 103.9 | 164.3 | -76.3 | 0 | 0 | 0 | 0 | 108.8 | | |
| 51 | E | 52.1 | Low | 51.3 | Low | 181 Ų | 181 | 113.6 Ų | 113.6 | 85% | 0.846 | 71% | 0.707 | S | S | * | * | | | | 63.2 | 116.1 | 86.7 | -165 | 178.7 | 117.7 | 0 | 0 | 117.4 | | |
| 52 | T | 57.8 | Low | 51.7 | Low | 126 Ų | 126 | 113.9 Ų | 113.9 | 77% | 0.773 | 69% | 0.694 | S | S | * | * | | | trans | -171.9 | 125.8 | 141 | 14.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 53 | S | 56.1 | Low | 51.7 | Low | 111 Ų | 111 | 112.8 Ų | 112.8 | 78% | 0.776 | 69% | 0.688 | S | S | * | * | | | | 58.6 | 133.5 | 97 | -57.5 | 0 | 0 | 0 | 0 | 115.4 | | |
| 54 | D | 51.6 | Low | 51.9 | Low | 144 Ų | 144 | 108.8 Ų | 108.8 | 77% | 0.77 | 67% | 0.669 | S | S | * | * | | | cis | -141.1 | -170.5 | 5.2 | -165.3 | 33.9 | 0 | 0 | 0 | 106.1 | | |
| 55 | A | 53.3 | Low | 52.1 | Low | 61 Ų | 61 | 111.9 Ų | 111.9 | 50% | 0.504 | 68% | 0.676 | S | S | . | * | | | cis | -164.9 | 146.1 | 15.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 56 | K | 53.7 | Low | 52.4 | Low | 184 Ų | 184 | 112.2 Ų | 112.2 | 80% | 0.8 | 68% | 0.678 | S | S | * | * | | | trans | 67.1 | 151.1 | 148.5 | -67.4 | 157.6 | -171.2 | 157.2 | 0 | 118.1 | | |
| 57 | S | 47.6 | Very low | 52.5 | Low | 90 Ų | 90 | 110.8 Ų | 110.8 | 63% | 0.629 | 68% | 0.678 | S | S | * | * | | | cis | -152.7 | 120.5 | 5.2 | -138.6 | 0 | 0 | 0 | 0 | 115.6 | | |
| 58 | T | 52.1 | Low | 52.9 | Low | 128 Ų | 128 | 112.3 Ų | 112.3 | 79% | 0.785 | 69% | 0.69 | S | S | * | * | | | trans | 62.2 | 152.5 | 130.9 | 50.2 | 0 | 0 | 0 | 0 | 123.4 | | |
| 59 | P | 59.3 | Low | 53.2 | Low | 119 Ų | 119 | 115.1 Ų | 115.1 | 77% | 0.773 | 71% | 0.705 | S | S | * | * | | | trans | -134.4 | -177.1 | -146.6 | 43.6 | -25.9 | 0 | 0 | 0 | 117.3 | | |
| 60 | T | 44.2 | Very low | 53.3 | Low | 133 Ų | 133 | 119.3 Ų | 119.3 | 82% | 0.816 | 71% | 0.714 | S | S | * | * | | | trans | -168.4 | 133.9 | 156.3 | -75 | 0 | 0 | 0 | 0 | 107.5 | | |
| 61 | A | 50 | Low | 53 | Low | 87 Ų | 87 | 120.2 Ų | 120.2 | 72% | 0.719 | 71% | 0.705 | S | S | * | * | | | cis | 101.2 | 129.3 | 14.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 62 | E | 58.5 | Low | 52.8 | Low | 88 Ų | 88 | 123.3 Ų | 123.3 | 41% | 0.411 | 71% | 0.709 | S | S | . | * | | | cis | -162.3 | 147.6 | -16.5 | -86.6 | -170.5 | 139.9 | 0 | 0 | 108.1 | L383 S384 P385 | E62-L383 HydrophobicContact CB-CB 3.77Å; E62-L383 HydrophobicContact CB-CD1 4.34Å; E62-L383 VanDerWaalsContact O-CD1 3.27Å; E62-L383 WeakPolarHBondContact O-CD1 3.27Å; E62-L383 VanDerWaalsContact OE2-CA 3.31Å; E62-L383 WeakPolarHBondContact OE2-CA 3.35Å; E62-L383 WeakPolarHBondContact OE2-CB 3.35Å; E62-L383 PolarHBondContact OE2-N 2.9Å; E62-S384 WeakPolarHBondContact OE1-CA 3.48Å; E62-S384 PolarHBondContact OE1-N 3.09Å; E62-S384 PolarHBondContact OE2-N 2.99Å; E62-P385 VanDerWaalsContact CD-CD 3.47Å; E62-P385 HydrophobicContact CG-CG 4.14Å; E62-P385 WeakPolarHBondContact OE1-CD 3.31Å |
| 63 | D | 49 | Very low | 53.1 | Low | 129 Ų | 129 | 120.1 Ų | 120.1 | 69% | 0.69 | 70% | 0.695 | S | S | * | * | | | trans | -162.8 | 171.8 | 167.3 | -156 | 3.3 | 0 | 0 | 0 | 114.3 | | |
| 64 | V | 53.4 | Low | 53.3 | Low | 71 Ų | 71 | 120.1 Ų | 120.1 | 43% | 0.43 | 69% | 0.693 | S | S | . | * | | | trans | -147 | 147.3 | -167.6 | 174.3 | 0 | 0 | 0 | 0 | 115.4 | S384 | V64-S384 WeakPolarHBondContact CG2-O 3.05Š|
| 65 | T | 52.5 | Low | 53.1 | Low | 128 Ų | 128 | 119 Ų | 119 | 79% | 0.785 | 69% | 0.686 | S | S | * | * | | | trans | 140.2 | 136.7 | 143.6 | -63.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 66 | A | 54.5 | Low | 53.1 | Low | 83 Ų | 83 | 123 Ų | 123 | 69% | 0.686 | 69% | 0.693 | S | S | * | * | | | cis | 174.7 | 163.9 | -20.2 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 67 | P | 53.2 | Low | 52.8 | Low | 75 Ų | 75 | 122.9 Ų | 122.9 | 49% | 0.487 | 70% | 0.695 | S | S | . | * | | | trans | -114.7 | 173.8 | -161.3 | 44 | -39.2 | 0 | 0 | 0 | 116.3 | P388 | P67-P388 HydrophobicContact CB-CB 4.08Å; P67-P388 HydrophobicContact CB-CG 4.29Å; P67-P388 HydrophobicContact CG-CB 3.83Å |
| 68 | L | 55.3 | Low | 52.5 | Low | 166 Ų | 166 | 122.6 Ų | 122.6 | 87% | 0.869 | 70% | 0.698 | S | S | * | * | | | trans | -175.1 | 160.9 | 138.2 | -158.9 | 58 | 0 | 0 | 0 | 115.2 | | |
| 69 | V | 59.4 | Low | 52 | Low | 134 Ų | 134 | 121.4 Ų | 121.4 | 81% | 0.812 | 70% | 0.701 | S | S | * | * | | | trans | 101.3 | 145.9 | 158.2 | -169.2 | 0 | 0 | 0 | 0 | 116.7 | | |
| 70 | D | 51.6 | Low | 51.1 | Low | 145 Ų | 145 | 119.8 Ų | 119.8 | 78% | 0.775 | 70% | 0.698 | S | S | * | * | | | trans | -147.5 | 157.3 | -147 | -168.5 | -132.8 | 0 | 0 | 0 | 113.8 | | |
| 71 | E | 47.5 | Very low | 51.3 | Low | 142 Ų | 142 | 122.1 Ų | 122.1 | 66% | 0.664 | 70% | 0.699 | S | S | * | * | | | trans | 41.5 | 137.1 | 159 | -103.8 | -83.8 | 61 | 0 | 0 | 124.4 | A73 | E71-A73 PolarHBondContact OE1-N 3.15Š|
| 72 | R | 49.3 | Very low | 51.2 | Low | 245 Ų | 245 | 122.5 Ų | 122.5 | 93% | 0.925 | 70% | 0.695 | S | S | * | * | | | trans | -162.8 | 72.8 | 147.9 | -159.5 | -177.9 | -178.7 | -136.9 | -3.6 | 115.1 | | |
| 73 | A | 64 | Low | 50.2 | Low | 60 Ų | 60 | 126.9 Ų | 126.9 | 50% | 0.496 | 72% | 0.715 | S | S | . | * | | | trans | -2.6 | 171.4 | 138.2 | 0 | 0 | 0 | 0 | 0 | 121.2 | E71 | E71-A73 PolarHBondContact OE1-N 3.15Š|
| 74 | P | 58.9 | Low | 49.8 | Very low | 111 Ų | 111 | 126.4 Ų | 126.4 | 72% | 0.721 | 72% | 0.717 | S | S | * | * | | | cis | -143.3 | 176.9 | -49.7 | 41.6 | -26.2 | 0 | 0 | 0 | 113.6 | | |
| 75 | D | 48.6 | Very low | 49.2 | Very low | 119 Ų | 119 | 130.7 Ų | 130.7 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | | | | 173.4 | 140.9 | 127 | -109.3 | -22.3 | 0 | 0 | 0 | 117.5 | | |
| 76 | K | 52 | Low | 49 | Very low | 146 Ų | 146 | 131.6 Ų | 131.6 | 64% | 0.635 | 73% | 0.731 | S | S | * | * | | | trans | 53.9 | 112.2 | 142.7 | -66.7 | 169.4 | -177.1 | 80.8 | 0 | 120.7 | | |
| 77 | Q | 49 | Very low | 48.9 | Very low | 181 Ų | 181 | 133 Ų | 133 | 85% | 0.846 | 73% | 0.733 | S | S | * | * | | | | 74.4 | 135.3 | 89 | -78.4 | -175.6 | -49.5 | 0 | 0 | 115.6 | | |
| 78 | A | 40.3 | Very low | 48.9 | Very low | 85 Ų | 85 | 138.5 Ų | 138.5 | 70% | 0.702 | 75% | 0.752 | S | S | * | * | | | cis | -163.8 | 168.6 | -2.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 79 | A | 42.5 | Very low | 48.6 | Very low | 102 Ų | 102 | 133.6 Ų | 133.6 | 84% | 0.843 | 74% | 0.742 | S | S | * | * | | | trans | 44.2 | 139.5 | 146.7 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 80 | A | 40.5 | Very low | 48.3 | Very low | 86 Ų | 86 | 133.2 Ų | 133.2 | 71% | 0.711 | 73% | 0.734 | S | S | * | * | | | cis | -170.4 | 141.7 | -6.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 81 | Q | 47.2 | Very low | 48.3 | Very low | 181 Ų | 181 | 128 Ų | 128 | 85% | 0.846 | 71% | 0.707 | S | S | * | * | | | trans | 68.7 | 156.1 | 145.7 | -63.3 | -61.5 | -58.5 | 0 | 0 | 121 | | |
| 82 | P | 47.4 | Very low | 48.7 | Very low | 96 Ų | 96 | 123.4 Ų | 123.4 | 62% | 0.623 | 69% | 0.694 | S | S | * | * | | | trans | -139 | -170.9 | -144.3 | 45.4 | -27.1 | 0 | 0 | 0 | 116.2 | | |
| 83 | H | 39.5 | Very low | 49.1 | Very low | 179 Ų | 179 | 116.6 Ų | 116.6 | 83% | 0.829 | 67% | 0.673 | S | S | * | * | | | trans | -147.5 | 128.8 | 165.8 | -73.2 | -74.2 | 0 | 0 | 0 | 113.3 | | |
| 84 | T | 39.7 | Very low | 48.5 | Very low | 119 Ų | 119 | 120.1 Ų | 120.1 | 73% | 0.73 | 68% | 0.679 | S | S | * | * | | | trans | 43.8 | 145 | 140.4 | 54.7 | 0 | 0 | 0 | 0 | 122.8 | | |
| 85 | E | 40 | Very low | 48.2 | Very low | 161 Ų | 161 | 118.9 Ų | 118.9 | 75% | 0.752 | 68% | 0.678 | S | S | * | * | | | cis | -177.6 | -168.3 | -13.5 | -151.6 | -172.4 | 119.5 | 0 | 0 | 110 | | |
| 86 | I | 49.5 | Very low | 48.3 | Very low | 147 Ų | 147 | 116.9 Ų | 116.9 | 75% | 0.754 | 69% | 0.685 | S | S | * | * | | | trans | 76.5 | 149.8 | 158.5 | 43.4 | 178.7 | 0 | 0 | 0 | 121.5 | | |
| 87 | P | 51.7 | Low | 48 | Very low | 113 Ų | 113 | 118.8 Ų | 118.8 | 73% | 0.734 | 70% | 0.701 | S | S | * | * | | | | -142.6 | -125.4 | -129.5 | 45 | -21.7 | 0 | 0 | 0 | 116.8 | | |
| 88 | E | 52.3 | Low | 48 | Very low | 190 Ų | 190 | 113.3 Ų | 113.3 | 89% | 0.888 | 69% | 0.693 | S | S | * | * | | | trans | 81.9 | 141.9 | 176.3 | -57.3 | 176.7 | -157.8 | 0 | 0 | 117.8 | | |
| 89 | G | 50.7 | Low | 48.5 | Very low | 64 Ų | 64 | 117.1 Ų | 117.1 | 66% | 0.66 | 70% | 0.701 | S | S | * | * | | | cis | 171.8 | -173 | -7.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 90 | I | 52.3 | Low | 49.1 | Very low | 125 Ų | 125 | 119 Ų | 119 | 64% | 0.641 | 70% | 0.702 | S | S | * | * | | | trans | 75.8 | 127.2 | 147.8 | 79.3 | 166.3 | 0 | 0 | 0 | 124.7 | | |
| 91 | T | 52.1 | Low | 50 | Low | 36 Ų | 36 | 121 Ų | 121 | 22% | 0.221 | 71% | 0.708 | C | S | . | * | | | trans | 108.4 | 121.8 | 133.2 | 73.7 | 0 | 0 | 0 | 0 | 131.2 | N660 K661 K662 E664 | T91-N660 CarbonylContact C-O 3.49Å; T91-K661 WeakPolarHBondContact CA-O 3.45Å; T91-K662 VanDerWaalsContact CA-N 3.32Å; T91-K662 HydrophobicContact CG2-CB 3.97Å; T91-K662 HydrophobicContact CG2-CG 4.48Å; T91-K662 VanDerWaalsContact CG2-N 3.28Å; T91-K662 PolarHBondContact O-NZ 3.11Å; T91-K662 PolarHBondContact OG1-NZ 2.98Å; T91-E664 HydrophobicContact CG2-CG 3.97Å; T91-E664 PolarHBondContact OG1-OE1 2.93Å |
| 92 | A | 55.7 | Low | 50 | Low | 46 Ų | 46 | 119.8 Ų | 119.8 | 38% | 0.38 | 71% | 0.707 | S | S | . | * | | | trans | -165.5 | 144.8 | 157.6 | 0 | 0 | 0 | 0 | 0 | 118 | N660 K661 K662 | A92-N660 HydrophobicContact CB-CB 4.18Å; A92-N660 PolarHBondContact N-O 2.7Å; A92-N660 CarbonylContact O-C 2.8Å; A92-N660 WeakPolarHBondContact O-CB 3.35Å; A92-K661 WeakPolarHBondContact O-CA 3.33Å; A92-K661 PolarHBondContact O-N 2.83Å; A92-K662 VanDerWaalsContact CA-CG 3.42Å |
| 93 | E | 56.5 | Low | 50.5 | Low | 102 Ų | 102 | 123.1 Ų | 123.1 | 48% | 0.477 | 72% | 0.715 | S | S | . | * | | | trans | -106.1 | 177.8 | -167 | -71.7 | -66 | 69 | 0 | 0 | 118.2 | K661 K662 | E93-K661 WeakPolarHBondContact OE1-CA 3.38Å; E93-K661 VanDerWaalsContact OE1-CB 3.23Å; E93-K661 WeakPolarHBondContact OE1-CB 3.42Å; E93-K661 WeakPolarHBondContact OE1-CG 3.22Å; E93-K661 IonicContact OE1-NZ 2.81Å; E93-K661 PolarHBondContact OE1-NZ 3.28Å; E93-K661 IonicContact OE2-NZ 2.7Å; E93-K661 PolarHBondContact OE2-NZ 3.42Å; E93-K662 HydrophobicContact CG-CB 3.85Å; E93-K662 HydrophobicContact CG-CG 4.01Å; E93-K662 WeakPolarHBondContact OE1-CA 3.27Å |
| 94 | E | 51.7 | Low | 51.4 | Low | 134 Ų | 134 | 121 Ų | 121 | 63% | 0.626 | 71% | 0.705 | S | S | * | * | | | cis | -165.5 | 167.4 | 1.8 | -127.9 | -57.4 | 71.8 | 0 | 0 | 116.1 | K661 | E94-K661 WeakPolarHBondContact OE1-CE 3.33Å; E94-K661 IonicContact OE1-NZ 2.78Å; E94-K661 PolarHBondContact OE1-NZ 2.9Å |
| 95 | A | 52.6 | Low | 52.3 | Low | 85 Ų | 85 | 123.2 Ų | 123.2 | 70% | 0.702 | 71% | 0.713 | S | S | * | * | | | trans | 68.2 | 149.1 | 145 | 0 | 0 | 0 | 0 | 0 | 127.1 | | |
| 96 | G | 50.7 | Low | 53.6 | Low | 77 Ų | 77 | 122.3 Ų | 122.3 | 79% | 0.794 | 71% | 0.708 | S | S | * | * | | | trans | 149 | 134.2 | 156.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 97 | I | 46.6 | Very low | 53.5 | Low | 186 Ų | 186 | 119.9 Ų | 119.9 | 95% | 0.954 | 71% | 0.71 | S | S | * | * | | | trans | -143.1 | 141.9 | 177.1 | -51.8 | 168.7 | 0 | 0 | 0 | 110.8 | | |
| 98 | G | 48.7 | Very low | 53.5 | Low | 66 Ų | 66 | 119.5 Ų | 119.5 | 68% | 0.68 | 72% | 0.717 | S | S | * | * | | | trans | 171.4 | 120.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 99 | D | 50 | Low | 53.2 | Low | 164 Ų | 164 | 113.9 Ų | 113.9 | 88% | 0.877 | 71% | 0.71 | S | S | * | * | | | trans | 37.8 | 124.6 | 149.2 | -54.3 | -21.6 | 0 | 0 | 0 | 123.4 | | |
| 100 | T | 55.2 | Low | 52.6 | Low | 141 Ų | 141 | 119.3 Ų | 119.3 | 87% | 0.865 | 72% | 0.718 | S | S | * | * | | | trans | -122.9 | 130.1 | 146.7 | 48.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 101 | P | 60.6 | Low | 52.4 | Low | 130 Ų | 130 | 118.7 Ų | 118.7 | 84% | 0.844 | 72% | 0.719 | S | S | * | * | | | trans | -88.4 | 152.6 | -171.2 | 33.8 | -35.9 | 0 | 0 | 0 | 114.2 | | |
| 102 | N | 46.3 | Very low | 51.7 | Low | 154 Ų | 154 | 123.3 Ų | 123.3 | 82% | 0.824 | 75% | 0.748 | S | S | * | * | | | trans | -87.7 | 131.1 | 175.2 | -179.6 | 3.2 | 0 | 0 | 0 | 111.8 | | |
| 103 | Q | 57.8 | Low | 51 | Low | 166 Ų | 166 | 130.1 Ų | 130.1 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | | | trans | -150.6 | 151.5 | 162.9 | -80.9 | -165.6 | -22.1 | 0 | 0 | 109.6 | | |
| 104 | E | 58.6 | Low | 50.1 | Low | 134 Ų | 134 | 129 Ų | 129 | 63% | 0.626 | 79% | 0.788 | S | S | * | * | | | cis | -167.6 | 116.8 | -23.5 | -177.3 | 170.3 | 90.1 | 0 | 0 | 106.4 | Q106 | E104-Q106 VanDerWaalsContact CD-NE2 3.26Å; E104-Q106 HydrophobicContact CG-CG 4.39Å; E104-Q106 PolarHBondContact OE1-NE2 2.96Å |
| 105 | D | 59.9 | Low | 49.4 | Very low | 167 Ų | 167 | 132.3 Ų | 132.3 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | | | trans | -110.2 | 133.5 | 172.1 | -168.5 | 19.3 | 0 | 0 | 0 | 110.4 | | |
| 106 | Q | 66.3 | Low | 48.9 | Very low | 141 Ų | 141 | 137 Ų | 137 | 66% | 0.659 | 79% | 0.794 | S | S | * | * | | | trans | -104 | 97.6 | -156.3 | -80.9 | -73.1 | -7.9 | 0 | 0 | 112.4 | E104 | E104-Q106 VanDerWaalsContact CD-NE2 3.26Å; E104-Q106 HydrophobicContact CG-CG 4.39Å; E104-Q106 PolarHBondContact OE1-NE2 2.96Å |
| 107 | A | 47.1 | Very low | 48 | Very low | 96 Ų | 96 | 142.1 Ų | 142.1 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | | | trans | -83.8 | 131 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 108 | A | 51.1 | Low | 47.6 | Very low | 105 Ų | 105 | 137 Ų | 137 | 87% | 0.868 | 79% | 0.79 | S | S | * | * | | | trans | -166 | 148 | 158.5 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 109 | G | 46.6 | Very low | 47 | Very low | 72 Ų | 72 | 142.8 Ų | 142.8 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | | | trans | 85.4 | 101.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 110 | H | 39.3 | Very low | 46.4 | Very low | 179 Ų | 179 | 139.2 Ų | 139.2 | 83% | 0.829 | 79% | 0.793 | S | S | * | * | | | cis | 68.8 | 151.5 | 27.2 | -166.1 | -107.3 | 0 | 0 | 0 | 115.7 | | |
| 111 | V | 47.4 | Very low | 46.2 | Very low | 112 Ų | 112 | 138.5 Ų | 138.5 | 68% | 0.679 | 79% | 0.79 | S | S | * | * | | | trans | 87.5 | 83.5 | -179.5 | -165.1 | 0 | 0 | 0 | 0 | 117.5 | | |
| 112 | T | 38.1 | Very low | 45.1 | Very low | 133 Ų | 133 | 139.2 Ų | 139.2 | 82% | 0.816 | 79% | 0.787 | S | S | * | * | | | trans | -46.7 | 122.3 | 149.1 | -51.4 | 0 | 0 | 0 | 0 | 114.3 | | |
| 113 | Q | 40.5 | Very low | 44.9 | Very low | 188 Ų | 188 | 139.8 Ų | 139.8 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | | | trans | -170.4 | 118.8 | 147.5 | -115.6 | -177.1 | 27 | 0 | 0 | 117 | | |
| 114 | G | 37.9 | Very low | 43.8 | Very low | 79 Ų | 79 | 134.4 Ų | 134.4 | 81% | 0.814 | 78% | 0.778 | S | S | * | * | | | trans | 72.9 | 178.2 | 149.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 115 | R | 37.2 | Very low | 43 | Very low | 203 Ų | 203 | 134.6 Ų | 134.6 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | | | cis | -174.2 | 139.3 | -20 | 170.9 | 171.6 | -171.8 | -128.1 | 9.7 | 111.2 | | |
| 116 | R | 40.9 | Very low | 42 | Very low | 184 Ų | 184 | 131.1 Ų | 131.1 | 69% | 0.694 | 78% | 0.778 | S | S | * | * | | | trans | 69.8 | 142.9 | 175.4 | -72.9 | 167.2 | 174.4 | -177.3 | -5.2 | 114.8 | | |
| 117 | E | 32.5 | Very low | 40.6 | Very low | 185 Ų | 185 | 131.2 Ų | 131.2 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | | | cis | 75.2 | 112.7 | 37.6 | -62.4 | -179 | 123.4 | 0 | 0 | 114.6 | | |
| 118 | G | 37 | Very low | 40.1 | Very low | 77 Ų | 77 | 138.2 Ų | 138.2 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | | | trans | 179.4 | 36.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 119 | Q | 35.8 | Very low | 39.6 | Very low | 189 Ų | 189 | 138.7 Ų | 138.7 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | | | trans | 55.5 | 143.7 | 140.1 | -169.1 | 159.1 | 15.7 | 0 | 0 | 123.6 | | |
| 120 | A | 39.3 | Very low | 39.4 | Very low | 89 Ų | 89 | 145.2 Ų | 145.2 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | | | trans | 75.5 | 158.4 | 156.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 121 | P | 50.9 | Low | 39.3 | Very low | 125 Ų | 125 | 144.7 Ų | 144.7 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | | | cis | -119.3 | 157.1 | 10.5 | 40.7 | -28.3 | 0 | 0 | 0 | 117.9 | | |
| 122 | D | 35.8 | Very low | 38.8 | Very low | 146 Ų | 146 | 146.6 Ų | 146.6 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | | | trans | -89.5 | 162.3 | 158.1 | 174.1 | 35.2 | 0 | 0 | 0 | 110 | | |
| 123 | L | 42.5 | Very low | 38.9 | Very low | 166 Ų | 166 | 146.1 Ų | 146.1 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | | | trans | 145.1 | 115.5 | 171 | -86 | 158.3 | 0 | 0 | 0 | 109.2 | | |
| 124 | G | 35.2 | Very low | 38.9 | Very low | 53 Ų | 53 | 142.6 Ų | 142.6 | 55% | 0.546 | 78% | 0.775 | S | S | . | * | | | cis | 108.9 | 96.5 | -7.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 125 | T | 41.7 | Very low | 38.8 | Very low | 137 Ų | 137 | 143.8 Ų | 143.8 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | | | trans | -167.2 | 134.6 | 160 | 18.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 126 | S | 39 | Very low | 38.9 | Very low | 95 Ų | 95 | 142.4 Ų | 142.4 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | | | trans | 45.2 | 123.8 | 150.8 | 58.8 | 0 | 0 | 0 | 0 | 121 | | |
| 127 | D | 37.1 | Very low | 38.7 | Very low | 142 Ų | 142 | 139.3 Ų | 139.3 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | | | | 71.3 | 116.2 | 55.7 | -69.7 | -55.4 | 0 | 0 | 0 | 116.3 | | |
| 128 | W | 37.4 | Very low | 39.3 | Very low | 244 Ų | 244 | 134 Ų | 134 | 92% | 0.924 | 78% | 0.777 | S | S | * | * | | | | -167.9 | 161.3 | 103.4 | -153.5 | -98.8 | 0 | 0 | 0 | 112.5 | | |
| 129 | T | 38.6 | Very low | 39.4 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | | | trans | -117.3 | 140.9 | -175.3 | -62.1 | 0 | 0 | 0 | 0 | 113 | | |
| 130 | R | 43.5 | Very low | 40 | Very low | 209 Ų | 209 | 131.7 Ų | 131.7 | 79% | 0.789 | 77% | 0.772 | S | S | * | * | | | trans | -156.6 | 145.5 | 148.4 | -140.1 | 172.8 | -178.5 | -85.3 | 3 | 115.3 | | |
| 131 | Q | 37.2 | Very low | 40.3 | Very low | 168 Ų | 168 | 136 Ų | 136 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | | | trans | -86.3 | 164.1 | 172.4 | -55.3 | 166.6 | -5.2 | 0 | 0 | 111.6 | | |
| 132 | Q | 37.8 | Very low | 39.7 | Very low | 153 Ų | 153 | 138.1 Ų | 138.1 | 72% | 0.715 | 79% | 0.786 | S | S | * | * | | | | -167.5 | 122.8 | 117.5 | -105.8 | -177.6 | -113.7 | 0 | 0 | 115.4 | | |
| 133 | V | 39 | Very low | 40.3 | Very low | 123 Ų | 123 | 136 Ų | 136 | 75% | 0.745 | 78% | 0.78 | S | S | * | * | | | trans | 21 | 146.5 | 146 | -111.1 | 0 | 0 | 0 | 0 | 124.7 | | |
| 134 | S | 41.2 | Very low | 40.5 | Very low | 114 Ų | 114 | 137.7 Ų | 137.7 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | | | trans | 115.3 | 151.3 | 135.5 | -73.3 | 0 | 0 | 0 | 0 | 119.1 | | |
| 135 | S | 35.8 | Very low | 40.7 | Very low | 103 Ų | 103 | 137.8 Ų | 137.8 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | | | trans | -131.9 | -178.4 | -158.7 | -48.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 136 | M | 39.2 | Very low | 40.6 | Very low | 175 Ų | 175 | 139 Ų | 139 | 86% | 0.862 | 79% | 0.785 | S | S | * | * | | | trans | 75.5 | 159.5 | 174.2 | -47.3 | -74.3 | 88.2 | 0 | 0 | 114.5 | | |
| 137 | S | 36.3 | Very low | 40.8 | Very low | 119 Ų | 119 | 143.4 Ų | 143.4 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | | | cis | -178.5 | 140.2 | -32.4 | -177.9 | 0 | 0 | 0 | 0 | 106.6 | | |
| 138 | G | 44.8 | Very low | 40.9 | Very low | 73 Ų | 73 | 145 Ų | 145 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | | | trans | 177 | 133.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 139 | A | 40.1 | Very low | 41 | Very low | 100 Ų | 100 | 137 Ų | 137 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | | | trans | -147.4 | -157.5 | -167.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 140 | P | 48.7 | Very low | 40.9 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | | | | -125.5 | 179.1 | -127.1 | 36.8 | -15.5 | 0 | 0 | 0 | 116.3 | | |
| 141 | L | 43.8 | Very low | 40.5 | Very low | 179 Ų | 179 | 132.5 Ų | 132.5 | 94% | 0.937 | 77% | 0.774 | S | S | * | * | | | trans | -141.2 | 171.7 | 170.5 | -75.3 | -179.1 | 0 | 0 | 0 | 114 | | |
| 142 | L | 38.2 | Very low | 40.5 | Very low | 171 Ų | 171 | 132.6 Ų | 132.6 | 90% | 0.895 | 78% | 0.775 | S | S | * | * | | | trans | -139.1 | -170.3 | -149.5 | -96 | 174.1 | 0 | 0 | 0 | 114.4 | | |
| 143 | P | 49.2 | Very low | 41 | Very low | 101 Ų | 101 | 130.3 Ų | 130.3 | 66% | 0.656 | 77% | 0.773 | S | S | * | * | | | trans | -119.6 | 179.7 | -143.8 | 46.1 | -38.6 | 0 | 0 | 0 | 118.7 | | |
| 144 | Q | 47.4 | Very low | 41.1 | Very low | 202 Ų | 202 | 130 Ų | 130 | 94% | 0.944 | 78% | 0.777 | S | S | * | * | | | trans | -173.2 | 170 | 160 | -102.8 | 144.6 | 101.3 | 0 | 0 | 111.4 | | |
| 145 | G | 38.1 | Very low | 41.1 | Very low | 55 Ų | 55 | 127.9 Ų | 127.9 | 57% | 0.567 | 77% | 0.773 | S | S | * | * | | | cis | 168.7 | 99 | -9.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | R147 | G145-R147 PolarHBondContact O-NH1 3.12Š|
