| 1 | M | 36.2 | Very low | 34.7 | Very low | 228 Ų | 228 | 142 Ų | 142 | 100% | 1.123 | 73% | 0.727 | S | S | * | * | | | | 0 | 86.5 | 0 | -178.5 | 174.5 | -176.3 | 0 | 0 | 106.1 | | |
| 2 | T | 33.7 | Very low | 34.4 | Very low | 80 Ų | 80 | 139.3 Ų | 139.3 | 49% | 0.491 | 73% | 0.73 | S | S | . | * | | | trans | -76.2 | 128.4 | -179.4 | 35.4 | 0 | 0 | 0 | 0 | 108.5 | A754 | T2-A754 HydrophobicContact CG2-CB 3.62Å; T2-A754 WeakPolarHBondContact CG2-O 3.31Å |
| 3 | I | 34.6 | Very low | 34 | Very low | 146 Ų | 146 | 140.4 Ų | 140.4 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | | | trans | -96.4 | 114.4 | 175.7 | -62.4 | 176.7 | 0 | 0 | 0 | 106.2 | | |
| 4 | D | 33.4 | Very low | 33.7 | Very low | 110 Ų | 110 | 137.5 Ų | 137.5 | 59% | 0.588 | 73% | 0.731 | S | S | * | * | | | trans | -63.9 | 136.8 | 174.5 | -172.3 | 0.9 | 0 | 0 | 0 | 109.9 | H6 T7 | D4-H6 PolarHBondContact O-N 2.93Å; D4-T7 PolarHBondContact O-N 3.17Å; D4-T7 PolarHBondContact O-OG1 3.1Å |
| 5 | K | 39.8 | Very low | 33.6 | Very low | 182 Ų | 182 | 139.3 Ų | 139.3 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -3.4 | -168.7 | -74.1 | -179.8 | 177.7 | 171.7 | 0 | 114 | | |
| 6 | H | 42.4 | Very low | 33.6 | Very low | 158 Ų | 158 | 139.2 Ų | 139.2 | 73% | 0.731 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113 | 1.2 | -175.5 | -65.2 | -77.7 | 0 | 0 | 0 | 115.2 | D4 V8 | D4-H6 PolarHBondContact O-N 2.93Å; H6-V8 VanDerWaalsContact C-N 3.31Å; H6-V8 PolarHBondContact O-N 3.03Å |
| 7 | T | 33.3 | Very low | 33.6 | Very low | 82 Ų | 82 | 141.8 Ų | 141.8 | 50% | 0.503 | 75% | 0.752 | S | S | . | * | | | trans | -81.3 | 73 | 179.4 | -19.8 | 0 | 0 | 0 | 0 | 112.8 | D4 F9 | D4-T7 PolarHBondContact O-N 3.17Å; D4-T7 PolarHBondContact O-OG1 3.1Å; T7-F9 HydrophobicContact CG2-CD2 3.9Å; T7-F9 HydrophobicContact CG2-CE2 3.51Å; T7-F9 HydrophobicContact CG2-CZ 4.25Å; T7-F9 PolarHBondContact O-N 2.92Å |
| 8 | V | 33.9 | Very low | 33.5 | Very low | 128 Ų | 128 | 139.4 Ų | 139.4 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | | | trans | -68.4 | 98.2 | 166.6 | -179.7 | 0 | 0 | 0 | 0 | 108.6 | H6 E10 | H6-V8 VanDerWaalsContact C-N 3.31Å; H6-V8 PolarHBondContact O-N 3.03Å; V8-E10 PolarHBondContact O-N 3.43Å; V8-E10 VanDerWaalsContact O-N 3.1Å |
| 9 | F | 31 | Very low | 33.5 | Very low | 148 Ų | 148 | 139.9 Ų | 139.9 | 65% | 0.649 | 76% | 0.757 | S | S | * | * | | | trans | -76.3 | 95.4 | 171.5 | -91.1 | -82.7 | 0 | 0 | 0 | 110.4 | T7 T11 | T7-F9 HydrophobicContact CG2-CD2 3.9Å; T7-F9 HydrophobicContact CG2-CE2 3.51Å; T7-F9 HydrophobicContact CG2-CZ 4.25Å; T7-F9 PolarHBondContact O-N 2.92Å; F9-T11 PolarHBondContact O-N 2.73Å |
| 10 | E | 31.2 | Very low | 33.6 | Very low | 169 Ų | 169 | 141.8 Ų | 141.8 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | | | trans | -63.4 | 94.1 | 162.5 | -68.2 | -164.8 | 122.6 | 0 | 0 | 110.2 | V8 S12 | V8-E10 PolarHBondContact O-N 3.43Å; V8-E10 VanDerWaalsContact O-N 3.1Å; E10-S12 PolarHBondContact O-N 3.13Å |
| 11 | T | 32.8 | Very low | 33.7 | Very low | 131 Ų | 131 | 143.5 Ų | 143.5 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | | | trans | -79 | 72.2 | 166.2 | 42.4 | 0 | 0 | 0 | 0 | 109.8 | F9 N13 | F9-T11 PolarHBondContact O-N 2.73Å; T11-N13 PolarHBondContact O-N 3.29Å |
| 12 | S | 30.6 | Very low | 33.4 | Very low | 109 Ų | 109 | 141.4 Ų | 141.4 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | | | trans | -56 | 109.8 | 173.8 | 46.9 | 0 | 0 | 0 | 0 | 110.4 | E10 P14 | E10-S12 PolarHBondContact O-N 3.13Å; S12-P14 WeakPolarHBondContact O-CD 3.45Å |
| 13 | N | 28.6 | Very low | 33.3 | Very low | 154 Ų | 154 | 143 Ų | 143 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | | | trans | -84.6 | 114.3 | -179.5 | -153.3 | 23.7 | 0 | 0 | 0 | 108 | T11 | T11-N13 PolarHBondContact O-N 3.29Š|
| 14 | P | 30.3 | Very low | 33 | Very low | 100 Ų | 100 | 139.8 Ų | 139.8 | 65% | 0.649 | 77% | 0.771 | S | S | * | * | | | trans | -73 | 169.2 | 178.6 | 32.1 | -35.7 | 0 | 0 | 0 | 111.3 | S12 | S12-P14 WeakPolarHBondContact O-CD 3.45Š|
| 15 | L | 31.6 | Very low | 32.9 | Very low | 165 Ų | 165 | 142 Ų | 142 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | | | trans | 73.9 | 113.6 | -172.5 | -42.9 | 167.2 | 0 | 0 | 0 | 111.3 | | |
| 16 | T | 34 | Very low | 32.3 | Very low | 137 Ų | 137 | 137.9 Ų | 137.9 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | | | cis | -145.2 | 154.7 | 35.6 | 46.2 | 0 | 0 | 0 | 0 | 114.2 | | |
| 17 | E | 34.3 | Very low | 31.8 | Very low | 183 Ų | 183 | 139.6 Ų | 139.6 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | | | trans | -76.9 | 151 | 179.4 | -65.2 | 177.1 | 94 | 0 | 0 | 115.2 | | |
| 18 | S | 32 | Very low | 31.7 | Very low | 99 Ų | 99 | 143.5 Ų | 143.5 | 69% | 0.692 | 80% | 0.799 | S | S | * | * | | | trans | 56.3 | 103.3 | 145 | 66.3 | 0 | 0 | 0 | 0 | 120.1 | | |
| 19 | V | 33 | Very low | 31.3 | Very low | 149 Ų | 149 | 141.5 Ų | 141.5 | 90% | 0.903 | 79% | 0.791 | S | S | * | * | | | | -126.2 | 99 | 129.8 | -178.2 | 0 | 0 | 0 | 0 | 107.9 | | |
| 20 | K | 36.1 | Very low | 31.3 | Very low | 177 Ų | 177 | 145.3 Ų | 145.3 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | | | trans | -93 | 161.3 | 164.8 | -77 | -171.9 | 174.2 | -176.2 | 0 | 109.4 | | |
| 21 | H | 35.2 | Very low | 31.3 | Very low | 178 Ų | 178 | 142.7 Ų | 142.7 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | | | trans | 73.5 | 85.4 | 175 | -50.4 | -82.5 | 0 | 0 | 0 | 116.5 | | |
| 22 | L | 29.9 | Very low | 31.2 | Very low | 184 Ų | 184 | 144.2 Ų | 144.2 | 96% | 0.963 | 80% | 0.799 | S | S | * | * | | | | -139.7 | 134.3 | 126.8 | -108.3 | 169.6 | 0 | 0 | 0 | 107.9 | | |
| 23 | S | 30.9 | Very low | 31.2 | Very low | 113 Ų | 113 | 141.8 Ų | 141.8 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | | | trans | -130.9 | 131.1 | -169.8 | 53.6 | 0 | 0 | 0 | 0 | 111 | | |
| 24 | G | 29.3 | Very low | 31.4 | Very low | 79 Ų | 79 | 142.1 Ų | 142.1 | 81% | 0.814 | 79% | 0.787 | S | S | * | * | | | trans | 84.7 | 81.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 25 | I | 30.7 | Very low | 31.4 | Very low | 157 Ų | 157 | 144.8 Ų | 144.8 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | | | trans | -134.1 | 120 | 140.4 | -52.3 | 178.8 | 0 | 0 | 0 | 106.6 | F27 | I25-F27 HydrophobicContact CG2-CD2 3.79Å; I25-F27 HydrophobicContact CG2-CE2 4.31Å |
| 26 | A | 26.6 | Very low | 31.4 | Very low | 96 Ų | 96 | 143.7 Ų | 143.7 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | | | trans | -102.6 | 138.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 27 | F | 31.9 | Very low | 31.3 | Very low | 194 Ų | 194 | 143.2 Ų | 143.2 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | | | trans | -135.5 | 127.6 | 168.2 | -109.4 | -74.1 | 0 | 0 | 0 | 111.6 | I25 | I25-F27 HydrophobicContact CG2-CD2 3.79Å; I25-F27 HydrophobicContact CG2-CE2 4.31Å |
| 28 | E | 31.5 | Very low | 31.1 | Very low | 164 Ų | 164 | 140.2 Ų | 140.2 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | | | trans | -64.6 | 146.8 | -167.6 | -53.8 | 174 | 117.6 | 0 | 0 | 115.2 | | |
| 29 | S | 27.1 | Very low | 31.1 | Very low | 86 Ų | 86 | 142.8 Ų | 142.8 | 60% | 0.601 | 76% | 0.763 | S | S | * | * | | | trans | 30.7 | 129.8 | 134.5 | 74.4 | 0 | 0 | 0 | 0 | 121.1 | | |
| 30 | R | 30.6 | Very low | 31 | Very low | 228 Ų | 228 | 141.4 Ų | 141.4 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | | | | 163.6 | 153.1 | 116.9 | -88 | 165.4 | -149.5 | -147.8 | 7.4 | 109.9 | | |
| 31 | V | 30.6 | Very low | 30.7 | Very low | 113 Ų | 113 | 140.3 Ų | 140.3 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | | | cis | -174.2 | 131.8 | -33.6 | 114.5 | 0 | 0 | 0 | 0 | 105.8 | | |
| 32 | L | 31 | Very low | 30.6 | Very low | 164 Ų | 164 | 139.5 Ų | 139.5 | 86% | 0.859 | 74% | 0.741 | S | S | * | * | | | trans | 53.2 | 150.2 | 168.5 | -82 | 54.8 | 0 | 0 | 0 | 119 | | |
| 33 | G | 30.7 | Very low | 30.5 | Very low | 58 Ų | 58 | 136.7 Ų | 136.7 | 60% | 0.598 | 74% | 0.737 | S | S | * | * | | | cis | 140 | 142.5 | -10 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 34 | H | 32.1 | Very low | 30.3 | Very low | 161 Ų | 161 | 137 Ų | 137 | 75% | 0.745 | 74% | 0.739 | S | S | * | * | | | trans | 64.5 | 155.8 | 156.8 | -66.4 | -68.6 | 0 | 0 | 0 | 119.4 | | |
| 35 | F | 29.8 | Very low | 30.5 | Very low | 155 Ų | 155 | 137.7 Ų | 137.7 | 68% | 0.68 | 74% | 0.737 | S | S | * | * | | | cis | -169.1 | 162.1 | -34.2 | -118 | -159.5 | 0 | 0 | 0 | 109.5 | | |
| 36 | Q | 33.4 | Very low | 30.6 | Very low | 142 Ų | 142 | 135.7 Ų | 135.7 | 66% | 0.664 | 74% | 0.737 | S | S | * | * | | | trans | 50.1 | 122.8 | 141.7 | -69.8 | 178 | -24.3 | 0 | 0 | 123.8 | | |
| 37 | N | 30.7 | Very low | 30.8 | Very low | 127 Ų | 127 | 138.5 Ų | 138.5 | 68% | 0.679 | 74% | 0.738 | S | S | * | * | | | | 86 | 121.7 | 121.2 | -62.2 | 8.1 | 0 | 0 | 0 | 123.7 | | |
| 38 | N | 31 | Very low | 30.6 | Very low | 121 Ų | 121 | 135.1 Ų | 135.1 | 65% | 0.647 | 74% | 0.736 | S | S | * | * | | | | 69.7 | 110.1 | 126.8 | -68.7 | 37.5 | 0 | 0 | 0 | 123.1 | | |
| 39 | E | 31.4 | Very low | 30.5 | Very low | 153 Ų | 153 | 133.9 Ų | 133.9 | 72% | 0.715 | 73% | 0.728 | S | S | * | * | | | | 100.3 | 127.2 | 113 | -84.3 | -175.1 | -166 | 0 | 0 | 123.9 | | |
| 40 | L | 31 | Very low | 30.6 | Very low | 120 Ų | 120 | 138.2 Ų | 138.2 | 63% | 0.628 | 74% | 0.743 | S | S | * | * | | | trans | 92 | 124.5 | 137.1 | -71.1 | 175.5 | 0 | 0 | 0 | 123.5 | | |
| 41 | F | 29.6 | Very low | 30.5 | Very low | 153 Ų | 153 | 133.1 Ų | 133.1 | 67% | 0.671 | 74% | 0.738 | S | S | * | * | | | trans | 75.9 | 119.1 | 147.2 | -65.1 | -48 | 0 | 0 | 0 | 124 | | |
| 42 | H | 32.4 | Very low | 30.4 | Very low | 161 Ų | 161 | 133.8 Ų | 133.8 | 75% | 0.745 | 74% | 0.744 | S | S | * | * | | | trans | 48.8 | 111.5 | 137.9 | -54.2 | -48.4 | 0 | 0 | 0 | 120.9 | | |
| 43 | S | 28.4 | Very low | 30.4 | Very low | 125 Ų | 125 | 131.1 Ų | 131.1 | 87% | 0.874 | 74% | 0.739 | S | S | * | * | | | | -177 | 157.9 | 97.3 | -80.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 44 | S | 27.7 | Very low | 30.6 | Very low | 121 Ų | 121 | 134 Ų | 134 | 85% | 0.846 | 75% | 0.748 | S | S | * | * | | | trans | -101.9 | 127.6 | -171.7 | 56.9 | 0 | 0 | 0 | 0 | 114.5 | | |
| 45 | A | 32 | Very low | 30.6 | Very low | 93 Ų | 93 | 132.6 Ų | 132.6 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | | | trans | -158.7 | 157.1 | 157.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 46 | S | 32.6 | Very low | 30.5 | Very low | 115 Ų | 115 | 132 Ų | 132 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | | | trans | 51 | 84.8 | 160.2 | 56.1 | 0 | 0 | 0 | 0 | 119.9 | | |
| 47 | L | 30.7 | Very low | 30.5 | Very low | 155 Ų | 155 | 132.6 Ų | 132.6 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | | | trans | -70.9 | 158.8 | 141.2 | -84.5 | 167.4 | 0 | 0 | 0 | 110.2 | | |
| 48 | P | 28.9 | Very low | 30.5 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 80% | 0.799 | 75% | 0.751 | S | S | * | * | | | | -129.3 | 141.5 | 112.2 | 35.9 | -30.7 | 0 | 0 | 0 | 114.2 | | |
| 49 | K | 28.9 | Very low | 30.4 | Very low | 138 Ų | 138 | 138.7 Ų | 138.7 | 60% | 0.6 | 76% | 0.763 | S | S | * | * | | | trans | -65.3 | 143.4 | 173.2 | -67.6 | 170.4 | 169.5 | 172.5 | 0 | 112 | Y584 | K49-Y584 PolarHBondContact NZ-OH 3.43Š|
| 50 | L | 29.2 | Very low | 30.5 | Very low | 177 Ų | 177 | 136.2 Ų | 136.2 | 93% | 0.927 | 76% | 0.763 | S | S | * | * | | | trans | -128.3 | 94.1 | 148.5 | -76.2 | 179.9 | 0 | 0 | 0 | 111.3 | | |
| 51 | T | 28.5 | Very low | 30.6 | Very low | 121 Ų | 121 | 141.5 Ų | 141.5 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | | | trans | -136.9 | 140.3 | 155.4 | 48 | 0 | 0 | 0 | 0 | 105.7 | | |
| 52 | P | 28.9 | Very low | 30.5 | Very low | 127 Ų | 127 | 141.9 Ų | 141.9 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | | | | -145.8 | 173.2 | 72.9 | 40.7 | -23 | 0 | 0 | 0 | 116.6 | | |
| 53 | S | 30.9 | Very low | 30.3 | Very low | 108 Ų | 108 | 138.8 Ų | 138.8 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | | | trans | -67.6 | -176.1 | 158.9 | -29.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 54 | P | 34.8 | Very low | 30.6 | Very low | 119 Ų | 119 | 137.7 Ų | 137.7 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | | | cis | -133.3 | 178.5 | -6.2 | 42.3 | -27.2 | 0 | 0 | 0 | 114.4 | | |
| 55 | D | 31.7 | Very low | 30.8 | Very low | 130 Ų | 130 | 138.2 Ų | 138.2 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | | | trans | -154.5 | 162 | 139.4 | -159.6 | 12.3 | 0 | 0 | 0 | 112.1 | K57 | D55-K57 IonicContact OD1-NZ 3.93Å; D55-K57 IonicContact OD2-NZ 3.78Å; D55-K57 PolarHBondContact OD2-NZ 3.13Å |
| 56 | I | 28.9 | Very low | 30.7 | Very low | 143 Ų | 143 | 140.3 Ų | 140.3 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | | | trans | -120.3 | 129.5 | -173.5 | -62 | 164.9 | 0 | 0 | 0 | 109.9 | | |
| 57 | K | 32 | Very low | 30.6 | Very low | 154 Ų | 154 | 141.9 Ų | 141.9 | 67% | 0.67 | 76% | 0.761 | S | S | * | * | | | trans | -154.6 | 120.3 | 154.6 | -94.3 | 113.5 | -153.3 | 165.1 | 0 | 115.1 | D55 | D55-K57 IonicContact OD1-NZ 3.93Å; D55-K57 IonicContact OD2-NZ 3.78Å; D55-K57 PolarHBondContact OD2-NZ 3.13Å |
| 58 | N | 30.4 | Very low | 30.4 | Very low | 140 Ų | 140 | 144.1 Ų | 144.1 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | | | trans | 60.9 | 101.6 | 136.1 | -58.3 | -18.2 | 0 | 0 | 0 | 121.5 | | |
| 59 | R | 29.9 | Very low | 30.2 | Very low | 237 Ų | 237 | 143.8 Ų | 143.8 | 89% | 0.894 | 76% | 0.762 | S | S | * | * | | | | -177.1 | 100.6 | 106.6 | -95.7 | 165.6 | -171.9 | -146 | 1.3 | 109.8 | | |
| 60 | S | 32.7 | Very low | 29.9 | Very low | 101 Ų | 101 | 144.6 Ų | 144.6 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | | | | 80.3 | 120.4 | 87 | 70.6 | 0 | 0 | 0 | 0 | 113 | | |
| 61 | R | 32.7 | Very low | 29.7 | Very low | 230 Ų | 230 | 142.4 Ų | 142.4 | 87% | 0.868 | 77% | 0.766 | S | S | * | * | | | cis | -144.8 | 142.7 | 10.6 | -79.2 | 160.3 | -179.3 | -176.6 | -2.6 | 108.4 | | |
| 62 | L | 28.5 | Very low | 29.4 | Very low | 162 Ų | 162 | 143.5 Ų | 143.5 | 85% | 0.848 | 77% | 0.766 | S | S | * | * | | | | 46.1 | 128.6 | 87.5 | -66.4 | 173.6 | 0 | 0 | 0 | 114.7 | | |
| 63 | S | 29.2 | Very low | 29.1 | Very low | 95 Ų | 95 | 144.4 Ų | 144.4 | 66% | 0.664 | 76% | 0.764 | S | S | * | * | | | cis | -148.1 | -172.3 | -6.4 | 59.2 | 0 | 0 | 0 | 0 | 108.6 | | |
| 64 | S | 33.7 | Very low | 28.7 | Very low | 102 Ų | 102 | 146.4 Ų | 146.4 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | | | cis | -152.7 | 161.7 | 24.4 | -56.2 | 0 | 0 | 0 | 0 | 108.9 | | |
| 65 | I | 30.9 | Very low | 28.2 | Very low | 133 Ų | 133 | 145.6 Ų | 145.6 | 68% | 0.682 | 76% | 0.762 | S | S | * | * | | | cis | 102.5 | 128.1 | 17.9 | -61.1 | 168.3 | 0 | 0 | 0 | 114.4 | | |
| 66 | N | 30 | Very low | 27.8 | Very low | 137 Ų | 137 | 147 Ų | 147 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | | | trans | 72.1 | 135.1 | 179.3 | -65.3 | -3.7 | 0 | 0 | 0 | 118 | | |
| 67 | N | 30.9 | Very low | 27.8 | Very low | 147 Ų | 147 | 146.4 Ų | 146.4 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | | | cis | -145.9 | 165.2 | -0.1 | -106.8 | -22.9 | 0 | 0 | 0 | 114.1 | | |
| 68 | K | 26.3 | Very low | 27.4 | Very low | 202 Ų | 202 | 142.5 Ų | 142.5 | 88% | 0.878 | 78% | 0.778 | S | S | * | * | | | trans | -93.7 | -179.1 | -177.1 | -69.6 | -178 | -179.8 | 177.7 | 0 | 112 | | |
| 69 | P | 25.7 | Very low | 27.1 | Very low | 116 Ų | 116 | 146.1 Ų | 146.1 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | | | cis | -132.9 | 174.2 | 3.2 | 41.4 | -24.3 | 0 | 0 | 0 | 117.2 | | |
| 70 | L | 22.4 | Very low | 27.1 | Very low | 156 Ų | 156 | 139.6 Ų | 139.6 | 82% | 0.817 | 78% | 0.778 | S | S | * | * | | | trans | -88.2 | 146.9 | 159.2 | -92.6 | 157.8 | 0 | 0 | 0 | 110.3 | | |
| 71 | V | 25.4 | Very low | 26.9 | Very low | 131 Ų | 131 | 140.5 Ų | 140.5 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | | | trans | -128.2 | 127 | 156.3 | 178.8 | 0 | 0 | 0 | 0 | 107.7 | | |
| 72 | L | 21.7 | Very low | 26.6 | Very low | 143 Ų | 143 | 136.1 Ų | 136.1 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | | | trans | -112.7 | 139.9 | 166.9 | -88.6 | 162.7 | 0 | 0 | 0 | 107.2 | | |
| 73 | N | 23 | Very low | 26.7 | Very low | 147 Ų | 147 | 135.3 Ų | 135.3 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | | | trans | -138 | 141.2 | 161.7 | -159.9 | 18.4 | 0 | 0 | 0 | 108.7 | | |
| 74 | I | 22 | Very low | 26.7 | Very low | 149 Ų | 149 | 136 Ų | 136 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | | | trans | -135 | 114.8 | -170.7 | -56 | 174.8 | 0 | 0 | 0 | 108.2 | | |
| 75 | S | 24 | Very low | 26.5 | Very low | 102 Ų | 102 | 136.3 Ų | 136.3 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | | | trans | -160.9 | 97.5 | 176.1 | 56.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 76 | N | 23.6 | Very low | 26.5 | Very low | 159 Ų | 159 | 139.2 Ų | 139.2 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | | | trans | -81.4 | 171.8 | 144.9 | -77.3 | -11 | 0 | 0 | 0 | 108.2 | | |
| 77 | P | 28 | Very low | 26.3 | Very low | 132 Ų | 132 | 137.4 Ų | 137.4 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | | | cis | -122.4 | -164.8 | -12.5 | 40.5 | -25.8 | 0 | 0 | 0 | 111.3 | | |
| 78 | G | 24 | Very low | 26.2 | Very low | 71 Ų | 71 | 136.3 Ų | 136.3 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | | | trans | 125.8 | 157.4 | 153.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 79 | F | 24 | Very low | 26.2 | Very low | 217 Ų | 217 | 132.2 Ų | 132.2 | 95% | 0.952 | 77% | 0.772 | S | S | * | * | | | trans | -86 | 168.4 | -171.9 | -84.2 | -101.1 | 0 | 0 | 0 | 115 | | |
| 80 | S | 30.9 | Very low | 26.5 | Very low | 99 Ų | 99 | 132.4 Ų | 132.4 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | | | trans | -61.2 | 164.8 | -177.2 | -38.2 | 0 | 0 | 0 | 0 | 116.1 | | |
| 81 | P | 27.6 | Very low | 26.6 | Very low | 121 Ų | 121 | 128.2 Ų | 128.2 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | | | | -127 | 139.4 | 93 | 5.3 | 16.5 | 0 | 0 | 0 | 112.5 | | |
| 82 | I | 27.5 | Very low | 26.8 | Very low | 138 Ų | 138 | 130.1 Ų | 130.1 | 71% | 0.708 | 77% | 0.77 | S | S | * | * | | | | 92.9 | 136.7 | 58.5 | -73.9 | 167.9 | 0 | 0 | 0 | 113.8 | | |
| 83 | N | 29.1 | Very low | 26.9 | Very low | 145 Ų | 145 | 134.6 Ų | 134.6 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | | | trans | 77.6 | 150.7 | 165.7 | -78.3 | -12.8 | 0 | 0 | 0 | 120.1 | | |
| 84 | P | 29.9 | Very low | 27.6 | Very low | 108 Ų | 108 | 132.6 Ų | 132.6 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | | | cis | -143.1 | 151.9 | -43.6 | 36.7 | -20 | 0 | 0 | 0 | 115.1 | | |
| 85 | S | 28.8 | Very low | 27.8 | Very low | 110 Ų | 110 | 130 Ų | 130 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | | | | 175.8 | 137.6 | 118.1 | 42.9 | 0 | 0 | 0 | 0 | 113.4 | | |
| 86 | K | 30.7 | Very low | 27.9 | Very low | 194 Ų | 194 | 131 Ų | 131 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | | | trans | 53.8 | 85.9 | 162.2 | -62.2 | 178.7 | -178.3 | 179.9 | 0 | 116.1 | | |
| 87 | S | 27 | Very low | 27.8 | Very low | 98 Ų | 98 | 129.1 Ų | 129.1 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | | | | 74.7 | 124.7 | 82 | 69.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 88 | T | 28.2 | Very low | 27.9 | Very low | 125 Ų | 125 | 128.5 Ų | 128.5 | 77% | 0.767 | 76% | 0.76 | S | S | * | * | | | cis | -164.4 | 164.2 | 10.8 | -0.3 | 0 | 0 | 0 | 0 | 107.9 | | |
| 89 | T | 27.6 | Very low | 27.9 | Very low | 116 Ų | 116 | 132.1 Ų | 132.1 | 71% | 0.712 | 76% | 0.762 | S | S | * | * | | | cis | -146 | -151.6 | 14.6 | -28.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 90 | T | 31.5 | Very low | 27.9 | Very low | 119 Ų | 119 | 125.8 Ų | 125.8 | 73% | 0.73 | 74% | 0.744 | S | S | * | * | | | trans | -30.8 | 137.9 | 157.8 | 47.4 | 0 | 0 | 0 | 0 | 115.5 | | |
| 91 | G | 24.1 | Very low | 27.7 | Very low | 69 Ų | 69 | 128.7 Ų | 128.7 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | | | cis | 85.4 | 104.1 | -1.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 92 | L | 28.6 | Very low | 27.5 | Very low | 170 Ų | 170 | 133.2 Ų | 133.2 | 89% | 0.89 | 75% | 0.753 | S | S | * | * | | | trans | -171.8 | 143.7 | 156.5 | -102.7 | 161.8 | 0 | 0 | 0 | 109.4 | | |
| 93 | W | 23.9 | Very low | 27.4 | Very low | 237 Ų | 237 | 133.3 Ų | 133.3 | 90% | 0.898 | 75% | 0.754 | S | S | * | * | | | trans | -113.4 | -177.8 | 170.7 | -85.9 | 49.5 | 0 | 0 | 0 | 108.4 | | |
| 94 | P | 38.4 | Very low | 27.3 | Very low | 106 Ų | 106 | 132.1 Ų | 132.1 | 69% | 0.688 | 75% | 0.746 | S | S | * | * | | | | -108.9 | -178.2 | -69.8 | 42.1 | -28.4 | 0 | 0 | 0 | 109.6 | | |
| 95 | P | 25.8 | Very low | 27.2 | Very low | 95 Ų | 95 | 133.1 Ų | 133.1 | 62% | 0.617 | 75% | 0.745 | S | S | * | * | | | | -153 | -169.4 | 82 | 39.7 | -18.7 | 0 | 0 | 0 | 114 | I97 | P95-I97 HydrophobicContact CG-CD1 4.06Å; P95-I97 HydrophobicContact CG-CG1 4.03Å; P95-I97 PolarHBondContact O-N 3.16Å |
| 96 | S | 25.8 | Very low | 27.2 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 85% | 0.853 | 75% | 0.745 | S | S | * | * | | | trans | -65.6 | 113.4 | 168 | 50.8 | 0 | 0 | 0 | 0 | 112 | | |
| 97 | I | 23.2 | Very low | 27.1 | Very low | 120 Ų | 120 | 133.2 Ų | 133.2 | 62% | 0.615 | 74% | 0.739 | S | S | * | * | | | trans | -133.9 | 111.5 | 176.3 | -63.2 | 179.6 | 0 | 0 | 0 | 108.9 | P95 L99 | P95-I97 HydrophobicContact CG-CD1 4.06Å; P95-I97 HydrophobicContact CG-CG1 4.03Å; P95-I97 PolarHBondContact O-N 3.16Å; I97-L99 HydrophobicContact CG2-CD1 4.37Å |
| 98 | S | 29.6 | Very low | 27.1 | Very low | 118 Ų | 118 | 136.1 Ų | 136.1 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | | | trans | -71.6 | 157.4 | 155.2 | -176.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 99 | L | 23.1 | Very low | 27.1 | Very low | 148 Ų | 148 | 133.8 Ų | 133.8 | 78% | 0.775 | 75% | 0.747 | S | S | * | * | | | trans | 111.6 | 131.6 | -166.2 | -66.3 | 156.9 | 0 | 0 | 0 | 109.8 | I97 | I97-L99 HydrophobicContact CG2-CD1 4.37Š|
