| 1 | M | 44.2 | Very low | 53.8 | Low | 243 Ų | 243 | 146.2 Ų | 146.2 | 100% | 1.197 | 81% | 0.812 | S | S | * | * | | | | 0 | 115.4 | 0 | -64.2 | -60.6 | -95.6 | 0 | 0 | 107.7 | | |
| 2 | G | 46 | Very low | 54.4 | Low | 84 Ų | 84 | 147.7 Ų | 147.7 | 87% | 0.866 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 143.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | N4 | G2-N4 PolarHBondContact O-N 2.8Š|
| 3 | T | 56.6 | Low | 54.6 | Low | 139 Ų | 139 | 148.5 Ų | 148.5 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 122.1 | 170.9 | 48.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 4 | N | 47.8 | Very low | 55.3 | Low | 137 Ų | 137 | 145.4 Ų | 145.4 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 123.1 | -178.7 | -166.4 | -7.4 | 0 | 0 | 0 | 110.7 | G2 K6 | G2-N4 PolarHBondContact O-N 2.8Å; N4-K6 PolarHBondContact O-N 2.65Å |
| 5 | P | 57 | Low | 55.4 | Low | 104 Ų | 104 | 142.8 Ų | 142.8 | 68% | 0.675 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 134 | -179 | 25.5 | -34.4 | 0 | 0 | 0 | 111.3 | R7 | P5-R7 PolarHBondContact O-N 2.66Å; P5-R7 VanDerWaalsContact O-N 3.11Å |
| 6 | K | 55.1 | Low | 55.2 | Low | 202 Ų | 202 | 146.3 Ų | 146.3 | 88% | 0.878 | 80% | 0.796 | S | S | * | * | | | trans | -59.4 | 114.6 | 179.7 | -64 | -179.4 | 179.9 | -177.9 | 0 | 109.9 | N4 T8 | N4-K6 PolarHBondContact O-N 2.65Å; K6-T8 PolarHBondContact O-N 2.76Å; K6-T8 VanDerWaalsContact O-N 3.09Å |
| 7 | R | 57.5 | Low | 55 | Low | 227 Ų | 227 | 147 Ų | 147 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | | | trans | -75.4 | 93.6 | 173.4 | -69.7 | -177.4 | 178.7 | 172.8 | -2.4 | 109.7 | P5 V9 | P5-R7 PolarHBondContact O-N 2.66Å; P5-R7 VanDerWaalsContact O-N 3.11Å; R7-V9 PolarHBondContact O-N 3.44Å |
| 8 | T | 63.4 | Low | 54.5 | Low | 112 Ų | 112 | 144.3 Ų | 144.3 | 69% | 0.687 | 80% | 0.799 | S | S | * | * | | | trans | -68.7 | 110.4 | 168.7 | -53.2 | 0 | 0 | 0 | 0 | 109 | K6 T10 | K6-T8 PolarHBondContact O-N 2.76Å; K6-T8 VanDerWaalsContact O-N 3.09Å; T8-T10 HydrophobicContact CG2-CG2 4.21Å |
| 9 | V | 58.2 | Low | 54 | Low | 123 Ų | 123 | 144.2 Ų | 144.2 | 75% | 0.745 | 80% | 0.802 | S | S | * | * | | | trans | -90.5 | 108.3 | 173.4 | -179.9 | 0 | 0 | 0 | 0 | 108.6 | R7 V11 | R7-V9 PolarHBondContact O-N 3.44Å; V9-V11 HydrophobicContact CG1-CG2 4.33Å |
| 10 | T | 56.4 | Low | 53.6 | Low | 121 Ų | 121 | 141.6 Ų | 141.6 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | | | trans | -91.2 | 102.6 | 175.9 | 50.3 | 0 | 0 | 0 | 0 | 110.2 | T8 Q12 | T8-T10 HydrophobicContact CG2-CG2 4.21Å; T10-Q12 PolarHBondContact O-N 2.91Å |
| 11 | V | 49.8 | Very low | 52.8 | Low | 116 Ų | 116 | 141.4 Ų | 141.4 | 70% | 0.703 | 80% | 0.797 | S | S | * | * | | | trans | -81 | 103.4 | 172.9 | -177.8 | 0 | 0 | 0 | 0 | 109 | V9 M13 | V9-V11 HydrophobicContact CG1-CG2 4.33Å; V11-M13 HydrophobicContact CG1-CE 4.36Å; V11-M13 HydrophobicContact CG1-CG 4.44Å |
| 12 | Q | 60.3 | Low | 53.1 | Low | 164 Ų | 164 | 135.5 Ų | 135.5 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | | | trans | -91.5 | 106.1 | 175 | -172 | 173.3 | 11.2 | 0 | 0 | 110 | T10 V14 | T10-Q12 PolarHBondContact O-N 2.91Å; Q12-V14 HydrophobicContact CG-CG2 4.17Å; Q12-V14 PolarHBondContact O-N 3.42Å |
| 13 | M | 56.8 | Low | 53.1 | Low | 158 Ų | 158 | 138.6 Ų | 138.6 | 78% | 0.778 | 77% | 0.773 | S | S | * | * | | | trans | -81.7 | 106.7 | 171.7 | -64.5 | -85.5 | 72.6 | 0 | 0 | 109.3 | V11 P15 | V11-M13 HydrophobicContact CG1-CE 4.36Å; V11-M13 HydrophobicContact CG1-CG 4.44Å; M13-P15 WeakPolarHBondContact O-CD 3.26Å |
| 14 | V | 64.9 | Low | 52.3 | Low | 106 Ų | 106 | 136.8 Ų | 136.8 | 64% | 0.642 | 77% | 0.772 | S | S | * | * | | | trans | -91.5 | 116.1 | 173.6 | -179.3 | 0 | 0 | 0 | 0 | 108.5 | Q12 Q16 | Q12-V14 HydrophobicContact CG-CG2 4.17Å; Q12-V14 PolarHBondContact O-N 3.42Å; V14-Q16 PolarHBondContact O-N 3.09Å |
| 15 | P | 56.6 | Low | 51.9 | Low | 106 Ų | 106 | 137.2 Ų | 137.2 | 69% | 0.688 | 77% | 0.774 | S | S | * | * | | | trans | -64 | 125.7 | 170.8 | -18.4 | 32.1 | 0 | 0 | 0 | 109.4 | M13 L17 | M13-P15 WeakPolarHBondContact O-CD 3.26Å; P15-L17 PolarHBondContact O-N 3.09Å; P15-L17 VanDerWaalsContact O-N 3.08Å |
| 16 | Q | 53.2 | Low | 51.5 | Low | 199 Ų | 199 | 140.6 Ų | 140.6 | 93% | 0.93 | 78% | 0.778 | S | S | * | * | | | trans | -69.4 | 108.2 | 174.4 | -65.9 | -167.2 | 41.3 | 0 | 0 | 109.3 | V14 A18 | V14-Q16 PolarHBondContact O-N 3.09Å; Q16-A18 PolarHBondContact O-N 3.3Å |
| 17 | L | 51.1 | Low | 50.8 | Low | 158 Ų | 158 | 137.8 Ų | 137.8 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | | | trans | -68.8 | 125.9 | 169.3 | -67.8 | 174.5 | 0 | 0 | 0 | 108.6 | P15 V19 | P15-L17 PolarHBondContact O-N 3.09Å; P15-L17 VanDerWaalsContact O-N 3.08Å; L17-V19 PolarHBondContact O-N 3.14Å |
| 18 | A | 46.2 | Very low | 50.2 | Low | 98 Ų | 98 | 133.2 Ų | 133.2 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | | | trans | -60.6 | 126.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q16 A20 | Q16-A18 PolarHBondContact O-N 3.3Å; A18-A20 PolarHBondContact O-N 3.03Å |
| 19 | V | 44.8 | Very low | 48.9 | Very low | 143 Ų | 143 | 135.8 Ų | 135.8 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | | | trans | -72.7 | 98.3 | 175.5 | 179.5 | 0 | 0 | 0 | 0 | 108.4 | L17 D21 | L17-V19 PolarHBondContact O-N 3.14Å; V19-D21 PolarHBondContact O-N 3.33Å |
| 20 | A | 46.1 | Very low | 48.2 | Very low | 91 Ų | 91 | 134.1 Ų | 134.1 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | | | trans | -75.7 | 113.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | A18 P22 | A18-A20 PolarHBondContact O-N 3.03Å; A20-P22 WeakPolarHBondContact O-CD 3.28Å |
| 21 | D | 36.2 | Very low | 47.3 | Very low | 138 Ų | 138 | 135.2 Ų | 135.2 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | | | trans | -71.2 | 118.7 | -178.8 | -174.3 | 17.3 | 0 | 0 | 0 | 111.5 | V19 L23 | V19-D21 PolarHBondContact O-N 3.33Å; D21-L23 VanDerWaalsContact C-N 3.32Å; D21-L23 PolarHBondContact O-N 3.17Å |
| 22 | P | 50.9 | Low | 46.7 | Very low | 119 Ų | 119 | 141.7 Ų | 141.7 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -86.1 | 57.1 | -169.1 | 35.8 | -37.8 | 0 | 0 | 0 | 113.6 | A20 | A20-P22 WeakPolarHBondContact O-CD 3.28Š|
| 23 | L | 46.6 | Very low | 45.5 | Very low | 149 Ų | 149 | 136.3 Ų | 136.3 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | | | trans | -141.9 | 50 | 179.4 | -152.4 | 74.2 | 0 | 0 | 0 | 116 | D21 | D21-L23 VanDerWaalsContact C-N 3.32Å; D21-L23 PolarHBondContact O-N 3.17Å |
| 24 | A | 39.9 | Very low | 44.6 | Very low | 102 Ų | 102 | 136.7 Ų | 136.7 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | | | trans | -143 | 64.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 25 | N | 38.1 | Very low | 43.2 | Very low | 145 Ų | 145 | 139.1 Ų | 139.1 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | | | trans | -127.4 | 67.2 | -177.7 | 63.3 | -22.6 | 0 | 0 | 0 | 114.5 | | |
| 26 | K | 48.5 | Very low | 42.3 | Very low | 175 Ų | 175 | 140 Ų | 140 | 76% | 0.761 | 80% | 0.8 | S | S | * | * | | | trans | -145.9 | 139 | 165.6 | -79.5 | 178.3 | 158.6 | -87.4 | 0 | 109 | | |
| 27 | E | 40.8 | Very low | 41.5 | Very low | 144 Ų | 144 | 137.1 Ų | 137.1 | 67% | 0.673 | 79% | 0.786 | S | S | * | * | | | cis | -176.5 | 128.3 | -21.2 | 53.7 | -161.5 | 109.5 | 0 | 0 | 103.6 | | |
| 28 | S | 45.5 | Very low | 40.8 | Very low | 131 Ų | 131 | 136.4 Ų | 136.4 | 92% | 0.916 | 78% | 0.783 | S | S | * | * | | | trans | -163.8 | 98.1 | 169.5 | -84.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 29 | N | 34.8 | Very low | 40.2 | Very low | 165 Ų | 165 | 140.4 Ų | 140.4 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | | | trans | -87.8 | 125.4 | 176.3 | 177.9 | 7.5 | 0 | 0 | 0 | 109.2 | | |
| 30 | A | 44.9 | Very low | 39.6 | Very low | 88 Ų | 88 | 141.6 Ų | 141.6 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | trans | -129.7 | 107.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 31 | N | 36.4 | Very low | 39 | Very low | 145 Ų | 145 | 142.4 Ų | 142.4 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | | | trans | -46.4 | 154.1 | 180 | -171.9 | 39.8 | 0 | 0 | 0 | 116.5 | | |
| 32 | W | 37.8 | Very low | 38.8 | Very low | 251 Ų | 251 | 144.2 Ų | 144.2 | 95% | 0.951 | 79% | 0.786 | S | S | * | * | | | trans | -116.8 | 136.4 | 166.1 | -84.2 | 88.4 | 0 | 0 | 0 | 110.8 | | |
| 33 | G | 35.2 | Very low | 37.6 | Very low | 51 Ų | 51 | 144.5 Ų | 144.5 | 53% | 0.526 | 79% | 0.786 | S | S | . | * | | | trans | 140.5 | 140.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 34 | D | 37.1 | Very low | 36.7 | Very low | 167 Ų | 167 | 142.9 Ų | 142.9 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | | | cis | -143.9 | -173.2 | 8.8 | -86.2 | -43.1 | 0 | 0 | 0 | 113 | | |
| 35 | E | 37.5 | Very low | 37.4 | Very low | 157 Ų | 157 | 143.6 Ų | 143.6 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | | | trans | -61.2 | 155.1 | -167.6 | -52.7 | 177 | 126.2 | 0 | 0 | 116.9 | H37 | E35-H37 WeakPolarHBondContact CB-NE2 3.42Å; E35-H37 IonicContact OE2-CD2 3.82Å; E35-H37 IonicContact OE2-CE1 3.57Å; E35-H37 IonicContact OE2-NE2 2.75Å; E35-H37 PolarHBondContact OE2-NE2 2.99Å |
| 36 | S | 35.7 | Very low | 37.1 | Very low | 124 Ų | 124 | 144.1 Ų | 144.1 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | | | trans | -106.2 | 97.3 | 178.6 | 50.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 37 | H | 37.3 | Very low | 36.1 | Very low | 138 Ų | 138 | 139.8 Ų | 139.8 | 64% | 0.639 | 78% | 0.781 | S | S | * | * | | | trans | -102 | 108.6 | -177.2 | -67.1 | -75.9 | 0 | 0 | 0 | 114.4 | E35 | E35-H37 WeakPolarHBondContact CB-NE2 3.42Å; E35-H37 IonicContact OE2-CD2 3.82Å; E35-H37 IonicContact OE2-CE1 3.57Å; E35-H37 IonicContact OE2-NE2 2.75Å; E35-H37 PolarHBondContact OE2-NE2 2.99Å |
| 38 | L | 36.4 | Very low | 35.4 | Very low | 144 Ų | 144 | 137 Ų | 137 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | | | trans | 59.4 | 124.8 | 143.6 | -64.7 | 167.8 | 0 | 0 | 0 | 123 | | |
| 39 | K | 33.6 | Very low | 34.7 | Very low | 182 Ų | 182 | 138 Ų | 138 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | | | trans | 71.8 | 98.5 | 138.5 | -67.3 | -178.5 | 175.9 | -177.5 | 0 | 122.6 | | |
| 40 | L | 31.8 | Very low | 34.4 | Very low | 168 Ų | 168 | 136.7 Ų | 136.7 | 88% | 0.88 | 78% | 0.775 | S | S | * | * | | | | 45.5 | 92.7 | 101.7 | -159.8 | 154.7 | 0 | 0 | 0 | 120.1 | | |
| 41 | S | 33.7 | Very low | 33.7 | Very low | 107 Ų | 107 | 137.5 Ų | 137.5 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | trans | -174.4 | 128.6 | 140.1 | 52.7 | 0 | 0 | 0 | 0 | 106.9 | | |
| 42 | Q | 31.5 | Very low | 33.3 | Very low | 176 Ų | 176 | 135 Ų | 135 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | | | | 72.7 | 128.2 | 53.6 | -146.9 | -166.8 | 9.9 | 0 | 0 | 114.9 | | |
| 43 | V | 26.7 | Very low | 32.8 | Very low | 126 Ų | 126 | 131.7 Ų | 131.7 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | | | trans | 83.1 | 129.9 | 169.7 | -169.1 | 0 | 0 | 0 | 0 | 117.9 | | |
| 44 | C | 26.7 | Very low | 32.7 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 78% | 0.777 | 77% | 0.773 | S | S | * | * | | | trans | -118.3 | 174.3 | 163 | -40.6 | 0 | 0 | 0 | 0 | 107.9 | | |
| 45 | P | 54.9 | Low | 32.3 | Very low | 117 Ų | 117 | 135.7 Ų | 135.7 | 76% | 0.76 | 76% | 0.761 | S | S | * | * | | | cis | -138.5 | -174.4 | -1.7 | 36.5 | -15.2 | 0 | 0 | 0 | 115.4 | | |
| 46 | N | 31.9 | Very low | 31.9 | Very low | 155 Ų | 155 | 134.6 Ų | 134.6 | 83% | 0.829 | 76% | 0.761 | S | S | * | * | | | trans | 94.5 | 139.1 | 136.5 | -139.3 | 6.6 | 0 | 0 | 0 | 122.5 | | |
| 47 | A | 27.1 | Very low | 31.8 | Very low | 84 Ų | 84 | 135.1 Ų | 135.1 | 69% | 0.694 | 75% | 0.754 | S | S | * | * | | | trans | 68.6 | 128 | 146.9 | 0 | 0 | 0 | 0 | 0 | 124.4 | | |
| 48 | A | 27.3 | Very low | 33 | Very low | 87 Ų | 87 | 133.7 Ų | 133.7 | 72% | 0.719 | 76% | 0.757 | S | S | * | * | | | trans | 90.2 | 110.6 | 131.4 | 0 | 0 | 0 | 0 | 0 | 123.5 | | |
| 49 | L | 31.2 | Very low | 33.8 | Very low | 152 Ų | 152 | 132.2 Ų | 132.2 | 80% | 0.796 | 76% | 0.756 | S | S | * | * | | | | 73.3 | 111.4 | 124.6 | -64.9 | 174.7 | 0 | 0 | 0 | 123.2 | | |
| 50 | T | 28.3 | Very low | 33.7 | Very low | 136 Ų | 136 | 129.4 Ų | 129.4 | 83% | 0.834 | 75% | 0.754 | S | S | * | * | | | trans | 68.9 | 165.8 | 144 | 73.1 | 0 | 0 | 0 | 0 | 117 | | |
| 51 | S | 29.5 | Very low | 33.6 | Very low | 106 Ų | 106 | 127.3 Ų | 127.3 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | | | cis | -149.6 | 141.5 | 0.2 | 90.9 | 0 | 0 | 0 | 0 | 108.6 | | |
| 52 | S | 28.2 | Very low | 33.5 | Very low | 92 Ų | 92 | 125.4 Ų | 125.4 | 64% | 0.643 | 75% | 0.751 | S | S | * | * | | | | 93.7 | 124.3 | 82.7 | -180 | 0 | 0 | 0 | 0 | 116.3 | | |
| 53 | K | 28.2 | Very low | 33.5 | Very low | 182 Ų | 182 | 121.4 Ų | 121.4 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | | | trans | 66.7 | 161.2 | 166.4 | -66.9 | 174.6 | 179.5 | -177 | 0 | 116 | | |
| 54 | Q | 32.1 | Very low | 33.8 | Very low | 160 Ų | 160 | 122.1 Ų | 122.1 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | | | cis | -145.5 | 136.6 | 16.7 | 176.6 | 176.9 | -12.8 | 0 | 0 | 107.3 | D56 | Q54-D56 PolarHBondContact NE2-OD2 3.13Š|
| 55 | Q | 29.3 | Very low | 34.1 | Very low | 141 Ų | 141 | 120.9 Ų | 120.9 | 66% | 0.659 | 75% | 0.751 | S | S | * | * | | | cis | 74.3 | 93.5 | 31.3 | -164.7 | -177.1 | 20.3 | 0 | 0 | 116.5 | | |
| 56 | D | 28.3 | Very low | 32.9 | Very low | 134 Ų | 134 | 122.5 Ų | 122.5 | 72% | 0.717 | 75% | 0.753 | S | S | * | * | | | trans | -153.3 | 92.5 | 153.3 | -95.1 | -52.8 | 0 | 0 | 0 | 113.6 | Q54 | Q54-D56 PolarHBondContact NE2-OD2 3.13Š|
| 57 | N | 33.8 | Very low | 33.8 | Very low | 135 Ų | 135 | 119.9 Ų | 119.9 | 72% | 0.722 | 74% | 0.744 | S | S | * | * | | | trans | 28 | 162 | 145.8 | -75.3 | -29.8 | 0 | 0 | 0 | 126.8 | | |
| 58 | P | 63.6 | Low | 34.2 | Very low | 109 Ų | 109 | 121.4 Ų | 121.4 | 71% | 0.708 | 74% | 0.744 | S | S | * | * | | | trans | -109.8 | -156.8 | -164.7 | 42.4 | -28 | 0 | 0 | 0 | 113 | | |
| 59 | P | 52 | Low | 35.3 | Very low | 113 Ų | 113 | 123.2 Ų | 123.2 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | | | | -155.4 | -167.7 | 75.5 | 32.5 | -5.8 | 0 | 0 | 0 | 117.8 | | |
| 60 | V | 32.4 | Very low | 35.3 | Very low | 122 Ų | 122 | 123.3 Ų | 123.3 | 74% | 0.739 | 75% | 0.745 | S | S | * | * | | | trans | 107 | 93.8 | 150.4 | -167.3 | 0 | 0 | 0 | 0 | 120.6 | | |
| 61 | S | 29.9 | Very low | 35.5 | Very low | 124 Ų | 124 | 121.8 Ų | 121.8 | 87% | 0.867 | 73% | 0.731 | S | S | * | * | | | trans | 73 | 142.4 | 133 | -59.8 | 0 | 0 | 0 | 0 | 125 | | |
| 62 | G | 31.3 | Very low | 35.6 | Very low | 68 Ų | 68 | 125 Ų | 125 | 70% | 0.701 | 73% | 0.734 | S | S | * | * | | | trans | 116.2 | 77.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 63 | A | 31.6 | Very low | 35.9 | Very low | 92 Ų | 92 | 129.2 Ų | 129.2 | 76% | 0.76 | 74% | 0.74 | S | S | * | * | | | | 48 | 118.5 | 61 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 64 | T | 32.4 | Very low | 36 | Very low | 141 Ų | 141 | 125.7 Ų | 125.7 | 87% | 0.865 | 74% | 0.739 | S | S | * | * | | | cis | -157.4 | 169 | 10.2 | -15.2 | 0 | 0 | 0 | 0 | 107.7 | | |
| 65 | A | 32.7 | Very low | 36 | Very low | 89 Ų | 89 | 123.1 Ų | 123.1 | 74% | 0.736 | 74% | 0.738 | S | S | * | * | | | cis | -153.4 | -149.3 | 14.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 66 | N | 30.1 | Very low | 36 | Very low | 151 Ų | 151 | 120.4 Ų | 120.4 | 81% | 0.807 | 74% | 0.735 | S | S | * | * | | | trans | -164.2 | -177.1 | -172.4 | -131.6 | -24.9 | 0 | 0 | 0 | 106.9 | | |
| 67 | P | 49.6 | Very low | 36.1 | Very low | 100 Ų | 100 | 124.5 Ų | 124.5 | 65% | 0.649 | 74% | 0.742 | S | S | * | * | | | cis | -141.3 | 179.8 | -15.6 | 44.4 | -26.1 | 0 | 0 | 0 | 116.3 | | |
| 68 | V | 36.2 | Very low | 36 | Very low | 115 Ų | 115 | 127.8 Ų | 127.8 | 70% | 0.697 | 75% | 0.75 | S | S | * | * | | | trans | 31 | 132.3 | 130.1 | 178.8 | 0 | 0 | 0 | 0 | 119.4 | H70 | V68-H70 HydrophobicContact CG1-CB 4.31Š|
| 69 | P | 50.7 | Low | 34.2 | Very low | 126 Ų | 126 | 126 Ų | 126 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | | | | -150.7 | -168 | 64.3 | 33.6 | -9.5 | 0 | 0 | 0 | 118.5 | | |
| 70 | H | 31.4 | Very low | 33 | Very low | 154 Ų | 154 | 124.4 Ų | 124.4 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | | | cis | 169.4 | 145.3 | -47.5 | -166.6 | 31.2 | 0 | 0 | 0 | 111.2 | V68 | V68-H70 HydrophobicContact CG1-CB 4.31Š|
| 71 | I | 31.8 | Very low | 32.6 | Very low | 103 Ų | 103 | 128 Ų | 128 | 53% | 0.528 | 76% | 0.764 | S | S | . | * | | | trans | 72.6 | 151 | 168.2 | -37.8 | -168.8 | 0 | 0 | 0 | 113.9 | K73 | I71-K73 HydrophobicContact CG2-CD 4.43Š|
| 72 | H | 32.8 | Very low | 32.5 | Very low | 173 Ų | 173 | 126.2 Ų | 126.2 | 80% | 0.801 | 76% | 0.757 | S | S | * | * | | | cis | -129.9 | 154.5 | 21.3 | -57.5 | -114.1 | 0 | 0 | 0 | 112 | | |
| 73 | K | 33.3 | Very low | 32.3 | Very low | 181 Ų | 181 | 129.3 Ų | 129.3 | 79% | 0.787 | 76% | 0.761 | S | S | * | * | | | cis | 75.4 | 140.4 | 33 | -76.3 | -169.3 | 174.6 | -179.4 | 0 | 115.5 | I71 | I71-K73 HydrophobicContact CG2-CD 4.43Š|
| 74 | S | 31.3 | Very low | 32.1 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | | | cis | -119.9 | -151.5 | 2.3 | -60.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 75 | S | 31.5 | Very low | 32 | Very low | 106 Ų | 106 | 128.1 Ų | 128.1 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | | | cis | -161.8 | 149.1 | 0.4 | 17.6 | 0 | 0 | 0 | 0 | 107.4 | | |
| 76 | S | 28.7 | Very low | 31.8 | Very low | 85 Ų | 85 | 128.2 Ų | 128.2 | 59% | 0.594 | 75% | 0.754 | S | S | * | * | | | | 65.4 | 129.4 | 66.6 | -151.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 77 | Y | 31 | Very low | 31.8 | Very low | 220 Ų | 220 | 128.1 Ų | 128.1 | 86% | 0.863 | 76% | 0.759 | S | S | * | * | | | cis | -115.8 | -150.8 | 11.7 | -65.3 | -97.6 | 0 | 0 | 0 | 110.7 | | |
| 78 | K | 31.4 | Very low | 31 | Very low | 204 Ų | 204 | 127.7 Ų | 127.7 | 89% | 0.887 | 76% | 0.764 | S | S | * | * | | | cis | -160.1 | 169.6 | 5.7 | -157.5 | -172.3 | 177 | -173.2 | 0 | 110.3 | | |
| 79 | G | 25.4 | Very low | 30.6 | Very low | 70 Ų | 70 | 129.5 Ų | 129.5 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | | | trans | -83.9 | -170.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 80 | G | 27.6 | Very low | 30.2 | Very low | 80 Ų | 80 | 131.3 Ų | 131.3 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | | | cis | -175.1 | -167.1 | 8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 81 | E | 24.8 | Very low | 31.2 | Very low | 199 Ų | 199 | 129.4 Ų | 129.4 | 93% | 0.93 | 77% | 0.77 | S | S | * | * | | | trans | -70.2 | 159.9 | -173 | -70.4 | 171.4 | 76 | 0 | 0 | 116.4 | | |
| 82 | A | 27.7 | Very low | 31.4 | Very low | 86 Ų | 86 | 129.3 Ų | 129.3 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | | | | 140.4 | 120.1 | 117.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 83 | V | 25.5 | Very low | 31.3 | Very low | 132 Ų | 132 | 124.9 Ų | 124.9 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | | | trans | 56.9 | 123.6 | 130.2 | -177 | 0 | 0 | 0 | 0 | 122.2 | | |
| 84 | S | 28.5 | Very low | 31.5 | Very low | 105 Ų | 105 | 121.5 Ų | 121.5 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | | | | -176.1 | 115.8 | 127.9 | -76.5 | 0 | 0 | 0 | 0 | 109.3 | | |
| 85 | S | 29.7 | Very low | 31.8 | Very low | 103 Ų | 103 | 123.4 Ų | 123.4 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | | | | 48.1 | 112.3 | 86 | 66.5 | 0 | 0 | 0 | 0 | 114.1 | | |
| 86 | A | 29.3 | Very low | 31.8 | Very low | 92 Ų | 92 | 121 Ų | 121 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | | | cis | 95.6 | 142.6 | 25.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 87 | V | 30.5 | Very low | 32.1 | Very low | 148 Ų | 148 | 125.6 Ų | 125.6 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | | | trans | 72.9 | 121.3 | 168 | -153.1 | 0 | 0 | 0 | 0 | 119.2 | | |
| 88 | A | 31.2 | Very low | 32.2 | Very low | 91 Ų | 91 | 121.7 Ų | 121.7 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | | | trans | 162.1 | 139.3 | 148.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 89 | D | 28.4 | Very low | 32.1 | Very low | 154 Ų | 154 | 117.6 Ų | 117.6 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | | | cis | -155.1 | 177.3 | -12.2 | -144.6 | -33.1 | 0 | 0 | 0 | 111.2 | | |