| 146 | L | 40.8 | Very low | 41.3 | Very low | 162 Ų | 162 | 130 Ų | 130 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | | | trans | 67.5 | 152.1 | 156.4 | -76.9 | 167.8 | 0 | 0 | 0 | 123.3 | | |
| 147 | R | 42.7 | Very low | 41.1 | Very low | 188 Ų | 188 | 128.8 Ų | 128.8 | 71% | 0.709 | 77% | 0.767 | S | S | * | * | | | trans | 77.9 | 123.5 | 149 | 89.4 | -150.7 | 158 | -82.6 | 15.6 | 120.6 | G145 | G145-R147 PolarHBondContact O-NH1 3.12Š|
| 148 | E | 39.5 | Very low | 41.6 | Very low | 176 Ų | 176 | 128.8 Ų | 128.8 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | | | | 106.1 | 164.3 | 89 | -93 | 179.8 | 114 | 0 | 0 | 110.5 | | |
| 149 | A | 38.4 | Very low | 41.3 | Very low | 74 Ų | 74 | 131.2 Ų | 131.2 | 61% | 0.612 | 76% | 0.756 | S | S | * | * | | | cis | -174.4 | 171.3 | -37.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 150 | T | 37.6 | Very low | 41.4 | Very low | 124 Ų | 124 | 131.8 Ų | 131.8 | 76% | 0.761 | 75% | 0.745 | S | S | * | * | | | trans | 74.8 | 135.7 | 165.6 | -46.1 | 0 | 0 | 0 | 0 | 116.6 | | |
| 151 | C | 35.1 | Very low | 41.3 | Very low | 105 Ų | 105 | 133.3 Ų | 133.3 | 71% | 0.709 | 75% | 0.745 | S | S | * | * | | | cis | 119.3 | 157.9 | -2 | -66.9 | 0 | 0 | 0 | 0 | 115.3 | | |
| 152 | Q | 36.3 | Very low | 41.1 | Very low | 171 Ų | 171 | 131.9 Ų | 131.9 | 80% | 0.799 | 73% | 0.734 | S | S | * | * | | | trans | 82.3 | 160.3 | 165.7 | -53.4 | -58 | -17.7 | 0 | 0 | 118.6 | | |
| 153 | P | 48.5 | Very low | 41.2 | Very low | 104 Ų | 104 | 132.4 Ų | 132.4 | 68% | 0.675 | 73% | 0.729 | S | S | * | * | | | cis | -131.7 | 169.4 | -5.7 | 32.9 | -13.9 | 0 | 0 | 0 | 117.3 | | |
| 154 | S | 41 | Very low | 40.8 | Very low | 118 Ų | 118 | 131.9 Ų | 131.9 | 83% | 0.825 | 73% | 0.728 | S | S | * | * | | | trans | 60.5 | 149 | 149.7 | 58.6 | 0 | 0 | 0 | 0 | 120.5 | | |
| 155 | G | 40.9 | Very low | 40.4 | Very low | 69 Ų | 69 | 130.9 Ų | 130.9 | 71% | 0.711 | 72% | 0.723 | S | S | * | * | | | cis | -177.7 | 163.8 | -3.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 156 | T | 40 | Very low | 40.7 | Very low | 146 Ų | 146 | 133.5 Ų | 133.5 | 90% | 0.896 | 73% | 0.729 | S | S | * | * | | | cis | -156.7 | 165.7 | 30.2 | 46 | 0 | 0 | 0 | 0 | 112.5 | | |
| 157 | R | 35.6 | Very low | 40.5 | Very low | 151 Ų | 151 | 129.8 Ų | 129.8 | 57% | 0.57 | 72% | 0.722 | S | S | * | * | | | trans | -82.5 | 173.7 | 172 | -140.8 | -168.3 | 74.9 | -173.9 | 4.3 | 111.9 | E159 D160 | R157-E159 WeakPolarHBondContact CD-OE1 3.2Å; R157-E159 IonicContact CZ-OE1 3.91Å; R157-E159 IonicContact CZ-OE2 2.63Å; R157-E159 VanDerWaalsContact NE-CD 3.34Å; R157-E159 VanDerWaalsContact NE-N 3.18Å; R157-E159 IonicContact NE-OE1 3.13Å; R157-E159 PolarHBondContact NE-OE1 3.42Å; R157-E159 IonicContact NE-OE2 2.94Å; R157-E159 IonicContact NH1-OE1 2.76Å; R157-E159 PolarHBondContact NH1-OE1 3.26Å; R157-E159 IonicContact NH1-OE2 2.82Å; R157-E159 PolarHBondContact NH1-OE2 2.78Å; R157-E159 VanDerWaalsContact NH2-CD 3.35Å; R157-E159 IonicContact NH2-OE1 3.89Å; R157-E159 IonicContact NH2-OE2 2.9Å; R157-E159 PolarHBondContact NH2-OE2 3.19Å; R157-D160 IonicContact NH2-OD2 3.44Å; R157-D160 PolarHBondContact NH2-OD2 3.4Å |
| 158 | P | 46.4 | Very low | 40.3 | Very low | 119 Ų | 119 | 125.9 Ų | 125.9 | 77% | 0.773 | 72% | 0.724 | S | S | * | * | | | | -134.7 | 176.8 | 73.1 | 21 | 2.7 | 0 | 0 | 0 | 115.8 | | |
| 159 | E | 39.6 | Very low | 40.2 | Very low | 123 Ų | 123 | 125.2 Ų | 125.2 | 58% | 0.575 | 72% | 0.721 | S | S | * | * | | | trans | -97 | -176.3 | 170.7 | -74.5 | 149.4 | -155.4 | 0 | 0 | 107.5 | R157 | R157-E159 WeakPolarHBondContact CD-OE1 3.2Å; R157-E159 IonicContact CZ-OE1 3.91Å; R157-E159 IonicContact CZ-OE2 2.63Å; R157-E159 VanDerWaalsContact NE-CD 3.34Å; R157-E159 VanDerWaalsContact NE-N 3.18Å; R157-E159 IonicContact NE-OE1 3.13Å; R157-E159 PolarHBondContact NE-OE1 3.42Å; R157-E159 IonicContact NE-OE2 2.94Å; R157-E159 IonicContact NH1-OE1 2.76Å; R157-E159 PolarHBondContact NH1-OE1 3.26Å; R157-E159 IonicContact NH1-OE2 2.82Å; R157-E159 PolarHBondContact NH1-OE2 2.78Å; R157-E159 VanDerWaalsContact NH2-CD 3.35Å; R157-E159 IonicContact NH2-OE1 3.89Å; R157-E159 IonicContact NH2-OE2 2.9Å; R157-E159 PolarHBondContact NH2-OE2 3.19Å |
| 160 | D | 42.2 | Very low | 40.2 | Very low | 113 Ų | 113 | 127.6 Ų | 127.6 | 60% | 0.604 | 72% | 0.723 | S | S | * | * | | | | 175.6 | 155.3 | 64.4 | -96.3 | -68.3 | 0 | 0 | 0 | 111.4 | R157 | R157-D160 IonicContact NH2-OD2 3.44Å; R157-D160 PolarHBondContact NH2-OD2 3.4Å |
| 161 | I | 45.9 | Very low | 40.3 | Very low | 149 Ų | 149 | 128.1 Ų | 128.1 | 76% | 0.764 | 72% | 0.72 | S | S | * | * | | | trans | 65.9 | 148 | 150.9 | -68.4 | 165.2 | 0 | 0 | 0 | 118.1 | | |
| 162 | E | 39.2 | Very low | 40.6 | Very low | 149 Ų | 149 | 132.7 Ų | 132.7 | 70% | 0.696 | 72% | 0.722 | S | S | * | * | | | cis | 175.8 | 137 | -24.8 | -176.6 | -156.3 | 110.9 | 0 | 0 | 107.2 | | |
| 163 | K | 41.8 | Very low | 40.5 | Very low | 181 Ų | 181 | 135.5 Ų | 135.5 | 79% | 0.787 | 73% | 0.726 | S | S | * | * | | | trans | 176.9 | 128.9 | 141.2 | -101.7 | 148.3 | -168.1 | 151.4 | 0 | 119 | | |
| 164 | S | 39.5 | Very low | 39.8 | Very low | 90 Ų | 90 | 134 Ų | 134 | 63% | 0.629 | 73% | 0.729 | S | S | * | * | | | trans | 45.6 | 107.7 | 138.9 | 64.5 | 0 | 0 | 0 | 0 | 123.8 | | |
| 165 | H | 38.4 | Very low | 40.1 | Very low | 182 Ų | 182 | 134.4 Ų | 134.4 | 84% | 0.843 | 73% | 0.729 | S | S | * | * | | | | 44.6 | 161.4 | 96.4 | -63.8 | -58.7 | 0 | 0 | 0 | 122 | | |
| 166 | P | 45 | Very low | 40.3 | Very low | 109 Ų | 109 | 136 Ų | 136 | 71% | 0.708 | 73% | 0.727 | S | S | * | * | | | cis | -146.8 | -156.3 | -42.3 | 43.2 | -24 | 0 | 0 | 0 | 113.4 | | |
| 167 | A | 36.9 | Very low | 40.2 | Very low | 84 Ų | 84 | 137.7 Ų | 137.7 | 69% | 0.694 | 72% | 0.724 | S | S | * | * | | | trans | 76.4 | 156.9 | 147.5 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 168 | S | 39.3 | Very low | 40.5 | Very low | 107 Ų | 107 | 138.4 Ų | 138.4 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | | | cis | -173.2 | 138.9 | -21.4 | -95.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 169 | E | 35.8 | Very low | 39.8 | Very low | 161 Ų | 161 | 139.1 Ų | 139.1 | 75% | 0.752 | 73% | 0.725 | S | S | * | * | | | trans | 57.2 | 149.1 | 134.7 | -89.2 | -82.6 | 84.5 | 0 | 0 | 125.6 | | |
| 170 | L | 39.2 | Very low | 40 | Very low | 125 Ų | 125 | 136.2 Ų | 136.2 | 65% | 0.654 | 73% | 0.727 | S | S | * | * | | | trans | 83.7 | 129 | 149.1 | -66.2 | 158.7 | 0 | 0 | 0 | 125.1 | | |
| 171 | L | 40 | Very low | 39.5 | Very low | 134 Ų | 134 | 142.1 Ų | 142.1 | 70% | 0.702 | 74% | 0.741 | S | S | * | * | | | trans | 71.8 | 148.8 | 145.3 | -90.9 | 65 | 0 | 0 | 0 | 120.1 | | |
| 172 | R | 40.9 | Very low | 39.2 | Very low | 202 Ų | 202 | 138.1 Ų | 138.1 | 76% | 0.762 | 74% | 0.737 | S | S | * | * | | | cis | -148 | 155.4 | -2.1 | -102 | -156.9 | -176.5 | -140.4 | -4.9 | 114.8 | | |
| 173 | R | 34 | Very low | 39.1 | Very low | 230 Ų | 230 | 139.3 Ų | 139.3 | 87% | 0.868 | 74% | 0.742 | S | S | * | * | | | trans | -7.5 | 147.9 | 152.2 | -60.9 | 176.2 | 167.2 | -129.4 | -0.5 | 121.7 | | |
| 174 | G | 33.9 | Very low | 38.7 | Very low | 73 Ų | 73 | 135.5 Ų | 135.5 | 75% | 0.753 | 73% | 0.731 | S | S | * | * | | | | 143.7 | 117.1 | 129.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 175 | P | 48.2 | Very low | 38.6 | Very low | 126 Ų | 126 | 140.6 Ų | 140.6 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | | | trans | -102.4 | -166 | 165.5 | 43.9 | -36.2 | 0 | 0 | 0 | 111.1 | | |
| 176 | P | 44.7 | Very low | 38.2 | Very low | 102 Ų | 102 | 139.3 Ų | 139.3 | 66% | 0.662 | 74% | 0.735 | S | S | * | * | | | cis | -145.8 | -175.3 | 6.2 | 44.1 | -23.5 | 0 | 0 | 0 | 119 | | |
| 177 | Q | 38.7 | Very low | 37.6 | Very low | 182 Ų | 182 | 137.7 Ų | 137.7 | 85% | 0.85 | 74% | 0.738 | S | S | * | * | | | trans | 77 | 158.7 | 143 | -90.8 | 176.3 | -39.3 | 0 | 0 | 124.3 | | |
| 178 | K | 40.2 | Very low | 37.5 | Very low | 165 Ų | 165 | 138.1 Ų | 138.1 | 72% | 0.717 | 74% | 0.736 | S | S | * | * | | | trans | 74.1 | 145.4 | 169.1 | -77.5 | -166.3 | 174.9 | -74.5 | 0 | 118.4 | | |
| 179 | E | 32.6 | Very low | 37.2 | Very low | 135 Ų | 135 | 142 Ų | 142 | 63% | 0.631 | 74% | 0.742 | S | S | * | * | | | cis | -167.5 | 163.9 | -19.8 | -160.8 | 150.5 | -111.8 | 0 | 0 | 111.4 | | |
| 180 | G | 43.7 | Very low | 37.3 | Very low | 61 Ų | 61 | 142.5 Ų | 142.5 | 63% | 0.629 | 74% | 0.744 | S | S | * | * | | | trans | 100.6 | 148.4 | 164 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 181 | W | 31.5 | Very low | 37 | Very low | 238 Ų | 238 | 145 Ų | 145 | 90% | 0.902 | 75% | 0.753 | S | S | * | * | | | | -179.1 | 153.3 | -58.9 | -93 | 16.3 | 0 | 0 | 0 | 109.2 | | |
| 182 | G | 39.3 | Very low | 37.4 | Very low | 65 Ų | 65 | 144.5 Ų | 144.5 | 67% | 0.67 | 76% | 0.755 | S | S | * | * | | | trans | 115 | 121.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 183 | Q | 37.5 | Very low | 37.5 | Very low | 173 Ų | 173 | 142.6 Ų | 142.6 | 81% | 0.808 | 76% | 0.76 | S | S | * | * | | | cis | 58.6 | 129.4 | 19.1 | -65.7 | -176.4 | 116.3 | 0 | 0 | 113.2 | | |
| 184 | D | 33 | Very low | 38.1 | Very low | 101 Ų | 101 | 138 Ų | 138 | 54% | 0.54 | 75% | 0.748 | S | S | . | * | | | cis | -147.3 | -170.9 | -1.5 | -80.1 | -25.7 | 0 | 0 | 0 | 108.3 | | |
| 185 | R | 37 | Very low | 38.7 | Very low | 198 Ų | 198 | 141.9 Ų | 141.9 | 75% | 0.747 | 75% | 0.751 | S | S | * | * | | | cis | -139.9 | 176.7 | 7.5 | -111.9 | 109 | -141.1 | -65.8 | -13.7 | 107.7 | | |
| 186 | L | 31.7 | Very low | 38.7 | Very low | 155 Ų | 155 | 142.2 Ų | 142.2 | 81% | 0.812 | 75% | 0.746 | S | S | * | * | | | cis | 80.7 | 127.8 | 27.2 | -70.3 | 171.5 | 0 | 0 | 0 | 117.5 | | |
| 187 | G | 32.2 | Very low | 38.6 | Very low | 75 Ų | 75 | 143.7 Ų | 143.7 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | | | trans | 85.9 | 147.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 188 | S | 33.5 | Very low | 39.1 | Very low | 93 Ų | 93 | 141 Ų | 141 | 65% | 0.65 | 75% | 0.749 | S | S | * | * | | | cis | -153.4 | 144.3 | -13.4 | 37.9 | 0 | 0 | 0 | 0 | 106.3 | | |
| 189 | E | 32.9 | Very low | 39.2 | Very low | 188 Ų | 188 | 140.1 Ų | 140.1 | 88% | 0.879 | 75% | 0.752 | S | S | * | * | | | | 48.4 | 73.2 | 69 | 80.3 | -164.8 | 80.9 | 0 | 0 | 115.6 | | |
| 190 | E | 38.9 | Very low | 39.6 | Very low | 171 Ų | 171 | 142.6 Ų | 142.6 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | | | trans | -162.8 | 126.3 | 154.9 | -97.7 | 167.2 | 107 | 0 | 0 | 103.8 | | |
| 191 | E | 33.4 | Very low | 39.5 | Very low | 179 Ų | 179 | 144.6 Ų | 144.6 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | | | cis | 75.4 | 78.3 | 29.4 | -157.2 | 167.7 | 142.6 | 0 | 0 | 114.2 | | |
| 192 | V | 46.8 | Very low | 40.1 | Very low | 122 Ų | 122 | 138.7 Ų | 138.7 | 74% | 0.739 | 76% | 0.763 | S | S | * | * | | | trans | -143.5 | 83.8 | 152.5 | -172.5 | 0 | 0 | 0 | 0 | 108.2 | | |
| 193 | D | 43.8 | Very low | 40.3 | Very low | 162 Ų | 162 | 144.1 Ų | 144.1 | 87% | 0.866 | 77% | 0.771 | S | S | * | * | | | trans | -123.6 | 59.8 | 163.1 | -162.1 | -118.2 | 0 | 0 | 0 | 106.4 | D195 | D193-D195 PolarHBondContact O-N 3.14Š|
| 194 | E | 47.4 | Very low | 40.6 | Very low | 134 Ų | 134 | 142.4 Ų | 142.4 | 63% | 0.626 | 77% | 0.767 | S | S | * | * | | | trans | -97.2 | 53 | -169.7 | -65.2 | -159.7 | 122.6 | 0 | 0 | 112.8 | L196 | E194-L196 PolarHBondContact O-N 2.78Š|
| 195 | D | 46.7 | Very low | 41.1 | Very low | 154 Ų | 154 | 142.2 Ų | 142.2 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | | | trans | -72.1 | 64.5 | 155.8 | -90.4 | -14.4 | 0 | 0 | 0 | 108.7 | D193 T197 | D193-D195 PolarHBondContact O-N 3.14Å; D195-T197 VanDerWaalsContact C-N 3.26Å; D195-T197 PolarHBondContact O-N 2.86Å |
| 196 | L | 47.4 | Very low | 41.6 | Very low | 134 Ų | 134 | 138.5 Ų | 138.5 | 70% | 0.702 | 78% | 0.775 | S | S | * | * | | | trans | -72 | 81.7 | 176.1 | -83.1 | 176.4 | 0 | 0 | 0 | 110.2 | E194 V198 | E194-L196 PolarHBondContact O-N 2.78Å; L196-V198 VanDerWaalsContact C-N 3.35Å; L196-V198 PolarHBondContact O-N 2.84Å |
| 197 | T | 41.7 | Very low | 42.5 | Very low | 133 Ų | 133 | 136.6 Ų | 136.6 | 82% | 0.816 | 77% | 0.772 | S | S | * | * | | | trans | -66.1 | 92.4 | 167.5 | 58.8 | 0 | 0 | 0 | 0 | 110.1 | D195 | D195-T197 VanDerWaalsContact C-N 3.26Å; D195-T197 PolarHBondContact O-N 2.86Å |
| 198 | V | 50 | Low | 43 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 76% | 0.758 | 77% | 0.773 | S | S | * | * | | | trans | -96.6 | 118.3 | 150 | -66.8 | 0 | 0 | 0 | 0 | 106.1 | L196 | L196-V198 VanDerWaalsContact C-N 3.35Å; L196-V198 PolarHBondContact O-N 2.84Å |
| 199 | D | 42.1 | Very low | 43.4 | Very low | 147 Ų | 147 | 142.3 Ų | 142.3 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | | | | 57.3 | 110.1 | 80.4 | -143 | -100.7 | 0 | 0 | 0 | 109.1 | | |
| 200 | E | 40.8 | Very low | 43.7 | Very low | 186 Ų | 186 | 137.3 Ų | 137.3 | 87% | 0.869 | 77% | 0.772 | S | S | * | * | | | cis | -137.9 | 140 | 45.8 | -170.2 | 177.8 | 92.2 | 0 | 0 | 111.8 | | |
| 201 | S | 41.8 | Very low | 43.7 | Very low | 104 Ų | 104 | 134.1 Ų | 134.1 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | | | trans | -126.2 | 111.2 | -179.6 | 67.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 202 | S | 45 | Very low | 44.1 | Very low | 113 Ų | 113 | 132.7 Ų | 132.7 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | | | trans | -165.3 | 132.2 | 151 | -79.3 | 0 | 0 | 0 | 0 | 108 | | |
| 203 | Q | 43.5 | Very low | 43.9 | Very low | 179 Ų | 179 | 133.1 Ų | 133.1 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | | | cis | 68.2 | 138.3 | 41.5 | -60.6 | -138.9 | -63.3 | 0 | 0 | 113.2 | | |
| 204 | D | 42.4 | Very low | 43.8 | Very low | 137 Ų | 137 | 131.5 Ų | 131.5 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | | | cis | -158.1 | 178.6 | -14.2 | -176.7 | 26.8 | 0 | 0 | 0 | 108.7 | | |
| 205 | S | 43.6 | Very low | 43.4 | Very low | 97 Ų | 97 | 128.8 Ų | 128.8 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | | | trans | -76.2 | 148.9 | -171.3 | -52.9 | 0 | 0 | 0 | 0 | 115.1 | | |
| 206 | P | 48.9 | Very low | 43 | Very low | 121 Ų | 121 | 133.6 Ų | 133.6 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | | | trans | -96.3 | 167.2 | 166.7 | 38.7 | -34.4 | 0 | 0 | 0 | 112.3 | | |
| 207 | P | 50.2 | Low | 42.6 | Very low | 115 Ų | 115 | 132.2 Ų | 132.2 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | | | trans | -142.2 | 124 | 152.6 | 34.5 | -17.7 | 0 | 0 | 0 | 116.7 | | |
| 208 | S | 41.3 | Very low | 42.4 | Very low | 111 Ų | 111 | 130.2 Ų | 130.2 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | | | trans | 64.5 | 163.9 | 134.2 | -52.9 | 0 | 0 | 0 | 0 | 120.3 | | |
| 209 | Q | 41.8 | Very low | 42.3 | Very low | 177 Ų | 177 | 129.4 Ų | 129.4 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | | | cis | -158.1 | 155.6 | 13.3 | -149.4 | 175.8 | 82.8 | 0 | 0 | 113.9 | | |
| 210 | A | 39.4 | Very low | 42.2 | Very low | 83 Ų | 83 | 131.7 Ų | 131.7 | 69% | 0.686 | 79% | 0.789 | S | S | * | * | | | trans | 70 | 152.7 | 152.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 211 | S | 39.7 | Very low | 42.1 | Very low | 104 Ų | 104 | 127.3 Ų | 127.3 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | cis | -160.2 | 157.1 | 3.7 | -9.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 212 | L | 40.9 | Very low | 42 | Very low | 149 Ų | 149 | 126 Ų | 126 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | | | trans | 78 | 98.9 | 142.7 | -67.3 | 169.3 | 0 | 0 | 0 | 124.7 | | |
| 213 | T | 42.7 | Very low | 41.8 | Very low | 130 Ų | 130 | 126.6 Ų | 126.6 | 80% | 0.798 | 79% | 0.792 | S | S | * | * | | | | 77.6 | 153.7 | 126.1 | 55.4 | 0 | 0 | 0 | 0 | 123.8 | | |
| 214 | P | 41.5 | Very low | 41.6 | Very low | 129 Ų | 129 | 121.4 Ų | 121.4 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | | | trans | -122.8 | 169.3 | -157.7 | 42.3 | -28.2 | 0 | 0 | 0 | 117.3 | | |
| 215 | G | 40.7 | Very low | 41.6 | Very low | 76 Ų | 76 | 120.6 Ų | 120.6 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | | | trans | -169.5 | 79.7 | 178 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 216 | R | 37.1 | Very low | 41.4 | Very low | 255 Ų | 255 | 121.9 Ų | 121.9 | 96% | 0.962 | 80% | 0.795 | S | S | * | * | | | trans | 10.9 | 113.8 | 145.7 | -178.5 | -166.8 | -176.1 | -143.7 | 4.8 | 120.2 | | |
| 217 | A | 38.9 | Very low | 40.9 | Very low | 105 Ų | 105 | 122.4 Ų | 122.4 | 87% | 0.868 | 80% | 0.8 | S | S | * | * | | | trans | -173.5 | 159.4 | 137.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 218 | A | 38.7 | Very low | 40.4 | Very low | 91 Ų | 91 | 120.3 Ų | 120.3 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | | | trans | -126.8 | -171.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 219 | P | 46.4 | Very low | 40.4 | Very low | 109 Ų | 109 | 124.6 Ų | 124.6 | 71% | 0.708 | 81% | 0.808 | S | S | * | * | | | cis | -138.5 | 175 | -3.6 | 43.5 | -27 | 0 | 0 | 0 | 116.2 | | |
| 220 | Q | 41.2 | Very low | 40.2 | Very low | 194 Ų | 194 | 122.5 Ų | 122.5 | 91% | 0.907 | 81% | 0.807 | S | S | * | * | | | trans | 172.2 | 163.5 | 145.9 | -100.4 | 161.1 | 94.4 | 0 | 0 | 110.7 | | |
| 221 | A | 39.3 | Very low | 40.4 | Very low | 94 Ų | 94 | 123 Ų | 123 | 78% | 0.777 | 81% | 0.811 | S | S | * | * | | | cis | -174.4 | 130.2 | -45 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 222 | G | 38.3 | Very low | 40.3 | Very low | 76 Ų | 76 | 123.3 Ų | 123.3 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | | | trans | 84.1 | 156.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 223 | S | 41.4 | Very low | 40.7 | Very low | 126 Ų | 126 | 122.7 Ų | 122.7 | 88% | 0.881 | 82% | 0.816 | S | S | * | * | | | cis | -176.2 | 127.2 | -16.2 | 44 | 0 | 0 | 0 | 0 | 112.9 | | |
| 224 | G | 38.3 | Very low | 41.2 | Very low | 71 Ų | 71 | 122.3 Ų | 122.3 | 73% | 0.732 | 82% | 0.816 | S | S | * | * | | | trans | 85.1 | -179.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 225 | S | 42.7 | Very low | 41.3 | Very low | 119 Ų | 119 | 119.3 Ų | 119.3 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | | | cis | 176.7 | 160.5 | -21.3 | -89.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 226 | V | 39.7 | Very low | 41.2 | Very low | 124 Ų | 124 | 123.5 Ų | 123.5 | 75% | 0.752 | 81% | 0.812 | S | S | * | * | | | cis | -172.2 | 148.8 | -31 | 70 | 0 | 0 | 0 | 0 | 110 | | |
| 227 | C | 39.5 | Very low | 42 | Very low | 132 Ų | 132 | 116.4 Ų | 116.4 | 89% | 0.892 | 80% | 0.798 | S | S | * | * | | | trans | 63 | 160.7 | 175.3 | -66.3 | 0 | 0 | 0 | 0 | 117.7 | | |
| 228 | G | 39 | Very low | 42.3 | Very low | 72 Ų | 72 | 117.8 Ų | 117.8 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | | | cis | 169 | -179.7 | -7.5 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 229 | E | 41.1 | Very low | 42.5 | Very low | 200 Ų | 200 | 121.4 Ų | 121.4 | 94% | 0.935 | 80% | 0.797 | S | S | * | * | | | trans | 89.2 | 168.1 | 166.4 | -145 | 148.5 | 110.2 | 0 | 0 | 120.6 | | |
| 230 | T | 38.5 | Very low | 42.7 | Very low | 133 Ų | 133 | 119.3 Ų | 119.3 | 82% | 0.816 | 80% | 0.796 | S | S | * | * | | | trans | -128.7 | -178.7 | -140.5 | 68.3 | 0 | 0 | 0 | 0 | 114.5 | | |
| 231 | A | 42.3 | Very low | 42.8 | Very low | 94 Ų | 94 | 114.5 Ų | 114.5 | 78% | 0.777 | 78% | 0.784 | S | S | * | * | | | cis | -139.9 | -132.8 | 15.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 232 | S | 37.7 | Very low | 43.2 | Very low | 111 Ų | 111 | 116.6 Ų | 116.6 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | | | cis | -155.9 | -163.9 | 17.3 | -164.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 233 | V | 50.4 | Low | 44 | Very low | 136 Ų | 136 | 118.4 Ų | 118.4 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | | | trans | -138.1 | 167.1 | -161.8 | -86.4 | 0 | 0 | 0 | 0 | 116.8 | | |
| 234 | P | 52.8 | Low | 44.8 | Very low | 122 Ų | 122 | 120.3 Ų | 120.3 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | | | trans | -131.6 | -149.6 | -153.5 | 46.1 | -29.1 | 0 | 0 | 0 | 116.5 | | |
| 235 | G | 43 | Very low | 45.4 | Very low | 65 Ų | 65 | 122.9 Ų | 122.9 | 67% | 0.67 | 79% | 0.788 | S | S | * | * | | | trans | -146 | 168 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 236 | L | 38.2 | Very low | 45.4 | Very low | 165 Ų | 165 | 121.9 Ų | 121.9 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | | | trans | -135.7 | -123.4 | -156.4 | -64.3 | 174.7 | 0 | 0 | 0 | 118.9 | | |
| 237 | P | 53.6 | Low | 46 | Very low | 106 Ų | 106 | 122.2 Ų | 122.2 | 69% | 0.688 | 78% | 0.784 | S | S | * | * | | | | -151 | -147.9 | -113.3 | 49.8 | -29.6 | 0 | 0 | 0 | 120.7 | | |
| 238 | T | 46.6 | Very low | 46.5 | Very low | 133 Ų | 133 | 123.7 Ų | 123.7 | 82% | 0.816 | 78% | 0.775 | S | S | * | * | | | trans | 85.2 | 150.4 | 159.2 | 30 | 0 | 0 | 0 | 0 | 120.4 | | |
| 239 | E | 43.5 | Very low | 46.7 | Very low | 167 Ų | 167 | 128.1 Ų | 128.1 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | | | cis | -117.7 | -139.7 | 1.9 | -151.9 | -164.7 | 87.9 | 0 | 0 | 112 | S241 | E239-S241 WeakPolarHBondContact OE1-CB 3.25Å; E239-S241 PolarHBondContact OE1-OG 2.79Å |