| 100 | S | 24.4 | Very low | 27.1 | Very low | 84 Ų | 84 | 135.9 Ų | 135.9 | 59% | 0.587 | 75% | 0.754 | S | S | * | * | | | cis | -161.2 | 160.7 | -8.5 | -89.8 | 0 | 0 | 0 | 0 | 109.2 | R102 | S100-R102 PolarHBondContact O-N 3.26Š|
| 101 | N | 26.1 | Very low | 26.9 | Very low | 159 Ų | 159 | 135.4 Ų | 135.4 | 85% | 0.85 | 76% | 0.756 | S | S | * | * | | | trans | -60 | 99.5 | 155.3 | -74.1 | -23.5 | 0 | 0 | 0 | 108.4 | I103 | N101-I103 VanDerWaalsContact C-N 3.29Å; N101-I103 PolarHBondContact O-N 2.89Å |
| 102 | R | 24.7 | Very low | 27 | Very low | 217 Ų | 217 | 139.1 Ų | 139.1 | 82% | 0.819 | 76% | 0.759 | S | S | * | * | | | trans | -74.8 | 82.8 | -178.7 | -101.6 | -170.1 | 174.7 | -167.8 | -0.1 | 110.5 | S100 I104 | S100-R102 PolarHBondContact O-N 3.26Å; R102-I104 VanDerWaalsContact C-N 3.32Å; R102-I104 HydrophobicContact CB-CG1 4.43Å; R102-I104 PolarHBondContact O-N 2.98Å |
| 103 | I | 25 | Very low | 26.8 | Very low | 139 Ų | 139 | 138 Ų | 138 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | | | trans | -64 | 94.4 | 162.7 | -58.1 | 171.1 | 0 | 0 | 0 | 107.3 | N101 N105 L112 | N101-I103 VanDerWaalsContact C-N 3.29Å; N101-I103 PolarHBondContact O-N 2.89Å; I103-N105 PolarHBondContact O-N 3.05Å; I103-L112 HydrophobicContact CG2-CD1 4.39Å |
| 104 | I | 28 | Very low | 26.9 | Very low | 121 Ų | 121 | 135 Ų | 135 | 62% | 0.621 | 75% | 0.752 | S | S | * | * | | | trans | -87.1 | 90.2 | 172.3 | -60.7 | -179.1 | 0 | 0 | 0 | 107.6 | R102 K106 | R102-I104 VanDerWaalsContact C-N 3.32Å; R102-I104 HydrophobicContact CB-CG1 4.43Å; R102-I104 PolarHBondContact O-N 2.98Å; I104-K106 HydrophobicContact CG2-CG 4.36Å; I104-K106 PolarHBondContact O-N 2.82Å |
| 105 | N | 26.4 | Very low | 26.3 | Very low | 128 Ų | 128 | 136.6 Ų | 136.6 | 68% | 0.684 | 75% | 0.751 | S | S | * | * | | | trans | -61.6 | 119.3 | 165.8 | 177.7 | -5.1 | 0 | 0 | 0 | 109.1 | I103 N107 | I103-N105 PolarHBondContact O-N 3.05Å; N105-N107 PolarHBondContact OD1-N 3.46Å |
| 106 | K | 28.8 | Very low | 26.3 | Very low | 174 Ų | 174 | 139.8 Ų | 139.8 | 76% | 0.757 | 76% | 0.763 | S | S | * | * | | | trans | -133.2 | 103.7 | 160.4 | -83.8 | -167.8 | 174 | -176.6 | 0 | 110.5 | I104 | I104-K106 HydrophobicContact CG2-CG 4.36Å; I104-K106 PolarHBondContact O-N 2.82Å |
| 107 | N | 28.1 | Very low | 26.3 | Very low | 133 Ų | 133 | 141.4 Ų | 141.4 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | S | Bend | trans | 79.4 | 125.5 | 161 | -50.7 | -9.4 | 0 | 0 | 0 | 116.2 | N105 | N105-N107 PolarHBondContact OD1-N 3.46Š|
| 108 | N | 28 | Very low | 26.3 | Very low | 158 Ų | 158 | 138.8 Ų | 138.8 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | S | Bend | trans | 62.4 | 65.5 | 151.1 | -56.1 | 3.5 | 0 | 0 | 0 | 117.2 | | |
| 109 | G | 27.3 | Very low | 26.1 | Very low | 77 Ų | 77 | 143.4 Ų | 143.4 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | | | trans | 48.6 | 73.2 | 134.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 110 | D | 27.9 | Very low | 26.2 | Very low | 160 Ų | 160 | 140.9 Ų | 140.9 | 86% | 0.856 | 76% | 0.761 | S | S | * | * | | | trans | -151 | 163.2 | 149.4 | -122.1 | -32.7 | 0 | 0 | 0 | 110.8 | L112 | D110-L112 PolarHBondContact O-N 3.3Š|
| 111 | S | 27 | Very low | 26.1 | Very low | 109 Ų | 109 | 142.9 Ų | 142.9 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | | | trans | -77.1 | 122.1 | -173.4 | -67.1 | 0 | 0 | 0 | 0 | 112.8 | I113 | S111-I113 PolarHBondContact O-N 3.46Å; S111-I113 VanDerWaalsContact O-N 3.1Å |
| 112 | L | 26.6 | Very low | 26 | Very low | 147 Ų | 147 | 143.7 Ų | 143.7 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | | | trans | -72.9 | 101.3 | -178.5 | -80.4 | 169.1 | 0 | 0 | 0 | 112.8 | I103 D110 | I103-L112 HydrophobicContact CG2-CD1 4.39Å; D110-L112 PolarHBondContact O-N 3.3Å |
| 113 | I | 24.7 | Very low | 26.2 | Very low | 146 Ų | 146 | 137.8 Ų | 137.8 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | | | trans | -84.5 | 118.5 | 164.4 | -60.4 | 172.1 | 0 | 0 | 0 | 108.4 | S111 Q115 | S111-I113 PolarHBondContact O-N 3.46Å; S111-I113 VanDerWaalsContact O-N 3.1Å; I113-Q115 HydrophobicContact CG2-CG 4.32Å; I113-Q115 PolarHBondContact O-N 3.23Å |
| 114 | L | 27.2 | Very low | 26.1 | Very low | 173 Ų | 173 | 138.6 Ų | 138.6 | 91% | 0.906 | 77% | 0.768 | S | S | * | * | | | trans | -86.5 | 105.5 | 168.5 | -86.4 | 167.2 | 0 | 0 | 0 | 109.9 | | |
| 115 | Q | 24.8 | Very low | 26 | Very low | 141 Ų | 141 | 137.7 Ų | 137.7 | 66% | 0.659 | 77% | 0.772 | S | S | * | * | | | trans | -78.8 | 151.2 | 169 | -62 | -178.3 | -90.1 | 0 | 0 | 110.6 | I113 | I113-Q115 HydrophobicContact CG2-CG 4.32Å; I113-Q115 PolarHBondContact O-N 3.23Å |
| 116 | N | 26.2 | Very low | 26 | Very low | 162 Ų | 162 | 137.8 Ų | 137.8 | 87% | 0.866 | 77% | 0.773 | S | S | * | * | | | trans | -138.6 | 135.2 | 158.6 | -136.8 | -6.8 | 0 | 0 | 0 | 106.5 | | |
| 117 | D | 25 | Very low | 25.8 | Very low | 155 Ų | 155 | 137.3 Ų | 137.3 | 83% | 0.829 | 77% | 0.773 | S | S | * | * | | | trans | -75.2 | 134.5 | -153.6 | -71.3 | -67.7 | 0 | 0 | 0 | 115.8 | | |
| 118 | G | 24.3 | Very low | 25.7 | Very low | 66 Ų | 66 | 137.9 Ų | 137.9 | 68% | 0.68 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -169.4 | 28.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 119 | F | 25.1 | Very low | 25.5 | Very low | 215 Ų | 215 | 136.5 Ų | 136.5 | 94% | 0.943 | 76% | 0.764 | S | S | * | * | | | trans | 70.3 | 135.5 | -173.3 | -78.8 | -92.2 | 0 | 0 | 0 | 117 | | |
| 120 | V | 24 | Very low | 25.4 | Very low | 95 Ų | 95 | 139.3 Ų | 139.3 | 58% | 0.576 | 77% | 0.77 | S | S | * | * | | | trans | -127.4 | 133.5 | -169.4 | 173.6 | 0 | 0 | 0 | 0 | 110.5 | K122 | V120-K122 HydrophobicContact CG1-CB 4.21Š|
| 121 | P | 23.2 | Very low | 25.1 | Very low | 126 Ų | 126 | 143.2 Ų | 143.2 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | -89.1 | 124.1 | 163.4 | 33.1 | -28.7 | 0 | 0 | 0 | 110.7 | | |
| 122 | K | 24.8 | Very low | 25.2 | Very low | 175 Ų | 175 | 144.9 Ų | 144.9 | 76% | 0.761 | 77% | 0.772 | S | S | * | * | | | trans | -154.6 | 97 | 176 | -166.7 | 167.7 | -175.3 | 173.1 | 0 | 115.9 | V120 | V120-K122 HydrophobicContact CG1-CB 4.21Š|
| 123 | A | 27.1 | Very low | 25.2 | Very low | 93 Ų | 93 | 143.8 Ų | 143.8 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | | | trans | -175.5 | 109.1 | 150.9 | 0 | 0 | 0 | 0 | 0 | 104.6 | | |
| 124 | M | 24.7 | Very low | 25.3 | Very low | 156 Ų | 156 | 143 Ų | 143 | 77% | 0.768 | 78% | 0.775 | S | S | * | * | | | cis | 67.6 | 131 | 49.9 | -54.4 | -149.2 | -27.5 | 0 | 0 | 114.6 | | |
| 125 | S | 25.1 | Very low | 25.2 | Very low | 102 Ų | 102 | 139.9 Ų | 139.9 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | | | trans | 66.9 | 135 | 173.7 | -87.9 | 0 | 0 | 0 | 0 | 116 | | |
| 126 | D | 25.5 | Very low | 25.2 | Very low | 131 Ų | 131 | 140.2 Ų | 140.2 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | | | cis | -151.6 | 154.7 | 8.1 | -80.8 | -47 | 0 | 0 | 0 | 112 | | |
| 127 | Q | 25.7 | Very low | 25.2 | Very low | 164 Ų | 164 | 138.9 Ų | 138.9 | 77% | 0.766 | 76% | 0.764 | S | S | * | * | | | trans | 58.4 | 156.4 | 152.2 | -68.7 | -178.7 | -40.2 | 0 | 0 | 118.9 | | |
| 128 | Q | 26.1 | Very low | 25.2 | Very low | 144 Ų | 144 | 137 Ų | 137 | 67% | 0.673 | 75% | 0.754 | S | S | * | * | | | cis | -153.4 | 160.1 | -5 | -126.4 | 169.8 | -39.1 | 0 | 0 | 111.6 | | |
| 129 | D | 24 | Very low | 25.2 | Very low | 130 Ų | 130 | 139.2 Ų | 139.2 | 70% | 0.695 | 75% | 0.751 | S | S | * | * | | | trans | 15.4 | 126.9 | 156.4 | -58.9 | -51.1 | 0 | 0 | 0 | 122 | | |
| 130 | C | 23.7 | Very low | 25.3 | Very low | 135 Ų | 135 | 136.6 Ų | 136.6 | 91% | 0.912 | 74% | 0.742 | S | S | * | * | | | | -172.7 | 150.6 | 106.5 | -95.7 | 0 | 0 | 0 | 0 | 115.8 | | |
| 131 | R | 23.3 | Very low | 25.3 | Very low | 243 Ų | 243 | 138.3 Ų | 138.3 | 92% | 0.917 | 75% | 0.752 | S | S | * | * | | | trans | -80.7 | 162.2 | -158.4 | -62.2 | 171.6 | 177 | 173.9 | -2 | 116.8 | | |
| 132 | I | 28.4 | Very low | 25.5 | Very low | 144 Ų | 144 | 139.1 Ų | 139.1 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | | | trans | -67.4 | 166.1 | 166.5 | -22.9 | 176.3 | 0 | 0 | 0 | 111.5 | T134 | I132-T134 HydrophobicContact CG2-CG2 4.23Š|
| 133 | P | 25.8 | Very low | 25.4 | Very low | 124 Ų | 124 | 137 Ų | 137 | 81% | 0.805 | 76% | 0.756 | S | S | * | * | | | | -135.5 | 150.5 | 119 | 37.9 | -29.1 | 0 | 0 | 0 | 115.1 | | |
| 134 | T | 26.7 | Very low | 25.4 | Very low | 128 Ų | 128 | 141.7 Ų | 141.7 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | | | trans | -118.2 | 132.2 | 175.1 | 48.3 | 0 | 0 | 0 | 0 | 111.7 | I132 | I132-T134 HydrophobicContact CG2-CG2 4.23Š|
| 135 | S | 25.1 | Very low | 25.3 | Very low | 108 Ų | 108 | 141.9 Ų | 141.9 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | | | trans | -170.7 | 159.6 | 171.4 | 59.6 | 0 | 0 | 0 | 0 | 108.2 | | |
| 136 | I | 25.5 | Very low | 25.2 | Very low | 149 Ų | 149 | 142.6 Ų | 142.6 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | | | cis | -174.3 | 150 | -11.1 | -107.5 | 172 | 0 | 0 | 0 | 103.3 | | |
| 137 | I | 25.6 | Very low | 25 | Very low | 133 Ų | 133 | 141.2 Ų | 141.2 | 68% | 0.682 | 77% | 0.766 | S | S | * | * | | | cis | 178.5 | 171.1 | -5 | -146.2 | 174.7 | 0 | 0 | 0 | 106.3 | | |
| 138 | N | 25.3 | Very low | 24.8 | Very low | 115 Ų | 115 | 138.5 Ų | 138.5 | 62% | 0.615 | 77% | 0.765 | S | S | * | * | | | trans | 66.4 | 113.9 | 158.3 | -76.7 | 43.8 | 0 | 0 | 0 | 124.2 | | |
| 139 | D | 25.4 | Very low | 24.7 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 61% | 0.61 | 77% | 0.77 | S | S | * | * | | | | 111.9 | 141.5 | 102.2 | -80.6 | 9.2 | 0 | 0 | 0 | 125.5 | | |
| 140 | Q | 27.2 | Very low | 24.5 | Very low | 160 Ų | 160 | 138.9 Ų | 138.9 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | | | trans | 72.5 | 82.4 | 144 | -70.8 | 166.8 | 59.3 | 0 | 0 | 120.1 | | |
| 141 | T | 24.2 | Very low | 24.5 | Very low | 130 Ų | 130 | 139.9 Ų | 139.9 | 80% | 0.798 | 77% | 0.774 | S | S | * | * | | | | 2.8 | 137.5 | 128.8 | 54.8 | 0 | 0 | 0 | 0 | 119.5 | | |
| 142 | V | 26.3 | Very low | 24.5 | Very low | 144 Ų | 144 | 131.9 Ų | 131.9 | 87% | 0.873 | 76% | 0.76 | S | S | * | * | | | | -163.5 | 151.3 | 116 | 134.7 | 0 | 0 | 0 | 0 | 112 | | |
| 143 | V | 23.2 | Very low | 24.2 | Very low | 129 Ų | 129 | 129.6 Ų | 129.6 | 78% | 0.782 | 76% | 0.763 | S | S | * | * | | | trans | -77.1 | 138.5 | -173.7 | 171.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 144 | K | 26.3 | Very low | 24.1 | Very low | 193 Ų | 193 | 131 Ų | 131 | 84% | 0.839 | 76% | 0.764 | S | S | * | * | | | trans | -174.1 | 124.5 | 133.8 | -103.3 | 157.5 | -174 | 177.3 | 0 | 113.4 | | |
| 145 | N | 22.4 | Very low | 23.9 | Very low | 160 Ų | 160 | 132.8 Ų | 132.8 | 86% | 0.856 | 77% | 0.768 | S | S | * | * | | | trans | -66.9 | 144.1 | 150.6 | -90.7 | -25.5 | 0 | 0 | 0 | 108.1 | | |
| 146 | P | 23.7 | Very low | 23.6 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | | | | -138.5 | 171.1 | 103.5 | 39.1 | -28.6 | 0 | 0 | 0 | 114.6 | | |
| 147 | S | 21.6 | Very low | 23.4 | Very low | 102 Ų | 102 | 130.3 Ų | 130.3 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | | | trans | -60 | 161.9 | 172 | 47.3 | 0 | 0 | 0 | 0 | 114.5 | | |
| 148 | S | 21.9 | Very low | 23.2 | Very low | 106 Ų | 106 | 129.6 Ų | 129.6 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | | | trans | 55.6 | 101 | 162.2 | 58.2 | 0 | 0 | 0 | 0 | 117.6 | | |
| 149 | I | 22.6 | Very low | 22.9 | Very low | 151 Ų | 151 | 130 Ų | 130 | 77% | 0.774 | 78% | 0.778 | S | S | * | * | | | trans | -125.2 | 118.1 | 153.9 | -63.2 | -179.9 | 0 | 0 | 0 | 108.3 | L151 | I149-L151 HydrophobicContact CG2-CD1 3.86Å; I149-L151 HydrophobicContact CG2-CG 3.91Å |
| 150 | C | 20.3 | Very low | 22.7 | Very low | 131 Ų | 131 | 131.6 Ų | 131.6 | 89% | 0.885 | 79% | 0.785 | S | S | * | * | | | trans | -88.8 | 120.1 | 167.8 | -64.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 151 | L | 23.4 | Very low | 22.4 | Very low | 157 Ų | 157 | 128.6 Ų | 128.6 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | | | trans | -141.7 | 140.4 | 168 | -76.6 | 164.4 | 0 | 0 | 0 | 107.3 | I149 | I149-L151 HydrophobicContact CG2-CD1 3.86Å; I149-L151 HydrophobicContact CG2-CG 3.91Å |
| 152 | A | 23.6 | Very low | 22.4 | Very low | 74 Ų | 74 | 128.3 Ų | 128.3 | 61% | 0.612 | 78% | 0.782 | S | S | * | * | | | cis | -178.4 | 122.6 | -19.1 | 0 | 0 | 0 | 0 | 0 | 101.7 | N154 | A152-N154 PolarHBondContact O-N 3.27Å; A152-N154 VanDerWaalsContact O-N 3.13Å |
| 153 | A | 21.6 | Very low | 22.2 | Very low | 97 Ų | 97 | 125.9 Ų | 125.9 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | | | trans | -73.9 | 109.8 | -171.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 154 | N | 23.9 | Very low | 22.3 | Very low | 154 Ų | 154 | 127.1 Ų | 127.1 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | | | trans | -104 | 115.3 | 167.5 | -87.1 | -31.6 | 0 | 0 | 0 | 109.7 | A152 A156 | A152-N154 PolarHBondContact O-N 3.27Å; A152-N154 VanDerWaalsContact O-N 3.13Å; N154-A156 PolarHBondContact O-N 3.23Å |
| 155 | N | 22.3 | Very low | 22.2 | Very low | 165 Ų | 165 | 122.9 Ų | 122.9 | 88% | 0.882 | 77% | 0.771 | S | S | * | * | | | trans | -74.9 | 110.5 | -176.3 | -66.6 | -50 | 0 | 0 | 0 | 111.2 | | |
| 156 | A | 20.3 | Very low | 22.3 | Very low | 87 Ų | 87 | 122.7 Ų | 122.7 | 72% | 0.719 | 77% | 0.77 | S | S | * | * | | | trans | -122.4 | 94.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | N154 V158 | N154-A156 PolarHBondContact O-N 3.23Å; A156-V158 PolarHBondContact O-N 3.02Å |
| 157 | S | 20.5 | Very low | 22.3 | Very low | 118 Ų | 118 | 128.6 Ų | 128.6 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | | | trans | -78.9 | 103.2 | 178 | 55.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 158 | V | 20.3 | Very low | 22.5 | Very low | 118 Ų | 118 | 129.2 Ų | 129.2 | 72% | 0.715 | 77% | 0.771 | S | S | * | * | | | trans | -96.3 | 102 | 177.9 | -174.6 | 0 | 0 | 0 | 0 | 110.9 | A156 I160 | A156-V158 PolarHBondContact O-N 3.02Å; V158-I160 HydrophobicContact CG1-CD1 4.38Å; V158-I160 HydrophobicContact CG1-CG1 3.93Å; V158-I160 PolarHBondContact O-N 3.38Å |
| 159 | T | 19.5 | Very low | 22.6 | Very low | 124 Ų | 124 | 130.5 Ų | 130.5 | 76% | 0.761 | 78% | 0.775 | S | S | * | * | | | trans | -83.8 | 98.2 | 178.7 | -52.3 | 0 | 0 | 0 | 0 | 111 | S161 | T159-S161 PolarHBondContact O-N 3.33Š|
| 160 | I | 22.2 | Very low | 22.6 | Very low | 146 Ų | 146 | 129.3 Ų | 129.3 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | | | trans | -91.3 | 93.8 | 177.6 | -52.7 | -177 | 0 | 0 | 0 | 110.5 | V158 | V158-I160 HydrophobicContact CG1-CD1 4.38Å; V158-I160 HydrophobicContact CG1-CG1 3.93Å; V158-I160 PolarHBondContact O-N 3.38Å |
| 161 | S | 20.1 | Very low | 22.8 | Very low | 98 Ų | 98 | 128 Ų | 128 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | | | trans | -76.6 | 122.5 | 170 | -65 | 0 | 0 | 0 | 0 | 110.7 | T159 A163 | T159-S161 PolarHBondContact O-N 3.33Å; S161-A163 PolarHBondContact O-N 2.96Å |
| 162 | P | 25.3 | Very low | 23 | Very low | 123 Ų | 123 | 125.3 Ų | 125.3 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | | | trans | -74.8 | 99.5 | 179.1 | 29.4 | -33.7 | 0 | 0 | 0 | 111.2 | L164 | P162-L164 PolarHBondContact O-N 3.05Š|
| 163 | A | 22.2 | Very low | 23.1 | Very low | 94 Ų | 94 | 129.5 Ų | 129.5 | 78% | 0.777 | 78% | 0.777 | S | S | * | * | | | trans | -66.3 | 121.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111 | S161 P165 | S161-A163 PolarHBondContact O-N 2.96Å; A163-P165 WeakPolarHBondContact O-CD 3.35Å |
| 164 | L | 24 | Very low | 23.3 | Very low | 155 Ų | 155 | 136 Ų | 136 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | | | trans | -74.8 | 121.3 | -179.4 | -82.6 | 159.7 | 0 | 0 | 0 | 111.9 | P162 N166 | P162-L164 PolarHBondContact O-N 3.05Å; L164-N166 PolarHBondContact O-N 2.96Å; L164-N166 VanDerWaalsContact O-N 3.12Å |
| 165 | P | 25.4 | Very low | 23.4 | Very low | 104 Ų | 104 | 133.6 Ų | 133.6 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | | | trans | -72.8 | 104 | 172.2 | -16.8 | 32.7 | 0 | 0 | 0 | 110.9 | A163 R167 | A163-P165 WeakPolarHBondContact O-CD 3.35Å; P165-R167 VanDerWaalsContact C-N 3.32Å; P165-R167 PolarHBondContact O-N 2.95Å |
| 166 | N | 23.4 | Very low | 23.7 | Very low | 155 Ų | 155 | 131.3 Ų | 131.3 | 83% | 0.829 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -71.5 | 78.8 | 177.6 | -87.7 | -32.5 | 0 | 0 | 0 | 112.4 | L164 | L164-N166 PolarHBondContact O-N 2.96Å; L164-N166 VanDerWaalsContact O-N 3.12Å |
| 167 | R | 23.2 | Very low | 24.2 | Very low | 242 Ų | 242 | 133.7 Ų | 133.7 | 91% | 0.913 | 78% | 0.776 | S | S | * | * | | | trans | 169.7 | 103.7 | 149.5 | -94.8 | 154.9 | -173.1 | -154.5 | 3 | 110.3 | P165 | P165-R167 VanDerWaalsContact C-N 3.32Å; P165-R167 PolarHBondContact O-N 2.95Å |
| 168 | I | 26.1 | Very low | 24.7 | Very low | 114 Ų | 114 | 138.2 Ų | 138.2 | 59% | 0.585 | 78% | 0.775 | S | S | * | * | | | trans | -129.7 | 108.1 | 168.5 | -60.2 | 157.4 | 0 | 0 | 0 | 108.8 | F173 | I168-F173 HydrophobicContact CD1-CE2 4.07Å; I168-F173 HydrophobicContact CD1-CZ 3.88Å; I168-F173 HydrophobicContact CG2-CE2 4.03Å |
| 169 | T | 25.2 | Very low | 25.1 | Very low | 134 Ų | 134 | 142.2 Ų | 142.2 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | | | trans | -78.8 | 134.3 | 171.2 | 44.1 | 0 | 0 | 0 | 0 | 110.5 | S171 | T169-S171 PolarHBondContact O-N 3.1Å; T169-S171 VanDerWaalsContact O-N 3.14Å |
| 170 | S | 22.7 | Very low | 25.6 | Very low | 126 Ų | 126 | 142.8 Ų | 142.8 | 88% | 0.881 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -37.8 | 105.1 | -173 | 54.8 | 0 | 0 | 0 | 0 | 116.9 | | |
| 171 | S | 24.5 | Very low | 25.9 | Very low | 104 Ų | 104 | 139.2 Ų | 139.2 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | | | trans | -143.6 | 166.5 | 150 | 84.7 | 0 | 0 | 0 | 0 | 109.9 | T169 F173 | T169-S171 PolarHBondContact O-N 3.1Å; T169-S171 VanDerWaalsContact O-N 3.14Å; S171-F173 PolarHBondContact O-N 3.04Å |
| 172 | A | 26.6 | Very low | 26.3 | Very low | 100 Ų | 100 | 141.7 Ų | 141.7 | 83% | 0.826 | 77% | 0.767 | S | S | * | * | | | trans | -81.5 | 101.6 | -166.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | R174 | A172-R174 PolarHBondContact O-N 2.93Å; A172-R174 VanDerWaalsContact O-N 3.16Å |
| 173 | F | 25.8 | Very low | 26.5 | Very low | 162 Ų | 162 | 142.7 Ų | 142.7 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -49 | 119.4 | 166.7 | -90.9 | -82.7 | 0 | 0 | 0 | 111.8 | I168 S171 | I168-F173 HydrophobicContact CD1-CE2 4.07Å; I168-F173 HydrophobicContact CD1-CZ 3.88Å; I168-F173 HydrophobicContact CG2-CE2 4.03Å; S171-F173 PolarHBondContact O-N 3.04Å |
| 174 | R | 26.9 | Very low | 27 | Very low | 232 Ų | 232 | 141.9 Ų | 141.9 | 88% | 0.875 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 135.8 | 152.9 | -75.5 | -177.8 | 169.7 | -176.5 | -3.7 | 108 | A172 | A172-R174 PolarHBondContact O-N 2.93Å; A172-R174 VanDerWaalsContact O-N 3.16Å |
| 175 | S | 25.2 | Very low | 27.4 | Very low | 105 Ų | 105 | 142.1 Ų | 142.1 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 136.3 | 167.6 | 44.4 | 0 | 0 | 0 | 0 | 109.8 | T177 | S175-T177 PolarHBondContact O-N 3.49Š|
| 176 | P | 28.3 | Very low | 27.4 | Very low | 116 Ų | 116 | 143.5 Ų | 143.5 | 75% | 0.753 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 128.2 | 179 | 28.2 | -33.8 | 0 | 0 | 0 | 110.8 | R178 | P176-R178 PolarHBondContact O-N 3.44Š|
| 177 | T | 30.6 | Very low | 27.5 | Very low | 138 Ų | 138 | 140.3 Ų | 140.3 | 85% | 0.847 | 75% | 0.747 | S | S | * | * | | | trans | -62.8 | 112.8 | 166.7 | -36 | 0 | 0 | 0 | 0 | 107.6 | S175 F179 | S175-T177 PolarHBondContact O-N 3.49Å; T177-F179 PolarHBondContact O-N 3.05Å |
| 178 | R | 31.9 | Very low | 27.8 | Very low | 213 Ų | 213 | 133.3 Ų | 133.3 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | | | trans | -72.8 | 114.9 | -176.7 | -69.3 | -171.1 | -176.5 | -167.2 | 2.4 | 110.2 | P176 I180 | P176-R178 PolarHBondContact O-N 3.44Å; R178-I180 PolarHBondContact O-N 3.46Å |
| 179 | F | 28 | Very low | 27.7 | Very low | 202 Ų | 202 | 132.3 Ų | 132.3 | 89% | 0.886 | 74% | 0.735 | S | S | * | * | | | trans | -60 | 126.1 | 151.2 | -79.4 | -100.6 | 0 | 0 | 0 | 108.2 | T177 | T177-F179 PolarHBondContact O-N 3.05Š|
| 180 | I | 29.7 | Very low | 27.7 | Very low | 135 Ų | 135 | 133.5 Ų | 133.5 | 69% | 0.692 | 74% | 0.736 | S | S | * | * | | | trans | -107.3 | 105.1 | 160.7 | -60 | 176.8 | 0 | 0 | 0 | 104.7 | R178 | R178-I180 PolarHBondContact O-N 3.46Š|
| 181 | P | 27.8 | Very low | 27.8 | Very low | 71 Ų | 71 | 136.9 Ų | 136.9 | 46% | 0.461 | 73% | 0.729 | S | S | . | * | | | trans | -65.2 | 139.6 | 173.4 | 23.2 | -26.6 | 0 | 0 | 0 | 109.4 | N183 V184 | P181-N183 PolarHBondContact O-N 3.4Å; P181-V184 HydrophobicContact CG-CG2 3.91Å; P181-V184 WeakPolarHBondContact O-CG2 3.18Å; P181-V184 PolarHBondContact O-N 3.44Å; P181-V184 VanDerWaalsContact O-N 3.09Å |
| 182 | E | 30.4 | Very low | 27.7 | Very low | 150 Ų | 150 | 138.4 Ų | 138.4 | 70% | 0.701 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -58.9 | -25.4 | -172.1 | -61.6 | -169.9 | 91.1 | 0 | 0 | 113.2 | V184 K185 | E182-V184 PolarHBondContact O-N 3.2Å; E182-K185 PolarHBondContact O-N 3.2Å |
| 183 | N | 29 | Very low | 27.7 | Very low | 144 Ų | 144 | 140.2 Ų | 140.2 | 77% | 0.77 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -53.3 | -12 | 173.5 | -42.6 | 72 | 0 | 0 | 0 | 114.5 | P181 | P181-N183 PolarHBondContact O-N 3.4Š|