| 90 | M | 42 | Very low | 32.3 | Very low | 164 Ų | 164 | 122.8 Ų | 122.8 | 81% | 0.808 | 78% | 0.776 | S | S | * | * | | | trans | -100.5 | -160.6 | 176.3 | -76.3 | -134.3 | 76.5 | 0 | 0 | 110.2 | | |
| 91 | P | 51.9 | Low | 32.4 | Very low | 114 Ų | 114 | 124.4 Ų | 124.4 | 74% | 0.74 | 78% | 0.775 | S | S | * | * | | | cis | -150.5 | 174.2 | 7.9 | 46.1 | -25.1 | 0 | 0 | 0 | 121.3 | | |
| 92 | A | 37.5 | Very low | 32.6 | Very low | 100 Ų | 100 | 123.4 Ų | 123.4 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | | | trans | 67.2 | 140.6 | 140.5 | 0 | 0 | 0 | 0 | 0 | 124.8 | | |
| 93 | G | 30.9 | Very low | 33.4 | Very low | 81 Ų | 81 | 125 Ų | 125 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | | | trans | 176.5 | 142.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 94 | S | 37.5 | Very low | 33.3 | Very low | 110 Ų | 110 | 121.4 Ų | 121.4 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | | | trans | -139.8 | 177.7 | -169.7 | 73 | 0 | 0 | 0 | 0 | 112.7 | | |
| 95 | N | 36 | Very low | 33.3 | Very low | 147 Ų | 147 | 123.4 Ų | 123.4 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | | | cis | -158.5 | -178.1 | 16.4 | -123.9 | -32.2 | 0 | 0 | 0 | 108.2 | | |
| 96 | G | 31.6 | Very low | 33.2 | Very low | 57 Ų | 57 | 123.3 Ų | 123.3 | 59% | 0.588 | 78% | 0.776 | S | S | * | * | | | cis | 142.8 | 150.7 | -4.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 97 | K | 36.7 | Very low | 33.1 | Very low | 181 Ų | 181 | 122.1 Ų | 122.1 | 79% | 0.787 | 77% | 0.773 | S | S | * | * | | | trans | 71.9 | 167.4 | 164.7 | -68.2 | 174.7 | 165.8 | -79.4 | 0 | 119.5 | | |
| 98 | Q | 32.7 | Very low | 33 | Very low | 137 Ų | 137 | 123 Ų | 123 | 64% | 0.64 | 77% | 0.768 | S | S | * | * | | | cis | -175.5 | 129.3 | -36.3 | -171.8 | 170.2 | -3 | 0 | 0 | 112.8 | | |
| 99 | T | 29.6 | Very low | 33.1 | Very low | 119 Ų | 119 | 125.1 Ų | 125.1 | 73% | 0.73 | 76% | 0.762 | S | S | * | * | | | trans | 63.3 | 144.9 | 154.3 | 54 | 0 | 0 | 0 | 0 | 126.3 | | |
| 100 | Q | 29.3 | Very low | 33.2 | Very low | 179 Ų | 179 | 125.3 Ų | 125.3 | 84% | 0.836 | 76% | 0.758 | S | S | * | * | | | trans | 102.8 | 144.3 | 143 | -69.4 | -122.2 | -8.2 | 0 | 0 | 123.1 | | |
| 101 | S | 28.7 | Very low | 32.6 | Very low | 113 Ų | 113 | 122.7 Ų | 122.7 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | | | trans | 87.5 | 132.5 | 157.7 | -4 | 0 | 0 | 0 | 0 | 122.6 | | |
| 102 | E | 28.7 | Very low | 31.6 | Very low | 178 Ų | 178 | 121.6 Ų | 121.6 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | | | trans | -70.6 | -179.4 | 158.9 | -106.5 | -159.3 | 127.5 | 0 | 0 | 112.4 | | |
| 103 | P | 44.9 | Very low | 31.1 | Very low | 119 Ų | 119 | 123.8 Ų | 123.8 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | | | cis | -144.3 | 179.9 | 22.7 | 43.7 | -24.7 | 0 | 0 | 0 | 118.6 | | |
| 104 | G | 24.7 | Very low | 31.1 | Very low | 58 Ų | 58 | 126.7 Ų | 126.7 | 60% | 0.598 | 75% | 0.749 | S | S | * | * | | | | 104.5 | 108.3 | 123.9 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 105 | T | 26.8 | Very low | 30.7 | Very low | 147 Ų | 147 | 126.2 Ų | 126.2 | 90% | 0.902 | 75% | 0.746 | S | S | * | * | | | | 33.9 | 131.8 | 129.4 | -26.2 | 0 | 0 | 0 | 0 | 119.3 | | |
| 106 | A | 28.9 | Very low | 30.6 | Very low | 100 Ų | 100 | 126.4 Ų | 126.4 | 83% | 0.826 | 75% | 0.746 | S | S | * | * | | | cis | -156.1 | 171.2 | 37.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 107 | G | 27.3 | Very low | 30.5 | Very low | 68 Ų | 68 | 130.1 Ų | 130.1 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | | | cis | 172.2 | 153.8 | -4.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 108 | E | 27.4 | Very low | 30.3 | Very low | 167 Ų | 167 | 125.2 Ų | 125.2 | 78% | 0.78 | 76% | 0.759 | S | S | * | * | | | trans | 25.3 | 117.6 | 152.5 | -68.6 | -175.5 | 94.8 | 0 | 0 | 121.1 | | |
| 109 | Q | 33.1 | Very low | 30.1 | Very low | 135 Ų | 135 | 127.7 Ų | 127.7 | 63% | 0.631 | 77% | 0.77 | S | S | * | * | | | | 96.3 | 136.5 | 80.4 | -82 | -168.7 | 61 | 0 | 0 | 114.5 | | |
| 110 | H | 31 | Very low | 30.1 | Very low | 158 Ų | 158 | 126.9 Ų | 126.9 | 73% | 0.731 | 78% | 0.776 | S | S | * | * | | | trans | 66.7 | 132.1 | 145.8 | -68.7 | 174.6 | 0 | 0 | 0 | 122.9 | | |
| 111 | S | 29.6 | Very low | 30 | Very low | 109 Ų | 109 | 121.6 Ų | 121.6 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | | | trans | 65.8 | 106.3 | 133.1 | -59.7 | 0 | 0 | 0 | 0 | 122.5 | | |
| 112 | A | 30.2 | Very low | 30.1 | Very low | 90 Ų | 90 | 121.4 Ų | 121.4 | 74% | 0.744 | 77% | 0.768 | S | S | * | * | | | | 83.7 | 132.7 | 124.1 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 113 | N | 26.5 | Very low | 30.2 | Very low | 146 Ų | 146 | 122 Ų | 122 | 78% | 0.781 | 77% | 0.77 | S | S | * | * | | | trans | 80.6 | 142.3 | 139.5 | -98 | -42.2 | 0 | 0 | 0 | 122.8 | | |
| 114 | L | 31.1 | Very low | 29.7 | Very low | 143 Ų | 143 | 123.1 Ų | 123.1 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | | | trans | 63.2 | 96.2 | 150.2 | -62.5 | 171.2 | 0 | 0 | 0 | 121.1 | | |
| 115 | S | 30.7 | Very low | 30.2 | Very low | 99 Ų | 99 | 130.1 Ų | 130.1 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | | | | 74.5 | 139.5 | 109.3 | -61.9 | 0 | 0 | 0 | 0 | 123.4 | | |
| 116 | L | 33.4 | Very low | 30.5 | Very low | 151 Ų | 151 | 129.6 Ų | 129.6 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | | | trans | 102.9 | 121.3 | 138.9 | -82.8 | 159.4 | 0 | 0 | 0 | 122.3 | | |
| 117 | T | 29.7 | Very low | 31 | Very low | 135 Ų | 135 | 132.5 Ų | 132.5 | 83% | 0.828 | 79% | 0.788 | S | S | * | * | | | trans | 80.5 | 113.2 | 145.4 | 29 | 0 | 0 | 0 | 0 | 123.1 | | |
| 118 | G | 31.1 | Very low | 32 | Very low | 79 Ų | 79 | 136.9 Ų | 136.9 | 81% | 0.814 | 79% | 0.789 | S | S | * | * | | | trans | 118 | 135.1 | 141.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 119 | Q | 30.5 | Very low | 32.7 | Very low | 189 Ų | 189 | 140 Ų | 140 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | | | cis | -162 | 135.1 | -17.4 | -176.8 | 172.9 | -10.5 | 0 | 0 | 111.1 | | |
| 120 | A | 27.7 | Very low | 33 | Very low | 102 Ų | 102 | 140 Ų | 140 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | | | trans | 64.5 | 158.6 | 163.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 121 | G | 27.7 | Very low | 34.2 | Very low | 67 Ų | 67 | 137.7 Ų | 137.7 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | | | trans | 96.9 | 68.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 122 | S | 31.1 | Very low | 34.7 | Very low | 110 Ų | 110 | 140.6 Ų | 140.6 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | | | | 80.4 | 123.6 | 82.2 | 69.8 | 0 | 0 | 0 | 0 | 115.4 | | |
| 123 | E | 30.6 | Very low | 35.2 | Very low | 190 Ų | 190 | 139.8 Ų | 139.8 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | | | trans | 71.3 | 103.1 | 161.7 | -59.2 | -177.3 | -178.6 | 0 | 0 | 119.5 | | |
| 124 | T | 34 | Very low | 35.5 | Very low | 143 Ų | 143 | 140 Ų | 140 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | | | trans | -130.3 | 105.1 | 160.7 | 37.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 125 | K | 36 | Very low | 35.9 | Very low | 205 Ų | 205 | 141.1 Ų | 141.1 | 89% | 0.891 | 81% | 0.806 | S | S | * | * | | | trans | 21.5 | 120.6 | 144.7 | -160.1 | 172.6 | -175.7 | 179.4 | 0 | 119.4 | | |
| 126 | T | 33.3 | Very low | 36.3 | Very low | 135 Ų | 135 | 145.1 Ų | 145.1 | 83% | 0.828 | 81% | 0.811 | S | S | * | * | | | trans | -73 | 143.9 | 169.4 | 16.8 | 0 | 0 | 0 | 0 | 114.1 | | |
| 127 | D | 38.2 | Very low | 36.3 | Very low | 162 Ų | 162 | 144.6 Ų | 144.6 | 87% | 0.866 | 81% | 0.814 | S | S | * | * | | | trans | -105.2 | 131.9 | 157.2 | -89.2 | -43.5 | 0 | 0 | 0 | 109.8 | | |
| 128 | H | 50 | Low | 36.7 | Very low | 159 Ų | 159 | 143.1 Ų | 143.1 | 74% | 0.736 | 81% | 0.81 | S | S | * | * | | | trans | -90.8 | 116.7 | -174.7 | -155.4 | -95.7 | 0 | 0 | 0 | 111.6 | D130 | H128-D130 IonicContact CE1-OD1 3.33Å; H128-D130 PolarHBondContact CE1-OD1 3.2Å; H128-D130 IonicContact CE1-OD2 3.3Å; H128-D130 PolarHBondContact CE1-OD2 3.25Å; H128-D130 VanDerWaalsContact CE1-OD2 3.3Å; H128-D130 IonicContact ND1-OD1 3.66Å; H128-D130 IonicContact ND1-OD2 2.77Å; H128-D130 PolarHBondContact ND1-OD2 3.39Å |
| 129 | R | 41.6 | Very low | 37 | Very low | 234 Ų | 234 | 149 Ų | 149 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | | | trans | -109.9 | 99.1 | 172.7 | -97.2 | -167.9 | 171.1 | -157.6 | 0.2 | 111 | S131 | R129-S131 PolarHBondContact O-N 3.31Š|
| 130 | D | 40 | Very low | 37.2 | Very low | 135 Ų | 135 | 143.9 Ų | 143.9 | 72% | 0.722 | 81% | 0.814 | S | S | * | * | | | trans | -70.5 | 120.9 | 173.4 | -74.6 | -77.8 | 0 | 0 | 0 | 112.2 | H128 | H128-D130 IonicContact CE1-OD1 3.33Å; H128-D130 PolarHBondContact CE1-OD1 3.2Å; H128-D130 IonicContact CE1-OD2 3.3Å; H128-D130 PolarHBondContact CE1-OD2 3.25Å; H128-D130 VanDerWaalsContact CE1-OD2 3.3Å; H128-D130 IonicContact ND1-OD1 3.66Å; H128-D130 IonicContact ND1-OD2 2.77Å; H128-D130 PolarHBondContact ND1-OD2 3.39Å |
| 131 | S | 55.1 | Low | 37.8 | Very low | 109 Ų | 109 | 147.4 Ų | 147.4 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | | | trans | -126.8 | 89 | 173 | -66.4 | 0 | 0 | 0 | 0 | 109 | R129 A133 | R129-S131 PolarHBondContact O-N 3.31Å; S131-A133 PolarHBondContact O-N 3.28Å |
| 132 | N | 41 | Very low | 38 | Very low | 170 Ų | 170 | 149.6 Ų | 149.6 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | | | trans | -80.4 | 114.5 | 176.2 | -169.8 | -15.2 | 0 | 0 | 0 | 110.1 | | |
| 133 | A | 40.9 | Very low | 38.2 | Very low | 72 Ų | 72 | 150.6 Ų | 150.6 | 60% | 0.595 | 81% | 0.807 | S | S | * | * | | | trans | -111.9 | 132.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S131 I135 | S131-A133 PolarHBondContact O-N 3.28Å; A133-I135 PolarHBondContact O-N 3.3Å |
| 134 | N | 32 | Very low | 38.2 | Very low | 152 Ų | 152 | 147.6 Ų | 147.6 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | | | trans | -52.9 | 127.6 | 167.1 | 143.7 | 89.9 | 0 | 0 | 0 | 111.2 | | |
| 135 | I | 40.2 | Very low | 38 | Very low | 165 Ų | 165 | 145.7 Ų | 145.7 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | | | trans | -142.7 | 154.7 | 154.5 | 8.8 | 175.1 | 0 | 0 | 0 | 111.2 | A133 | A133-I135 PolarHBondContact O-N 3.3Š|
| 136 | K | 37.4 | Very low | 37.9 | Very low | 183 Ų | 183 | 141.1 Ų | 141.1 | 80% | 0.796 | 81% | 0.806 | S | S | * | * | | | trans | -115.9 | 133 | -166.3 | 171.7 | -169.5 | 172.7 | -166.5 | 0 | 109.2 | | |
| 137 | T | 35.1 | Very low | 37.6 | Very low | 140 Ų | 140 | 138.5 Ų | 138.5 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | | | trans | -79.7 | 135.5 | 179 | 44.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 138 | S | 38.3 | Very low | 37.2 | Very low | 105 Ų | 105 | 138.8 Ų | 138.8 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | | | trans | -158.2 | 128.1 | 161.1 | 54 | 0 | 0 | 0 | 0 | 111 | | |
| 139 | H | 36.7 | Very low | 37.1 | Very low | 201 Ų | 201 | 136 Ų | 136 | 93% | 0.931 | 80% | 0.802 | S | S | * | * | | | trans | -38.3 | 151.7 | -178.6 | -52.1 | -95.5 | 0 | 0 | 0 | 118.1 | | |
| 140 | G | 33.3 | Very low | 36.5 | Very low | 82 Ų | 82 | 130.9 Ų | 130.9 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | | | trans | 168.3 | 63.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 141 | K | 41.1 | Very low | 36.1 | Very low | 177 Ų | 177 | 128.5 Ų | 128.5 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | | | trans | -83.9 | 154.7 | 160.3 | -84.8 | -173.1 | 144.4 | -70.3 | 0 | 109.3 | | |
| 142 | D | 33 | Very low | 34.7 | Very low | 112 Ų | 112 | 129.7 Ų | 129.7 | 60% | 0.599 | 80% | 0.799 | S | S | * | * | | | cis | -155.2 | 156.2 | -9.3 | -88 | -43.3 | 0 | 0 | 0 | 107.3 | | |
| 143 | T | 34.2 | Very low | 34.2 | Very low | 131 Ų | 131 | 125.9 Ų | 125.9 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | trans | 156.4 | 133.5 | 131.4 | 42 | 0 | 0 | 0 | 0 | 114.6 | | |
| 144 | C | 30.2 | Very low | 33.5 | Very low | 127 Ų | 127 | 126.9 Ų | 126.9 | 86% | 0.858 | 80% | 0.799 | S | S | * | * | | | trans | 36 | 140 | 135 | -57.3 | 0 | 0 | 0 | 0 | 121.9 | | |
| 145 | A | 31.3 | Very low | 33.4 | Very low | 103 Ų | 103 | 125.2 Ų | 125.2 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | | | cis | -161.1 | -174.3 | -2.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 146 | A | 32.2 | Very low | 33.1 | Very low | 110 Ų | 110 | 126.2 Ų | 126.2 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | | | trans | -64.7 | 157.5 | -166.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 147 | G | 28.4 | Very low | 33.1 | Very low | 80 Ų | 80 | 124.2 Ų | 124.2 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | | | trans | -176.1 | 101.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 148 | L | 29.4 | Very low | 32.9 | Very low | 168 Ų | 168 | 124.9 Ų | 124.9 | 88% | 0.88 | 79% | 0.792 | S | S | * | * | | | trans | -137.9 | 165.7 | 170.8 | -99.4 | 176.3 | 0 | 0 | 0 | 106.8 | | |
| 149 | P | 48.4 | Very low | 32.6 | Very low | 101 Ų | 101 | 123.3 Ų | 123.3 | 66% | 0.656 | 79% | 0.786 | S | S | * | * | | | cis | -141 | -178.1 | 1.4 | 34 | -11 | 0 | 0 | 0 | 116.9 | | |
| 150 | T | 28.6 | Very low | 32.7 | Very low | 125 Ų | 125 | 125.2 Ų | 125.2 | 77% | 0.767 | 79% | 0.785 | S | S | * | * | | | trans | 71.2 | 145.5 | 146.8 | 14.1 | 0 | 0 | 0 | 0 | 124.8 | | |
| 151 | A | 30.6 | Very low | 32.6 | Very low | 86 Ų | 86 | 129.8 Ų | 129.8 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | | | trans | 83 | 151 | 136.4 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 152 | T | 26.3 | Very low | 32.4 | Very low | 133 Ų | 133 | 125.5 Ų | 125.5 | 82% | 0.816 | 79% | 0.786 | S | S | * | * | | | cis | -166.1 | 160.5 | -29.1 | -72.3 | 0 | 0 | 0 | 0 | 108.3 | | |
| 153 | A | 30 | Very low | 32.3 | Very low | 90 Ų | 90 | 128.9 Ų | 128.9 | 74% | 0.744 | 80% | 0.795 | S | S | * | * | | | trans | 96.9 | 135.5 | 153.1 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 154 | A | 27.2 | Very low | 32.1 | Very low | 94 Ų | 94 | 129.2 Ų | 129.2 | 78% | 0.777 | 79% | 0.787 | S | S | * | * | | | trans | 31.5 | 127 | 150.8 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 155 | S | 29 | Very low | 32.1 | Very low | 116 Ų | 116 | 128.3 Ų | 128.3 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | | | cis | 75.3 | 115.3 | 41 | -169.7 | 0 | 0 | 0 | 0 | 116 | | |
| 156 | K | 33.7 | Very low | 32.2 | Very low | 186 Ų | 186 | 127.9 Ų | 127.9 | 81% | 0.809 | 77% | 0.769 | S | S | * | * | | | trans | -173.4 | 131.9 | 145.3 | -106.8 | 178.4 | 175.9 | -178.5 | 0 | 114.4 | | |
| 157 | I | 37.8 | Very low | 32.9 | Very low | 141 Ų | 141 | 128.9 Ų | 128.9 | 72% | 0.723 | 77% | 0.766 | S | S | * | * | | | trans | 59.1 | 94.1 | 141.1 | -53.5 | 160.2 | 0 | 0 | 0 | 120.2 | | |
| 158 | D | 31.4 | Very low | 33.1 | Very low | 154 Ų | 154 | 130.5 Ų | 130.5 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | | | | 45.4 | 150.7 | 104.3 | -140.8 | -4 | 0 | 0 | 0 | 125 | | |
| 159 | A | 32.1 | Very low | 33.2 | Very low | 73 Ų | 73 | 132.2 Ų | 132.2 | 60% | 0.603 | 77% | 0.768 | S | S | * | * | | | trans | 69.8 | 93.7 | 148.2 | 0 | 0 | 0 | 0 | 0 | 124.6 | | |
| 160 | R | 37.7 | Very low | 32.5 | Very low | 241 Ų | 241 | 132.2 Ų | 132.2 | 91% | 0.909 | 78% | 0.777 | S | S | * | * | | | | 50.4 | 131 | 125.6 | -56.9 | 179.3 | -170.9 | -144.7 | 1.9 | 122.5 | | |
| 161 | I | 32.8 | Very low | 32.7 | Very low | 178 Ų | 178 | 130.6 Ų | 130.6 | 91% | 0.913 | 78% | 0.776 | S | S | * | * | | | | -167.5 | 168.6 | 129 | -99.8 | 154.7 | 0 | 0 | 0 | 108.7 | | |
| 162 | A | 35.3 | Very low | 33.7 | Very low | 86 Ų | 86 | 132.2 Ų | 132.2 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | | | trans | -141.9 | 166 | -173 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 163 | K | 32 | Very low | 34 | Very low | 184 Ų | 184 | 132.9 Ų | 132.9 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | | | trans | 66.3 | 155 | -178.7 | -78.2 | -170.2 | 155.8 | -141 | 0 | 114 | | |
| 164 | E | 29.2 | Very low | 34.1 | Very low | 137 Ų | 137 | 136.6 Ų | 136.6 | 64% | 0.64 | 79% | 0.785 | S | S | * | * | | | cis | -162.9 | 177.5 | -9.8 | -125.8 | -172.5 | -80.7 | 0 | 0 | 108.7 | | |
| 165 | T | 30.6 | Very low | 34.2 | Very low | 109 Ų | 109 | 140.6 Ų | 140.6 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | | | cis | -151.5 | -163.9 | -3.6 | -157.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 166 | S | 33.2 | Very low | 34.3 | Very low | 93 Ų | 93 | 139.2 Ų | 139.2 | 65% | 0.65 | 79% | 0.786 | S | S | * | * | | | trans | -85.9 | -179.7 | 174.7 | 61.1 | 0 | 0 | 0 | 0 | 114.9 | | |
| 167 | P | 48 | Very low | 35.3 | Very low | 131 Ų | 131 | 136.1 Ų | 136.1 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | | | | -133.1 | -179.7 | 124.7 | 38.8 | -30.9 | 0 | 0 | 0 | 113.6 | | |
| 168 | S | 32 | Very low | 34.8 | Very low | 114 Ų | 114 | 134.5 Ų | 134.5 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | | | trans | -129.3 | 160.6 | -174.3 | 60.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 169 | E | 31.9 | Very low | 34.9 | Very low | 204 Ų | 204 | 133.4 Ų | 133.4 | 95% | 0.953 | 79% | 0.785 | S | S | * | * | | | trans | -154.6 | -179.1 | 144.6 | -129.5 | -176.9 | 118.5 | 0 | 0 | 112.4 | | |
| 170 | A | 33.8 | Very low | 34.9 | Very low | 101 Ų | 101 | 139.3 Ų | 139.3 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | | | trans | -117.2 | -171.5 | -157.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 171 | A | 31.6 | Very low | 35.2 | Very low | 92 Ų | 92 | 132.9 Ų | 132.9 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | | | trans | -113.8 | -161.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 172 | P | 51.9 | Low | 35.1 | Very low | 120 Ų | 120 | 131 Ų | 131 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | | | | -127.3 | 166.6 | -50.4 | 31.6 | -15.9 | 0 | 0 | 0 | 113.3 | | |
| 173 | V | 32.3 | Very low | 35 | Very low | 146 Ų | 146 | 131.3 Ų | 131.3 | 89% | 0.885 | 79% | 0.786 | S | S | * | * | | | trans | -142.4 | 145.8 | 162.7 | -176 | 0 | 0 | 0 | 0 | 110.9 | | |
| 174 | Q | 32.4 | Very low | 35 | Very low | 168 Ų | 168 | 132 Ų | 132 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | | | trans | -103.3 | 158.4 | 173.3 | -61.4 | -177.4 | 6 | 0 | 0 | 112.3 | | |
| 175 | M | 29.5 | Very low | 35.2 | Very low | 178 Ų | 178 | 133.9 Ų | 133.9 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | | | | 170.6 | 167 | 127.9 | -84.5 | -97.2 | 97.4 | 0 | 0 | 110.2 | | |
| 176 | A | 30.8 | Very low | 35.7 | Very low | 88 Ų | 88 | 134.5 Ų | 134.5 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | | | trans | -128.7 | -156.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 177 | P | 54.8 | Low | 35.8 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | | | cis | -127.7 | -179.9 | -31.3 | 40.1 | -26.8 | 0 | 0 | 0 | 112.3 | | |
| 178 | S | 27.5 | Very low | 35.6 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | | | trans | -169.8 | 152.2 | 143.4 | -137.4 | 0 | 0 | 0 | 0 | 118.9 | | |
| 179 | T | 33 | Very low | 36.1 | Very low | 132 Ų | 132 | 140.4 Ų | 140.4 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | | | trans | 55.4 | 122.2 | 149.7 | 44.5 | 0 | 0 | 0 | 0 | 125.2 | | |
| 180 | K | 33 | Very low | 36.3 | Very low | 197 Ų | 197 | 137.1 Ų | 137.1 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | | | trans | -70.9 | 180 | 148.2 | -116.2 | -170.9 | 178.2 | -178.5 | 0 | 110.9 | | |
| 181 | P | 44.7 | Very low | 36.3 | Very low | 106 Ų | 106 | 137.5 Ų | 137.5 | 69% | 0.688 | 79% | 0.793 | S | S | * | * | | | cis | -146.3 | -162.5 | 30.3 | 40.3 | -16.4 | 0 | 0 | 0 | 117.6 | | |
| 182 | T | 29 | Very low | 36.5 | Very low | 138 Ų | 138 | 139.1 Ų | 139.1 | 85% | 0.847 | 79% | 0.789 | S | S | * | * | | | trans | 97.3 | 153.7 | 160 | -44.5 | 0 | 0 | 0 | 0 | 117.2 | | |
| 183 | A | 33 | Very low | 36 | Very low | 93 Ų | 93 | 142.2 Ų | 142.2 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | | | trans | -149.5 | 171.6 | -162.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 184 | Q | 32.4 | Very low | 36.1 | Very low | 197 Ų | 197 | 141.7 Ų | 141.7 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | | | trans | -154.8 | 150.6 | 166.2 | -148.6 | 168.7 | -29.9 | 0 | 0 | 113.5 | | |
| 185 | E | 34.6 | Very low | 36.4 | Very low | 177 Ų | 177 | 140.4 Ų | 140.4 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | | | trans | -91.1 | -175.8 | -180 | -57.5 | 164.4 | 70.6 | 0 | 0 | 112 | | |
| 186 | T | 39.7 | Very low | 36.5 | Very low | 122 Ų | 122 | 136.7 Ų | 136.7 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | | | cis | -138.8 | -178.4 | 12.4 | 46.5 | 0 | 0 | 0 | 0 | 108.6 | | |