| 240 | G | 49.6 | Very low | 46.8 | Very low | 65 Ų | 65 | 124.1 Ų | 124.1 | 67% | 0.67 | 77% | 0.769 | S | S | * | * | | | cis | 160.5 | 177.6 | 3.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 241 | S | 44.1 | Very low | 46.6 | Very low | 94 Ų | 94 | 127.2 Ų | 127.2 | 66% | 0.657 | 77% | 0.771 | S | S | * | * | | | cis | 174 | 152.5 | -20.6 | -96.1 | 0 | 0 | 0 | 0 | 107.2 | E239 | E239-S241 WeakPolarHBondContact OE1-CB 3.25Å; E239-S241 PolarHBondContact OE1-OG 2.79Å |
| 242 | V | 46.9 | Very low | 46.5 | Very low | 137 Ų | 137 | 129.2 Ų | 129.2 | 83% | 0.83 | 77% | 0.773 | S | S | * | * | | | cis | -159.9 | 174 | 3.4 | -95.7 | 0 | 0 | 0 | 0 | 111 | | |
| 243 | P | 55.5 | Low | 46.5 | Very low | 114 Ų | 114 | 129.4 Ų | 129.4 | 74% | 0.74 | 77% | 0.774 | S | S | * | * | | | trans | -127 | -154.8 | -163.1 | 45.6 | -31.9 | 0 | 0 | 0 | 116.5 | | |
| 244 | L | 57.7 | Low | 46.1 | Very low | 167 Ų | 167 | 127.5 Ų | 127.5 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | | | trans | 175.9 | 162.6 | 130.6 | -88 | 178.2 | 0 | 0 | 0 | 114.8 | | |
| 245 | P | 50.5 | Low | 45.3 | Very low | 125 Ų | 125 | 130.1 Ų | 130.1 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | | | trans | -131 | -150.1 | -157.3 | 47.4 | -32.1 | 0 | 0 | 0 | 117.7 | | |
| 246 | A | 43.5 | Very low | 44.8 | Very low | 98 Ų | 98 | 132.4 Ų | 132.4 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | | | trans | -130.5 | -170 | -165.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 247 | D | 52.9 | Low | 44.5 | Very low | 130 Ų | 130 | 133.1 Ų | 133.1 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | | | trans | -159.7 | -179.7 | 170 | -148.4 | 13.1 | 0 | 0 | 0 | 108.1 | | |
| 248 | F | 49.5 | Very low | 43.5 | Very low | 163 Ų | 163 | 132.3 Ų | 132.3 | 72% | 0.715 | 78% | 0.777 | S | S | * | * | | | cis | -156 | -162 | 7.5 | -167.4 | 32.2 | 0 | 0 | 0 | 111.3 | | |
| 249 | F | 43.3 | Very low | 42.9 | Very low | 165 Ų | 165 | 132 Ų | 132 | 72% | 0.724 | 78% | 0.78 | S | S | * | * | | | trans | -131.5 | -177.7 | -172.5 | -47.3 | -72.6 | 0 | 0 | 0 | 112 | | |
| 250 | S | 42.3 | Very low | 42.7 | Very low | 117 Ų | 117 | 132.6 Ų | 132.6 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | cis | -159 | -161.5 | 12.8 | -162.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 251 | K | 35 | Very low | 42.3 | Very low | 198 Ų | 198 | 135.3 Ų | 135.3 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | | | trans | -130.2 | 158.1 | 172.2 | -75.5 | -171.5 | 176 | -175 | 0 | 112.9 | | |
| 252 | V | 39.4 | Very low | 41.9 | Very low | 136 Ų | 136 | 139.8 Ų | 139.8 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | | | trans | -142.8 | 122.6 | 172.6 | 172.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 253 | S | 38.3 | Very low | 41.6 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | | | trans | 49.7 | 158.4 | 149.1 | -55.3 | 0 | 0 | 0 | 0 | 124.9 | | |
| 254 | A | 41.8 | Very low | 41.1 | Very low | 97 Ų | 97 | 137.6 Ų | 137.6 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | | | trans | 71.9 | 148.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 255 | E | 35.5 | Very low | 40.1 | Very low | 177 Ų | 177 | 132.9 Ų | 132.9 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | | | cis | -161.7 | 153.7 | -19.3 | 177.1 | 166.5 | 108.4 | 0 | 0 | 110.5 | | |
| 256 | T | 33.5 | Very low | 39.6 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 69% | 0.687 | 80% | 0.796 | S | S | * | * | | | trans | 24.8 | 116.7 | 160.3 | -53.8 | 0 | 0 | 0 | 0 | 123.4 | | |
| 257 | Q | 32.1 | Very low | 39.2 | Very low | 181 Ų | 181 | 132.2 Ų | 132.2 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | | | trans | 43.1 | 125.2 | 143.8 | -65.3 | -165.9 | 51.3 | 0 | 0 | 124.5 | | |
| 258 | A | 31.8 | Very low | 38.5 | Very low | 89 Ų | 89 | 131.8 Ų | 131.8 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | | | | 64.8 | 110.4 | 126.6 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 259 | S | 35 | Very low | 37.9 | Very low | 125 Ų | 125 | 132.3 Ų | 132.3 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | | | | -177.3 | 164.1 | 110.7 | 52.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 260 | Q | 39.7 | Very low | 37.5 | Very low | 181 Ų | 181 | 132.4 Ų | 132.4 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | | | trans | -92.3 | 176.2 | 175.6 | -71.3 | -164.4 | -37.6 | 0 | 0 | 113.1 | | |
| 261 | P | 40.6 | Very low | 37.3 | Very low | 121 Ų | 121 | 131.1 Ų | 131.1 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | | | | -146.1 | -166.8 | 100.8 | 41.5 | -25.4 | 0 | 0 | 0 | 116.5 | | |
| 262 | E | 34.3 | Very low | 37.6 | Very low | 189 Ų | 189 | 123.1 Ų | 123.1 | 88% | 0.883 | 76% | 0.757 | S | S | * | * | | | trans | -61.7 | 176.7 | -174 | -57.4 | 166.3 | 85.1 | 0 | 0 | 116.5 | | |
| 263 | G | 41.2 | Very low | 37.7 | Very low | 69 Ų | 69 | 124.2 Ų | 124.2 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | | | cis | -174.2 | -140.6 | 13 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 264 | P | 45.3 | Very low | 37.8 | Very low | 136 Ų | 136 | 127.1 Ų | 127.1 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | | | | -141.1 | 176.8 | -94.5 | 41.3 | -25.7 | 0 | 0 | 0 | 119.4 | | |
| 265 | G | 37.8 | Very low | 37.6 | Very low | 68 Ų | 68 | 127.4 Ų | 127.4 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | | | trans | 169 | -172.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 266 | T | 39.3 | Very low | 38 | Very low | 145 Ų | 145 | 123.3 Ų | 123.3 | 89% | 0.89 | 75% | 0.753 | S | S | * | * | | | cis | 170.8 | 138.7 | -30.8 | -74.7 | 0 | 0 | 0 | 0 | 107.3 | | |
| 267 | G | 34 | Very low | 38.6 | Very low | 64 Ų | 64 | 123.6 Ų | 123.6 | 66% | 0.66 | 76% | 0.756 | S | S | * | * | | | cis | 116 | 142.6 | -2.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 268 | P | 38.3 | Very low | 39 | Very low | 121 Ų | 121 | 122.3 Ų | 122.3 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | | | cis | -141.2 | 175.8 | -8.4 | 44.3 | -26.2 | 0 | 0 | 0 | 117.5 | | |
| 269 | M | 37.7 | Very low | 39.4 | Very low | 173 Ų | 173 | 127.3 Ų | 127.3 | 85% | 0.852 | 76% | 0.756 | S | S | * | * | | | trans | 24.5 | 148 | 146.9 | -63.1 | 176.7 | 65.4 | 0 | 0 | 125.3 | | |
| 270 | E | 33.8 | Very low | 39.9 | Very low | 168 Ų | 168 | 127.4 Ų | 127.4 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | | | | -166.5 | -175.5 | 128.8 | -103.8 | -70.2 | 83.1 | 0 | 0 | 111.3 | | |
| 271 | E | 38.7 | Very low | 39.9 | Very low | 90 Ų | 90 | 126.3 Ų | 126.3 | 42% | 0.421 | 74% | 0.744 | S | S | . | * | | | trans | 119 | 150.3 | 146.6 | -62.5 | -167.4 | 166.3 | 0 | 0 | 121.7 | A45 E46 E47 | A45-E271 WeakPolarHBondContact CA-OE1 3.43Å; E46-E271 VanDerWaalsContact CA-CD 3.42Å; E46-E271 WeakPolarHBondContact CA-OE2 3.37Å; E46-E271 PolarHBondContact N-OE1 2.78Å; E46-E271 PolarHBondContact N-OE2 3.02Å; E46-E271 VanDerWaalsContact N-OE2 3.09Å; E46-E271 VanDerWaalsContact OE2-CA 3.25Å; E46-E271 WeakPolarHBondContact OE2-CA 2.98Å; E47-E271 PolarHBondContact N-OE2 3.44Å |
| 272 | G | 40.9 | Very low | 40.2 | Very low | 29 Ų | 29 | 128 Ų | 128 | 30% | 0.299 | 74% | 0.741 | S | S | . | * | | | trans | 142.8 | 152.8 | 140.1 | 0 | 0 | 0 | 0 | 0 | 123.3 | E46 E47 | E46-G272 PolarHBondContact OE2-N 3.14Å; E47-G272 CarbonylContact O-C 3.38Å; E47-G272 WeakPolarHBondContact O-CA 3.45Å |
| 273 | H | 43 | Very low | 40.5 | Very low | 159 Ų | 159 | 123.8 Ų | 123.8 | 74% | 0.736 | 73% | 0.728 | S | S | * | * | | | trans | -149.6 | 174.8 | -173.4 | -124.7 | -96.2 | 0 | 0 | 0 | 116.2 | E47 P48 | E47-H273 PolarHBondContact O-N 2.9Å; P48-H273 WeakPolarHBondContact CD-O 3.39Å |
| 274 | E | 38.6 | Very low | 40.9 | Very low | 176 Ų | 176 | 129.1 Ų | 129.1 | 82% | 0.822 | 74% | 0.735 | S | S | * | * | | | trans | 151.7 | 144.2 | 144.6 | -176.9 | 161.5 | -159.9 | 0 | 0 | 117.5 | | |
| 275 | A | 38.7 | Very low | 40.8 | Very low | 102 Ų | 102 | 129.4 Ų | 129.4 | 84% | 0.843 | 73% | 0.727 | S | S | * | * | | | trans | 179.5 | 148.1 | 140.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 276 | A | 44.8 | Very low | 41.5 | Very low | 92 Ų | 92 | 135.6 Ų | 135.6 | 76% | 0.76 | 74% | 0.735 | S | S | * | * | | | trans | -135.5 | 173.2 | -165.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 277 | P | 44.7 | Very low | 42.1 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 77% | 0.766 | 73% | 0.729 | S | S | * | * | | | trans | -132.8 | 168.4 | -175.7 | 43 | -27.7 | 0 | 0 | 0 | 118.7 | | |
| 278 | E | 39.9 | Very low | 42.6 | Very low | 154 Ų | 154 | 134.8 Ų | 134.8 | 72% | 0.72 | 73% | 0.73 | S | S | * | * | | | trans | -142.9 | -170.1 | 175.8 | -76 | -153.8 | 125.7 | 0 | 0 | 116.4 | L649 | E278-L649 VanDerWaalsContact OE2-CD1 3.27Å; E278-L649 WeakPolarHBondContact OE2-CD1 3.36Å |
| 279 | F | 41.4 | Very low | 42.8 | Very low | 193 Ų | 193 | 134.7 Ų | 134.7 | 85% | 0.846 | 73% | 0.728 | S | S | * | * | | | trans | -108.7 | -149.6 | -155.9 | -60.9 | -85.8 | 0 | 0 | 0 | 116.1 | | |
| 280 | T | 45.4 | Very low | 43 | Very low | 127 Ų | 127 | 131.4 Ų | 131.4 | 78% | 0.779 | 72% | 0.719 | S | S | * | * | | | cis | -154.6 | -152 | 14.8 | -33.6 | 0 | 0 | 0 | 0 | 112.3 | | |
| 281 | F | 40.6 | Very low | 43.2 | Very low | 159 Ų | 159 | 131 Ų | 131 | 70% | 0.697 | 72% | 0.715 | S | S | * | * | | | trans | -153.3 | 169.5 | -168.9 | 65.8 | -86.9 | 0 | 0 | 0 | 115.9 | | |
| 282 | H | 46.1 | Very low | 43.1 | Very low | 155 Ų | 155 | 133.4 Ų | 133.4 | 72% | 0.718 | 73% | 0.726 | S | S | * | * | | | trans | 169.9 | 158.5 | 143.4 | -91.9 | 93.4 | 0 | 0 | 0 | 113.3 | | |
| 283 | V | 41.3 | Very low | 43 | Very low | 102 Ų | 102 | 140.1 Ų | 140.1 | 62% | 0.618 | 75% | 0.75 | S | S | * | * | | | trans | -153.1 | 152 | -169.7 | 173.8 | 0 | 0 | 0 | 0 | 113.6 | F638 | V283-F638 HydrophobicContact CG2-CD2 4.46Å; V283-F638 HydrophobicContact CG2-CE2 4.18Å |
| 284 | E | 48.7 | Very low | 42.7 | Very low | 181 Ų | 181 | 137.8 Ų | 137.8 | 85% | 0.846 | 74% | 0.743 | S | S | * | * | | | trans | -134.5 | 177.9 | 168.8 | -83.8 | -153 | 125.1 | 0 | 0 | 114.9 | | |
| 285 | I | 42.2 | Very low | 43.1 | Very low | 141 Ų | 141 | 136 Ų | 136 | 72% | 0.723 | 74% | 0.738 | S | S | * | * | | | trans | -140 | 141.4 | -145.9 | -59.2 | 154.9 | 0 | 0 | 0 | 115 | | |
| 286 | K | 54 | Low | 43 | Very low | 199 Ų | 199 | 139 Ų | 139 | 87% | 0.865 | 74% | 0.735 | S | S | * | * | | | trans | -179.8 | 140.6 | 135.8 | -109 | 164.7 | -176.8 | 164.9 | 0 | 119 | | |
| 287 | A | 51.9 | Low | 42.6 | Very low | 92 Ų | 92 | 138.3 Ų | 138.3 | 76% | 0.76 | 74% | 0.737 | S | S | * | * | | | trans | 45.2 | 144.8 | 137.9 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 288 | S | 44.3 | Very low | 42.1 | Very low | 99 Ų | 99 | 137.2 Ų | 137.2 | 69% | 0.692 | 74% | 0.738 | S | S | * | * | | | cis | -155.5 | 143.6 | 13.8 | -106.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 289 | T | 42.3 | Very low | 41.6 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 74% | 0.736 | 74% | 0.742 | S | S | * | * | | | | 46.4 | 148.9 | 84.6 | 76.9 | 0 | 0 | 0 | 0 | 116.6 | | |
| 290 | P | 41.5 | Very low | 41.4 | Very low | 104 Ų | 104 | 133 Ų | 133 | 68% | 0.675 | 74% | 0.738 | S | S | * | * | | | cis | -135.7 | -155.6 | -12.6 | 30.8 | -6.1 | 0 | 0 | 0 | 112.8 | | |
| 291 | K | 38 | Very low | 40.9 | Very low | 160 Ų | 160 | 133.8 Ų | 133.8 | 70% | 0.696 | 74% | 0.742 | S | S | * | * | | | trans | 71.8 | 155.5 | 152.7 | -79.6 | 170.6 | 162 | -86.3 | 0 | 116.6 | | |
| 292 | E | 36.7 | Very low | 40.4 | Very low | 140 Ų | 140 | 129.9 Ų | 129.9 | 65% | 0.654 | 75% | 0.747 | S | S | * | * | | | cis | -156.7 | -168.1 | -9.9 | -133.2 | 157.5 | 169.1 | 0 | 0 | 109.5 | | |
| 293 | Q | 38.3 | Very low | 40.2 | Very low | 170 Ų | 170 | 129.1 Ų | 129.1 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | | | trans | 77.4 | 137.6 | 160.5 | -45.5 | -154.9 | -95.2 | 0 | 0 | 117.7 | | |
| 294 | D | 37.8 | Very low | 40 | Very low | 110 Ų | 110 | 129.8 Ų | 129.8 | 59% | 0.588 | 76% | 0.759 | S | S | * | * | | | cis | -163 | 155.1 | -17.9 | -118.6 | -39.2 | 0 | 0 | 0 | 111.5 | | |
| 295 | L | 46 | Very low | 39.2 | Very low | 137 Ų | 137 | 124.2 Ų | 124.2 | 72% | 0.717 | 75% | 0.751 | S | S | * | * | | | trans | 63.4 | 154.3 | 150.8 | -63.6 | 167.7 | 0 | 0 | 0 | 118.7 | | |
| 296 | E | 38.2 | Very low | 38.8 | Very low | 166 Ų | 166 | 125 Ų | 125 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | | | cis | -158.7 | 144 | -11.4 | 41.8 | -169.7 | 95.2 | 0 | 0 | 113.4 | | |
| 297 | G | 35.5 | Very low | 37.5 | Very low | 78 Ų | 78 | 123.3 Ų | 123.3 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | | | trans | 75.4 | 171.3 | 159 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 298 | A | 34.9 | Very low | 36.8 | Very low | 95 Ų | 95 | 126.3 Ų | 126.3 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | | | cis | -167.7 | 122.5 | -23.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 299 | T | 28.8 | Very low | 36.1 | Very low | 131 Ų | 131 | 128.8 Ų | 128.8 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | S | Bend | cis | -155.9 | 147.2 | -11.2 | 46.2 | 0 | 0 | 0 | 0 | 106.1 | | |
| 300 | V | 36.5 | Very low | 35.7 | Very low | 128 Ų | 128 | 126.9 Ų | 126.9 | 78% | 0.776 | 74% | 0.739 | S | S | * | * | S | Bend | cis | -130.7 | 143.7 | 17.3 | 175.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 301 | V | 35.6 | Very low | 35.3 | Very low | 142 Ų | 142 | 130.1 Ų | 130.1 | 86% | 0.861 | 75% | 0.746 | S | S | * | * | S | Bend | trans | 32.8 | 93.8 | 174.8 | -171.1 | 0 | 0 | 0 | 0 | 116.7 | | |
| 302 | G | 31.1 | Very low | 35 | Very low | 78 Ų | 78 | 128.3 Ų | 128.3 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | | | trans | 95.4 | 53.6 | 136.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 303 | V | 41.6 | Very low | 34.7 | Very low | 138 Ų | 138 | 131.4 Ų | 131.4 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | | | trans | -128.8 | 147.7 | 164.1 | 172.6 | 0 | 0 | 0 | 0 | 106.5 | | |
| 304 | P | 36.3 | Very low | 34.3 | Very low | 116 Ų | 116 | 126.1 Ų | 126.1 | 75% | 0.753 | 75% | 0.754 | S | S | * | * | | | cis | -111.6 | -167.7 | 8.4 | 26.7 | -3.2 | 0 | 0 | 0 | 111.7 | | |
| 305 | G | 32.3 | Very low | 34.3 | Very low | 65 Ų | 65 | 127 Ų | 127 | 67% | 0.67 | 77% | 0.766 | S | S | * | * | | | cis | 94.8 | 151.7 | 14.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 306 | E | 34.1 | Very low | 33.6 | Very low | 156 Ų | 156 | 125.5 Ų | 125.5 | 73% | 0.729 | 77% | 0.767 | S | S | * | * | | | trans | 57.7 | 74.3 | 172.4 | -62 | -166.3 | 83.6 | 0 | 0 | 118.6 | Q308 | E306-Q308 VanDerWaalsContact C-N 3.31Å; E306-Q308 PolarHBondContact O-N 2.89Å; E306-Q308 VanDerWaalsContact O-N 3.14Å; E306-Q308 PolarHBondContact OE1-NE2 2.92Å |
| 307 | E | 27 | Very low | 33.5 | Very low | 164 Ų | 164 | 124.3 Ų | 124.3 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | | | trans | -73.3 | 91.5 | 142.4 | -172.9 | -176 | 123.6 | 0 | 0 | 108.3 | K309 | E307-K309 HydrophobicContact CG-CB 4.24Å; E307-K309 PolarHBondContact O-N 2.91Å; E307-K309 WeakPolarHBondContact OE1-CB 3.4Å; E307-K309 WeakPolarHBondContact OE1-CD 3.21Å |
| 308 | Q | 35.8 | Very low | 33.4 | Very low | 156 Ų | 156 | 123.6 Ų | 123.6 | 73% | 0.729 | 76% | 0.763 | S | S | * | * | | | trans | -71.2 | 82.6 | 164.7 | -76 | -165.4 | 7.3 | 0 | 0 | 109.8 | E306 A310 | E306-Q308 VanDerWaalsContact C-N 3.31Å; E306-Q308 PolarHBondContact O-N 2.89Å; E306-Q308 VanDerWaalsContact O-N 3.14Å; E306-Q308 PolarHBondContact OE1-NE2 2.92Å; Q308-A310 VanDerWaalsContact C-N 3.25Å; Q308-A310 PolarHBondContact O-N 3Å |
| 309 | K | 29.2 | Very low | 33.5 | Very low | 151 Ų | 151 | 129.2 Ų | 129.2 | 66% | 0.657 | 77% | 0.77 | S | S | * | * | | | trans | -75.4 | 73.7 | 176.7 | -163.9 | -178.4 | -176.4 | 166.5 | 0 | 112.4 | E307 | E307-K309 HydrophobicContact CG-CB 4.24Å; E307-K309 PolarHBondContact O-N 2.91Å; E307-K309 WeakPolarHBondContact OE1-CB 3.4Å; E307-K309 WeakPolarHBondContact OE1-CD 3.21Å |
| 310 | A | 34.1 | Very low | 33.8 | Very low | 79 Ų | 79 | 126.1 Ų | 126.1 | 65% | 0.653 | 76% | 0.764 | S | S | * | * | | | trans | -147.6 | 106.2 | 161.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | Q308 T312 | Q308-A310 VanDerWaalsContact C-N 3.25Å; Q308-A310 PolarHBondContact O-N 3Å; A310-T312 VanDerWaalsContact C-N 3.27Å |
| 311 | Q | 34 | Very low | 34 | Very low | 173 Ų | 173 | 126.1 Ų | 126.1 | 81% | 0.808 | 76% | 0.764 | S | S | * | * | | | cis | 54 | 33.3 | 27.6 | -146.6 | -175.1 | 26.6 | 0 | 0 | 114.8 | | |
| 312 | T | 30.9 | Very low | 34.4 | Very low | 121 Ų | 121 | 128.4 Ų | 128.4 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | | | trans | -139 | 107 | 148.4 | -54.4 | 0 | 0 | 0 | 0 | 109.4 | A310 | A310-T312 VanDerWaalsContact C-N 3.27Š|
| 313 | Q | 30.3 | Very low | 34.7 | Very low | 205 Ų | 205 | 133.5 Ų | 133.5 | 96% | 0.958 | 77% | 0.765 | S | S | * | * | | | trans | -137.1 | 117.4 | 155.7 | -166 | 175.3 | 82.1 | 0 | 0 | 109 | | |
| 314 | G | 30.2 | Very low | 34.6 | Very low | 59 Ų | 59 | 131.2 Ų | 131.2 | 61% | 0.608 | 76% | 0.761 | S | S | * | * | | | trans | 141 | 106.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 315 | P | 37.2 | Very low | 34.6 | Very low | 130 Ų | 130 | 130.2 Ų | 130.2 | 84% | 0.844 | 76% | 0.757 | S | S | * | * | | | cis | -122.1 | -151.2 | -14.1 | 40.9 | -25.7 | 0 | 0 | 0 | 111.1 | | |
| 316 | S | 33.1 | Very low | 35 | Very low | 105 Ų | 105 | 134.4 Ų | 134.4 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | | | trans | 95.6 | 106.6 | 162.6 | -152.5 | 0 | 0 | 0 | 0 | 119.1 | | |
| 317 | V | 34.9 | Very low | 35.3 | Very low | 141 Ų | 141 | 134.9 Ų | 134.9 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | | | trans | 50.2 | 109.8 | 134.6 | -172.8 | 0 | 0 | 0 | 0 | 119.8 | | |
| 318 | G | 34.8 | Very low | 35.7 | Very low | 63 Ų | 63 | 134.7 Ų | 134.7 | 65% | 0.649 | 77% | 0.765 | S | S | * | * | | | | 126.3 | 104.4 | 111.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 319 | K | 36.8 | Very low | 36.6 | Very low | 213 Ų | 213 | 132.3 Ų | 132.3 | 93% | 0.926 | 76% | 0.763 | S | S | * | * | | | trans | 66.8 | 138 | 166 | -51.7 | 172.3 | -176.8 | 175 | 0 | 113.8 | | |
| 320 | G | 34.5 | Very low | 37.4 | Very low | 66 Ų | 66 | 130.3 Ų | 130.3 | 68% | 0.68 | 77% | 0.765 | S | S | * | * | | | cis | 98 | 138.9 | 20.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 321 | T | 40.9 | Very low | 37.4 | Very low | 128 Ų | 128 | 130 Ų | 130 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | | | cis | -165.8 | 168.8 | 13.9 | -47.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 322 | K | 43.1 | Very low | 37.5 | Very low | 189 Ų | 189 | 131.8 Ų | 131.8 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | | | trans | 81.8 | 146.2 | 167.3 | -47.1 | 175.9 | -175.5 | -179.3 | 0 | 114.3 | | |
| 323 | E | 37.3 | Very low | 38 | Very low | 185 Ų | 185 | 134.8 Ų | 134.8 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | | | cis | -130.9 | 166.1 | 1.8 | -76.5 | -166 | 134.4 | 0 | 0 | 109.5 | | |
| 324 | A | 39.6 | Very low | 38.4 | Very low | 90 Ų | 90 | 131 Ų | 131 | 74% | 0.744 | 77% | 0.773 | S | S | * | * | | | cis | -158.1 | 172.6 | -22.2 | 0 | 0 | 0 | 0 | 0 | 105.4 | | |
| 325 | S | 36.8 | Very low | 38.7 | Very low | 96 Ų | 96 | 133.1 Ų | 133.1 | 67% | 0.671 | 79% | 0.785 | S | S | * | * | | | cis | -167.7 | 147.1 | 25.8 | -171.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 326 | L | 41.1 | Very low | 38.5 | Very low | 153 Ų | 153 | 132 Ų | 132 | 80% | 0.801 | 79% | 0.787 | S | S | * | * | | | trans | 52.4 | 130.8 | 155.8 | -68.1 | 166.8 | 0 | 0 | 0 | 119.3 | | |
| 327 | Q | 40.4 | Very low | 38.8 | Very low | 166 Ų | 166 | 130.9 Ų | 130.9 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | | | cis | -141.8 | 148.4 | 0.4 | -80 | 153.5 | -9.8 | 0 | 0 | 107 | | |
| 328 | E | 35.6 | Very low | 39.4 | Very low | 160 Ų | 160 | 132.1 Ų | 132.1 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | | | | 60.8 | 141.8 | 58.5 | -86.5 | -72.3 | 90.2 | 0 | 0 | 114.7 | | |
| 329 | P | 53.1 | Low | 40.3 | Very low | 106 Ų | 106 | 135.4 Ų | 135.4 | 69% | 0.688 | 80% | 0.802 | S | S | * | * | | | cis | -133.4 | -147.3 | -1.5 | 48.8 | -29.5 | 0 | 0 | 0 | 112.1 | | |
| 330 | P | 46.7 | Very low | 40.7 | Very low | 109 Ų | 109 | 128.4 Ų | 128.4 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | | | | -140.7 | 154.4 | -119.7 | 37.8 | -14 | 0 | 0 | 0 | 119.6 | | |
| 331 | G | 34.2 | Very low | 41.4 | Very low | 72 Ų | 72 | 135.7 Ų | 135.7 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | | | | 77.5 | 158.6 | 123.3 | 0 | 0 | 0 | 0 | 0 | 123.3 | | |
| 332 | K | 36.7 | Very low | 41.7 | Very low | 210 Ų | 210 | 135.1 Ų | 135.1 | 91% | 0.913 | 80% | 0.796 | S | S | * | * | | | trans | 81.7 | 140.8 | 160.2 | -61 | 178.9 | -178.9 | 174.5 | 0 | 120.3 | | |
| 333 | Q | 39.9 | Very low | 41.5 | Very low | 184 Ų | 184 | 131 Ų | 131 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | | | trans | -45.8 | 166.2 | 159.6 | -65.1 | 165.8 | -80.8 | 0 | 0 | 113.3 | | |
| 334 | P | 39.4 | Very low | 41.6 | Very low | 126 Ų | 126 | 126.3 Ų | 126.3 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | cis | -141.1 | -163.3 | 27.9 | 42.9 | -22.8 | 0 | 0 | 0 | 116.1 | | |