| 184 | V | 32.8 | Very low | 27.5 | Very low | 77 Ų | 77 | 137.6 Ų | 137.6 | 47% | 0.467 | 72% | 0.724 | S | S | . | * | G | 310 helix | trans | -105.4 | 4.9 | -174 | -165.7 | 0 | 0 | 0 | 0 | 112.7 | P181 E182 T186 | P181-V184 HydrophobicContact CG-CG2 3.91Å; P181-V184 WeakPolarHBondContact O-CG2 3.18Å; P181-V184 PolarHBondContact O-N 3.44Å; P181-V184 VanDerWaalsContact O-N 3.09Å; E182-V184 PolarHBondContact O-N 3.2Å; V184-T186 PolarHBondContact O-N 2.92Å |
| 185 | K | 31.5 | Very low | 27.5 | Very low | 161 Ų | 161 | 135.8 Ų | 135.8 | 70% | 0.7 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -11.9 | 178.7 | -81.8 | -179.7 | 173.6 | 174.1 | 0 | 115.1 | E182 | E182-K185 PolarHBondContact O-N 3.2Š|
| 186 | T | 26.2 | Very low | 27.5 | Very low | 133 Ų | 133 | 136.2 Ų | 136.2 | 82% | 0.816 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128 | 23.6 | -162.7 | 46.4 | 0 | 0 | 0 | 0 | 116.9 | V184 | V184-T186 PolarHBondContact O-N 2.92Š|
| 187 | A | 25.6 | Very low | 27.3 | Very low | 87 Ų | 87 | 135.5 Ų | 135.5 | 72% | 0.719 | 72% | 0.719 | S | S | * | * | | | trans | -149 | 31.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 188 | V | 27.9 | Very low | 27.1 | Very low | 95 Ų | 95 | 133.6 Ų | 133.6 | 58% | 0.576 | 71% | 0.711 | S | S | * | * | | | trans | -133.7 | 77.6 | 174.8 | -164.6 | 0 | 0 | 0 | 0 | 113.2 | R191 | V188-R191 HydrophobicContact CG1-CB 4.49Š|
| 189 | S | 25 | Very low | 26.9 | Very low | 94 Ų | 94 | 131.7 Ų | 131.7 | 66% | 0.657 | 71% | 0.708 | S | S | * | * | | | trans | -77.2 | 144.4 | 161.6 | 178.4 | 0 | 0 | 0 | 0 | 110.7 | R191 | S189-R191 PolarHBondContact O-N 3.09Š|
| 190 | N | 24.2 | Very low | 27 | Very low | 159 Ų | 159 | 128.9 Ų | 128.9 | 85% | 0.85 | 70% | 0.703 | S | S | * | * | S | Bend | trans | 49.9 | 60 | 162.1 | -62.7 | -7.6 | 0 | 0 | 0 | 116.9 | | |
| 191 | R | 25.6 | Very low | 26.9 | Very low | 197 Ų | 197 | 128.4 Ų | 128.4 | 74% | 0.743 | 71% | 0.706 | S | S | * | * | | | trans | -131.8 | 118.8 | 162.4 | -71.7 | -168.2 | 174.3 | -171.4 | -1.2 | 112.8 | V188 S189 F193 | V188-R191 HydrophobicContact CG1-CB 4.49Å; S189-R191 PolarHBondContact O-N 3.09Å; R191-F193 VanDerWaalsContact O-CD2 3.31Å; R191-F193 WeakPolarHBondContact O-CD2 3.49Å; R191-F193 WeakPolarHBondContact O-CE2 3.34Å |
| 192 | T | 23.4 | Very low | 26.9 | Very low | 136 Ų | 136 | 129.5 Ų | 129.5 | 83% | 0.834 | 72% | 0.721 | S | S | * | * | | | trans | -70.8 | 128.1 | 177.1 | -43.9 | 0 | 0 | 0 | 0 | 111.3 | | |
| 193 | F | 24.9 | Very low | 26.7 | Very low | 138 Ų | 138 | 131.4 Ų | 131.4 | 61% | 0.605 | 73% | 0.727 | S | S | * | * | | | trans | -107.5 | 101.5 | 177.1 | -70 | -78.4 | 0 | 0 | 0 | 111.9 | R191 F195 | R191-F193 VanDerWaalsContact O-CD2 3.31Å; R191-F193 WeakPolarHBondContact O-CD2 3.49Å; R191-F193 WeakPolarHBondContact O-CE2 3.34Å; F193-F195 HydrophobicContact CB-CE2 4.02Å; F193-F195 HydrophobicContact CB-CZ 4.46Å; F193-F195 PolarHBondContact O-N 3.04Å |
| 194 | C | 22.6 | Very low | 26.6 | Very low | 106 Ų | 106 | 132.7 Ų | 132.7 | 72% | 0.716 | 73% | 0.733 | S | S | * | * | | | trans | -84.2 | 106.6 | 175.2 | -63.1 | 0 | 0 | 0 | 0 | 111.4 | V196 | C194-V196 PolarHBondContact O-N 3.35Š|
| 195 | F | 26.9 | Very low | 26.3 | Very low | 195 Ų | 195 | 134 Ų | 134 | 86% | 0.855 | 75% | 0.745 | S | S | * | * | | | trans | -82.9 | 89.6 | 175.7 | -69.5 | -83 | 0 | 0 | 0 | 111.9 | F193 S197 | F193-F195 HydrophobicContact CB-CE2 4.02Å; F193-F195 HydrophobicContact CB-CZ 4.46Å; F193-F195 PolarHBondContact O-N 3.04Å; F195-S197 PolarHBondContact O-N 3.06Å |
| 196 | V | 24.4 | Very low | 25.9 | Very low | 113 Ų | 113 | 131.4 Ų | 131.4 | 69% | 0.685 | 75% | 0.748 | S | S | * | * | | | trans | -80.6 | 112.4 | 175.9 | -177.4 | 0 | 0 | 0 | 0 | 110.7 | C194 S198 | C194-V196 PolarHBondContact O-N 3.35Å; V196-S198 PolarHBondContact O-N 3.01Å; V196-S198 VanDerWaalsContact O-N 3.09Å |
| 197 | S | 24.9 | Very low | 25.8 | Very low | 101 Ų | 101 | 131.1 Ų | 131.1 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | | | trans | -70.3 | 102 | 170.1 | -175.3 | 0 | 0 | 0 | 0 | 110.3 | F195 K199 | F195-S197 PolarHBondContact O-N 3.06Å; S197-K199 PolarHBondContact O-N 3.13Å |
| 198 | S | 25.8 | Very low | 25.7 | Very low | 98 Ų | 98 | 131.7 Ų | 131.7 | 69% | 0.685 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | 24.5 | -166 | 57.3 | 0 | 0 | 0 | 0 | 116.1 | V196 | V196-S198 PolarHBondContact O-N 3.01Å; V196-S198 VanDerWaalsContact O-N 3.09Å |
| 199 | K | 28.1 | Very low | 25.5 | Very low | 173 Ų | 173 | 134 Ų | 134 | 75% | 0.752 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.1 | -0.3 | -171.4 | -69.8 | -177.9 | -179.9 | 165.4 | 0 | 116.8 | S197 | S197-K199 PolarHBondContact O-N 3.13Š|
| 200 | N | 29.8 | Very low | 25.4 | Very low | 144 Ų | 144 | 137.9 Ų | 137.9 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | | | trans | -141.4 | 35.8 | 175.7 | -91 | -34.2 | 0 | 0 | 0 | 113.8 | A202 | N200-A202 PolarHBondContact O-N 3.13Š|
| 201 | V | 28.3 | Very low | 25.4 | Very low | 125 Ų | 125 | 134.9 Ų | 134.9 | 76% | 0.758 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | 2.1 | -173.3 | -169.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 202 | A | 26.6 | Very low | 25.2 | Very low | 94 Ų | 94 | 130.3 Ų | 130.3 | 78% | 0.777 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -35.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | N200 | N200-A202 PolarHBondContact O-N 3.13Š|
| 203 | K | 27.8 | Very low | 25.3 | Very low | 189 Ų | 189 | 130.9 Ų | 130.9 | 82% | 0.822 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -157 | 98.5 | -174.1 | -66.5 | -172 | -179.1 | -179.6 | 0 | 112.6 | | |
| 204 | L | 26.5 | Very low | 25.2 | Very low | 172 Ų | 172 | 131.8 Ų | 131.8 | 90% | 0.901 | 75% | 0.753 | S | S | * | * | | | trans | 176.5 | 154.3 | 144.2 | -99.2 | 160.9 | 0 | 0 | 0 | 109.2 | | |
| 205 | S | 25.8 | Very low | 25.3 | Very low | 103 Ų | 103 | 131.5 Ų | 131.5 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | | | trans | -69.8 | 135.1 | 179.5 | 46.1 | 0 | 0 | 0 | 0 | 112.1 | V207 | S205-V207 PolarHBondContact O-N 3.41Š|
| 206 | S | 24.4 | Very low | 25.3 | Very low | 108 Ų | 108 | 130.9 Ų | 130.9 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | | | trans | -67.6 | 115.6 | 175.3 | 49.9 | 0 | 0 | 0 | 0 | 111.6 | C208 | S206-C208 PolarHBondContact O-N 3.3Š|
| 207 | V | 23.9 | Very low | 25.4 | Very low | 126 Ų | 126 | 132.7 Ų | 132.7 | 76% | 0.764 | 75% | 0.751 | S | S | * | * | | | trans | -84.2 | 104.1 | 170.4 | -179.1 | 0 | 0 | 0 | 0 | 108.8 | S205 I209 | S205-V207 PolarHBondContact O-N 3.41Å; V207-I209 HydrophobicContact CG1-CG1 4.3Å |
| 208 | C | 22.5 | Very low | 25.4 | Very low | 100 Ų | 100 | 135.8 Ų | 135.8 | 68% | 0.676 | 76% | 0.758 | S | S | * | * | | | trans | -87.9 | 110 | 171.6 | -68.9 | 0 | 0 | 0 | 0 | 109.6 | S206 H210 | S206-C208 PolarHBondContact O-N 3.3Å; C208-H210 PolarHBondContact O-N 3.09Å |
| 209 | I | 23.7 | Very low | 25.5 | Very low | 144 Ų | 144 | 137.1 Ų | 137.1 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | | | trans | -84.8 | 108.7 | 170.5 | -58.7 | 177.9 | 0 | 0 | 0 | 108 | V207 S211 | V207-I209 HydrophobicContact CG1-CG1 4.3Å; I209-S211 PolarHBondContact O-N 3.12Å |
| 210 | H | 23.1 | Very low | 25.3 | Very low | 175 Ų | 175 | 134 Ų | 134 | 81% | 0.81 | 75% | 0.753 | S | S | * | * | | | trans | -81.5 | 90.9 | 172 | -101.5 | -86.8 | 0 | 0 | 0 | 110.4 | C208 S212 | C208-H210 PolarHBondContact O-N 3.09Å; H210-S212 PolarHBondContact O-N 3.39Å |
| 211 | S | 24.7 | Very low | 25.1 | Very low | 95 Ų | 95 | 134.1 Ų | 134.1 | 66% | 0.664 | 75% | 0.752 | S | S | * | * | | | trans | -82.3 | 90.2 | 164.8 | 55.7 | 0 | 0 | 0 | 0 | 109.9 | I209 L213 | I209-S211 PolarHBondContact O-N 3.12Å; S211-L213 PolarHBondContact O-N 3.5Å |
| 212 | S | 21.7 | Very low | 24.9 | Very low | 102 Ų | 102 | 134.5 Ų | 134.5 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | | | trans | -73.1 | 103.5 | 166.5 | -175.5 | 0 | 0 | 0 | 0 | 108.7 | H210 | H210-S212 PolarHBondContact O-N 3.39Š|
| 213 | L | 25 | Very low | 24.9 | Very low | 147 Ų | 147 | 135.5 Ų | 135.5 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | | | trans | -98 | 91 | 173.2 | -157.4 | 157.8 | 0 | 0 | 0 | 108 | S211 S215 | S211-L213 PolarHBondContact O-N 3.5Å; L213-S215 PolarHBondContact O-N 3.25Å |
| 214 | M | 23.3 | Very low | 24.7 | Very low | 157 Ų | 157 | 130.9 Ų | 130.9 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | | | trans | -61.2 | 103.2 | 173.3 | -72.4 | -100.7 | 72.8 | 0 | 0 | 108.8 | Q216 | M214-Q216 VanDerWaalsContact C-N 3.27Å; M214-Q216 PolarHBondContact O-N 2.94Å |
| 215 | S | 25 | Very low | 24.8 | Very low | 101 Ų | 101 | 127.5 Ų | 127.5 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | | | trans | -69.1 | 88.9 | 166.9 | -65.7 | 0 | 0 | 0 | 0 | 109 | L213 K217 | L213-S215 PolarHBondContact O-N 3.25Å; S215-K217 PolarHBondContact O-N 3.26Å |
| 216 | Q | 25.6 | Very low | 24.8 | Very low | 182 Ų | 182 | 129.5 Ų | 129.5 | 85% | 0.85 | 74% | 0.744 | S | S | * | * | | | trans | -63 | 89.2 | 155.6 | -92.5 | -167.9 | -11.9 | 0 | 0 | 107.5 | M214 I218 | M214-Q216 VanDerWaalsContact C-N 3.27Å; M214-Q216 PolarHBondContact O-N 2.94Å; Q216-I218 PolarHBondContact O-N 3.31Å |
| 217 | K | 26.7 | Very low | 25 | Very low | 151 Ų | 151 | 131.1 Ų | 131.1 | 66% | 0.657 | 75% | 0.749 | S | S | * | * | | | trans | -71.7 | 98.8 | 178.6 | -169 | -169.1 | 178.6 | -164.9 | 0 | 106.7 | S215 Q219 | S215-K217 PolarHBondContact O-N 3.26Å; K217-Q219 HydrophobicContact CD-CG 3.99Å; K217-Q219 VanDerWaalsContact CD-OE1 3.32Å; K217-Q219 HydrophobicContact CG-CG 4.08Å; K217-Q219 PolarHBondContact O-N 3.01Å |
| 218 | I | 26.1 | Very low | 25.2 | Very low | 166 Ų | 166 | 129.5 Ų | 129.5 | 85% | 0.851 | 74% | 0.743 | S | S | * | * | | | trans | -68.1 | 77.2 | 173.5 | -54.9 | -180 | 0 | 0 | 0 | 108.2 | Q216 S220 | Q216-I218 PolarHBondContact O-N 3.31Å; I218-S220 VanDerWaalsContact C-N 3.32Å; I218-S220 PolarHBondContact O-N 2.88Å; I218-S220 VanDerWaalsContact O-N 3.13Å |
| 219 | Q | 27.4 | Very low | 25.5 | Very low | 126 Ų | 126 | 135.2 Ų | 135.2 | 59% | 0.589 | 75% | 0.752 | S | S | * | * | | | trans | -77.9 | 88.9 | 165.8 | -84.4 | -173.2 | -102.3 | 0 | 0 | 108.2 | K217 I221 | K217-Q219 HydrophobicContact CD-CG 3.99Å; K217-Q219 VanDerWaalsContact CD-OE1 3.32Å; K217-Q219 HydrophobicContact CG-CG 4.08Å; K217-Q219 PolarHBondContact O-N 3.01Å; Q219-I221 VanDerWaalsContact C-N 3.33Å; Q219-I221 PolarHBondContact O-N 2.75Å; Q219-I221 VanDerWaalsContact O-N 3.1Å |
| 220 | S | 22.9 | Very low | 25.7 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | | | trans | -59.6 | 106.1 | 141.2 | -179.7 | 0 | 0 | 0 | 0 | 107.5 | I218 | I218-S220 VanDerWaalsContact C-N 3.32Å; I218-S220 PolarHBondContact O-N 2.88Å; I218-S220 VanDerWaalsContact O-N 3.13Å |
| 221 | I | 26.9 | Very low | 26.1 | Very low | 146 Ų | 146 | 127.9 Ų | 127.9 | 75% | 0.749 | 74% | 0.742 | S | S | * | * | | | trans | -167.3 | 130.6 | 147.3 | -98.1 | 150.3 | 0 | 0 | 0 | 108.2 | Q219 | Q219-I221 VanDerWaalsContact C-N 3.33Å; Q219-I221 PolarHBondContact O-N 2.75Å; Q219-I221 VanDerWaalsContact O-N 3.1Å |
| 222 | V | 24.5 | Very low | 26.4 | Very low | 132 Ų | 132 | 128.7 Ų | 128.7 | 80% | 0.8 | 75% | 0.747 | S | S | * | * | | | trans | -63 | 128.6 | 177.3 | 177.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 223 | S | 26.1 | Very low | 26.8 | Very low | 115 Ų | 115 | 131 Ų | 131 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | | | trans | 160.8 | 137.5 | 136.9 | -71.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 224 | A | 23.5 | Very low | 27.2 | Very low | 92 Ų | 92 | 129.5 Ų | 129.5 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | | | trans | -96.6 | -174.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 225 | P | 28.7 | Very low | 27.6 | Very low | 101 Ų | 101 | 133.2 Ų | 133.2 | 66% | 0.656 | 76% | 0.756 | S | S | * | * | | | cis | -139.3 | -175.7 | 3.2 | 45.3 | -27.5 | 0 | 0 | 0 | 116.2 | | |
| 226 | D | 25 | Very low | 27.9 | Very low | 146 Ų | 146 | 136.9 Ų | 136.9 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | | | trans | 50.8 | 132.8 | 150.4 | -54.4 | -27.2 | 0 | 0 | 0 | 123 | | |
| 227 | V | 30 | Very low | 28.4 | Very low | 141 Ų | 141 | 133.3 Ų | 133.3 | 86% | 0.855 | 75% | 0.754 | S | S | * | * | | | | -176.9 | 133.9 | 102.4 | 154.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 228 | S | 27.7 | Very low | 28.8 | Very low | 92 Ų | 92 | 131.1 Ų | 131.1 | 64% | 0.643 | 76% | 0.758 | S | S | * | * | | | trans | -50.9 | 163.2 | -173.2 | 57.3 | 0 | 0 | 0 | 0 | 123.6 | | |
| 229 | Y | 28.1 | Very low | 29.1 | Very low | 221 Ų | 221 | 131.3 Ų | 131.3 | 87% | 0.867 | 76% | 0.76 | S | S | * | * | | | trans | 77.1 | 154.6 | 139.7 | -95.4 | -131.4 | 0 | 0 | 0 | 120.3 | | |
| 230 | C | 27.9 | Very low | 29.3 | Very low | 104 Ų | 104 | 131.1 Ų | 131.1 | 70% | 0.703 | 77% | 0.769 | S | S | * | * | | | cis | -172.2 | 166.1 | -26.5 | -168.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 231 | G | 30.9 | Very low | 29.8 | Very low | 61 Ų | 61 | 131.7 Ų | 131.7 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | | | trans | 116.8 | 116.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 232 | S | 30.6 | Very low | 30.2 | Very low | 112 Ų | 112 | 135.7 Ų | 135.7 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | | | cis | 73.6 | 130.8 | 38.2 | -40.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 233 | I | 31.7 | Very low | 30.6 | Very low | 151 Ų | 151 | 136.8 Ų | 136.8 | 77% | 0.774 | 78% | 0.776 | S | S | * | * | | | cis | -147.9 | 151.3 | 18.2 | -62.6 | 175.3 | 0 | 0 | 0 | 109.8 | | |
| 234 | P | 33.5 | Very low | 30.8 | Very low | 114 Ų | 114 | 135.9 Ų | 135.9 | 74% | 0.74 | 77% | 0.77 | S | S | * | * | | | trans | -94.7 | 168 | 176.8 | 38 | -36.8 | 0 | 0 | 0 | 115.8 | | |
| 235 | Y | 30.7 | Very low | 31.1 | Very low | 235 Ų | 235 | 142.5 Ų | 142.5 | 92% | 0.922 | 78% | 0.775 | S | S | * | * | | | trans | -141 | 151.8 | 166.9 | -103.3 | -92.4 | 0 | 0 | 0 | 111.7 | | |
| 236 | H | 31 | Very low | 31.2 | Very low | 178 Ų | 178 | 144.8 Ų | 144.8 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | | | trans | -137.6 | -169.1 | -169.5 | -142 | -28.8 | 0 | 0 | 0 | 111.9 | | |
| 237 | P | 36.3 | Very low | 31.3 | Very low | 107 Ų | 107 | 143.9 Ų | 143.9 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | | | | -109 | 170.3 | -118.8 | 41.3 | -29.1 | 0 | 0 | 0 | 117.3 | | |
| 238 | S | 35.1 | Very low | 31.2 | Very low | 106 Ų | 106 | 142.8 Ų | 142.8 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | | | trans | -161 | 118.2 | 153.1 | 59.2 | 0 | 0 | 0 | 0 | 116.5 | | |
| 239 | L | 32.2 | Very low | 31.2 | Very low | 169 Ų | 169 | 147 Ų | 147 | 89% | 0.885 | 79% | 0.789 | S | S | * | * | | | trans | 57.9 | 133 | 150.3 | -74.1 | 83.4 | 0 | 0 | 0 | 123.6 | | |
| 240 | P | 32.9 | Very low | 31 | Very low | 122 Ų | 122 | 142.2 Ų | 142.2 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | | | trans | -125.1 | 167.2 | 167.4 | 42.1 | -31.3 | 0 | 0 | 0 | 116.3 | | |
| 241 | P | 33.5 | Very low | 30.9 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | | | trans | -114.8 | 126.4 | 162.9 | 36.1 | -24.6 | 0 | 0 | 0 | 112.7 | | |
| 242 | R | 33.7 | Very low | 30.7 | Very low | 229 Ų | 229 | 145.5 Ų | 145.5 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | | | | 87.8 | 94 | 72.5 | -79.4 | -170.6 | 176.9 | -176.9 | 0.9 | 117.6 | | |
| 243 | I | 32.9 | Very low | 30.5 | Very low | 155 Ų | 155 | 144 Ų | 144 | 80% | 0.795 | 78% | 0.778 | S | S | * | * | | | | 56.4 | 121.4 | 126.4 | -54.4 | 155.7 | 0 | 0 | 0 | 120.2 | | |
| 244 | S | 31 | Very low | 30.4 | Very low | 96 Ų | 96 | 141.6 Ų | 141.6 | 67% | 0.671 | 77% | 0.771 | S | S | * | * | | | | 174.1 | 129.1 | 108.8 | 65.2 | 0 | 0 | 0 | 0 | 116.6 | | |
| 245 | R | 30.2 | Very low | 30 | Very low | 231 Ų | 231 | 144.1 Ų | 144.1 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | | | trans | 58.4 | 151.3 | 140.8 | -68.9 | 178.2 | -170.3 | 147.2 | 3.3 | 120 | | |
| 246 | D | 29.9 | Very low | 29.9 | Very low | 149 Ų | 149 | 136.7 Ų | 136.7 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | | | cis | -128.2 | 160.3 | 5.3 | -96.5 | -41.4 | 0 | 0 | 0 | 112.6 | | |
| 247 | V | 27.4 | Very low | 29.6 | Very low | 128 Ų | 128 | 132.4 Ų | 132.4 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | | | trans | -116.1 | 128.8 | 177.4 | 175.2 | 0 | 0 | 0 | 0 | 110.2 | Q249 | V247-Q249 HydrophobicContact CG1-CG 4.25Š|
| 248 | S | 27.9 | Very low | 29.1 | Very low | 117 Ų | 117 | 136.9 Ų | 136.9 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | | | trans | -112.5 | 128.9 | 156.9 | 65.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 249 | Q | 27.1 | Very low | 28.7 | Very low | 181 Ų | 181 | 137.3 Ų | 137.3 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | | | trans | -83.4 | 128.9 | -170 | -64.4 | 171.2 | -10.5 | 0 | 0 | 111 | V247 | V247-Q249 HydrophobicContact CG1-CG 4.25Š|
| 250 | V | 25.1 | Very low | 28.3 | Very low | 120 Ų | 120 | 133.9 Ų | 133.9 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | | | trans | -119.4 | 116.6 | 156.1 | -178.2 | 0 | 0 | 0 | 0 | 106.7 | | |
| 251 | P | 25 | Very low | 28 | Very low | 88 Ų | 88 | 137 Ų | 137 | 57% | 0.571 | 75% | 0.748 | S | S | * | * | | | trans | -65.8 | 147.2 | -179.3 | 26.5 | -33.8 | 0 | 0 | 0 | 111 | S253 | P251-S253 PolarHBondContact O-N 3.37Š|
| 252 | V | 26.4 | Very low | 27.6 | Very low | 146 Ų | 146 | 137 Ų | 137 | 89% | 0.885 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -76.8 | 65.2 | 174.8 | -171.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 253 | S | 27.2 | Very low | 27.2 | Very low | 80 Ų | 80 | 132 Ų | 132 | 56% | 0.559 | 74% | 0.736 | S | S | * | * | | | trans | -127.8 | 15.6 | -179.9 | 62.3 | 0 | 0 | 0 | 0 | 112.5 | P251 | P251-S253 PolarHBondContact O-N 3.37Š|
| 254 | T | 28.9 | Very low | 26.8 | Very low | 101 Ų | 101 | 132.9 Ų | 132.9 | 62% | 0.62 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -121.6 | 1 | -172.2 | -40.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 255 | L | 26.2 | Very low | 26.6 | Very low | 168 Ų | 168 | 135.6 Ų | 135.6 | 88% | 0.88 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -103.9 | -2.3 | 170 | -85.2 | 164.4 | 0 | 0 | 0 | 113.4 | | |
| 256 | A | 27.4 | Very low | 26.3 | Very low | 79 Ų | 79 | 133.7 Ų | 133.7 | 65% | 0.653 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -96.4 | 14.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 257 | S | 24.9 | Very low | 26.1 | Very low | 87 Ų | 87 | 134.7 Ų | 134.7 | 61% | 0.608 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -113.2 | 11.1 | -170.2 | 72.1 | 0 | 0 | 0 | 0 | 115.8 | | |
| 258 | F | 25.6 | Very low | 26 | Very low | 202 Ų | 202 | 133.3 Ų | 133.3 | 89% | 0.886 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -105.8 | -0.3 | 171.8 | -95.6 | -75.5 | 0 | 0 | 0 | 114.5 | | |
| 259 | V | 28 | Very low | 25.8 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 70% | 0.697 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -133.5 | 99.6 | 166.3 | -177.9 | 0 | 0 | 0 | 0 | 105.6 | | |
| 260 | N | 23 | Very low | 25.8 | Very low | 96 Ų | 96 | 131.2 Ų | 131.2 | 51% | 0.513 | 73% | 0.731 | S | S | . | * | | | trans | 169.9 | 19.8 | 149.8 | -81.6 | -8.7 | 0 | 0 | 0 | 118.5 | R732 | N260-R732 PolarHBondContact O-NH2 3.44Å; N260-R732 PolarHBondContact OD1-NH1 2.94Å; N260-R732 PolarHBondContact OD1-NH2 2.87Å |
| 261 | E | 26.3 | Very low | 25.9 | Very low | 189 Ų | 189 | 131.7 Ų | 131.7 | 88% | 0.883 | 73% | 0.73 | S | S | * | * | | | trans | -127 | 142.7 | 166.2 | -77.8 | -170.8 | 144.6 | 0 | 0 | 109.9 | | |
| 262 | T | 26.3 | Very low | 26.1 | Very low | 119 Ų | 119 | 134.3 Ų | 134.3 | 73% | 0.73 | 74% | 0.738 | S | S | * | * | | | cis | -139.3 | 131.6 | -23.4 | 39.3 | 0 | 0 | 0 | 0 | 106.7 | | |
| 263 | N | 24.4 | Very low | 26.2 | Very low | 124 Ų | 124 | 130.1 Ų | 130.1 | 66% | 0.663 | 72% | 0.718 | S | S | * | * | | | | 40 | 120 | 94.8 | -82.9 | 9 | 0 | 0 | 0 | 116.6 | | |
| 264 | H | 24.5 | Very low | 26.3 | Very low | 175 Ų | 175 | 134.8 Ų | 134.8 | 81% | 0.81 | 74% | 0.737 | S | S | * | * | | | trans | 55.8 | 120.3 | 165.8 | -52.4 | -72.7 | 0 | 0 | 0 | 119.7 | | |
| 265 | L | 26.4 | Very low | 26.4 | Very low | 152 Ų | 152 | 137.1 Ų | 137.1 | 80% | 0.796 | 75% | 0.745 | S | S | * | * | | | trans | -165.4 | 96.6 | 135 | -110.7 | 168.4 | 0 | 0 | 0 | 109.4 | E267 | L265-E267 HydrophobicContact CD2-CB 4.17Š|
| 266 | E | 24.4 | Very low | 26.7 | Very low | 192 Ų | 192 | 135.6 Ų | 135.6 | 90% | 0.897 | 73% | 0.731 | S | S | * | * | | | trans | -91.7 | 115.5 | 151.8 | -67 | -179.6 | 149.3 | 0 | 0 | 106.2 | | |
| 267 | E | 26.1 | Very low | 26.9 | Very low | 170 Ų | 170 | 137.2 Ų | 137.2 | 79% | 0.794 | 73% | 0.729 | S | S | * | * | | | trans | -174.1 | 126.9 | 163.8 | -103.8 | 159.7 | -165.9 | 0 | 0 | 106.2 | L265 | L265-E267 HydrophobicContact CD2-CB 4.17Š|
| 268 | S | 24.7 | Very low | 27.2 | Very low | 98 Ų | 98 | 137.1 Ų | 137.1 | 69% | 0.685 | 73% | 0.733 | S | S | * | * | | | | 80.1 | 102.9 | 65 | -171.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 269 | C | 24.6 | Very low | 27.5 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 73% | 0.73 | 71% | 0.71 | S | S | * | * | | | trans | 65.2 | 133.2 | 149.4 | -59.1 | 0 | 0 | 0 | 0 | 121.5 | | |
| 270 | L | 25.8 | Very low | 27.5 | Very low | 147 Ų | 147 | 132.8 Ų | 132.8 | 77% | 0.77 | 72% | 0.719 | S | S | * | * | | | trans | 57.4 | 100.4 | 143.6 | -64.6 | 165.8 | 0 | 0 | 0 | 119.4 | I272 | L270-I272 VanDerWaalsContact C-N 3.31Å; L270-I272 HydrophobicContact CB-CG1 4.45Å; L270-I272 PolarHBondContact O-N 3.24Å |
| 271 | D | 27.8 | Very low | 28 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 69% | 0.69 | 73% | 0.731 | S | S | * | * | | | trans | -67.9 | 83.2 | 157.9 | -75.7 | -52.4 | 0 | 0 | 0 | 111.3 | R309 | D271-R309 IonicContact OD2-CZ 2.71Å; D271-R309 IonicContact OD2-NH1 2.71Å; D271-R309 PolarHBondContact OD2-NH1 2.84Å; D271-R309 IonicContact OD2-NH2 2.68Å; D271-R309 PolarHBondContact OD2-NH2 3.15Å |