| 187 | S | 36.3 | Very low | 36.4 | Very low | 110 Ų | 110 | 138.4 Ų | 138.4 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | | | cis | -164.9 | 167 | 32.5 | -171.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 188 | D | 43.6 | Very low | 35.2 | Very low | 148 Ų | 148 | 138.1 Ų | 138.1 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | | | trans | -93.8 | 157 | -163.2 | -55.1 | -92.2 | 0 | 0 | 0 | 118.2 | | |
| 189 | K | 42.4 | Very low | 35.4 | Very low | 205 Ų | 205 | 138.2 Ų | 138.2 | 89% | 0.891 | 77% | 0.774 | S | S | * | * | | | | -168 | 124.4 | 111.6 | -124.7 | 168.9 | -179.2 | 169 | 0 | 116.4 | | |
| 190 | N | 35.9 | Very low | 35.5 | Very low | 134 Ų | 134 | 140 Ų | 140 | 72% | 0.717 | 77% | 0.773 | S | S | * | * | | | trans | 16.2 | 141.4 | 138.6 | -131.8 | 11.2 | 0 | 0 | 0 | 119.6 | | |
| 191 | T | 33.5 | Very low | 35.3 | Very low | 109 Ų | 109 | 135 Ų | 135 | 67% | 0.669 | 76% | 0.762 | S | S | * | * | | | cis | -164.2 | 128.4 | 30.9 | -39.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 192 | N | 36.1 | Very low | 34.8 | Very low | 127 Ų | 127 | 137.6 Ų | 137.6 | 68% | 0.679 | 77% | 0.766 | S | S | * | * | | | | 22.3 | 131.9 | 124.4 | -118.9 | -25.8 | 0 | 0 | 0 | 118.3 | | |
| 193 | K | 42.4 | Very low | 34.9 | Very low | 184 Ų | 184 | 140.3 Ų | 140.3 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | | | cis | -173.9 | 165.8 | 44.7 | -83.4 | 169.3 | -171.7 | 174.5 | 0 | 109.4 | | |
| 194 | N | 33.9 | Very low | 34.8 | Very low | 135 Ų | 135 | 139.8 Ų | 139.8 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | | | cis | -163.9 | 172.2 | -23.5 | -166.9 | 17.3 | 0 | 0 | 0 | 109.9 | | |
| 195 | L | 38.7 | Very low | 34.8 | Very low | 141 Ų | 141 | 136.7 Ų | 136.7 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | | | trans | -29.3 | 142.3 | 174.5 | -64.8 | 159.3 | 0 | 0 | 0 | 117.3 | | |
| 196 | C | 30.5 | Very low | 35.3 | Very low | 100 Ų | 100 | 134.3 Ų | 134.3 | 68% | 0.676 | 76% | 0.755 | S | S | * | * | | | cis | 75.4 | 123.7 | 48.2 | -174.8 | 0 | 0 | 0 | 0 | 115.5 | | |
| 197 | S | 29.4 | Very low | 34.9 | Very low | 124 Ų | 124 | 133.6 Ų | 133.6 | 87% | 0.867 | 76% | 0.755 | S | S | * | * | | | trans | -173.5 | 153.8 | 142.8 | -85.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 198 | T | 29.9 | Very low | 35.3 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | | | trans | -110.6 | 148.4 | -171.3 | -59.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 199 | S | 31.6 | Very low | 34.8 | Very low | 108 Ų | 108 | 134.3 Ų | 134.3 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | | | trans | 171.3 | 142.1 | 143.3 | -77.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 200 | Q | 35 | Very low | 34.4 | Very low | 171 Ų | 171 | 131.9 Ų | 131.9 | 80% | 0.799 | 74% | 0.743 | S | S | * | * | | | cis | 72.8 | 135.6 | 43.3 | -64.7 | -159.5 | 50.1 | 0 | 0 | 114.2 | | |
| 201 | S | 29.4 | Very low | 34.1 | Very low | 90 Ų | 90 | 131.4 Ų | 131.4 | 63% | 0.629 | 74% | 0.74 | S | S | * | * | | | cis | -170.4 | 169.7 | -15.5 | -158.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 202 | Q | 33.4 | Very low | 34.6 | Very low | 162 Ų | 162 | 131.8 Ų | 131.8 | 76% | 0.757 | 74% | 0.742 | S | S | * | * | | | trans | 70.7 | 128.1 | 159 | -71.5 | 178 | 63.7 | 0 | 0 | 119.5 | | |
| 203 | K | 31.9 | Very low | 34.4 | Very low | 195 Ų | 195 | 135.5 Ų | 135.5 | 85% | 0.848 | 75% | 0.752 | S | S | * | * | | | | 71.9 | 144.5 | 87.6 | -73.9 | -170.4 | 172.7 | -175.9 | 0 | 116 | | |
| 204 | A | 29.9 | Very low | 34.1 | Very low | 81 Ų | 81 | 131 Ų | 131 | 67% | 0.669 | 75% | 0.749 | S | S | * | * | | | cis | -171.1 | 155.7 | -13.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 205 | V | 32.5 | Very low | 34.9 | Very low | 133 Ų | 133 | 129.5 Ų | 129.5 | 81% | 0.806 | 75% | 0.747 | S | S | * | * | | | trans | 49.5 | 125.4 | 141.4 | 174.8 | 0 | 0 | 0 | 0 | 120.6 | | |
| 206 | P | 46 | Very low | 34.8 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 83% | 0.825 | 75% | 0.749 | S | S | * | * | | | | -139.5 | 160.3 | 105.1 | 38.1 | -25.7 | 0 | 0 | 0 | 116.4 | | |
| 207 | S | 29.8 | Very low | 35.1 | Very low | 107 Ų | 107 | 130.8 Ų | 130.8 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | | | trans | -112.3 | 171.1 | 171 | -47.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 208 | P | 46.3 | Very low | 35.6 | Very low | 107 Ų | 107 | 133.7 Ų | 133.7 | 70% | 0.695 | 74% | 0.739 | S | S | * | * | | | | -153 | 156.4 | 88.7 | 38.5 | -20.2 | 0 | 0 | 0 | 117.4 | | |
| 209 | Q | 31.5 | Very low | 35.7 | Very low | 165 Ų | 165 | 133 Ų | 133 | 77% | 0.771 | 74% | 0.74 | S | S | * | * | | | trans | 53.2 | 140.2 | 150.9 | -61.5 | 175.9 | -50.2 | 0 | 0 | 119.9 | | |
| 210 | Q | 35.4 | Very low | 35.6 | Very low | 154 Ų | 154 | 133.8 Ų | 133.8 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | | | cis | -159.5 | -175.4 | -10.4 | -118.3 | 167 | -105.3 | 0 | 0 | 105.7 | | |
| 211 | D | 29.9 | Very low | 35.4 | Very low | 125 Ų | 125 | 131.6 Ų | 131.6 | 67% | 0.668 | 74% | 0.738 | S | S | * | * | | | cis | -142 | -131.3 | 13.4 | -161.4 | -105.3 | 0 | 0 | 0 | 112.3 | | |
| 212 | V | 42.1 | Very low | 35.4 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 71% | 0.709 | 74% | 0.743 | S | S | * | * | | | trans | -119.7 | 145.7 | -158 | 178.6 | 0 | 0 | 0 | 0 | 116.5 | | |
| 213 | K | 33.7 | Very low | 35.2 | Very low | 205 Ų | 205 | 131.8 Ų | 131.8 | 89% | 0.891 | 75% | 0.745 | S | S | * | * | | | trans | 91.6 | 148.2 | 160.7 | -113.6 | 178.2 | -179.3 | 179 | 0 | 119.5 | | |
| 214 | A | 35.5 | Very low | 35.2 | Very low | 88 Ų | 88 | 130.6 Ų | 130.6 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | | | trans | -172.2 | -178.3 | -159.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 215 | P | 50.5 | Low | 35 | Very low | 105 Ų | 105 | 134.6 Ų | 134.6 | 68% | 0.682 | 74% | 0.744 | S | S | * | * | | | cis | -146 | 177.2 | -7.6 | 46.6 | -30.5 | 0 | 0 | 0 | 117.2 | | |
| 216 | Q | 36.7 | Very low | 34.8 | Very low | 166 Ų | 166 | 136 Ų | 136 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | | | trans | 64.1 | 155 | 147.2 | -54.8 | -126.9 | 1.7 | 0 | 0 | 121.4 | | |
| 217 | N | 36.6 | Very low | 33.9 | Very low | 101 Ų | 101 | 137.7 Ų | 137.7 | 54% | 0.54 | 74% | 0.743 | S | S | . | * | | | cis | -166.9 | 139.2 | -34.1 | -100.1 | -22.8 | 0 | 0 | 0 | 108.5 | | |
| 218 | K | 39.4 | Very low | 33.8 | Very low | 185 Ų | 185 | 139.9 Ų | 139.9 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | | | | 55.4 | 143.6 | 98.2 | -51.5 | -175.9 | -177 | -175.1 | 0 | 116 | | |
| 219 | S | 31.9 | Very low | 33.5 | Very low | 102 Ų | 102 | 140.6 Ų | 140.6 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | | | cis | -159 | 141.6 | 13.6 | -9.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 220 | T | 29.6 | Very low | 33.3 | Very low | 124 Ų | 124 | 138 Ų | 138 | 76% | 0.761 | 74% | 0.738 | S | S | * | * | | | | 78.4 | 93.7 | 87 | -49.4 | 0 | 0 | 0 | 0 | 115.1 | | |
| 221 | T | 31.4 | Very low | 32.8 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 77% | 0.767 | 74% | 0.74 | S | S | * | * | | | | 75.2 | 122.1 | 90.5 | -48.4 | 0 | 0 | 0 | 0 | 115.7 | | |
| 222 | S | 30.2 | Very low | 32.7 | Very low | 104 Ų | 104 | 136.8 Ų | 136.8 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | | | | 170.6 | 167.9 | 101.9 | -53.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 223 | L | 28.8 | Very low | 32.1 | Very low | 152 Ų | 152 | 143.5 Ų | 143.5 | 80% | 0.796 | 76% | 0.757 | S | S | * | * | | | cis | -162 | -156.7 | -10.6 | -121.4 | 173.1 | 0 | 0 | 0 | 112.8 | | |
| 224 | Q | 31.6 | Very low | 31.8 | Very low | 170 Ų | 170 | 141.3 Ų | 141.3 | 79% | 0.794 | 75% | 0.747 | S | S | * | * | | | trans | -82.8 | -177.3 | -179.9 | -77.1 | 169.3 | -3.4 | 0 | 0 | 115.3 | | |
| 225 | K | 25.4 | Very low | 31.7 | Very low | 164 Ų | 164 | 142.7 Ų | 142.7 | 71% | 0.713 | 75% | 0.749 | S | S | * | * | | | cis | 178.5 | 157 | -21.5 | 170.4 | -179.7 | 173.1 | -173.9 | 0 | 107.8 | | |
| 226 | I | 28.1 | Very low | 30.6 | Very low | 163 Ų | 163 | 145 Ų | 145 | 84% | 0.836 | 75% | 0.751 | S | S | * | * | | | trans | 150.5 | 161.9 | 154.1 | -83.5 | 155.5 | 0 | 0 | 0 | 110.1 | | |
| 227 | Q | 26.8 | Very low | 30.3 | Very low | 162 Ų | 162 | 145.8 Ų | 145.8 | 76% | 0.757 | 75% | 0.754 | S | S | * | * | | | | -158.9 | 168.2 | -61.3 | -170.3 | 153.7 | -28.3 | 0 | 0 | 108.9 | | |
| 228 | E | 28 | Very low | 29.9 | Very low | 153 Ų | 153 | 150.2 Ų | 150.2 | 72% | 0.715 | 76% | 0.763 | S | S | * | * | | | trans | -74.7 | 166.8 | -172.8 | -144.6 | -157 | 125.2 | 0 | 0 | 115.8 | D230 | E228-D230 PolarHBondContact OE1-N 3.04Š|
| 229 | P | 40 | Very low | 29.6 | Very low | 122 Ų | 122 | 149.8 Ų | 149.8 | 79% | 0.792 | 77% | 0.766 | S | S | * | * | | | | -155.4 | 141.9 | 90.4 | 39.2 | -19.4 | 0 | 0 | 0 | 120.1 | | |
| 230 | D | 26.9 | Very low | 29.3 | Very low | 112 Ų | 112 | 151.6 Ų | 151.6 | 60% | 0.599 | 76% | 0.763 | S | S | * | * | | | trans | 25.8 | 124.4 | 131 | -171.5 | 29.8 | 0 | 0 | 0 | 122.8 | E228 | E228-D230 PolarHBondContact OE1-N 3.04Š|
| 231 | N | 25.6 | Very low | 29.2 | Very low | 145 Ų | 145 | 151.7 Ų | 151.7 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | | | | -175.1 | 156.8 | 122.4 | -109.5 | -92.7 | 0 | 0 | 0 | 114.1 | | |
| 232 | S | 28.4 | Very low | 29 | Very low | 107 Ų | 107 | 152.3 Ų | 152.3 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | | | trans | -141.2 | 147.1 | -175.9 | -72.7 | 0 | 0 | 0 | 0 | 114.9 | | |
| 233 | R | 28.8 | Very low | 28.8 | Very low | 259 Ų | 259 | 152.6 Ų | 152.6 | 98% | 0.977 | 76% | 0.764 | S | S | * | * | | | trans | -158.8 | 151.7 | 163.4 | -108.1 | 162.4 | -159.6 | -151.7 | 2.8 | 114.5 | | |
| 234 | K | 28.5 | Very low | 28.8 | Very low | 159 Ų | 159 | 156.6 Ų | 156.6 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | | | trans | -75.9 | 170.9 | -179.5 | -122.2 | -173.3 | 174.8 | -173.8 | 0 | 112.4 | E236 | K234-E236 HydrophobicContact CD-CG 3.72Å; K234-E236 VanDerWaalsContact CE-CG 3.49Å; K234-E236 HydrophobicContact CG-CG 4.32Å; K234-E236 IonicContact NZ-OE1 3.11Å; K234-E236 PolarHBondContact NZ-OE1 3.36Å |
| 235 | P | 33.6 | Very low | 28.7 | Very low | 117 Ų | 117 | 154.5 Ų | 154.5 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | | | cis | -129.1 | 143 | 44.6 | 24.7 | -1.6 | 0 | 0 | 0 | 115.9 | | |
| 236 | E | 26 | Very low | 29.2 | Very low | 154 Ų | 154 | 155.8 Ų | 155.8 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | | | | 63.1 | 125.2 | 97.4 | -56.2 | -161.5 | 157.7 | 0 | 0 | 118.2 | K234 | K234-E236 HydrophobicContact CD-CG 3.72Å; K234-E236 VanDerWaalsContact CE-CG 3.49Å; K234-E236 HydrophobicContact CG-CG 4.32Å; K234-E236 IonicContact NZ-OE1 3.11Å; K234-E236 PolarHBondContact NZ-OE1 3.36Å |
| 237 | H | 31 | Very low | 29.6 | Very low | 181 Ų | 181 | 153 Ų | 153 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | | | trans | -125.3 | 128 | 170.7 | -169.7 | -67.7 | 0 | 0 | 0 | 109.2 | | |
| 238 | R | 27.2 | Very low | 30.3 | Very low | 194 Ų | 194 | 151.2 Ų | 151.2 | 73% | 0.732 | 77% | 0.77 | S | S | * | * | | | trans | -75 | 141.3 | 177.4 | 179.7 | 172.3 | 171.8 | 169.9 | -7.7 | 110.2 | E240 | R238-E240 IonicContact CZ-OE1 2.76Å; R238-E240 IonicContact NE-OE1 2.71Å; R238-E240 PolarHBondContact NE-OE1 2.95Å; R238-E240 IonicContact NH2-OE1 2.62Å; R238-E240 PolarHBondContact NH2-OE1 3.03Å; R238-E240 IonicContact NH2-OE2 2.66Å |
| 239 | M | 32.8 | Very low | 31.1 | Very low | 176 Ų | 176 | 149.6 Ų | 149.6 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | | | trans | -104.5 | 136.3 | 169 | -67 | -176.9 | -179.6 | 0 | 0 | 109 | | |
| 240 | E | 26.9 | Very low | 31.1 | Very low | 141 Ų | 141 | 149.1 Ų | 149.1 | 66% | 0.659 | 78% | 0.779 | S | S | * | * | | | trans | -137.4 | 117.2 | 166.2 | -118.4 | 154.7 | -118.7 | 0 | 0 | 109.5 | R238 | R238-E240 IonicContact CZ-OE1 2.76Å; R238-E240 IonicContact NE-OE1 2.71Å; R238-E240 PolarHBondContact NE-OE1 2.95Å; R238-E240 IonicContact NH2-OE1 2.62Å; R238-E240 PolarHBondContact NH2-OE1 3.03Å; R238-E240 IonicContact NH2-OE2 2.66Å |
| 241 | T | 26.6 | Very low | 31.4 | Very low | 125 Ų | 125 | 147.5 Ų | 147.5 | 77% | 0.767 | 79% | 0.789 | S | S | * | * | | | trans | -98.4 | 134.5 | 175.3 | -57.1 | 0 | 0 | 0 | 0 | 108.1 | | |
| 242 | V | 28.6 | Very low | 31.9 | Very low | 138 Ų | 138 | 151.2 Ų | 151.2 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | | | trans | -123 | 123.5 | 171.3 | -171.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 243 | T | 26.1 | Very low | 31.9 | Very low | 110 Ų | 110 | 149.8 Ų | 149.8 | 68% | 0.675 | 80% | 0.8 | S | S | * | * | | | trans | -96.3 | 141.4 | -171.1 | -50.6 | 0 | 0 | 0 | 0 | 111.4 | T245 | T243-T245 PolarHBondContact O-N 2.95Å; T243-T245 PolarHBondContact O-OG1 3.15Å |
| 244 | Y | 28.4 | Very low | 32 | Very low | 236 Ų | 236 | 142.6 Ų | 142.6 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | | | trans | -61.7 | 130.7 | 175.4 | -137.8 | -95.8 | 0 | 0 | 0 | 110.9 | | |
| 245 | T | 29.4 | Very low | 32.1 | Very low | 126 Ų | 126 | 143.7 Ų | 143.7 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | | | trans | -124 | 142.1 | -174.1 | -55.6 | 0 | 0 | 0 | 0 | 111.4 | T243 | T243-T245 PolarHBondContact O-N 2.95Å; T243-T245 PolarHBondContact O-OG1 3.15Å |
| 246 | K | 35.5 | Very low | 32 | Very low | 191 Ų | 191 | 145 Ų | 145 | 83% | 0.83 | 81% | 0.81 | S | S | * | * | | | trans | -109.8 | 140.1 | -171.2 | 175.9 | -175.4 | 172 | -179.7 | 0 | 112.1 | | |
| 247 | P | 36.5 | Very low | 32.3 | Very low | 106 Ų | 106 | 145.9 Ų | 145.9 | 69% | 0.688 | 81% | 0.814 | S | S | * | * | | | trans | -78.8 | 167.2 | 175.5 | 30.9 | -34.1 | 0 | 0 | 0 | 114.9 | | |
| 248 | P | 41.5 | Very low | 32.3 | Very low | 124 Ų | 124 | 143.9 Ų | 143.9 | 81% | 0.805 | 82% | 0.815 | S | S | * | * | | | trans | -102.1 | 178.1 | -150.1 | 40.1 | -38.4 | 0 | 0 | 0 | 116.7 | | |
| 249 | P | 44.6 | Very low | 32.3 | Very low | 119 Ų | 119 | 139.8 Ų | 139.8 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | | | trans | -112.2 | 148.2 | -171.4 | 39.2 | -31 | 0 | 0 | 0 | 118.1 | | |
| 250 | A | 40 | Very low | 32.4 | Very low | 111 Ų | 111 | 138.2 Ų | 138.2 | 92% | 0.917 | 81% | 0.812 | S | S | * | * | | | trans | 72 | 133.8 | 141.9 | 0 | 0 | 0 | 0 | 0 | 123.3 | | |
| 251 | G | 32.7 | Very low | 32.8 | Very low | 79 Ų | 79 | 137.4 Ų | 137.4 | 81% | 0.814 | 82% | 0.816 | S | S | * | * | | | trans | -173.4 | 125.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 252 | K | 36.8 | Very low | 33.1 | Very low | 222 Ų | 222 | 138.2 Ų | 138.2 | 97% | 0.965 | 82% | 0.816 | S | S | * | * | | | trans | -74.5 | 160.6 | -176.5 | -53.3 | 173.3 | -176 | 179.5 | 0 | 111.9 | | |
| 253 | G | 28.8 | Very low | 33.3 | Very low | 77 Ų | 77 | 139.6 Ų | 139.6 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | | | cis | 149 | 148.7 | -1.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 254 | A | 30.1 | Very low | 33.5 | Very low | 109 Ų | 109 | 140.1 Ų | 140.1 | 90% | 0.901 | 82% | 0.824 | S | S | * | * | | | trans | -159.7 | 166.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 255 | E | 30.7 | Very low | 33.6 | Very low | 181 Ų | 181 | 134.2 Ų | 134.2 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | | | trans | -103.8 | 152.4 | -164.8 | -58.6 | 166.2 | 140.8 | 0 | 0 | 114.4 | | |
| 256 | T | 30.7 | Very low | 33.8 | Very low | 145 Ų | 145 | 133.3 Ų | 133.3 | 89% | 0.89 | 82% | 0.816 | S | S | * | * | | | trans | -161 | 149.6 | 141.5 | -0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 257 | H | 33.5 | Very low | 33.5 | Very low | 172 Ų | 172 | 132.3 Ų | 132.3 | 80% | 0.796 | 81% | 0.814 | S | S | * | * | | | trans | -84 | 152.7 | -175.9 | -68.6 | -116.5 | 0 | 0 | 0 | 112.8 | | |
| 258 | T | 30.2 | Very low | 33.5 | Very low | 139 Ų | 139 | 131.8 Ų | 131.8 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | | | | -162.2 | 139.2 | 120.7 | -74.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 259 | T | 28.2 | Very low | 33 | Very low | 109 Ų | 109 | 132.4 Ų | 132.4 | 67% | 0.669 | 81% | 0.805 | S | S | * | * | | | trans | -84.5 | 136.3 | -174 | -50.5 | 0 | 0 | 0 | 0 | 112 | T261 | T259-T261 HydrophobicContact CG2-CG2 4.13Š|
| 260 | V | 34.9 | Very low | 32.5 | Very low | 143 Ų | 143 | 136.1 Ų | 136.1 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | | | trans | -85.5 | 112.9 | 164.2 | 177 | 0 | 0 | 0 | 0 | 109.1 | | |
| 261 | T | 34 | Very low | 31.9 | Very low | 124 Ų | 124 | 137.2 Ų | 137.2 | 76% | 0.761 | 79% | 0.794 | S | S | * | * | | | trans | -104.9 | 109.3 | 171.4 | 48 | 0 | 0 | 0 | 0 | 111.3 | T259 | T259-T261 HydrophobicContact CG2-CG2 4.13Š|
| 262 | N | 33.9 | Very low | 32.1 | Very low | 141 Ų | 141 | 142.9 Ų | 142.9 | 75% | 0.754 | 80% | 0.796 | S | S | * | * | | | trans | -64.1 | 145.7 | 166.7 | -178.9 | 9.2 | 0 | 0 | 0 | 111.2 | | |
| 263 | I | 32.3 | Very low | 32.7 | Very low | 167 Ų | 167 | 137.9 Ų | 137.9 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | | | trans | -166.4 | 139.9 | 145.9 | -99.9 | 148.6 | 0 | 0 | 0 | 109.6 | | |
| 264 | C | 30.2 | Very low | 32.7 | Very low | 121 Ų | 121 | 140.5 Ų | 140.5 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | -137.9 | 128.9 | 166.9 | 173.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 265 | S | 31.6 | Very low | 32.8 | Very low | 113 Ų | 113 | 140.9 Ų | 140.9 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | | | trans | -167.7 | 179 | 162.6 | -146.7 | 0 | 0 | 0 | 0 | 112 | | |
| 266 | S | 32.9 | Very low | 33.1 | Very low | 106 Ų | 106 | 141.7 Ų | 141.7 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | | | trans | -145.8 | 160.9 | -150.5 | 55.7 | 0 | 0 | 0 | 0 | 117.6 | | |
| 267 | H | 30.3 | Very low | 33.1 | Very low | 171 Ų | 171 | 139.5 Ų | 139.5 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | | | trans | 81.3 | 162.6 | 148.5 | -160.2 | -101.3 | 0 | 0 | 0 | 120.9 | | |
| 268 | S | 35.3 | Very low | 32.9 | Very low | 95 Ų | 95 | 137.6 Ų | 137.6 | 66% | 0.664 | 78% | 0.776 | S | S | * | * | | | trans | 83.3 | 147.6 | 168.3 | 78.5 | 0 | 0 | 0 | 0 | 118.3 | | |
| 269 | E | 30.6 | Very low | 32.9 | Very low | 136 Ų | 136 | 139.3 Ų | 139.3 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | | | cis | -179.1 | 155 | -12.4 | 158.8 | 176.2 | 155.7 | 0 | 0 | 112.9 | | |
| 270 | R | 35.1 | Very low | 32.9 | Very low | 198 Ų | 198 | 139.7 Ų | 139.7 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | | | trans | 72.4 | 162.1 | 168 | -53.9 | -118.5 | -171.8 | 128 | 22.2 | 120 | | |
| 271 | D | 27.5 | Very low | 32.8 | Very low | 134 Ų | 134 | 137.8 Ų | 137.8 | 72% | 0.717 | 77% | 0.769 | S | S | * | * | | | cis | -156.2 | 176.2 | -12.3 | -119.8 | -26.5 | 0 | 0 | 0 | 112.9 | | |
| 272 | F | 35.6 | Very low | 32.6 | Very low | 198 Ų | 198 | 136.9 Ų | 136.9 | 87% | 0.868 | 77% | 0.768 | S | S | * | * | | | trans | -106.8 | 155.2 | -178.6 | -80.6 | -82.2 | 0 | 0 | 0 | 117.4 | | |
| 273 | P | 51.1 | Low | 32.2 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | | | trans | -148.3 | 177.6 | 137 | 33.5 | -14.4 | 0 | 0 | 0 | 115.5 | | |
| 274 | V | 28.8 | Very low | 32.6 | Very low | 132 Ų | 132 | 137.5 Ų | 137.5 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | | | | -164.6 | 134.4 | -54.7 | 118.6 | 0 | 0 | 0 | 0 | 113.3 | | |
| 275 | V | 30.5 | Very low | 32.6 | Very low | 117 Ų | 117 | 140.1 Ų | 140.1 | 71% | 0.709 | 76% | 0.764 | S | S | * | * | | | trans | 66.1 | 118.3 | 151 | 173.6 | 0 | 0 | 0 | 0 | 125 | | |
| 276 | K | 37.2 | Very low | 32.8 | Very low | 198 Ų | 198 | 141.9 Ų | 141.9 | 86% | 0.861 | 76% | 0.76 | S | S | * | * | | | trans | 49.9 | 131 | 139.2 | -61.6 | 176.1 | -171.8 | 175.6 | 0 | 125 | | |
| 277 | A | 31.1 | Very low | 33.5 | Very low | 98 Ų | 98 | 141.5 Ų | 141.5 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | | | trans | -136.4 | -172.9 | 149.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 278 | T | 29.9 | Very low | 33.3 | Very low | 133 Ų | 133 | 141 Ų | 141 | 82% | 0.816 | 75% | 0.753 | S | S | * | * | | | trans | -150.3 | 171.2 | -159.3 | -38.5 | 0 | 0 | 0 | 0 | 114.1 | | |
| 279 | Q | 29.8 | Very low | 33.2 | Very low | 175 Ų | 175 | 141.7 Ų | 141.7 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | trans | 82.3 | 155.7 | 162.8 | -66.9 | -152.4 | -16.7 | 0 | 0 | 118.7 | | |