| 335 | A | 35.7 | Very low | 41.8 | Very low | 103 Ų | 103 | 132.6 Ų | 132.6 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | | | trans | -74.4 | 140.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 336 | A | 33.2 | Very low | 41.8 | Very low | 108 Ų | 108 | 134.4 Ų | 134.4 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | | | trans | -163.2 | 163.4 | 157.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 337 | G | 39.5 | Very low | 41.9 | Very low | 80 Ų | 80 | 132.7 Ų | 132.7 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | | | trans | 114.3 | 59.7 | 162.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 338 | L | 48.7 | Very low | 41.9 | Very low | 168 Ų | 168 | 133.4 Ų | 133.4 | 88% | 0.88 | 79% | 0.787 | S | S | * | * | | | trans | -69.1 | 146.2 | 148.5 | -73.1 | 172.9 | 0 | 0 | 0 | 108.4 | | |
| 339 | P | 52.7 | Low | 42 | Very low | 131 Ų | 131 | 133.5 Ų | 133.5 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | | | | -136.6 | 168.7 | 65.4 | 34.1 | -15.3 | 0 | 0 | 0 | 115.6 | | |
| 340 | G | 45.5 | Very low | 41.3 | Very low | 67 Ų | 67 | 137.1 Ų | 137.1 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | | | cis | -169.1 | 174.2 | 4.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 341 | R | 49.7 | Very low | 40.6 | Very low | 218 Ų | 218 | 135.7 Ų | 135.7 | 82% | 0.823 | 79% | 0.794 | S | S | * | * | | | trans | -62.6 | 179.2 | 173.7 | -58.8 | 166.9 | 79.8 | -142.3 | 11.9 | 111.9 | | |
| 342 | P | 46.3 | Very low | 40.7 | Very low | 116 Ų | 116 | 144 Ų | 144 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | | | cis | -124.6 | 153.6 | -0.6 | 15 | 11.3 | 0 | 0 | 0 | 114.3 | | |
| 343 | V | 39.1 | Very low | 41 | Very low | 103 Ų | 103 | 140.1 Ų | 140.1 | 62% | 0.624 | 80% | 0.797 | S | S | * | * | | | | 84.2 | 94.4 | 56.1 | 177.7 | 0 | 0 | 0 | 0 | 115.6 | | |
| 344 | S | 39.5 | Very low | 40.8 | Very low | 87 Ų | 87 | 136.2 Ų | 136.2 | 61% | 0.608 | 80% | 0.796 | S | S | * | * | | | trans | 78.6 | 169.4 | 135.3 | 80.7 | 0 | 0 | 0 | 0 | 122.8 | | |
| 345 | R | 43.2 | Very low | 40.9 | Very low | 221 Ų | 221 | 135 Ų | 135 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | | | trans | 94.2 | 113.6 | 164.1 | -65.9 | 152.2 | -169 | -133.2 | -4 | 114.9 | | |
| 346 | V | 37 | Very low | 40.8 | Very low | 135 Ų | 135 | 138.5 Ų | 138.5 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | | 83.3 | 128.1 | 57 | 170.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 347 | P | 43.8 | Very low | 41 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | | | trans | -89 | 162 | -152.1 | 35.7 | -38 | 0 | 0 | 0 | 114 | | |
| 348 | Q | 41 | Very low | 40.9 | Very low | 181 Ų | 181 | 144.4 Ų | 144.4 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | | | trans | -138.2 | 137.6 | 159.6 | -73.5 | -155.7 | -1.2 | 0 | 0 | 113.4 | | |
| 349 | L | 37.6 | Very low | 40.1 | Very low | 162 Ų | 162 | 143 Ų | 143 | 85% | 0.848 | 77% | 0.767 | S | S | * | * | | | trans | -77.9 | 135 | 166.8 | -65.3 | 159.8 | 0 | 0 | 0 | 110.4 | | |
| 350 | K | 37.5 | Very low | 39.4 | Very low | 182 Ų | 182 | 140 Ų | 140 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | | | trans | -149.3 | 110.6 | 151.6 | -121.6 | 67 | 167.3 | -171.5 | 0 | 105.7 | | |
| 351 | A | 33.3 | Very low | 39.1 | Very low | 79 Ų | 79 | 143.4 Ų | 143.4 | 65% | 0.653 | 76% | 0.763 | S | S | * | * | | | cis | 72.5 | 129.8 | 35.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 352 | R | 34.8 | Very low | 38.9 | Very low | 246 Ų | 246 | 138.8 Ų | 138.8 | 93% | 0.928 | 76% | 0.755 | S | S | * | * | | | trans | 87.3 | 139.5 | -159.5 | -64.2 | -179.6 | 166.1 | 177.9 | -5.3 | 113.4 | | |
| 353 | V | 43.9 | Very low | 38.6 | Very low | 128 Ų | 128 | 139.6 Ų | 139.6 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | | | cis | -118.6 | 138.7 | 0.9 | 179.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 354 | A | 35.2 | Very low | 38.9 | Very low | 102 Ų | 102 | 142.3 Ų | 142.3 | 84% | 0.843 | 75% | 0.752 | S | S | * | * | | | trans | -116.7 | 107.1 | 160.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 355 | S | 40.9 | Very low | 39 | Very low | 102 Ų | 102 | 147.6 Ų | 147.6 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | | | trans | -153.3 | 130.1 | 159.7 | -76 | 0 | 0 | 0 | 0 | 105 | | |
| 356 | K | 35.4 | Very low | 38.8 | Very low | 176 Ų | 176 | 140.9 Ų | 140.9 | 77% | 0.765 | 76% | 0.756 | S | S | * | * | | | cis | 76 | 138.2 | 39.3 | -164.8 | 170.5 | 179.5 | 171.2 | 0 | 112.7 | | |
| 357 | D | 36.6 | Very low | 39.1 | Very low | 108 Ų | 108 | 143.9 Ų | 143.9 | 58% | 0.578 | 76% | 0.758 | S | S | * | * | | | trans | 71.8 | 145.1 | -178.5 | -55 | -55 | 0 | 0 | 0 | 114.6 | | |
| 358 | R | 36.6 | Very low | 39 | Very low | 204 Ų | 204 | 144.5 Ų | 144.5 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | | | cis | -158 | 138.8 | -13.2 | -116.2 | 165.1 | -151.7 | -125 | 1.8 | 111.8 | | |
| 359 | T | 32.5 | Very low | 39.1 | Very low | 137 Ų | 137 | 140.3 Ų | 140.3 | 84% | 0.84 | 75% | 0.75 | S | S | * | * | | | | 45.2 | 127 | 124.4 | -54.5 | 0 | 0 | 0 | 0 | 122.1 | | |
| 360 | G | 38.4 | Very low | 39.5 | Very low | 70 Ų | 70 | 138.3 Ų | 138.3 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | | | trans | 119.7 | 145 | 149 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 361 | N | 39.6 | Very low | 40.3 | Very low | 138 Ų | 138 | 135.3 Ų | 135.3 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | | | cis | -159 | 159.4 | -16.9 | -160.9 | 29.2 | 0 | 0 | 0 | 112.6 | | |
| 362 | D | 45.2 | Very low | 40.7 | Very low | 120 Ų | 120 | 136.3 Ų | 136.3 | 64% | 0.642 | 75% | 0.746 | S | S | * | * | | | trans | 46.8 | 124.6 | 154.2 | -79.1 | -29.5 | 0 | 0 | 0 | 124.2 | | |
| 363 | E | 40.4 | Very low | 40.9 | Very low | 134 Ų | 134 | 130.3 Ų | 130.3 | 63% | 0.626 | 74% | 0.741 | S | S | * | * | | | | 69.4 | 130.1 | 127.5 | -62.8 | -141.3 | 109.7 | 0 | 0 | 125.1 | | |
| 364 | K | 44.4 | Very low | 41 | Very low | 159 Ų | 159 | 127.6 Ų | 127.6 | 69% | 0.691 | 73% | 0.732 | S | S | * | * | | | trans | 68.7 | 99.7 | 135.7 | -70.5 | 168.2 | 179.1 | 144.9 | 0 | 120.7 | | |
| 365 | K | 41.9 | Very low | 41.4 | Very low | 198 Ų | 198 | 132.1 Ų | 132.1 | 86% | 0.861 | 73% | 0.733 | S | S | * | * | | | | 80 | 111 | 111.7 | -169.6 | -177.4 | 178.9 | -175 | 0 | 119.6 | | |
| 366 | A | 39.6 | Very low | 41.2 | Very low | 80 Ų | 80 | 131.6 Ų | 131.6 | 66% | 0.661 | 73% | 0.734 | S | S | * | * | | | trans | 81.9 | 122.6 | 146 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 367 | K | 43.3 | Very low | 42.2 | Very low | 199 Ų | 199 | 129 Ų | 129 | 87% | 0.865 | 74% | 0.735 | S | S | * | * | | | trans | 40.5 | 130.7 | 132.3 | -55 | -179.4 | 179.1 | -175 | 0 | 119.7 | | |
| 368 | T | 40.6 | Very low | 42.7 | Very low | 130 Ų | 130 | 129.4 Ų | 129.4 | 80% | 0.798 | 75% | 0.747 | S | S | * | * | | | | 176.3 | 139 | 109.1 | -76 | 0 | 0 | 0 | 0 | 114.8 | | |
| 369 | S | 44.4 | Very low | 43.1 | Very low | 93 Ų | 93 | 127.8 Ų | 127.8 | 65% | 0.65 | 75% | 0.748 | S | S | * | * | | | trans | 19.5 | 133.8 | 163.8 | 68.7 | 0 | 0 | 0 | 0 | 126.4 | | |
| 370 | T | 44.5 | Very low | 43.8 | Very low | 120 Ų | 120 | 131 Ų | 131 | 74% | 0.736 | 74% | 0.744 | S | S | * | * | | | | 12.2 | 149.9 | 113.8 | 9.1 | 0 | 0 | 0 | 0 | 121.1 | | |
| 371 | P | 55.2 | Low | 44.3 | Very low | 119 Ų | 119 | 132 Ų | 132 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | | | | -139.5 | 170 | 75.9 | 40.6 | -24.8 | 0 | 0 | 0 | 114.4 | | |
| 372 | S | 41.1 | Very low | 44.2 | Very low | 100 Ų | 100 | 129.9 Ų | 129.9 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | | | cis | 80.4 | 144.8 | 25.3 | -137.1 | 0 | 0 | 0 | 0 | 114.5 | | |
| 373 | C | 38.3 | Very low | 44.2 | Very low | 120 Ų | 120 | 128.5 Ų | 128.5 | 81% | 0.811 | 73% | 0.725 | S | S | * | * | | | cis | -161.6 | -171.1 | 2.9 | -141.6 | 0 | 0 | 0 | 0 | 108.3 | | |
| 374 | A | 46.2 | Very low | 44.1 | Very low | 71 Ų | 71 | 126.2 Ų | 126.2 | 59% | 0.587 | 72% | 0.724 | S | S | * | * | | | cis | -169.3 | -176.4 | 2.4 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 375 | K | 44 | Very low | 44.3 | Very low | 197 Ų | 197 | 122 Ų | 122 | 86% | 0.857 | 71% | 0.713 | S | S | * | * | | | trans | 79.5 | 137.2 | 152.6 | -68.2 | 165.6 | -175.9 | 179.7 | 0 | 119.8 | | |
| 376 | A | 36.8 | Very low | 44.1 | Very low | 90 Ų | 90 | 118 Ų | 118 | 74% | 0.744 | 71% | 0.705 | S | S | * | * | | | cis | 75.7 | 164.6 | 5.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 377 | P | 56 | Low | 44.3 | Very low | 121 Ų | 121 | 121.8 Ų | 121.8 | 79% | 0.786 | 70% | 0.702 | S | S | * | * | | | cis | -138.7 | 177.5 | -5.4 | 42.7 | -25.6 | 0 | 0 | 0 | 116.8 | | |
| 378 | S | 48 | Very low | 44.4 | Very low | 118 Ų | 118 | 117.1 Ų | 117.1 | 83% | 0.825 | 69% | 0.692 | S | S | * | * | | | trans | -172.6 | 153.7 | 157.2 | -84.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 379 | H | 44.7 | Very low | 44.5 | Very low | 170 Ų | 170 | 113.9 Ų | 113.9 | 79% | 0.787 | 67% | 0.672 | S | S | * | * | | | cis | -141 | -140.9 | -17.5 | -166.3 | -112.7 | 0 | 0 | 0 | 110.9 | | |
| 380 | R | 47.9 | Very low | 44.4 | Very low | 205 Ų | 205 | 116.3 Ų | 116.3 | 77% | 0.774 | 68% | 0.678 | S | S | * | * | | | trans | -168.8 | 168.4 | -157.8 | -106.4 | -158.6 | 154.4 | -140.5 | -4.8 | 112.9 | | |
| 381 | P | 48.7 | Very low | 44.2 | Very low | 89 Ų | 89 | 113.6 Ų | 113.6 | 58% | 0.578 | 67% | 0.673 | S | S | * | * | | | | -152.3 | -160.5 | -58.7 | 41.3 | -18.5 | 0 | 0 | 0 | 115.5 | | |
| 382 | C | 38.1 | Very low | 43.6 | Very low | 95 Ų | 95 | 113.4 Ų | 113.4 | 64% | 0.642 | 68% | 0.675 | S | S | * | * | | | trans | 95.4 | 140.3 | 150 | -78.1 | 0 | 0 | 0 | 0 | 118.9 | | |
| 383 | L | 43.3 | Very low | 43.8 | Very low | 90 Ų | 90 | 113.4 Ų | 113.4 | 47% | 0.471 | 68% | 0.675 | S | S | . | * | | | cis | -105.3 | -35.7 | 6.6 | -74.4 | 166.4 | 0 | 0 | 0 | 115 | E62 | E62-L383 HydrophobicContact CB-CB 3.77Å; E62-L383 HydrophobicContact CB-CD1 4.34Å; E62-L383 VanDerWaalsContact O-CD1 3.27Å; E62-L383 WeakPolarHBondContact O-CD1 3.27Å; E62-L383 VanDerWaalsContact OE2-CA 3.31Å; E62-L383 WeakPolarHBondContact OE2-CA 3.35Å; E62-L383 WeakPolarHBondContact OE2-CB 3.35Å; E62-L383 PolarHBondContact OE2-N 2.9Å |
| 384 | S | 39.7 | Very low | 43.9 | Very low | 87 Ų | 87 | 115.1 Ų | 115.1 | 61% | 0.608 | 68% | 0.676 | S | S | * | * | | | trans | 60.2 | 88.9 | 174.3 | 56.6 | 0 | 0 | 0 | 0 | 118 | E62 V64 | E62-S384 WeakPolarHBondContact OE1-CA 3.48Å; E62-S384 PolarHBondContact OE1-N 3.09Å; E62-S384 PolarHBondContact OE2-N 2.99Å; V64-S384 WeakPolarHBondContact CG2-O 3.05Å |
| 385 | P | 47.1 | Very low | 43.8 | Very low | 71 Ų | 71 | 116.9 Ų | 116.9 | 46% | 0.461 | 68% | 0.681 | S | S | . | * | | | trans | -78.5 | 167 | 168.9 | 33.4 | -34.1 | 0 | 0 | 0 | 112.5 | E62 | E62-P385 VanDerWaalsContact CD-CD 3.47Å; E62-P385 HydrophobicContact CG-CG 4.14Å; E62-P385 WeakPolarHBondContact OE1-CD 3.31Å |
| 386 | T | 39.3 | Very low | 43.5 | Very low | 114 Ų | 114 | 115 Ų | 115 | 70% | 0.699 | 68% | 0.68 | S | S | * | * | | | cis | -157.7 | -169.2 | -20.4 | -173.4 | 0 | 0 | 0 | 0 | 108.1 | | |
| 387 | R | 44 | Very low | 43.7 | Very low | 158 Ų | 158 | 118.5 Ų | 118.5 | 60% | 0.596 | 68% | 0.684 | S | S | * | * | | | trans | -163.2 | 158.3 | -170.6 | -120.2 | -179.3 | 164.6 | -143.3 | 7.5 | 113.7 | T389 | R387-T389 WeakPolarHBondContact CD-OG1 3.1Å; R387-T389 VanDerWaalsContact NH1-CG2 3.34Å; R387-T389 PolarHBondContact NH1-OG1 3.37Å |
| 388 | P | 45 | Very low | 43 | Very low | 101 Ų | 101 | 122 Ų | 122 | 66% | 0.656 | 69% | 0.687 | S | S | * | * | | | | -144.1 | 176.8 | 65.7 | 37.4 | -18.2 | 0 | 0 | 0 | 117 | P67 | P67-P388 HydrophobicContact CB-CB 4.08Å; P67-P388 HydrophobicContact CB-CG 4.29Å; P67-P388 HydrophobicContact CG-CB 3.83Å |
| 389 | T | 42.2 | Very low | 42.9 | Very low | 62 Ų | 62 | 122.1 Ų | 122.1 | 38% | 0.38 | 69% | 0.685 | S | S | . | * | | | cis | -175.8 | 123.4 | -34 | -86 | 0 | 0 | 0 | 0 | 110.6 | R387 | R387-T389 WeakPolarHBondContact CD-OG1 3.1Å; R387-T389 VanDerWaalsContact NH1-CG2 3.34Å; R387-T389 PolarHBondContact NH1-OG1 3.37Å |
| 390 | L | 43.4 | Very low | 42.8 | Very low | 145 Ų | 145 | 119.4 Ų | 119.4 | 76% | 0.759 | 69% | 0.685 | S | S | * | * | | | trans | 59.2 | 154.4 | 159.7 | -68.5 | 164.7 | 0 | 0 | 0 | 119.8 | | |
| 391 | G | 38.4 | Very low | 42.6 | Very low | 63 Ų | 63 | 114.6 Ų | 114.6 | 65% | 0.649 | 68% | 0.683 | S | S | * | * | | | cis | 138.7 | 163.5 | -13.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 392 | S | 43.4 | Very low | 42.7 | Very low | 115 Ų | 115 | 116.4 Ų | 116.4 | 80% | 0.804 | 70% | 0.695 | S | S | * | * | | | trans | 74.4 | 148.8 | 174.1 | -141.4 | 0 | 0 | 0 | 0 | 115.4 | | |
| 393 | S | 45.6 | Very low | 42.8 | Very low | 100 Ų | 100 | 115.9 Ų | 115.9 | 70% | 0.699 | 70% | 0.697 | S | S | * | * | | | cis | -144.3 | 131.5 | 7.8 | -38.9 | 0 | 0 | 0 | 0 | 108.6 | | |
| 394 | D | 40.9 | Very low | 42.8 | Very low | 156 Ų | 156 | 118.1 Ų | 118.1 | 83% | 0.834 | 71% | 0.714 | S | S | * | * | | | | 91.8 | 138.8 | 87.1 | -158.9 | 48.7 | 0 | 0 | 0 | 112.3 | | |
| 395 | P | 42.7 | Very low | 42.6 | Very low | 107 Ų | 107 | 119 Ų | 119 | 70% | 0.695 | 72% | 0.72 | S | S | * | * | | | trans | -106.5 | -177.7 | -157.1 | 41.7 | -36.4 | 0 | 0 | 0 | 115.2 | | |
| 396 | L | 37.6 | Very low | 42.8 | Very low | 158 Ų | 158 | 121 Ų | 121 | 83% | 0.827 | 73% | 0.734 | S | S | * | * | | | trans | 71.6 | 108.9 | 156.4 | -163.7 | 82.8 | 0 | 0 | 0 | 117 | | |
| 397 | I | 42.6 | Very low | 43.1 | Very low | 164 Ų | 164 | 124.3 Ų | 124.3 | 84% | 0.841 | 74% | 0.741 | S | S | * | * | | | trans | 175.1 | 140.8 | 130.9 | -91.8 | 154.9 | 0 | 0 | 0 | 110.8 | | |
| 398 | K | 39.7 | Very low | 43.1 | Very low | 195 Ų | 195 | 122.1 Ų | 122.1 | 85% | 0.848 | 75% | 0.747 | S | S | * | * | | | trans | -84.7 | 176.8 | 174 | -55.2 | 178.8 | 178.7 | 178.6 | 0 | 110 | | |
| 399 | P | 47.6 | Very low | 42.8 | Very low | 120 Ų | 120 | 122 Ų | 122 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | | | cis | -139.8 | -178.1 | 4 | 44.4 | -27.3 | 0 | 0 | 0 | 115.3 | | |
| 400 | S | 40.9 | Very low | 43 | Very low | 113 Ų | 113 | 125.4 Ų | 125.4 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | | | | -178.5 | 143.9 | 109.4 | -166.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 401 | S | 45.5 | Very low | 43.1 | Very low | 104 Ų | 104 | 123.7 Ų | 123.7 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | | | trans | -104.1 | -156.8 | 169.7 | -28.3 | 0 | 0 | 0 | 0 | 108.7 | | |
| 402 | P | 49 | Very low | 43.7 | Very low | 127 Ų | 127 | 125.7 Ų | 125.7 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | | | cis | -94.5 | -166.9 | -7.5 | 43.4 | -35.3 | 0 | 0 | 0 | 110.8 | | |
| 403 | A | 40.9 | Very low | 43.6 | Very low | 84 Ų | 84 | 129.3 Ų | 129.3 | 69% | 0.694 | 78% | 0.779 | S | S | * | * | | | cis | -146 | -175.8 | 7.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 404 | V | 43 | Very low | 43.3 | Very low | 136 Ų | 136 | 132.6 Ų | 132.6 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | | | cis | -133.8 | -157.8 | 8.4 | -158.6 | 0 | 0 | 0 | 0 | 108.2 | | |
| 405 | S | 36.3 | Very low | 43.3 | Very low | 105 Ų | 105 | 130 Ų | 130 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | | | trans | -162 | -175.8 | 177.6 | -41.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 406 | P | 51.3 | Low | 43.1 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | | | cis | -136.4 | 175.7 | -9.3 | 40.9 | -24 | 0 | 0 | 0 | 114.9 | | |
| 407 | E | 44.4 | Very low | 43.3 | Very low | 183 Ų | 183 | 127.9 Ų | 127.9 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | | | | -179.9 | 158.4 | 122.3 | -88.9 | -106.9 | 8.1 | 0 | 0 | 110.6 | | |
| 408 | P | 44.3 | Very low | 43.3 | Very low | 111 Ų | 111 | 126.5 Ų | 126.5 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | | | trans | -122 | 172.2 | -153.4 | 42.1 | -30.4 | 0 | 0 | 0 | 116.9 | | |
| 409 | A | 39.8 | Very low | 43.5 | Very low | 100 Ų | 100 | 123.2 Ų | 123.2 | 83% | 0.826 | 77% | 0.768 | S | S | * | * | | | trans | -116.8 | 145.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 410 | T | 45 | Very low | 43.4 | Very low | 133 Ų | 133 | 122.7 Ų | 122.7 | 82% | 0.816 | 77% | 0.765 | S | S | * | * | | | trans | -153.6 | 156.9 | 170.9 | 60.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 411 | S | 46.1 | Very low | 43.5 | Very low | 109 Ų | 109 | 127.8 Ų | 127.8 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | | | cis | -161.3 | 169.2 | -17.7 | -99 | 0 | 0 | 0 | 0 | 109.5 | | |
| 412 | P | 51.1 | Low | 43.2 | Very low | 104 Ų | 104 | 130.4 Ų | 130.4 | 68% | 0.675 | 77% | 0.773 | S | S | * | * | | | trans | -129 | -175.8 | -150.8 | 44.9 | -33 | 0 | 0 | 0 | 117.9 | | |
| 413 | K | 40.6 | Very low | 42.6 | Very low | 192 Ų | 192 | 128.5 Ų | 128.5 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | | | trans | 85 | 114.8 | 144.6 | -85.5 | 171.2 | -174.7 | 178.7 | 0 | 122.6 | | |
| 414 | H | 39.3 | Very low | 42.7 | Very low | 169 Ų | 169 | 130.2 Ų | 130.2 | 78% | 0.782 | 78% | 0.783 | S | S | * | * | | | | 104 | 139.7 | 113.2 | -150 | -130.8 | 0 | 0 | 0 | 122.6 | | |
| 415 | V | 41.9 | Very low | 43.3 | Very low | 100 Ų | 100 | 129.6 Ų | 129.6 | 61% | 0.606 | 78% | 0.782 | S | S | * | * | | | trans | 63 | 108.1 | 156.8 | -73.3 | 0 | 0 | 0 | 0 | 125.8 | | |
| 416 | S | 39.5 | Very low | 43.4 | Very low | 114 Ų | 114 | 127.9 Ų | 127.9 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | | | | 67 | 137.9 | 110.2 | -52.3 | 0 | 0 | 0 | 0 | 125.3 | | |
| 417 | S | 40 | Very low | 43.1 | Very low | 107 Ų | 107 | 128.4 Ų | 128.4 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | | | | 116.4 | 98.2 | 129.8 | -165.9 | 0 | 0 | 0 | 0 | 120.4 | | |
| 418 | V | 43 | Very low | 43 | Very low | 135 Ų | 135 | 129.1 Ų | 129.1 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | 78.5 | 143.6 | 139.6 | 179.4 | 0 | 0 | 0 | 0 | 120.4 | | |
| 419 | T | 44.1 | Very low | 42.9 | Very low | 126 Ų | 126 | 130.9 Ų | 130.9 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | | | trans | -74.9 | 176.1 | -179.5 | 22 | 0 | 0 | 0 | 0 | 113.8 | | |
| 420 | P | 46.7 | Very low | 43.2 | Very low | 109 Ų | 109 | 134.1 Ų | 134.1 | 71% | 0.708 | 78% | 0.781 | S | S | * | * | | | cis | -150.4 | 170.9 | 30.5 | 44 | -22.8 | 0 | 0 | 0 | 121.2 | | |
| 421 | R | 41.9 | Very low | 43 | Very low | 221 Ų | 221 | 134.7 Ų | 134.7 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | | | trans | 57.6 | 128.4 | 142 | -77.7 | 178.4 | 175.8 | 169.4 | -0.6 | 124.1 | | |
| 422 | N | 38.6 | Very low | 43.1 | Very low | 159 Ų | 159 | 137.1 Ų | 137.1 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | | | trans | 72.3 | 129.8 | 138.4 | -66.2 | 25.1 | 0 | 0 | 0 | 122 | | |
| 423 | G | 38 | Very low | 42.7 | Very low | 87 Ų | 87 | 139.6 Ų | 139.6 | 90% | 0.897 | 78% | 0.776 | S | S | * | * | | | trans | 174.8 | 112.1 | 164.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 424 | S | 42.6 | Very low | 42.7 | Very low | 119 Ų | 119 | 133.8 Ų | 133.8 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | | | trans | -126.3 | -174 | -178 | -132.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 425 | P | 54.9 | Low | 42.9 | Very low | 124 Ų | 124 | 130 Ų | 130 | 81% | 0.805 | 77% | 0.768 | S | S | * | * | | | cis | -134.7 | -167.7 | -27.6 | 37.8 | -18.6 | 0 | 0 | 0 | 113.5 | | |
| 426 | G | 38.4 | Very low | 42.9 | Very low | 69 Ų | 69 | 131.6 Ų | 131.6 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | | | trans | -173.5 | 144.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 427 | T | 45.8 | Very low | 43.1 | Very low | 125 Ų | 125 | 129.9 Ų | 129.9 | 77% | 0.767 | 77% | 0.773 | S | S | * | * | | | trans | -158.6 | 167.7 | -163.6 | 52.6 | 0 | 0 | 0 | 0 | 118.5 | | |
| 428 | K | 41.8 | Very low | 43.3 | Very low | 198 Ų | 198 | 134.1 Ų | 134.1 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | | | trans | 104 | 169.5 | 152.3 | -58.6 | 170 | -172.1 | 178 | 0 | 120.2 | | |
| 429 | Q | 41.2 | Very low | 42.8 | Very low | 148 Ų | 148 | 134 Ų | 134 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | | | | -176.5 | -178.5 | -64.1 | -148.8 | -148.2 | 104.9 | 0 | 0 | 112.2 | | |
| 430 | M | 46.4 | Very low | 42.6 | Very low | 168 Ų | 168 | 131.8 Ų | 131.8 | 83% | 0.828 | 78% | 0.781 | S | S | * | * | | | trans | 96.1 | 155.9 | 156.5 | -68.5 | 175.4 | 58.2 | 0 | 0 | 122.1 | | |
| 431 | K | 41.9 | Very low | 42.1 | Very low | 146 Ų | 146 | 130.9 Ų | 130.9 | 64% | 0.635 | 78% | 0.782 | S | S | * | * | | | cis | -172.5 | 100.2 | -36.5 | -155.2 | 70.7 | 166 | -171.2 | 0 | 117.9 | | |
| 432 | L | 48.2 | Very low | 41.9 | Very low | 159 Ų | 159 | 129.5 Ų | 129.5 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | | | trans | 62.9 | -176.2 | 148.7 | -51.9 | 175.8 | 0 | 0 | 0 | 120.4 | | |
| 433 | K | 41.8 | Very low | 41.9 | Very low | 157 Ų | 157 | 129.6 Ų | 129.6 | 68% | 0.683 | 78% | 0.781 | S | S | * | * | | | cis | -140.6 | 166.7 | -6.7 | 168.2 | 167.7 | 175.5 | 173.2 | 0 | 107.2 | D436 | K433-D436 IonicContact NZ-OD1 2.79Å; K433-D436 PolarHBondContact NZ-OD1 3.12Å; K433-D436 IonicContact NZ-OD2 3.72Å; K433-D436 PolarHBondContact NZ-OD2 3.07Å |