| 272 | I | 28.7 | Very low | 28.1 | Very low | 144 Ų | 144 | 134.7 Ų | 134.7 | 74% | 0.738 | 73% | 0.726 | S | S | * | * | | | trans | -73.5 | 135.9 | 163.1 | -63.9 | 180 | 0 | 0 | 0 | 108.5 | L270 N274 | L270-I272 VanDerWaalsContact C-N 3.31Å; L270-I272 HydrophobicContact CB-CG1 4.45Å; L270-I272 PolarHBondContact O-N 3.24Å; I272-N274 PolarHBondContact O-N 3.17Å |
| 273 | A | 28.7 | Very low | 28.1 | Very low | 58 Ų | 58 | 134.9 Ų | 134.9 | 48% | 0.479 | 73% | 0.727 | S | S | . | * | | | trans | -70.5 | 126 | -173 | 0 | 0 | 0 | 0 | 0 | 112.6 | L275 | A273-L275 PolarHBondContact O-N 3.22Š|
| 274 | N | 30.4 | Very low | 28.4 | Very low | 177 Ų | 177 | 138.1 Ų | 138.1 | 95% | 0.947 | 74% | 0.738 | S | S | * | * | | | trans | -64.9 | 101.9 | 169.6 | -86.8 | -41.4 | 0 | 0 | 0 | 110.5 | I272 | I272-N274 PolarHBondContact O-N 3.17Š|
| 275 | L | 30.5 | Very low | 28.6 | Very low | 150 Ų | 150 | 138.7 Ų | 138.7 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | | | trans | -139.4 | 70.4 | -174.2 | -147.8 | 176.2 | 0 | 0 | 0 | 111.4 | A273 | A273-L275 PolarHBondContact O-N 3.22Š|
| 276 | K | 31.6 | Very low | 28.7 | Very low | 136 Ų | 136 | 140.6 Ų | 140.6 | 59% | 0.591 | 75% | 0.745 | S | S | * | * | | | trans | -166 | 98.5 | 161.7 | -114.6 | 157.1 | 170.8 | -156.3 | 0 | 113.1 | E532 | K276-E532 HydrophobicContact CB-CG 4.18Å; K276-E532 HydrophobicContact CD-CG 3.93Å; K276-E532 WeakPolarHBondContact CD-OE1 3.12Å; K276-E532 WeakPolarHBondContact CD-OE2 3.44Å; K276-E532 WeakPolarHBondContact CE-OE1 3.2Å; K276-E532 WeakPolarHBondContact CE-OE2 3.31Å; K276-E532 HydrophobicContact CG-CG 4.09Å; K276-E532 IonicContact NZ-OE1 2.68Å; K276-E532 PolarHBondContact NZ-OE1 3.02Å; K276-E532 IonicContact NZ-OE2 2.98Å; K276-E532 PolarHBondContact NZ-OE2 3.06Å |
| 277 | N | 31.5 | Very low | 28.8 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 61% | 0.61 | 75% | 0.746 | S | S | * | * | | | trans | -166 | 61.3 | 149 | -107.1 | -14.4 | 0 | 0 | 0 | 111.7 | T533 S534 | N277-T533 VanDerWaalsContact OD1-C 3.23Å; N277-T533 PolarHBondContact OD1-O 3.49Å; N277-S534 VanDerWaalsContact C-CB 3.41Å; N277-S534 WeakPolarHBondContact OD1-CB 3.46Å |
| 278 | A | 32.3 | Very low | 29.2 | Very low | 85 Ų | 85 | 137.7 Ų | 137.7 | 70% | 0.702 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -141.6 | 136.2 | 159.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | S534 | A278-S534 VanDerWaalsContact C-OG 3.25Å; A278-S534 VanDerWaalsContact CA-OG 3.29Å; A278-S534 WeakPolarHBondContact CA-OG 3.44Å; A278-S534 PolarHBondContact N-OG 3.39Å |
| 279 | P | 30.9 | Very low | 29.5 | Very low | 60 Ų | 60 | 138.1 Ų | 138.1 | 39% | 0.39 | 75% | 0.747 | S | S | . | * | | | trans | -89.9 | 151.5 | -174.5 | 32.2 | -30.3 | 0 | 0 | 0 | 113.1 | K281 S534 V536 | P279-K281 PolarHBondContact O-N 3.09Å; P279-S534 WeakPolarHBondContact CD-OG 3.36Å; P279-V536 HydrophobicContact CG-CB 4.48Å; P279-V536 HydrophobicContact CG-CG2 3.74Å; P279-V536 VanDerWaalsContact CG-N 3.26Å |
| 280 | N | 29.5 | Very low | 30 | Very low | 166 Ų | 166 | 138.1 Ų | 138.1 | 89% | 0.888 | 75% | 0.746 | S | S | * | * | | | trans | -61 | 129.8 | -172.7 | -80.6 | -35.1 | 0 | 0 | 0 | 114.7 | | |
| 281 | K | 32.7 | Very low | 30.7 | Very low | 176 Ų | 176 | 134.7 Ų | 134.7 | 77% | 0.765 | 73% | 0.732 | S | S | * | * | | | trans | -148 | 88.1 | 146.4 | -122 | -176 | -177.6 | -170.7 | 0 | 113.1 | P279 | P279-K281 PolarHBondContact O-N 3.09Š|
| 282 | L | 28.6 | Very low | 32 | Very low | 149 Ų | 149 | 136.3 Ų | 136.3 | 78% | 0.78 | 73% | 0.733 | S | S | * | * | | | trans | 37 | 113.1 | 147.1 | -81.5 | 157 | 0 | 0 | 0 | 120.1 | | |
| 283 | T | 26.6 | Very low | 33.4 | Very low | 123 Ų | 123 | 132.1 Ų | 132.1 | 76% | 0.755 | 71% | 0.712 | S | S | * | * | | | trans | 54.9 | 100.1 | 142.6 | 48.8 | 0 | 0 | 0 | 0 | 119.2 | | |
| 284 | Q | 30.3 | Very low | 35.7 | Very low | 192 Ų | 192 | 133.5 Ų | 133.5 | 90% | 0.897 | 71% | 0.711 | S | S | * | * | | | | -139.8 | 165.3 | 129.3 | -111.7 | 167.5 | 32 | 0 | 0 | 110.3 | | |
| 285 | Q | 29 | Very low | 38.2 | Very low | 186 Ų | 186 | 127 Ų | 127 | 87% | 0.869 | 67% | 0.674 | S | S | * | * | | | trans | -60.3 | 159.9 | -152.7 | -69.9 | 158.2 | -56.9 | 0 | 0 | 117.3 | E287 | Q285-E287 PolarHBondContact O-N 2.86Š|
| 286 | H | 27 | Very low | 40.8 | Very low | 192 Ų | 192 | 124.5 Ų | 124.5 | 89% | 0.889 | 66% | 0.659 | S | S | * | * | | | trans | -40.9 | 119.8 | 167.1 | -94 | -125.7 | 0 | 0 | 0 | 113.8 | | |
| 287 | E | 28 | Very low | 43.5 | Very low | 193 Ų | 193 | 118.4 Ų | 118.4 | 90% | 0.902 | 63% | 0.633 | S | S | * | * | | | trans | -125.3 | 124.1 | 136.1 | -79.8 | -164.7 | 128.7 | 0 | 0 | 108 | Q285 S289 | Q285-E287 PolarHBondContact O-N 2.86Å; E287-S289 PolarHBondContact O-N 3.01Å |
| 288 | S | 33 | Very low | 45.9 | Very low | 109 Ų | 109 | 118.7 Ų | 118.7 | 76% | 0.762 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 116.8 | 175.4 | 51 | 0 | 0 | 0 | 0 | 109.4 | | |
| 289 | S | 32.2 | Very low | 48.2 | Very low | 106 Ų | 106 | 120 Ų | 120 | 74% | 0.741 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 129.2 | 171.4 | 57.9 | 0 | 0 | 0 | 0 | 109.7 | E287 | E287-S289 PolarHBondContact O-N 3.01Š|
| 290 | P | 34.8 | Very low | 50.9 | Low | 109 Ų | 109 | 119.6 Ų | 119.6 | 71% | 0.708 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 148.8 | -174 | 23.7 | -34.1 | 0 | 0 | 0 | 111.3 | K292 | P290-K292 PolarHBondContact O-N 3.07Š|
| 291 | P | 41.1 | Very low | 53.5 | Low | 75 Ų | 75 | 119 Ų | 119 | 49% | 0.487 | 62% | 0.622 | S | S | . | * | P | Polyproline II helix | trans | -56.1 | 132.1 | 178 | 24.2 | -33.6 | 0 | 0 | 0 | 109.6 | N293 P336 | P291-N293 PolarHBondContact O-N 2.93Å; P291-P336 HydrophobicContact CB-CG 3.88Å; P291-P336 HydrophobicContact CG-CG 4.03Å |
| 292 | K | 54.3 | Low | 56 | Low | 163 Ų | 163 | 114 Ų | 114 | 71% | 0.709 | 60% | 0.6 | S | S | * | * | | | trans | -64.3 | 111.5 | 179.4 | -66.7 | 177.3 | -178.5 | 174.8 | 0 | 108.5 | P290 L294 | P290-K292 PolarHBondContact O-N 3.07Å; K292-L294 PolarHBondContact O-N 2.94Å; K292-L294 VanDerWaalsContact O-N 3.09Å |
| 293 | N | 57.8 | Low | 58.8 | Low | 56 Ų | 56 | 109.7 Ų | 109.7 | 30% | 0.299 | 58% | 0.58 | S | S | . | * | | | trans | -49.2 | 116.8 | 177.2 | -76.9 | -16.7 | 0 | 0 | 0 | 110.6 | P291 F295 Q333 | P291-N293 PolarHBondContact O-N 2.93Å; N293-F295 HydrophobicContact CB-CE2 4.27Å; N293-F295 HydrophobicContact CB-CZ 4.46Å; N293-Q333 PolarHBondContact ND2-NE2 3.2Å; N293-Q333 PolarHBondContact OD1-NE2 3.03Å; N293-Q333 VanDerWaalsContact OD1-NE2 3.12Å |
| 294 | L | 78.1 | Confident | 61.7 | Low | 87 Ų | 87 | 104 Ų | 104 | 46% | 0.455 | 55% | 0.547 | S | S | . | . | | | trans | -102 | 104.6 | 176.4 | -83.7 | 160 | 0 | 0 | 0 | 108.5 | K292 H296 | K292-L294 PolarHBondContact O-N 2.94Å; K292-L294 VanDerWaalsContact O-N 3.09Å; L294-H296 PolarHBondContact O-CE1 2.81Å; L294-H296 PolarHBondContact O-ND1 3.41Å |
| 295 | F | 81.8 | Confident | 64.1 | Low | 40 Ų | 40 | 98.3 Ų | 98.3 | 18% | 0.175 | 53% | 0.527 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 126.9 | 172.1 | -56 | -91.2 | 0 | 0 | 0 | 108.2 | N293 T303 A304 L310 C331 | N293-F295 HydrophobicContact CB-CE2 4.27Å; N293-F295 HydrophobicContact CB-CZ 4.46Å; F295-T303 CarbonylContact O-C 3.53Å; F295-T303 VanDerWaalsContact O-CA 3.31Å; F295-T303 WeakPolarHBondContact O-CA 3.43Å; F295-A304 WeakPolarHBondContact CD2-O 3.48Å; F295-A304 PolarHBondContact N-O 2.95Å; F295-A304 PolarHBondContact O-N 2.84Å; F295-L310 HydrophobicContact CB-CB 4.27Å; F295-L310 HydrophobicContact CB-CD2 3.71Å; F295-C331 HydrophobicContact CD1-CB 4.41Å; F295-C331 HydrophobicContact CE1-CB 4.28Å |
| 296 | H | 85.7 | Confident | 66.5 | Low | 98 Ų | 98 | 92.6 Ų | 92.6 | 45% | 0.454 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 156.8 | -178.3 | -69.9 | 58.6 | 0 | 0 | 0 | 110.4 | L294 T303 L310 | L294-H296 PolarHBondContact O-CE1 2.81Å; L294-H296 PolarHBondContact O-ND1 3.41Å; H296-T303 HydrophobicContact CB-CG2 4.38Å; H296-T303 WeakPolarHBondContact CD2-CG2 3.35Å; H296-L310 WeakPolarHBondContact O-CD2 3.44Å |
| 297 | C | 88.9 | Confident | 69.1 | Low | 8 Ų | 8 | 85.2 Ų | 85.2 | 5% | 0.054 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 117.9 | 175 | -176.2 | 0 | 0 | 0 | 0 | 110.5 | Y299 C300 F302 L310 H318 | C297-Y299 PolarHBondContact O-N 2.93Å; C297-Y299 VanDerWaalsContact O-N 3.1Å; C297-C300 PolarHBondContact O-N 3.03Å; C297-F302 HydrophobicContact CB-CB 4.09Å; C297-F302 HydrophobicContact CB-CD1 4.41Å; C297-F302 WeakPolarHBondContact CB-O 3.13Å; C297-F302 PolarHBondContact N-O 2.69Å; C297-L310 HydrophobicContact CB-CD1 3.66Å; C297-H318 PolarHBondContact SG-CD2 3.27Å; C297-H318 PolarHBondContact SG-NE2 3.14Å |
| 298 | D | 81.5 | Confident | 71.6 | Confident | 119 Ų | 119 | 80.8 Ų | 80.8 | 64% | 0.636 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -26.6 | -175.5 | -50.4 | -58.3 | 0 | 0 | 0 | 112.9 | | |
| 299 | Y | 81.3 | Confident | 73.9 | Confident | 114 Ų | 114 | 81 Ų | 81 | 45% | 0.447 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -13.9 | -179 | -51.1 | -76.7 | 0 | 0 | 0 | 115.5 | C297 I314 H318 | C297-Y299 PolarHBondContact O-N 2.93Å; C297-Y299 VanDerWaalsContact O-N 3.1Å; Y299-I314 HydrophobicContact CE2-CG2 4.25Å; Y299-H318 HydrophobicContact CD2-CB 3.83Å; Y299-H318 AromaticContact CD2-CD2 3.77Å; Y299-H318 AromaticContact CD2-CG 3.81Å; Y299-H318 HydrophobicContact CE2-CB 4.38Å; Y299-H318 HydrophobicContact CG-CB 4.01Å; Y299-H318 AromaticContact CG-CG 3.84Å |
| 300 | C | 86.1 | Confident | 76.5 | Confident | 50 Ų | 50 | 76.3 Ų | 76.3 | 34% | 0.338 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.5 | 172.4 | 179.2 | 73.6 | 0 | 0 | 0 | 0 | 113.9 | C297 F302 H313 H318 | C297-C300 PolarHBondContact O-N 3.03Å; C300-F302 PolarHBondContact O-N 2.79Å; C300-H313 PolarHBondContact SG-NE2 3.03Å; C300-H318 PolarHBondContact SG-NE2 2.67Å; C300-H318 VanDerWaalsContact SG-NE2 3.36Å |
| 301 | T | 84.8 | Confident | 78.8 | Confident | 153 Ų | 153 | 72.8 Ų | 72.8 | 94% | 0.939 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 16.3 | -178.2 | 56 | 0 | 0 | 0 | 0 | 116.8 | | |
| 302 | F | 84.8 | Confident | 80.8 | Confident | 71 Ų | 71 | 76.7 Ų | 76.7 | 31% | 0.311 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 139 | 179.6 | -179.2 | -97.1 | 0 | 0 | 0 | 111.7 | C297 C300 A304 L310 H313 | C297-F302 HydrophobicContact CB-CB 4.09Å; C297-F302 HydrophobicContact CB-CD1 4.41Å; C297-F302 WeakPolarHBondContact CB-O 3.13Å; C297-F302 PolarHBondContact N-O 2.69Å; C300-F302 PolarHBondContact O-N 2.79Å; F302-A304 HydrophobicContact CE1-CB 3.92Å; F302-A304 HydrophobicContact CZ-CB 4.38Å; F302-L310 HydrophobicContact CD1-CD1 4.34Å; F302-H313 WeakPolarHBondContact CB-CE1 3.37Å; F302-H313 HydrophobicContact CD1-CB 3.63Å; F302-H313 AromaticContact CD1-CD2 3.63Å; F302-H313 AromaticContact CD1-CE1 3.89Å; F302-H313 AromaticContact CD1-CG 3.27Å; F302-H313 AromaticContact CD1-ND1 3.45Å; F302-H313 WeakPolarHBondContact CD1-ND1 3.37Å; F302-H313 AromaticContact CD2-CE1 3.79Å; F302-H313 AromaticContact CD2-ND1 3.48Å; F302-H313 WeakPolarHBondContact CD2-ND1 3.41Å; F302-H313 HydrophobicContact CE1-CB 3.36Å; F302-H313 AromaticContact CE1-CG 3.53Å; F302-H313 AromaticContact CE1-ND1 3.79Å; F302-H313 AromaticContact CE2-ND1 3.82Å; F302-H313 HydrophobicContact CG-CB 4.38Å; F302-H313 AromaticContact CG-CD2 3.92Å; F302-H313 AromaticContact CG-CE1 3.41Å; F302-H313 VanDerWaalsContact CG-CE1 3.41Å; F302-H313 WeakPolarHBondContact CG-CE1 3.18Å; F302-H313 AromaticContact CG-CG 3.62Å; F302-H313 AromaticContact CG-ND1 3.28Å; F302-H313 VanDerWaalsContact CG-ND1 3.28Å; F302-H313 WeakPolarHBondContact CG-ND1 3.4Å; F302-H313 AromaticContact CG-NE2 3.81Å; F302-H313 HydrophobicContact CZ-CB 3.93Å; F302-H313 AromaticContact CZ-ND1 3.96Å |
| 303 | T | 86.5 | Confident | 82.4 | Confident | 59 Ų | 59 | 70.1 Ų | 70.1 | 36% | 0.362 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 151.8 | 174.6 | 64 | 0 | 0 | 0 | 0 | 111.1 | F295 H296 | F295-T303 CarbonylContact O-C 3.53Å; F295-T303 VanDerWaalsContact O-CA 3.31Å; F295-T303 WeakPolarHBondContact O-CA 3.43Å; H296-T303 HydrophobicContact CB-CG2 4.38Å; H296-T303 WeakPolarHBondContact CD2-CG2 3.35Å |
| 304 | A | 88.2 | Confident | 83.6 | Confident | 5 Ų | 5 | 68.1 Ų | 68.1 | 4% | 0.041 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 142 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F295 F302 N306 R309 L310 | F295-A304 WeakPolarHBondContact CD2-O 3.48Å; F295-A304 PolarHBondContact N-O 2.95Å; F295-A304 PolarHBondContact O-N 2.84Å; F302-A304 HydrophobicContact CE1-CB 3.92Å; F302-A304 HydrophobicContact CZ-CB 4.38Å; A304-N306 PolarHBondContact O-N 2.84Å; A304-R309 HydrophobicContact CB-CB 3.71Å; A304-L310 HydrophobicContact CB-CB 4.16Å |
| 305 | S | 80.1 | Confident | 83.8 | Confident | 71 Ų | 71 | 68.6 Ų | 68.6 | 50% | 0.497 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -80.6 | 9.4 | 175.5 | 67 | 0 | 0 | 0 | 0 | 114.4 | | |
| 306 | N | 81.1 | Confident | 83.7 | Confident | 67 Ų | 67 | 70.7 Ų | 70.7 | 36% | 0.358 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -160.2 | 137.1 | 178.9 | 179.3 | 2.9 | 0 | 0 | 0 | 109.1 | A304 D308 R309 L310 | A304-N306 PolarHBondContact O-N 2.84Å; N306-D308 PolarHBondContact ND2-OD2 3.13Å; N306-D308 PolarHBondContact O-N 3.27Å; N306-D308 PolarHBondContact OD1-N 2.89Å; N306-D308 PolarHBondContact OD1-OD2 3.19Å; N306-R309 PolarHBondContact O-N 2.88Å; N306-L310 PolarHBondContact O-N 2.75Å |
| 307 | C | 81.4 | Confident | 83.4 | Confident | 37 Ų | 37 | 74.5 Ų | 74.5 | 25% | 0.25 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -52 | -37.8 | 171.9 | -177.8 | 0 | 0 | 0 | 0 | 112.6 | R309 L310 S311 | C307-R309 PolarHBondContact O-N 3.21Å; C307-L310 PolarHBondContact O-N 3.42Å; C307-S311 WeakPolarHBondContact O-CB 3.39Å; C307-S311 PolarHBondContact O-N 3.43Å |
| 308 | D | 80.1 | Confident | 83 | Confident | 100 Ų | 100 | 75.3 Ų | 75.3 | 54% | 0.535 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -58.2 | -26.3 | 176.5 | -61.3 | -44.7 | 0 | 0 | 0 | 113.5 | N306 R312 | N306-D308 PolarHBondContact ND2-OD2 3.13Å; N306-D308 PolarHBondContact O-N 3.27Å; N306-D308 PolarHBondContact OD1-N 2.89Å; N306-D308 PolarHBondContact OD1-OD2 3.19Å; D308-R312 PolarHBondContact O-NE 3.17Å; D308-R312 PolarHBondContact O-NH2 2.84Å |
| 309 | R | 81.8 | Confident | 82.2 | Confident | 114 Ų | 114 | 73.5 Ų | 73.5 | 43% | 0.43 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -87.2 | -36.3 | 175.3 | -93.3 | -176.8 | 167.7 | 175.6 | -5 | 111.5 | D271 A304 N306 C307 H313 | D271-R309 IonicContact OD2-CZ 2.71Å; D271-R309 IonicContact OD2-NH1 2.71Å; D271-R309 PolarHBondContact OD2-NH1 2.84Å; D271-R309 IonicContact OD2-NH2 2.68Å; D271-R309 PolarHBondContact OD2-NH2 3.15Å; A304-R309 HydrophobicContact CB-CB 3.71Å; N306-R309 PolarHBondContact O-N 2.88Å; C307-R309 PolarHBondContact O-N 3.21Å; R309-H313 WeakPolarHBondContact O-CB 3.43Å; R309-H313 PolarHBondContact O-N 3.21Å |
| 310 | L | 87 | Confident | 80.7 | Confident | 7 Ų | 7 | 73.1 Ų | 73.1 | 4% | 0.037 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65.5 | -51 | 174 | 178.3 | 60.6 | 0 | 0 | 0 | 111.7 | F295 H296 C297 F302 A304 N306 C307 R312 H313 I314 | F295-L310 HydrophobicContact CB-CB 4.27Å; F295-L310 HydrophobicContact CB-CD2 3.71Å; H296-L310 WeakPolarHBondContact O-CD2 3.44Å; C297-L310 HydrophobicContact CB-CD1 3.66Å; F302-L310 HydrophobicContact CD1-CD1 4.34Å; A304-L310 HydrophobicContact CB-CB 4.16Å; N306-L310 PolarHBondContact O-N 2.75Å; C307-L310 PolarHBondContact O-N 3.42Å; L310-R312 VanDerWaalsContact C-N 3.35Å; L310-R312 PolarHBondContact O-N 2.97Å; L310-H313 WeakPolarHBondContact O-CA 3.26Å; L310-H313 WeakPolarHBondContact O-CB 3.39Å; L310-H313 PolarHBondContact O-N 3.41Å; L310-I314 HydrophobicContact CD1-CD1 3.9Å; L310-I314 HydrophobicContact CD1-CG1 4.09Å; L310-I314 HydrophobicContact CD2-CD1 4.39Å; L310-I314 HydrophobicContact CG-CD1 3.81Å; L310-I314 HydrophobicContact CG-CG1 4.4Å; L310-I314 WeakPolarHBondContact O-CG1 3.49Å; L310-I314 PolarHBondContact O-N 2.89Å |
| 311 | S | 81.5 | Confident | 78.8 | Confident | 35 Ų | 35 | 75.4 Ų | 75.4 | 25% | 0.245 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -57.3 | -46.4 | 177.4 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | C307 H313 I314 N315 | C307-S311 WeakPolarHBondContact O-CB 3.39Å; C307-S311 PolarHBondContact O-N 3.43Å; S311-H313 VanDerWaalsContact C-N 3.27Å; S311-H313 PolarHBondContact O-N 3.16Å; S311-I314 PolarHBondContact O-N 3.19Å; S311-N315 VanDerWaalsContact O-CB 3.24Å; S311-N315 WeakPolarHBondContact O-CB 3.49Å; S311-N315 PolarHBondContact O-N 2.89Å; S311-N315 PolarHBondContact O-OD1 2.87Å |
| 312 | R | 84.1 | Confident | 76.9 | Confident | 156 Ų | 156 | 71 Ų | 71 | 59% | 0.589 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -61.9 | -32.2 | 174.1 | -83.5 | -178.6 | -69.6 | 167.6 | -5.9 | 113.7 | D308 L310 S316 | D308-R312 PolarHBondContact O-NE 3.17Å; D308-R312 PolarHBondContact O-NH2 2.84Å; L310-R312 VanDerWaalsContact C-N 3.35Å; L310-R312 PolarHBondContact O-N 2.97Å; R312-S316 WeakPolarHBondContact O-CB 3.37Å; R312-S316 PolarHBondContact O-N 2.85Å; R312-S316 PolarHBondContact O-OG 3.43Å |
| 313 | H | 87.4 | Confident | 74.7 | Confident | 26 Ų | 26 | 76 Ų | 76 | 12% | 0.12 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -67.2 | -52 | 173 | 174.4 | 93.7 | 0 | 0 | 0 | 111.1 | C300 F302 R309 L310 S311 N315 S316 R317 H318 | C300-H313 PolarHBondContact SG-NE2 3.03Å; F302-H313 WeakPolarHBondContact CB-CE1 3.37Å; F302-H313 HydrophobicContact CD1-CB 3.63Å; F302-H313 AromaticContact CD1-CD2 3.63Å; F302-H313 AromaticContact CD1-CE1 3.89Å; F302-H313 AromaticContact CD1-CG 3.27Å; F302-H313 AromaticContact CD1-ND1 3.45Å; F302-H313 WeakPolarHBondContact CD1-ND1 3.37Å; F302-H313 AromaticContact CD2-CE1 3.79Å; F302-H313 AromaticContact CD2-ND1 3.48Å; F302-H313 WeakPolarHBondContact CD2-ND1 3.41Å; F302-H313 HydrophobicContact CE1-CB 3.36Å; F302-H313 AromaticContact CE1-CG 3.53Å; F302-H313 AromaticContact CE1-ND1 3.79Å; F302-H313 AromaticContact CE2-ND1 3.82Å; F302-H313 HydrophobicContact CG-CB 4.38Å; F302-H313 AromaticContact CG-CD2 3.92Å; F302-H313 AromaticContact CG-CE1 3.41Å; F302-H313 VanDerWaalsContact CG-CE1 3.41Å; F302-H313 WeakPolarHBondContact CG-CE1 3.18Å; F302-H313 AromaticContact CG-CG 3.62Å; F302-H313 AromaticContact CG-ND1 3.28Å; F302-H313 VanDerWaalsContact CG-ND1 3.28Å; F302-H313 WeakPolarHBondContact CG-ND1 3.4Å; F302-H313 AromaticContact CG-NE2 3.81Å; F302-H313 HydrophobicContact CZ-CB 3.93Å; F302-H313 AromaticContact CZ-ND1 3.96Å; R309-H313 WeakPolarHBondContact O-CB 3.43Å; R309-H313 PolarHBondContact O-N 3.21Å; L310-H313 WeakPolarHBondContact O-CA 3.26Å; L310-H313 WeakPolarHBondContact O-CB 3.39Å; L310-H313 PolarHBondContact O-N 3.41Å; S311-H313 VanDerWaalsContact C-N 3.27Å; S311-H313 PolarHBondContact O-N 3.16Å; H313-N315 VanDerWaalsContact C-N 3.32Å; H313-N315 PolarHBondContact O-N 2.91Å; H313-S316 CarbonylContact O-C 3.59Å; H313-S316 PolarHBondContact O-N 3.35Å; H313-S316 PolarHBondContact O-OG 3.33Å; H313-S316 VanDerWaalsContact O-OG 3.14Å; H313-R317 WeakPolarHBondContact O-CB 3.45Å; H313-R317 PolarHBondContact O-N 2.79Å; H313-H318 AromaticContact CD2-CD2 3.9Å; H313-H318 AromaticContact CD2-NE2 3.57Å; H313-H318 AromaticContact NE2-CD2 3.82Å; H313-H318 AromaticContact NE2-CE1 3.98Å; H313-H318 AromaticContact NE2-NE2 3.03Å; H313-H318 PolarHBondContact NE2-NE2 2.8Å |
| 314 | I | 83.9 | Confident | 72.2 | Confident | 14 Ų | 14 | 81.8 Ų | 81.8 | 7% | 0.072 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -57 | -47.6 | 178.3 | -63.2 | 168.9 | 0 | 0 | 0 | 110.4 | Y299 L310 S311 S316 R317 H318 L319 P329 | Y299-I314 HydrophobicContact CE2-CG2 4.25Å; L310-I314 HydrophobicContact CD1-CD1 3.9Å; L310-I314 HydrophobicContact CD1-CG1 4.09Å; L310-I314 HydrophobicContact CD2-CD1 4.39Å; L310-I314 HydrophobicContact CG-CD1 3.81Å; L310-I314 HydrophobicContact CG-CG1 4.4Å; L310-I314 WeakPolarHBondContact O-CG1 3.49Å; L310-I314 PolarHBondContact O-N 2.89Å; S311-I314 PolarHBondContact O-N 3.19Å; I314-S316 PolarHBondContact O-N 3.16Å; I314-S316 VanDerWaalsContact O-N 3.09Å; I314-R317 PolarHBondContact O-N 2.98Å; I314-H318 HydrophobicContact CG2-CB 4.44Å; I314-H318 PolarHBondContact O-N 3.4Å; I314-L319 HydrophobicContact CG2-CD1 4.36Å; I314-L319 PolarHBondContact O-N 3.23Å; I314-P329 HydrophobicContact CD1-CB 3.89Å |
| 315 | N | 81.1 | Confident | 69.8 | Low | 97 Ų | 97 | 87.7 Ų | 87.7 | 52% | 0.519 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.5 | -10 | 177.3 | -61.3 | 10.8 | 0 | 0 | 0 | 114.6 | S311 H313 L319 | S311-N315 VanDerWaalsContact O-CB 3.24Å; S311-N315 WeakPolarHBondContact O-CB 3.49Å; S311-N315 PolarHBondContact O-N 2.89Å; S311-N315 PolarHBondContact O-OD1 2.87Å; H313-N315 VanDerWaalsContact C-N 3.32Å; H313-N315 PolarHBondContact O-N 2.91Å; N315-L319 HydrophobicContact CB-CD1 4.31Å; N315-L319 VanDerWaalsContact OD1-CD1 3.29Å; N315-L319 WeakPolarHBondContact OD1-CD1 3.24Å |
| 316 | S | 80.7 | Confident | 67.9 | Low | 84 Ų | 84 | 93.9 Ų | 93.9 | 59% | 0.587 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -121.4 | -7.4 | 179.9 | 60.8 | 0 | 0 | 0 | 0 | 115.1 | R312 H313 I314 | R312-S316 WeakPolarHBondContact O-CB 3.37Å; R312-S316 PolarHBondContact O-N 2.85Å; R312-S316 PolarHBondContact O-OG 3.43Å; H313-S316 CarbonylContact O-C 3.59Å; H313-S316 PolarHBondContact O-N 3.35Å; H313-S316 PolarHBondContact O-OG 3.33Å; H313-S316 VanDerWaalsContact O-OG 3.14Å; I314-S316 PolarHBondContact O-N 3.16Å; I314-S316 VanDerWaalsContact O-N 3.09Å |
| 317 | R | 78.3 | Confident | 65.9 | Low | 178 Ų | 178 | 95 Ų | 95 | 67% | 0.672 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -125.7 | -31.5 | -178.5 | -76.1 | -69.9 | -172.3 | 149.2 | -2.3 | 114.9 | H313 I314 | H313-R317 WeakPolarHBondContact O-CB 3.45Å; H313-R317 PolarHBondContact O-N 2.79Å; I314-R317 PolarHBondContact O-N 2.98Å |