| 280 | V | 28 | Very low | 33.4 | Very low | 116 Ų | 116 | 139.5 Ų | 139.5 | 70% | 0.703 | 76% | 0.757 | S | S | * | * | | | cis | -165.3 | 160 | -14.6 | 129.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 281 | S | 32.2 | Very low | 33.3 | Very low | 104 Ų | 104 | 138.4 Ų | 138.4 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | | | trans | 68 | 140.4 | 167.4 | -130.1 | 0 | 0 | 0 | 0 | 116.9 | | |
| 282 | S | 30.8 | Very low | 33.6 | Very low | 105 Ų | 105 | 139 Ų | 139 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | | | cis | 75.3 | 109.7 | 25.3 | -165.9 | 0 | 0 | 0 | 0 | 116.1 | | |
| 283 | N | 25.8 | Very low | 33.2 | Very low | 152 Ų | 152 | 134.8 Ų | 134.8 | 81% | 0.813 | 74% | 0.744 | S | S | * | * | | | | -172.6 | 171.2 | 104 | -152.2 | -9.8 | 0 | 0 | 0 | 111.7 | | |
| 284 | K | 39.4 | Very low | 32.4 | Very low | 168 Ų | 168 | 134.2 Ų | 134.2 | 73% | 0.73 | 74% | 0.742 | S | S | * | * | | | trans | -88.8 | 156.2 | 167.5 | -68.4 | 174.8 | 176.4 | 177.7 | 0 | 111.2 | | |
| 285 | H | 32.1 | Very low | 32.6 | Very low | 176 Ų | 176 | 134.2 Ų | 134.2 | 82% | 0.815 | 75% | 0.748 | S | S | * | * | | | | 165.8 | 145.1 | 110.9 | -96.6 | -85.1 | 0 | 0 | 0 | 114.8 | | |
| 286 | H | 35.6 | Very low | 32.6 | Very low | 150 Ų | 150 | 132.2 Ų | 132.2 | 69% | 0.694 | 75% | 0.751 | S | S | * | * | | | trans | -84.9 | 159.8 | 158.2 | -165.3 | -118.5 | 0 | 0 | 0 | 107.3 | | |
| 287 | P | 46.8 | Very low | 32.4 | Very low | 99 Ų | 99 | 129.4 Ų | 129.4 | 64% | 0.643 | 75% | 0.75 | S | S | * | * | | | | -160.5 | 167.9 | 53.2 | 46.2 | -23.7 | 0 | 0 | 0 | 122.7 | | |
| 288 | E | 27.3 | Very low | 33.2 | Very low | 161 Ų | 161 | 130.8 Ų | 130.8 | 75% | 0.752 | 75% | 0.751 | S | S | * | * | | | trans | 56.9 | 160.9 | 136.2 | -77 | -179.8 | 93.3 | 0 | 0 | 125.1 | | |
| 289 | S | 32.7 | Very low | 33.2 | Very low | 109 Ų | 109 | 133.5 Ų | 133.5 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | | | trans | 86.6 | 144.1 | 151.6 | -151.6 | 0 | 0 | 0 | 0 | 117.9 | | |
| 290 | S | 33.8 | Very low | 33.3 | Very low | 89 Ų | 89 | 130.2 Ų | 130.2 | 62% | 0.622 | 76% | 0.757 | S | S | * | * | | | cis | -172.4 | 159.1 | -23.4 | -88.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 291 | Q | 33.6 | Very low | 33.4 | Very low | 175 Ų | 175 | 129.1 Ų | 129.1 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | | | trans | 64 | 160.2 | 149.3 | -80.4 | -177.6 | -107.4 | 0 | 0 | 119.5 | | |
| 292 | K | 33.8 | Very low | 33.4 | Very low | 148 Ų | 148 | 133.7 Ų | 133.7 | 64% | 0.643 | 77% | 0.767 | S | S | * | * | | | cis | -164.5 | 166 | -30.5 | -146.3 | 176.8 | 162.8 | -74.4 | 0 | 109.1 | | |
| 293 | D | 27.8 | Very low | 33.4 | Very low | 109 Ų | 109 | 134.3 Ų | 134.3 | 58% | 0.583 | 77% | 0.772 | S | S | * | * | | | trans | 64.6 | 106.2 | 152.1 | -62.6 | -34.1 | 0 | 0 | 0 | 123 | | |
| 294 | S | 34.5 | Very low | 34 | Very low | 105 Ų | 105 | 136.2 Ų | 136.2 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | | | | 74.7 | 120.2 | 110.8 | -57.5 | 0 | 0 | 0 | 0 | 124.2 | | |
| 295 | S | 32.7 | Very low | 33.9 | Very low | 131 Ų | 131 | 134.2 Ų | 134.2 | 92% | 0.916 | 78% | 0.777 | S | S | * | * | | | trans | 71.1 | 128 | 131.8 | -158.9 | 0 | 0 | 0 | 0 | 121.3 | | |
| 296 | G | 29.9 | Very low | 33.7 | Very low | 75 Ų | 75 | 132.5 Ų | 132.5 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | | | trans | 161.6 | 99.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 297 | V | 33 | Very low | 33.5 | Very low | 139 Ų | 139 | 131.4 Ų | 131.4 | 84% | 0.842 | 79% | 0.786 | S | S | * | * | | | trans | -115 | 127.6 | 170.9 | 166.5 | 0 | 0 | 0 | 0 | 107.8 | | |
| 298 | P | 48.2 | Very low | 32.7 | Very low | 128 Ų | 128 | 130 Ų | 130 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | | | | -145.5 | 175.7 | 102.6 | 36.2 | -18.1 | 0 | 0 | 0 | 115.7 | | |
| 299 | Q | 30.3 | Very low | 33 | Very low | 190 Ų | 190 | 131.1 Ų | 131.1 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | | | trans | -90.6 | 151.5 | -170.7 | -57 | 174.8 | -4 | 0 | 0 | 114.7 | | |
| 300 | A | 30.2 | Very low | 32.8 | Very low | 105 Ų | 105 | 131.8 Ų | 131.8 | 87% | 0.868 | 80% | 0.795 | S | S | * | * | | | trans | -153.4 | 148.3 | 143.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 301 | A | 31.5 | Very low | 32.7 | Very low | 94 Ų | 94 | 131.8 Ų | 131.8 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | | | trans | -103.6 | 169.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 302 | K | 31.4 | Very low | 32.6 | Very low | 199 Ų | 199 | 131.1 Ų | 131.1 | 87% | 0.865 | 79% | 0.791 | S | S | * | * | | | cis | -143 | 165.2 | 19 | -55.8 | 163.7 | -174.9 | 172.8 | 0 | 107 | | |
| 303 | S | 30.8 | Very low | 32.7 | Very low | 119 Ų | 119 | 131.9 Ų | 131.9 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | | | cis | -165.6 | -179.4 | 40.4 | 49 | 0 | 0 | 0 | 0 | 111.8 | | |
| 304 | K | 38.7 | Very low | 32.7 | Very low | 192 Ų | 192 | 132.4 Ų | 132.4 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | | | trans | -90.8 | 162.1 | -174.6 | -42.3 | -176.1 | 179 | -175.9 | 0 | 112.5 | | |
| 305 | P | 36.7 | Very low | 32.5 | Very low | 126 Ų | 126 | 133.4 Ų | 133.4 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | | | | -132.4 | 147.4 | 69.1 | 38.1 | -26 | 0 | 0 | 0 | 114.7 | | |
| 306 | T | 29.4 | Very low | 32.5 | Very low | 139 Ų | 139 | 136 Ų | 136 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | | | trans | -154.8 | 140.6 | 173.8 | -42.8 | 0 | 0 | 0 | 0 | 111 | | |
| 307 | C | 31.2 | Very low | 32.4 | Very low | 127 Ų | 127 | 138.9 Ų | 138.9 | 86% | 0.858 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 153.9 | 176.7 | -168.5 | 0 | 0 | 0 | 0 | 111.3 | | |
| 308 | G | 30 | Very low | 32.1 | Very low | 69 Ų | 69 | 139.2 Ų | 139.2 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 132.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 309 | Q | 32.7 | Very low | 31.1 | Very low | 185 Ų | 185 | 140 Ų | 140 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 170.3 | 148.3 | -70.2 | 179.6 | -19.4 | 0 | 0 | 107.9 | | |
| 310 | V | 29.1 | Very low | 31.1 | Very low | 124 Ų | 124 | 135 Ų | 135 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | | | | 173.7 | 131.9 | 81.8 | 154 | 0 | 0 | 0 | 0 | 104 | | |
| 311 | S | 32.4 | Very low | 30.9 | Very low | 88 Ų | 88 | 136.3 Ų | 136.3 | 62% | 0.615 | 80% | 0.799 | S | S | * | * | | | | 74.1 | 141.4 | 61.5 | -130.5 | 0 | 0 | 0 | 0 | 115.4 | | |
| 312 | E | 31.3 | Very low | 30.9 | Very low | 162 Ų | 162 | 137.1 Ų | 137.1 | 76% | 0.757 | 80% | 0.798 | S | S | * | * | | | trans | 22.4 | 117.4 | 175.7 | -68.3 | 117.2 | 133.2 | 0 | 0 | 119.8 | | |
| 313 | E | 35.2 | Very low | 30.7 | Very low | 164 Ų | 164 | 134.5 Ų | 134.5 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | | | | 107.1 | 123.1 | 62.3 | -166.6 | -149 | 115.3 | 0 | 0 | 109.9 | | |
| 314 | T | 28.4 | Very low | 30.6 | Very low | 120 Ų | 120 | 132.6 Ų | 132.6 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | | | trans | 171.2 | 161.1 | 134.6 | 30.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 315 | S | 29.2 | Very low | 30.3 | Very low | 125 Ų | 125 | 132.3 Ų | 132.3 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | | | trans | 83.3 | 132.2 | 157.6 | -55.4 | 0 | 0 | 0 | 0 | 119.8 | | |
| 316 | Q | 32.9 | Very low | 30.5 | Very low | 186 Ų | 186 | 133.9 Ų | 133.9 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | | | trans | -123.7 | 141.4 | 177 | 167.4 | -168.8 | 29.1 | 0 | 0 | 107.4 | | |
| 317 | T | 27.1 | Very low | 30.7 | Very low | 135 Ų | 135 | 134.2 Ų | 134.2 | 83% | 0.828 | 79% | 0.792 | S | S | * | * | | | trans | 169.8 | 149.1 | 148.3 | -75.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 318 | D | 27.8 | Very low | 31.1 | Very low | 147 Ų | 147 | 133.5 Ų | 133.5 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | | | trans | -56.3 | 152.1 | 173.6 | -79.9 | -85 | 0 | 0 | 0 | 116.3 | | |
| 319 | T | 25.9 | Very low | 31.5 | Very low | 144 Ų | 144 | 136.6 Ų | 136.6 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | | | | -170.1 | 145.2 | 120.9 | -74.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 320 | A | 31.5 | Very low | 32 | Very low | 85 Ų | 85 | 136.1 Ų | 136.1 | 70% | 0.702 | 79% | 0.792 | S | S | * | * | | | trans | -108.2 | 164.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 321 | V | 26.2 | Very low | 32.3 | Very low | 132 Ų | 132 | 139.3 Ų | 139.3 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | | | | 170.1 | 139.8 | 129.6 | 151.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 322 | C | 31.3 | Very low | 32.5 | Very low | 112 Ų | 112 | 144.3 Ų | 144.3 | 76% | 0.757 | 81% | 0.806 | S | S | * | * | | | trans | 1.9 | 159.4 | 157.5 | -50.8 | 0 | 0 | 0 | 0 | 121.5 | | |
| 323 | T | 26.9 | Very low | 33 | Very low | 144 Ų | 144 | 145.9 Ų | 145.9 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | | | cis | -148.1 | 166.6 | 35.4 | 50 | 0 | 0 | 0 | 0 | 114.4 | | |
| 324 | G | 28.7 | Very low | 33.2 | Very low | 79 Ų | 79 | 142.5 Ų | 142.5 | 81% | 0.814 | 81% | 0.814 | S | S | * | * | | | trans | 170.6 | 115.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 325 | E | 33.3 | Very low | 33.5 | Very low | 185 Ų | 185 | 142 Ų | 142 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | | | trans | -97.3 | 145.5 | 177.1 | -58.9 | 172.8 | 102 | 0 | 0 | 111 | | |
| 326 | Q | 39.5 | Very low | 34.4 | Very low | 159 Ų | 159 | 142.6 Ų | 142.6 | 74% | 0.743 | 81% | 0.814 | S | S | * | * | | | | 171.8 | 144.5 | 105.6 | -94.3 | -159.8 | -3.6 | 0 | 0 | 116.1 | | |
| 327 | L | 35.1 | Very low | 35.2 | Very low | 146 Ų | 146 | 140.4 Ų | 140.4 | 76% | 0.764 | 81% | 0.805 | S | S | * | * | | | trans | 58.5 | 128.6 | 143.7 | -62.4 | 176.3 | 0 | 0 | 0 | 122.2 | | |
| 328 | S | 38.8 | Very low | 36.1 | Very low | 112 Ų | 112 | 138.4 Ų | 138.4 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | | | trans | -93.6 | 146.1 | 162.8 | 50 | 0 | 0 | 0 | 0 | 111.7 | | |
| 329 | T | 37.9 | Very low | 36.3 | Very low | 134 Ų | 134 | 137.1 Ų | 137.1 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | | | trans | -137 | 165 | 164.2 | 54 | 0 | 0 | 0 | 0 | 110.3 | | |
| 330 | Q | 42.4 | Very low | 36.8 | Very low | 176 Ų | 176 | 139.1 Ų | 139.1 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | | | trans | -133.8 | 121.6 | -158.8 | 175 | -172.8 | 75.9 | 0 | 0 | 112 | | |
| 331 | F | 36.5 | Very low | 36.9 | Very low | 190 Ų | 190 | 140.1 Ų | 140.1 | 83% | 0.833 | 80% | 0.8 | S | S | * | * | | | trans | -134.5 | 123.1 | 164.9 | -65.2 | -87.7 | 0 | 0 | 0 | 107.7 | | |
| 332 | K | 36.4 | Very low | 37.5 | Very low | 193 Ų | 193 | 139.3 Ų | 139.3 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | | | cis | 93.4 | 65.8 | 36.7 | -164 | -179.2 | -176.6 | -178.3 | 0 | 112.3 | | |
| 333 | E | 41.5 | Very low | 37.7 | Very low | 195 Ų | 195 | 140.4 Ų | 140.4 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | | | trans | -69.1 | 143.9 | 170.3 | -168.5 | 177.1 | 169.7 | 0 | 0 | 111.2 | | |
| 334 | A | 40.4 | Very low | 38.9 | Very low | 94 Ų | 94 | 138.6 Ų | 138.6 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | | | trans | -94.6 | 111.6 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 335 | S | 33.5 | Very low | 39.8 | Very low | 108 Ų | 108 | 143.5 Ų | 143.5 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | | | trans | -78 | 139 | 172.9 | -176.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 336 | T | 48.2 | Very low | 40.6 | Very low | 139 Ų | 139 | 142.2 Ų | 142.2 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | | | trans | -114 | 107.6 | 170.3 | -57.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 337 | M | 50.2 | Low | 40.9 | Very low | 140 Ų | 140 | 140 Ų | 140 | 69% | 0.69 | 80% | 0.798 | S | S | * | * | | | trans | -102.4 | 168.6 | 163.6 | -55.2 | -161.1 | 78.8 | 0 | 0 | 108.4 | | |
| 338 | T | 46 | Very low | 41.2 | Very low | 93 Ų | 93 | 139.8 Ų | 139.8 | 57% | 0.571 | 79% | 0.792 | S | S | * | * | | | cis | -151.6 | 173 | 17 | -27.8 | 0 | 0 | 0 | 0 | 108.3 | F340 | T338-F340 HydrophobicContact CG2-CD2 3.86Å; T338-F340 HydrophobicContact CG2-CE2 3.69Å |
| 339 | S | 32 | Very low | 41.6 | Very low | 119 Ų | 119 | 142 Ų | 142 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | | | | -172.3 | 152.5 | 90.3 | -70.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 340 | F | 37.5 | Very low | 42.5 | Very low | 186 Ų | 186 | 143.5 Ų | 143.5 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | | | trans | -98.8 | 144.6 | -178.4 | -63.4 | -93.4 | 0 | 0 | 0 | 112.4 | T338 | T338-F340 HydrophobicContact CG2-CD2 3.86Å; T338-F340 HydrophobicContact CG2-CE2 3.69Å |
| 341 | A | 31.8 | Very low | 43.2 | Very low | 106 Ų | 106 | 144.1 Ų | 144.1 | 88% | 0.876 | 80% | 0.798 | S | S | * | * | | | trans | -136.9 | 130.2 | 154.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 342 | S | 40.4 | Very low | 43.9 | Very low | 115 Ų | 115 | 141 Ų | 141 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | trans | -102.3 | 136.2 | -175.6 | 54.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 343 | T | 34.7 | Very low | 44.7 | Very low | 135 Ų | 135 | 139.8 Ų | 139.8 | 83% | 0.828 | 79% | 0.792 | S | S | * | * | | | trans | -160.9 | 122.1 | 150.3 | -3 | 0 | 0 | 0 | 0 | 108.7 | K345 | T343-K345 PolarHBondContact O-N 2.92Š|
| 344 | A | 52.4 | Low | 45.8 | Very low | 107 Ų | 107 | 135.3 Ų | 135.3 | 88% | 0.884 | 79% | 0.788 | S | S | * | * | | | trans | -70.5 | 122.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 345 | K | 46.6 | Very low | 46.3 | Very low | 182 Ų | 182 | 135.9 Ų | 135.9 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | | | trans | -129.5 | 122.6 | 162.9 | -72 | -172.8 | 178.5 | 178.2 | 0 | 108.8 | T343 C347 | T343-K345 PolarHBondContact O-N 2.92Å; K345-C347 PolarHBondContact O-N 2.87Å |
| 346 | Q | 50.5 | Low | 47.1 | Very low | 158 Ų | 158 | 134.7 Ų | 134.7 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | | | trans | -77.7 | 86.3 | -179.9 | -176.7 | -177.3 | -13 | 0 | 0 | 109.3 | H348 | Q346-H348 VanDerWaalsContact CD-CE1 3.41Å; Q346-H348 PolarHBondContact NE2-CE1 3.21Å; Q346-H348 PolarHBondContact NE2-NE2 3.38Å; Q346-H348 PolarHBondContact O-N 3.41Å; Q346-H348 VanDerWaalsContact O-N 3.09Å; Q346-H348 PolarHBondContact O-ND1 3.43Å; Q346-H348 VanDerWaalsContact O-ND1 3.09Å |
| 347 | C | 45.2 | Very low | 47 | Very low | 112 Ų | 112 | 136.7 Ų | 136.7 | 76% | 0.757 | 78% | 0.778 | S | S | * | * | | | trans | -58.3 | 113.4 | 170 | -61.6 | 0 | 0 | 0 | 0 | 108.8 | K345 | K345-C347 PolarHBondContact O-N 2.87Š|
| 348 | H | 43.1 | Very low | 47.1 | Very low | 141 Ų | 141 | 135.8 Ų | 135.8 | 65% | 0.653 | 78% | 0.78 | S | S | * | * | | | trans | -91.3 | 113.1 | 165.5 | -70.5 | 73.6 | 0 | 0 | 0 | 106.7 | Q346 M350 | Q346-H348 VanDerWaalsContact CD-CE1 3.41Å; Q346-H348 PolarHBondContact NE2-CE1 3.21Å; Q346-H348 PolarHBondContact NE2-NE2 3.38Å; Q346-H348 PolarHBondContact O-N 3.41Å; Q346-H348 VanDerWaalsContact O-N 3.09Å; Q346-H348 PolarHBondContact O-ND1 3.43Å; Q346-H348 VanDerWaalsContact O-ND1 3.09Å; H348-M350 PolarHBondContact O-N 2.96Å |
| 349 | D | 46.8 | Very low | 47.1 | Very low | 159 Ų | 159 | 136.7 Ų | 136.7 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | | | trans | -65.8 | 105.6 | 172 | -70.7 | -34.5 | 0 | 0 | 0 | 108.6 | E351 | D349-E351 PolarHBondContact O-N 2.97Å; D349-E351 VanDerWaalsContact O-N 3.13Å |
| 350 | M | 55.6 | Low | 47.7 | Very low | 166 Ų | 166 | 136.5 Ų | 136.5 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | -84.9 | 90.2 | -175.1 | -167.4 | 163.4 | 64.7 | 0 | 0 | 109.2 | H348 V352 | H348-M350 PolarHBondContact O-N 2.96Å; M350-V352 PolarHBondContact O-N 3.13Å |
| 351 | E | 57.9 | Low | 48.4 | Very low | 188 Ų | 188 | 137.1 Ų | 137.1 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | | | trans | -62.9 | 91.1 | -176.6 | -168.7 | 172.2 | -150.8 | 0 | 0 | 111.6 | D349 Q353 | D349-E351 PolarHBondContact O-N 2.97Å; D349-E351 VanDerWaalsContact O-N 3.13Å; E351-Q353 PolarHBondContact O-N 3.02Å |
| 352 | V | 52.2 | Low | 49.5 | Very low | 126 Ų | 126 | 136.7 Ų | 136.7 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | | | trans | -71.8 | 87.1 | 177.9 | -80.6 | 0 | 0 | 0 | 0 | 110.9 | M350 A354 | M350-V352 PolarHBondContact O-N 3.13Å; V352-A354 PolarHBondContact O-N 3.2Å |
| 353 | Q | 53.2 | Low | 49.9 | Very low | 167 Ų | 167 | 137.2 Ų | 137.2 | 78% | 0.78 | 79% | 0.786 | S | S | * | * | | | trans | -69.7 | 87.5 | -179.1 | -168.7 | 170.7 | 11.1 | 0 | 0 | 112 | E351 V355 | E351-Q353 PolarHBondContact O-N 3.02Å; Q353-V355 HydrophobicContact CG-CG2 4.24Å; Q353-V355 PolarHBondContact O-N 3.38Å |
| 354 | A | 62.9 | Low | 50.4 | Low | 100 Ų | 100 | 134.4 Ų | 134.4 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | | | trans | -69.9 | 91.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | V352 A356 | V352-A354 PolarHBondContact O-N 3.2Å; A354-A356 PolarHBondContact O-N 3.26Å |
| 355 | V | 51.8 | Low | 50.5 | Low | 106 Ų | 106 | 135.3 Ų | 135.3 | 64% | 0.642 | 78% | 0.779 | S | S | * | * | | | trans | -79.2 | 109.3 | 173.8 | -178.1 | 0 | 0 | 0 | 0 | 109.9 | Q353 E357 | Q353-V355 HydrophobicContact CG-CG2 4.24Å; Q353-V355 PolarHBondContact O-N 3.38Å; V355-E357 HydrophobicContact CG1-CG 4.19Å |
| 356 | A | 51 | Low | 50.3 | Low | 83 Ų | 83 | 132 Ų | 132 | 69% | 0.686 | 78% | 0.778 | S | S | * | * | | | trans | -94.2 | 101.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | A354 T358 | A354-A356 PolarHBondContact O-N 3.26Å; A356-T358 PolarHBondContact O-N 2.89Å |
| 357 | E | 45.8 | Very low | 50.2 | Low | 181 Ų | 181 | 130 Ų | 130 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | | | trans | -77.3 | 86.4 | 175 | -68.7 | -161.9 | 145.4 | 0 | 0 | 112 | V355 S359 | V355-E357 HydrophobicContact CG1-CG 4.19Å; E357-S359 PolarHBondContact O-N 2.82Å |
| 358 | T | 51 | Low | 50 | Low | 121 Ų | 121 | 129.6 Ų | 129.6 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | | | trans | -83.8 | 88.2 | 174.2 | 55.6 | 0 | 0 | 0 | 0 | 111.4 | A356 S360 | A356-T358 PolarHBondContact O-N 2.89Å; T358-S360 PolarHBondContact O-N 2.77Å; T358-S360 VanDerWaalsContact O-N 3.11Å |
| 359 | S | 46.3 | Very low | 50.5 | Low | 112 Ų | 112 | 130.3 Ų | 130.3 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | | | trans | -80.1 | 85.2 | 177.5 | 52.9 | 0 | 0 | 0 | 0 | 112.7 | E357 K361 | E357-S359 PolarHBondContact O-N 2.82Å; S359-K361 VanDerWaalsContact C-N 3.35Å; S359-K361 PolarHBondContact O-N 3.13Å |
| 360 | S | 44.6 | Very low | 51.1 | Low | 115 Ų | 115 | 129.6 Ų | 129.6 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | | | trans | -66.8 | 84.8 | 175.3 | -64 | 0 | 0 | 0 | 0 | 112.4 | T358 A362 | T358-S360 PolarHBondContact O-N 2.77Å; T358-S360 VanDerWaalsContact O-N 3.11Å; S360-A362 VanDerWaalsContact C-N 3.35Å; S360-A362 PolarHBondContact O-N 3.07Å |
| 361 | K | 53.2 | Low | 50.8 | Low | 199 Ų | 199 | 127.7 Ų | 127.7 | 87% | 0.865 | 78% | 0.781 | S | S | * | * | | | trans | -82.7 | 73.4 | -176.2 | -157.9 | 171.4 | -171.4 | 175.2 | 0 | 111.9 | S359 V363 | S359-K361 VanDerWaalsContact C-N 3.35Å; S359-K361 PolarHBondContact O-N 3.13Å; K361-V363 PolarHBondContact O-N 3.01Å |
| 362 | A | 54.6 | Low | 49.7 | Very low | 98 Ų | 98 | 129.1 Ų | 129.1 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | | | trans | -67 | 125.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S360 | S360-A362 VanDerWaalsContact C-N 3.35Å; S360-A362 PolarHBondContact O-N 3.07Å |
| 363 | V | 47.8 | Very low | 49.2 | Very low | 126 Ų | 126 | 127.9 Ų | 127.9 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | | | trans | -97.3 | 103.4 | 171.4 | 176 | 0 | 0 | 0 | 0 | 108.2 | K361 T365 | K361-V363 PolarHBondContact O-N 3.01Å; V363-T365 HydrophobicContact CG1-CG2 4.23Å; V363-T365 PolarHBondContact O-N 3.45Å |
| 364 | G | 46.6 | Very low | 48.4 | Very low | 76 Ų | 76 | 123.1 Ų | 123.1 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | | | trans | -86.7 | 98.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 365 | T | 53.1 | Low | 47.1 | Very low | 125 Ų | 125 | 124.6 Ų | 124.6 | 77% | 0.767 | 79% | 0.788 | S | S | * | * | | | trans | -103.3 | 73 | 169.9 | 52.3 | 0 | 0 | 0 | 0 | 110.8 | V363 | V363-T365 HydrophobicContact CG1-CG2 4.23Å; V363-T365 PolarHBondContact O-N 3.45Å |
| 366 | S | 42.6 | Very low | 46.2 | Very low | 112 Ų | 112 | 123.2 Ų | 123.2 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -85 | 120 | 170.7 | -59 | 0 | 0 | 0 | 0 | 110.1 | S368 | S366-S368 PolarHBondContact O-N 3.27Š|