| 434 | G | 41.9 | Very low | 41.8 | Very low | 70 Ų | 70 | 129.1 Ų | 129.1 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | | | cis | -172.2 | -139 | 16.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 435 | A | 42.6 | Very low | 41.7 | Very low | 88 Ų | 88 | 129.6 Ų | 129.6 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | | | cis | -157.4 | -156.7 | 8.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 436 | D | 41.8 | Very low | 41.3 | Very low | 134 Ų | 134 | 128.8 Ų | 128.8 | 72% | 0.717 | 76% | 0.762 | S | S | * | * | | | trans | -147.5 | 155 | -151.1 | -2.7 | -112.8 | 0 | 0 | 0 | 113.2 | K433 | K433-D436 IonicContact NZ-OD1 2.79Å; K433-D436 PolarHBondContact NZ-OD1 3.12Å; K433-D436 IonicContact NZ-OD2 3.72Å; K433-D436 PolarHBondContact NZ-OD2 3.07Å |
| 437 | G | 44.3 | Very low | 41.3 | Very low | 78 Ų | 78 | 137.4 Ų | 137.4 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | | | cis | 167 | 170.3 | -10.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 438 | K | 43.4 | Very low | 41 | Very low | 197 Ų | 197 | 134.5 Ų | 134.5 | 86% | 0.857 | 77% | 0.768 | S | S | * | * | | | trans | 104.6 | 116 | 151.9 | -140.3 | -177.4 | -178.4 | 174.6 | 0 | 125.3 | | |
| 439 | T | 33.3 | Very low | 40.9 | Very low | 131 Ų | 131 | 130 Ų | 130 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | | | trans | 43.5 | 137.1 | 147.7 | 61.9 | 0 | 0 | 0 | 0 | 126.7 | | |
| 440 | G | 38.8 | Very low | 40.9 | Very low | 81 Ų | 81 | 127.1 Ų | 127.1 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | | | trans | -169.2 | 167.7 | 159.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 441 | A | 35.9 | Very low | 40.8 | Very low | 89 Ų | 89 | 124.2 Ų | 124.2 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | | | trans | -146.5 | 153.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 442 | K | 37.5 | Very low | 40.8 | Very low | 192 Ų | 192 | 122.7 Ų | 122.7 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | | | trans | 51.2 | 129 | 155.1 | 69.1 | -164.5 | 170.8 | -173.3 | 0 | 120.5 | | |
| 443 | I | 39.3 | Very low | 40.3 | Very low | 162 Ų | 162 | 119 Ų | 119 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | | | trans | 162.9 | 139.9 | 137.5 | -85.8 | 155.1 | 0 | 0 | 0 | 113.5 | | |
| 444 | A | 36.6 | Very low | 40.4 | Very low | 77 Ų | 77 | 120.5 Ų | 120.5 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | | | trans | 50.1 | 123.5 | 156.4 | 0 | 0 | 0 | 0 | 0 | 125.3 | | |
| 445 | T | 39.9 | Very low | 39.9 | Very low | 128 Ų | 128 | 126.8 Ų | 126.8 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | | 31.2 | 140.6 | 100.7 | -22 | 0 | 0 | 0 | 0 | 118 | | |
| 446 | P | 47.2 | Very low | 39.5 | Very low | 108 Ų | 108 | 125.5 Ų | 125.5 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | | | cis | -158.2 | 174.7 | 45 | 45.2 | -24.1 | 0 | 0 | 0 | 121.8 | | |
| 447 | R | 38.6 | Very low | 39.4 | Very low | 249 Ų | 249 | 125.4 Ų | 125.4 | 94% | 0.94 | 78% | 0.779 | S | S | * | * | | | trans | 63.3 | 156.3 | 151.4 | -87 | 176.1 | 157.1 | 130.3 | -6.5 | 119.1 | | |
| 448 | G | 38.7 | Very low | 39.2 | Very low | 64 Ų | 64 | 126.6 Ų | 126.6 | 66% | 0.66 | 78% | 0.775 | S | S | * | * | | | cis | -140.3 | 154.8 | -2.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 449 | A | 40.3 | Very low | 38.7 | Very low | 105 Ų | 105 | 124.7 Ų | 124.7 | 87% | 0.868 | 78% | 0.775 | S | S | * | * | | | | 74 | 132.1 | 84.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 450 | A | 40.1 | Very low | 39 | Very low | 86 Ų | 86 | 123 Ų | 123 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | | | cis | -149.6 | 139 | 6.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 451 | S | 44.1 | Very low | 39 | Very low | 108 Ų | 108 | 125.4 Ų | 125.4 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | | | | 69.3 | 149 | 77.4 | 97.8 | 0 | 0 | 0 | 0 | 115.5 | | |
| 452 | P | 43.4 | Very low | 39.4 | Very low | 113 Ų | 113 | 132.5 Ų | 132.5 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | | | cis | -141.8 | -168.2 | -26.9 | 39.3 | -19.8 | 0 | 0 | 0 | 114.2 | | |
| 453 | A | 36.2 | Very low | 39.7 | Very low | 82 Ų | 82 | 131.1 Ų | 131.1 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | | | trans | 74.1 | 155.9 | 154.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 454 | Q | 45.3 | Very low | 40 | Very low | 188 Ų | 188 | 129 Ų | 129 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | | | cis | -148.3 | 170.5 | -4.8 | -140.5 | 163.2 | -80.7 | 0 | 0 | 113.5 | | |
| 455 | K | 31 | Very low | 40 | Very low | 203 Ų | 203 | 129.3 Ų | 129.3 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | | | trans | -82.3 | 160.1 | 179.3 | -54.7 | 171.6 | 179.7 | 175.9 | 0 | 113.6 | | |
| 456 | G | 34.1 | Very low | 39.8 | Very low | 61 Ų | 61 | 132.5 Ų | 132.5 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | | | trans | 133.4 | 113 | 150.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 457 | T | 40.1 | Very low | 39.6 | Very low | 132 Ų | 132 | 132.6 Ų | 132.6 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | | | cis | 85.4 | 143.1 | 49.2 | 64.8 | 0 | 0 | 0 | 0 | 115.6 | | |
| 458 | S | 39.2 | Very low | 39.9 | Very low | 103 Ų | 103 | 126.8 Ų | 126.8 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | | | trans | 65.6 | 161.5 | 167.5 | 38.8 | 0 | 0 | 0 | 0 | 118.5 | | |
| 459 | N | 32.9 | Very low | 40.1 | Very low | 157 Ų | 157 | 129.5 Ų | 129.5 | 84% | 0.84 | 78% | 0.779 | S | S | * | * | | | cis | 172.3 | 119.6 | -37.6 | -97.3 | -14.3 | 0 | 0 | 0 | 108 | | |
| 460 | A | 40.6 | Very low | 40 | Very low | 94 Ų | 94 | 129.6 Ų | 129.6 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | | | trans | -176.4 | 132 | 156 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 461 | T | 37.9 | Very low | 40.1 | Very low | 132 Ų | 132 | 130.8 Ų | 130.8 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | | | cis | 80.8 | 101.5 | 25.3 | -48 | 0 | 0 | 0 | 0 | 115.2 | | |
| 462 | R | 44.5 | Very low | 39.8 | Very low | 239 Ų | 239 | 134.8 Ų | 134.8 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | | | trans | -163.3 | 135.5 | 143.1 | -111.7 | 167.3 | -167 | -85.8 | -1.4 | 112.8 | | |
| 463 | I | 44 | Very low | 39.6 | Very low | 162 Ų | 162 | 135.5 Ų | 135.5 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | | | trans | -124.9 | 135.6 | 169.1 | -53.4 | 170.9 | 0 | 0 | 0 | 106.8 | | |
| 464 | P | 45.3 | Very low | 39.9 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | | | trans | -140 | 144.4 | 130.9 | 35.4 | -22.3 | 0 | 0 | 0 | 111.8 | | |
| 465 | A | 36.3 | Very low | 40 | Very low | 82 Ų | 82 | 134.3 Ų | 134.3 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | | | cis | 101.9 | 126.6 | 20.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 466 | K | 36.8 | Very low | 40.4 | Very low | 195 Ų | 195 | 128.3 Ų | 128.3 | 85% | 0.848 | 78% | 0.778 | S | S | * | * | | | trans | 77.6 | 160.8 | 169.7 | -53.9 | -178.2 | 178 | 178.7 | 0 | 115.6 | | |
| 467 | T | 42.6 | Very low | 40.6 | Very low | 111 Ų | 111 | 131.5 Ų | 131.5 | 68% | 0.681 | 79% | 0.79 | S | S | * | * | | | cis | -159.3 | 135.3 | 21.9 | -21.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 468 | T | 43.9 | Very low | 40.6 | Very low | 126 Ų | 126 | 128.6 Ų | 128.6 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | | | trans | 49.8 | 167.4 | 140.8 | 53.1 | 0 | 0 | 0 | 0 | 123.8 | | |
| 469 | P | 43.2 | Very low | 40.9 | Very low | 121 Ų | 121 | 132.3 Ų | 132.3 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | | | cis | -131.9 | -176.4 | -23.3 | 30 | -7.9 | 0 | 0 | 0 | 114.9 | | |
| 470 | S | 39.2 | Very low | 41.6 | Very low | 108 Ų | 108 | 129.7 Ų | 129.7 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | | | trans | -83.9 | 165.8 | 173.2 | 61.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 471 | P | 41.8 | Very low | 41.9 | Very low | 111 Ų | 111 | 130 Ų | 130 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | | | | -156.6 | 159.5 | 56.3 | 41.9 | -19.2 | 0 | 0 | 0 | 122 | | |
| 472 | K | 38.2 | Very low | 42 | Very low | 191 Ų | 191 | 133 Ų | 133 | 83% | 0.83 | 78% | 0.78 | S | S | * | * | | | trans | 53.2 | 111.3 | 142.8 | -65 | 177.4 | 179.6 | 179.2 | 0 | 124.3 | | |
| 473 | T | 38.3 | Very low | 42 | Very low | 129 Ų | 129 | 127.3 Ų | 127.3 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | | | | 29.3 | 143.8 | 115.6 | -12.2 | 0 | 0 | 0 | 0 | 120 | | |
| 474 | P | 43.4 | Very low | 41.8 | Very low | 116 Ų | 116 | 122.5 Ų | 122.5 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | | | cis | -150.7 | -151.7 | 47.6 | 38.5 | -11.7 | 0 | 0 | 0 | 116.5 | | |
| 475 | P | 46.3 | Very low | 41.7 | Very low | 128 Ų | 128 | 122.3 Ų | 122.3 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | | | | -132.4 | -179.8 | -75.9 | 41.9 | -25.9 | 0 | 0 | 0 | 116 | | |
| 476 | G | 39.7 | Very low | 42.1 | Very low | 77 Ų | 77 | 124.4 Ų | 124.4 | 79% | 0.794 | 75% | 0.747 | S | S | * | * | | | trans | 145.5 | 102.6 | 146.6 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 477 | S | 38.2 | Very low | 42.5 | Very low | 128 Ų | 128 | 119.3 Ų | 119.3 | 90% | 0.895 | 74% | 0.735 | S | S | * | * | | | trans | 28.3 | 148.2 | 151.6 | -143.3 | 0 | 0 | 0 | 0 | 124.6 | | |
| 478 | G | 40.4 | Very low | 42.4 | Very low | 71 Ų | 71 | 116.9 Ų | 116.9 | 73% | 0.732 | 73% | 0.733 | S | S | * | * | | | trans | -172.5 | -19.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 479 | E | 44.7 | Very low | 42.8 | Very low | 182 Ų | 182 | 120.8 Ų | 120.8 | 85% | 0.85 | 74% | 0.735 | S | S | * | * | | | trans | 65.8 | 165.6 | 167.7 | -70 | -114.1 | 80 | 0 | 0 | 120 | | |
| 480 | P | 48.9 | Very low | 43 | Very low | 101 Ų | 101 | 119.6 Ų | 119.6 | 66% | 0.656 | 73% | 0.729 | S | S | * | * | | | trans | -129.2 | -145.4 | -149.4 | 48.3 | -33 | 0 | 0 | 0 | 113.6 | | |
| 481 | P | 46.7 | Very low | 43.7 | Very low | 102 Ų | 102 | 119.9 Ų | 119.9 | 66% | 0.662 | 73% | 0.731 | S | S | * | * | | | cis | -138.7 | 170.1 | -14.2 | 39.9 | -20.3 | 0 | 0 | 0 | 118.9 | | |
| 482 | K | 40.4 | Very low | 44.4 | Very low | 195 Ų | 195 | 120.8 Ų | 120.8 | 85% | 0.848 | 74% | 0.737 | S | S | * | * | | | trans | 9.7 | 156.8 | 131.2 | -47.5 | 167.4 | -172.4 | 167.7 | 0 | 119.4 | | |
| 483 | S | 43.3 | Very low | 44.4 | Very low | 118 Ų | 118 | 115.3 Ų | 115.3 | 83% | 0.825 | 74% | 0.735 | S | S | * | * | | | cis | 177.6 | 175.5 | -8.9 | 53 | 0 | 0 | 0 | 0 | 107.5 | | |
| 484 | G | 41.4 | Very low | 44.9 | Very low | 62 Ų | 62 | 114.9 Ų | 114.9 | 64% | 0.639 | 74% | 0.737 | S | S | * | * | | | cis | 173.3 | -167.9 | 9.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 485 | E | 41.5 | Very low | 45.5 | Very low | 115 Ų | 115 | 115.7 Ų | 115.7 | 54% | 0.537 | 74% | 0.742 | S | S | . | * | | | trans | -122.6 | -177.9 | -164.6 | -27.1 | 91.7 | 101.9 | 0 | 0 | 113.4 | L558 K559 | E485-L558 WeakPolarHBondContact O-CD2 3.33Å; E485-K559 IonicContact OE1-NZ 2.7Å; E485-K559 PolarHBondContact OE1-NZ 3.38Å; E485-K559 IonicContact OE2-NZ 2.74Å; E485-K559 PolarHBondContact OE2-NZ 2.7Å |
| 486 | R | 45.2 | Very low | 45.1 | Very low | 126 Ų | 126 | 113.1 Ų | 113.1 | 48% | 0.475 | 74% | 0.739 | S | S | . | * | | | cis | -158.1 | 174.1 | 2.3 | -151.5 | 176.7 | 49 | 47.7 | -0.6 | 110.4 | N557 L558 | R486-N557 PolarHBondContact NH2-O 2.96Å; R486-L558 HydrophobicContact CB-CD1 3.86Å; R486-L558 HydrophobicContact CB-CD2 4.23Å; R486-L558 HydrophobicContact CB-CG 3.69Å; R486-L558 PolarHBondContact NE-O 3.42Å |
| 487 | S | 44.7 | Very low | 45.4 | Very low | 87 Ų | 87 | 116.2 Ų | 116.2 | 61% | 0.608 | 74% | 0.742 | S | S | * | * | | | trans | -63 | 157.5 | 176.9 | 51.7 | 0 | 0 | 0 | 0 | 117.9 | | |
| 488 | G | 41.9 | Very low | 45.8 | Very low | 60 Ų | 60 | 116.4 Ų | 116.4 | 62% | 0.619 | 74% | 0.741 | S | S | * | * | | | trans | 164.6 | 110.2 | 166 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 489 | Y | 51.1 | Low | 46 | Very low | 209 Ų | 209 | 116.9 Ų | 116.9 | 82% | 0.82 | 75% | 0.745 | S | S | * | * | | | trans | -81.6 | 176.2 | 174.4 | 63.4 | -96.7 | 0 | 0 | 0 | 111.9 | | |
| 490 | S | 47.4 | Very low | 45.9 | Very low | 96 Ų | 96 | 113.7 Ų | 113.7 | 67% | 0.671 | 74% | 0.744 | S | S | * | * | | | cis | -169.8 | 161.6 | -28.6 | -95.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 491 | S | 53.6 | Low | 45.8 | Very low | 113 Ų | 113 | 120.9 Ų | 120.9 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | | | trans | 67.3 | 166.2 | 145.4 | -71.3 | 0 | 0 | 0 | 0 | 121.4 | | |
| 492 | P | 56.7 | Low | 45.7 | Very low | 130 Ų | 130 | 120.7 Ų | 120.7 | 84% | 0.844 | 76% | 0.758 | S | S | * | * | | | cis | -135.9 | 178.3 | -36.9 | 36.3 | -19.9 | 0 | 0 | 0 | 114 | | |
| 493 | G | 37.9 | Very low | 46 | Very low | 76 Ų | 76 | 123.3 Ų | 123.3 | 78% | 0.784 | 76% | 0.763 | S | S | * | * | | | trans | 142.9 | 99.8 | 158.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 494 | S | 50.4 | Low | 46.2 | Very low | 120 Ų | 120 | 123.8 Ų | 123.8 | 84% | 0.839 | 76% | 0.761 | S | S | * | * | | | trans | -122.9 | -162.8 | 172.2 | -59.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 495 | P | 55.1 | Low | 46.5 | Very low | 134 Ų | 134 | 126.7 Ų | 126.7 | 87% | 0.87 | 77% | 0.769 | S | S | * | * | | | cis | -138.2 | -169.4 | -5.6 | 42.6 | -23.3 | 0 | 0 | 0 | 115 | | |
| 496 | G | 38.3 | Very low | 46.5 | Very low | 73 Ų | 73 | 126.2 Ų | 126.2 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | | | trans | 166.9 | 101.2 | 164 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 497 | T | 46.1 | Very low | 46.9 | Very low | 142 Ų | 142 | 127.8 Ų | 127.8 | 87% | 0.871 | 80% | 0.795 | S | S | * | * | | | trans | -134.5 | 171.3 | 163.6 | 60.7 | 0 | 0 | 0 | 0 | 107.1 | | |
| 498 | P | 46.6 | Very low | 47 | Very low | 132 Ų | 132 | 129.2 Ų | 129.2 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | | | cis | -145.8 | -165.6 | 32.7 | 43.5 | -21.2 | 0 | 0 | 0 | 116.2 | | |
| 499 | G | 43.3 | Very low | 47.6 | Very low | 81 Ų | 81 | 132.5 Ų | 132.5 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | | | trans | -179.8 | 100.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 500 | S | 44.4 | Very low | 47.9 | Very low | 116 Ų | 116 | 128.1 Ų | 128.1 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | | | trans | -109.1 | 141.6 | -178.8 | 178.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 501 | R | 46.5 | Very low | 48.3 | Very low | 252 Ų | 252 | 128.5 Ų | 128.5 | 95% | 0.951 | 81% | 0.808 | S | S | * | * | | | trans | -160.5 | 128.3 | 156.4 | -109.9 | 158.2 | -164.8 | -168.8 | 3.4 | 112.2 | | |
| 502 | S | 44.6 | Very low | 47.8 | Very low | 97 Ų | 97 | 129.1 Ų | 129.1 | 68% | 0.678 | 81% | 0.807 | S | S | * | * | | | trans | -94.9 | 152.4 | -175.3 | 172.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 503 | R | 46.4 | Very low | 47.4 | Very low | 251 Ų | 251 | 134.3 Ų | 134.3 | 95% | 0.947 | 81% | 0.81 | S | S | * | * | | | trans | -161.6 | 144 | 136.8 | -99.3 | 149 | -152.2 | -110.9 | 2.6 | 111.4 | | |
| 504 | T | 46.5 | Very low | 47.8 | Very low | 127 Ų | 127 | 139 Ų | 139 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | | | trans | -92.8 | 175.8 | -173.3 | 43.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 505 | P | 47.8 | Very low | 48.2 | Very low | 124 Ų | 124 | 139.1 Ų | 139.1 | 81% | 0.805 | 81% | 0.809 | S | S | * | * | | | cis | -121.6 | -150.8 | 19.5 | 32.3 | -6.7 | 0 | 0 | 0 | 112.8 | | |
| 506 | S | 42.6 | Very low | 47.8 | Very low | 104 Ų | 104 | 141.3 Ų | 141.3 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | | | cis | -163.3 | -174.2 | 21.2 | 59.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 507 | L | 52.2 | Low | 48.6 | Very low | 159 Ų | 159 | 146.9 Ų | 146.9 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | | | trans | -136.9 | 178.8 | -176 | -114.1 | 69.3 | 0 | 0 | 0 | 109.1 | | |
| 508 | P | 48.5 | Very low | 49 | Very low | 118 Ų | 118 | 146.8 Ų | 146.8 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | | | cis | -134.2 | -179.3 | 4.4 | 31.8 | -8.3 | 0 | 0 | 0 | 117.4 | | |
| 509 | T | 53 | Low | 49.2 | Very low | 128 Ų | 128 | 144.1 Ų | 144.1 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | | | trans | -105.6 | -170 | 179.3 | 22.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 510 | P | 57.5 | Low | 49.7 | Very low | 118 Ų | 118 | 146.7 Ų | 146.7 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | | | cis | -111.3 | -96.1 | -10.2 | 29.2 | -7.3 | 0 | 0 | 0 | 113.6 | | |
| 511 | P | 56.4 | Low | 49.9 | Very low | 103 Ų | 103 | 145.9 Ų | 145.9 | 67% | 0.669 | 79% | 0.786 | S | S | * | * | | | cis | -132.5 | 126.1 | -12.1 | 34.4 | -11.7 | 0 | 0 | 0 | 118.1 | | |
| 512 | T | 42.1 | Very low | 50.3 | Low | 127 Ų | 127 | 143.6 Ų | 143.6 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | | | trans | 60.6 | 139.6 | 147.7 | 33.1 | 0 | 0 | 0 | 0 | 126.1 | | |
| 513 | R | 49.7 | Very low | 50.9 | Low | 239 Ų | 239 | 145.3 Ų | 145.3 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | | | trans | 90.1 | 117.1 | 145 | -77.4 | 172.2 | 178.3 | -170 | -1.9 | 121 | | |
| 514 | E | 46.4 | Very low | 51 | Low | 173 Ų | 173 | 138.8 Ų | 138.8 | 81% | 0.808 | 77% | 0.774 | S | S | * | * | | | trans | -86.6 | 167.6 | 167.2 | -54.6 | 171.1 | -150.3 | 0 | 0 | 111.7 | | |
| 515 | P | 57.2 | Low | 51.3 | Low | 124 Ų | 124 | 138.7 Ų | 138.7 | 81% | 0.805 | 78% | 0.775 | S | S | * | * | | | | -150.4 | 154.7 | 98.1 | 38.5 | -21.7 | 0 | 0 | 0 | 118.2 | | |
| 516 | K | 47.3 | Very low | 51.1 | Low | 179 Ų | 179 | 142.4 Ų | 142.4 | 78% | 0.778 | 78% | 0.779 | S | S | * | * | | | trans | -19.4 | 135.9 | 156.3 | -54.1 | 162.9 | -176.7 | 173.7 | 0 | 117.3 | | |
| 517 | K | 55.4 | Low | 51.2 | Low | 191 Ų | 191 | 142.9 Ų | 142.9 | 83% | 0.83 | 78% | 0.782 | S | S | * | * | | | | 172.3 | 139.5 | 115.8 | -91.8 | 153.7 | -170.1 | -72.5 | 0 | 114.4 | | |
| 518 | V | 53.9 | Low | 51.1 | Low | 139 Ų | 139 | 141.1 Ų | 141.1 | 84% | 0.842 | 78% | 0.78 | S | S | * | * | | | trans | 36.4 | 139.7 | 131 | -174.7 | 0 | 0 | 0 | 0 | 119.5 | | |
| 519 | A | 52 | Low | 50.9 | Low | 76 Ų | 76 | 141.2 Ų | 141.2 | 63% | 0.628 | 78% | 0.784 | S | S | * | * | | | cis | 178.6 | -178.8 | -22.9 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 520 | V | 53.5 | Low | 50.3 | Low | 135 Ų | 135 | 139.7 Ų | 139.7 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | 68.6 | 139.1 | 154.9 | 159.7 | 0 | 0 | 0 | 0 | 116.9 | | |
| 521 | V | 48.8 | Very low | 49.8 | Very low | 99 Ų | 99 | 138.7 Ų | 138.7 | 60% | 0.6 | 78% | 0.78 | S | S | * | * | | | cis | -168.6 | 170.4 | -21 | 74.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 522 | R | 55 | Low | 49.4 | Very low | 204 Ų | 204 | 143.5 Ų | 143.5 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | | | trans | 69.7 | 99.5 | 160.6 | -75.8 | 170.5 | -177.7 | 99 | 4.1 | 120 | | |
| 523 | T | 57.3 | Low | 49.6 | Very low | 133 Ų | 133 | 143 Ų | 143 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | | | trans | 76.4 | 150.1 | 132.2 | 51.5 | 0 | 0 | 0 | 0 | 121 | | |
| 524 | P | 48.2 | Very low | 49.4 | Very low | 115 Ų | 115 | 142.4 Ų | 142.4 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | | | trans | -121.5 | 140.1 | -156.2 | 37.9 | -22.2 | 0 | 0 | 0 | 116.1 | | |
| 525 | P | 53.2 | Low | 49.3 | Very low | 124 Ų | 124 | 141.7 Ų | 141.7 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 163.1 | 155 | 34.8 | -30.8 | 0 | 0 | 0 | 111.5 | | |
| 526 | K | 43.6 | Very low | 48.9 | Very low | 202 Ų | 202 | 145.2 Ų | 145.2 | 88% | 0.878 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 167 | -177.2 | -65.7 | 164 | -176.3 | 171 | 0 | 111.6 | | |
| 527 | S | 42.9 | Very low | 48.4 | Very low | 114 Ų | 114 | 143.4 Ų | 143.4 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -47.6 | 160.3 | 174.3 | 48.9 | 0 | 0 | 0 | 0 | 114.5 | | |
| 528 | P | 51.8 | Low | 48.2 | Very low | 123 Ų | 123 | 138.6 Ų | 138.6 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | | | cis | -135.7 | 177.4 | 17.5 | 43.1 | -27.5 | 0 | 0 | 0 | 115.8 | | |
| 529 | S | 42.6 | Very low | 48 | Very low | 120 Ų | 120 | 137.6 Ų | 137.6 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | | | | 176.3 | 156.6 | 129.9 | -169.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 530 | A | 41.9 | Very low | 48.2 | Very low | 95 Ų | 95 | 140.5 Ų | 140.5 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | | | trans | -110.7 | 120.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 531 | S | 45.9 | Very low | 48.8 | Very low | 98 Ų | 98 | 139.4 Ų | 139.4 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | | | trans | -166.5 | 129.6 | 157 | 60.8 | 0 | 0 | 0 | 0 | 114.7 | | |
| 532 | K | 48.6 | Very low | 49.5 | Very low | 204 Ų | 204 | 142 Ų | 142 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | | | trans | 58.1 | 98.4 | 141.2 | -56.2 | 164.4 | -173.4 | 172.7 | 0 | 119.6 | | |
| 533 | S | 46.7 | Very low | 50.4 | Low | 117 Ų | 117 | 137.6 Ų | 137.6 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | trans | -164.8 | 107 | 132.5 | -145.2 | 0 | 0 | 0 | 0 | 108.7 | | |
| 534 | R | 45.5 | Very low | 50.8 | Low | 225 Ų | 225 | 135.4 Ų | 135.4 | 85% | 0.849 | 79% | 0.787 | S | S | * | * | | | | 70.1 | 84.8 | 83.1 | -166.6 | -180 | -178.7 | 161 | 2 | 114.2 | | |
| 535 | L | 44 | Very low | 52.1 | Low | 159 Ų | 159 | 135.6 Ų | 135.6 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | | | trans | 30.4 | 103.9 | 137 | -60.5 | 170.9 | 0 | 0 | 0 | 117.9 | | |