| 318 | H | 81.5 | Confident | 64.2 | Low | 25 Ų | 25 | 101.6 Ų | 101.6 | 12% | 0.116 | 51% | 0.508 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.9 | -28.5 | -168.7 | -51.6 | -51.4 | 0 | 0 | 0 | 112.8 | C297 Y299 C300 H313 I314 S320 S321 L322 | C297-H318 PolarHBondContact SG-CD2 3.27Å; C297-H318 PolarHBondContact SG-NE2 3.14Å; Y299-H318 HydrophobicContact CD2-CB 3.83Å; Y299-H318 AromaticContact CD2-CD2 3.77Å; Y299-H318 AromaticContact CD2-CG 3.81Å; Y299-H318 HydrophobicContact CE2-CB 4.38Å; Y299-H318 HydrophobicContact CG-CB 4.01Å; Y299-H318 AromaticContact CG-CG 3.84Å; C300-H318 PolarHBondContact SG-NE2 2.67Å; C300-H318 VanDerWaalsContact SG-NE2 3.36Å; H313-H318 AromaticContact CD2-CD2 3.9Å; H313-H318 AromaticContact CD2-NE2 3.57Å; H313-H318 AromaticContact NE2-CD2 3.82Å; H313-H318 AromaticContact NE2-CE1 3.98Å; H313-H318 AromaticContact NE2-NE2 3.03Å; H313-H318 PolarHBondContact NE2-NE2 2.8Å; I314-H318 HydrophobicContact CG2-CB 4.44Å; I314-H318 PolarHBondContact O-N 3.4Å; H318-S320 PolarHBondContact O-N 3.11Å; H318-S320 VanDerWaalsContact O-N 3.11Å; H318-S321 CarbonylContact O-C 3.58Å; H318-S321 PolarHBondContact O-N 3.08Å; H318-S321 PolarHBondContact O-OG 3.06Å; H318-S321 VanDerWaalsContact O-OG 3.07Å; H318-L322 PolarHBondContact O-N 2.57Å |
| 319 | L | 63.5 | Low | 62.1 | Low | 81 Ų | 81 | 98.7 Ų | 98.7 | 42% | 0.424 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | 6.3 | 172.3 | -94.3 | 160.2 | 0 | 0 | 0 | 114.7 | I314 N315 L322 | I314-L319 HydrophobicContact CG2-CD1 4.36Å; I314-L319 PolarHBondContact O-N 3.23Å; N315-L319 HydrophobicContact CB-CD1 4.31Å; N315-L319 VanDerWaalsContact OD1-CD1 3.29Å; N315-L319 WeakPolarHBondContact OD1-CD1 3.24Å; L319-L322 HydrophobicContact CD2-CB 4.41Å |
| 320 | S | 50 | Low | 60.1 | Low | 106 Ų | 106 | 97.2 Ų | 97.2 | 74% | 0.741 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -5.9 | 162.6 | 49.2 | 0 | 0 | 0 | 0 | 113.4 | H318 | H318-S320 PolarHBondContact O-N 3.11Å; H318-S320 VanDerWaalsContact O-N 3.11Å |
| 321 | S | 47.8 | Very low | 57.5 | Low | 98 Ų | 98 | 100 Ų | 100 | 69% | 0.685 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -132.1 | 13.7 | 177.4 | 60.7 | 0 | 0 | 0 | 0 | 112.8 | H318 | H318-S321 CarbonylContact O-C 3.58Å; H318-S321 PolarHBondContact O-N 3.08Å; H318-S321 PolarHBondContact O-OG 3.06Å; H318-S321 VanDerWaalsContact O-OG 3.07Å |
| 322 | L | 44.6 | Very low | 55.3 | Low | 61 Ų | 61 | 104.7 Ų | 104.7 | 32% | 0.319 | 54% | 0.543 | S | S | . | . | | | trans | -122.6 | 82.4 | 179.1 | -159.4 | 78.4 | 0 | 0 | 0 | 108.8 | H318 L319 | H318-L322 PolarHBondContact O-N 2.57Å; L319-L322 HydrophobicContact CD2-CB 4.41Å |
| 323 | E | 37.3 | Very low | 52.8 | Low | 176 Ų | 176 | 102.5 Ų | 102.5 | 82% | 0.822 | 54% | 0.539 | S | S | * | . | | | trans | -62.9 | 145.8 | 168.1 | -65 | -168.6 | 142.4 | 0 | 0 | 110.2 | D325 | E323-D325 PolarHBondContact O-N 3.17Š|
| 324 | H | 35.5 | Very low | 50.1 | Low | 180 Ų | 180 | 105.6 Ų | 105.6 | 83% | 0.833 | 56% | 0.56 | S | S | * | * | S | Bend | trans | 46.6 | 64.8 | 161.8 | -65.7 | -69.1 | 0 | 0 | 0 | 118 | | |
| 325 | D | 36.9 | Very low | 47.6 | Very low | 128 Ų | 128 | 110.6 Ų | 110.6 | 68% | 0.684 | 58% | 0.583 | S | S | * | * | | | | -161.9 | 163.7 | 118.9 | -127.4 | -34.5 | 0 | 0 | 0 | 115.9 | E323 V327 | E323-D325 PolarHBondContact O-N 3.17Å; D325-V327 HydrophobicContact CB-CG2 4.11Å; D325-V327 PolarHBondContact O-N 3.13Å; D325-V327 VanDerWaalsContact O-N 3.09Å |
| 326 | K | 40.4 | Very low | 45.2 | Very low | 201 Ų | 201 | 109.9 Ų | 109.9 | 87% | 0.874 | 58% | 0.584 | S | S | * | * | | | trans | -82.7 | 60.7 | 169.4 | -73.5 | -178.1 | -178.4 | 167.2 | 0 | 111.5 | E328 | K326-E328 PolarHBondContact O-N 3.24Å; K326-E328 VanDerWaalsContact O-N 3.1Å |
| 327 | V | 38.8 | Very low | 42.7 | Very low | 91 Ų | 91 | 112 Ų | 112 | 55% | 0.552 | 59% | 0.593 | S | S | * | * | | | trans | -67.9 | 107 | 171.5 | -174.9 | 0 | 0 | 0 | 0 | 108.7 | D325 | D325-V327 HydrophobicContact CB-CG2 4.11Å; D325-V327 PolarHBondContact O-N 3.13Å; D325-V327 VanDerWaalsContact O-N 3.09Å |
| 328 | E | 45.1 | Very low | 40.2 | Very low | 175 Ų | 175 | 107.7 Ų | 107.7 | 82% | 0.818 | 59% | 0.59 | S | S | * | * | | | trans | -59.9 | 130.6 | 160.2 | -81.6 | -158.3 | 134.2 | 0 | 0 | 107.7 | K326 S330 | K326-E328 PolarHBondContact O-N 3.24Å; K326-E328 VanDerWaalsContact O-N 3.1Å; E328-S330 PolarHBondContact O-N 2.95Å |
| 329 | P | 37.8 | Very low | 37.6 | Very low | 40 Ų | 40 | 114.4 Ų | 114.4 | 26% | 0.26 | 63% | 0.626 | S | S | . | * | | | trans | -64.9 | 108 | -178.2 | 25.7 | -33.3 | 0 | 0 | 0 | 109.5 | I314 C331 | I314-P329 HydrophobicContact CD1-CB 3.89Å; P329-C331 PolarHBondContact O-N 2.98Å; P329-C331 PolarHBondContact O-SG 3.28Å |
| 330 | S | 37.9 | Very low | 35.9 | Very low | 83 Ų | 83 | 114 Ų | 114 | 58% | 0.58 | 63% | 0.63 | S | S | * | * | | | trans | -53.4 | 98.5 | -179.3 | -69.2 | 0 | 0 | 0 | 0 | 110.9 | E328 L332 | E328-S330 PolarHBondContact O-N 2.95Å; S330-L332 PolarHBondContact O-N 3.3Å |
| 331 | C | 33.5 | Very low | 34.9 | Very low | 64 Ų | 64 | 115.8 Ų | 115.8 | 43% | 0.432 | 63% | 0.631 | S | S | . | * | | | trans | -75.8 | 61.9 | -175 | -72.5 | 0 | 0 | 0 | 0 | 112 | F295 P329 Q333 | F295-C331 HydrophobicContact CD1-CB 4.41Å; F295-C331 HydrophobicContact CE1-CB 4.28Å; P329-C331 PolarHBondContact O-N 2.98Å; P329-C331 PolarHBondContact O-SG 3.28Å; C331-Q333 PolarHBondContact O-N 2.73Å |
| 332 | L | 34.4 | Very low | 33.7 | Very low | 135 Ų | 135 | 118 Ų | 118 | 71% | 0.707 | 63% | 0.634 | S | S | * | * | | | trans | -64.1 | 104.9 | 174.9 | -74.3 | 175 | 0 | 0 | 0 | 109.6 | S330 V334 | S330-L332 PolarHBondContact O-N 3.3Å; L332-V334 VanDerWaalsContact C-N 3.33Å; L332-V334 PolarHBondContact O-N 2.87Å |
| 333 | Q | 32.5 | Very low | 32.8 | Very low | 109 Ų | 109 | 119.4 Ų | 119.4 | 51% | 0.509 | 65% | 0.649 | S | S | . | * | | | trans | -75.3 | 85.3 | 179.6 | -172.7 | -174.3 | -13 | 0 | 0 | 109.8 | N293 C331 H335 | N293-Q333 PolarHBondContact ND2-NE2 3.2Å; N293-Q333 PolarHBondContact OD1-NE2 3.03Å; N293-Q333 VanDerWaalsContact OD1-NE2 3.12Å; C331-Q333 PolarHBondContact O-N 2.73Å; Q333-H335 PolarHBondContact O-N 3.09Å |
| 334 | V | 30.8 | Very low | 32.2 | Very low | 91 Ų | 91 | 117.4 Ų | 117.4 | 55% | 0.552 | 64% | 0.644 | S | S | * | * | | | trans | -65.2 | 101.7 | 170 | -176.5 | 0 | 0 | 0 | 0 | 108.6 | L332 | L332-V334 VanDerWaalsContact C-N 3.33Å; L332-V334 PolarHBondContact O-N 2.87Å |
| 335 | H | 32 | Very low | 31.9 | Very low | 119 Ų | 119 | 117.5 Ų | 117.5 | 55% | 0.551 | 65% | 0.645 | S | S | * | * | | | trans | -63.7 | 127.7 | 163.8 | -106.1 | -95.6 | 0 | 0 | 0 | 108.2 | Q333 T337 | Q333-H335 PolarHBondContact O-N 3.09Å; H335-T337 PolarHBondContact O-N 3.29Å |
| 336 | P | 29.2 | Very low | 31.3 | Very low | 83 Ų | 83 | 118.2 Ų | 118.2 | 54% | 0.539 | 65% | 0.647 | S | S | . | * | | | trans | -67.2 | 102.9 | 166.9 | 27.9 | -31.4 | 0 | 0 | 0 | 107.6 | P291 | P291-P336 HydrophobicContact CB-CG 3.88Å; P291-P336 HydrophobicContact CG-CG 4.03Å |
| 337 | T | 29.3 | Very low | 30.5 | Very low | 129 Ų | 129 | 116 Ų | 116 | 79% | 0.791 | 64% | 0.643 | S | S | * | * | | | trans | -57.8 | 140.9 | 166 | 34.2 | 0 | 0 | 0 | 0 | 108.8 | H335 L339 | H335-T337 PolarHBondContact O-N 3.29Å; T337-L339 PolarHBondContact O-N 3.2Å |
| 338 | S | 25.9 | Very low | 29.9 | Very low | 86 Ų | 86 | 117.4 Ų | 117.4 | 60% | 0.601 | 65% | 0.652 | S | S | * | * | | | trans | -63.3 | 132 | -179.5 | 42.7 | 0 | 0 | 0 | 0 | 110.3 | S340 | S338-S340 WeakPolarHBondContact CB-OG 3.19Å; S338-S340 PolarHBondContact O-N 2.82Å; S338-S340 PolarHBondContact O-OG 3.37Å; S338-S340 PolarHBondContact OG-OG 2.79Å |
| 339 | L | 26.2 | Very low | 28.8 | Very low | 166 Ų | 166 | 115.6 Ų | 115.6 | 87% | 0.869 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | 70.5 | 166.1 | -75.1 | 163.2 | 0 | 0 | 0 | 108.8 | T337 I342 | T337-L339 PolarHBondContact O-N 3.2Å; L339-I342 HydrophobicContact CD2-CD1 3.98Å |
| 340 | S | 28.2 | Very low | 28.2 | Very low | 74 Ų | 74 | 118.3 Ų | 118.3 | 52% | 0.517 | 67% | 0.673 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -129.8 | -35.5 | -179.5 | 50 | 0 | 0 | 0 | 0 | 112 | S338 | S338-S340 WeakPolarHBondContact CB-OG 3.19Å; S338-S340 PolarHBondContact O-N 2.82Å; S338-S340 PolarHBondContact O-OG 3.37Å; S338-S340 PolarHBondContact OG-OG 2.79Å |
| 341 | D | 28.2 | Very low | 27.5 | Very low | 142 Ų | 142 | 121 Ų | 121 | 76% | 0.759 | 68% | 0.681 | S | S | * | * | | | trans | -106.3 | 48.8 | -172.6 | -60.6 | -80.6 | 0 | 0 | 0 | 112.1 | S343 | D341-S343 VanDerWaalsContact C-N 3.34Å; D341-S343 PolarHBondContact O-N 2.71Å |
| 342 | I | 24.2 | Very low | 27.2 | Very low | 144 Ų | 144 | 129.1 Ų | 129.1 | 74% | 0.738 | 71% | 0.705 | S | S | * | * | | | trans | -87.6 | 78.4 | 162.8 | -54.4 | 178.9 | 0 | 0 | 0 | 107.8 | L339 | L339-I342 HydrophobicContact CD2-CD1 3.98Š|
| 343 | S | 24.6 | Very low | 26.7 | Very low | 92 Ų | 92 | 127.8 Ų | 127.8 | 64% | 0.643 | 71% | 0.706 | S | S | * | * | | | trans | -160.1 | 141.9 | 165.3 | -161.1 | 0 | 0 | 0 | 0 | 112.8 | D341 | D341-S343 VanDerWaalsContact C-N 3.34Å; D341-S343 PolarHBondContact O-N 2.71Å |
| 344 | N | 25.6 | Very low | 26.4 | Very low | 133 Ų | 133 | 127.9 Ų | 127.9 | 71% | 0.711 | 72% | 0.719 | S | S | * | * | S | Bend | trans | 75.6 | 129.5 | 173.9 | -45.3 | -55.1 | 0 | 0 | 0 | 117.3 | | |
| 345 | Q | 28.1 | Very low | 26.2 | Very low | 182 Ų | 182 | 128.6 Ų | 128.6 | 85% | 0.85 | 73% | 0.728 | S | S | * | * | | | trans | 62.1 | 96.5 | 165.8 | -56.4 | 173.4 | 43.9 | 0 | 0 | 115 | | |
| 346 | I | 24.3 | Very low | 25.9 | Very low | 143 Ų | 143 | 127.7 Ų | 127.7 | 73% | 0.733 | 74% | 0.735 | S | S | * | * | | | cis | 64.9 | 103.9 | 17.4 | -57.3 | -179 | 0 | 0 | 0 | 114.1 | | |
| 347 | I | 24.4 | Very low | 25.7 | Very low | 154 Ų | 154 | 128.5 Ų | 128.5 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | | | trans | 70.6 | 140.7 | 162.2 | -61.1 | 168.6 | 0 | 0 | 0 | 112.9 | | |
| 348 | T | 25.5 | Very low | 25.5 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | | | cis | -136.3 | 154.9 | 26.9 | -28.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 349 | T | 22.3 | Very low | 25.4 | Very low | 137 Ų | 137 | 128.6 Ų | 128.6 | 84% | 0.84 | 75% | 0.749 | S | S | * | * | | | trans | -119.9 | 116.3 | 160.7 | 50.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 350 | S | 24.5 | Very low | 25.3 | Very low | 96 Ų | 96 | 125.1 Ų | 125.1 | 67% | 0.671 | 74% | 0.738 | S | S | * | * | | | trans | 170 | 133.5 | 151.6 | 55.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 351 | D | 24.1 | Very low | 25.2 | Very low | 141 Ų | 141 | 132 Ų | 132 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | | | trans | 23.3 | 124.5 | 137.2 | -41 | -35.6 | 0 | 0 | 0 | 119.5 | | |
| 352 | Y | 27.1 | Very low | 24.9 | Very low | 234 Ų | 234 | 132.2 Ų | 132.2 | 92% | 0.918 | 76% | 0.76 | S | S | * | * | | | | -168.2 | 153.5 | 101 | -120.3 | -97 | 0 | 0 | 0 | 112.4 | | |
| 353 | S | 24.5 | Very low | 25 | Very low | 107 Ų | 107 | 133.5 Ų | 133.5 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | | | trans | -82.5 | 137.4 | 176.3 | -49.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 354 | S | 26 | Very low | 24.9 | Very low | 111 Ų | 111 | 133.8 Ų | 133.8 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | | | | 174.8 | 135.9 | 127.1 | 42.5 | 0 | 0 | 0 | 0 | 114.2 | | |
| 355 | S | 25.5 | Very low | 25 | Very low | 106 Ų | 106 | 134.2 Ų | 134.2 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | | | trans | 8.3 | 158.7 | 148.5 | 56.3 | 0 | 0 | 0 | 0 | 123.3 | | |
| 356 | S | 26.5 | Very low | 24.9 | Very low | 100 Ų | 100 | 129.7 Ų | 129.7 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | | | trans | 99.4 | 99.7 | 148.9 | -47 | 0 | 0 | 0 | 0 | 118.2 | | |
| 357 | S | 25.6 | Very low | 25.2 | Very low | 100 Ų | 100 | 130.5 Ų | 130.5 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | | | | 49.9 | 118.6 | 127 | 63.6 | 0 | 0 | 0 | 0 | 122 | | |
| 358 | S | 24.6 | Very low | 25.5 | Very low | 113 Ų | 113 | 127.6 Ų | 127.6 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | | | | 86.9 | 151.7 | 127.5 | -60.7 | 0 | 0 | 0 | 0 | 122 | | |
| 359 | S | 23.9 | Very low | 26.1 | Very low | 104 Ų | 104 | 127.2 Ų | 127.2 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | | | trans | 69.1 | 97.8 | 162.9 | 52.8 | 0 | 0 | 0 | 0 | 119.9 | | |
| 360 | S | 24 | Very low | 26.6 | Very low | 93 Ų | 93 | 128.6 Ų | 128.6 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | | | | 35.8 | 131.2 | 121.4 | 62.1 | 0 | 0 | 0 | 0 | 121.3 | | |
| 361 | F | 25.2 | Very low | 27.2 | Very low | 218 Ų | 218 | 128.8 Ų | 128.8 | 96% | 0.956 | 76% | 0.762 | S | S | * | * | | | | -139.5 | 145.8 | 123.6 | -89.1 | -70 | 0 | 0 | 0 | 111.4 | | |
| 362 | L | 23.2 | Very low | 27.5 | Very low | 146 Ų | 146 | 127.8 Ų | 127.8 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | | | trans | -113 | 149.1 | -179.8 | -83.9 | 160.7 | 0 | 0 | 0 | 110 | | |
| 363 | I | 25.2 | Very low | 27.7 | Very low | 171 Ų | 171 | 122 Ų | 122 | 88% | 0.877 | 75% | 0.749 | S | S | * | * | | | trans | -132.3 | 132.1 | 152.3 | -61 | -176.6 | 0 | 0 | 0 | 108 | | |
| 364 | T | 23 | Very low | 28 | Very low | 99 Ų | 99 | 123.4 Ų | 123.4 | 61% | 0.607 | 75% | 0.749 | S | S | * | * | | | trans | -127.9 | 140.3 | -170.8 | -50.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 365 | V | 27.4 | Very low | 28.4 | Very low | 142 Ų | 142 | 122.6 Ų | 122.6 | 86% | 0.861 | 74% | 0.743 | S | S | * | * | | | trans | -134.3 | 136.7 | 159.9 | -175.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 366 | S | 26.1 | Very low | 28.9 | Very low | 87 Ų | 87 | 124.1 Ų | 124.1 | 61% | 0.608 | 75% | 0.748 | S | S | * | * | | | trans | -106.9 | 161.4 | -165.5 | -55 | 0 | 0 | 0 | 0 | 113.1 | | |
| 367 | N | 31.7 | Very low | 28.9 | Very low | 159 Ų | 159 | 124.3 Ų | 124.3 | 85% | 0.85 | 75% | 0.749 | S | S | * | * | | | | -176.8 | 117.3 | 129.1 | -87.2 | -17.4 | 0 | 0 | 0 | 107.9 | | |
| 368 | S | 30.4 | Very low | 29.5 | Very low | 94 Ų | 94 | 124 Ų | 124 | 66% | 0.657 | 75% | 0.745 | S | S | * | * | | | cis | 109.3 | 94.3 | 27.7 | 67 | 0 | 0 | 0 | 0 | 111.9 | | |
| 369 | S | 38.3 | Very low | 29.6 | Very low | 114 Ų | 114 | 125.6 Ų | 125.6 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | | | trans | -173.4 | 68.6 | 152.1 | 56.2 | 0 | 0 | 0 | 0 | 114.7 | | |
| 370 | L | 32.2 | Very low | 29.7 | Very low | 165 Ų | 165 | 124.4 Ų | 124.4 | 86% | 0.864 | 74% | 0.737 | S | S | * | * | | | | 60.3 | 166.9 | 124.8 | -59.5 | 173 | 0 | 0 | 0 | 118.9 | | |
| 371 | P | 37.5 | Very low | 30 | Very low | 100 Ų | 100 | 128.3 Ų | 128.3 | 65% | 0.649 | 74% | 0.742 | S | S | * | * | | | | -143.4 | -154.4 | -94.4 | 37.8 | -12.7 | 0 | 0 | 0 | 113.6 | | |
| 372 | V | 30.3 | Very low | 30 | Very low | 121 Ų | 121 | 125.8 Ų | 125.8 | 73% | 0.733 | 73% | 0.733 | S | S | * | * | | | trans | 68.5 | 132.3 | 145.6 | 159.4 | 0 | 0 | 0 | 0 | 116.4 | | |
| 373 | T | 30.8 | Very low | 30.2 | Very low | 111 Ų | 111 | 125.2 Ų | 125.2 | 68% | 0.681 | 74% | 0.736 | S | S | * | * | | | cis | -160.8 | -177.8 | -2 | 23.8 | 0 | 0 | 0 | 0 | 107.8 | | |
| 374 | D | 31.1 | Very low | 30.2 | Very low | 137 Ų | 137 | 124.3 Ų | 124.3 | 73% | 0.733 | 73% | 0.731 | S | S | * | * | | | cis | -155.7 | -178.6 | 8.9 | -134.3 | -46.1 | 0 | 0 | 0 | 113.3 | | |
| 375 | S | 34.2 | Very low | 30.5 | Very low | 94 Ų | 94 | 126 Ų | 126 | 66% | 0.657 | 74% | 0.742 | S | S | * | * | | | trans | 84.2 | 108.9 | 146.6 | 72.1 | 0 | 0 | 0 | 0 | 121.7 | | |
| 376 | T | 34.8 | Very low | 30.4 | Very low | 138 Ų | 138 | 123.6 Ų | 123.6 | 85% | 0.847 | 73% | 0.731 | S | S | * | * | | | trans | 68.6 | 90.4 | 140 | 34.9 | 0 | 0 | 0 | 0 | 122.1 | | |
| 377 | S | 28.5 | Very low | 30.6 | Very low | 104 Ų | 104 | 127.3 Ų | 127.3 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | | | trans | -75.8 | -157.9 | 140 | 59.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 378 | P | 36.3 | Very low | 30.6 | Very low | 95 Ų | 95 | 125.9 Ų | 125.9 | 62% | 0.617 | 74% | 0.741 | S | S | * | * | | | cis | -128.4 | -154.9 | -46.7 | 29 | -6.5 | 0 | 0 | 0 | 111.4 | | |
| 379 | N | 27.6 | Very low | 30.7 | Very low | 145 Ų | 145 | 126.6 Ų | 126.6 | 78% | 0.775 | 74% | 0.744 | S | S | * | * | | | trans | 71.3 | 161.1 | 158.8 | -59.3 | -10.6 | 0 | 0 | 0 | 116.5 | | |
| 380 | S | 26.4 | Very low | 30.2 | Very low | 80 Ų | 80 | 125.6 Ų | 125.6 | 56% | 0.559 | 74% | 0.737 | S | S | * | * | | | cis | -170.2 | -161.2 | -30.8 | 55.3 | 0 | 0 | 0 | 0 | 107.2 | | |
| 381 | F | 29.6 | Very low | 30 | Very low | 174 Ų | 174 | 123.2 Ų | 123.2 | 76% | 0.763 | 73% | 0.729 | S | S | * | * | | | trans | 79.2 | 105.1 | 170.5 | -56.7 | -73.8 | 0 | 0 | 0 | 119.3 | | |
| 382 | E | 24.4 | Very low | 29.6 | Very low | 165 Ų | 165 | 127 Ų | 127 | 77% | 0.771 | 74% | 0.736 | S | S | * | * | | | | 19.3 | 136.6 | 115.1 | -56.3 | 169.7 | 122.2 | 0 | 0 | 119.8 | | |
| 383 | T | 29.3 | Very low | 29.5 | Very low | 135 Ų | 135 | 126.2 Ų | 126.2 | 83% | 0.828 | 73% | 0.732 | S | S | * | * | | | | -170.3 | 143.6 | 110.9 | -75 | 0 | 0 | 0 | 0 | 111 | | |
| 384 | I | 24.5 | Very low | 29.5 | Very low | 151 Ų | 151 | 126.5 Ų | 126.5 | 77% | 0.774 | 73% | 0.733 | S | S | * | * | | | trans | -96 | 134 | 177.1 | -60.5 | 161 | 0 | 0 | 0 | 109.8 | | |
| 385 | V | 29.2 | Very low | 29.5 | Very low | 135 Ų | 135 | 127.3 Ų | 127.3 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | | | trans | -140.5 | 120.5 | 155.8 | -175.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 386 | S | 25.1 | Very low | 29.4 | Very low | 92 Ų | 92 | 128.6 Ų | 128.6 | 64% | 0.643 | 73% | 0.732 | S | S | * | * | | | trans | -100 | 157.4 | 169.5 | -53.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 387 | N | 31.2 | Very low | 29.4 | Very low | 164 Ų | 164 | 128.2 Ų | 128.2 | 88% | 0.877 | 73% | 0.725 | S | S | * | * | | | trans | -167.5 | 130.8 | 142 | -96.7 | -26.6 | 0 | 0 | 0 | 113.4 | | |
| 388 | T | 30.3 | Very low | 29.9 | Very low | 129 Ų | 129 | 128.8 Ų | 128.8 | 79% | 0.791 | 72% | 0.72 | S | S | * | * | | | trans | -84.6 | -175.8 | 162 | 43.3 | 0 | 0 | 0 | 0 | 108.8 | | |
| 389 | P | 32.7 | Very low | 29.9 | Very low | 109 Ų | 109 | 130.5 Ų | 130.5 | 71% | 0.708 | 72% | 0.724 | S | S | * | * | | | cis | -153.8 | -178.2 | 24.7 | 42.3 | -17.9 | 0 | 0 | 0 | 120.9 | | |
| 390 | S | 28.8 | Very low | 30.2 | Very low | 93 Ų | 93 | 129.5 Ų | 129.5 | 65% | 0.65 | 72% | 0.718 | S | S | * | * | | | trans | 63.2 | 110.8 | 141.6 | 62.4 | 0 | 0 | 0 | 0 | 124.4 | | |
| 391 | T | 28 | Very low | 30.5 | Very low | 116 Ų | 116 | 132 Ų | 132 | 71% | 0.712 | 73% | 0.725 | S | S | * | * | | | | 49.2 | 126.4 | 111.4 | -32.3 | 0 | 0 | 0 | 0 | 121.4 | | |
| 392 | F | 28.2 | Very low | 30.5 | Very low | 179 Ų | 179 | 134.6 Ų | 134.6 | 79% | 0.785 | 73% | 0.732 | S | S | * | * | | | | 174 | 138.5 | 112.3 | -109.1 | -88.2 | 0 | 0 | 0 | 117.4 | | |
| 393 | T | 29.6 | Very low | 30.7 | Very low | 105 Ų | 105 | 130.1 Ų | 130.1 | 64% | 0.644 | 73% | 0.729 | S | S | * | * | | | trans | 57.9 | 109.6 | 147.7 | 35.2 | 0 | 0 | 0 | 0 | 127.1 | | |
| 394 | T | 29.6 | Very low | 30.7 | Very low | 117 Ų | 117 | 129 Ų | 129 | 72% | 0.718 | 73% | 0.727 | S | S | * | * | | | | 65.8 | 138.7 | 114.1 | 57.7 | 0 | 0 | 0 | 0 | 127.7 | | |
| 395 | Q | 30.4 | Very low | 30.7 | Very low | 154 Ų | 154 | 127.3 Ų | 127.3 | 72% | 0.72 | 73% | 0.727 | S | S | * | * | | | trans | 96.8 | 120 | 135.1 | -86.5 | -166.3 | -68.1 | 0 | 0 | 122.6 | | |
| 396 | D | 32.2 | Very low | 30.6 | Very low | 120 Ų | 120 | 128.3 Ų | 128.3 | 64% | 0.642 | 73% | 0.728 | S | S | * | * | | | | 46.7 | 143.3 | 124.7 | -48 | -9.2 | 0 | 0 | 0 | 120.2 | | |
| 397 | N | 35.9 | Very low | 30.9 | Very low | 131 Ų | 131 | 129 Ų | 129 | 70% | 0.701 | 73% | 0.731 | S | S | * | * | | | cis | -171.3 | 166.4 | 35.8 | -139.5 | -28.9 | 0 | 0 | 0 | 114.7 | | |
| 398 | N | 37.7 | Very low | 30.7 | Very low | 116 Ų | 116 | 126 Ų | 126 | 62% | 0.62 | 72% | 0.722 | S | S | * | * | | | trans | 63.6 | 101.6 | 146.9 | -75.7 | -41.7 | 0 | 0 | 0 | 125.3 | | |
| 399 | N | 36.8 | Very low | 30.4 | Very low | 131 Ų | 131 | 124.7 Ų | 124.7 | 70% | 0.701 | 72% | 0.718 | S | S | * | * | | | | 75.2 | 139.4 | 101.5 | -87.5 | -28.5 | 0 | 0 | 0 | 126.5 | | |
| 400 | N | 35.1 | Very low | 30.1 | Very low | 123 Ų | 123 | 129.8 Ų | 129.8 | 66% | 0.658 | 73% | 0.725 | S | S | * | * | | | trans | 92.2 | 95.1 | 137.3 | -73.3 | -18.9 | 0 | 0 | 0 | 124.6 | | |
| 401 | N | 31.8 | Very low | 29.9 | Very low | 132 Ų | 132 | 133.6 Ų | 133.6 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | | | | 73.5 | 157 | 115 | -84.1 | -21.1 | 0 | 0 | 0 | 124.1 | | |
| 402 | Y | 29.8 | Very low | 29.8 | Very low | 230 Ų | 230 | 133.4 Ų | 133.4 | 90% | 0.902 | 74% | 0.736 | S | S | * | * | | | trans | 70.1 | 138.1 | 179.5 | -52.8 | -83.9 | 0 | 0 | 0 | 115.5 | | |
| 403 | G | 28.9 | Very low | 29.7 | Very low | 70 Ų | 70 | 134.7 Ų | 134.7 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | | | cis | 169.2 | 178.4 | -6.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 404 | S | 28.4 | Very low | 29.7 | Very low | 112 Ų | 112 | 134.1 Ų | 134.1 | 78% | 0.783 | 74% | 0.74 | S | S | * | * | | | trans | 70.8 | 105.4 | 165.5 | -171.3 | 0 | 0 | 0 | 0 | 120.9 | | |
| 405 | C | 24.8 | Very low | 29.5 | Very low | 115 Ų | 115 | 135.6 Ų | 135.6 | 78% | 0.777 | 74% | 0.743 | S | S | * | * | | | | 41.4 | 124.3 | 126.9 | -55 | 0 | 0 | 0 | 0 | 123.1 | | |
| 406 | N | 28.4 | Very low | 29.1 | Very low | 157 Ų | 157 | 134.2 Ų | 134.2 | 84% | 0.84 | 75% | 0.745 | S | S | * | * | | | | 28.9 | 154.6 | 111.7 | -86.9 | 3.3 | 0 | 0 | 0 | 121.5 | | |
| 407 | P | 31.5 | Very low | 28.8 | Very low | 107 Ų | 107 | 134.3 Ų | 134.3 | 70% | 0.695 | 75% | 0.752 | S | S | * | * | | | cis | -139.4 | -149.3 | -5.3 | 41.3 | -20 | 0 | 0 | 0 | 113.1 | | |