| 367 | P | 49.2 | Very low | 45.7 | Very low | 118 Ų | 118 | 125.9 Ų | 125.9 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 119.2 | 171.9 | 28.9 | -32.2 | 0 | 0 | 0 | 109.7 | | |
| 368 | S | 41.7 | Very low | 45.7 | Very low | 103 Ų | 103 | 123.1 Ų | 123.1 | 72% | 0.72 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -80 | 120.4 | 174.3 | -173.6 | 0 | 0 | 0 | 0 | 110.2 | S366 | S366-S368 PolarHBondContact O-N 3.27Š|
| 369 | L | 52.2 | Low | 45.1 | Very low | 156 Ų | 156 | 126.8 Ų | 126.8 | 82% | 0.817 | 80% | 0.8 | S | S | * | * | | | trans | -114.7 | 75.6 | 171.8 | -68.5 | -179.5 | 0 | 0 | 0 | 110.2 | | |
| 370 | L | 60.6 | Low | 44.7 | Very low | 144 Ų | 144 | 130.3 Ų | 130.3 | 75% | 0.754 | 80% | 0.804 | S | S | * | * | | | trans | -134.9 | 121 | 165.2 | -71.6 | 176.9 | 0 | 0 | 0 | 109.3 | | |
| 371 | P | 47.8 | Very low | 44.3 | Very low | 126 Ų | 126 | 132 Ų | 132 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | trans | -72.4 | 134 | 172.9 | 29.8 | -32.8 | 0 | 0 | 0 | 110.4 | A373 | P371-A373 PolarHBondContact O-N 2.86Š|
| 372 | F | 35.4 | Very low | 43.9 | Very low | 217 Ų | 217 | 126.2 Ų | 126.2 | 95% | 0.952 | 79% | 0.789 | S | S | * | * | | | trans | -73 | 121.6 | 173.2 | -91.7 | -100.7 | 0 | 0 | 0 | 110.9 | | |
| 373 | A | 41.3 | Very low | 43 | Very low | 101 Ų | 101 | 131.2 Ų | 131.2 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | | | trans | -117.5 | 132.4 | 156 | 0 | 0 | 0 | 0 | 0 | 107.9 | P371 | P371-A373 PolarHBondContact O-N 2.86Š|
| 374 | G | 36.1 | Very low | 42.7 | Very low | 66 Ų | 66 | 130.6 Ų | 130.6 | 68% | 0.68 | 80% | 0.796 | S | S | * | * | | | trans | -103.5 | 159 | -164.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 375 | S | 37.1 | Very low | 42.2 | Very low | 132 Ų | 132 | 134.4 Ų | 134.4 | 92% | 0.923 | 80% | 0.798 | S | S | * | * | | | trans | 55.4 | 114.2 | 157.4 | 58.2 | 0 | 0 | 0 | 0 | 119.6 | | |
| 376 | G | 31.6 | Very low | 41.4 | Very low | 77 Ų | 77 | 132.8 Ų | 132.8 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | | | trans | 175.3 | 105.9 | 162 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 377 | V | 42.3 | Very low | 41.2 | Very low | 138 Ų | 138 | 132.2 Ų | 132.2 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | | | trans | -141.3 | 117.4 | 172.7 | 174 | 0 | 0 | 0 | 0 | 107.8 | | |
| 378 | P | 44 | Very low | 40.6 | Very low | 123 Ų | 123 | 132.7 Ų | 132.7 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | | | | -127.2 | 154.7 | 99.6 | 8.7 | 13.6 | 0 | 0 | 0 | 111.2 | | |
| 379 | R | 39.4 | Very low | 40.2 | Very low | 198 Ų | 198 | 136.3 Ų | 136.3 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | | | cis | 76.7 | 75.8 | 48.7 | -164.9 | -124.3 | 156.6 | 175.4 | -12.2 | 115.7 | E381 | R379-E381 IonicContact NH2-OE2 3.9Å; R379-E381 PolarHBondContact NH2-OE2 2.84Å |
| 380 | E | 37.2 | Very low | 39.8 | Very low | 187 Ų | 187 | 134.1 Ų | 134.1 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | | | trans | -142.4 | 135.1 | 138.2 | -85 | -179.4 | 122.7 | 0 | 0 | 105.3 | | |
| 381 | E | 36.8 | Very low | 38.9 | Very low | 149 Ų | 149 | 133.2 Ų | 133.2 | 70% | 0.696 | 79% | 0.788 | S | S | * | * | | | cis | 98 | 109.1 | 41.1 | -165.4 | 144.8 | -174.6 | 0 | 0 | 113.1 | R379 | R379-E381 IonicContact NH2-OE2 3.9Å; R379-E381 PolarHBondContact NH2-OE2 2.84Å |
| 382 | A | 44.4 | Very low | 38.4 | Very low | 78 Ų | 78 | 134.9 Ų | 134.9 | 65% | 0.645 | 79% | 0.79 | S | S | * | * | | | trans | 27.9 | 118.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 383 | Q | 35.9 | Very low | 38.6 | Very low | 204 Ų | 204 | 133.5 Ų | 133.5 | 95% | 0.953 | 79% | 0.786 | S | S | * | * | | | | -153.9 | 144.5 | 114.2 | -110.9 | 145 | 98.4 | 0 | 0 | 112.9 | | |
| 384 | S | 41.6 | Very low | 38.3 | Very low | 112 Ų | 112 | 133.5 Ų | 133.5 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | | | trans | -111.3 | 128.1 | 175.8 | 179.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 385 | L | 35.4 | Very low | 38.7 | Very low | 157 Ų | 157 | 138 Ų | 138 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | | | trans | -136.6 | 86.1 | 177.9 | -149.8 | 80.8 | 0 | 0 | 0 | 111.2 | V387 | L385-V387 HydrophobicContact CD2-CG2 4.24Å; L385-V387 HydrophobicContact CG-CG2 4.46Å; L385-V387 PolarHBondContact O-N 3.47Å |
| 386 | A | 38.1 | Very low | 38.6 | Very low | 91 Ų | 91 | 135.3 Ų | 135.3 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | | | trans | -82 | 103.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | V388 | A386-V388 PolarHBondContact O-N 3.11Š|
| 387 | V | 36.6 | Very low | 39.1 | Very low | 99 Ų | 99 | 136.1 Ų | 136.1 | 60% | 0.6 | 79% | 0.787 | S | S | * | * | | | trans | -81.8 | 105.2 | 176.6 | -179.9 | 0 | 0 | 0 | 0 | 109.6 | L385 F389 | L385-V387 HydrophobicContact CD2-CG2 4.24Å; L385-V387 HydrophobicContact CG-CG2 4.46Å; L385-V387 PolarHBondContact O-N 3.47Å; V387-F389 HydrophobicContact CG1-CD2 4.07Å; V387-F389 HydrophobicContact CG1-CE2 3.76Å; V387-F389 HydrophobicContact CG1-CZ 4.37Å |
| 388 | V | 38.2 | Very low | 38.7 | Very low | 129 Ų | 129 | 140.9 Ų | 140.9 | 78% | 0.782 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 118.7 | 169.1 | 178 | 0 | 0 | 0 | 0 | 108.7 | A386 | A386-V388 PolarHBondContact O-N 3.11Š|
| 389 | F | 33.4 | Very low | 38.3 | Very low | 178 Ų | 178 | 142.8 Ų | 142.8 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 128.2 | 167.2 | -82.1 | -90.8 | 0 | 0 | 0 | 109.9 | V387 | V387-F389 HydrophobicContact CG1-CD2 4.07Å; V387-F389 HydrophobicContact CG1-CE2 3.76Å; V387-F389 HydrophobicContact CG1-CZ 4.37Å |
| 390 | P | 43 | Very low | 38.1 | Very low | 110 Ų | 110 | 139.6 Ų | 139.6 | 71% | 0.714 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 138.5 | 176.7 | 30.2 | -33.7 | 0 | 0 | 0 | 111.3 | | |
| 391 | V | 40.8 | Very low | 37.9 | Very low | 126 Ų | 126 | 141.2 Ų | 141.2 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 137.1 | 162.5 | 168.3 | 0 | 0 | 0 | 0 | 108.7 | E393 | V391-E393 HydrophobicContact CG1-CG 4.35Š|
| 392 | N | 37.2 | Very low | 37.8 | Very low | 160 Ų | 160 | 140.8 Ų | 140.8 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | | | trans | -132.5 | 123.7 | 161 | -103.7 | -15.6 | 0 | 0 | 0 | 108 | | |
| 393 | E | 40.6 | Very low | 37.3 | Very low | 188 Ų | 188 | 143 Ų | 143 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | | | trans | -85.7 | 133.9 | 175.5 | -64.5 | -179.5 | 117.1 | 0 | 0 | 110.5 | V391 | V391-E393 HydrophobicContact CG1-CG 4.35Š|
| 394 | A | 35.2 | Very low | 37.4 | Very low | 102 Ų | 102 | 138.2 Ų | 138.2 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | | | trans | -148.2 | 139.3 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 395 | V | 44 | Very low | 36.9 | Very low | 160 Ų | 160 | 141 Ų | 141 | 97% | 0.97 | 79% | 0.794 | S | S | * | * | | | trans | -85.8 | 135.3 | -169.9 | 178.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 396 | G | 34.3 | Very low | 36.7 | Very low | 75 Ų | 75 | 138.2 Ų | 138.2 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | | | trans | -176.3 | 91.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 397 | S | 43.3 | Very low | 36.3 | Very low | 95 Ų | 95 | 140.2 Ų | 140.2 | 66% | 0.664 | 79% | 0.791 | S | S | * | * | | | trans | -84.7 | 127 | 172.9 | 54.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 398 | Y | 34.3 | Very low | 36.2 | Very low | 237 Ų | 237 | 140.9 Ų | 140.9 | 93% | 0.929 | 80% | 0.8 | S | S | * | * | | | trans | -159.6 | 159.6 | 141.5 | -86.5 | -53 | 0 | 0 | 0 | 113 | | |
| 399 | Q | 34.1 | Very low | 35.9 | Very low | 164 Ų | 164 | 143.8 Ų | 143.8 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | | | trans | -82.7 | 139.7 | -153.3 | -172.9 | 171.7 | 4.5 | 0 | 0 | 116 | | |
| 400 | I | 36.8 | Very low | 35.9 | Very low | 130 Ų | 130 | 145.8 Ų | 145.8 | 67% | 0.667 | 81% | 0.807 | S | S | * | * | | | trans | 45.9 | 113.2 | 151.1 | -56.4 | 167.9 | 0 | 0 | 0 | 119.1 | | |
| 401 | Y | 31.6 | Very low | 35.2 | Very low | 222 Ų | 222 | 148.5 Ų | 148.5 | 87% | 0.871 | 82% | 0.815 | S | S | * | * | | | trans | -148.2 | 123.9 | 130.7 | -102.2 | -82.2 | 0 | 0 | 0 | 109.1 | | |
| 402 | T | 35.3 | Very low | 34.6 | Very low | 140 Ų | 140 | 147.1 Ų | 147.1 | 86% | 0.859 | 81% | 0.806 | S | S | * | * | | | trans | -107.7 | 87.6 | 175.3 | 51.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 403 | T | 33.6 | Very low | 34.3 | Very low | 124 Ų | 124 | 146 Ų | 146 | 76% | 0.761 | 81% | 0.805 | S | S | * | * | | | trans | -90 | 131.3 | 176.3 | -51.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 404 | S | 37.7 | Very low | 33.8 | Very low | 104 Ų | 104 | 144.9 Ų | 144.9 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | | | trans | -63.6 | 137.6 | 178.6 | -179 | 0 | 0 | 0 | 0 | 112.2 | | |
| 405 | L | 30.9 | Very low | 33.8 | Very low | 171 Ų | 171 | 144.3 Ų | 144.3 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | | | trans | -142 | 90 | 163 | -149.7 | 79.1 | 0 | 0 | 0 | 110.2 | | |
| 406 | S | 30.9 | Very low | 32.9 | Very low | 98 Ų | 98 | 144.6 Ų | 144.6 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | | | trans | -117.4 | 115.8 | 169.5 | -174.1 | 0 | 0 | 0 | 0 | 108.8 | S408 | S406-S408 PolarHBondContact O-N 3.2Å; S406-S408 VanDerWaalsContact O-N 3.12Å |
| 407 | T | 31.2 | Very low | 33 | Very low | 133 Ų | 133 | 149.6 Ų | 149.6 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | | | trans | -78.1 | 92.1 | -178.6 | 48.3 | 0 | 0 | 0 | 0 | 110.7 | E409 | T407-E409 PolarHBondContact O-N 3.06Š|
| 408 | S | 33.1 | Very low | 32.5 | Very low | 113 Ų | 113 | 149.4 Ų | 149.4 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | | | trans | -77.7 | 97.3 | 170.9 | -64.7 | 0 | 0 | 0 | 0 | 110.7 | S406 | S406-S408 PolarHBondContact O-N 3.2Å; S406-S408 VanDerWaalsContact O-N 3.12Å |
| 409 | E | 33.8 | Very low | 33 | Very low | 189 Ų | 189 | 143.6 Ų | 143.6 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | | | trans | -74.9 | 128.6 | 174.7 | -166 | 163.8 | -144.9 | 0 | 0 | 110.9 | T407 L411 | T407-E409 PolarHBondContact O-N 3.06Å; E409-L411 PolarHBondContact O-N 2.96Å |
| 410 | R | 31.6 | Very low | 32.9 | Very low | 221 Ų | 221 | 143.6 Ų | 143.6 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | | | trans | -90.6 | 93.1 | -165.6 | 180 | 180 | 170.4 | 170.3 | -1.7 | 111.6 | T412 | R410-T412 PolarHBondContact O-N 2.8Š|
| 411 | L | 28.5 | Very low | 32.8 | Very low | 167 Ų | 167 | 146.5 Ų | 146.5 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | | | trans | -70.6 | 95.9 | 169.5 | -81 | 172.5 | 0 | 0 | 0 | 111.5 | E409 | E409-L411 PolarHBondContact O-N 2.96Š|
| 412 | T | 29.3 | Very low | 32.7 | Very low | 96 Ų | 96 | 140.4 Ų | 140.4 | 59% | 0.589 | 79% | 0.792 | S | S | * | * | | | trans | -80.5 | 117.8 | 164.3 | -54.4 | 0 | 0 | 0 | 0 | 108.8 | R410 E414 | R410-T412 PolarHBondContact O-N 2.8Å; T412-E414 PolarHBondContact O-N 2.98Å |
| 413 | V | 30.3 | Very low | 32.5 | Very low | 137 Ų | 137 | 139 Ų | 139 | 83% | 0.83 | 79% | 0.794 | S | S | * | * | | | trans | -92.9 | 93.7 | 172.2 | -178.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 414 | E | 30.6 | Very low | 32.2 | Very low | 164 Ų | 164 | 136.9 Ų | 136.9 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | | | trans | -66.3 | 133.4 | 163.1 | -85.1 | -70.7 | 131.4 | 0 | 0 | 109.7 | T412 E416 | T412-E414 PolarHBondContact O-N 2.98Å; E414-E416 PolarHBondContact O-N 3.26Å |
| 415 | A | 34.1 | Very low | 31.9 | Very low | 91 Ų | 91 | 139.9 Ų | 139.9 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | | | trans | -92.9 | 75.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | M417 | A415-M417 PolarHBondContact O-N 3.44Å; A415-M417 VanDerWaalsContact O-N 3.08Å |
| 416 | E | 26.9 | Very low | 31.8 | Very low | 166 Ų | 166 | 137.8 Ų | 137.8 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | | | trans | -65.7 | 108.7 | -177.1 | -164.9 | -171.1 | 133.3 | 0 | 0 | 112 | E414 C418 | E414-E416 PolarHBondContact O-N 3.26Å; E416-C418 PolarHBondContact O-N 3.02Å; E416-C418 VanDerWaalsContact O-N 3.13Å |
| 417 | M | 36.2 | Very low | 31.7 | Very low | 180 Ų | 180 | 138.9 Ų | 138.9 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | | | trans | -84.7 | 82.4 | -177.4 | -164.3 | 92.1 | 70.5 | 0 | 0 | 111 | A415 | A415-M417 PolarHBondContact O-N 3.44Å; A415-M417 VanDerWaalsContact O-N 3.08Å |
| 418 | C | 32.3 | Very low | 31.5 | Very low | 90 Ų | 90 | 139.2 Ų | 139.2 | 61% | 0.608 | 81% | 0.812 | S | S | * | * | | | trans | -65.8 | 140.9 | -176.5 | -117.8 | 0 | 0 | 0 | 0 | 113.3 | E416 | E416-C418 PolarHBondContact O-N 3.02Å; E416-C418 VanDerWaalsContact O-N 3.13Å |
| 419 | P | 43.6 | Very low | 31.3 | Very low | 116 Ų | 116 | 139.8 Ų | 139.8 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | | | trans | -84.1 | 148.1 | -164.6 | 33.2 | -36.7 | 0 | 0 | 0 | 114.2 | | |
| 420 | N | 32.4 | Very low | 31.2 | Very low | 163 Ų | 163 | 137.7 Ų | 137.7 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | | | trans | -115.9 | 113.5 | 173.1 | -89.6 | -85.1 | 0 | 0 | 0 | 112.5 | | |
| 421 | Q | 34.5 | Very low | 31.3 | Very low | 192 Ų | 192 | 131 Ų | 131 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | | | trans | -139.7 | 146.4 | 159.6 | -69.2 | -173.3 | 94.2 | 0 | 0 | 107.7 | | |
| 422 | A | 31.3 | Very low | 31.5 | Very low | 93 Ų | 93 | 132.4 Ų | 132.4 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | | | cis | -169.2 | 139.4 | -22.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 423 | A | 30.3 | Very low | 31.5 | Very low | 111 Ų | 111 | 136.2 Ų | 136.2 | 92% | 0.917 | 81% | 0.814 | S | S | * | * | | | trans | 170.4 | 143.1 | 155.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 424 | G | 26.8 | Very low | 31.7 | Very low | 80 Ų | 80 | 136.4 Ų | 136.4 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | | | trans | 149.7 | 38.4 | 175 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 425 | L | 32.1 | Very low | 31.7 | Very low | 166 Ų | 166 | 134.3 Ų | 134.3 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | | | trans | -73.3 | 124.5 | -179.2 | -101.5 | 163.8 | 0 | 0 | 0 | 112.4 | | |
| 426 | C | 28.2 | Very low | 31.7 | Very low | 127 Ų | 127 | 134.3 Ų | 134.3 | 86% | 0.858 | 80% | 0.798 | S | S | * | * | | | trans | -159.5 | 88.7 | 158.1 | -100.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 427 | S | 28.3 | Very low | 32.1 | Very low | 121 Ų | 121 | 137.4 Ų | 137.4 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | | | trans | -161.7 | 147.5 | 153.8 | -86.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 428 | T | 27.9 | Very low | 32 | Very low | 140 Ų | 140 | 137.4 Ų | 137.4 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | | | trans | -83.1 | 141.3 | -155.3 | -43 | 0 | 0 | 0 | 0 | 115 | | |
| 429 | T | 28.9 | Very low | 32.1 | Very low | 125 Ų | 125 | 136.9 Ų | 136.9 | 77% | 0.767 | 81% | 0.814 | S | S | * | * | | | trans | -32.7 | 127.2 | 163.3 | -50.9 | 0 | 0 | 0 | 0 | 117.1 | | |
| 430 | V | 31.5 | Very low | 31.7 | Very low | 145 Ų | 145 | 136.1 Ų | 136.1 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | | | trans | -146.7 | 148.8 | 130.2 | 174.9 | 0 | 0 | 0 | 0 | 107.5 | | |
| 431 | A | 32.9 | Very low | 32.2 | Very low | 82 Ų | 82 | 138 Ų | 138 | 68% | 0.678 | 82% | 0.819 | S | S | * | * | | | trans | -128.3 | 142 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 432 | Q | 32.9 | Very low | 32.4 | Very low | 195 Ų | 195 | 134.5 Ų | 134.5 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | | | trans | -178.4 | 164.9 | 159.4 | -103.9 | 164.3 | 47.7 | 0 | 0 | 109.2 | | |
| 433 | K | 30 | Very low | 32.7 | Very low | 176 Ų | 176 | 139.5 Ų | 139.5 | 77% | 0.765 | 82% | 0.817 | S | S | * | * | | | | -169.9 | 121 | -56.1 | 171.1 | -179.5 | 171.7 | -174.8 | 0 | 107.8 | | |
| 434 | L | 33.2 | Very low | 33.1 | Very low | 141 Ų | 141 | 142.3 Ų | 142.3 | 74% | 0.738 | 81% | 0.811 | S | S | * | * | | | trans | 69.8 | 146.1 | 162.1 | -71.8 | 179.4 | 0 | 0 | 0 | 122.4 | | |
| 435 | D | 30.4 | Very low | 33.9 | Very low | 121 Ų | 121 | 144 Ų | 144 | 65% | 0.647 | 81% | 0.807 | S | S | * | * | | | trans | 75 | 105.6 | 141.5 | -81.1 | -58.8 | 0 | 0 | 0 | 125 | | |
| 436 | S | 35.9 | Very low | 33.9 | Very low | 90 Ų | 90 | 139.4 Ų | 139.4 | 63% | 0.629 | 80% | 0.799 | S | S | * | * | | | | 59.1 | 112.5 | 110.2 | -60 | 0 | 0 | 0 | 0 | 122 | | |
| 437 | R | 34.3 | Very low | 34.3 | Very low | 232 Ų | 232 | 138.8 Ų | 138.8 | 88% | 0.875 | 80% | 0.797 | S | S | * | * | | | trans | 57 | 105.9 | 138.1 | -58.8 | 176.1 | 176.8 | -100 | 2.3 | 118.3 | | |
| 438 | L | 35.2 | Very low | 34.6 | Very low | 180 Ų | 180 | 137.7 Ų | 137.7 | 94% | 0.942 | 80% | 0.795 | S | S | * | * | | | | -177 | 166.2 | 99.3 | -94.6 | 169.1 | 0 | 0 | 0 | 110.4 | | |
| 439 | G | 32.8 | Very low | 35.1 | Very low | 78 Ų | 78 | 139 Ų | 139 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | trans | -90.2 | 143.2 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 440 | A | 36.5 | Very low | 35.5 | Very low | 100 Ų | 100 | 138.1 Ų | 138.1 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | | | trans | -139.1 | 149.5 | 159.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | P442 | A440-P442 WeakPolarHBondContact O-CD 3.19Š|
| 441 | K | 42.3 | Very low | 35.9 | Very low | 204 Ų | 204 | 136.4 Ų | 136.4 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | | | trans | -106.3 | 109.6 | -175 | 177.3 | -177.9 | -179.1 | 176.5 | 0 | 110.9 | | |
| 442 | P | 37.9 | Very low | 36.8 | Very low | 118 Ų | 118 | 140.3 Ų | 140.3 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 155.2 | 161.2 | -12.1 | 30 | 0 | 0 | 0 | 110.6 | A440 | A440-P442 WeakPolarHBondContact O-CD 3.19Š|
| 443 | K | 37.9 | Very low | 37.7 | Very low | 198 Ų | 198 | 138.6 Ų | 138.6 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 128.9 | -174.2 | -175.2 | 171.3 | 178.4 | 177.1 | 0 | 110.5 | P445 | K443-P445 WeakPolarHBondContact O-CD 3.39Š|
| 444 | E | 38.8 | Very low | 38.4 | Very low | 170 Ų | 170 | 134.6 Ų | 134.6 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -52 | 127.1 | 170.8 | -72 | -80.5 | 129.1 | 0 | 0 | 112.3 | | |
| 445 | P | 44 | Very low | 39.3 | Very low | 116 Ų | 116 | 134.4 Ų | 134.4 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | | | trans | -95.6 | 112 | 150.9 | 32.8 | -22.1 | 0 | 0 | 0 | 108.8 | K443 S447 | K443-P445 WeakPolarHBondContact O-CD 3.39Å; P445-S447 PolarHBondContact O-N 3.46Å |
| 446 | G | 32.3 | Very low | 39.9 | Very low | 68 Ų | 68 | 138.1 Ų | 138.1 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | | | trans | -64.7 | 131.6 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | A448 | G446-A448 PolarHBondContact O-N 2.88Š|
| 447 | S | 35.9 | Very low | 40.5 | Very low | 115 Ų | 115 | 140.9 Ų | 140.9 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | trans | -68.1 | 97.7 | 175.2 | -65.3 | 0 | 0 | 0 | 0 | 112.4 | P445 L449 | P445-S447 PolarHBondContact O-N 3.46Å; S447-L449 PolarHBondContact O-N 2.93Å |
| 448 | A | 36.2 | Very low | 40.9 | Very low | 97 Ų | 97 | 136.7 Ų | 136.7 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | | | trans | -72.7 | 105.4 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | G446 S450 | G446-A448 PolarHBondContact O-N 2.88Å; A448-S450 PolarHBondContact O-N 3.09Å |
| 449 | L | 37.3 | Very low | 41.2 | Very low | 168 Ų | 168 | 134.2 Ų | 134.2 | 88% | 0.88 | 78% | 0.776 | S | S | * | * | | | trans | -67.4 | 101.1 | 175.7 | -68.1 | 171.9 | 0 | 0 | 0 | 110 | S447 S451 | S447-L449 PolarHBondContact O-N 2.93Å; L449-S451 PolarHBondContact O-N 3.42Å; L449-S451 VanDerWaalsContact O-N 3.17Å |
| 450 | S | 36.6 | Very low | 42 | Very low | 107 Ų | 107 | 136.9 Ų | 136.9 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | | | trans | -68.4 | 110.3 | 178.2 | 57.3 | 0 | 0 | 0 | 0 | 110.9 | A448 I452 | A448-S450 PolarHBondContact O-N 3.09Å; S450-I452 PolarHBondContact O-N 3.48Å |
| 451 | S | 40.6 | Very low | 42.7 | Very low | 109 Ų | 109 | 140.2 Ų | 140.2 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | | | trans | -56.6 | 123.2 | 174.4 | -176 | 0 | 0 | 0 | 0 | 111.1 | L449 Q453 | L449-S451 PolarHBondContact O-N 3.42Å; L449-S451 VanDerWaalsContact O-N 3.17Å; S451-Q453 PolarHBondContact O-N 3.11Å; S451-Q453 VanDerWaalsContact O-N 3.16Å |
| 452 | I | 51.1 | Low | 42.7 | Very low | 163 Ų | 163 | 137.9 Ų | 137.9 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | | | trans | -79.5 | 98.6 | -179 | -59.4 | 172.7 | 0 | 0 | 0 | 108.5 | S450 | S450-I452 PolarHBondContact O-N 3.48Š|