| 536 | Q | 47.5 | Very low | 53 | Low | 197 Ų | 197 | 137.3 Ų | 137.3 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | | | trans | -137.9 | 143.7 | 145.5 | -70.8 | -165 | -13.9 | 0 | 0 | 109.7 | | |
| 537 | T | 37.2 | Very low | 54.4 | Low | 142 Ų | 142 | 134.2 Ų | 134.2 | 87% | 0.871 | 77% | 0.769 | S | S | * | * | | | trans | -126.2 | 114.1 | -171.3 | -56.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 538 | A | 50.7 | Low | 56 | Low | 89 Ų | 89 | 134.1 Ų | 134.1 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | | | trans | -156.4 | 162.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 539 | P | 50.2 | Low | 57.1 | Low | 119 Ų | 119 | 137.9 Ų | 137.9 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 143.6 | -140.1 | 28.2 | -36.6 | 0 | 0 | 0 | 113.6 | P541 | P539-P541 WeakPolarHBondContact O-CD 3.23Š|
| 540 | V | 56.3 | Low | 58.7 | Low | 137 Ų | 137 | 135.8 Ų | 135.8 | 83% | 0.83 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 123.3 | 165.6 | -176.2 | 0 | 0 | 0 | 0 | 107.2 | M542 | V540-M542 PolarHBondContact O-N 2.96Š|
| 541 | P | 65.9 | Low | 60.5 | Low | 111 Ų | 111 | 141.7 Ų | 141.7 | 72% | 0.721 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 136.2 | 177.9 | -25.1 | 34.5 | 0 | 0 | 0 | 110 | P539 | P539-P541 WeakPolarHBondContact O-CD 3.23Š|
| 542 | M | 64.3 | Low | 61.7 | Low | 153 Ų | 153 | 142.9 Ų | 142.9 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 140.8 | 172.4 | -66.3 | -149.5 | -52.6 | 0 | 0 | 109.4 | V540 D544 | V540-M542 PolarHBondContact O-N 2.96Å; M542-D544 PolarHBondContact O-N 3.27Å |
| 543 | P | 73.1 | Confident | 62.8 | Low | 112 Ų | 112 | 135.4 Ų | 135.4 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 128.3 | 178.4 | 24.2 | -33.9 | 0 | 0 | 0 | 109.4 | L545 | P543-L545 PolarHBondContact O-N 3.42Š|
| 544 | D | 67.4 | Low | 63.7 | Low | 88 Ų | 88 | 132.8 Ų | 132.8 | 47% | 0.471 | 72% | 0.715 | S | S | . | * | | | trans | -71.7 | 101.6 | -156.6 | -159 | -30.3 | 0 | 0 | 0 | 112.2 | M542 K546 N547 | M542-D544 PolarHBondContact O-N 3.27Å; D544-K546 PolarHBondContact O-N 2.99Å; D544-K546 WeakPolarHBondContact OD1-CD 3.38Å; D544-K546 WeakPolarHBondContact OD1-CG 3.36Å; D544-K546 PolarHBondContact OD1-N 2.89Å; D544-K546 IonicContact OD1-NZ 2.63Å; D544-K546 WeakPolarHBondContact OD2-CE 3.38Å; D544-K546 IonicContact OD2-NZ 2.68Å; D544-K546 PolarHBondContact OD2-NZ 3.06Å; D544-N547 PolarHBondContact O-N 3.27Å |
| 545 | L | 74.3 | Confident | 64.8 | Low | 119 Ų | 119 | 125.7 Ų | 125.7 | 62% | 0.623 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -60.9 | -16.8 | -172.8 | -62.1 | 179.4 | 0 | 0 | 0 | 113.1 | P543 N547 V548 | P543-L545 PolarHBondContact O-N 3.42Å; L545-N547 PolarHBondContact O-N 2.97Å; L545-V548 HydrophobicContact CD2-CG2 4.29Å; L545-V548 PolarHBondContact O-N 3.24Å |
| 546 | K | 72.8 | Confident | 66.5 | Low | 160 Ų | 160 | 126 Ų | 126 | 70% | 0.696 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -60.1 | -17.2 | 175.8 | 82.1 | -165.7 | 176.2 | -150.5 | 0 | 114.3 | D544 | D544-K546 PolarHBondContact O-N 2.99Å; D544-K546 WeakPolarHBondContact OD1-CD 3.38Å; D544-K546 WeakPolarHBondContact OD1-CG 3.36Å; D544-K546 PolarHBondContact OD1-N 2.89Å; D544-K546 IonicContact OD1-NZ 2.63Å; D544-K546 WeakPolarHBondContact OD2-CE 3.38Å; D544-K546 IonicContact OD2-NZ 2.68Å; D544-K546 PolarHBondContact OD2-NZ 3.06Å |
| 547 | N | 73.2 | Confident | 67.5 | Low | 136 Ų | 136 | 122.2 Ų | 122.2 | 73% | 0.727 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -101 | 0.2 | 177.3 | -75.6 | 11.8 | 0 | 0 | 0 | 113.9 | D544 L545 | D544-N547 PolarHBondContact O-N 3.27Å; L545-N547 PolarHBondContact O-N 2.97Å |
| 548 | V | 76.5 | Confident | 69 | Low | 113 Ų | 113 | 117 Ų | 117 | 69% | 0.685 | 65% | 0.646 | S | S | * | * | | | trans | -89.5 | 113.2 | -179.7 | -178.1 | 0 | 0 | 0 | 0 | 109.8 | L545 | L545-V548 HydrophobicContact CD2-CG2 4.29Å; L545-V548 PolarHBondContact O-N 3.24Å |
| 549 | R | 74.6 | Confident | 70.3 | Confident | 201 Ų | 201 | 119.4 Ų | 119.4 | 76% | 0.758 | 64% | 0.64 | S | S | * | * | | | trans | -124.8 | 144.6 | 176.7 | -171.8 | 178 | 178.1 | -178 | 0.1 | 110.5 | | |
| 550 | S | 76.1 | Confident | 71.5 | Confident | 76 Ų | 76 | 120.1 Ų | 120.1 | 53% | 0.531 | 63% | 0.633 | S | S | . | * | | | trans | -59.3 | 142.6 | 172.6 | 54.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 551 | K | 78.9 | Confident | 72.5 | Confident | 220 Ų | 220 | 121.6 Ų | 121.6 | 96% | 0.957 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -83.6 | -1.8 | 164.3 | -67.6 | -175.4 | 178.5 | 179.4 | 0 | 112.7 | | |
| 552 | I | 72 | Confident | 72.7 | Confident | 123 Ų | 123 | 120.6 Ų | 120.6 | 63% | 0.631 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -87.4 | 126.8 | -177.1 | -39.5 | 173 | 0 | 0 | 0 | 108.6 | S554 | I552-S554 PolarHBondContact O-N 2.74Š|
| 553 | G | 72.5 | Confident | 72.9 | Confident | 47 Ų | 47 | 117.1 Ų | 117.1 | 49% | 0.485 | 63% | 0.627 | S | S | . | * | | | trans | -74.5 | 21.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | T555 E556 | G553-T555 PolarHBondContact O-N 2.8Å; G553-E556 VanDerWaalsContact O-CB 3.3Å; G553-E556 WeakPolarHBondContact O-CB 3.02Å; G553-E556 PolarHBondContact O-N 2.98Å |
| 554 | S | 63.7 | Low | 72.4 | Confident | 62 Ų | 62 | 115.1 Ų | 115.1 | 43% | 0.434 | 63% | 0.627 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -56.2 | -19.4 | -172.2 | -46.3 | 0 | 0 | 0 | 0 | 114.7 | I552 | I552-S554 PolarHBondContact O-N 2.74Š|
| 555 | T | 70 | Confident | 72.2 | Confident | 76 Ų | 76 | 114.9 Ų | 114.9 | 47% | 0.466 | 65% | 0.645 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.4 | 3.1 | 176.1 | 59.1 | 0 | 0 | 0 | 0 | 114.8 | G553 L558 | G553-T555 PolarHBondContact O-N 2.8Å; T555-L558 HydrophobicContact CG2-CD1 4.26Å; T555-L558 WeakPolarHBondContact O-CB 3.42Å; T555-L558 PolarHBondContact O-N 3.41Å |
| 556 | E | 78.4 | Confident | 71.7 | Confident | 164 Ų | 164 | 119 Ų | 119 | 77% | 0.766 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -67.9 | -46.7 | -173.1 | -170.8 | 168.7 | 154.9 | 0 | 0 | 112.4 | G553 L558 | G553-E556 VanDerWaalsContact O-CB 3.3Å; G553-E556 WeakPolarHBondContact O-CB 3.02Å; G553-E556 PolarHBondContact O-N 2.98Å; E556-L558 PolarHBondContact O-N 2.82Å |
| 557 | N | 68.9 | Low | 71.4 | Confident | 119 Ų | 119 | 117.6 Ų | 117.6 | 64% | 0.636 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -78.2 | 28 | 176.8 | -70.7 | -56.8 | 0 | 0 | 0 | 113.5 | R486 K559 | R486-N557 PolarHBondContact NH2-O 2.96Å; N557-K559 VanDerWaalsContact C-N 3.27Å; N557-K559 PolarHBondContact O-N 3.19Å |
| 558 | L | 70.2 | Confident | 71.2 | Confident | 32 Ų | 32 | 119.5 Ų | 119.5 | 17% | 0.168 | 67% | 0.667 | C | S | . | * | G | 310 helix | trans | -63.6 | -34.4 | 178.6 | -126.9 | 78.9 | 0 | 0 | 0 | 112.7 | E485 R486 T555 E556 | E485-L558 WeakPolarHBondContact O-CD2 3.33Å; R486-L558 HydrophobicContact CB-CD1 3.86Å; R486-L558 HydrophobicContact CB-CD2 4.23Å; R486-L558 HydrophobicContact CB-CG 3.69Å; R486-L558 PolarHBondContact NE-O 3.42Å; T555-L558 HydrophobicContact CG2-CD1 4.26Å; T555-L558 WeakPolarHBondContact O-CB 3.42Å; T555-L558 PolarHBondContact O-N 3.41Å; E556-L558 PolarHBondContact O-N 2.82Å |
| 559 | K | 78.2 | Confident | 70.8 | Confident | 139 Ų | 139 | 121.5 Ų | 121.5 | 60% | 0.604 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -110.4 | 22.6 | -167.7 | -54.4 | -61.3 | 176.1 | 171.6 | 0 | 113.6 | E485 N557 Q561 | E485-K559 IonicContact OE1-NZ 2.7Å; E485-K559 PolarHBondContact OE1-NZ 3.38Å; E485-K559 IonicContact OE2-NZ 2.74Å; E485-K559 PolarHBondContact OE2-NZ 2.7Å; N557-K559 VanDerWaalsContact C-N 3.27Å; N557-K559 PolarHBondContact O-N 3.19Å; K559-Q561 PolarHBondContact O-N 2.81Å |
| 560 | H | 75.1 | Confident | 70.7 | Confident | 135 Ų | 135 | 118.1 Ų | 118.1 | 63% | 0.625 | 67% | 0.668 | S | S | * | * | | | trans | -72.6 | 94.3 | 171.7 | -174.3 | 90.6 | 0 | 0 | 0 | 110 | P562 | H560-P562 WeakPolarHBondContact O-CD 3.34Š|
| 561 | Q | 75.6 | Confident | 70.2 | Confident | 168 Ų | 168 | 121.5 Ų | 121.5 | 79% | 0.785 | 68% | 0.68 | S | S | * | * | | | trans | -73.5 | 118 | 164.4 | -168.9 | 70.7 | 40.9 | 0 | 0 | 108.1 | K559 G563 | K559-Q561 PolarHBondContact O-N 2.81Å; Q561-G563 PolarHBondContact O-N 2.7Å |
| 562 | P | 70.7 | Confident | 69.8 | Low | 90 Ų | 90 | 119.3 Ų | 119.3 | 58% | 0.584 | 67% | 0.671 | S | S | * | * | | | trans | -63.5 | 122.1 | -177.7 | 24.5 | -33.4 | 0 | 0 | 0 | 110.8 | H560 G564 | H560-P562 WeakPolarHBondContact O-CD 3.34Å; P562-G564 PolarHBondContact O-N 2.74Å |
| 563 | G | 69.8 | Low | 69.4 | Low | 79 Ų | 79 | 122.8 Ų | 122.8 | 81% | 0.814 | 68% | 0.681 | S | S | * | * | | | trans | -74.7 | 33.3 | -171.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | Q561 | Q561-G563 PolarHBondContact O-N 2.7Š|
| 564 | G | 62.2 | Low | 69.1 | Low | 70 Ų | 70 | 126.9 Ų | 126.9 | 72% | 0.722 | 69% | 0.692 | S | S | * | * | | | trans | -81 | 150.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | P562 | P562-G564 PolarHBondContact O-N 2.74Š|
| 565 | G | 63 | Low | 69.1 | Low | 83 Ų | 83 | 130.2 Ų | 130.2 | 86% | 0.856 | 71% | 0.705 | S | S | * | * | S | Bend | trans | 107.9 | 9.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 566 | K | 64.5 | Low | 68.8 | Low | 206 Ų | 206 | 132 Ų | 132 | 90% | 0.896 | 71% | 0.71 | S | S | * | * | | | trans | -118.3 | 13 | 177.4 | -60.7 | -176.2 | -176.1 | 177.6 | 0 | 114.6 | | |
| 567 | V | 64.7 | Low | 68.2 | Low | 130 Ų | 130 | 128.1 Ų | 128.1 | 79% | 0.788 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -116.5 | 119.9 | 177.2 | -177.9 | 0 | 0 | 0 | 0 | 108.3 | I569 | V567-I569 PolarHBondContact O-N 3.42Š|
| 568 | Q | 69.1 | Low | 67.9 | Low | 176 Ų | 176 | 129.6 Ų | 129.6 | 82% | 0.822 | 71% | 0.71 | S | S | * | * | | | trans | -76.5 | 107.9 | 180 | -170.7 | 170 | 10.4 | 0 | 0 | 109.6 | I570 | Q568-I570 PolarHBondContact O-N 2.79Š|
| 569 | I | 69.1 | Low | 67.7 | Low | 155 Ų | 155 | 133 Ų | 133 | 80% | 0.795 | 73% | 0.731 | S | S | * | * | | | trans | -70.4 | 95.5 | 177.1 | -57.4 | 176.3 | 0 | 0 | 0 | 108.2 | V567 N571 | V567-I569 PolarHBondContact O-N 3.42Å; I569-N571 VanDerWaalsContact C-N 3.35Å; I569-N571 PolarHBondContact O-N 3.19Å |
| 570 | I | 71.3 | Confident | 67.1 | Low | 131 Ų | 131 | 134.6 Ų | 134.6 | 67% | 0.672 | 74% | 0.741 | S | S | * | * | | | trans | -71.8 | 93.3 | 174.8 | -59.2 | 178 | 0 | 0 | 0 | 107.8 | Q568 K572 | Q568-I570 PolarHBondContact O-N 2.79Å; I570-K572 HydrophobicContact CG2-CD 4.46Å; I570-K572 HydrophobicContact CG2-CG 4.01Å; I570-K572 PolarHBondContact O-N 2.95Å |
| 571 | N | 66.7 | Low | 66.8 | Low | 146 Ų | 146 | 133.3 Ų | 133.3 | 78% | 0.781 | 75% | 0.747 | S | S | * | * | | | trans | -74.2 | 64.6 | 178.2 | -164.5 | 6.3 | 0 | 0 | 0 | 111.4 | I569 K573 | I569-N571 VanDerWaalsContact C-N 3.35Å; I569-N571 PolarHBondContact O-N 3.19Å; N571-K573 VanDerWaalsContact C-N 3.25Å; N571-K573 PolarHBondContact O-N 2.65Å |
| 572 | K | 71.2 | Confident | 66.2 | Low | 175 Ų | 175 | 134.9 Ų | 134.9 | 76% | 0.761 | 75% | 0.752 | S | S | * | * | | | trans | -70.4 | 85.8 | 167.9 | -94.8 | -176.2 | 175.4 | -176.3 | 0 | 108.4 | I570 L574 | I570-K572 HydrophobicContact CG2-CD 4.46Å; I570-K572 HydrophobicContact CG2-CG 4.01Å; I570-K572 PolarHBondContact O-N 2.95Å; K572-L574 PolarHBondContact O-N 2.87Å |
| 573 | K | 63.5 | Low | 65.7 | Low | 195 Ų | 195 | 134.9 Ų | 134.9 | 85% | 0.848 | 75% | 0.753 | S | S | * | * | | | trans | -49.1 | 109.9 | 166 | -175.1 | -179.2 | -177.7 | -177.1 | 0 | 108.2 | N571 D575 | N571-K573 VanDerWaalsContact C-N 3.25Å; N571-K573 PolarHBondContact O-N 2.65Å; K573-D575 PolarHBondContact O-N 3.14Å |
| 574 | L | 66.1 | Low | 65.1 | Low | 134 Ų | 134 | 133.3 Ų | 133.3 | 70% | 0.702 | 74% | 0.736 | S | S | * | * | | | trans | -63.4 | 134.7 | 177.8 | -69.5 | 175.1 | 0 | 0 | 0 | 108.9 | K572 L576 | K572-L574 PolarHBondContact O-N 2.87Å; L574-L576 VanDerWaalsContact C-N 3.31Å; L574-L576 HydrophobicContact CB-CD2 4.09Å; L574-L576 HydrophobicContact CB-CG 4.32Å; L574-L576 PolarHBondContact O-N 3.41Å |
| 575 | D | 63.8 | Low | 65.1 | Low | 132 Ų | 132 | 134.3 Ų | 134.3 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | | | trans | -78.4 | 85.4 | 175.9 | -166.8 | -19.5 | 0 | 0 | 0 | 109.3 | K573 S577 | K573-D575 PolarHBondContact O-N 3.14Å; D575-S577 PolarHBondContact O-N 3.26Å; D575-S577 WeakPolarHBondContact OD1-CB 3.18Å; D575-S577 PolarHBondContact OD1-N 3.25Å; D575-S577 PolarHBondContact OD1-OG 3.32Å |
| 576 | L | 63.4 | Low | 64.9 | Low | 112 Ų | 112 | 137.8 Ų | 137.8 | 59% | 0.586 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -76.9 | 12.6 | -178.7 | -60.6 | 178.3 | 0 | 0 | 0 | 113.3 | L574 N578 V579 | L574-L576 VanDerWaalsContact C-N 3.31Å; L574-L576 HydrophobicContact CB-CD2 4.09Å; L574-L576 HydrophobicContact CB-CG 4.32Å; L574-L576 PolarHBondContact O-N 3.41Å; L576-N578 PolarHBondContact O-N 3.34Å; L576-V579 HydrophobicContact CB-CB 4.41Å; L576-V579 HydrophobicContact CB-CG2 4.48Å; L576-V579 HydrophobicContact CD2-CB 4.39Å; L576-V579 HydrophobicContact CD2-CG2 3.94Å; L576-V579 PolarHBondContact O-N 3.2Å |
| 577 | S | 65.8 | Low | 64.7 | Low | 84 Ų | 84 | 134.6 Ų | 134.6 | 59% | 0.587 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -52.3 | -22.5 | 179.8 | 48.9 | 0 | 0 | 0 | 0 | 115 | D575 | D575-S577 PolarHBondContact O-N 3.26Å; D575-S577 WeakPolarHBondContact OD1-CB 3.18Å; D575-S577 PolarHBondContact OD1-N 3.25Å; D575-S577 PolarHBondContact OD1-OG 3.32Å |
| 578 | N | 61.5 | Low | 64.2 | Low | 150 Ų | 150 | 134.1 Ų | 134.1 | 80% | 0.802 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -110.1 | 11.4 | -179.4 | -64.2 | -83.7 | 0 | 0 | 0 | 113.8 | L576 | L576-N578 PolarHBondContact O-N 3.34Š|
| 579 | V | 66.7 | Low | 63.8 | Low | 103 Ų | 103 | 131.6 Ų | 131.6 | 62% | 0.624 | 70% | 0.7 | S | S | * | * | | | trans | -108.5 | 90.1 | -176.3 | -174.5 | 0 | 0 | 0 | 0 | 110.9 | L576 | L576-V579 HydrophobicContact CB-CB 4.41Å; L576-V579 HydrophobicContact CB-CG2 4.48Å; L576-V579 HydrophobicContact CD2-CB 4.39Å; L576-V579 HydrophobicContact CD2-CG2 3.94Å; L576-V579 PolarHBondContact O-N 3.2Å |
| 580 | Q | 65.6 | Low | 63.6 | Low | 173 Ų | 173 | 133.7 Ų | 133.7 | 81% | 0.808 | 70% | 0.704 | S | S | * | * | | | trans | -74.2 | 134 | 169 | -76.4 | -174.5 | -40.4 | 0 | 0 | 111.5 | K582 | Q580-K582 PolarHBondContact O-N 2.89Š|
| 581 | S | 68.4 | Low | 63 | Low | 108 Ų | 108 | 133 Ų | 133 | 76% | 0.755 | 70% | 0.697 | S | S | * | * | | | trans | -64.6 | 122.4 | 170.9 | 50.7 | 0 | 0 | 0 | 0 | 111.3 | C583 | S581-C583 VanDerWaalsContact C-N 3.26Å; S581-C583 PolarHBondContact O-N 3.02Å |
| 582 | K | 63.3 | Low | 62.8 | Low | 201 Ų | 201 | 132 Ų | 132 | 87% | 0.874 | 70% | 0.697 | S | S | * | * | | | trans | -81.4 | 2.1 | 175.3 | -72.8 | -71.4 | -176.3 | -178.7 | 0 | 114.4 | Q580 | Q580-K582 PolarHBondContact O-N 2.89Š|
| 583 | C | 60.5 | Low | 62.4 | Low | 90 Ų | 90 | 128.8 Ų | 128.8 | 61% | 0.608 | 69% | 0.693 | S | S | * | * | | | trans | -89.5 | 102.2 | 175.8 | -166.8 | 0 | 0 | 0 | 0 | 109.7 | S581 S585 | S581-C583 VanDerWaalsContact C-N 3.26Å; S581-C583 PolarHBondContact O-N 3.02Å; C583-S585 PolarHBondContact O-N 2.99Å |
| 584 | G | 57.6 | Low | 62 | Low | 45 Ų | 45 | 122.8 Ų | 122.8 | 46% | 0.464 | 69% | 0.687 | S | S | . | * | | | trans | -74 | 30.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | K586 D587 | G584-K586 PolarHBondContact O-N 3.37Å; G584-D587 WeakPolarHBondContact CA-OD2 3.4Å; G584-D587 PolarHBondContact O-N 3.21Å |
| 585 | S | 61 | Low | 61.2 | Low | 91 Ų | 91 | 120.3 Ų | 120.3 | 64% | 0.636 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 9.9 | -172.4 | 57 | 0 | 0 | 0 | 0 | 114.9 | C583 | C583-S585 PolarHBondContact O-N 2.99Š|
| 586 | K | 59.4 | Low | 60.7 | Low | 157 Ų | 157 | 117.1 Ų | 117.1 | 68% | 0.683 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.6 | -1.6 | 176 | -65.5 | -153.6 | 169.3 | -169.7 | 0 | 114.2 | G584 N588 I589 | G584-K586 PolarHBondContact O-N 3.37Å; K586-N588 VanDerWaalsContact C-N 3.28Å; K586-N588 PolarHBondContact O-N 3.05Å; K586-I589 HydrophobicContact CB-CD1 3.7Å; K586-I589 HydrophobicContact CB-CG1 4.48Å; K586-I589 HydrophobicContact CD-CD1 4.01Å; K586-I589 HydrophobicContact CG-CD1 3.74Å; K586-I589 WeakPolarHBondContact O-CB 3.45Å; K586-I589 WeakPolarHBondContact O-CG1 3.31Å; K586-I589 PolarHBondContact O-N 2.98Å |
| 587 | D | 60.1 | Low | 59.7 | Low | 138 Ų | 138 | 118.2 Ų | 118.2 | 74% | 0.738 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -18.2 | -167.4 | -57.8 | -18.6 | 0 | 0 | 0 | 112.6 | G584 | G584-D587 WeakPolarHBondContact CA-OD2 3.4Å; G584-D587 PolarHBondContact O-N 3.21Å |
| 588 | N | 54.4 | Low | 59.4 | Low | 120 Ų | 120 | 120.2 Ų | 120.2 | 64% | 0.642 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | 11.5 | 177.1 | -133.6 | 20.4 | 0 | 0 | 0 | 114.3 | K586 K590 H591 | K586-N588 VanDerWaalsContact C-N 3.28Å; K586-N588 PolarHBondContact O-N 3.05Å; N588-K590 PolarHBondContact O-N 3.11Å; N588-H591 WeakPolarHBondContact O-CB 3.22Å; N588-H591 PolarHBondContact O-N 3.02Å; N588-H591 VanDerWaalsContact O-N 3.11Å |
| 589 | I | 60.7 | Low | 59.4 | Low | 124 Ų | 124 | 121.7 Ų | 121.7 | 64% | 0.636 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -6.2 | 179.1 | -68.8 | 178.3 | 0 | 0 | 0 | 112.9 | K586 | K586-I589 HydrophobicContact CB-CD1 3.7Å; K586-I589 HydrophobicContact CB-CG1 4.48Å; K586-I589 HydrophobicContact CD-CD1 4.01Å; K586-I589 HydrophobicContact CG-CD1 3.74Å; K586-I589 WeakPolarHBondContact O-CB 3.45Å; K586-I589 WeakPolarHBondContact O-CG1 3.31Å; K586-I589 PolarHBondContact O-N 2.98Å |
| 590 | K | 65.5 | Low | 59.3 | Low | 199 Ų | 199 | 124.2 Ų | 124.2 | 87% | 0.865 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.2 | 15.4 | 175.7 | -60.4 | -174.6 | 179.7 | -177.3 | 0 | 113.7 | N588 V592 | N588-K590 PolarHBondContact O-N 3.11Å; K590-V592 PolarHBondContact O-N 3.22Å |
| 591 | H | 58.5 | Low | 59.6 | Low | 115 Ų | 115 | 120.8 Ų | 120.8 | 53% | 0.532 | 72% | 0.719 | S | S | . | * | | | trans | -75.6 | 91 | -178.9 | -173 | -76.6 | 0 | 0 | 0 | 111.8 | N588 P593 | N588-H591 WeakPolarHBondContact O-CB 3.22Å; N588-H591 PolarHBondContact O-N 3.02Å; N588-H591 VanDerWaalsContact O-N 3.11Å; H591-P593 WeakPolarHBondContact O-CD 3.11Å |
| 592 | V | 61.6 | Low | 59.4 | Low | 127 Ų | 127 | 125 Ų | 125 | 77% | 0.77 | 72% | 0.719 | S | S | * | * | | | trans | -80.7 | 116.5 | 163.2 | -178.2 | 0 | 0 | 0 | 0 | 107.7 | K590 G594 | K590-V592 PolarHBondContact O-N 3.22Å; V592-G594 VanDerWaalsContact C-N 3.27Å; V592-G594 PolarHBondContact O-N 2.95Å |
| 593 | P | 63.2 | Low | 60 | Low | 106 Ų | 106 | 123.5 Ų | 123.5 | 69% | 0.688 | 71% | 0.713 | S | S | * | * | | | trans | -76.1 | 77.4 | 179.1 | 32.4 | -34.8 | 0 | 0 | 0 | 110.6 | H591 G595 | H591-P593 WeakPolarHBondContact O-CD 3.11Å; P593-G595 PolarHBondContact O-N 3.31Å |
| 594 | G | 54.6 | Low | 60.7 | Low | 70 Ų | 70 | 123.4 Ų | 123.4 | 72% | 0.722 | 71% | 0.711 | S | S | * | * | | | trans | -70 | 107.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | V592 | V592-G594 VanDerWaalsContact C-N 3.27Å; V592-G594 PolarHBondContact O-N 2.95Å |
| 595 | G | 49.3 | Very low | 61.4 | Low | 81 Ų | 81 | 127 Ų | 127 | 84% | 0.835 | 72% | 0.724 | S | S | * | * | | | trans | -61.5 | 147.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | P593 | P593-G595 PolarHBondContact O-N 3.31Š|
| 596 | G | 54.2 | Low | 61.7 | Low | 66 Ų | 66 | 129.5 Ų | 129.5 | 68% | 0.68 | 73% | 0.73 | S | S | * | * | | | trans | 173.7 | 112.5 | -178 | 0 | 0 | 0 | 0 | 0 | 112.1 | V598 | G596-V598 PolarHBondContact O-N 3.31Š|
| 597 | S | 42.9 | Very low | 62.1 | Low | 135 Ų | 135 | 128.1 Ų | 128.1 | 94% | 0.944 | 73% | 0.73 | S | S | * | * | | | trans | -68.1 | 90.5 | -171.9 | 39.4 | 0 | 0 | 0 | 0 | 113.6 | | |
| 598 | V | 59 | Low | 62.4 | Low | 126 Ų | 126 | 126.4 Ų | 126.4 | 76% | 0.764 | 73% | 0.728 | S | S | * | * | | | trans | -126.8 | 119 | 172.2 | -173.8 | 0 | 0 | 0 | 0 | 111.9 | G596 I600 | G596-V598 PolarHBondContact O-N 3.31Å; V598-I600 PolarHBondContact O-N 3.4Å |
| 599 | Q | 61.9 | Low | 62.8 | Low | 180 Ų | 180 | 129.8 Ų | 129.8 | 84% | 0.841 | 74% | 0.737 | S | S | * | * | | | trans | -77.7 | 100.6 | -174.2 | -168.1 | 176.9 | 76 | 0 | 0 | 111.8 | V601 | Q599-V601 PolarHBondContact O-N 3.43Å; Q599-V601 VanDerWaalsContact O-N 3.07Å |
| 600 | I | 63.9 | Low | 63.1 | Low | 156 Ų | 156 | 129.5 Ų | 129.5 | 80% | 0.8 | 74% | 0.741 | S | S | * | * | | | trans | -77.8 | 95.7 | -176.7 | -56.3 | -177.9 | 0 | 0 | 0 | 111.3 | V598 Y602 | V598-I600 PolarHBondContact O-N 3.4Å; I600-Y602 PolarHBondContact O-N 3.38Å; I600-Y602 VanDerWaalsContact O-N 3.12Å |
| 601 | V | 72.2 | Confident | 63 | Low | 102 Ų | 102 | 124.6 Ų | 124.6 | 62% | 0.618 | 73% | 0.728 | S | S | * | * | | | trans | -71.8 | 101.3 | 173.4 | -176 | 0 | 0 | 0 | 0 | 110.3 | Q599 K603 | Q599-V601 PolarHBondContact O-N 3.43Å; Q599-V601 VanDerWaalsContact O-N 3.07Å; V601-K603 HydrophobicContact CG1-CG 4.38Å; V601-K603 PolarHBondContact O-N 2.94Å |
| 602 | Y | 64 | Low | 63.3 | Low | 196 Ų | 196 | 124.7 Ų | 124.7 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | | | trans | -67.3 | 98.1 | 178.6 | -174.5 | -99.6 | 0 | 0 | 0 | 112.2 | I600 P604 | I600-Y602 PolarHBondContact O-N 3.38Å; I600-Y602 VanDerWaalsContact O-N 3.12Å; Y602-P604 HydrophobicContact CE1-CB 3.9Å; Y602-P604 HydrophobicContact CE1-CG 4.05Å |