| 408 | S | 25.8 | Very low | 28 | Very low | 99 Ų | 99 | 133.6 Ų | 133.6 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | | | trans | 70.6 | 129.2 | 173.4 | 69.4 | 0 | 0 | 0 | 0 | 116 | | |
| 409 | S | 23.8 | Very low | 27.4 | Very low | 102 Ų | 102 | 134.4 Ų | 134.4 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | | | cis | 81.8 | 74.2 | 33.1 | 86.1 | 0 | 0 | 0 | 0 | 114.9 | | |
| 410 | Y | 26.1 | Very low | 26.7 | Very low | 216 Ų | 216 | 133.6 Ų | 133.6 | 85% | 0.847 | 76% | 0.761 | S | S | * | * | | | trans | -145.5 | 156.1 | 152.4 | -100.5 | -74 | 0 | 0 | 0 | 112.8 | | |
| 411 | E | 24.7 | Very low | 26.2 | Very low | 173 Ų | 173 | 133.6 Ų | 133.6 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | | | trans | -57.5 | 143.8 | -175.4 | -54.9 | 156.4 | 116.2 | 0 | 0 | 114.9 | | |
| 412 | S | 26.6 | Very low | 25.7 | Very low | 113 Ų | 113 | 136 Ų | 136 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | | | trans | -175 | 110.1 | 141.3 | -174.6 | 0 | 0 | 0 | 0 | 112.3 | | |
| 413 | F | 27 | Very low | 25.6 | Very low | 205 Ų | 205 | 133.4 Ų | 133.4 | 90% | 0.899 | 78% | 0.776 | S | S | * | * | | | trans | -85 | 144.1 | 141.7 | -67.3 | -84.2 | 0 | 0 | 0 | 105.9 | | |
| 414 | P | 28.3 | Very low | 25.4 | Very low | 93 Ų | 93 | 139.5 Ų | 139.5 | 60% | 0.604 | 78% | 0.782 | S | S | * | * | | | cis | -150.3 | -178.2 | 47.8 | 38.6 | -17.2 | 0 | 0 | 0 | 116.1 | | |
| 415 | N | 26.2 | Very low | 25.3 | Very low | 148 Ų | 148 | 139.3 Ų | 139.3 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | | | | 162.8 | 120.7 | 121.8 | -84.5 | -42.7 | 0 | 0 | 0 | 111.6 | | |
| 416 | V | 22.5 | Very low | 25.3 | Very low | 126 Ų | 126 | 139.8 Ų | 139.8 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | | | trans | -107.4 | 120.8 | 172.5 | 178.1 | 0 | 0 | 0 | 0 | 109.1 | V418 | V416-V418 HydrophobicContact CG1-CG2 4.03Å; V416-V418 PolarHBondContact O-N 3.03Å |
| 417 | P | 24.1 | Very low | 25.1 | Very low | 121 Ų | 121 | 137.4 Ų | 137.4 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | | | trans | -76.5 | 121.5 | 168.1 | 30.4 | -31.1 | 0 | 0 | 0 | 110 | | |
| 418 | V | 20.9 | Very low | 24.9 | Very low | 116 Ų | 116 | 140.1 Ų | 140.1 | 70% | 0.703 | 78% | 0.778 | S | S | * | * | | | trans | -113 | 118.4 | 173.7 | -179.9 | 0 | 0 | 0 | 0 | 109.3 | V416 V420 | V416-V418 HydrophobicContact CG1-CG2 4.03Å; V416-V418 PolarHBondContact O-N 3.03Å; V418-V420 HydrophobicContact CG1-CG2 4.07Å |
| 419 | T | 24.3 | Very low | 25 | Very low | 133 Ų | 133 | 142 Ų | 142 | 82% | 0.816 | 78% | 0.78 | S | S | * | * | | | trans | -100.6 | 122 | 176.9 | -46.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 420 | V | 21.4 | Very low | 25.1 | Very low | 114 Ų | 114 | 141.6 Ų | 141.6 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | | | trans | -117.2 | 117.5 | -179.5 | 179.9 | 0 | 0 | 0 | 0 | 110.5 | V418 | V418-V420 HydrophobicContact CG1-CG2 4.07Š|
| 421 | C | 24.5 | Very low | 25.3 | Very low | 124 Ų | 124 | 138.4 Ų | 138.4 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | | | trans | -107.4 | 110.5 | 171.1 | -69.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 422 | K | 22.3 | Very low | 25.4 | Very low | 182 Ų | 182 | 137.8 Ų | 137.8 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | | | trans | -94.2 | 149.3 | 161.7 | -71 | 172.2 | 178.5 | 165.8 | 0 | 108.9 | | |
| 423 | N | 28.2 | Very low | 25.5 | Very low | 175 Ų | 175 | 140.1 Ų | 140.1 | 94% | 0.936 | 78% | 0.775 | S | S | * | * | | | trans | -162.7 | 163.7 | 130.1 | -98.5 | -28.8 | 0 | 0 | 0 | 111.8 | | |
| 424 | K | 24.2 | Very low | 25.4 | Very low | 199 Ų | 199 | 136 Ų | 136 | 87% | 0.865 | 77% | 0.767 | S | S | * | * | | | trans | -127.1 | 140.3 | -169.3 | -61.2 | 175.2 | 176.7 | 179 | 0 | 112.7 | | |
| 425 | S | 25.8 | Very low | 25.3 | Very low | 108 Ų | 108 | 139.3 Ų | 139.3 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | | | trans | -179.4 | 134.1 | 141 | 42.4 | 0 | 0 | 0 | 0 | 108 | | |
| 426 | T | 24.2 | Very low | 25.3 | Very low | 125 Ų | 125 | 136.9 Ų | 136.9 | 77% | 0.767 | 77% | 0.773 | S | S | * | * | | | cis | 65.9 | 124.9 | 48.4 | 70.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 427 | C | 25.7 | Very low | 25.5 | Very low | 106 Ų | 106 | 140.3 Ų | 140.3 | 72% | 0.716 | 78% | 0.778 | S | S | * | * | | | cis | -138.3 | 141.2 | 18.9 | -59 | 0 | 0 | 0 | 0 | 110.9 | | |
| 428 | E | 25.7 | Very low | 25.5 | Very low | 165 Ų | 165 | 139.3 Ų | 139.3 | 77% | 0.771 | 77% | 0.773 | S | S | * | * | | | | 78.6 | 148.2 | 98.4 | -68.1 | -161 | 160.8 | 0 | 0 | 119.3 | | |
| 429 | N | 29.2 | Very low | 25.7 | Very low | 138 Ų | 138 | 141.9 Ų | 141.9 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | | | trans | 73.8 | 151.6 | 157.4 | -61.5 | -52.7 | 0 | 0 | 0 | 120.1 | | |
| 430 | S | 24.5 | Very low | 25.8 | Very low | 94 Ų | 94 | 141.1 Ų | 141.1 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | | | cis | -176.9 | 170.6 | -35 | -166.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 431 | L | 31.1 | Very low | 26 | Very low | 149 Ų | 149 | 147.1 Ų | 147.1 | 78% | 0.78 | 79% | 0.793 | S | S | * | * | | | trans | 68.6 | 112.7 | 169.5 | -51.4 | 178.2 | 0 | 0 | 0 | 115.9 | | |
| 432 | H | 26.7 | Very low | 26.2 | Very low | 160 Ų | 160 | 152.9 Ų | 152.9 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | | | | 60.3 | 107.1 | 80.7 | -87.3 | -98.1 | 0 | 0 | 0 | 115.3 | | |
| 433 | N | 29.1 | Very low | 26.3 | Very low | 162 Ų | 162 | 153 Ų | 153 | 87% | 0.866 | 80% | 0.797 | S | S | * | * | | | | -163.2 | 135.7 | 107.5 | -100.7 | -36.1 | 0 | 0 | 0 | 113.6 | | |
| 434 | T | 23.7 | Very low | 26.2 | Very low | 119 Ų | 119 | 153.6 Ų | 153.6 | 73% | 0.73 | 79% | 0.794 | S | S | * | * | | | trans | -82.2 | 140.9 | 166.4 | 44.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 435 | L | 27.9 | Very low | 26.3 | Very low | 162 Ų | 162 | 149.3 Ų | 149.3 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | | | trans | -177.2 | 111.8 | 131.4 | -100.1 | 162.5 | 0 | 0 | 0 | 113.7 | | |
| 436 | S | 24.6 | Very low | 26.2 | Very low | 96 Ų | 96 | 153.6 Ų | 153.6 | 67% | 0.671 | 80% | 0.795 | S | S | * | * | | | trans | 27.2 | 110.1 | 135 | -51.3 | 0 | 0 | 0 | 0 | 121.6 | | |
| 437 | K | 26.6 | Very low | 26.5 | Very low | 198 Ų | 198 | 153.6 Ų | 153.6 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | | | | 159.6 | 160.6 | 111.1 | -89 | 173 | -179.1 | 177.5 | 0 | 114 | | |
| 438 | S | 25.3 | Very low | 26.5 | Very low | 100 Ų | 100 | 153.4 Ų | 153.4 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | | | trans | 57.6 | 109.9 | 151.5 | 54.6 | 0 | 0 | 0 | 0 | 121.1 | | |
| 439 | L | 25.3 | Very low | 26.6 | Very low | 171 Ų | 171 | 155 Ų | 155 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | | | | 63.7 | 128.5 | 124.1 | -72.6 | 159.4 | 0 | 0 | 0 | 121.5 | | |
| 440 | S | 26.7 | Very low | 26.5 | Very low | 116 Ų | 116 | 156.3 Ų | 156.3 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | | | trans | 92.8 | 153.3 | 143.3 | -150.5 | 0 | 0 | 0 | 0 | 119.5 | | |
| 441 | R | 25.5 | Very low | 26.7 | Very low | 241 Ų | 241 | 157.7 Ų | 157.7 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | | | trans | -56.3 | 141.5 | -173.2 | -62.8 | 163.6 | 162.2 | 178.8 | -7 | 113.3 | | |
| 442 | R | 26.9 | Very low | 26.4 | Very low | 245 Ų | 245 | 153 Ų | 153 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | | | trans | -146.5 | 155.4 | 137.3 | -142.5 | 164.6 | -175 | 148.5 | 2.4 | 112.3 | | |
| 443 | K | 26.1 | Very low | 26.4 | Very low | 183 Ų | 183 | 153 Ų | 153 | 80% | 0.796 | 81% | 0.807 | S | S | * | * | | | trans | -95.5 | 178.9 | 179.6 | -61.3 | -178.8 | 175.4 | -176.8 | 0 | 110.7 | | |
| 444 | Q | 25.1 | Very low | 26.2 | Very low | 188 Ų | 188 | 150 Ų | 150 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | | | trans | 77.3 | 149.8 | 165.4 | -64.3 | 160 | -34.3 | 0 | 0 | 114 | | |
| 445 | S | 26.1 | Very low | 26.4 | Very low | 109 Ų | 109 | 151 Ų | 151 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | | | cis | -128.3 | 157.9 | 18.5 | 50.4 | 0 | 0 | 0 | 0 | 115.6 | | |
| 446 | F | 23.9 | Very low | 26.2 | Very low | 198 Ų | 198 | 148.8 Ų | 148.8 | 87% | 0.868 | 79% | 0.793 | S | S | * | * | | | trans | -80 | 138.6 | 153.9 | -78.3 | -97.3 | 0 | 0 | 0 | 109.1 | | |
| 447 | P | 31.5 | Very low | 26.1 | Very low | 125 Ų | 125 | 152.3 Ų | 152.3 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | | | trans | -87.4 | 98.7 | 156.7 | 32.3 | -26.8 | 0 | 0 | 0 | 109.3 | K449 | P447-K449 PolarHBondContact O-N 3.29Š|
| 448 | S | 25 | Very low | 25.9 | Very low | 103 Ų | 103 | 151.1 Ų | 151.1 | 72% | 0.72 | 80% | 0.8 | S | S | * | * | | | trans | -83.5 | 108.3 | 173.4 | 50.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 449 | K | 27.9 | Very low | 25.8 | Very low | 199 Ų | 199 | 154.5 Ų | 154.5 | 87% | 0.865 | 81% | 0.809 | S | S | * | * | | | trans | 177.2 | 124.9 | 148.2 | -100.2 | 158.5 | -174.8 | -173.9 | 0 | 111.1 | P447 | P447-K449 PolarHBondContact O-N 3.29Š|
| 450 | I | 27.9 | Very low | 25.7 | Very low | 164 Ų | 164 | 151.5 Ų | 151.5 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | | | trans | -91.8 | 131.4 | 157.9 | -63 | 169.2 | 0 | 0 | 0 | 105.9 | | |
| 451 | P | 28.2 | Very low | 25.5 | Very low | 124 Ų | 124 | 152.4 Ų | 152.4 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | | | | -119.1 | 155.8 | 107.3 | 35.8 | -33.6 | 0 | 0 | 0 | 110.1 | | |
| 452 | G | 24.8 | Very low | 25.5 | Very low | 51 Ų | 51 | 147 Ų | 147 | 53% | 0.526 | 79% | 0.794 | S | S | . | * | | | cis | 158.3 | 136.7 | 2.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 453 | D | 25.8 | Very low | 25.3 | Very low | 159 Ų | 159 | 145 Ų | 145 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | | | trans | 65.9 | 127 | 173.1 | -46.5 | -33.6 | 0 | 0 | 0 | 118.3 | | |
| 454 | S | 26.4 | Very low | 25.4 | Very low | 100 Ų | 100 | 142 Ų | 142 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | | | trans | 37.5 | 145.8 | 146 | 51.9 | 0 | 0 | 0 | 0 | 123.1 | | |
| 455 | D | 26.2 | Very low | 25.4 | Very low | 140 Ų | 140 | 139.2 Ų | 139.2 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | | | cis | -155.6 | 158.2 | -12.9 | -113.9 | -41 | 0 | 0 | 0 | 112.4 | | |
| 456 | T | 24.1 | Very low | 25.5 | Very low | 115 Ų | 115 | 141.7 Ų | 141.7 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | | | trans | 19.8 | 115 | 162.9 | 61.1 | 0 | 0 | 0 | 0 | 120.3 | | |
| 457 | I | 22.8 | Very low | 25.6 | Very low | 170 Ų | 170 | 143.8 Ų | 143.8 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | | | trans | -128 | 123.8 | 143.2 | -62.6 | -176.4 | 0 | 0 | 0 | 109.1 | | |
| 458 | Q | 22.5 | Very low | 25.5 | Very low | 173 Ų | 173 | 147.2 Ų | 147.2 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | | | trans | -86.2 | 155.7 | 177.9 | -56.4 | 170.3 | -2.1 | 0 | 0 | 111.4 | | |
| 459 | L | 22.9 | Very low | 25.6 | Very low | 170 Ų | 170 | 149 Ų | 149 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | | | trans | -147.9 | 156.2 | 143.8 | -84.6 | -166.7 | 0 | 0 | 0 | 110.3 | | |
| 460 | P | 23.5 | Very low | 25.8 | Very low | 109 Ų | 109 | 147.1 Ų | 147.1 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | | | trans | -98.3 | 158.8 | -148.4 | 36.7 | -37.9 | 0 | 0 | 0 | 116.3 | | |
| 461 | V | 23.1 | Very low | 25.9 | Very low | 134 Ų | 134 | 143.5 Ų | 143.5 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | | | trans | -103.2 | 125.7 | 162.5 | 178.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 462 | V | 25.5 | Very low | 25.8 | Very low | 128 Ų | 128 | 144 Ų | 144 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | trans | -104.4 | 124.4 | 177.7 | 176.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 463 | Y | 22.9 | Very low | 26 | Very low | 203 Ų | 203 | 148.8 Ų | 148.8 | 80% | 0.796 | 80% | 0.795 | S | S | * | * | | | trans | -75.9 | 149.5 | 172.6 | -84.3 | -98.6 | 0 | 0 | 0 | 111.8 | | |
| 464 | S | 27 | Very low | 26 | Very low | 120 Ų | 120 | 151.4 Ų | 151.4 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | | | trans | -147.4 | 116.1 | 152.9 | 46.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 465 | N | 25.3 | Very low | 26 | Very low | 130 Ų | 130 | 151.9 Ų | 151.9 | 70% | 0.695 | 80% | 0.803 | S | S | * | * | | | trans | -76.1 | 161.7 | 172.2 | -66.1 | -31.1 | 0 | 0 | 0 | 110 | | |
| 466 | N | 27.6 | Very low | 26.1 | Very low | 160 Ų | 160 | 152.4 Ų | 152.4 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | | | | -175.3 | 139.7 | 111.1 | -87.9 | -10.4 | 0 | 0 | 0 | 111.3 | | |
| 467 | R | 26.6 | Very low | 26.2 | Very low | 243 Ų | 243 | 155.4 Ų | 155.4 | 92% | 0.917 | 81% | 0.811 | S | S | * | * | | | trans | -88.3 | 160.7 | 158.7 | -71.2 | -175.4 | 175.6 | -167.7 | -1.3 | 108.7 | | |
| 468 | F | 28.8 | Very low | 26.3 | Very low | 196 Ų | 196 | 153.6 Ų | 153.6 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | | | trans | -74 | 145.6 | 166.9 | -92.1 | -98.2 | 0 | 0 | 0 | 111.4 | | |
| 469 | N | 28 | Very low | 26.5 | Very low | 142 Ų | 142 | 149.6 Ų | 149.6 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | | | trans | 8.1 | 132.2 | 157.9 | -52.5 | -2.1 | 0 | 0 | 0 | 118.9 | | |
| 470 | D | 31.9 | Very low | 26.7 | Very low | 158 Ų | 158 | 147.5 Ų | 147.5 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | | | | -146.2 | 173.7 | 112.3 | -137.2 | -33.4 | 0 | 0 | 0 | 112.1 | | |
| 471 | S | 30.1 | Very low | 27 | Very low | 89 Ų | 89 | 149.4 Ų | 149.4 | 62% | 0.622 | 79% | 0.786 | S | S | * | * | | | trans | -79.9 | 154.6 | -158.6 | -55.7 | 0 | 0 | 0 | 0 | 115.5 | I473 | S471-I473 PolarHBondContact O-N 2.81Å; S471-I473 VanDerWaalsContact O-N 3.15Å |
| 472 | P | 25.6 | Very low | 27.1 | Very low | 134 Ų | 134 | 150.4 Ų | 150.4 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | | | trans | -82.3 | 94.7 | -174.2 | 32.8 | -35.6 | 0 | 0 | 0 | 113.3 | | |
| 473 | I | 29 | Very low | 27.5 | Very low | 151 Ų | 151 | 154 Ų | 154 | 77% | 0.774 | 79% | 0.792 | S | S | * | * | | | trans | -97.5 | 124.2 | 168.2 | -63.4 | -179.2 | 0 | 0 | 0 | 110.2 | S471 S475 | S471-I473 PolarHBondContact O-N 2.81Å; S471-I473 VanDerWaalsContact O-N 3.15Å; I473-S475 PolarHBondContact O-N 3.2Å |
| 474 | K | 26.3 | Very low | 27.7 | Very low | 215 Ų | 215 | 147.6 Ų | 147.6 | 94% | 0.935 | 79% | 0.787 | S | S | * | * | | | trans | -75.5 | 101.1 | 170.5 | -68.4 | 177.4 | 179.5 | 175.8 | 0 | 109.9 | | |
| 475 | S | 26.7 | Very low | 27.9 | Very low | 110 Ų | 110 | 148.9 Ų | 148.9 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | | | trans | -110.3 | 109.7 | 161.9 | 56.4 | 0 | 0 | 0 | 0 | 109.5 | I473 | I473-S475 PolarHBondContact O-N 3.2Š|
| 476 | L | 28.1 | Very low | 28 | Very low | 150 Ų | 150 | 148.1 Ų | 148.1 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | | | trans | -54.3 | 140.3 | -176.2 | -164.2 | 73.4 | 0 | 0 | 0 | 112.5 | L478 | L476-L478 HydrophobicContact CD2-CG 4.38Å; L476-L478 PolarHBondContact O-N 2.69Å; L476-L478 VanDerWaalsContact O-N 3.09Å |
| 477 | E | 25.8 | Very low | 28.2 | Very low | 178 Ų | 178 | 147.4 Ų | 147.4 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | | | trans | -65.1 | 108.9 | 165.1 | -72.6 | -174.4 | 109.1 | 0 | 0 | 109.8 | | |
| 478 | L | 25.1 | Very low | 28.5 | Very low | 132 Ų | 132 | 142.1 Ų | 142.1 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | | | trans | -112.4 | 67 | 164.4 | -85.7 | 168 | 0 | 0 | 0 | 109.5 | L476 I480 | L476-L478 HydrophobicContact CD2-CG 4.38Å; L476-L478 PolarHBondContact O-N 2.69Å; L476-L478 VanDerWaalsContact O-N 3.09Å; L478-I480 HydrophobicContact CD2-CG1 4.43Å; L478-I480 PolarHBondContact O-N 3.26Å |
| 479 | S | 27 | Very low | 28.6 | Very low | 89 Ų | 89 | 138.2 Ų | 138.2 | 62% | 0.622 | 76% | 0.758 | S | S | * | * | | | trans | -71.9 | 67.4 | 169.3 | 44.9 | 0 | 0 | 0 | 0 | 110.8 | N481 | S479-N481 PolarHBondContact O-N 3.29Š|
| 480 | I | 26.6 | Very low | 28.8 | Very low | 127 Ų | 127 | 139.2 Ų | 139.2 | 65% | 0.651 | 76% | 0.758 | S | S | * | * | | | trans | -67 | 95.8 | 176 | -60.1 | 179.2 | 0 | 0 | 0 | 108.8 | L478 N482 | L478-I480 HydrophobicContact CD2-CG1 4.43Å; L478-I480 PolarHBondContact O-N 3.26Å; I480-N482 PolarHBondContact O-N 3.32Å |
| 481 | N | 29.3 | Very low | 28.8 | Very low | 148 Ų | 148 | 136.1 Ų | 136.1 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | | | trans | -68 | 94.1 | 173.8 | -80.6 | -55.4 | 0 | 0 | 0 | 110.1 | S479 K483 | S479-N481 PolarHBondContact O-N 3.29Å; N481-K483 PolarHBondContact O-N 3.15Å |
| 482 | N | 26.2 | Very low | 29.1 | Very low | 156 Ų | 156 | 137.7 Ų | 137.7 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | | | trans | -63.6 | 91.5 | 172.6 | -88.6 | -21.6 | 0 | 0 | 0 | 111.2 | I480 | I480-N482 PolarHBondContact O-N 3.32Š|
| 483 | K | 32.6 | Very low | 29.3 | Very low | 204 Ų | 204 | 135 Ų | 135 | 89% | 0.887 | 76% | 0.756 | S | S | * | * | | | trans | -139 | 112.9 | 164.4 | -87.4 | -168.8 | 175 | -179.4 | 0 | 111.3 | N481 | N481-K483 PolarHBondContact O-N 3.15Š|
| 484 | G | 28.8 | Very low | 29.5 | Very low | 68 Ų | 68 | 133.4 Ų | 133.4 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | | | trans | 103.5 | 117.2 | 150.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 485 | N | 30 | Very low | 29.5 | Very low | 147 Ų | 147 | 127 Ų | 127 | 79% | 0.786 | 74% | 0.74 | S | S | * | * | | | trans | 72.6 | 108 | 130.4 | -74.1 | 18 | 0 | 0 | 0 | 120.3 | | |
| 486 | T | 28.7 | Very low | 29.5 | Very low | 113 Ų | 113 | 132.1 Ų | 132.1 | 69% | 0.693 | 75% | 0.745 | S | S | * | * | | | | 57.7 | 117.6 | 122.4 | 61.2 | 0 | 0 | 0 | 0 | 117.5 | | |
| 487 | L | 31.7 | Very low | 29.5 | Very low | 145 Ų | 145 | 129.1 Ų | 129.1 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | | | cis | -168 | 160.7 | 42.3 | -100.3 | 132.9 | 0 | 0 | 0 | 112.5 | | |
| 488 | L | 33 | Very low | 29.6 | Very low | 132 Ų | 132 | 126.8 Ų | 126.8 | 69% | 0.691 | 75% | 0.745 | S | S | * | * | | | trans | 61.9 | 107.6 | 149 | -62.8 | 168 | 0 | 0 | 0 | 120.9 | | |
| 489 | N | 29.3 | Very low | 30 | Very low | 115 Ų | 115 | 124.5 Ų | 124.5 | 62% | 0.615 | 75% | 0.752 | S | S | * | * | | | | 91.4 | 129 | 115.6 | -74.4 | 25 | 0 | 0 | 0 | 122.7 | | |
| 490 | E | 32.4 | Very low | 30 | Very low | 162 Ų | 162 | 125.4 Ų | 125.4 | 76% | 0.757 | 76% | 0.759 | S | S | * | * | | | trans | 74 | 131.3 | 139.2 | -66 | 168.5 | -121.7 | 0 | 0 | 118.3 | | |
| 491 | S | 32.5 | Very low | 30.2 | Very low | 94 Ų | 94 | 125.3 Ų | 125.3 | 66% | 0.657 | 77% | 0.765 | S | S | * | * | | | cis | -159 | 157.9 | 0.6 | -112.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 492 | S | 36 | Very low | 30.3 | Very low | 122 Ų | 122 | 125.5 Ų | 125.5 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | | | trans | 65.5 | 136.7 | 170.3 | -54.8 | 0 | 0 | 0 | 0 | 116.8 | | |
| 493 | G | 31.2 | Very low | 30.6 | Very low | 76 Ų | 76 | 124.8 Ų | 124.8 | 78% | 0.784 | 76% | 0.761 | S | S | * | * | | | cis | 112.8 | 136.4 | 11.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 494 | S | 31.5 | Very low | 30.8 | Very low | 118 Ų | 118 | 121.8 Ų | 121.8 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | | | cis | -146.3 | 157.5 | 7.9 | -177.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 495 | S | 27.4 | Very low | 31.2 | Very low | 80 Ų | 80 | 124.3 Ų | 124.3 | 56% | 0.559 | 76% | 0.756 | S | S | * | * | | | trans | -78.3 | 162 | 164.1 | 48.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 496 | Y | 25.7 | Very low | 31.3 | Very low | 219 Ų | 219 | 121.8 Ų | 121.8 | 86% | 0.859 | 75% | 0.75 | S | S | * | * | | | | 155.1 | 157.7 | 120.4 | -88.5 | -67.6 | 0 | 0 | 0 | 115.3 | | |
| 497 | A | 29.5 | Very low | 31.6 | Very low | 86 Ų | 86 | 122.9 Ų | 122.9 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | | | trans | 68.9 | 107.2 | 151.3 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 498 | S | 27.6 | Very low | 31.7 | Very low | 130 Ų | 130 | 122.7 Ų | 122.7 | 91% | 0.909 | 75% | 0.747 | S | S | * | * | | | | 27.1 | 118.5 | 120.7 | -47.5 | 0 | 0 | 0 | 0 | 120.3 | | |
| 499 | G | 32.2 | Very low | 31.9 | Very low | 83 Ų | 83 | 124.9 Ų | 124.9 | 86% | 0.856 | 75% | 0.751 | S | S | * | * | | | trans | -155.6 | 124.2 | 161.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 500 | S | 27 | Very low | 31.8 | Very low | 108 Ų | 108 | 126.3 Ų | 126.3 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | | | trans | -102.8 | -177.1 | 171.7 | 58 | 0 | 0 | 0 | 0 | 110.9 | | |
| 501 | T | 32 | Very low | 31.9 | Very low | 126 Ų | 126 | 124.6 Ų | 124.6 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | | | trans | 70.9 | 119.6 | -175.5 | 62.4 | 0 | 0 | 0 | 0 | 112.9 | | |
| 502 | L | 30.3 | Very low | 31.6 | Very low | 151 Ų | 151 | 125.1 Ų | 125.1 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | | | | 92.4 | 149.8 | 54.6 | -92.2 | 169 | 0 | 0 | 0 | 112.3 | | |
| 503 | D | 33.8 | Very low | 31.3 | Very low | 142 Ų | 142 | 128.2 Ų | 128.2 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | | | trans | 68.6 | 137.7 | 168.9 | -54.6 | -8.7 | 0 | 0 | 0 | 116.9 | | |
| 504 | D | 35.9 | Very low | 31.2 | Very low | 140 Ų | 140 | 131.2 Ų | 131.2 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | | | cis | -163.9 | -177.7 | -20.7 | -156 | -6.3 | 0 | 0 | 0 | 109.9 | | |
| 505 | T | 36.7 | Very low | 30.8 | Very low | 121 Ų | 121 | 128.7 Ų | 128.7 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | | | trans | 73.2 | 122.4 | 169.3 | 63.7 | 0 | 0 | 0 | 0 | 117 | | |
| 506 | S | 34 | Very low | 31 | Very low | 94 Ų | 94 | 134.8 Ų | 134.8 | 66% | 0.657 | 77% | 0.769 | S | S | * | * | | | | 98.8 | 140.6 | 56.8 | 131.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 507 | D | 33.6 | Very low | 30.9 | Very low | 137 Ų | 137 | 131.1 Ų | 131.1 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | | | cis | -152.6 | 167.9 | 3.3 | -108.7 | -40.7 | 0 | 0 | 0 | 113.7 | | |