| 453 | Q | 53.5 | Low | 42.6 | Very low | 159 Ų | 159 | 136.2 Ų | 136.2 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | | | trans | -81.7 | 136.9 | 170.1 | -68.6 | -166.6 | -13 | 0 | 0 | 111.1 | S451 V455 | S451-Q453 PolarHBondContact O-N 3.11Å; S451-Q453 VanDerWaalsContact O-N 3.16Å; Q453-V455 PolarHBondContact O-N 2.89Å |
| 454 | P | 43.8 | Very low | 42.5 | Very low | 93 Ų | 93 | 134 Ų | 134 | 60% | 0.604 | 75% | 0.75 | S | S | * | * | | | trans | -73.8 | 108.3 | 176.3 | 29.3 | -33.3 | 0 | 0 | 0 | 111 | Y456 | P454-Y456 HydrophobicContact CB-CE2 4.04Å; P454-Y456 HydrophobicContact CG-CE2 4.06Å; P454-Y456 WeakPolarHBondContact O-CD2 3.3Å; P454-Y456 PolarHBondContact O-N 3.35Å |
| 455 | V | 51.3 | Low | 42.3 | Very low | 136 Ų | 136 | 134.4 Ų | 134.4 | 82% | 0.824 | 75% | 0.749 | S | S | * | * | | | trans | -80.1 | 110.1 | 174.4 | 178.4 | 0 | 0 | 0 | 0 | 109.9 | Q453 Q457 | Q453-V455 PolarHBondContact O-N 2.89Å; V455-Q457 PolarHBondContact O-N 3.03Å |
| 456 | Y | 44.2 | Very low | 42 | Very low | 199 Ų | 199 | 137.7 Ų | 137.7 | 78% | 0.78 | 75% | 0.751 | S | S | * | * | | | trans | -85.7 | 101.3 | 174.2 | -68.5 | -84 | 0 | 0 | 0 | 110.8 | P454 | P454-Y456 HydrophobicContact CB-CE2 4.04Å; P454-Y456 HydrophobicContact CG-CE2 4.06Å; P454-Y456 WeakPolarHBondContact O-CD2 3.3Å; P454-Y456 PolarHBondContact O-N 3.35Å |
| 457 | Q | 47.3 | Very low | 42.1 | Very low | 148 Ų | 148 | 141.4 Ų | 141.4 | 69% | 0.692 | 76% | 0.755 | S | S | * | * | | | trans | -85.9 | 110.3 | 176.1 | -175.7 | 175.7 | -5.7 | 0 | 0 | 111.2 | V455 N459 | V455-Q457 PolarHBondContact O-N 3.03Å; Q457-N459 PolarHBondContact NE2-OD1 3.17Å |
| 458 | I | 43.8 | Very low | 41.9 | Very low | 144 Ų | 144 | 141.4 Ų | 141.4 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | | | trans | -97.3 | 112.1 | 175 | -55.4 | 176.8 | 0 | 0 | 0 | 109.2 | I460 | I458-I460 HydrophobicContact CG2-CG1 4.3Š|
| 459 | N | 41.7 | Very low | 41.8 | Very low | 129 Ų | 129 | 144.1 Ų | 144.1 | 69% | 0.69 | 76% | 0.756 | S | S | * | * | | | trans | -88.7 | 111.5 | 174 | -69.3 | -28.6 | 0 | 0 | 0 | 109.9 | Q457 | Q457-N459 PolarHBondContact NE2-OD1 3.17Š|
| 460 | I | 49.8 | Very low | 41.5 | Very low | 133 Ų | 133 | 140.7 Ų | 140.7 | 68% | 0.682 | 75% | 0.753 | S | S | * | * | | | trans | -90 | 104.1 | 174.5 | -57.9 | 178.2 | 0 | 0 | 0 | 109 | I458 H462 | I458-I460 HydrophobicContact CG2-CG1 4.3Å; I460-H462 PolarHBondContact O-N 3.3Å |
| 461 | E | 50.1 | Low | 41.1 | Very low | 171 Ų | 171 | 141.5 Ų | 141.5 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | | | trans | -86.6 | 107.5 | 177.5 | -176.9 | 167.8 | -150.9 | 0 | 0 | 111.4 | S463 | E461-S463 VanDerWaalsContact C-N 3.3Å; E461-S463 PolarHBondContact O-N 3.09Å |
| 462 | H | 42.3 | Very low | 40.5 | Very low | 154 Ų | 154 | 139.9 Ų | 139.9 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | | | trans | -73 | 83.5 | 173.9 | -73.3 | -101.9 | 0 | 0 | 0 | 110.9 | I460 N464 | I460-H462 PolarHBondContact O-N 3.3Å; H462-N464 PolarHBondContact O-N 3.18Å |
| 463 | S | 35.1 | Very low | 39.5 | Very low | 84 Ų | 84 | 137.7 Ų | 137.7 | 59% | 0.587 | 75% | 0.752 | S | S | * | * | | | trans | -66.2 | 89.4 | 173.6 | -77.7 | 0 | 0 | 0 | 0 | 111.6 | E461 K465 | E461-S463 VanDerWaalsContact C-N 3.3Å; E461-S463 PolarHBondContact O-N 3.09Å; S463-K465 PolarHBondContact O-N 3.16Å |
| 464 | N | 37.6 | Very low | 38.2 | Very low | 152 Ų | 152 | 138.1 Ų | 138.1 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | | | trans | -69.4 | 72 | 173.6 | -67.3 | -31.6 | 0 | 0 | 0 | 111.4 | H462 K466 | H462-N464 PolarHBondContact O-N 3.18Å; N464-K466 PolarHBondContact O-N 3.13Å |
| 465 | K | 34.8 | Very low | 37.6 | Very low | 178 Ų | 178 | 140.9 Ų | 140.9 | 77% | 0.774 | 76% | 0.763 | S | S | * | * | | | trans | -69.3 | 94.5 | 173.9 | -71.3 | -170.6 | 177.7 | -175.7 | 0 | 110.2 | S463 | S463-K465 PolarHBondContact O-N 3.16Š|
| 466 | K | 37.7 | Very low | 36.5 | Very low | 185 Ų | 185 | 139.7 Ų | 139.7 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | | | trans | -98.6 | 92.8 | 165.5 | -171.2 | 176.1 | -175.2 | 179.2 | 0 | 108.2 | N464 T468 | N464-K466 PolarHBondContact O-N 3.13Å; K466-T468 PolarHBondContact O-N 3.34Å |
| 467 | D | 33.8 | Very low | 35.8 | Very low | 145 Ų | 145 | 136 Ų | 136 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | | | trans | -62.8 | 122.6 | 177.1 | -65.8 | -52.1 | 0 | 0 | 0 | 109.9 | | |
| 468 | T | 31.3 | Very low | 34.6 | Very low | 116 Ų | 116 | 135.6 Ų | 135.6 | 71% | 0.712 | 77% | 0.771 | S | S | * | * | | | trans | -149.8 | 106.7 | 173.7 | -63.3 | 0 | 0 | 0 | 0 | 107.5 | K466 A470 | K466-T468 PolarHBondContact O-N 3.34Å; T468-A470 PolarHBondContact O-N 3.33Å |
| 469 | V | 33.2 | Very low | 33.8 | Very low | 153 Ų | 153 | 132.8 Ų | 132.8 | 93% | 0.927 | 77% | 0.77 | S | S | * | * | | | trans | -85.8 | 109.4 | -173.3 | 179.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 470 | A | 30.9 | Very low | 32.9 | Very low | 97 Ų | 97 | 136.3 Ų | 136.3 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | | | trans | -152.9 | 131 | 159.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | T468 | T468-A470 PolarHBondContact O-N 3.33Š|
| 471 | S | 29.6 | Very low | 31.7 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | | | trans | -108.3 | 137.9 | 174.9 | -170.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 472 | G | 27.3 | Very low | 30.9 | Very low | 75 Ų | 75 | 131.7 Ų | 131.7 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | | | trans | -157 | 145 | -180 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 473 | V | 30.4 | Very low | 30.1 | Very low | 117 Ų | 117 | 129 Ų | 129 | 71% | 0.709 | 78% | 0.779 | S | S | * | * | | | trans | -129.6 | 138.2 | -152.1 | 174.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 474 | E | 26.8 | Very low | 30.4 | Very low | 169 Ų | 169 | 130.4 Ų | 130.4 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | | | trans | 65 | 166.7 | 166.3 | -79.2 | 174.5 | -149.9 | 0 | 0 | 116.5 | | |
| 475 | I | 30.6 | Very low | 29.8 | Very low | 151 Ų | 151 | 131.3 Ų | 131.3 | 77% | 0.774 | 79% | 0.785 | S | S | * | * | | | cis | -136.8 | 172 | 15.5 | -15.9 | 178.8 | 0 | 0 | 0 | 112 | | |
| 476 | S | 28.7 | Very low | 29.4 | Very low | 111 Ų | 111 | 128.3 Ų | 128.3 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | | | trans | -79.8 | 155.3 | -178.9 | 54.9 | 0 | 0 | 0 | 0 | 114.5 | | |
| 477 | S | 28.1 | Very low | 29 | Very low | 121 Ų | 121 | 124 Ų | 124 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | | | trans | -154.6 | 161.3 | 150.5 | 56.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 478 | T | 23.3 | Very low | 28.8 | Very low | 139 Ų | 139 | 123 Ų | 123 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | | | trans | -120.2 | 153.2 | -172.5 | -52.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 479 | A | 26.1 | Very low | 28.7 | Very low | 86 Ų | 86 | 122 Ų | 122 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | | | trans | 114.1 | 127.9 | 145.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 480 | K | 24.1 | Very low | 28.5 | Very low | 202 Ų | 202 | 120 Ų | 120 | 88% | 0.878 | 78% | 0.781 | S | S | * | * | | | trans | 76.9 | 122 | 132.1 | -161.7 | 172.1 | -178.8 | -177.4 | 0 | 119 | | |
| 481 | A | 25 | Very low | 28.6 | Very low | 83 Ų | 83 | 120 Ų | 120 | 69% | 0.686 | 78% | 0.781 | S | S | * | * | | | trans | -70.9 | 164.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 482 | P | 31.5 | Very low | 28.7 | Very low | 124 Ų | 124 | 119.9 Ų | 119.9 | 81% | 0.805 | 77% | 0.771 | S | S | * | * | | | | -139.5 | 163.1 | 95.8 | 39.2 | -28 | 0 | 0 | 0 | 115.3 | | |
| 483 | S | 27.4 | Very low | 29.2 | Very low | 99 Ų | 99 | 125.8 Ų | 125.8 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | | | trans | -84.7 | 153.9 | 159.4 | -162.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 484 | P | 39.5 | Very low | 29.6 | Very low | 112 Ų | 112 | 127 Ų | 127 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | | | | -127.3 | 156.9 | 91.3 | 11 | 12 | 0 | 0 | 0 | 111.9 | | |
| 485 | E | 26.3 | Very low | 30.2 | Very low | 172 Ų | 172 | 126.5 Ų | 126.5 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | | 53.5 | 136.2 | 69.5 | -68.1 | -157.3 | 150.7 | 0 | 0 | 114.2 | | |
| 486 | T | 27.1 | Very low | 30.5 | Very low | 114 Ų | 114 | 123 Ų | 123 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | | | cis | -164.4 | 162.3 | -4.5 | -93.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 487 | A | 29.1 | Very low | 30.6 | Very low | 96 Ų | 96 | 123 Ų | 123 | 79% | 0.793 | 76% | 0.763 | S | S | * | * | | | trans | 67.9 | 162.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 488 | S | 28.8 | Very low | 30.8 | Very low | 124 Ų | 124 | 126.1 Ų | 126.1 | 87% | 0.867 | 76% | 0.762 | S | S | * | * | | | cis | -153.5 | -179.3 | -20.5 | -168 | 0 | 0 | 0 | 0 | 109.3 | | |
| 489 | A | 28.1 | Very low | 31.5 | Very low | 95 Ų | 95 | 123.8 Ų | 123.8 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | | | trans | -92.9 | 149.4 | -171 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 490 | S | 30.8 | Very low | 31.9 | Very low | 111 Ų | 111 | 128.8 Ų | 128.8 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | | | trans | -168.4 | 147 | 145.9 | 62.2 | 0 | 0 | 0 | 0 | 107.3 | | |
| 491 | A | 32.6 | Very low | 32 | Very low | 95 Ų | 95 | 122.6 Ų | 122.6 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | | | cis | 65.7 | 134.7 | 35 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 492 | D | 30.5 | Very low | 33.7 | Very low | 122 Ų | 122 | 124.7 Ų | 124.7 | 65% | 0.652 | 76% | 0.76 | S | S | * | * | | | cis | -162.5 | 171.5 | -15.3 | 177.1 | 26.1 | 0 | 0 | 0 | 106.3 | | |
| 493 | R | 37.9 | Very low | 34.9 | Very low | 198 Ų | 198 | 124.4 Ų | 124.4 | 75% | 0.747 | 76% | 0.758 | S | S | * | * | | | trans | 79.3 | 109.3 | 159 | -47.1 | -165.9 | 175.4 | 175.9 | -6.8 | 121.7 | | |
| 494 | N | 40 | Very low | 35.4 | Very low | 142 Ų | 142 | 124 Ų | 124 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | | | | 62.8 | 103.2 | 115.2 | -55.4 | -18.9 | 0 | 0 | 0 | 122 | | |
| 495 | N | 39.9 | Very low | 35 | Very low | 159 Ų | 159 | 124.7 Ų | 124.7 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | | | | 60.8 | 128.2 | 107.1 | -165.3 | 37.2 | 0 | 0 | 0 | 120.7 | | |
| 496 | A | 35.8 | Very low | 35.3 | Very low | 77 Ų | 77 | 122.4 Ų | 122.4 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | | | | 169.9 | 172 | 107.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 497 | V | 30.6 | Very low | 35.6 | Very low | 112 Ų | 112 | 123 Ų | 123 | 68% | 0.679 | 77% | 0.765 | S | S | * | * | | | trans | 90.9 | 140.7 | 146.6 | -128.8 | 0 | 0 | 0 | 0 | 123.7 | | |
| 498 | F | 31.6 | Very low | 35.7 | Very low | 187 Ų | 187 | 123.1 Ų | 123.1 | 82% | 0.82 | 77% | 0.765 | S | S | * | * | | | trans | 76.9 | 141.6 | 160.2 | -65.2 | -76.3 | 0 | 0 | 0 | 120.9 | | |
| 499 | S | 38.3 | Very low | 36.1 | Very low | 89 Ų | 89 | 124.7 Ų | 124.7 | 62% | 0.622 | 76% | 0.764 | S | S | * | * | | | cis | 178.4 | 170.5 | -28.7 | -117 | 0 | 0 | 0 | 0 | 116.1 | | |
| 500 | Q | 34.3 | Very low | 36.5 | Very low | 192 Ų | 192 | 125 Ų | 125 | 90% | 0.897 | 77% | 0.766 | S | S | * | * | | | trans | 77.8 | 163.6 | 155.7 | -71.6 | 165.6 | 112.6 | 0 | 0 | 120.1 | | |
| 501 | G | 26.2 | Very low | 36.7 | Very low | 71 Ų | 71 | 123.6 Ų | 123.6 | 73% | 0.732 | 76% | 0.762 | S | S | * | * | | | trans | -172.1 | -116.4 | -168.6 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 502 | P | 60.5 | Low | 36.8 | Very low | 127 Ų | 127 | 124.1 Ų | 124.1 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | | | trans | -80.7 | -179.5 | -147.7 | 37.7 | -43.3 | 0 | 0 | 0 | 116.4 | | |
| 503 | P | 58.6 | Low | 37.4 | Very low | 119 Ų | 119 | 127.4 Ų | 127.4 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | | | cis | -151.5 | -157.3 | 28.7 | 45.9 | -22.8 | 0 | 0 | 0 | 119 | | |
| 504 | A | 37.3 | Very low | 37 | Very low | 89 Ų | 89 | 123.7 Ų | 123.7 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | | | trans | 79.8 | 158.8 | 159.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 505 | T | 31 | Very low | 36.5 | Very low | 128 Ų | 128 | 120.2 Ų | 120.2 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | | | cis | -166 | -179.3 | -18.1 | 26.7 | 0 | 0 | 0 | 0 | 108.3 | | |
| 506 | T | 32.3 | Very low | 36.2 | Very low | 124 Ų | 124 | 117.6 Ų | 117.6 | 76% | 0.761 | 76% | 0.76 | S | S | * | * | | | cis | -159.7 | 159.8 | 11.7 | -11.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 507 | T | 32.4 | Very low | 36.3 | Very low | 126 Ų | 126 | 121 Ų | 121 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | | | trans | -18.1 | 142 | 157.1 | -47.3 | 0 | 0 | 0 | 0 | 124.1 | | |
| 508 | A | 31.5 | Very low | 36.6 | Very low | 98 Ų | 98 | 120.6 Ų | 120.6 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | | | trans | -179.5 | 159.9 | 132.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 509 | N | 38.7 | Very low | 36.9 | Very low | 157 Ų | 157 | 115.5 Ų | 115.5 | 84% | 0.84 | 76% | 0.762 | S | S | * | * | | | trans | -112.9 | 169.1 | -164.1 | -67.6 | -19.7 | 0 | 0 | 0 | 116.8 | | |
| 510 | A | 35.1 | Very low | 36.7 | Very low | 101 Ų | 101 | 119 Ų | 119 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | | | trans | 76.7 | 157 | 143.5 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 511 | A | 35.2 | Very low | 36.9 | Very low | 83 Ų | 83 | 117.7 Ų | 117.7 | 69% | 0.686 | 76% | 0.763 | S | S | * | * | | | cis | -173.3 | 161.6 | -27.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 512 | S | 35.7 | Very low | 37 | Very low | 106 Ų | 106 | 117.6 Ų | 117.6 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | | | trans | 69.7 | 160.7 | 158.8 | -63.7 | 0 | 0 | 0 | 0 | 118.8 | | |
| 513 | K | 41.9 | Very low | 36 | Very low | 190 Ų | 190 | 119.3 Ų | 119.3 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | | | cis | -169.6 | 166.1 | -24.1 | -106.2 | -179.5 | 179.5 | -178.7 | 0 | 109.2 | | |
| 514 | S | 30.1 | Very low | 35 | Very low | 120 Ų | 120 | 120.8 Ų | 120.8 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | | | trans | 71 | 153.8 | 167.7 | -136.6 | 0 | 0 | 0 | 0 | 114.7 | | |
| 515 | G | 29.8 | Very low | 35.2 | Very low | 69 Ų | 69 | 122.5 Ų | 122.5 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | | | cis | 149 | 165.4 | 8.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 516 | T | 34.2 | Very low | 35.5 | Very low | 104 Ų | 104 | 122.4 Ų | 122.4 | 64% | 0.638 | 75% | 0.751 | S | S | * | * | | | cis | -170.9 | 125.2 | 5.9 | -68.2 | 0 | 0 | 0 | 0 | 110 | | |
| 517 | N | 37 | Very low | 35.6 | Very low | 150 Ų | 150 | 124.4 Ų | 124.4 | 80% | 0.802 | 75% | 0.749 | S | S | * | * | | | trans | 59.6 | 171.7 | 154.3 | -54.3 | 0.9 | 0 | 0 | 0 | 118.8 | | |
| 518 | S | 37.1 | Very low | 35.7 | Very low | 102 Ų | 102 | 124 Ų | 124 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | | | cis | -163.4 | 157.7 | -14.2 | -121.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 519 | A | 38.1 | Very low | 36.2 | Very low | 80 Ų | 80 | 125.8 Ų | 125.8 | 66% | 0.661 | 74% | 0.738 | S | S | * | * | | | trans | 60.6 | 162.5 | 147.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 520 | E | 34.8 | Very low | 36.6 | Very low | 163 Ų | 163 | 127.6 Ų | 127.6 | 76% | 0.762 | 74% | 0.741 | S | S | * | * | | | cis | -169.2 | 179.7 | -19.2 | -104.8 | 171.7 | 67.7 | 0 | 0 | 106.6 | | |
| 521 | Q | 37.9 | Very low | 37.2 | Very low | 165 Ų | 165 | 132.2 Ų | 132.2 | 77% | 0.771 | 75% | 0.745 | S | S | * | * | | | cis | -156.5 | 175.6 | 4.1 | -142.4 | -180 | 76.3 | 0 | 0 | 109.7 | | |
| 522 | G | 28.7 | Very low | 37.5 | Very low | 69 Ų | 69 | 135.9 Ų | 135.9 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | | | trans | 160 | 143.8 | 166 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 523 | I | 39.7 | Very low | 37.8 | Very low | 162 Ų | 162 | 137.7 Ų | 137.7 | 83% | 0.831 | 76% | 0.755 | S | S | * | * | | | trans | -127.7 | 150.8 | -166.6 | -66.7 | 179.7 | 0 | 0 | 0 | 114.5 | | |
| 524 | K | 35.6 | Very low | 37.7 | Very low | 151 Ų | 151 | 137.9 Ų | 137.9 | 66% | 0.657 | 76% | 0.759 | S | S | * | * | | | trans | -43.8 | 165.3 | 172.5 | -126 | -165.7 | -177.6 | -173.2 | 0 | 115.8 | E526 | K524-E526 WeakPolarHBondContact CE-OE2 3.47Å; K524-E526 IonicContact NZ-OE2 2.65Å; K524-E526 PolarHBondContact NZ-OE2 3.26Å |
| 525 | P | 43.3 | Very low | 38.6 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 81% | 0.805 | 76% | 0.755 | S | S | * | * | | | | -139.6 | -178.7 | 65.6 | 37 | -17.7 | 0 | 0 | 0 | 116.9 | | |
| 526 | E | 35.9 | Very low | 39.2 | Very low | 126 Ų | 126 | 137.1 Ų | 137.1 | 59% | 0.589 | 75% | 0.753 | S | S | * | * | | | trans | -74.8 | 159.6 | -176.1 | -76 | 138.9 | 86.9 | 0 | 0 | 116.3 | K524 | K524-E526 WeakPolarHBondContact CE-OE2 3.47Å; K524-E526 IonicContact NZ-OE2 2.65Å; K524-E526 PolarHBondContact NZ-OE2 3.26Å |
| 527 | K | 35.2 | Very low | 39.8 | Very low | 167 Ų | 167 | 141.1 Ų | 141.1 | 73% | 0.726 | 77% | 0.767 | S | S | * | * | | | | -140.7 | 139.5 | 128.5 | -171 | 172.6 | 177.6 | -77.5 | 0 | 109.2 | D529 | K527-D529 IonicContact NZ-OD1 3.21Å; K527-D529 PolarHBondContact NZ-OD1 3.25Å; K527-D529 IonicContact NZ-OD2 2.69Å; K527-D529 PolarHBondContact NZ-OD2 2.62Å |
| 528 | N | 35.3 | Very low | 40.2 | Very low | 118 Ų | 118 | 142.7 Ų | 142.7 | 63% | 0.631 | 77% | 0.769 | S | S | * | * | | | trans | -94.9 | 140.9 | 173.7 | -55.8 | -31.7 | 0 | 0 | 0 | 109.5 | | |
| 529 | D | 41.2 | Very low | 40.8 | Very low | 135 Ų | 135 | 146.9 Ų | 146.9 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | | | trans | -146.5 | 126.8 | 154 | -68.5 | -66.9 | 0 | 0 | 0 | 105.2 | K527 | K527-D529 IonicContact NZ-OD1 3.21Å; K527-D529 PolarHBondContact NZ-OD1 3.25Å; K527-D529 IonicContact NZ-OD2 2.69Å; K527-D529 PolarHBondContact NZ-OD2 2.62Å |
| 530 | E | 47.5 | Very low | 41.3 | Very low | 195 Ų | 195 | 150.7 Ų | 150.7 | 91% | 0.911 | 78% | 0.784 | S | S | * | * | | | trans | -106 | 120.3 | -177.3 | -65.7 | 175.5 | 137.1 | 0 | 0 | 108.9 | | |
| 531 | E | 46.7 | Very low | 42.2 | Very low | 197 Ų | 197 | 152.1 Ų | 152.1 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | | | trans | -128.6 | 142.6 | 171.1 | -72.6 | -166 | 133.8 | 0 | 0 | 111.1 | | |
| 532 | D | 42.5 | Very low | 42.6 | Very low | 161 Ų | 161 | 148.4 Ų | 148.4 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | | | trans | -70.5 | 129.4 | -177.5 | -92.4 | -58.5 | 0 | 0 | 0 | 112.7 | | |
| 533 | D | 40.7 | Very low | 43.8 | Very low | 143 Ų | 143 | 151.6 Ų | 151.6 | 77% | 0.765 | 79% | 0.785 | S | S | * | * | | | trans | -147.8 | 51 | 160.7 | -142.2 | -13.5 | 0 | 0 | 0 | 113.4 | | |
| 534 | Q | 41.3 | Very low | 44.7 | Very low | 194 Ų | 194 | 151.1 Ų | 151.1 | 91% | 0.907 | 78% | 0.779 | S | S | * | * | | | trans | -101.1 | 62.8 | 172.9 | -69.7 | -169.7 | 2.5 | 0 | 0 | 112.2 | | |
| 535 | S | 48.4 | Very low | 45.9 | Very low | 110 Ų | 110 | 151.1 Ų | 151.1 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | | | trans | -116.9 | 34.5 | 174.9 | 68.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 536 | G | 41.8 | Very low | 46.7 | Very low | 64 Ų | 64 | 148.9 Ų | 148.9 | 66% | 0.66 | 77% | 0.77 | S | S | * | * | | | trans | -113.8 | 151.7 | -179 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 537 | M | 47.4 | Very low | 47.6 | Very low | 188 Ų | 188 | 148.2 Ų | 148.2 | 93% | 0.926 | 77% | 0.774 | S | S | * | * | | | trans | 67.9 | 57.6 | 162.8 | -49.9 | -167.4 | 77.3 | 0 | 0 | 118.9 | | |
| 538 | Q | 45.1 | Very low | 49 | Very low | 182 Ų | 182 | 148.9 Ų | 148.9 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | | | trans | -130.2 | 65.3 | 145.6 | -75.3 | -153.1 | 18.8 | 0 | 0 | 112.7 | | |
| 539 | K | 49.5 | Very low | 50.9 | Low | 191 Ų | 191 | 147 Ų | 147 | 83% | 0.83 | 76% | 0.762 | S | S | * | * | | | trans | -124.2 | 167.7 | 151.7 | -74.5 | -177.2 | 178.8 | 173.3 | 0 | 108.1 | | |
| 540 | D | 48.7 | Very low | 52.2 | Low | 159 Ų | 159 | 149.8 Ų | 149.8 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | | | trans | 63.4 | 57.1 | -179.4 | -50.4 | -18.5 | 0 | 0 | 0 | 114.4 | S542 | D540-S542 PolarHBondContact O-N 2.81Å; D540-S542 VanDerWaalsContact O-N 3.1Å |
| 541 | K | 53.5 | Low | 53 | Low | 194 Ų | 194 | 146.8 Ų | 146.8 | 84% | 0.843 | 76% | 0.757 | S | S | * | * | | | trans | -62.4 | 108.4 | 151.8 | -69.5 | -175.9 | -179.6 | -179.6 | 0 | 107 | | |