| 603 | K | 74.4 | Confident | 63.3 | Low | 170 Ų | 170 | 127.7 Ų | 127.7 | 74% | 0.739 | 74% | 0.744 | S | S | * | * | | | trans | -106.1 | 106.5 | 164 | -69 | 179 | -178.6 | 174.8 | 0 | 107.8 | V601 V605 | V601-K603 HydrophobicContact CG1-CG 4.38Å; V601-K603 PolarHBondContact O-N 2.94Å; K603-V605 PolarHBondContact O-N 3.25Å |
| 604 | P | 75.3 | Confident | 63.2 | Low | 88 Ų | 88 | 128.2 Ų | 128.2 | 57% | 0.571 | 75% | 0.749 | S | S | * | * | | | trans | -62.5 | 134.2 | 179.6 | 24.7 | -32.3 | 0 | 0 | 0 | 110.4 | Y602 | Y602-P604 HydrophobicContact CE1-CB 3.9Å; Y602-P604 HydrophobicContact CE1-CG 4.05Å |
| 605 | V | 73.4 | Confident | 63.3 | Low | 119 Ų | 119 | 127.2 Ų | 127.2 | 72% | 0.721 | 74% | 0.739 | S | S | * | * | | | trans | -94.2 | 124.8 | 177.1 | 176.7 | 0 | 0 | 0 | 0 | 108.9 | K603 L607 | K603-V605 PolarHBondContact O-N 3.25Å; V605-L607 PolarHBondContact O-N 3.19Å |
| 606 | D | 67.7 | Low | 63.5 | Low | 144 Ų | 144 | 127.6 Ų | 127.6 | 77% | 0.77 | 73% | 0.729 | S | S | * | * | | | trans | -67 | 91.8 | 179.6 | -78 | -44.8 | 0 | 0 | 0 | 112.3 | S608 | D606-S608 PolarHBondContact O-N 3.04Š|
| 607 | L | 67 | Low | 63.6 | Low | 129 Ų | 129 | 132.4 Ų | 132.4 | 68% | 0.675 | 74% | 0.738 | S | S | * | * | | | trans | -73.8 | 21.3 | 172.9 | -62.1 | 179.9 | 0 | 0 | 0 | 113.5 | V605 K609 V610 | V605-L607 PolarHBondContact O-N 3.19Å; L607-K609 PolarHBondContact O-N 3.22Å; L607-V610 HydrophobicContact CB-CG2 4.28Å; L607-V610 PolarHBondContact O-N 3.44Å |
| 608 | S | 66.5 | Low | 64.5 | Low | 102 Ų | 102 | 128.4 Ų | 128.4 | 71% | 0.713 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | 11.1 | -173.9 | 58.9 | 0 | 0 | 0 | 0 | 115.9 | D606 | D606-S608 PolarHBondContact O-N 3.04Š|
| 609 | K | 63.1 | Low | 64.5 | Low | 190 Ų | 190 | 129.9 Ų | 129.9 | 83% | 0.826 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.1 | -2.4 | 177.1 | -64.6 | 179.7 | -178.6 | 173.4 | 0 | 113.8 | L607 T611 | L607-K609 PolarHBondContact O-N 3.22Å; K609-T611 PolarHBondContact O-N 3.01Å |
| 610 | V | 66.1 | Low | 64.5 | Low | 119 Ų | 119 | 127.2 Ų | 127.2 | 72% | 0.721 | 71% | 0.712 | S | S | * | * | | | trans | -82 | 109.9 | 178.3 | -176.3 | 0 | 0 | 0 | 0 | 109.5 | L607 | L607-V610 HydrophobicContact CB-CG2 4.28Å; L607-V610 PolarHBondContact O-N 3.44Å |
| 611 | T | 64.2 | Low | 64.8 | Low | 96 Ų | 96 | 128 Ų | 128 | 59% | 0.589 | 71% | 0.712 | S | S | * | * | | | trans | -115.2 | 129 | 177.4 | 54.1 | 0 | 0 | 0 | 0 | 110.8 | K609 K613 | K609-T611 PolarHBondContact O-N 3.01Å; T611-K613 PolarHBondContact O-N 3.44Å |
| 612 | S | 64.3 | Low | 64.7 | Low | 117 Ų | 117 | 130.3 Ų | 130.3 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | | | trans | -71.3 | 122 | 177 | 46 | 0 | 0 | 0 | 0 | 110.8 | C614 | S612-C614 VanDerWaalsContact C-N 3.29Å; S612-C614 PolarHBondContact O-N 3.24Å |
| 613 | K | 62.5 | Low | 65 | Low | 189 Ų | 189 | 130 Ų | 130 | 82% | 0.822 | 72% | 0.718 | S | S | * | * | | | trans | -91.5 | 30.2 | -176.9 | -64.4 | -66.3 | -176.3 | 179.7 | 0 | 113.7 | T611 | T611-K613 PolarHBondContact O-N 3.44Š|
| 614 | C | 60.9 | Low | 64.8 | Low | 118 Ų | 118 | 126.6 Ų | 126.6 | 80% | 0.797 | 71% | 0.714 | S | S | * | * | | | trans | -97.6 | 95.3 | -176.6 | -167 | 0 | 0 | 0 | 0 | 111.4 | S612 | S612-C614 VanDerWaalsContact C-N 3.29Å; S612-C614 PolarHBondContact O-N 3.24Å |
| 615 | G | 55.7 | Low | 64.5 | Low | 49 Ų | 49 | 126.5 Ų | 126.5 | 51% | 0.505 | 73% | 0.728 | S | S | . | * | | | trans | -71.5 | 140.6 | 157 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 616 | S | 53.4 | Low | 64.5 | Low | 88 Ų | 88 | 124 Ų | 124 | 62% | 0.615 | 73% | 0.727 | S | S | * | * | | | | 64.4 | 140.5 | 70.9 | 80.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 617 | L | 56.7 | Low | 64.7 | Low | 167 Ų | 167 | 120.8 Ų | 120.8 | 87% | 0.874 | 73% | 0.728 | S | S | * | * | | | cis | -137.9 | 150.1 | 28.9 | -65.9 | 153.7 | 0 | 0 | 0 | 111.6 | | |
| 618 | G | 61.9 | Low | 64.8 | Low | 52 Ų | 52 | 122.6 Ų | 122.6 | 54% | 0.536 | 73% | 0.733 | S | S | . | * | S | Bend | trans | 165.3 | -110.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I620 | G618-I620 PolarHBondContact O-N 2.95Š|
| 619 | N | 60 | Low | 65 | Low | 157 Ų | 157 | 123.9 Ų | 123.9 | 84% | 0.84 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -93.1 | 17.7 | -164.7 | -61.2 | 5.9 | 0 | 0 | 0 | 114.9 | H621 H622 | N619-H621 PolarHBondContact O-N 3.43Å; N619-H622 PolarHBondContact O-N 3.38Å |
| 620 | I | 60.8 | Low | 65.6 | Low | 123 Ų | 123 | 120.4 Ų | 120.4 | 63% | 0.631 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | -4.5 | -166.9 | -15.7 | 177.9 | 0 | 0 | 0 | 114.8 | G618 | G618-I620 PolarHBondContact O-N 2.95Š|
| 621 | H | 69.9 | Low | 65.8 | Low | 173 Ų | 173 | 120.3 Ų | 120.3 | 80% | 0.801 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | 5 | -179.9 | -64.5 | 113.1 | 0 | 0 | 0 | 114.1 | N619 K623 | N619-H621 PolarHBondContact O-N 3.43Å; H621-K623 PolarHBondContact O-N 3.45Å; H621-K623 VanDerWaalsContact O-N 3.14Å |
| 622 | H | 70.8 | Confident | 66.3 | Low | 150 Ų | 150 | 123.4 Ų | 123.4 | 69% | 0.694 | 73% | 0.727 | S | S | * | * | | | trans | -65 | 113.7 | 174.5 | -174 | -101.9 | 0 | 0 | 0 | 111.2 | N619 P624 | N619-H622 PolarHBondContact O-N 3.38Å; H622-P624 VanDerWaalsContact O-CD 3.27Å; H622-P624 WeakPolarHBondContact O-CD 3.43Å |
| 623 | K | 70.9 | Confident | 66.5 | Low | 190 Ų | 190 | 123.4 Ų | 123.4 | 83% | 0.826 | 73% | 0.727 | S | S | * | * | | | trans | -97.2 | 99 | 168 | -68.9 | -66.7 | -173 | 178.8 | 0 | 108.4 | H621 G625 | H621-K623 PolarHBondContact O-N 3.45Å; H621-K623 VanDerWaalsContact O-N 3.14Å; K623-G625 PolarHBondContact O-N 3.34Å |
| 624 | P | 69.3 | Low | 67.1 | Low | 99 Ų | 99 | 122.5 Ų | 122.5 | 64% | 0.643 | 73% | 0.726 | S | S | * | * | | | trans | -65.3 | 117.5 | 170.9 | 27.1 | -31.8 | 0 | 0 | 0 | 108.8 | H622 G626 | H622-P624 VanDerWaalsContact O-CD 3.27Å; H622-P624 WeakPolarHBondContact O-CD 3.43Å; P624-G626 VanDerWaalsContact C-N 3.29Å; P624-G626 PolarHBondContact O-N 3.46Å |
| 625 | G | 69.4 | Low | 67.6 | Low | 85 Ų | 85 | 125.7 Ų | 125.7 | 88% | 0.876 | 73% | 0.727 | S | S | * | * | | | trans | -75.7 | 77.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | K623 | K623-G625 PolarHBondContact O-N 3.34Š|
| 626 | G | 73.6 | Confident | 68.2 | Low | 68 Ų | 68 | 128.2 Ų | 128.2 | 70% | 0.701 | 73% | 0.728 | S | S | * | * | | | trans | -71.5 | 146.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | P624 | P624-G626 VanDerWaalsContact C-N 3.29Å; P624-G626 PolarHBondContact O-N 3.46Å |
| 627 | G | 70.9 | Confident | 68.9 | Low | 76 Ų | 76 | 130.6 Ų | 130.6 | 78% | 0.784 | 73% | 0.734 | S | S | * | * | | | trans | -70.5 | 138.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V629 | G627-V629 PolarHBondContact O-N 3.24Š|
| 628 | Q | 70.5 | Confident | 69.3 | Low | 167 Ų | 167 | 127.7 Ų | 127.7 | 78% | 0.78 | 71% | 0.714 | S | S | * | * | | | trans | -82.3 | 105.6 | 176.3 | -176.6 | 175.4 | -0 | 0 | 0 | 110.5 | E630 | Q628-E630 HydrophobicContact CG-CG 4.48Å; Q628-E630 PolarHBondContact NE2-OE1 3.19Å |
| 629 | V | 69.8 | Low | 69.6 | Low | 128 Ų | 128 | 134.5 Ų | 134.5 | 78% | 0.776 | 73% | 0.729 | S | S | * | * | | | trans | -116.9 | 100.7 | 172.3 | -177.8 | 0 | 0 | 0 | 0 | 108.8 | G627 | G627-V629 PolarHBondContact O-N 3.24Š|
| 630 | E | 75.9 | Confident | 70 | Confident | 117 Ų | 117 | 134.5 Ų | 134.5 | 55% | 0.547 | 73% | 0.729 | S | S | . | * | | | trans | -90.4 | 108.6 | 175.6 | -77.9 | 176.2 | -153.7 | 0 | 0 | 111.1 | Q628 K632 | Q628-E630 HydrophobicContact CG-CG 4.48Å; Q628-E630 PolarHBondContact NE2-OE1 3.19Å; E630-K632 WeakPolarHBondContact OE2-CE 3.3Å; E630-K632 IonicContact OE2-NZ 2.78Å; E630-K632 PolarHBondContact OE2-NZ 2.96Å |
| 631 | V | 71.2 | Confident | 70.3 | Confident | 118 Ų | 118 | 140 Ų | 140 | 72% | 0.715 | 74% | 0.742 | S | S | * | * | | | trans | -92.2 | 119.6 | 166 | -177.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 632 | K | 75.1 | Confident | 70.3 | Confident | 160 Ų | 160 | 137.2 Ų | 137.2 | 70% | 0.696 | 74% | 0.737 | S | S | * | * | | | trans | -102.5 | 112.7 | -177.3 | -69.7 | 176.5 | 179.5 | 166.5 | 0 | 110 | E630 E634 | E630-K632 WeakPolarHBondContact OE2-CE 3.3Å; E630-K632 IonicContact OE2-NZ 2.78Å; E630-K632 PolarHBondContact OE2-NZ 2.96Å; K632-E634 PolarHBondContact O-N 2.98Å |
| 633 | S | 67.1 | Low | 69.9 | Low | 117 Ų | 117 | 138.4 Ų | 138.4 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | | | trans | -85.1 | 87.8 | 178.5 | 39.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 634 | E | 75.8 | Confident | 69.7 | Low | 171 Ų | 171 | 134.6 Ų | 134.6 | 80% | 0.799 | 74% | 0.74 | S | S | * | * | | | trans | -69.1 | 140.1 | 166.7 | -172.2 | 166.1 | 179.9 | 0 | 0 | 110.6 | K632 L636 | K632-E634 PolarHBondContact O-N 2.98Å; E634-L636 PolarHBondContact O-N 2.61Å; E634-L636 VanDerWaalsContact O-N 3.12Å |
| 635 | K | 72.1 | Confident | 69.7 | Low | 185 Ų | 185 | 139.8 Ų | 139.8 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | | | trans | -82.9 | 90.6 | -176.4 | -70.2 | -169.9 | 175.5 | -170 | 0 | 111.1 | | |
| 636 | L | 67.5 | Low | 69.5 | Low | 102 Ų | 102 | 141.9 Ų | 141.9 | 53% | 0.534 | 74% | 0.743 | S | S | . | * | | | trans | -89.7 | 102.5 | 166.1 | -68.4 | 174.8 | 0 | 0 | 0 | 109.8 | E634 F638 | E634-L636 PolarHBondContact O-N 2.61Å; E634-L636 VanDerWaalsContact O-N 3.12Å; L636-F638 VanDerWaalsContact C-N 3.32Å; L636-F638 HydrophobicContact CB-CD2 3.97Å; L636-F638 HydrophobicContact CB-CE2 3.43Å; L636-F638 VanDerWaalsContact CB-CE2 3.43Å; L636-F638 HydrophobicContact CB-CZ 3.84Å; L636-F638 HydrophobicContact CD1-CE2 4.06Å; L636-F638 HydrophobicContact CD1-CZ 3.86Å; L636-F638 HydrophobicContact CG-CE2 4.4Å; L636-F638 HydrophobicContact CG-CZ 4.47Å; L636-F638 WeakPolarHBondContact O-CD2 3.48Å; L636-F638 PolarHBondContact O-N 3.17Å |
| 637 | D | 68.7 | Low | 69.1 | Low | 138 Ų | 138 | 141.8 Ų | 141.8 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | | | trans | -77.8 | 77.2 | 179.8 | -71.9 | -52.1 | 0 | 0 | 0 | 111.6 | K639 | D637-K639 PolarHBondContact O-N 2.99Š|
| 638 | F | 64.7 | Low | 68.7 | Low | 105 Ų | 105 | 142.3 Ų | 142.3 | 46% | 0.461 | 73% | 0.733 | S | S | . | * | | | trans | -65.3 | 12.2 | 175.3 | -67.7 | -72.5 | 0 | 0 | 0 | 115 | V283 L636 D640 V642 | V283-F638 HydrophobicContact CG2-CD2 4.46Å; V283-F638 HydrophobicContact CG2-CE2 4.18Å; L636-F638 VanDerWaalsContact C-N 3.32Å; L636-F638 HydrophobicContact CB-CD2 3.97Å; L636-F638 HydrophobicContact CB-CE2 3.43Å; L636-F638 VanDerWaalsContact CB-CE2 3.43Å; L636-F638 HydrophobicContact CB-CZ 3.84Å; L636-F638 HydrophobicContact CD1-CE2 4.06Å; L636-F638 HydrophobicContact CD1-CZ 3.86Å; L636-F638 HydrophobicContact CG-CE2 4.4Å; L636-F638 HydrophobicContact CG-CZ 4.47Å; L636-F638 WeakPolarHBondContact O-CD2 3.48Å; L636-F638 PolarHBondContact O-N 3.17Å; F638-D640 VanDerWaalsContact C-N 3.28Å; F638-D640 PolarHBondContact O-N 3.01Å; F638-D640 VanDerWaalsContact O-N 3.15Å; F638-V642 HydrophobicContact CB-CG2 3.9Å; F638-V642 HydrophobicContact CD1-CG2 4.3Å; F638-V642 HydrophobicContact CG-CG2 4.45Å |
| 639 | K | 68.2 | Low | 68.5 | Low | 195 Ų | 195 | 138.3 Ų | 138.3 | 85% | 0.848 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -16 | -158.9 | -142 | 70.2 | -176.8 | 168 | 0 | 115.6 | D637 | D637-K639 PolarHBondContact O-N 2.99Š|
| 640 | D | 68.2 | Low | 68.3 | Low | 158 Ų | 158 | 138.3 Ų | 138.3 | 85% | 0.845 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.5 | -1.7 | -166.1 | -135.9 | 7.7 | 0 | 0 | 0 | 113.6 | F638 | F638-D640 VanDerWaalsContact C-N 3.28Å; F638-D640 PolarHBondContact O-N 3.01Å; F638-D640 VanDerWaalsContact O-N 3.15Å |
| 641 | R | 67.1 | Low | 67.7 | Low | 238 Ų | 238 | 139.8 Ų | 139.8 | 90% | 0.898 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.3 | -8.6 | -171.9 | -70.7 | -166.7 | 171.8 | -142.6 | -6.5 | 117.1 | Q643 | R641-Q643 PolarHBondContact O-N 2.93Š|
| 642 | V | 69.1 | Low | 67.4 | Low | 114 Ų | 114 | 140.4 Ų | 140.4 | 69% | 0.691 | 72% | 0.722 | S | S | * | * | | | trans | -93.2 | 98.2 | 178 | -179.2 | 0 | 0 | 0 | 0 | 109.7 | F638 | F638-V642 HydrophobicContact CB-CG2 3.9Å; F638-V642 HydrophobicContact CD1-CG2 4.3Å; F638-V642 HydrophobicContact CG-CG2 4.45Å |
| 643 | Q | 63.6 | Low | 67.1 | Low | 175 Ų | 175 | 138.7 Ų | 138.7 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | | | trans | -123.3 | 127.9 | 168.4 | -72.4 | -179.7 | -33.1 | 0 | 0 | 109 | R641 K645 | R641-Q643 PolarHBondContact O-N 2.93Å; Q643-K645 PolarHBondContact O-N 3.33Å |
| 644 | S | 65.9 | Low | 67.3 | Low | 111 Ų | 111 | 140.1 Ų | 140.1 | 78% | 0.776 | 72% | 0.718 | S | S | * | * | | | trans | -70.6 | 118.9 | 171.7 | 40.3 | 0 | 0 | 0 | 0 | 110 | I646 | S644-I646 PolarHBondContact O-N 2.92Š|
| 645 | K | 69.4 | Low | 67 | Low | 207 Ų | 207 | 138 Ų | 138 | 90% | 0.9 | 72% | 0.717 | S | S | * | * | | | trans | -86.7 | 30.6 | -178.9 | -61.2 | -174.3 | 177.3 | -176.8 | 0 | 113.4 | Q643 | Q643-K645 PolarHBondContact O-N 3.33Š|
| 646 | I | 65.9 | Low | 66.9 | Low | 130 Ų | 130 | 133.8 Ų | 133.8 | 67% | 0.667 | 71% | 0.708 | S | S | * | * | | | trans | -124.8 | 102.3 | -172.4 | -58.2 | 175.6 | 0 | 0 | 0 | 107 | S644 S648 | S644-I646 PolarHBondContact O-N 2.92Å; I646-S648 PolarHBondContact O-N 3.2Å |
| 647 | G | 65 | Low | 67 | Low | 65 Ų | 65 | 132.9 Ų | 132.9 | 67% | 0.67 | 72% | 0.723 | S | S | * | * | | | trans | -83.7 | 96.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 648 | S | 62.4 | Low | 67.3 | Low | 88 Ų | 88 | 129.7 Ų | 129.7 | 62% | 0.615 | 72% | 0.723 | S | S | * | * | | | trans | -132.7 | 23.5 | -175.4 | 66.2 | 0 | 0 | 0 | 0 | 113.2 | I646 | I646-S648 PolarHBondContact O-N 3.2Š|
| 649 | L | 65.8 | Low | 67.5 | Low | 83 Ų | 83 | 128 Ų | 128 | 44% | 0.435 | 74% | 0.736 | S | S | . | * | | | trans | -111.1 | -11.9 | 175.9 | -56.9 | -179.2 | 0 | 0 | 0 | 112 | E278 N651 I652 | E278-L649 VanDerWaalsContact OE2-CD1 3.27Å; E278-L649 WeakPolarHBondContact OE2-CD1 3.36Å; L649-N651 PolarHBondContact O-N 3.02Å; L649-I652 HydrophobicContact CB-CD1 4.02Å; L649-I652 HydrophobicContact CD2-CD1 3.62Å; L649-I652 HydrophobicContact CG-CD1 4.4Å; L649-I652 WeakPolarHBondContact O-CB 3.41Å; L649-I652 WeakPolarHBondContact O-CG1 3.43Å; L649-I652 PolarHBondContact O-N 3.07Å |
| 650 | D | 66.2 | Low | 67.4 | Low | 128 Ų | 128 | 124.3 Ų | 124.3 | 68% | 0.684 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -6.5 | -168 | -49.8 | 17.7 | 0 | 0 | 0 | 114.9 | | |
| 651 | N | 61.7 | Low | 67.5 | Low | 147 Ų | 147 | 121.8 Ų | 121.8 | 79% | 0.786 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.5 | -0.5 | 178 | -69.7 | -31.7 | 0 | 0 | 0 | 114.1 | L649 T653 H654 | L649-N651 PolarHBondContact O-N 3.02Å; N651-T653 PolarHBondContact O-N 2.88Å; N651-H654 PolarHBondContact O-N 2.9Å |
| 652 | I | 65.2 | Low | 67.8 | Low | 131 Ų | 131 | 114.6 Ų | 114.6 | 67% | 0.672 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -22.5 | -173.6 | -70.1 | 175.2 | 0 | 0 | 0 | 112.6 | L649 | L649-I652 HydrophobicContact CB-CD1 4.02Å; L649-I652 HydrophobicContact CD2-CD1 3.62Å; L649-I652 HydrophobicContact CG-CD1 4.4Å; L649-I652 WeakPolarHBondContact O-CB 3.41Å; L649-I652 WeakPolarHBondContact O-CG1 3.43Å; L649-I652 PolarHBondContact O-N 3.07Å |
| 653 | T | 70 | Confident | 68.1 | Low | 125 Ų | 125 | 115 Ų | 115 | 77% | 0.767 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | 11.4 | -178 | 42.3 | 0 | 0 | 0 | 0 | 114.8 | N651 V655 | N651-T653 PolarHBondContact O-N 2.88Å; T653-V655 PolarHBondContact O-N 2.94Å |
| 654 | H | 70.4 | Confident | 68.7 | Low | 147 Ų | 147 | 111.7 Ų | 111.7 | 68% | 0.681 | 66% | 0.663 | S | S | * | * | | | trans | -73.2 | 92.5 | 176.9 | -179.9 | -81.8 | 0 | 0 | 0 | 112.4 | N651 | N651-H654 PolarHBondContact O-N 2.9Š|
| 655 | V | 70.8 | Confident | 69.3 | Low | 127 Ų | 127 | 110.7 Ų | 110.7 | 77% | 0.77 | 65% | 0.653 | S | S | * | * | | | trans | -86.4 | 120.4 | 165.5 | -177.7 | 0 | 0 | 0 | 0 | 108.7 | T653 G657 | T653-V655 PolarHBondContact O-N 2.94Å; V655-G657 PolarHBondContact O-N 2.94Å |
| 656 | P | 69.6 | Low | 69.8 | Low | 95 Ų | 95 | 108.3 Ų | 108.3 | 62% | 0.617 | 65% | 0.645 | S | S | * | * | | | trans | -69.3 | 119.5 | -179.4 | 27.3 | -33.3 | 0 | 0 | 0 | 110.9 | G658 | P656-G658 PolarHBondContact O-N 2.79Š|
| 657 | G | 69.7 | Low | 70.3 | Confident | 83 Ų | 83 | 110.6 Ų | 110.6 | 86% | 0.856 | 65% | 0.65 | S | S | * | * | | | trans | -72.9 | 47.3 | -176 | 0 | 0 | 0 | 0 | 0 | 115.7 | V655 | V655-G657 PolarHBondContact O-N 2.94Š|
| 658 | G | 74.3 | Confident | 70.8 | Confident | 71 Ų | 71 | 113.6 Ų | 113.6 | 73% | 0.732 | 65% | 0.65 | S | S | * | * | | | trans | -104.1 | 150.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | P656 | P656-G658 PolarHBondContact O-N 2.79Š|
| 659 | G | 68 | Low | 71.4 | Confident | 70 Ų | 70 | 114.1 Ų | 114.1 | 72% | 0.722 | 65% | 0.65 | S | S | * | * | | | trans | 139.7 | -17.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | K661 | G659-K661 VanDerWaalsContact C-N 3.32Å; G659-K661 PolarHBondContact O-N 2.96Å |
| 660 | N | 67.3 | Low | 71.7 | Confident | 118 Ų | 118 | 117 Ų | 117 | 63% | 0.631 | 66% | 0.659 | S | S | * | * | | | trans | -72.4 | -10.9 | -168.8 | -62.1 | -21.3 | 0 | 0 | 0 | 115.3 | T91 A92 | T91-N660 CarbonylContact C-O 3.49Å; A92-N660 HydrophobicContact CB-CB 4.18Å; A92-N660 PolarHBondContact N-O 2.7Å; A92-N660 CarbonylContact O-C 2.8Å; A92-N660 WeakPolarHBondContact O-CB 3.35Å |
| 661 | K | 70.6 | Confident | 71.8 | Confident | 105 Ų | 105 | 123 Ų | 123 | 46% | 0.457 | 67% | 0.672 | S | S | . | * | | | trans | -41.2 | 139.2 | -162.7 | -59.5 | -160.7 | 143.1 | -78.6 | 0 | 116.7 | T91 A92 E93 E94 G659 | T91-K661 WeakPolarHBondContact CA-O 3.45Å; A92-K661 WeakPolarHBondContact O-CA 3.33Å; A92-K661 PolarHBondContact O-N 2.83Å; E93-K661 WeakPolarHBondContact OE1-CA 3.38Å; E93-K661 VanDerWaalsContact OE1-CB 3.23Å; E93-K661 WeakPolarHBondContact OE1-CB 3.42Å; E93-K661 WeakPolarHBondContact OE1-CG 3.22Å; E93-K661 IonicContact OE1-NZ 2.81Å; E93-K661 PolarHBondContact OE1-NZ 3.28Å; E93-K661 IonicContact OE2-NZ 2.7Å; E93-K661 PolarHBondContact OE2-NZ 3.42Å; E94-K661 WeakPolarHBondContact OE1-CE 3.33Å; E94-K661 IonicContact OE1-NZ 2.78Å; E94-K661 PolarHBondContact OE1-NZ 2.9Å; G659-K661 VanDerWaalsContact C-N 3.32Å; G659-K661 PolarHBondContact O-N 2.96Å |
| 662 | K | 73.9 | Confident | 72.1 | Confident | 86 Ų | 86 | 123.5 Ų | 123.5 | 37% | 0.374 | 67% | 0.669 | S | S | . | * | | | cis | 88.4 | 34 | 28.8 | 61.6 | -169.8 | 156.9 | -92.1 | 0 | 111.5 | T91 A92 E93 E664 | T91-K662 VanDerWaalsContact CA-N 3.32Å; T91-K662 HydrophobicContact CG2-CB 3.97Å; T91-K662 HydrophobicContact CG2-CG 4.48Å; T91-K662 VanDerWaalsContact CG2-N 3.28Å; T91-K662 PolarHBondContact O-NZ 3.11Å; T91-K662 PolarHBondContact OG1-NZ 2.98Å; A92-K662 VanDerWaalsContact CA-CG 3.42Å; E93-K662 HydrophobicContact CG-CB 3.85Å; E93-K662 HydrophobicContact CG-CG 4.01Å; E93-K662 WeakPolarHBondContact OE1-CA 3.27Å; K662-E664 HydrophobicContact CD-CG 4.48Å; K662-E664 IonicContact NZ-OE1 3.33Å; K662-E664 PolarHBondContact NZ-OE1 3.39Å |
| 663 | I | 74.6 | Confident | 72.1 | Confident | 124 Ų | 124 | 123.8 Ų | 123.8 | 64% | 0.636 | 67% | 0.672 | S | S | * | * | | | trans | -134.8 | 83.3 | 154.2 | -48 | 178.8 | 0 | 0 | 0 | 110.6 | T665 | I663-T665 PolarHBondContact O-N 3.02Å; I663-T665 PolarHBondContact O-OG1 3.42Å |
| 664 | E | 76.6 | Confident | 71.8 | Confident | 104 Ų | 104 | 121.5 Ų | 121.5 | 49% | 0.486 | 67% | 0.666 | S | S | . | * | | | trans | -70.9 | 112 | 170.9 | -77.6 | 177.6 | -164.6 | 0 | 0 | 110.1 | T91 K662 H666 | T91-E664 HydrophobicContact CG2-CG 3.97Å; T91-E664 PolarHBondContact OG1-OE1 2.93Å; K662-E664 HydrophobicContact CD-CG 4.48Å; K662-E664 IonicContact NZ-OE1 3.33Å; K662-E664 PolarHBondContact NZ-OE1 3.39Å; E664-H666 PolarHBondContact O-N 3.39Å |
| 665 | T | 78.2 | Confident | 71.5 | Confident | 91 Ų | 91 | 123.3 Ų | 123.3 | 56% | 0.558 | 67% | 0.672 | S | S | * | * | | | trans | -94.9 | 80.9 | -167 | -58.5 | 0 | 0 | 0 | 0 | 112.6 | I663 K667 | I663-T665 PolarHBondContact O-N 3.02Å; I663-T665 PolarHBondContact O-OG1 3.42Å; T665-K667 HydrophobicContact CG2-CG 4.19Å; T665-K667 PolarHBondContact O-N 2.89Å |
| 666 | H | 79 | Confident | 71.3 | Confident | 156 Ų | 156 | 121.8 Ų | 121.8 | 72% | 0.722 | 67% | 0.672 | S | S | * | * | | | trans | -73.1 | 85.6 | 174 | -70.9 | -56.6 | 0 | 0 | 0 | 113 | E664 L668 | E664-H666 PolarHBondContact O-N 3.39Å; H666-L668 PolarHBondContact O-N 3.21Å |
| 667 | K | 77.2 | Confident | 71.2 | Confident | 178 Ų | 178 | 127.2 Ų | 127.2 | 77% | 0.774 | 69% | 0.686 | S | S | * | * | | | trans | -72.5 | 104 | 171 | -77.7 | 173.4 | -178.8 | 170.1 | 0 | 111.5 | T665 T669 | T665-K667 HydrophobicContact CG2-CG 4.19Å; T665-K667 PolarHBondContact O-N 2.89Å; K667-T669 PolarHBondContact O-N 3.23Å |
| 668 | L | 75.5 | Confident | 71 | Confident | 128 Ų | 128 | 128.8 Ų | 128.8 | 67% | 0.67 | 68% | 0.68 | S | S | * | * | | | trans | -82.1 | 105.7 | 176.9 | -66.2 | 173.5 | 0 | 0 | 0 | 112.1 | H666 F670 | H666-L668 PolarHBondContact O-N 3.21Å; L668-F670 VanDerWaalsContact C-N 3.31Å; L668-F670 HydrophobicContact CB-CD2 4Å; L668-F670 HydrophobicContact CB-CE1 4.46Å; L668-F670 HydrophobicContact CB-CE2 3.49Å; L668-F670 VanDerWaalsContact CB-CE2 3.49Å; L668-F670 HydrophobicContact CB-CZ 3.76Å; L668-F670 HydrophobicContact CD1-CE1 4.48Å; L668-F670 HydrophobicContact CD1-CE2 4.07Å; L668-F670 HydrophobicContact CD1-CZ 3.64Å; L668-F670 HydrophobicContact CG-CE2 4.44Å; L668-F670 HydrophobicContact CG-CZ 4.33Å; L668-F670 VanDerWaalsContact O-CD2 3.31Å; L668-F670 WeakPolarHBondContact O-CD2 3.43Å; L668-F670 PolarHBondContact O-N 3.25Å |