| 508 | E | 33.8 | Very low | 30.8 | Very low | 140 Ų | 140 | 132.6 Ų | 132.6 | 65% | 0.654 | 77% | 0.765 | S | S | * | * | | | trans | 30.3 | 124.2 | 157.4 | -63.2 | -170.1 | 173.6 | 0 | 0 | 121.7 | | |
| 509 | K | 37 | Very low | 30.8 | Very low | 178 Ų | 178 | 134.9 Ų | 134.9 | 77% | 0.774 | 76% | 0.764 | S | S | * | * | | | | -159.6 | 125.8 | 97.2 | -85.1 | -47.2 | 161.3 | -157.1 | 0 | 112.8 | | |
| 510 | D | 28.5 | Very low | 30.6 | Very low | 146 Ų | 146 | 141.3 Ų | 141.3 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | | | trans | -69.5 | 155 | 169.5 | -80.3 | -61 | 0 | 0 | 0 | 113 | | |
| 511 | S | 33.3 | Very low | 30.5 | Very low | 125 Ų | 125 | 141 Ų | 141 | 87% | 0.874 | 76% | 0.76 | S | S | * | * | | | trans | -151.3 | 93.8 | 158.7 | -78.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 512 | V | 26 | Very low | 30.3 | Very low | 105 Ų | 105 | 142.2 Ų | 142.2 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | | | trans | -96.1 | 130.8 | 179.2 | 174.8 | 0 | 0 | 0 | 0 | 110.6 | L514 | V512-L514 HydrophobicContact CG1-CD1 4.22Š|
| 513 | F | 30.3 | Very low | 30.3 | Very low | 188 Ų | 188 | 143.6 Ų | 143.6 | 83% | 0.825 | 76% | 0.757 | S | S | * | * | | | trans | -134 | 118.5 | 154.4 | -89.3 | -93.5 | 0 | 0 | 0 | 108 | | |
| 514 | L | 28.7 | Very low | 30 | Very low | 139 Ų | 139 | 147.8 Ų | 147.8 | 73% | 0.728 | 76% | 0.762 | S | S | * | * | | | | 53.4 | 115.7 | 77.9 | -83.5 | 70.3 | 0 | 0 | 0 | 112.2 | V512 | V512-L514 HydrophobicContact CG1-CD1 4.22Š|
| 515 | G | 24.5 | Very low | 29.8 | Very low | 65 Ų | 65 | 148.1 Ų | 148.1 | 67% | 0.67 | 76% | 0.763 | S | S | * | * | | | cis | 122.1 | 90.8 | -5.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 516 | F | 30.7 | Very low | 29.4 | Very low | 207 Ų | 207 | 149.3 Ų | 149.3 | 91% | 0.908 | 76% | 0.76 | S | S | * | * | | | trans | -137.6 | 89.5 | 169.2 | -80.4 | -67.3 | 0 | 0 | 0 | 112.5 | | |
| 517 | T | 24.4 | Very low | 29.1 | Very low | 142 Ų | 142 | 149.8 Ų | 149.8 | 87% | 0.871 | 76% | 0.763 | S | S | * | * | | | trans | -95.5 | 115.6 | 149.1 | 41.7 | 0 | 0 | 0 | 0 | 107.8 | | |
| 518 | D | 27.2 | Very low | 29.3 | Very low | 117 Ų | 117 | 148.1 Ų | 148.1 | 63% | 0.626 | 76% | 0.76 | S | S | * | * | | | trans | -115.5 | 124.5 | 165.3 | -164.7 | 9.9 | 0 | 0 | 0 | 111.3 | R520 | D518-R520 IonicContact OD1-NE 2.69Å; D518-R520 VanDerWaalsContact OD2-CD 3.27Å; D518-R520 WeakPolarHBondContact OD2-CD 3.2Å; D518-R520 IonicContact OD2-NE 3.2Å; D518-R520 PolarHBondContact OD2-NE 3.25Å |
| 519 | M | 26.4 | Very low | 29 | Very low | 179 Ų | 179 | 150.4 Ų | 150.4 | 88% | 0.882 | 77% | 0.77 | S | S | * | * | | | trans | -109.8 | 68.3 | -174.3 | -93.6 | -84.8 | -74.4 | 0 | 0 | 109.6 | S521 | M519-S521 PolarHBondContact O-N 3.24Š|
| 520 | R | 29.4 | Very low | 28.6 | Very low | 217 Ų | 217 | 145.2 Ų | 145.2 | 82% | 0.819 | 77% | 0.767 | S | S | * | * | | | trans | -99.2 | 90.6 | 178.8 | -78.7 | -179 | -172.4 | -114.2 | -5.1 | 113.8 | D518 | D518-R520 IonicContact OD1-NE 2.69Å; D518-R520 VanDerWaalsContact OD2-CD 3.27Å; D518-R520 WeakPolarHBondContact OD2-CD 3.2Å; D518-R520 IonicContact OD2-NE 3.2Å; D518-R520 PolarHBondContact OD2-NE 3.25Å |
| 521 | S | 24.8 | Very low | 28.6 | Very low | 102 Ų | 102 | 142.7 Ų | 142.7 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | | | trans | -72.4 | 150.7 | 160.8 | 63.1 | 0 | 0 | 0 | 0 | 112.1 | M519 | M519-S521 PolarHBondContact O-N 3.24Š|
| 522 | Q | 27.1 | Very low | 28.3 | Very low | 152 Ų | 152 | 141.6 Ų | 141.6 | 71% | 0.71 | 74% | 0.742 | S | S | * | * | | | | 173.6 | 156.7 | 121.3 | -96.6 | -174 | 28.3 | 0 | 0 | 114.5 | | |
| 523 | K | 30.3 | Very low | 28.6 | Very low | 179 Ų | 179 | 142.6 Ų | 142.6 | 78% | 0.778 | 75% | 0.749 | S | S | * | * | | | trans | 75.7 | 65 | 156.3 | -71.9 | 156.2 | -179 | 146.3 | 0 | 120 | | |
| 524 | R | 27.2 | Very low | 28.4 | Very low | 230 Ų | 230 | 135.3 Ų | 135.3 | 87% | 0.868 | 72% | 0.721 | S | S | * | * | | | trans | -62.8 | 131.2 | 138.4 | 172.2 | -163.4 | -164.7 | -179.3 | 7.7 | 111.1 | | |
| 525 | L | 31.7 | Very low | 28.6 | Very low | 147 Ų | 147 | 135.9 Ų | 135.9 | 77% | 0.77 | 72% | 0.724 | S | S | * | * | | | trans | -154.3 | 112.8 | 153.1 | -75 | -174.1 | 0 | 0 | 0 | 111.8 | | |
| 526 | H | 28.9 | Very low | 29 | Very low | 147 Ų | 147 | 137 Ų | 137 | 68% | 0.681 | 72% | 0.718 | S | S | * | * | | | trans | 39.9 | 127 | 150.2 | -53.4 | -72.3 | 0 | 0 | 0 | 121.7 | | |
| 527 | S | 28.5 | Very low | 29.1 | Very low | 104 Ų | 104 | 133.3 Ų | 133.3 | 73% | 0.727 | 71% | 0.708 | S | S | * | * | | | | 72.5 | 154.1 | 51.6 | -56 | 0 | 0 | 0 | 0 | 114.5 | | |
| 528 | P | 36.1 | Very low | 29.7 | Very low | 101 Ų | 101 | 131.9 Ų | 131.9 | 66% | 0.656 | 70% | 0.7 | S | S | * | * | | | cis | -142.8 | -142.7 | -32.8 | 38.1 | -16 | 0 | 0 | 0 | 112.2 | | |
| 529 | E | 28.6 | Very low | 29.9 | Very low | 188 Ų | 188 | 130.9 Ų | 130.9 | 88% | 0.879 | 70% | 0.703 | S | S | * | * | | | trans | 76 | 153.5 | 159.7 | -76.4 | 155 | -139.8 | 0 | 0 | 119.7 | | |
| 530 | G | 28.4 | Very low | 30.2 | Very low | 69 Ų | 69 | 128.3 Ų | 128.3 | 71% | 0.711 | 69% | 0.692 | S | S | * | * | | | trans | 155.7 | -16.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 531 | S | 28.8 | Very low | 30.5 | Very low | 93 Ų | 93 | 125.3 Ų | 125.3 | 65% | 0.65 | 69% | 0.688 | S | S | * | * | | | trans | 20.9 | 123.4 | 158.6 | 55.4 | 0 | 0 | 0 | 0 | 122.5 | | |
| 532 | E | 27.3 | Very low | 30.9 | Very low | 102 Ų | 102 | 126.6 Ų | 126.6 | 48% | 0.477 | 68% | 0.683 | S | S | . | * | | | trans | 72.8 | 138.5 | 140.5 | -63.3 | 160.2 | -108.3 | 0 | 0 | 118.7 | K276 | K276-E532 HydrophobicContact CB-CG 4.18Å; K276-E532 HydrophobicContact CD-CG 3.93Å; K276-E532 WeakPolarHBondContact CD-OE1 3.12Å; K276-E532 WeakPolarHBondContact CD-OE2 3.44Å; K276-E532 WeakPolarHBondContact CE-OE1 3.2Å; K276-E532 WeakPolarHBondContact CE-OE2 3.31Å; K276-E532 HydrophobicContact CG-CG 4.09Å; K276-E532 IonicContact NZ-OE1 2.68Å; K276-E532 PolarHBondContact NZ-OE1 3.02Å; K276-E532 IonicContact NZ-OE2 2.98Å; K276-E532 PolarHBondContact NZ-OE2 3.06Å |
| 533 | T | 30.4 | Very low | 31.2 | Very low | 127 Ų | 127 | 127 Ų | 127 | 78% | 0.779 | 68% | 0.682 | S | S | * | * | | | | -167 | 170.1 | 71.3 | 30.5 | 0 | 0 | 0 | 0 | 113 | N277 | N277-T533 VanDerWaalsContact OD1-C 3.23Å; N277-T533 PolarHBondContact OD1-O 3.49Å |
| 534 | S | 27.7 | Very low | 31.4 | Very low | 34 Ų | 34 | 125 Ų | 125 | 24% | 0.238 | 68% | 0.68 | C | S | . | * | | | trans | -131.1 | 159.5 | -171.5 | 41.3 | 0 | 0 | 0 | 0 | 114.1 | N277 A278 P279 | N277-S534 VanDerWaalsContact C-CB 3.41Å; N277-S534 WeakPolarHBondContact OD1-CB 3.46Å; A278-S534 VanDerWaalsContact C-OG 3.25Å; A278-S534 VanDerWaalsContact CA-OG 3.29Å; A278-S534 WeakPolarHBondContact CA-OG 3.44Å; A278-S534 PolarHBondContact N-OG 3.39Å; P279-S534 WeakPolarHBondContact CD-OG 3.36Å |
| 535 | L | 32.2 | Very low | 31.8 | Very low | 152 Ų | 152 | 123.3 Ų | 123.3 | 80% | 0.796 | 68% | 0.679 | S | S | * | * | | | trans | -104.1 | 130.7 | 169.6 | -74.2 | 157.2 | 0 | 0 | 0 | 108.3 | | |
| 536 | V | 32.5 | Very low | 31.9 | Very low | 88 Ų | 88 | 124.2 Ų | 124.2 | 53% | 0.533 | 68% | 0.679 | S | S | . | * | | | | 70.3 | 124.4 | 63.3 | 170.3 | 0 | 0 | 0 | 0 | 109.3 | P279 | P279-V536 HydrophobicContact CG-CB 4.48Å; P279-V536 HydrophobicContact CG-CG2 3.74Å; P279-V536 VanDerWaalsContact CG-N 3.26Å |
| 537 | N | 33.9 | Very low | 32.4 | Very low | 130 Ų | 130 | 124.2 Ų | 124.2 | 70% | 0.695 | 68% | 0.683 | S | S | * | * | | | cis | -152.9 | -154.6 | 9.5 | -130.8 | -14.4 | 0 | 0 | 0 | 107.2 | | |
| 538 | P | 35.8 | Very low | 32.7 | Very low | 111 Ų | 111 | 127.2 Ų | 127.2 | 72% | 0.721 | 68% | 0.683 | S | S | * | * | | | cis | -123.8 | -154.8 | -2.2 | 46.3 | -28.9 | 0 | 0 | 0 | 110.8 | | |
| 539 | S | 32 | Very low | 32.6 | Very low | 96 Ų | 96 | 128.9 Ų | 128.9 | 67% | 0.671 | 69% | 0.686 | S | S | * | * | | | cis | -156.6 | 142.1 | -3.9 | -162.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 540 | N | 33.1 | Very low | 32.8 | Very low | 125 Ų | 125 | 130.4 Ų | 130.4 | 67% | 0.668 | 68% | 0.684 | S | S | * | * | | | | 174.1 | 145.8 | 126.3 | -100 | -36.5 | 0 | 0 | 0 | 112.5 | | |
| 541 | Q | 34.9 | Very low | 33 | Very low | 154 Ų | 154 | 133.8 Ų | 133.8 | 72% | 0.72 | 69% | 0.685 | S | S | * | * | | | trans | 29.9 | 133.7 | 149.9 | -54.4 | -165.8 | 39.1 | 0 | 0 | 119.7 | | |
| 542 | Q | 33.9 | Very low | 33.2 | Very low | 130 Ų | 130 | 135.3 Ų | 135.3 | 61% | 0.607 | 69% | 0.69 | S | S | * | * | | | cis | -164 | 160.2 | 19.5 | -129.9 | 178.3 | 66.4 | 0 | 0 | 111.8 | | |
| 543 | K | 33.7 | Very low | 33.4 | Very low | 161 Ų | 161 | 135 Ų | 135 | 70% | 0.7 | 70% | 0.699 | S | S | * | * | | | trans | 64.1 | 105.3 | 153.9 | -72.4 | 164.9 | 178.7 | 152.5 | 0 | 121.3 | | |
| 544 | N | 33.4 | Very low | 33.4 | Very low | 137 Ų | 137 | 135.8 Ų | 135.8 | 73% | 0.733 | 70% | 0.698 | S | S | * | * | | | | 97.8 | 119 | 117.5 | -75.7 | -14.1 | 0 | 0 | 0 | 122.7 | | |
| 545 | K | 36.6 | Very low | 33.6 | Very low | 193 Ų | 193 | 141 Ų | 141 | 84% | 0.839 | 72% | 0.719 | S | S | * | * | | | trans | 67.2 | 150.4 | 150.4 | -60.8 | 176.5 | -179.8 | -178.5 | 0 | 118.6 | | |
| 546 | H | 34 | Very low | 33.6 | Very low | 166 Ų | 166 | 142.6 Ų | 142.6 | 77% | 0.769 | 72% | 0.716 | S | S | * | * | | | cis | -172.7 | 158.4 | -45.9 | -136.6 | -103.8 | 0 | 0 | 0 | 107.3 | | |
| 547 | L | 37.9 | Very low | 33.6 | Very low | 148 Ų | 148 | 145 Ų | 145 | 78% | 0.775 | 73% | 0.725 | S | S | * | * | | | trans | 69.2 | 162.1 | 167.3 | -54.9 | 146 | 0 | 0 | 0 | 116.6 | | |
| 548 | K | 36 | Very low | 33.4 | Very low | 166 Ų | 166 | 144.1 Ų | 144.1 | 72% | 0.722 | 73% | 0.725 | S | S | * | * | | | | -176.5 | 141.7 | -55.5 | -116.9 | -172.9 | 179.7 | 179.4 | 0 | 109 | | |
| 549 | N | 32.6 | Very low | 33.1 | Very low | 137 Ų | 137 | 144.2 Ų | 144.2 | 73% | 0.733 | 72% | 0.723 | S | S | * | * | | | trans | 66 | 170.4 | 163.4 | -46.7 | -18.9 | 0 | 0 | 0 | 114.1 | | |
| 550 | R | 33.2 | Very low | 33.1 | Very low | 219 Ų | 219 | 144.8 Ų | 144.8 | 83% | 0.826 | 73% | 0.727 | S | S | * | * | | | cis | -151.7 | 126.8 | -10.7 | -130.3 | 171.5 | 175.1 | 177.2 | -2.9 | 105.4 | | |
| 551 | I | 33.2 | Very low | 33.1 | Very low | 141 Ų | 141 | 143.6 Ų | 143.6 | 72% | 0.723 | 73% | 0.728 | S | S | * | * | | | | 58.6 | 132.1 | 98.7 | -52.3 | 176.3 | 0 | 0 | 0 | 116.2 | | |
| 552 | T | 32.5 | Very low | 33.1 | Very low | 124 Ų | 124 | 142.6 Ų | 142.6 | 76% | 0.761 | 73% | 0.733 | S | S | * | * | | | trans | 78.9 | 122.4 | 158.3 | 39.8 | 0 | 0 | 0 | 0 | 124.3 | | |
| 553 | S | 32.9 | Very low | 33.2 | Very low | 96 Ų | 96 | 141.4 Ų | 141.4 | 67% | 0.671 | 73% | 0.73 | S | S | * | * | | | | 69.6 | 112.2 | 127.8 | 70.3 | 0 | 0 | 0 | 0 | 123 | | |
| 554 | N | 30.4 | Very low | 33.3 | Very low | 143 Ų | 143 | 144.4 Ų | 144.4 | 77% | 0.765 | 74% | 0.737 | S | S | * | * | | | | 46.6 | 150.3 | 120.4 | -59.3 | 12.2 | 0 | 0 | 0 | 123.4 | | |
| 555 | H | 31.2 | Very low | 33.5 | Very low | 144 Ų | 144 | 141.3 Ų | 141.3 | 67% | 0.667 | 74% | 0.738 | S | S | * | * | | | trans | 99.8 | 120.9 | 142.7 | -84.6 | -65 | 0 | 0 | 0 | 120.7 | | |
| 556 | Y | 31.8 | Very low | 33.5 | Very low | 186 Ų | 186 | 141.5 Ų | 141.5 | 73% | 0.729 | 74% | 0.739 | S | S | * | * | | | trans | 73 | 140 | 144.3 | -76.6 | -59.1 | 0 | 0 | 0 | 121.2 | | |
| 557 | N | 32.4 | Very low | 33.3 | Very low | 138 Ų | 138 | 138.4 Ų | 138.4 | 74% | 0.738 | 74% | 0.736 | S | S | * | * | | | trans | 74.1 | 149.3 | 140 | -70.5 | -0.7 | 0 | 0 | 0 | 119.8 | | |
| 558 | V | 29.9 | Very low | 33.1 | Very low | 112 Ų | 112 | 136.7 Ų | 136.7 | 68% | 0.679 | 73% | 0.731 | S | S | * | * | | | cis | -163.4 | 161.9 | -25.2 | 78.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 559 | T | 30 | Very low | 32.8 | Very low | 113 Ų | 113 | 135 Ų | 135 | 69% | 0.693 | 73% | 0.73 | S | S | * | * | | | trans | 59.2 | 147.4 | 162.1 | 52.8 | 0 | 0 | 0 | 0 | 122.9 | | |
| 560 | S | 31.8 | Very low | 32.6 | Very low | 108 Ų | 108 | 137.1 Ų | 137.1 | 76% | 0.755 | 73% | 0.733 | S | S | * | * | | | trans | 70.7 | 144.3 | 142.5 | 49.3 | 0 | 0 | 0 | 0 | 120 | | |
| 561 | S | 33.4 | Very low | 32.3 | Very low | 99 Ų | 99 | 131.9 Ų | 131.9 | 69% | 0.692 | 73% | 0.73 | S | S | * | * | | | cis | -172.5 | 158.8 | -6.5 | 44.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 562 | V | 35.3 | Very low | 32.1 | Very low | 133 Ų | 133 | 130 Ų | 130 | 81% | 0.806 | 73% | 0.729 | S | S | * | * | | | trans | 71.6 | 140.6 | 152.1 | 160.7 | 0 | 0 | 0 | 0 | 115.6 | | |
| 563 | D | 34.5 | Very low | 31.7 | Very low | 105 Ų | 105 | 129.6 Ų | 129.6 | 56% | 0.561 | 73% | 0.731 | S | S | * | * | | | cis | -146.5 | 169.1 | 6.6 | -143.1 | -19.7 | 0 | 0 | 0 | 114.7 | | |
| 564 | R | 36.4 | Very low | 31.6 | Very low | 224 Ų | 224 | 136.9 Ų | 136.9 | 85% | 0.845 | 74% | 0.743 | S | S | * | * | | | trans | 33.8 | 128.9 | 153.6 | -75.9 | 150.1 | -143.6 | -153 | 4.7 | 122 | | |
| 565 | G | 37.4 | Very low | 31.5 | Very low | 72 Ų | 72 | 136 Ų | 136 | 74% | 0.742 | 74% | 0.744 | S | S | * | * | | | trans | -155.7 | -27.8 | 172 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 566 | K | 36.5 | Very low | 31.5 | Very low | 197 Ų | 197 | 137.2 Ų | 137.2 | 86% | 0.857 | 75% | 0.753 | S | S | * | * | | | trans | 66.3 | 122.9 | -171.3 | -57 | 177.2 | -179.5 | 178.1 | 0 | 113.6 | | |
| 567 | S | 29.3 | Very low | 31.3 | Very low | 102 Ų | 102 | 133.3 Ų | 133.3 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | | | | 64.9 | 128.2 | 56.8 | 84 | 0 | 0 | 0 | 0 | 112.4 | | |
| 568 | T | 34.3 | Very low | 31.5 | Very low | 111 Ų | 111 | 136 Ų | 136 | 68% | 0.681 | 76% | 0.758 | S | S | * | * | | | cis | -161.7 | 141.4 | 32.6 | 43.6 | 0 | 0 | 0 | 0 | 114.7 | | |
| 569 | N | 31.1 | Very low | 31.6 | Very low | 131 Ų | 131 | 138 Ų | 138 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | | | | 64.4 | 140.2 | 121.8 | -58.6 | -7.2 | 0 | 0 | 0 | 127.3 | | |
| 570 | F | 27.5 | Very low | 31.6 | Very low | 181 Ų | 181 | 140.1 Ų | 140.1 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | | | trans | 62.6 | 109.2 | 134.5 | -71.2 | -50.9 | 0 | 0 | 0 | 125.1 | | |
| 571 | S | 27 | Very low | 31.5 | Very low | 109 Ų | 109 | 141.1 Ų | 141.1 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | | | | 85.7 | 170 | 113.5 | 82.2 | 0 | 0 | 0 | 0 | 122.4 | | |
| 572 | S | 29.2 | Very low | 31.2 | Very low | 101 Ų | 101 | 145.7 Ų | 145.7 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | | | trans | 71.5 | 101.6 | 168.4 | -145.9 | 0 | 0 | 0 | 0 | 116.2 | | |
| 573 | C | 23.9 | Very low | 31.1 | Very low | 116 Ų | 116 | 150.9 Ų | 150.9 | 78% | 0.784 | 78% | 0.776 | S | S | * | * | | | | 70.3 | 104.8 | 64.7 | -60.8 | 0 | 0 | 0 | 0 | 115.2 | | |
| 574 | R | 31.3 | Very low | 30.7 | Very low | 249 Ų | 249 | 153.9 Ų | 153.9 | 94% | 0.94 | 78% | 0.781 | S | S | * | * | | | trans | -160.6 | 133.8 | 130.8 | -115.4 | 169.8 | -176.9 | 176.9 | 0.6 | 113.4 | | |
| 575 | T | 26.7 | Very low | 30.5 | Very low | 126 Ų | 126 | 155.1 Ų | 155.1 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | | | trans | -80.4 | 163 | 165.8 | 41.9 | 0 | 0 | 0 | 0 | 111 | | |
| 576 | I | 33 | Very low | 30 | Very low | 169 Ų | 169 | 157.6 Ų | 157.6 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | | | trans | -168.9 | 146.9 | 132.7 | -97.2 | 150.4 | 0 | 0 | 0 | 108.6 | | |
| 577 | S | 27.6 | Very low | 29.7 | Very low | 104 Ų | 104 | 153.4 Ų | 153.4 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | trans | -113.3 | 158.7 | -176 | 53.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 578 | K | 34.8 | Very low | 30 | Very low | 194 Ų | 194 | 156.6 Ų | 156.6 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | | | trans | -173.5 | 111.4 | 150.2 | -99.5 | 152.3 | -174.8 | -177.4 | 0 | 106.7 | | |
| 579 | Q | 33 | Very low | 29.7 | Very low | 153 Ų | 153 | 158.3 Ų | 158.3 | 72% | 0.715 | 78% | 0.783 | S | S | * | * | | | | 85.7 | 108.7 | 56.7 | -169.1 | 174.8 | 15.4 | 0 | 0 | 112.7 | | |
| 580 | E | 29 | Very low | 29.8 | Very low | 158 Ų | 158 | 158 Ų | 158 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | | | trans | 45.6 | 136.9 | 147.4 | -58 | 174.7 | 110.3 | 0 | 0 | 119.8 | | |
| 581 | T | 30.2 | Very low | 29.8 | Very low | 130 Ų | 130 | 154.4 Ų | 154.4 | 80% | 0.798 | 79% | 0.785 | S | S | * | * | | | | -166.1 | 145.9 | 77.9 | -62.9 | 0 | 0 | 0 | 0 | 112 | | |
| 582 | K | 28.1 | Very low | 30 | Very low | 194 Ų | 194 | 157.7 Ų | 157.7 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | | | trans | -78.8 | 140.8 | 174.9 | -60.7 | 166.7 | -176.6 | 165.1 | 0 | 111.7 | | |
| 583 | R | 32.2 | Very low | 30 | Very low | 242 Ų | 242 | 160.3 Ų | 160.3 | 91% | 0.913 | 80% | 0.798 | S | S | * | * | | | trans | -138.6 | 121.7 | 153.4 | -72.7 | -168 | 176.6 | -179.2 | -0.6 | 111 | | |
| 584 | Y | 25.8 | Very low | 30.4 | Very low | 168 Ų | 168 | 160 Ų | 160 | 66% | 0.659 | 80% | 0.795 | S | S | * | * | | | trans | -86.4 | 153.6 | 165.5 | -97.2 | -114.9 | 0 | 0 | 0 | 109.6 | K49 T586 | K49-Y584 PolarHBondContact NZ-OH 3.43Å; Y584-T586 HydrophobicContact CD1-CG2 4.37Å |
| 585 | R | 33.3 | Very low | 30.4 | Very low | 250 Ų | 250 | 154.8 Ų | 154.8 | 94% | 0.943 | 79% | 0.79 | S | S | * | * | | | trans | -141.3 | 137 | 150.5 | -100.5 | -170.2 | 172.6 | -175.3 | -2.9 | 109.5 | | |
| 586 | T | 26.7 | Very low | 30.4 | Very low | 124 Ų | 124 | 155.5 Ų | 155.5 | 76% | 0.761 | 79% | 0.789 | S | S | * | * | | | trans | -134.3 | 126.2 | -177.8 | 42.6 | 0 | 0 | 0 | 0 | 109.4 | Y584 | Y584-T586 HydrophobicContact CD1-CG2 4.37Š|
| 587 | S | 30.5 | Very low | 30.2 | Very low | 109 Ų | 109 | 151.8 Ų | 151.8 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | | | trans | -177.5 | 144.4 | 172.6 | 51.3 | 0 | 0 | 0 | 0 | 108.1 | | |
| 588 | K | 34.1 | Very low | 30.2 | Very low | 170 Ų | 170 | 156 Ų | 156 | 74% | 0.739 | 78% | 0.784 | S | S | * | * | | | cis | -157.2 | 131.1 | -10.3 | -110.1 | 179.6 | 175.7 | -100.5 | 0 | 104.2 | | |
| 589 | E | 29.7 | Very low | 29.7 | Very low | 146 Ų | 146 | 152.4 Ų | 152.4 | 68% | 0.682 | 78% | 0.78 | S | S | * | * | | | | 66.6 | 95.6 | 86.8 | -170.5 | 178 | -129.5 | 0 | 0 | 112.4 | | |
| 590 | S | 31.6 | Very low | 29.4 | Very low | 126 Ų | 126 | 153.4 Ų | 153.4 | 88% | 0.881 | 79% | 0.789 | S | S | * | * | | | trans | -154.1 | 99.7 | 164.3 | -85.3 | 0 | 0 | 0 | 0 | 108.1 | | |
| 591 | T | 27.9 | Very low | 29.3 | Very low | 104 Ų | 104 | 153 Ų | 153 | 64% | 0.638 | 79% | 0.792 | S | S | * | * | | | trans | -105.3 | 133.1 | -171 | -51.8 | 0 | 0 | 0 | 0 | 110.9 | L593 | T591-L593 HydrophobicContact CG2-CD1 4.29Å; T591-L593 HydrophobicContact CG2-CG 4.04Å |
| 592 | L | 31 | Very low | 29 | Very low | 178 Ų | 178 | 154.6 Ų | 154.6 | 93% | 0.932 | 80% | 0.795 | S | S | * | * | | | trans | -137.7 | 141.7 | 150.5 | -73.3 | -180 | 0 | 0 | 0 | 108.2 | | |
| 593 | L | 28.9 | Very low | 28.8 | Very low | 156 Ų | 156 | 152 Ų | 152 | 82% | 0.817 | 79% | 0.789 | S | S | * | * | | | trans | -117.9 | 162.4 | -168.9 | -83.6 | 171.4 | 0 | 0 | 0 | 111.9 | T591 | T591-L593 HydrophobicContact CG2-CD1 4.29Å; T591-L593 HydrophobicContact CG2-CG 4.04Å |
| 594 | P | 32.2 | Very low | 28.3 | Very low | 110 Ų | 110 | 145.6 Ų | 145.6 | 71% | 0.714 | 78% | 0.782 | S | S | * | * | | | trans | -95 | -178 | -163.6 | 39.5 | -38.3 | 0 | 0 | 0 | 114 | | |
| 595 | V | 31 | Very low | 28.2 | Very low | 139 Ų | 139 | 142.8 Ų | 142.8 | 84% | 0.842 | 78% | 0.781 | S | S | * | * | | | trans | -119.7 | 140.3 | 166.6 | -179.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 596 | N | 27.4 | Very low | 27.7 | Very low | 142 Ų | 142 | 136.4 Ų | 136.4 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | | | trans | -56.2 | 168 | -177.4 | -40.2 | -42.3 | 0 | 0 | 0 | 113.2 | | |
| 597 | S | 29 | Very low | 27.6 | Very low | 90 Ų | 90 | 138.4 Ų | 138.4 | 63% | 0.629 | 78% | 0.776 | S | S | * | * | | | cis | -156.6 | -177.3 | 18.6 | -31 | 0 | 0 | 0 | 0 | 109 | | |
| 598 | F | 27.1 | Very low | 27.4 | Very low | 193 Ų | 193 | 141 Ų | 141 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | | | cis | -148.5 | 163.5 | -0.7 | -94.3 | -58 | 0 | 0 | 0 | 108 | | |
| 599 | P | 25.6 | Very low | 26.9 | Very low | 118 Ų | 118 | 144.3 Ų | 144.3 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | | | trans | -91 | 142.8 | 172.2 | 35.3 | -31.1 | 0 | 0 | 0 | 113 | | |
| 600 | L | 26.9 | Very low | 26.8 | Very low | 174 Ų | 174 | 144.7 Ų | 144.7 | 91% | 0.911 | 79% | 0.79 | S | S | * | * | | | trans | -127.8 | 141.6 | 167.3 | -80.6 | 173.6 | 0 | 0 | 0 | 111.4 | | |
| 601 | L | 26.1 | Very low | 26.6 | Very low | 150 Ų | 150 | 144.7 Ų | 144.7 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | | | trans | -60.1 | 140.5 | -163.4 | -68.4 | 131.1 | 0 | 0 | 0 | 116.2 | I603 | L601-I603 VanDerWaalsContact C-N 3.34Å; L601-I603 HydrophobicContact CB-CG1 4.15Å; L601-I603 PolarHBondContact O-N 3.23Å |
| 602 | D | 24.3 | Very low | 26.6 | Very low | 164 Ų | 164 | 147.2 Ų | 147.2 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | | | trans | -65.6 | 84.7 | 159.5 | -81.4 | -49.1 | 0 | 0 | 0 | 110.9 | S604 | D602-S604 VanDerWaalsContact C-N 3.32Å; D602-S604 PolarHBondContact O-N 2.99Å |
| 603 | I | 22.9 | Very low | 26.5 | Very low | 140 Ų | 140 | 146 Ų | 146 | 72% | 0.718 | 78% | 0.782 | S | S | * | * | | | trans | -77.2 | 83.7 | 175.7 | -49.8 | -176 | 0 | 0 | 0 | 110.2 | L601 V605 | L601-I603 VanDerWaalsContact C-N 3.34Å; L601-I603 HydrophobicContact CB-CG1 4.15Å; L601-I603 PolarHBondContact O-N 3.23Å; I603-V605 HydrophobicContact CG2-CG2 3.74Å; I603-V605 PolarHBondContact O-N 2.95Å; I603-V605 VanDerWaalsContact O-N 3.07Å |
| 604 | S | 23.2 | Very low | 26.7 | Very low | 107 Ų | 107 | 143.6 Ų | 143.6 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | trans | -78.1 | 83 | 173.8 | 40.3 | 0 | 0 | 0 | 0 | 111.6 | D602 T606 | D602-S604 VanDerWaalsContact C-N 3.32Å; D602-S604 PolarHBondContact O-N 2.99Å; S604-T606 PolarHBondContact O-N 3.12Å |