| 542 | S | 45.7 | Very low | 53.9 | Low | 86 Ų | 86 | 139.7 Ų | 139.7 | 60% | 0.601 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 135.8 | -168.8 | 45 | 0 | 0 | 0 | 0 | 112.8 | D540 H544 | D540-S542 PolarHBondContact O-N 2.81Å; D540-S542 VanDerWaalsContact O-N 3.1Å; S542-H544 PolarHBondContact O-N 3.48Å; S542-H544 VanDerWaalsContact O-N 3.15Å; S542-H544 PolarHBondContact O-ND1 3.18Å |
| 543 | V | 54.1 | Low | 54.5 | Low | 136 Ų | 136 | 138.4 Ų | 138.4 | 82% | 0.824 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 120.2 | 158 | 179 | 0 | 0 | 0 | 0 | 106.3 | D545 | V543-D545 PolarHBondContact O-N 2.9Š|
| 544 | H | 59.8 | Low | 55 | Low | 152 Ų | 152 | 136.4 Ų | 136.4 | 70% | 0.704 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 125.7 | 177.8 | -71.6 | 33.2 | 0 | 0 | 0 | 108.1 | S542 V546 | S542-H544 PolarHBondContact O-N 3.48Å; S542-H544 VanDerWaalsContact O-N 3.15Å; S542-H544 PolarHBondContact O-ND1 3.18Å; H544-V546 PolarHBondContact O-N 2.76Å; H544-V546 VanDerWaalsContact O-N 3.16Å |
| 545 | D | 59.5 | Low | 55.8 | Low | 152 Ų | 152 | 134.6 Ų | 134.6 | 81% | 0.813 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 119.6 | 178.1 | -88.7 | -41.5 | 0 | 0 | 0 | 109.9 | V543 V547 | V543-D545 PolarHBondContact O-N 2.9Å; D545-V547 PolarHBondContact O-N 3.19Å |
| 546 | V | 61.6 | Low | 56.1 | Low | 77 Ų | 77 | 135 Ų | 135 | 47% | 0.467 | 70% | 0.695 | S | S | . | * | | | trans | -76.7 | 88.6 | -174.6 | -176.5 | 0 | 0 | 0 | 0 | 108.7 | H544 W548 W555 | H544-V546 PolarHBondContact O-N 2.76Å; H544-V546 VanDerWaalsContact O-N 3.16Å; V546-W548 HydrophobicContact CG1-CZ2 4.09Å; V546-W548 PolarHBondContact O-N 3.34Å; V546-W548 PolarHBondContact O-NE1 3.49Å; V546-W555 HydrophobicContact CG1-CD2 4.38Å; V546-W555 HydrophobicContact CG1-CG 4.21Å |
| 547 | V | 55.2 | Low | 57 | Low | 112 Ų | 112 | 136.7 Ų | 136.7 | 68% | 0.679 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 128.6 | 169.7 | -178.3 | 0 | 0 | 0 | 0 | 108.6 | D545 W555 | D545-V547 PolarHBondContact O-N 3.19Å; V547-W555 PolarHBondContact O-NE1 2.83Å |
| 548 | W | 64.1 | Low | 57.2 | Low | 181 Ų | 181 | 137.4 Ų | 137.4 | 69% | 0.686 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 138.8 | 172.4 | -62.2 | 81.3 | 0 | 0 | 0 | 108.8 | V546 | V546-W548 HydrophobicContact CG1-CZ2 4.09Å; V546-W548 PolarHBondContact O-N 3.34Å; V546-W548 PolarHBondContact O-NE1 3.49Å |
| 549 | D | 74.9 | Confident | 57.6 | Low | 79 Ų | 79 | 132.2 Ų | 132.2 | 42% | 0.422 | 68% | 0.681 | S | S | . | * | P | Polyproline II helix | trans | -84.2 | 166.8 | 173.2 | 65.5 | -3 | 0 | 0 | 0 | 111.7 | Q551 G552 M553 | D549-Q551 PolarHBondContact O-N 3.39Å; D549-G552 PolarHBondContact O-N 3.06Å; D549-G552 PolarHBondContact OD1-N 2.71Å; D549-M553 PolarHBondContact OD1-N 3.42Å |
| 550 | E | 69 | Low | 57.7 | Low | 192 Ų | 192 | 126.2 Ų | 126.2 | 90% | 0.897 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | -11.7 | -179.7 | -61.5 | -170.7 | 147.8 | 0 | 0 | 112.5 | | |
| 551 | Q | 63.8 | Low | 58 | Low | 133 Ų | 133 | 123.7 Ų | 123.7 | 62% | 0.621 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -20.7 | 177.5 | -68.8 | 67.1 | 36.2 | 0 | 0 | 112.4 | D549 M553 | D549-Q551 PolarHBondContact O-N 3.39Å; Q551-M553 VanDerWaalsContact C-N 3.29Å; Q551-M553 PolarHBondContact O-N 3.42Å |
| 552 | G | 65.3 | Low | 58.9 | Low | 48 Ų | 48 | 119.6 Ų | 119.6 | 50% | 0.495 | 65% | 0.653 | S | S | . | * | | | trans | 70.5 | 22.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D549 | D549-G552 PolarHBondContact O-N 3.06Å; D549-G552 PolarHBondContact OD1-N 2.71Å |
| 553 | M | 54.7 | Low | 60.8 | Low | 133 Ų | 133 | 118.6 Ų | 118.6 | 66% | 0.655 | 64% | 0.641 | S | S | * | * | | | trans | -150.7 | 121.7 | -174.4 | -69.4 | -173.3 | -63.5 | 0 | 0 | 110.2 | D549 Q551 | D549-M553 PolarHBondContact OD1-N 3.42Å; Q551-M553 VanDerWaalsContact C-N 3.29Å; Q551-M553 PolarHBondContact O-N 3.42Å |
| 554 | T | 51.8 | Low | 62.3 | Low | 101 Ų | 101 | 117 Ų | 117 | 62% | 0.62 | 63% | 0.633 | S | S | * | * | | | cis | -159.6 | 135.2 | -1.5 | 23.4 | 0 | 0 | 0 | 0 | 107.3 | E556 | T554-E556 PolarHBondContact O-N 3.48Š|
| 555 | W | 57.4 | Low | 63.7 | Low | 156 Ų | 156 | 116.3 Ų | 116.3 | 59% | 0.591 | 63% | 0.63 | S | S | * | * | | | trans | -75.3 | 74.9 | 161.1 | -75.4 | 92.3 | 0 | 0 | 0 | 109.4 | V546 V547 V557 | V546-W555 HydrophobicContact CG1-CD2 4.38Å; V546-W555 HydrophobicContact CG1-CG 4.21Å; V547-W555 PolarHBondContact O-NE1 2.83Å; W555-V557 PolarHBondContact O-N 3.06Å |
| 556 | E | 54.8 | Low | 65.1 | Low | 120 Ų | 120 | 112.4 Ų | 112.4 | 56% | 0.561 | 62% | 0.615 | S | S | * | * | | | trans | -62.5 | 103.1 | 158.2 | -67.7 | -168.9 | 133.5 | 0 | 0 | 107 | T554 Y558 | T554-E556 PolarHBondContact O-N 3.48Å; E556-Y558 HydrophobicContact CB-CD2 3.97Å; E556-Y558 HydrophobicContact CB-CE2 3.66Å; E556-Y558 VanDerWaalsContact O-CD2 3.26Å; E556-Y558 WeakPolarHBondContact O-CD2 3.33Å; E556-Y558 PolarHBondContact O-N 3.39Å; E556-Y558 WeakPolarHBondContact OE2-CE2 3.37Å; E556-Y558 PolarHBondContact OE2-OH 3.02Å; E556-Y558 VanDerWaalsContact OE2-OH 3.06Å |
| 557 | V | 60.4 | Low | 66.6 | Low | 99 Ų | 99 | 112.9 Ų | 112.9 | 60% | 0.6 | 61% | 0.614 | S | S | * | * | | | trans | -76.7 | 79.3 | -179.1 | -174.1 | 0 | 0 | 0 | 0 | 108.7 | W555 G559 A560 | W555-V557 PolarHBondContact O-N 3.06Å; V557-G559 VanDerWaalsContact C-N 3.28Å; V557-G559 PolarHBondContact O-N 2.81Å; V557-A560 HydrophobicContact CB-CB 3.96Å; V557-A560 HydrophobicContact CG1-CB 3.61Å; V557-A560 PolarHBondContact O-N 2.95Å |
| 558 | Y | 51.6 | Low | 68.5 | Low | 203 Ų | 203 | 109.3 Ų | 109.3 | 80% | 0.796 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | 88.1 | 170.1 | -74.8 | -82.9 | 0 | 0 | 0 | 109.9 | E556 | E556-Y558 HydrophobicContact CB-CD2 3.97Å; E556-Y558 HydrophobicContact CB-CE2 3.66Å; E556-Y558 VanDerWaalsContact O-CD2 3.26Å; E556-Y558 WeakPolarHBondContact O-CD2 3.33Å; E556-Y558 PolarHBondContact O-N 3.39Å; E556-Y558 WeakPolarHBondContact OE2-CE2 3.37Å; E556-Y558 PolarHBondContact OE2-OH 3.02Å; E556-Y558 VanDerWaalsContact OE2-OH 3.06Å |
| 559 | G | 54.4 | Low | 70 | Confident | 72 Ų | 72 | 106.8 Ų | 106.8 | 74% | 0.742 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 144.6 | -21.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | V557 S561 | V557-G559 VanDerWaalsContact C-N 3.28Å; V557-G559 PolarHBondContact O-N 2.81Å; G559-S561 VanDerWaalsContact C-N 3.34Å |
| 560 | A | 51.7 | Low | 71 | Confident | 65 Ų | 65 | 105.9 Ų | 105.9 | 54% | 0.537 | 60% | 0.598 | S | S | . | * | | | trans | -98.5 | 44.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V557 V562 | V557-A560 HydrophobicContact CB-CB 3.96Å; V557-A560 HydrophobicContact CG1-CB 3.61Å; V557-A560 PolarHBondContact O-N 2.95Å; A560-V562 VanDerWaalsContact C-N 3.28Å; A560-V562 PolarHBondContact O-N 3.22Å |
| 561 | S | 54.2 | Low | 72.3 | Confident | 107 Ų | 107 | 101.1 Ų | 101.1 | 75% | 0.748 | 58% | 0.577 | S | S | * | * | | | trans | -64.4 | 93.7 | 163.1 | 53.3 | 0 | 0 | 0 | 0 | 108.3 | G559 D563 | G559-S561 VanDerWaalsContact C-N 3.34Å; S561-D563 VanDerWaalsContact C-N 3.29Å; S561-D563 PolarHBondContact O-N 3.09Å |
| 562 | V | 72.4 | Confident | 73.9 | Confident | 108 Ų | 108 | 99.8 Ų | 99.8 | 66% | 0.655 | 57% | 0.571 | S | S | * | * | | | trans | -63.3 | 97.8 | 167 | 175.9 | 0 | 0 | 0 | 0 | 106.3 | A560 L567 | A560-V562 VanDerWaalsContact C-N 3.28Å; A560-V562 PolarHBondContact O-N 3.22Å; V562-L567 HydrophobicContact CG1-CB 4.11Å; V562-L567 HydrophobicContact CG1-CD2 4.27Å |
| 563 | D | 86.6 | Confident | 75.4 | Confident | 64 Ų | 64 | 100.6 Ų | 100.6 | 34% | 0.342 | 57% | 0.569 | S | S | . | * | | | trans | -52.7 | 121.6 | 178.9 | 159.7 | 36 | 0 | 0 | 0 | 109.4 | S561 E565 S566 L567 | S561-D563 VanDerWaalsContact C-N 3.29Å; S561-D563 PolarHBondContact O-N 3.09Å; D563-E565 PolarHBondContact O-N 3.2Å; D563-E565 WeakPolarHBondContact OD1-CB 3.41Å; D563-E565 PolarHBondContact OD1-N 3.4Å; D563-S566 PolarHBondContact O-N 3.32Å; D563-S566 WeakPolarHBondContact OD2-CB 3.44Å; D563-S566 PolarHBondContact OD2-N 2.88Å; D563-S566 PolarHBondContact OD2-OG 3.43Å; D563-L567 PolarHBondContact O-N 3.27Å |
| 564 | P | 85.5 | Confident | 77.4 | Confident | 103 Ų | 103 | 99.5 Ų | 99.5 | 67% | 0.669 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.8 | -26.5 | -178 | 26.2 | -35 | 0 | 0 | 0 | 112.4 | G568 | P564-G568 PolarHBondContact O-N 3.37Å |
| 565 | E | 89.1 | Confident | 79.6 | Confident | 137 Ų | 137 | 99.5 Ų | 99.5 | 64% | 0.64 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -71.5 | -51.9 | 175.6 | -58.3 | -168.7 | 179.2 | 0 | 0 | 110.6 | D563 L567 G568 F569 | D563-E565 PolarHBondContact O-N 3.2Å; D563-E565 WeakPolarHBondContact OD1-CB 3.41Å; D563-E565 PolarHBondContact OD1-N 3.4Å; E565-L567 VanDerWaalsContact C-N 3.28Å; E565-L567 PolarHBondContact O-N 3.48Å; E565-G568 CarbonylContact O-C 3.56Å; E565-G568 WeakPolarHBondContact O-CA 3.02Å; E565-G568 PolarHBondContact O-N 3.01Å; E565-F569 HydrophobicContact CB-CD2 4.47Å; E565-F569 HydrophobicContact CB-CE2 4.1Å; E565-F569 WeakPolarHBondContact O-CD2 3.4Å; E565-F569 PolarHBondContact O-N 2.83Å |
| 566 | S | 88.8 | Confident | 81.6 | Confident | 70 Ų | 70 | 96.5 Ų | 96.5 | 49% | 0.49 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -54.5 | -40.5 | 172.8 | -68.4 | 0 | 0 | 0 | 0 | 112.9 | D563 A570 | D563-S566 PolarHBondContact O-N 3.32Å; D563-S566 WeakPolarHBondContact OD2-CB 3.44Å; D563-S566 PolarHBondContact OD2-N 2.88Å; D563-S566 PolarHBondContact OD2-OG 3.43Å; S566-A570 WeakPolarHBondContact O-CB 3.27Å; S566-A570 PolarHBondContact O-N 3.3Å |
| 567 | L | 92 | Very high | 83.6 | Confident | 87 Ų | 87 | 93.6 Ų | 93.6 | 46% | 0.455 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 173.4 | 179.6 | 59.3 | 0 | 0 | 0 | 111.6 | V562 D563 E565 A570 I571 | V562-L567 HydrophobicContact CG1-CB 4.11Å; V562-L567 HydrophobicContact CG1-CD2 4.27Å; D563-L567 PolarHBondContact O-N 3.27Å; E565-L567 VanDerWaalsContact C-N 3.28Å; E565-L567 PolarHBondContact O-N 3.48Å; L567-A570 PolarHBondContact O-N 2.83Å; L567-I571 HydrophobicContact CD1-CD1 3.98Å; L567-I571 HydrophobicContact CD1-CG1 4.31Å; L567-I571 HydrophobicContact CG-CD1 3.95Å; L567-I571 VanDerWaalsContact O-CG1 3.29Å; L567-I571 WeakPolarHBondContact O-CG1 3.33Å; L567-I571 PolarHBondContact O-N 3.47Å |
| 568 | G | 95.1 | Very high | 85.3 | Confident | 37 Ų | 37 | 93.2 Ų | 93.2 | 38% | 0.381 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -57.8 | -48.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | P564 E565 A570 I571 Q572 | P564-G568 PolarHBondContact O-N 3.37Å; E565-G568 CarbonylContact O-C 3.56Å; E565-G568 WeakPolarHBondContact O-CA 3.02Å; E565-G568 PolarHBondContact O-N 3.01Å; G568-A570 PolarHBondContact O-N 2.94Å; G568-I571 PolarHBondContact O-N 3.19Å; G568-Q572 WeakPolarHBondContact O-CB 3.33Å; G568-Q572 PolarHBondContact O-N 3.16Å |
| 569 | F | 96.2 | Very high | 87.5 | Confident | 129 Ų | 129 | 87.8 Ų | 87.8 | 57% | 0.566 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.9 | -40.2 | 176.5 | -67.6 | -58 | 0 | 0 | 0 | 112.4 | E565 Q572 S573 | E565-F569 HydrophobicContact CB-CD2 4.47Å; E565-F569 HydrophobicContact CB-CE2 4.1Å; E565-F569 WeakPolarHBondContact O-CD2 3.4Å; E565-F569 PolarHBondContact O-N 2.83Å; F569-Q572 PolarHBondContact O-N 2.89Å; F569-S573 WeakPolarHBondContact O-CB 3.22Å; F569-S573 PolarHBondContact O-N 3.48Å |
| 570 | A | 95.8 | Very high | 89.5 | Confident | 60 Ų | 60 | 89.9 Ų | 89.9 | 50% | 0.496 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | S566 L567 G568 H574 | S566-A570 WeakPolarHBondContact O-CB 3.27Å; S566-A570 PolarHBondContact O-N 3.3Å; L567-A570 PolarHBondContact O-N 2.83Å; G568-A570 PolarHBondContact O-N 2.94Å; A570-H574 WeakPolarHBondContact O-CB 3.25Å; A570-H574 PolarHBondContact O-N 3.15Å |
| 571 | I | 95.9 | Very high | 91.6 | Very high | 91 Ų | 91 | 89.4 Ų | 89.4 | 47% | 0.467 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.4 | -48.3 | 175.9 | -68.5 | 165.9 | 0 | 0 | 0 | 110.6 | L567 G568 S573 H574 L575 | L567-I571 HydrophobicContact CD1-CD1 3.98Å; L567-I571 HydrophobicContact CD1-CG1 4.31Å; L567-I571 HydrophobicContact CG-CD1 3.95Å; L567-I571 VanDerWaalsContact O-CG1 3.29Å; L567-I571 WeakPolarHBondContact O-CG1 3.33Å; L567-I571 PolarHBondContact O-N 3.47Å; G568-I571 PolarHBondContact O-N 3.19Å; I571-S573 PolarHBondContact O-N 2.94Å; I571-H574 PolarHBondContact O-N 3.16Å; I571-L575 HydrophobicContact CG2-CD1 3.88Å; I571-L575 HydrophobicContact CG2-CG 4.43Å; I571-L575 WeakPolarHBondContact O-CG 3.25Å; I571-L575 PolarHBondContact O-N 2.93Å |
| 572 | Q | 97.3 | Very high | 93.6 | Very high | 106 Ų | 106 | 91 Ų | 91 | 50% | 0.495 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.7 | -45.2 | 179.8 | -169.7 | -175.2 | 23.8 | 0 | 0 | 111.7 | G568 F569 L575 Q576 | G568-Q572 WeakPolarHBondContact O-CB 3.33Å; G568-Q572 PolarHBondContact O-N 3.16Å; F569-Q572 PolarHBondContact O-N 2.89Å; Q572-L575 PolarHBondContact O-N 3.1Å; Q572-Q576 WeakPolarHBondContact O-CG 3.28Å; Q572-Q576 PolarHBondContact O-N 2.69Å |
| 573 | S | 97.2 | Very high | 94.7 | Very high | 64 Ų | 64 | 90.6 Ų | 90.6 | 45% | 0.448 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 176.6 | -176.3 | 0 | 0 | 0 | 0 | 111.7 | F569 I571 Q576 C577 | F569-S573 WeakPolarHBondContact O-CB 3.22Å; F569-S573 PolarHBondContact O-N 3.48Å; I571-S573 PolarHBondContact O-N 2.94Å; S573-Q576 PolarHBondContact O-N 2.9Å; S573-C577 WeakPolarHBondContact O-CB 3.46Å; S573-C577 PolarHBondContact O-N 3.15Å; S573-C577 PolarHBondContact O-SG 3.46Å |
| 574 | H | 97.8 | Very high | 95.1 | Very high | 111 Ų | 111 | 95.4 Ų | 95.4 | 51% | 0.514 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60 | -48.4 | 175.6 | -173.4 | 99.3 | 0 | 0 | 0 | 111.7 | A570 I571 C577 K578 | A570-H574 WeakPolarHBondContact O-CB 3.25Å; A570-H574 PolarHBondContact O-N 3.15Å; I571-H574 PolarHBondContact O-N 3.16Å; H574-C577 WeakPolarHBondContact O-CB 3.36Å; H574-C577 PolarHBondContact O-N 3.39Å; H574-K578 WeakPolarHBondContact NE2-CG 3.34Å; H574-K578 WeakPolarHBondContact O-CG 3.33Å; H574-K578 PolarHBondContact O-N 3.24Å |
| 575 | L | 98.4 | Very high | 95.5 | Very high | 100 Ų | 100 | 95.8 Ų | 95.8 | 52% | 0.524 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.6 | -45.9 | 179.8 | -70.1 | 172.1 | 0 | 0 | 0 | 111.7 | I571 Q572 C577 K578 I579 | I571-L575 HydrophobicContact CG2-CD1 3.88Å; I571-L575 HydrophobicContact CG2-CG 4.43Å; I571-L575 WeakPolarHBondContact O-CG 3.25Å; I571-L575 PolarHBondContact O-N 2.93Å; Q572-L575 PolarHBondContact O-N 3.1Å; L575-C577 VanDerWaalsContact C-N 3.27Å; L575-C577 PolarHBondContact O-N 3.41Å; L575-K578 PolarHBondContact O-N 2.65Å; L575-K578 VanDerWaalsContact O-N 3.14Å; L575-I579 WeakPolarHBondContact O-CG1 3.43Å; L575-I579 PolarHBondContact O-N 3.06Å |
| 576 | Q | 97.5 | Very high | 95.6 | Very high | 94 Ų | 94 | 94.4 Ų | 94.4 | 44% | 0.439 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61 | -35.5 | 173.9 | -72.1 | -175.7 | 8.5 | 0 | 0 | 112.7 | Q572 S573 R580 | Q572-Q576 WeakPolarHBondContact O-CG 3.28Å; Q572-Q576 PolarHBondContact O-N 2.69Å; S573-Q576 PolarHBondContact O-N 2.9Å; Q576-R580 WeakPolarHBondContact O-CB 3.5Å; Q576-R580 WeakPolarHBondContact O-CG 3.43Å; Q576-R580 PolarHBondContact O-N 3.21Å; Q576-R580 VanDerWaalsContact O-N 3.11Å; Q576-R580 PolarHBondContact O-NE 3.21Å |
| 577 | C | 97.1 | Very high | 95.7 | Very high | 58 Ų | 58 | 96.6 Ų | 96.6 | 39% | 0.392 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68.3 | -38.8 | 174.7 | -70.5 | 0 | 0 | 0 | 0 | 111.6 | S573 H574 L575 R580 E581 | S573-C577 WeakPolarHBondContact O-CB 3.46Å; S573-C577 PolarHBondContact O-N 3.15Å; S573-C577 PolarHBondContact O-SG 3.46Å; H574-C577 WeakPolarHBondContact O-CB 3.36Å; H574-C577 PolarHBondContact O-N 3.39Å; L575-C577 VanDerWaalsContact C-N 3.27Å; L575-C577 PolarHBondContact O-N 3.41Å; C577-R580 PolarHBondContact O-N 3.3Å; C577-E581 WeakPolarHBondContact O-CB 3.49Å; C577-E581 PolarHBondContact O-N 3.44Å |
| 578 | K | 97.4 | Very high | 95.6 | Very high | 91 Ų | 91 | 94.5 Ų | 94.5 | 40% | 0.396 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.3 | -39.9 | 176.3 | -72 | -71 | 150 | -162 | 0 | 112.9 | H574 L575 E581 Q582 | H574-K578 WeakPolarHBondContact NE2-CG 3.34Å; H574-K578 WeakPolarHBondContact O-CG 3.33Å; H574-K578 PolarHBondContact O-N 3.24Å; L575-K578 PolarHBondContact O-N 2.65Å; L575-K578 VanDerWaalsContact O-N 3.14Å; K578-E581 IonicContact NZ-OE2 3.2Å; K578-E581 PolarHBondContact NZ-OE2 3.35Å; K578-E581 WeakPolarHBondContact O-CB 3.34Å; K578-E581 PolarHBondContact O-N 2.88Å; K578-Q582 PolarHBondContact O-N 3.14Å |
| 579 | I | 96.3 | Very high | 95.1 | Very high | 90 Ų | 90 | 98.1 Ų | 98.1 | 46% | 0.462 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.6 | -54.9 | 172.5 | -67.8 | 163.7 | 0 | 0 | 0 | 109.5 | L575 E581 Q582 E583 | L575-I579 WeakPolarHBondContact O-CG1 3.43Å; L575-I579 PolarHBondContact O-N 3.06Å; I579-E581 PolarHBondContact O-N 2.94Å; I579-E581 VanDerWaalsContact O-N 3.16Å; I579-Q582 PolarHBondContact O-N 2.96Å; I579-E583 HydrophobicContact CG2-CG 4.25Å; I579-E583 WeakPolarHBondContact O-CG 3.44Å; I579-E583 PolarHBondContact O-N 3.39Å |
| 580 | R | 96.6 | Very high | 94.3 | Very high | 116 Ų | 116 | 94.5 Ų | 94.5 | 44% | 0.438 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -58.5 | -30 | 177.1 | -74.2 | 176.5 | -79.3 | 162.4 | -11.7 | 113.6 | Q576 C577 E583 R584 | Q576-R580 WeakPolarHBondContact O-CB 3.5Å; Q576-R580 WeakPolarHBondContact O-CG 3.43Å; Q576-R580 PolarHBondContact O-N 3.21Å; Q576-R580 VanDerWaalsContact O-N 3.11Å; Q576-R580 PolarHBondContact O-NE 3.21Å; C577-R580 PolarHBondContact O-N 3.3Å; R580-E583 WeakPolarHBondContact CA-OE2 3.26Å; R580-R584 WeakPolarHBondContact O-CB 3.43Å; R580-R584 PolarHBondContact O-N 3.45Å; R580-R584 VanDerWaalsContact O-N 3.15Å |
| 581 | E | 96.3 | Very high | 93 | Very high | 55 Ų | 55 | 95.1 Ų | 95.1 | 26% | 0.257 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -71.4 | -44 | 173.3 | -164.8 | -163.6 | 150.7 | 0 | 0 | 112.2 | C577 K578 I579 R584 K585 | C577-E581 WeakPolarHBondContact O-CB 3.49Å; C577-E581 PolarHBondContact O-N 3.44Å; K578-E581 IonicContact NZ-OE2 3.2Å; K578-E581 PolarHBondContact NZ-OE2 3.35Å; K578-E581 WeakPolarHBondContact O-CB 3.34Å; K578-E581 PolarHBondContact O-N 2.88Å; I579-E581 PolarHBondContact O-N 2.94Å; I579-E581 VanDerWaalsContact O-N 3.16Å; E581-R584 PolarHBondContact O-N 3.28Å; E581-K585 WeakPolarHBondContact O-CG 3.36Å; E581-K585 PolarHBondContact O-N 2.91Å; E581-K585 VanDerWaalsContact OE1-CE 3.25Å; E581-K585 WeakPolarHBondContact OE1-CE 3.43Å; E581-K585 IonicContact OE1-NZ 2.65Å; E581-K585 PolarHBondContact OE1-NZ 2.96Å |
| 582 | Q | 96.1 | Very high | 91.4 | Very high | 140 Ų | 140 | 98.2 Ų | 98.2 | 65% | 0.654 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -68.1 | -41.7 | 176.3 | -74 | -172.3 | -12 | 0 | 0 | 112.1 | K578 I579 R584 K585 L586 | K578-Q582 PolarHBondContact O-N 3.14Å; I579-Q582 PolarHBondContact O-N 2.96Å; Q582-R584 PolarHBondContact O-N 3.15Å; Q582-K585 PolarHBondContact O-N 2.94Å; Q582-L586 WeakPolarHBondContact O-CB 3.37Å; Q582-L586 PolarHBondContact O-N 2.77Å |
| 583 | E | 95.4 | Very high | 89.7 | Confident | 100 Ų | 100 | 101.2 Ų | 101.2 | 47% | 0.467 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -57 | -47.6 | 172.6 | -71.3 | 171.4 | 157.9 | 0 | 0 | 111.1 | I579 R580 K585 L586 I587 | I579-E583 HydrophobicContact CG2-CG 4.25Å; I579-E583 WeakPolarHBondContact O-CG 3.44Å; I579-E583 PolarHBondContact O-N 3.39Å; R580-E583 WeakPolarHBondContact CA-OE2 3.26Å; E583-K585 VanDerWaalsContact C-N 3.33Å; E583-K585 PolarHBondContact O-N 3.17Å; E583-L586 PolarHBondContact O-N 3.3Å; E583-I587 WeakPolarHBondContact O-CB 3.42Å; E583-I587 VanDerWaalsContact O-CG1 3.26Å; E583-I587 WeakPolarHBondContact O-CG1 3.33Å; E583-I587 PolarHBondContact O-N 3.13Å |
| 584 | R | 95.1 | Very high | 87.8 | Confident | 164 Ų | 164 | 105.9 Ų | 105.9 | 62% | 0.619 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.5 | -42.3 | 176 | -169.5 | -174 | -59.3 | 109.6 | 1.1 | 111.9 | R580 E581 Q582 A588 | R580-R584 WeakPolarHBondContact O-CB 3.43Å; R580-R584 PolarHBondContact O-N 3.45Å; R580-R584 VanDerWaalsContact O-N 3.15Å; E581-R584 PolarHBondContact O-N 3.28Å; Q582-R584 PolarHBondContact O-N 3.15Å; R584-A588 WeakPolarHBondContact O-CB 3.47Å; R584-A588 PolarHBondContact O-N 3.47Å |