| 669 | T | 74.4 | Confident | 70.2 | Confident | 100 Ų | 100 | 132.5 Ų | 132.5 | 61% | 0.613 | 68% | 0.683 | S | S | * | * | | | trans | -82.8 | 64.1 | 179.4 | 44.7 | 0 | 0 | 0 | 0 | 113 | K667 R671 E672 | K667-T669 PolarHBondContact O-N 3.23Å; T669-R671 PolarHBondContact O-N 3.5Å; T669-E672 PolarHBondContact O-N 3.04Å |
| 670 | F | 71.6 | Confident | 69.6 | Low | 142 Ų | 142 | 137.4 Ų | 137.4 | 62% | 0.623 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -52.8 | -24.6 | -176.6 | -66.9 | -76.4 | 0 | 0 | 0 | 115.8 | L668 E672 A674 | L668-F670 VanDerWaalsContact C-N 3.31Å; L668-F670 HydrophobicContact CB-CD2 4Å; L668-F670 HydrophobicContact CB-CE1 4.46Å; L668-F670 HydrophobicContact CB-CE2 3.49Å; L668-F670 VanDerWaalsContact CB-CE2 3.49Å; L668-F670 HydrophobicContact CB-CZ 3.76Å; L668-F670 HydrophobicContact CD1-CE1 4.48Å; L668-F670 HydrophobicContact CD1-CE2 4.07Å; L668-F670 HydrophobicContact CD1-CZ 3.64Å; L668-F670 HydrophobicContact CG-CE2 4.44Å; L668-F670 HydrophobicContact CG-CZ 4.33Å; L668-F670 VanDerWaalsContact O-CD2 3.31Å; L668-F670 WeakPolarHBondContact O-CD2 3.43Å; L668-F670 PolarHBondContact O-N 3.25Å; F670-E672 VanDerWaalsContact C-N 3.27Å; F670-E672 PolarHBondContact O-N 3.36Å; F670-A674 VanDerWaalsContact O-CB 3.22Å; F670-A674 WeakPolarHBondContact O-CB 3.35Å; F670-A674 PolarHBondContact O-N 3.38Å |
| 671 | R | 69.7 | Low | 68.9 | Low | 256 Ų | 256 | 135.9 Ų | 135.9 | 97% | 0.966 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -67.4 | -20.2 | -171.7 | -54.8 | -174.6 | 87.3 | 152.5 | 4.9 | 114.6 | T669 | T669-R671 PolarHBondContact O-N 3.5Å |
| 672 | E | 66.8 | Low | 68.5 | Low | 156 Ų | 156 | 134.6 Ų | 134.6 | 73% | 0.729 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -102.8 | -34.2 | -179 | -167.7 | 163.3 | -165.7 | 0 | 0 | 112.6 | T669 F670 | T669-E672 PolarHBondContact O-N 3.04Å; F670-E672 VanDerWaalsContact C-N 3.27Å; F670-E672 PolarHBondContact O-N 3.36Å |
| 673 | N | 66.6 | Low | 67.9 | Low | 138 Ų | 138 | 139 Ų | 139 | 74% | 0.738 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -89.3 | -18.5 | -174.8 | -68 | -9.5 | 0 | 0 | 0 | 114.1 | K675 | N673-K675 PolarHBondContact O-N 3.22Å |
| 674 | A | 64.1 | Low | 67.5 | Low | 76 Ų | 76 | 139.9 Ų | 139.9 | 63% | 0.628 | 73% | 0.734 | S | S | * | * | | | trans | -90.2 | 71.7 | -177 | 0 | 0 | 0 | 0 | 0 | 113.3 | F670 A676 | F670-A674 VanDerWaalsContact O-CB 3.22Å; F670-A674 WeakPolarHBondContact O-CB 3.35Å; F670-A674 PolarHBondContact O-N 3.38Å; A674-A676 PolarHBondContact O-N 3.47Å |
| 675 | K | 63.8 | Low | 67 | Low | 185 Ų | 185 | 140.2 Ų | 140.2 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | | | trans | -80 | 114.4 | 173.4 | -68.1 | -170.4 | 178.2 | -175.9 | 0 | 111.9 | N673 | N673-K675 PolarHBondContact O-N 3.22Š|
| 676 | A | 66.7 | Low | 66.3 | Low | 95 Ų | 95 | 146.2 Ų | 146.2 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | | | trans | -65.1 | 138.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111 | A674 T678 | A674-A676 PolarHBondContact O-N 3.47Å; A676-T678 VanDerWaalsContact C-N 3.32Å; A676-T678 PolarHBondContact O-N 3.13Å |
| 677 | K | 66.6 | Low | 65.5 | Low | 209 Ų | 209 | 147.5 Ų | 147.5 | 91% | 0.909 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -89.8 | 19.8 | -174.9 | -80.4 | -173.7 | 171.5 | -179.8 | 0 | 114.7 | | |
| 678 | T | 65.7 | Low | 64.2 | Low | 117 Ų | 117 | 143.6 Ų | 143.6 | 72% | 0.718 | 76% | 0.755 | S | S | * | * | | | trans | -125.4 | 85.6 | -170.8 | -48.6 | 0 | 0 | 0 | 0 | 110.6 | A676 H680 | A676-T678 VanDerWaalsContact C-N 3.32Å; A676-T678 PolarHBondContact O-N 3.13Å; T678-H680 PolarHBondContact O-N 3.31Å |
| 679 | D | 56.8 | Low | 63.4 | Low | 149 Ų | 149 | 143.6 Ų | 143.6 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | | | trans | -79.8 | 87.5 | 168.7 | 174.8 | 26.4 | 0 | 0 | 0 | 110.4 | | |
| 680 | H | 56.1 | Low | 61.9 | Low | 173 Ų | 173 | 144.2 Ų | 144.2 | 80% | 0.801 | 77% | 0.767 | S | S | * | * | | | trans | -136.3 | 98.3 | 153.2 | -80.4 | -7.5 | 0 | 0 | 0 | 106.8 | T678 A682 | T678-H680 PolarHBondContact O-N 3.31Å; H680-A682 PolarHBondContact O-N 3.2Å |
| 681 | G | 53.4 | Low | 60.9 | Low | 86 Ų | 86 | 144.5 Ų | 144.5 | 89% | 0.887 | 78% | 0.779 | S | S | * | * | | | trans | -64.3 | 93.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 682 | A | 61.6 | Low | 59.7 | Low | 77 Ų | 77 | 136.9 Ų | 136.9 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | | | trans | -120.2 | 112.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | H680 I684 | H680-A682 PolarHBondContact O-N 3.2Å; A682-I684 PolarHBondContact O-N 3.38Å; A682-I684 VanDerWaalsContact O-N 3.07Å |
| 683 | E | 61.6 | Low | 58.7 | Low | 180 Ų | 180 | 132.1 Ų | 132.1 | 84% | 0.841 | 76% | 0.758 | S | S | * | * | | | trans | -69.2 | 101.7 | 170.7 | -66.3 | -173.2 | 160.1 | 0 | 0 | 109.4 | V685 | E683-V685 HydrophobicContact CB-CG2 4.41Å; E683-V685 PolarHBondContact O-N 2.96Å |
| 684 | I | 64.6 | Low | 57.4 | Low | 141 Ų | 141 | 133.1 Ų | 133.1 | 72% | 0.723 | 76% | 0.764 | S | S | * | * | | | trans | -78 | 79.9 | 176.6 | -56.1 | -177.7 | 0 | 0 | 0 | 109.2 | A682 Y686 | A682-I684 PolarHBondContact O-N 3.38Å; A682-I684 VanDerWaalsContact O-N 3.07Å; I684-Y686 HydrophobicContact CG2-CD2 3.9Å; I684-Y686 HydrophobicContact CG2-CE2 4.34Å; I684-Y686 PolarHBondContact O-N 3.22Å |
| 685 | V | 68 | Low | 56.6 | Low | 112 Ų | 112 | 136 Ų | 136 | 68% | 0.679 | 77% | 0.774 | S | S | * | * | | | trans | -74.5 | 99.9 | 171.1 | -179.4 | 0 | 0 | 0 | 0 | 109.3 | E683 K687 | E683-V685 HydrophobicContact CB-CG2 4.41Å; E683-V685 PolarHBondContact O-N 2.96Å; V685-K687 HydrophobicContact CG1-CG 4.27Å |
| 686 | Y | 61.6 | Low | 55.7 | Low | 217 Ų | 217 | 131.7 Ų | 131.7 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | | | trans | -91.1 | 112.8 | 164.7 | -108.4 | -86.9 | 0 | 0 | 0 | 110.6 | I684 | I684-Y686 HydrophobicContact CG2-CD2 3.9Å; I684-Y686 HydrophobicContact CG2-CE2 4.34Å; I684-Y686 PolarHBondContact O-N 3.22Å |
| 687 | K | 63.8 | Low | 55 | Low | 183 Ų | 183 | 133.2 Ų | 133.2 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -77 | 149.6 | 172 | -64.4 | 175.2 | 65.1 | 179.5 | 0 | 109.9 | V685 | V685-K687 HydrophobicContact CG1-CG 4.27Š|
| 688 | S | 48.5 | Very low | 54.4 | Low | 95 Ų | 95 | 134.1 Ų | 134.1 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 163.1 | -171.9 | 55.9 | 0 | 0 | 0 | 0 | 114.5 | | |
| 689 | P | 58.7 | Low | 53.6 | Low | 129 Ų | 129 | 136.5 Ų | 136.5 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 136 | 138.4 | -17.4 | 33.2 | 0 | 0 | 0 | 110.3 | | |
| 690 | V | 43.9 | Very low | 53.4 | Low | 113 Ų | 113 | 135.8 Ų | 135.8 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 122.9 | -178.3 | 173.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 691 | V | 51.1 | Low | 53 | Low | 147 Ų | 147 | 132.8 Ų | 132.8 | 89% | 0.891 | 76% | 0.763 | S | S | * | * | | | trans | -131.8 | 108.6 | 139.4 | -179.9 | 0 | 0 | 0 | 0 | 106.5 | | |
| 692 | S | 44.8 | Very low | 52.6 | Low | 97 Ų | 97 | 136.8 Ų | 136.8 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | | | trans | -74.8 | 159.6 | 174.2 | -46.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 693 | G | 44.8 | Very low | 52 | Low | 56 Ų | 56 | 139.8 Ų | 139.8 | 58% | 0.577 | 77% | 0.774 | S | S | * | * | | | trans | 147.2 | 19.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | T695 | G693-T695 PolarHBondContact O-N 2.58Å; G693-T695 VanDerWaalsContact O-N 3.11Å |
| 694 | D | 38.9 | Very low | 51.3 | Low | 159 Ų | 159 | 136.7 Ų | 136.7 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | | | trans | 53.1 | 46.3 | 134.7 | -45.5 | -11.8 | 0 | 0 | 0 | 119 | | |
| 695 | T | 47 | Very low | 50.5 | Low | 136 Ų | 136 | 135 Ų | 135 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | | | trans | -143.8 | 152.7 | 155 | 25.8 | 0 | 0 | 0 | 0 | 113.7 | G693 P697 | G693-T695 PolarHBondContact O-N 2.58Å; G693-T695 VanDerWaalsContact O-N 3.11Å; T695-P697 WeakPolarHBondContact O-CD 3.34Å |
| 696 | S | 45.9 | Very low | 49.4 | Very low | 94 Ų | 94 | 136.7 Ų | 136.7 | 66% | 0.657 | 78% | 0.784 | S | S | * | * | | | trans | -69.2 | 123.2 | -166 | -173.9 | 0 | 0 | 0 | 0 | 114.4 | R698 | S696-R698 PolarHBondContact O-N 3.01Š|
| 697 | P | 51.8 | Low | 49.1 | Very low | 128 Ų | 128 | 129.9 Ų | 129.9 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | | | trans | -73.4 | 92.6 | 172.1 | -16.5 | 31.8 | 0 | 0 | 0 | 111.9 | T695 | T695-P697 WeakPolarHBondContact O-CD 3.34Š|
| 698 | R | 54.4 | Low | 48.5 | Very low | 227 Ų | 227 | 127 Ų | 127 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | | | trans | -94.1 | 110.5 | 167.5 | -76.4 | -172.8 | 172.8 | 169.5 | -0.9 | 110 | S696 L700 | S696-R698 PolarHBondContact O-N 3.01Å; R698-L700 PolarHBondContact O-N 3.42Å |
| 699 | H | 48 | Very low | 49 | Very low | 167 Ų | 167 | 130 Ų | 130 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | | | trans | -88.1 | 102.2 | -165.3 | -172 | -73 | 0 | 0 | 0 | 113 | | |
| 700 | L | 52.8 | Low | 48.6 | Very low | 134 Ų | 134 | 130.2 Ų | 130.2 | 70% | 0.702 | 78% | 0.784 | S | S | * | * | | | trans | 28.8 | 119.1 | 137.2 | -49.4 | 173.8 | 0 | 0 | 0 | 118 | R698 | R698-L700 PolarHBondContact O-N 3.42Š|
| 701 | S | 47.1 | Very low | 49.2 | Very low | 111 Ų | 111 | 132.6 Ų | 132.6 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | | | | 163 | 130.3 | 93.9 | 51 | 0 | 0 | 0 | 0 | 112.7 | | |
| 702 | N | 46.7 | Very low | 49.7 | Very low | 170 Ų | 170 | 131.6 Ų | 131.6 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -166.1 | 34.5 | 149.5 | -110.9 | 2.2 | 0 | 0 | 0 | 113 | | |
| 703 | V | 47.3 | Very low | 50.5 | Low | 140 Ų | 140 | 134.6 Ų | 134.6 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | | | trans | -121.4 | 110.6 | 167.2 | -73.4 | 0 | 0 | 0 | 0 | 109.1 | | |
| 704 | S | 47.9 | Very low | 51.2 | Low | 114 Ų | 114 | 136.3 Ų | 136.3 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | | | trans | -172.6 | 145.6 | -179.2 | -91.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 705 | S | 47.3 | Very low | 52.6 | Low | 105 Ų | 105 | 133 Ų | 133 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | | | cis | -160.3 | 127.2 | -3.2 | -111.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 706 | T | 44.8 | Very low | 53.6 | Low | 149 Ų | 149 | 133.8 Ų | 133.8 | 91% | 0.914 | 78% | 0.776 | S | S | * | * | | | trans | -155.1 | 136.5 | 153.7 | 48.7 | 0 | 0 | 0 | 0 | 108.1 | | |
| 707 | G | 56.1 | Low | 54.7 | Low | 74 Ų | 74 | 136.3 Ų | 136.3 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | | | cis | 171 | 79.9 | -3.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 708 | S | 51.5 | Low | 55.5 | Low | 121 Ų | 121 | 133.6 Ų | 133.6 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | | | trans | 48.1 | 104.8 | 159.2 | -179.1 | 0 | 0 | 0 | 0 | 119.4 | | |
| 709 | I | 58.1 | Low | 56.6 | Low | 158 Ų | 158 | 126.3 Ų | 126.3 | 81% | 0.81 | 75% | 0.751 | S | S | * | * | | | trans | -145.7 | 145.9 | 144.8 | -166.2 | 59.7 | 0 | 0 | 0 | 110.6 | | |
| 710 | D | 51.3 | Low | 58.1 | Low | 135 Ų | 135 | 122.8 Ų | 122.8 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | | | trans | -68.1 | 139 | -179 | -82.2 | -71.2 | 0 | 0 | 0 | 113.1 | V712 | D710-V712 HydrophobicContact CB-CG2 4.39Š|
| 711 | M | 55.4 | Low | 59.5 | Low | 163 Ų | 163 | 119.2 Ų | 119.2 | 80% | 0.803 | 73% | 0.727 | S | S | * | * | | | trans | -110.1 | 16.6 | 170.1 | -72.6 | -170.8 | 66.7 | 0 | 0 | 113.1 | D713 | M711-D713 VanDerWaalsContact C-N 3.32Å; M711-D713 PolarHBondContact O-N 3.02Å |
| 712 | V | 61.1 | Low | 61.4 | Low | 126 Ų | 126 | 119.8 Ų | 119.8 | 76% | 0.764 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -1.1 | -164.5 | -164.1 | 0 | 0 | 0 | 0 | 113.8 | D710 | D710-V712 HydrophobicContact CB-CG2 4.39Š|
| 713 | D | 61.9 | Low | 63.3 | Low | 160 Ų | 160 | 118.4 Ų | 118.4 | 86% | 0.856 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.5 | 31.3 | -173.8 | -155.8 | 21.8 | 0 | 0 | 0 | 114.3 | M711 | M711-D713 VanDerWaalsContact C-N 3.32Å; M711-D713 PolarHBondContact O-N 3.02Å |
| 714 | S | 60.2 | Low | 65.2 | Low | 92 Ų | 92 | 116 Ų | 116 | 64% | 0.643 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -87 | 117.5 | 168.4 | -74.4 | 0 | 0 | 0 | 0 | 110.3 | Q716 | S714-Q716 PolarHBondContact O-N 3.2Š|
| 715 | P | 68 | Low | 67 | Low | 90 Ų | 90 | 114 Ų | 114 | 58% | 0.584 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 126.8 | 174.3 | 25.9 | -33.1 | 0 | 0 | 0 | 109.9 | L717 | P715-L717 PolarHBondContact O-N 3.06Š|
| 716 | Q | 67.8 | Low | 69 | Low | 152 Ų | 152 | 111.1 Ų | 111.1 | 71% | 0.71 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 135 | -178.5 | -65.6 | 177.6 | -18.2 | 0 | 0 | 110.1 | S714 A718 T719 | S714-Q716 PolarHBondContact O-N 3.2Å; Q716-A718 PolarHBondContact O-N 2.87Å; Q716-T719 WeakPolarHBondContact O-CB 3.49Å; Q716-T719 PolarHBondContact O-N 2.93Å; Q716-T719 PolarHBondContact O-OG1 2.68Å |
| 717 | L | 69.1 | Low | 71.1 | Confident | 146 Ų | 146 | 106.3 Ų | 106.3 | 76% | 0.764 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -53.2 | -28.5 | -174.2 | -63.3 | 175.5 | 0 | 0 | 0 | 113.7 | P715 T719 L720 A721 | P715-L717 PolarHBondContact O-N 3.06Å; L717-T719 VanDerWaalsContact C-N 3.27Å; L717-T719 PolarHBondContact O-N 2.91Å; L717-L720 PolarHBondContact O-N 3.26Å; L717-A721 PolarHBondContact O-N 3.08Å |
| 718 | A | 69.7 | Low | 72.6 | Confident | 72 Ų | 72 | 106.9 Ų | 106.9 | 60% | 0.595 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -53.7 | -38.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q716 L720 A721 D722 | Q716-A718 PolarHBondContact O-N 2.87Å; A718-L720 PolarHBondContact O-N 3.24Å; A718-A721 PolarHBondContact O-N 3.43Å; A718-D722 PolarHBondContact O-N 2.63Å |
| 719 | T | 77.1 | Confident | 74.3 | Confident | 73 Ų | 73 | 104.7 Ų | 104.7 | 45% | 0.448 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -67.2 | -36.1 | -179.9 | 59.5 | 0 | 0 | 0 | 0 | 112.6 | Q716 L717 D722 E723 | Q716-T719 WeakPolarHBondContact O-CB 3.49Å; Q716-T719 PolarHBondContact O-N 2.93Å; Q716-T719 PolarHBondContact O-OG1 2.68Å; L717-T719 VanDerWaalsContact C-N 3.27Å; L717-T719 PolarHBondContact O-N 2.91Å; T719-D722 PolarHBondContact O-N 2.75Å; T719-E723 PolarHBondContact O-N 3.3Å; T719-E723 VanDerWaalsContact O-N 3.13Å |
| 720 | L | 79.1 | Confident | 75.7 | Confident | 94 Ų | 94 | 105.4 Ų | 105.4 | 49% | 0.492 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -70.9 | -36 | 176.6 | -64.7 | 173.2 | 0 | 0 | 0 | 111.8 | L717 A718 D722 E723 V724 | L717-L720 PolarHBondContact O-N 3.26Å; A718-L720 PolarHBondContact O-N 3.24Å; L720-D722 VanDerWaalsContact C-N 3.34Å; L720-E723 PolarHBondContact O-N 3.05Å; L720-V724 WeakPolarHBondContact O-CG2 3.26Å; L720-V724 PolarHBondContact O-N 3.38Å |
| 721 | A | 82.5 | Confident | 76.9 | Confident | 58 Ų | 58 | 106.5 Ų | 106.5 | 48% | 0.479 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -63.3 | -39.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L717 A718 S725 | L717-A721 PolarHBondContact O-N 3.08Å; A718-A721 PolarHBondContact O-N 3.43Å; A721-S725 WeakPolarHBondContact O-CB 3.33Å; A721-S725 PolarHBondContact O-N 2.86Å; A721-S725 PolarHBondContact O-OG 2.98Å |
| 722 | D | 87.4 | Confident | 77.8 | Confident | 123 Ų | 123 | 102 Ų | 102 | 66% | 0.658 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.3 | -41.3 | 176.5 | -128 | 22.3 | 0 | 0 | 0 | 111.4 | A718 T719 L720 S725 A726 | A718-D722 PolarHBondContact O-N 2.63Å; T719-D722 PolarHBondContact O-N 2.75Å; L720-D722 VanDerWaalsContact C-N 3.34Å; D722-S725 PolarHBondContact O-N 3.31Å; D722-A726 WeakPolarHBondContact O-CB 3.38Å; D722-A726 PolarHBondContact O-N 3.07Å |
| 723 | E | 85.4 | Confident | 77.6 | Confident | 141 Ų | 141 | 104.6 Ų | 104.6 | 66% | 0.659 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70.6 | -34.9 | -179.5 | -153.5 | 179.5 | 117.2 | 0 | 0 | 113.1 | T719 L720 S727 | T719-E723 PolarHBondContact O-N 3.3Å; T719-E723 VanDerWaalsContact O-N 3.13Å; L720-E723 PolarHBondContact O-N 3.05Å; E723-S727 WeakPolarHBondContact O-CB 3.21Å; E723-S727 PolarHBondContact O-N 2.63Å; E723-S727 VanDerWaalsContact O-N 3.08Å; E723-S727 PolarHBondContact O-OG 3.15Å |
| 724 | V | 86.6 | Confident | 78.4 | Confident | 89 Ų | 89 | 101.9 Ų | 101.9 | 54% | 0.539 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65.2 | -45 | 170.2 | 170.6 | 0 | 0 | 0 | 0 | 110.8 | L720 S727 L728 | L720-V724 WeakPolarHBondContact O-CG2 3.26Å; L720-V724 PolarHBondContact O-N 3.38Å; V724-S727 WeakPolarHBondContact O-CA 3.1Å; V724-S727 WeakPolarHBondContact O-CB 3.19Å; V724-S727 PolarHBondContact O-N 3.38Å; V724-L728 HydrophobicContact CG1-CD1 4.27Å; V724-L728 PolarHBondContact O-N 3.07Å |
| 725 | S | 87.3 | Confident | 79.3 | Confident | 72 Ų | 72 | 102.4 Ų | 102.4 | 50% | 0.503 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -62 | -45.5 | 178.3 | -59.6 | 0 | 0 | 0 | 0 | 111.7 | A721 D722 S727 L728 A729 | A721-S725 WeakPolarHBondContact O-CB 3.33Å; A721-S725 PolarHBondContact O-N 2.86Å; A721-S725 PolarHBondContact O-OG 2.98Å; D722-S725 PolarHBondContact O-N 3.31Å; S725-S727 PolarHBondContact O-N 2.86Å; S725-L728 PolarHBondContact O-N 3.33Å; S725-A729 WeakPolarHBondContact O-CB 3.45Å; S725-A729 PolarHBondContact O-N 2.82Å; S725-A729 VanDerWaalsContact O-N 3.07Å |
| 726 | A | 88.9 | Confident | 80 | Confident | 45 Ų | 45 | 103.1 Ų | 103.1 | 37% | 0.372 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -64.3 | -21.3 | 174 | 0 | 0 | 0 | 0 | 0 | 113.4 | D722 K730 | D722-A726 WeakPolarHBondContact O-CB 3.38Å; D722-A726 PolarHBondContact O-N 3.07Å; A726-K730 WeakPolarHBondContact O-CD 3.48Å; A726-K730 VanDerWaalsContact O-CG 3.26Å; A726-K730 WeakPolarHBondContact O-CG 3.39Å; A726-K730 PolarHBondContact O-N 2.76Å |
| 727 | S | 88 | Confident | 80.7 | Confident | 49 Ų | 49 | 100.2 Ų | 100.2 | 34% | 0.343 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -85.6 | -38.1 | 177.2 | -63.7 | 0 | 0 | 0 | 0 | 112.8 | E723 V724 S725 K730 Q731 | E723-S727 WeakPolarHBondContact O-CB 3.21Å; E723-S727 PolarHBondContact O-N 2.63Å; E723-S727 VanDerWaalsContact O-N 3.08Å; E723-S727 PolarHBondContact O-OG 3.15Å; V724-S727 WeakPolarHBondContact O-CA 3.1Å; V724-S727 WeakPolarHBondContact O-CB 3.19Å; V724-S727 PolarHBondContact O-N 3.38Å; S725-S727 PolarHBondContact O-N 2.86Å; S727-K730 PolarHBondContact O-N 2.96Å; S727-Q731 PolarHBondContact O-N 2.87Å |
| 728 | L | 88.4 | Confident | 81.4 | Confident | 85 Ų | 85 | 97.3 Ų | 97.3 | 45% | 0.445 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.5 | -45.9 | 168.5 | -98.5 | 75.7 | 0 | 0 | 0 | 111 | V724 S725 K730 Q731 G732 L733 | V724-L728 HydrophobicContact CG1-CD1 4.27Å; V724-L728 PolarHBondContact O-N 3.07Å; S725-L728 PolarHBondContact O-N 3.33Å; L728-K730 PolarHBondContact O-N 2.9Å; L728-K730 VanDerWaalsContact O-N 3.15Å; L728-Q731 CarbonylContact O-C 3.56Å; L728-Q731 WeakPolarHBondContact O-CA 3.2Å; L728-Q731 PolarHBondContact O-N 2.76Å; L728-G732 PolarHBondContact O-N 3.44Å; L728-L733 HydrophobicContact CD2-CB 4.32Å; L728-L733 HydrophobicContact CG-CB 4.44Å |
| 729 | A | 86.8 | Confident | 82.2 | Confident | 76 Ų | 76 | 99 Ų | 99 | 63% | 0.628 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -58.8 | -28.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S725 | S725-A729 WeakPolarHBondContact O-CB 3.45Å; S725-A729 PolarHBondContact O-N 2.82Å; S725-A729 VanDerWaalsContact O-N 3.07Å |
| 730 | K | 86.7 | Confident | 82.5 | Confident | 173 Ų | 173 | 100.9 Ų | 100.9 | 75% | 0.752 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -78.4 | -22.2 | 172.6 | -75.3 | 166.6 | -172.5 | 163.5 | 0 | 113.9 | A726 S727 L728 | A726-K730 WeakPolarHBondContact O-CD 3.48Å; A726-K730 VanDerWaalsContact O-CG 3.26Å; A726-K730 WeakPolarHBondContact O-CG 3.39Å; A726-K730 PolarHBondContact O-N 2.76Å; S727-K730 PolarHBondContact O-N 2.96Å; L728-K730 PolarHBondContact O-N 2.9Å; L728-K730 VanDerWaalsContact O-N 3.15Å |
| 731 | Q | 78.5 | Confident | 82.8 | Confident | 157 Ų | 157 | 101.4 Ų | 101.4 | 73% | 0.734 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -92 | -15.3 | 175.5 | -66.4 | -170.5 | 10.5 | 0 | 0 | 113.2 | S727 L728 L733 | S727-Q731 PolarHBondContact O-N 2.87Å; L728-Q731 CarbonylContact O-C 3.56Å; L728-Q731 WeakPolarHBondContact O-CA 3.2Å; L728-Q731 PolarHBondContact O-N 2.76Å; Q731-L733 HydrophobicContact CB-CD1 4.36Å |
| 732 | G | 72.3 | Confident | 82.8 | Confident | 68 Ų | 68 | 105 Ų | 105 | 70% | 0.701 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 79.9 | 32.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L728 | L728-G732 PolarHBondContact O-N 3.44Š|
| 733 | L | 57.7 | Low | 82.4 | Confident | 182 Ų | 182 | 103.4 Ų | 103.4 | 95% | 0.953 | 60% | 0.603 | S | S | * | * | | | trans | -89.2 | 0 | 161.7 | -84.7 | 79.2 | 0 | 0 | 0 | 110.1 | L728 Q731 | L728-L733 HydrophobicContact CD2-CB 4.32Å; L728-L733 HydrophobicContact CG-CB 4.44Å; Q731-L733 HydrophobicContact CB-CD1 4.36Å |