| 585 | K | 94.2 | Very high | 85.7 | Confident | 112 Ų | 112 | 105.2 Ų | 105.2 | 49% | 0.487 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.5 | -40.1 | 175.7 | -72.4 | 173 | -174.2 | 176 | 0 | 111.9 | E581 Q582 E583 A588 Q589 | E581-K585 WeakPolarHBondContact O-CG 3.36Å; E581-K585 PolarHBondContact O-N 2.91Å; E581-K585 VanDerWaalsContact OE1-CE 3.25Å; E581-K585 WeakPolarHBondContact OE1-CE 3.43Å; E581-K585 IonicContact OE1-NZ 2.65Å; E581-K585 PolarHBondContact OE1-NZ 2.96Å; Q582-K585 PolarHBondContact O-N 2.94Å; E583-K585 VanDerWaalsContact C-N 3.33Å; E583-K585 PolarHBondContact O-N 3.17Å; K585-A588 PolarHBondContact O-N 2.95Å; K585-Q589 WeakPolarHBondContact O-CB 3.45Å; K585-Q589 WeakPolarHBondContact O-CG 3.47Å; K585-Q589 PolarHBondContact O-N 3.11Å |
| 586 | L | 91.8 | Very high | 83.6 | Confident | 108 Ų | 108 | 107.3 Ų | 107.3 | 57% | 0.565 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.2 | -42.7 | 177.3 | -176.7 | 64.5 | 0 | 0 | 0 | 111.8 | Q582 E583 A588 Q589 T590 | Q582-L586 WeakPolarHBondContact O-CB 3.37Å; Q582-L586 PolarHBondContact O-N 2.77Å; E583-L586 PolarHBondContact O-N 3.3Å; L586-A588 VanDerWaalsContact C-N 3.34Å; L586-A588 PolarHBondContact O-N 3.33Å; L586-Q589 PolarHBondContact O-N 3.34Å; L586-T590 HydrophobicContact CD1-CG2 3.98Å; L586-T590 HydrophobicContact CG-CG2 4.3Å; L586-T590 WeakPolarHBondContact O-CB 3.5Å; L586-T590 VanDerWaalsContact O-CG2 3.27Å; L586-T590 WeakPolarHBondContact O-CG2 3.29Å; L586-T590 PolarHBondContact O-N 3.36Å; L586-T590 PolarHBondContact O-OG1 3.34Å |
| 587 | I | 91.5 | Very high | 81.4 | Confident | 116 Ų | 116 | 107.4 Ų | 107.4 | 60% | 0.595 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.7 | -43.8 | 175.3 | -69.7 | 164.7 | 0 | 0 | 0 | 110.1 | E583 T590 S591 | E583-I587 WeakPolarHBondContact O-CB 3.42Å; E583-I587 VanDerWaalsContact O-CG1 3.26Å; E583-I587 WeakPolarHBondContact O-CG1 3.33Å; E583-I587 PolarHBondContact O-N 3.13Å; I587-T590 PolarHBondContact O-OG1 2.97Å; I587-S591 VanDerWaalsContact O-CB 3.25Å; I587-S591 WeakPolarHBondContact O-CB 3.41Å; I587-S591 PolarHBondContact O-N 3.48Å |
| 588 | A | 89.3 | Confident | 78.7 | Confident | 43 Ų | 43 | 108.2 Ų | 108.2 | 36% | 0.355 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -61.3 | -55 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | R584 K585 L586 T590 S591 F592 | R584-A588 WeakPolarHBondContact O-CB 3.47Å; R584-A588 PolarHBondContact O-N 3.47Å; K585-A588 PolarHBondContact O-N 2.95Å; L586-A588 VanDerWaalsContact C-N 3.34Å; L586-A588 PolarHBondContact O-N 3.33Å; A588-T590 VanDerWaalsContact C-N 3.33Å; A588-T590 PolarHBondContact O-N 3.06Å; A588-S591 WeakPolarHBondContact O-CB 3.37Å; A588-S591 PolarHBondContact O-N 3.29Å; A588-S591 VanDerWaalsContact O-N 3.16Å; A588-F592 HydrophobicContact CB-CE2 4.38Å; A588-F592 WeakPolarHBondContact O-CD2 3.36Å; A588-F592 PolarHBondContact O-N 3.16Å; A588-F592 VanDerWaalsContact O-N 3.13Å |
| 589 | Q | 84.7 | Confident | 76.6 | Confident | 113 Ų | 113 | 111 Ų | 111 | 53% | 0.528 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63 | -34.1 | -178.6 | -75 | -167.9 | 11.8 | 0 | 0 | 114 | K585 L586 | K585-Q589 WeakPolarHBondContact O-CB 3.45Å; K585-Q589 WeakPolarHBondContact O-CG 3.47Å; K585-Q589 PolarHBondContact O-N 3.11Å; L586-Q589 PolarHBondContact O-N 3.34Å |
| 590 | T | 78.5 | Confident | 74 | Confident | 53 Ų | 53 | 114.1 Ų | 114.1 | 33% | 0.325 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -74.2 | -37 | 174.9 | 55.3 | 0 | 0 | 0 | 0 | 111.2 | L586 I587 A588 F592 R593 K594 | L586-T590 HydrophobicContact CD1-CG2 3.98Å; L586-T590 HydrophobicContact CG-CG2 4.3Å; L586-T590 WeakPolarHBondContact O-CB 3.5Å; L586-T590 VanDerWaalsContact O-CG2 3.27Å; L586-T590 WeakPolarHBondContact O-CG2 3.29Å; L586-T590 PolarHBondContact O-N 3.36Å; L586-T590 PolarHBondContact O-OG1 3.34Å; I587-T590 PolarHBondContact O-OG1 2.97Å; A588-T590 VanDerWaalsContact C-N 3.33Å; A588-T590 PolarHBondContact O-N 3.06Å; T590-F592 VanDerWaalsContact C-N 3.31Å; T590-F592 PolarHBondContact O-N 2.83Å; T590-R593 PolarHBondContact O-N 3Å; T590-K594 WeakPolarHBondContact O-CB 3.26Å; T590-K594 VanDerWaalsContact O-CD 3.28Å; T590-K594 WeakPolarHBondContact O-CD 3.13Å; T590-K594 WeakPolarHBondContact O-CG 3.38Å; T590-K594 PolarHBondContact O-N 3.44Å |
| 591 | S | 69.9 | Low | 71.1 | Confident | 73 Ų | 73 | 112.8 Ų | 112.8 | 51% | 0.51 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -54.3 | -46.7 | 172.6 | -167.5 | 0 | 0 | 0 | 0 | 111.7 | I587 A588 R593 K594 | I587-S591 VanDerWaalsContact O-CB 3.25Å; I587-S591 WeakPolarHBondContact O-CB 3.41Å; I587-S591 PolarHBondContact O-N 3.48Å; A588-S591 WeakPolarHBondContact O-CB 3.37Å; A588-S591 PolarHBondContact O-N 3.29Å; A588-S591 VanDerWaalsContact O-N 3.16Å; S591-R593 PolarHBondContact O-N 2.96Å; S591-K594 PolarHBondContact O-N 2.81Å |
| 592 | F | 61.5 | Low | 68.8 | Low | 155 Ų | 155 | 116.4 Ų | 116.4 | 68% | 0.68 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | -15.3 | 177 | -64.6 | -59.5 | 0 | 0 | 0 | 115.1 | A588 T590 S595 | A588-F592 HydrophobicContact CB-CE2 4.38Å; A588-F592 WeakPolarHBondContact O-CD2 3.36Å; A588-F592 PolarHBondContact O-N 3.16Å; A588-F592 VanDerWaalsContact O-N 3.13Å; T590-F592 VanDerWaalsContact C-N 3.31Å; T590-F592 PolarHBondContact O-N 2.83Å; F592-S595 PolarHBondContact O-OG 2.88Å |
| 593 | R | 60.5 | Low | 66.5 | Low | 169 Ų | 169 | 117.6 Ų | 117.6 | 64% | 0.638 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | -26 | 175.4 | -69.1 | -166.4 | -110.9 | -146.7 | 0.7 | 114 | T590 S591 S595 I596 | T590-R593 PolarHBondContact O-N 3Å; S591-R593 PolarHBondContact O-N 2.96Å; R593-S595 PolarHBondContact O-N 3.34Å; R593-S595 VanDerWaalsContact O-N 3.09Å; R593-I596 PolarHBondContact O-N 2.88Å |
| 594 | K | 58.2 | Low | 63.9 | Low | 163 Ų | 163 | 124.3 Ų | 124.3 | 71% | 0.709 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -7.9 | 178 | -74.5 | 156.2 | 68.1 | 176.7 | 0 | 113.8 | T590 S591 | T590-K594 WeakPolarHBondContact O-CB 3.26Å; T590-K594 VanDerWaalsContact O-CD 3.28Å; T590-K594 WeakPolarHBondContact O-CD 3.13Å; T590-K594 WeakPolarHBondContact O-CG 3.38Å; T590-K594 PolarHBondContact O-N 3.44Å; S591-K594 PolarHBondContact O-N 2.81Å |
| 595 | S | 53.6 | Low | 61.1 | Low | 97 Ų | 97 | 120.2 Ų | 120.2 | 68% | 0.678 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -10.3 | 174.6 | 52.6 | 0 | 0 | 0 | 0 | 115.1 | F592 R593 | F592-S595 PolarHBondContact O-OG 2.88Å; R593-S595 PolarHBondContact O-N 3.34Å; R593-S595 VanDerWaalsContact O-N 3.09Å |
| 596 | I | 54.8 | Low | 59.2 | Low | 144 Ų | 144 | 124.8 Ų | 124.8 | 74% | 0.738 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.8 | -21.3 | -168.3 | -39.7 | -175.6 | 0 | 0 | 0 | 113.6 | R593 | R593-I596 PolarHBondContact O-N 2.88Š|
| 597 | S | 50.7 | Low | 57.4 | Low | 96 Ų | 96 | 128.6 Ų | 128.6 | 67% | 0.671 | 70% | 0.696 | S | S | * | * | | | trans | -127.2 | 49.4 | -174.9 | 68.3 | 0 | 0 | 0 | 0 | 114.5 | V599 | S597-V599 PolarHBondContact O-N 2.88Š|
| 598 | G | 41.4 | Very low | 55.4 | Low | 75 Ų | 75 | 130.6 Ų | 130.6 | 77% | 0.773 | 71% | 0.707 | S | S | * | * | | | trans | -88.9 | 84.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 599 | V | 51.9 | Low | 53.6 | Low | 148 Ų | 148 | 138.5 Ų | 138.5 | 90% | 0.897 | 73% | 0.734 | S | S | * | * | | | trans | -105 | 46.8 | 179.1 | 68 | 0 | 0 | 0 | 0 | 112.7 | S597 | S597-V599 PolarHBondContact O-N 2.88Š|
| 600 | D | 42.8 | Very low | 52.1 | Low | 156 Ų | 156 | 144.6 Ų | 144.6 | 83% | 0.834 | 75% | 0.752 | S | S | * | * | | | trans | -147 | 155.7 | 156.5 | -150.4 | -20.3 | 0 | 0 | 0 | 110.8 | | |
| 601 | S | 35.9 | Very low | 51 | Low | 89 Ų | 89 | 151.6 Ų | 151.6 | 62% | 0.622 | 77% | 0.773 | S | S | * | * | | | trans | -152.3 | 95.5 | -164.4 | 163.8 | 0 | 0 | 0 | 0 | 113.9 | Q603 | S601-Q603 PolarHBondContact O-N 2.92Š|
| 602 | P | 47.6 | Very low | 50.6 | Low | 130 Ų | 130 | 156.4 Ų | 156.4 | 84% | 0.844 | 79% | 0.787 | S | S | * | * | | | trans | -67.3 | 99.8 | 159.6 | -20.1 | 34.3 | 0 | 0 | 0 | 111.1 | R604 | P602-R604 PolarHBondContact O-N 3.3Š|
| 603 | Q | 47.8 | Very low | 50.6 | Low | 165 Ų | 165 | 153.2 Ų | 153.2 | 77% | 0.771 | 77% | 0.774 | S | S | * | * | | | trans | -74.1 | 104.6 | -174.5 | 177.6 | -167.1 | -115.1 | 0 | 0 | 113.3 | S601 | S601-Q603 PolarHBondContact O-N 2.92Š|
| 604 | R | 41.2 | Very low | 51 | Low | 241 Ų | 241 | 150.8 Ų | 150.8 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | | | trans | -173.3 | 123.9 | 138.4 | -105 | 159.1 | -160.4 | -97.2 | 3.6 | 113.6 | P602 | P602-R604 PolarHBondContact O-N 3.3Š|
| 605 | G | 36.3 | Very low | 51.5 | Low | 78 Ų | 78 | 148.9 Ų | 148.9 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | trans | -176.6 | 49 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | K607 | G605-K607 PolarHBondContact O-N 2.95Å; G605-K607 VanDerWaalsContact O-N 3.09Å |
| 606 | K | 54.1 | Low | 52.3 | Low | 209 Ų | 209 | 151.7 Ų | 151.7 | 91% | 0.909 | 77% | 0.77 | S | S | * | * | | | trans | -67 | 106.7 | -176.9 | -76.3 | -174.6 | 176.9 | -178.5 | 0 | 111.8 | | |
| 607 | K | 52.5 | Low | 53.1 | Low | 188 Ų | 188 | 152.6 Ų | 152.6 | 82% | 0.817 | 76% | 0.764 | S | S | * | * | | | trans | -173.7 | 118.8 | 132.2 | -99.3 | 151 | -173.1 | 179.6 | 0 | 113.4 | G605 | G605-K607 PolarHBondContact O-N 2.95Å; G605-K607 VanDerWaalsContact O-N 3.09Å |
| 608 | N | 50.8 | Low | 53.9 | Low | 157 Ų | 157 | 150.1 Ų | 150.1 | 84% | 0.84 | 75% | 0.747 | S | S | * | * | | | trans | 50.9 | 85.2 | 138.2 | -53.2 | 2.8 | 0 | 0 | 0 | 119.5 | | |
| 609 | K | 50.1 | Low | 55.3 | Low | 210 Ų | 210 | 151.6 Ų | 151.6 | 91% | 0.913 | 74% | 0.735 | S | S | * | * | | | trans | -137.7 | 124.4 | 134.4 | -148.5 | 164.1 | -172.5 | 174.4 | 0 | 112.2 | R611 | K609-R611 PolarHBondContact O-N 2.84Š|
| 610 | R | 53.7 | Low | 56.2 | Low | 241 Ų | 241 | 148.9 Ų | 148.9 | 91% | 0.909 | 72% | 0.715 | S | S | * | * | | | trans | -39.1 | 114.7 | -176.9 | -174.1 | 174.2 | -178.3 | 162.4 | -2.3 | 112.5 | Q612 | R610-Q612 PolarHBondContact O-N 2.87Š|
| 611 | R | 56.7 | Low | 57.4 | Low | 200 Ų | 200 | 145.6 Ų | 145.6 | 76% | 0.755 | 70% | 0.695 | S | S | * | * | | | trans | -47.8 | 101.6 | -178.6 | -167.8 | -168.4 | -157.2 | -173.3 | 17.8 | 111.6 | K609 Q613 | K609-R611 PolarHBondContact O-N 2.84Å; R611-Q613 HydrophobicContact CG-CB 4.11Å; R611-Q613 PolarHBondContact O-N 3.08Å |
| 612 | Q | 59.9 | Low | 58.6 | Low | 174 Ų | 174 | 147 Ų | 147 | 81% | 0.813 | 70% | 0.695 | S | S | * | * | | | trans | -67.1 | 83.1 | 161.1 | -81.5 | -75.9 | 20.9 | 0 | 0 | 107.6 | R610 N614 | R610-Q612 PolarHBondContact O-N 2.87Å; Q612-N614 PolarHBondContact O-N 3.3Å |
| 613 | Q | 62.8 | Low | 59.5 | Low | 88 Ų | 88 | 146.3 Ų | 146.3 | 41% | 0.411 | 69% | 0.688 | S | S | . | * | | | trans | -79.3 | 88.3 | -175.3 | -176.5 | 170.8 | -39 | 0 | 0 | 109.1 | R611 I615 | R611-Q613 HydrophobicContact CG-CB 4.11Å; R611-Q613 PolarHBondContact O-N 3.08Å; Q613-I615 PolarHBondContact O-N 3.03Å; Q613-I615 VanDerWaalsContact O-N 3.07Å |
| 614 | N | 68.1 | Low | 60.3 | Low | 118 Ų | 118 | 147.3 Ų | 147.3 | 63% | 0.631 | 69% | 0.685 | S | S | * | * | | | trans | -26.4 | 109 | -178 | -71.6 | -10.8 | 0 | 0 | 0 | 112.9 | Q612 F616 R617 S618 | Q612-N614 PolarHBondContact O-N 3.3Å; N614-F616 VanDerWaalsContact C-N 3.25Å; N614-F616 PolarHBondContact O-N 3.4Å; N614-R617 HydrophobicContact CB-CB 4.11Å; N614-R617 WeakPolarHBondContact O-CA 3.39Å; N614-R617 WeakPolarHBondContact O-CB 3.48Å; N614-R617 PolarHBondContact O-N 2.89Å; N614-S618 PolarHBondContact O-N 2.82Å; N614-S618 VanDerWaalsContact O-N 3.13Å |
| 615 | I | 69.2 | Low | 61.3 | Low | 122 Ų | 122 | 145.3 Ų | 145.3 | 63% | 0.626 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -58.6 | -40 | -168.1 | -59.8 | 172.8 | 0 | 0 | 0 | 110.8 | Q613 R617 S618 M619 | Q613-I615 PolarHBondContact O-N 3.03Å; Q613-I615 VanDerWaalsContact O-N 3.07Å; I615-R617 VanDerWaalsContact C-N 3.34Å; I615-R617 PolarHBondContact O-N 3.23Å; I615-S618 WeakPolarHBondContact O-CA 3.35Å; I615-S618 WeakPolarHBondContact O-CB 3.2Å; I615-S618 PolarHBondContact O-N 3.45Å; I615-M619 HydrophobicContact CG2-CE 4.44Å; I615-M619 PolarHBondContact O-N 3.17Å |
| 616 | F | 70.9 | Confident | 62.5 | Low | 157 Ų | 157 | 145.6 Ų | 145.6 | 69% | 0.689 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -55.6 | -42.1 | 171.2 | -64.1 | -79.5 | 0 | 0 | 0 | 113.4 | N614 S618 M619 L620 | N614-F616 VanDerWaalsContact C-N 3.25Å; N614-F616 PolarHBondContact O-N 3.4Å; F616-S618 VanDerWaalsContact C-N 3.26Å; F616-S618 PolarHBondContact O-N 3.33Å; F616-M619 HydrophobicContact CD1-CE 4.33Å; F616-M619 PolarHBondContact O-N 3.08Å; F616-L620 VanDerWaalsContact O-CB 3.28Å; F616-L620 WeakPolarHBondContact O-CB 3.07Å; F616-L620 VanDerWaalsContact O-CG 3.26Å; F616-L620 WeakPolarHBondContact O-CG 3.44Å; F616-L620 PolarHBondContact O-N 3.3Å |
| 617 | R | 71.1 | Confident | 62.8 | Low | 163 Ų | 163 | 142.5 Ų | 142.5 | 62% | 0.615 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -68.4 | -27 | 175.1 | -157.8 | -172.6 | -169.8 | -81.3 | 7.3 | 111.5 | N614 I615 Q621 | N614-R617 HydrophobicContact CB-CB 4.11Å; N614-R617 WeakPolarHBondContact O-CA 3.39Å; N614-R617 WeakPolarHBondContact O-CB 3.48Å; N614-R617 PolarHBondContact O-N 2.89Å; I615-R617 VanDerWaalsContact C-N 3.34Å; I615-R617 PolarHBondContact O-N 3.23Å; R617-Q621 VanDerWaalsContact O-CG 3.3Å; R617-Q621 WeakPolarHBondContact O-CG 3.46Å; R617-Q621 PolarHBondContact O-N 3.25Å; R617-Q621 PolarHBondContact O-NE2 3.46Å |
| 618 | S | 66.2 | Low | 63.4 | Low | 43 Ų | 43 | 138.8 Ų | 138.8 | 30% | 0.301 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -69.3 | -52.6 | 172.7 | -150.6 | 0 | 0 | 0 | 0 | 111 | N614 I615 F616 L620 Q621 N622 | N614-S618 PolarHBondContact O-N 2.82Å; N614-S618 VanDerWaalsContact O-N 3.13Å; I615-S618 WeakPolarHBondContact O-CA 3.35Å; I615-S618 WeakPolarHBondContact O-CB 3.2Å; I615-S618 PolarHBondContact O-N 3.45Å; F616-S618 VanDerWaalsContact C-N 3.26Å; F616-S618 PolarHBondContact O-N 3.33Å; S618-L620 VanDerWaalsContact C-N 3.33Å; S618-L620 PolarHBondContact O-N 2.95Å; S618-Q621 WeakPolarHBondContact O-CB 3.38Å; S618-Q621 PolarHBondContact O-N 2.58Å; S618-N622 PolarHBondContact O-N 3.05Å |
| 619 | M | 71.8 | Confident | 64 | Low | 106 Ų | 106 | 136.4 Ų | 136.4 | 52% | 0.522 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -60.1 | -41.8 | 178.5 | -62.6 | -163.3 | -72.3 | 0 | 0 | 112 | I615 F616 Q621 N622 V623 | I615-M619 HydrophobicContact CG2-CE 4.44Å; I615-M619 PolarHBondContact O-N 3.17Å; F616-M619 HydrophobicContact CD1-CE 4.33Å; F616-M619 PolarHBondContact O-N 3.08Å; M619-Q621 PolarHBondContact O-N 3.06Å; M619-N622 PolarHBondContact O-N 3.3Å; M619-V623 PolarHBondContact O-N 3.22Å |
| 620 | L | 71.8 | Confident | 64.8 | Low | 91 Ų | 91 | 131.6 Ų | 131.6 | 48% | 0.476 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -72 | -8.2 | 176.4 | -70.2 | 172.1 | 0 | 0 | 0 | 115.1 | F616 S618 R624 | F616-L620 VanDerWaalsContact O-CB 3.28Å; F616-L620 WeakPolarHBondContact O-CB 3.07Å; F616-L620 VanDerWaalsContact O-CG 3.26Å; F616-L620 WeakPolarHBondContact O-CG 3.44Å; F616-L620 PolarHBondContact O-N 3.3Å; S618-L620 VanDerWaalsContact C-N 3.33Å; S618-L620 PolarHBondContact O-N 2.95Å; L620-R624 PolarHBondContact O-NH1 3.32Å |
| 621 | Q | 67.1 | Low | 65.1 | Low | 88 Ų | 88 | 130.9 Ų | 130.9 | 41% | 0.411 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -85.1 | -42.5 | 168.2 | -82.7 | 168.3 | 101.6 | 0 | 0 | 110.7 | R617 S618 M619 V623 R624 R625 | R617-Q621 VanDerWaalsContact O-CG 3.3Å; R617-Q621 WeakPolarHBondContact O-CG 3.46Å; R617-Q621 PolarHBondContact O-N 3.25Å; R617-Q621 PolarHBondContact O-NE2 3.46Å; S618-Q621 WeakPolarHBondContact O-CB 3.38Å; S618-Q621 PolarHBondContact O-N 2.58Å; M619-Q621 PolarHBondContact O-N 3.06Å; Q621-V623 VanDerWaalsContact C-N 3.31Å; Q621-V623 PolarHBondContact O-N 3.29Å; Q621-R624 PolarHBondContact O-N 3.46Å; Q621-R624 VanDerWaalsContact O-N 3.13Å; Q621-R625 PolarHBondContact O-N 3.12Å |
| 622 | N | 61.7 | Low | 65.6 | Low | 117 Ų | 117 | 126.1 Ų | 126.1 | 63% | 0.626 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -61.7 | -37.7 | 176.5 | -63.8 | -19.4 | 0 | 0 | 0 | 112.3 | S618 M619 R625 | S618-N622 PolarHBondContact O-N 3.05Å; M619-N622 PolarHBondContact O-N 3.3Å; N622-R625 CarbonylContact O-C 3.47Å |
| 623 | V | 65.9 | Low | 65.8 | Low | 116 Ų | 116 | 123 Ų | 123 | 70% | 0.703 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -31.1 | 175.7 | 177.1 | 0 | 0 | 0 | 0 | 112.6 | M619 Q621 | M619-V623 PolarHBondContact O-N 3.22Å; Q621-V623 VanDerWaalsContact C-N 3.31Å; Q621-V623 PolarHBondContact O-N 3.29Å |
| 624 | R | 65 | Low | 65.6 | Low | 186 Ų | 186 | 125.1 Ų | 125.1 | 70% | 0.702 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -10.4 | 179.8 | -74.9 | -167.2 | -176.2 | 86.9 | -7.1 | 114.7 | L620 Q621 | L620-R624 PolarHBondContact O-NH1 3.32Å; Q621-R624 PolarHBondContact O-N 3.46Å; Q621-R624 VanDerWaalsContact O-N 3.13Å |
| 625 | R | 61 | Low | 65.2 | Low | 199 Ų | 199 | 124.5 Ų | 124.5 | 75% | 0.751 | 65% | 0.651 | S | S | * | * | | | trans | -139.7 | 85.4 | 174 | -72.5 | -166.1 | 176.6 | -165.3 | -1.1 | 110.2 | Q621 N622 | Q621-R625 PolarHBondContact O-N 3.12Å; N622-R625 CarbonylContact O-C 3.47Å |
| 626 | P | 62.8 | Low | 64.6 | Low | 84 Ų | 84 | 123.2 Ų | 123.2 | 55% | 0.545 | 66% | 0.658 | S | S | . | * | | | trans | -53 | 147.7 | 158.7 | 23.8 | -33.6 | 0 | 0 | 0 | 110.2 | C628 | P626-C628 PolarHBondContact O-N 3.4Š|
| 627 | N | 59.7 | Low | 64 | Low | 145 Ų | 145 | 122.4 Ų | 122.4 | 78% | 0.775 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -68.9 | 3.9 | -168.8 | -69.6 | -62 | 0 | 0 | 0 | 115.3 | C629 V630 | N627-C629 PolarHBondContact O-N 3.01Å; N627-C629 VanDerWaalsContact O-N 3.17Å; N627-V630 PolarHBondContact O-N 3.03Å |
| 628 | C | 64.7 | Low | 63.3 | Low | 109 Ų | 109 | 123.1 Ų | 123.1 | 74% | 0.736 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -68.3 | -6.1 | 178.3 | 57.4 | 0 | 0 | 0 | 0 | 115 | P626 | P626-C628 PolarHBondContact O-N 3.4Š|
| 629 | C | 64.4 | Low | 62.3 | Low | 107 Ų | 107 | 132.7 Ų | 132.7 | 72% | 0.723 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -106.6 | 12.5 | 179 | -59.9 | 0 | 0 | 0 | 0 | 114.1 | N627 R631 | N627-C629 PolarHBondContact O-N 3.01Å; N627-C629 VanDerWaalsContact O-N 3.17Å; C629-R631 PolarHBondContact O-N 2.75Å; C629-R631 VanDerWaalsContact O-N 3.15Å |
| 630 | V | 65.6 | Low | 61.8 | Low | 109 Ų | 109 | 134.1 Ų | 134.1 | 66% | 0.661 | 74% | 0.739 | S | S | * | * | | | trans | -77.8 | 95.4 | 169.6 | -177.8 | 0 | 0 | 0 | 0 | 108.6 | N627 P632 | N627-V630 PolarHBondContact O-N 3.03Å; V630-P632 WeakPolarHBondContact O-CD 3.42Å |
| 631 | R | 61.4 | Low | 61.3 | Low | 226 Ų | 226 | 136.3 Ų | 136.3 | 85% | 0.853 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 123 | 172.8 | -176.1 | 176.2 | -177.3 | 160.4 | 1.7 | 109.3 | C629 | C629-R631 PolarHBondContact O-N 2.75Å; C629-R631 VanDerWaalsContact O-N 3.15Å |
| 632 | P | 65.6 | Low | 61 | Low | 100 Ų | 100 | 139 Ų | 139 | 65% | 0.649 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -60 | 152.5 | 176.4 | -25.1 | 35.2 | 0 | 0 | 0 | 112.4 | V630 | V630-P632 WeakPolarHBondContact O-CD 3.42Š|
| 633 | P | 64.1 | Low | 60.9 | Low | 108 Ų | 108 | 140.3 Ų | 140.3 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 135.5 | 171.3 | -22.2 | 33.8 | 0 | 0 | 0 | 111.4 | S635 | P633-S635 VanDerWaalsContact C-N 3.3Å; P633-S635 PolarHBondContact O-N 2.99Å |
| 634 | P | 58.8 | Low | 60.6 | Low | 134 Ų | 134 | 141.8 Ų | 141.8 | 87% | 0.87 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -80.2 | 74.4 | 179.4 | 33.3 | -35.2 | 0 | 0 | 0 | 111.1 | | |
| 635 | S | 60.6 | Low | 60.3 | Low | 104 Ų | 104 | 138.9 Ų | 138.9 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | | | trans | -151.2 | 55.8 | 179.7 | 64.4 | 0 | 0 | 0 | 0 | 112.5 | P633 | P633-S635 VanDerWaalsContact C-N 3.3Å; P633-S635 PolarHBondContact O-N 2.99Å |
| 636 | A | 57.4 | Low | 60.3 | Low | 95 Ų | 95 | 134.6 Ų | 134.6 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | trans | -158.2 | 43.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 637 | V | 57.1 | Low | 60.1 | Low | 140 Ų | 140 | 138.5 Ų | 138.5 | 85% | 0.848 | 81% | 0.813 | S | S | * | * | | | trans | -144.2 | 70.2 | 169.4 | -170.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 638 | L | 56.7 | Low | 60.1 | Low | 178 Ų | 178 | 137.9 Ų | 137.9 | 93% | 0.932 | 82% | 0.816 | S | S | * | * | | | trans | -170.5 | 83.4 | 153.7 | -88.8 | -159.3 | 0 | 0 | 0 | 107.9 | | |
| 639 | D | 45.4 | Very low | 59.7 | Low | 245 Ų | 245 | 140.5 Ų | 140.5 | 100% | 1.31 | 82% | 0.824 | S | S | * | * | | | trans | -155.2 | 0 | 152.2 | -153.3 | 33.9 | 0 | 0 | 0 | 106.1 | | |