| 605 | V | 22.7 | Very low | 26.5 | Very low | 108 Ų | 108 | 148 Ų | 148 | 66% | 0.655 | 79% | 0.787 | S | S | * | * | | | trans | -72.5 | 95.1 | 177.5 | -171.6 | 0 | 0 | 0 | 0 | 111.3 | I603 L607 | I603-V605 HydrophobicContact CG2-CG2 3.74Å; I603-V605 PolarHBondContact O-N 2.95Å; I603-V605 VanDerWaalsContact O-N 3.07Å; V605-L607 HydrophobicContact CG1-CD2 4.24Å; V605-L607 HydrophobicContact CG1-CG 4.21Å; V605-L607 PolarHBondContact O-N 3.27Å |
| 606 | T | 22.6 | Very low | 26.4 | Very low | 117 Ų | 117 | 146.3 Ų | 146.3 | 72% | 0.718 | 78% | 0.78 | S | S | * | * | | | trans | -75.3 | 100.4 | 163.3 | 48.6 | 0 | 0 | 0 | 0 | 110.1 | S604 E608 | S604-T606 PolarHBondContact O-N 3.12Å; T606-E608 VanDerWaalsContact C-N 3.26Å; T606-E608 PolarHBondContact O-N 2.68Å |
| 607 | L | 25.3 | Very low | 26.5 | Very low | 166 Ų | 166 | 144.2 Ų | 144.2 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | | | trans | -72.9 | 83.7 | 166.4 | -72.9 | 176.4 | 0 | 0 | 0 | 110.1 | V605 | V605-L607 HydrophobicContact CG1-CD2 4.24Å; V605-L607 HydrophobicContact CG1-CG 4.21Å; V605-L607 PolarHBondContact O-N 3.27Å |
| 608 | E | 25.7 | Very low | 26.7 | Very low | 163 Ų | 163 | 149 Ų | 149 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | | | trans | -63.7 | 155.2 | 160.8 | -71.9 | -163 | 113.5 | 0 | 0 | 110.9 | T606 L610 | T606-E608 VanDerWaalsContact C-N 3.26Å; T606-E608 PolarHBondContact O-N 2.68Å; E608-L610 PolarHBondContact O-N 2.93Å |
| 609 | R | 24 | Very low | 27 | Very low | 239 Ų | 239 | 145.7 Ų | 145.7 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | | | trans | -77.4 | 86.2 | 175.5 | -77.7 | 175.9 | 161.6 | 167.3 | -8.4 | 110.3 | N611 | R609-N611 PolarHBondContact O-N 3.39Š|
| 610 | L | 28.3 | Very low | 27.2 | Very low | 155 Ų | 155 | 147.4 Ų | 147.4 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | | | trans | -72.8 | 82.2 | 160.9 | -72.5 | 172.8 | 0 | 0 | 0 | 109.8 | E608 | E608-L610 PolarHBondContact O-N 2.93Š|
| 611 | N | 26.4 | Very low | 27.6 | Very low | 125 Ų | 125 | 145 Ų | 145 | 67% | 0.668 | 78% | 0.784 | S | S | * | * | | | trans | -69.1 | 170.2 | 141.2 | -68.4 | 3.5 | 0 | 0 | 0 | 108.4 | R609 | R609-N611 PolarHBondContact O-N 3.39Š|
| 612 | D | 28.5 | Very low | 27.8 | Very low | 157 Ų | 157 | 145.4 Ų | 145.4 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | | | trans | 71.6 | 69.7 | 167.5 | -48 | -18.5 | 0 | 0 | 0 | 116.5 | | |
| 613 | I | 28.3 | Very low | 28.1 | Very low | 154 Ų | 154 | 142.8 Ų | 142.8 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | | | trans | -123.3 | 135.6 | 150 | -66.8 | -176.1 | 0 | 0 | 0 | 106.1 | | |
| 614 | P | 32.6 | Very low | 28.5 | Very low | 105 Ų | 105 | 141.2 Ų | 141.2 | 68% | 0.682 | 78% | 0.783 | S | S | * | * | | | trans | -84.1 | 161.7 | -138.8 | 30.8 | -37.9 | 0 | 0 | 0 | 116.6 | C616 | P614-C616 VanDerWaalsContact C-N 3.34Å; P614-C616 PolarHBondContact O-N 3.14Å |
| 615 | E | 28.2 | Very low | 28.7 | Very low | 201 Ų | 201 | 143.1 Ų | 143.1 | 94% | 0.939 | 78% | 0.784 | S | S | * | * | | | trans | -63.2 | 89.1 | 163.1 | -68.5 | -175.7 | 124.1 | 0 | 0 | 110.6 | S617 | E615-S617 VanDerWaalsContact C-N 3.35Å; E615-S617 PolarHBondContact O-N 2.99Å |
| 616 | C | 29.1 | Very low | 29 | Very low | 105 Ų | 105 | 144.7 Ų | 144.7 | 71% | 0.709 | 79% | 0.787 | S | S | * | * | | | trans | -72.6 | 91.6 | 164.1 | -76.9 | 0 | 0 | 0 | 0 | 109.4 | P614 H618 | P614-C616 VanDerWaalsContact C-N 3.34Å; P614-C616 PolarHBondContact O-N 3.14Å; C616-H618 PolarHBondContact O-N 3.09Å |
| 617 | S | 29.9 | Very low | 29.2 | Very low | 97 Ų | 97 | 145.7 Ų | 145.7 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | | | trans | -60.5 | 114.7 | 168.9 | 56.7 | 0 | 0 | 0 | 0 | 109.7 | E615 T619 | E615-S617 VanDerWaalsContact C-N 3.35Å; E615-S617 PolarHBondContact O-N 2.99Å; S617-T619 PolarHBondContact O-N 2.77Å |
| 618 | H | 32.2 | Very low | 29.3 | Very low | 192 Ų | 192 | 144.5 Ų | 144.5 | 89% | 0.889 | 78% | 0.781 | S | S | * | * | | | trans | -66.8 | 97.4 | 173.1 | -73.2 | -76.1 | 0 | 0 | 0 | 110.1 | C616 | C616-H618 PolarHBondContact O-N 3.09Š|
| 619 | T | 33.6 | Very low | 29.2 | Very low | 122 Ų | 122 | 141.9 Ų | 141.9 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | | | trans | -89.2 | 137.3 | 159.1 | 50.3 | 0 | 0 | 0 | 0 | 108.9 | S617 | S617-T619 PolarHBondContact O-N 2.77Š|
| 620 | D | 31.1 | Very low | 29.4 | Very low | 155 Ų | 155 | 135.3 Ų | 135.3 | 83% | 0.829 | 77% | 0.771 | S | S | * | * | | | trans | -60.6 | 140.1 | -178.1 | -46.9 | -88 | 0 | 0 | 0 | 113 | | |
| 621 | S | 34.2 | Very low | 29.4 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | | | trans | -167.4 | 130.9 | 148.2 | -79.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 622 | D | 31.1 | Very low | 29.7 | Very low | 159 Ų | 159 | 134 Ų | 134 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | | | trans | -65.8 | 152.8 | 174.3 | -61.1 | -81.4 | 0 | 0 | 0 | 112.6 | | |
| 623 | S | 30.1 | Very low | 30 | Very low | 109 Ų | 109 | 130.9 Ų | 130.9 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | | | | 143.3 | 160 | 121.9 | 66.5 | 0 | 0 | 0 | 0 | 114.9 | | |
| 624 | S | 31.2 | Very low | 30.2 | Very low | 107 Ų | 107 | 132.7 Ų | 132.7 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | trans | 67.9 | 115.5 | 170.4 | 70.8 | 0 | 0 | 0 | 0 | 117.8 | | |
| 625 | I | 27 | Very low | 30 | Very low | 148 Ų | 148 | 133 Ų | 133 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | | | trans | -77.3 | 131.4 | 168.4 | -64.7 | 161.8 | 0 | 0 | 0 | 108.6 | | |
| 626 | I | 29 | Very low | 30.3 | Very low | 140 Ų | 140 | 129.3 Ų | 129.3 | 72% | 0.718 | 78% | 0.775 | S | S | * | * | | | trans | -114.6 | 99.3 | 161.4 | -56.8 | -178.3 | 0 | 0 | 0 | 108.2 | I628 | I626-I628 HydrophobicContact CG2-CD1 4.34Å; I626-I628 HydrophobicContact CG2-CG1 3.89Å; I626-I628 PolarHBondContact O-N 3.3Å |
| 627 | N | 26.7 | Very low | 30.5 | Very low | 139 Ų | 139 | 134.2 Ų | 134.2 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | | | trans | -75.2 | 115.9 | 168 | -86.7 | -15.4 | 0 | 0 | 0 | 109.1 | | |
| 628 | I | 28.7 | Very low | 30.7 | Very low | 140 Ų | 140 | 137.6 Ų | 137.6 | 72% | 0.718 | 79% | 0.786 | S | S | * | * | | | trans | -107 | 79 | 165.5 | -50 | -176.2 | 0 | 0 | 0 | 108.6 | I626 | I626-I628 HydrophobicContact CG2-CD1 4.34Å; I626-I628 HydrophobicContact CG2-CG1 3.89Å; I626-I628 PolarHBondContact O-N 3.3Å |
| 629 | S | 24.1 | Very low | 30.8 | Very low | 109 Ų | 109 | 135.2 Ų | 135.2 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | | | trans | -73.3 | 120.7 | 161.8 | -61.2 | 0 | 0 | 0 | 0 | 108 | | |
| 630 | S | 28.2 | Very low | 30.8 | Very low | 100 Ų | 100 | 133.3 Ų | 133.3 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | | | trans | -139 | 86.4 | 176.7 | -72.4 | 0 | 0 | 0 | 0 | 110.3 | S632 | S630-S632 PolarHBondContact O-N 3.25Š|
| 631 | T | 28 | Very low | 31.1 | Very low | 130 Ų | 130 | 134.8 Ų | 134.8 | 80% | 0.798 | 78% | 0.778 | S | S | * | * | | | trans | -72.2 | 102.8 | 172.2 | 46.1 | 0 | 0 | 0 | 0 | 110.2 | S633 | T631-S633 VanDerWaalsContact C-N 3.26Å; T631-S633 PolarHBondContact O-N 2.98Å; T631-S633 VanDerWaalsContact O-N 3.16Å |
| 632 | S | 32.1 | Very low | 31 | Very low | 122 Ų | 122 | 137.7 Ų | 137.7 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | | | trans | -85.8 | 65.2 | 168.9 | 61.7 | 0 | 0 | 0 | 0 | 110.9 | S630 E634 | S630-S632 PolarHBondContact O-N 3.25Å; S632-E634 PolarHBondContact O-N 2.85Å |
| 633 | S | 34.6 | Very low | 31.1 | Very low | 93 Ų | 93 | 138.9 Ų | 138.9 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | | | trans | -87.5 | 94 | 168.5 | 55.7 | 0 | 0 | 0 | 0 | 109.3 | T631 | T631-S633 VanDerWaalsContact C-N 3.26Å; T631-S633 PolarHBondContact O-N 2.98Å; T631-S633 VanDerWaalsContact O-N 3.16Å |
| 634 | E | 32.4 | Very low | 31.2 | Very low | 192 Ų | 192 | 139.5 Ų | 139.5 | 90% | 0.897 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -68 | 133.5 | 170.2 | -68.7 | -169 | 121.5 | 0 | 0 | 110.1 | S632 | S632-E634 PolarHBondContact O-N 2.85Š|
| 635 | C | 29 | Very low | 31.3 | Very low | 110 Ų | 110 | 139 Ų | 139 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 126.3 | -168.3 | -54.8 | 0 | 0 | 0 | 0 | 112 | | |
| 636 | S | 33.7 | Very low | 31.7 | Very low | 125 Ų | 125 | 137 Ų | 137 | 87% | 0.874 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 133.2 | 156.5 | 50.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 637 | Y | 34 | Very low | 32.1 | Very low | 207 Ų | 207 | 138.8 Ų | 138.8 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | | | trans | -119.2 | 144.1 | 179.9 | -122.8 | -76.5 | 0 | 0 | 0 | 110.3 | | |
| 638 | Q | 34.6 | Very low | 32.5 | Very low | 169 Ų | 169 | 138.4 Ų | 138.4 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | | | trans | 80.3 | 139.3 | 166.1 | -57.9 | -164.2 | -37.8 | 0 | 0 | 120.2 | | |
| 639 | D | 33.3 | Very low | 32.9 | Very low | 141 Ų | 141 | 139.9 Ų | 139.9 | 75% | 0.754 | 75% | 0.753 | S | S | * | * | | | trans | 75.6 | 82.5 | 141.6 | -67.4 | 16 | 0 | 0 | 0 | 122.8 | | |
| 640 | A | 34.4 | Very low | 33.5 | Very low | 82 Ų | 82 | 141.8 Ų | 141.8 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | | | | 106.9 | 154.2 | 97.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 641 | Q | 36.3 | Very low | 33.9 | Very low | 186 Ų | 186 | 142 Ų | 142 | 87% | 0.869 | 75% | 0.753 | S | S | * | * | | | trans | 69 | 146.3 | 175.6 | -52.1 | -167.9 | 34.8 | 0 | 0 | 116 | | |
| 642 | R | 32.4 | Very low | 34.2 | Very low | 184 Ų | 184 | 144.3 Ų | 144.3 | 69% | 0.694 | 76% | 0.755 | S | S | * | * | | | cis | -173 | 141.6 | -37.5 | -122.7 | -165.6 | 174.3 | -158.6 | 0.4 | 106.1 | | |
| 643 | W | 34.2 | Very low | 34.4 | Very low | 184 Ų | 184 | 143.6 Ų | 143.6 | 70% | 0.697 | 75% | 0.751 | S | S | * | * | | | trans | 69.7 | 114.6 | 149 | -68.6 | 20.8 | 0 | 0 | 0 | 117.3 | | |
| 644 | T | 32.1 | Very low | 34.6 | Very low | 122 Ų | 122 | 150.3 Ų | 150.3 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | | | | 73.6 | 139.3 | 106.9 | 72.3 | 0 | 0 | 0 | 0 | 115.2 | | |
| 645 | S | 32.8 | Very low | 34.8 | Very low | 95 Ų | 95 | 150 Ų | 150 | 66% | 0.664 | 76% | 0.757 | S | S | * | * | | | cis | -162.9 | 178.7 | 14 | -147.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 646 | D | 34.5 | Very low | 35.1 | Very low | 108 Ų | 108 | 151.6 Ų | 151.6 | 58% | 0.578 | 75% | 0.754 | S | S | * | * | | | trans | 78.7 | 124.8 | 142.5 | -84 | 37.7 | 0 | 0 | 0 | 122.7 | | |
| 647 | K | 37.4 | Very low | 35.1 | Very low | 176 Ų | 176 | 153.3 Ų | 153.3 | 77% | 0.765 | 75% | 0.748 | S | S | * | * | | | trans | 77.4 | 144.3 | 143.4 | -63.4 | 168.6 | 179 | 129.8 | 0 | 117.7 | | |
| 648 | L | 36.2 | Very low | 35.2 | Very low | 131 Ų | 131 | 152.7 Ų | 152.7 | 69% | 0.686 | 76% | 0.755 | S | S | * | * | | | cis | -150.2 | 152 | 1.1 | -154.9 | 66.5 | 0 | 0 | 0 | 112 | | |
| 649 | E | 36.2 | Very low | 35.2 | Very low | 171 Ų | 171 | 153.7 Ų | 153.7 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | | | trans | 39.1 | 137.2 | 153.5 | -75.5 | 168.5 | 142.1 | 0 | 0 | 124.3 | | |
| 650 | N | 36 | Very low | 35.4 | Very low | 149 Ų | 149 | 154.7 Ų | 154.7 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | | | trans | -139.1 | 135.6 | 157.9 | 169.3 | 23.2 | 0 | 0 | 0 | 106.8 | | |
| 651 | P | 36.7 | Very low | 35.4 | Very low | 104 Ų | 104 | 153.7 Ų | 153.7 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | | | trans | -147.3 | 141.7 | 133.9 | 34 | -16.7 | 0 | 0 | 0 | 117.3 | | |
| 652 | E | 35 | Very low | 35.3 | Very low | 180 Ų | 180 | 155.1 Ų | 155.1 | 84% | 0.841 | 76% | 0.763 | S | S | * | * | | | trans | 47 | 132.5 | 137.8 | -55.7 | -167 | 148.1 | 0 | 0 | 123.2 | | |
| 653 | S | 37.3 | Very low | 35.3 | Very low | 107 Ų | 107 | 152 Ų | 152 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | | | | -173.9 | 140.6 | 119.5 | 40.9 | 0 | 0 | 0 | 0 | 115.6 | | |
| 654 | R | 38.3 | Very low | 35.3 | Very low | 233 Ų | 233 | 151.4 Ų | 151.4 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | | | trans | 62.2 | 130.7 | 160.6 | -64.4 | 167.8 | 174 | 158.2 | -2.3 | 118.1 | | |
| 655 | K | 35.9 | Very low | 35.3 | Very low | 186 Ų | 186 | 150 Ų | 150 | 81% | 0.809 | 77% | 0.774 | S | S | * | * | | | cis | 90.5 | 151 | 27.2 | -66.4 | -166 | 173.7 | -175.3 | 0 | 116.5 | | |
| 656 | Q | 35.5 | Very low | 35.4 | Very low | 144 Ų | 144 | 153.1 Ų | 153.1 | 67% | 0.673 | 78% | 0.778 | S | S | * | * | | | trans | 67.9 | 115 | -176.3 | -89.8 | 50.7 | 55.5 | 0 | 0 | 113.9 | | |
| 657 | E | 33.4 | Very low | 35.5 | Very low | 161 Ų | 161 | 154 Ų | 154 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | | | | 77.7 | 118.4 | 60.7 | -74.2 | -173 | 118.9 | 0 | 0 | 114.9 | | |
| 658 | M | 36.5 | Very low | 35.3 | Very low | 193 Ų | 193 | 152.3 Ų | 152.3 | 95% | 0.951 | 78% | 0.777 | S | S | * | * | | | | -172.6 | 163.4 | 116.6 | -100 | 175.3 | -176.5 | 0 | 0 | 112.1 | | |
| 659 | K | 35.7 | Very low | 35.3 | Very low | 191 Ų | 191 | 156.2 Ų | 156.2 | 83% | 0.83 | 79% | 0.789 | S | S | * | * | | | trans | -108.4 | 172.3 | 174.5 | -76.7 | -179.6 | 176.1 | 176.6 | 0 | 110.5 | | |
| 660 | D | 35.7 | Very low | 35.3 | Very low | 162 Ų | 162 | 156.5 Ų | 156.5 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | | | trans | 121.7 | 139.7 | 159.4 | -62.8 | -12.6 | 0 | 0 | 0 | 112.5 | | |
| 661 | G | 35.8 | Very low | 35.2 | Very low | 60 Ų | 60 | 160.9 Ų | 160.9 | 62% | 0.619 | 79% | 0.793 | S | S | * | * | | | cis | -180 | -175.9 | -4.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 662 | F | 34.3 | Very low | 35.1 | Very low | 217 Ų | 217 | 160.2 Ų | 160.2 | 95% | 0.952 | 79% | 0.79 | S | S | * | * | | | trans | 72.2 | 114.8 | 167.8 | -60.7 | -80.5 | 0 | 0 | 0 | 120.4 | | |
| 663 | S | 32.2 | Very low | 35.2 | Very low | 117 Ų | 117 | 160.1 Ų | 160.1 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -86.4 | 167.8 | 165.2 | -30.4 | 0 | 0 | 0 | 0 | 112 | | |
| 664 | L | 35 | Very low | 35.1 | Very low | 172 Ų | 172 | 158.1 Ų | 158.1 | 90% | 0.901 | 79% | 0.786 | S | S | * | * | | | trans | -156 | 166.3 | 139.2 | -109.3 | 169.6 | 0 | 0 | 0 | 110.8 | | |
| 665 | S | 30.9 | Very low | 35 | Very low | 92 Ų | 92 | 154.3 Ų | 154.3 | 64% | 0.643 | 78% | 0.783 | S | S | * | * | | | trans | -131.5 | -178.1 | -161 | 59.5 | 0 | 0 | 0 | 0 | 113.8 | | |
| 666 | H | 34.6 | Very low | 34.9 | Very low | 161 Ų | 161 | 151.2 Ų | 151.2 | 75% | 0.745 | 78% | 0.78 | S | S | * | * | | | trans | 107.7 | 138.5 | 176 | -66.4 | 83 | 0 | 0 | 0 | 114.6 | | |
| 667 | D | 36.9 | Very low | 35.1 | Very low | 126 Ų | 126 | 152.1 Ų | 152.1 | 67% | 0.674 | 79% | 0.789 | S | S | * | * | | | cis | -157.9 | 172.9 | -20.7 | -132.1 | 8.6 | 0 | 0 | 0 | 114.8 | | |
| 668 | H | 33.2 | Very low | 35.3 | Very low | 142 Ų | 142 | 148.8 Ų | 148.8 | 66% | 0.657 | 78% | 0.783 | S | S | * | * | | | trans | -20.9 | 141.5 | 165.1 | -74.5 | -94.2 | 0 | 0 | 0 | 119.1 | | |
| 669 | F | 36.6 | Very low | 35.4 | Very low | 213 Ų | 213 | 144.7 Ų | 144.7 | 93% | 0.934 | 77% | 0.765 | S | S | * | * | | | | -158.1 | 150.4 | 105.6 | -112.7 | -76.7 | 0 | 0 | 0 | 112.8 | | |
| 670 | K | 35.5 | Very low | 35.7 | Very low | 177 Ų | 177 | 143.4 Ų | 143.4 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | | | trans | -109.6 | 148.2 | 179.7 | -66.7 | -177.1 | 176.6 | -176.4 | 0 | 111.8 | | |
| 671 | R | 33.5 | Very low | 35.8 | Very low | 241 Ų | 241 | 142.7 Ų | 142.7 | 91% | 0.909 | 75% | 0.751 | S | S | * | * | | | trans | 157.4 | 156 | 141.7 | -91.1 | 167.1 | 175.2 | -175.4 | -1.2 | 110.3 | | |
| 672 | S | 36.2 | Very low | 35.9 | Very low | 89 Ų | 89 | 146 Ų | 146 | 62% | 0.622 | 75% | 0.754 | S | S | * | * | | | cis | -168 | -160.9 | -25.8 | 55.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 673 | E | 37.2 | Very low | 35.8 | Very low | 179 Ų | 179 | 144.5 Ų | 144.5 | 84% | 0.836 | 75% | 0.747 | S | S | * | * | | | trans | -40.5 | 159 | 179.4 | -56.1 | 99.9 | 170 | 0 | 0 | 115.8 | | |
| 674 | G | 33.5 | Very low | 36.1 | Very low | 65 Ų | 65 | 146.9 Ų | 146.9 | 67% | 0.67 | 75% | 0.75 | S | S | * | * | | | cis | 163.4 | -161 | 14.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 675 | D | 36.7 | Very low | 35.9 | Very low | 152 Ų | 152 | 145.7 Ų | 145.7 | 81% | 0.813 | 74% | 0.74 | S | S | * | * | | | trans | 55.3 | 111.8 | 172.8 | -59.5 | -32.3 | 0 | 0 | 0 | 117.3 | | |
| 676 | T | 33.7 | Very low | 36 | Very low | 121 Ų | 121 | 147.9 Ų | 147.9 | 74% | 0.742 | 74% | 0.739 | S | S | * | * | | | cis | 66.7 | 114.6 | 46.7 | 91.3 | 0 | 0 | 0 | 0 | 115 | | |
| 677 | L | 39.9 | Very low | 36 | Very low | 164 Ų | 164 | 147.1 Ų | 147.1 | 86% | 0.859 | 74% | 0.741 | S | S | * | * | | | trans | 179.1 | 122.6 | 148.6 | -91.5 | 162.9 | 0 | 0 | 0 | 104.4 | | |
| 678 | S | 37.6 | Very low | 35.7 | Very low | 91 Ų | 91 | 145.5 Ų | 145.5 | 64% | 0.636 | 74% | 0.739 | S | S | * | * | | | | 73.4 | 124.4 | 71.5 | -167.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 679 | D | 39.9 | Very low | 35.9 | Very low | 107 Ų | 107 | 145.9 Ų | 145.9 | 57% | 0.572 | 74% | 0.742 | S | S | * | * | | | cis | -166.4 | 171.7 | 3.7 | -137.2 | -30.1 | 0 | 0 | 0 | 113.4 | | |
| 680 | K | 40.2 | Very low | 36.1 | Very low | 163 Ų | 163 | 141.7 Ų | 141.7 | 71% | 0.709 | 73% | 0.728 | S | S | * | * | | | trans | 64.7 | 157.1 | 154.7 | -65.8 | 158.2 | -172.3 | 87.6 | 0 | 118 | | |
| 681 | H | 38 | Very low | 36.1 | Very low | 147 Ų | 147 | 139.6 Ų | 139.6 | 68% | 0.681 | 72% | 0.724 | S | S | * | * | | | cis | 158.7 | 138.3 | -32.3 | -111.3 | -67.2 | 0 | 0 | 0 | 106.1 | | |
| 682 | N | 39.5 | Very low | 36.1 | Very low | 130 Ų | 130 | 138.5 Ų | 138.5 | 70% | 0.695 | 72% | 0.72 | S | S | * | * | | | trans | 62.9 | 124.2 | 148.1 | -55 | -11.3 | 0 | 0 | 0 | 118.5 | | |
| 683 | K | 32.2 | Very low | 36.1 | Very low | 186 Ų | 186 | 142.7 Ų | 142.7 | 81% | 0.809 | 73% | 0.727 | S | S | * | * | | | cis | 79.8 | 71 | 48.2 | -167.2 | -167.6 | 178.9 | -175.8 | 0 | 113.1 | | |
| 684 | L | 36.8 | Very low | 35.6 | Very low | 167 Ų | 167 | 142.5 Ų | 142.5 | 87% | 0.874 | 73% | 0.726 | S | S | * | * | | | trans | -136.7 | 127.5 | 149.9 | -62.5 | 174.1 | 0 | 0 | 0 | 103.7 | | |
| 685 | H | 31.5 | Very low | 35.5 | Very low | 147 Ų | 147 | 144.8 Ų | 144.8 | 68% | 0.681 | 73% | 0.729 | S | S | * | * | | | cis | 72.7 | 142.4 | 23.5 | -149.2 | -93.5 | 0 | 0 | 0 | 115.4 | | |
| 686 | E | 33.6 | Very low | 34.9 | Very low | 137 Ų | 137 | 147 Ų | 147 | 64% | 0.64 | 73% | 0.727 | S | S | * | * | | | trans | 63.7 | 144.6 | -177.1 | -101.6 | 99.3 | -152 | 0 | 0 | 118.6 | | |
| 687 | D | 34.7 | Very low | 34.5 | Very low | 146 Ų | 146 | 148.2 Ų | 148.2 | 78% | 0.781 | 73% | 0.728 | S | S | * | * | | | trans | 61.1 | 137.6 | 143.8 | -62.4 | -15.6 | 0 | 0 | 0 | 122.2 | | |
| 688 | S | 30.2 | Very low | 33.8 | Very low | 91 Ų | 91 | 146.6 Ų | 146.6 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | | | cis | -169.6 | -144.1 | -12.7 | 48.7 | 0 | 0 | 0 | 0 | 107.3 | | |
| 689 | E | 37.3 | Very low | 33.1 | Very low | 151 Ų | 151 | 149.7 Ų | 149.7 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | | | trans | 38 | 105.6 | 145.6 | -66.1 | -68.4 | 101 | 0 | 0 | 117.4 | | |
| 690 | L | 39.7 | Very low | 32.4 | Very low | 125 Ų | 125 | 152.9 Ų | 152.9 | 65% | 0.654 | 74% | 0.741 | S | S | * | * | | | cis | -168.1 | 153.8 | 33.9 | -85.1 | 131.4 | 0 | 0 | 0 | 111.2 | | |
| 691 | I | 36.2 | Very low | 31.6 | Very low | 133 Ų | 133 | 148.9 Ų | 148.9 | 68% | 0.682 | 73% | 0.734 | S | S | * | * | | | trans | 52.2 | 109.5 | 144.9 | -58.4 | 166.6 | 0 | 0 | 0 | 116 | | |
| 692 | R | 34.4 | Very low | 31 | Very low | 217 Ų | 217 | 147.9 Ų | 147.9 | 82% | 0.819 | 74% | 0.738 | S | S | * | * | | | cis | -161.5 | 123.9 | 27.8 | -166.4 | 174.3 | -66.3 | -177 | 0.4 | 112.5 | | |
| 693 | K | 34.5 | Very low | 30.2 | Very low | 177 Ų | 177 | 147.7 Ų | 147.7 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | | | trans | 25.9 | 123.4 | 137.6 | -55.8 | -177.8 | -178.3 | -175.8 | 0 | 117.4 | | |
| 694 | H | 27.5 | Very low | 29.9 | Very low | 175 Ų | 175 | 144.9 Ų | 144.9 | 81% | 0.81 | 74% | 0.739 | S | S | * | * | | | | 53 | 145.7 | 82.3 | -60.6 | -68.6 | 0 | 0 | 0 | 114.4 | | |
| 695 | P | 31 | Very low | 29.3 | Very low | 113 Ų | 113 | 141.2 Ų | 141.2 | 73% | 0.734 | 73% | 0.727 | S | S | * | * | | | cis | -137.6 | -170.5 | 14.5 | 40.5 | -20.6 | 0 | 0 | 0 | 115.7 | | |
| 696 | Y | 25.2 | Very low | 29 | Very low | 200 Ų | 200 | 138.7 Ų | 138.7 | 78% | 0.784 | 73% | 0.726 | S | S | * | * | | | trans | -27.5 | 151.6 | 151.6 | -61.7 | -93.2 | 0 | 0 | 0 | 118.6 | | |
| 697 | L | 24.9 | Very low | 28.6 | Very low | 145 Ų | 145 | 137.9 Ų | 137.9 | 76% | 0.759 | 73% | 0.731 | S | S | * | * | | | trans | 64 | 127 | 143.8 | -67.9 | 164.5 | 0 | 0 | 0 | 120.4 | | |
| 698 | N | 24.3 | Very low | 28.1 | Very low | 131 Ų | 131 | 137 Ų | 137 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | | | trans | 66.3 | 142.6 | 145.6 | -61.8 | 9.9 | 0 | 0 | 0 | 121.1 | | |
| 699 | E | 24 | Very low | 27.8 | Very low | 155 Ų | 155 | 136.7 Ų | 136.7 | 72% | 0.724 | 73% | 0.734 | S | S | * | * | | | trans | 60.1 | 79.2 | 149.4 | -68.2 | 172.3 | -148.3 | 0 | 0 | 119.9 | | |
| 700 | L | 24.6 | Very low | 27.3 | Very low | 175 Ų | 175 | 135.3 Ų | 135.3 | 92% | 0.916 | 74% | 0.735 | S | S | * | * | | | trans | -123.2 | 99.3 | 142.8 | -69.8 | 175.7 | 0 | 0 | 0 | 107.4 | | |
| 701 | S | 24.4 | Very low | 26.6 | Very low | 79 Ų | 79 | 135.8 Ų | 135.8 | 55% | 0.552 | 74% | 0.738 | S | S | * | * | | | cis | 66.4 | 104.7 | 41.5 | -50.7 | 0 | 0 | 0 | 0 | 114 | | |
| 702 | V | 23.7 | Very low | 26.2 | Very low | 126 Ų | 126 | 133 Ų | 133 | 76% | 0.764 | 73% | 0.73 | S | S | * | * | | | | 55.8 | 98 | 128.8 | -179.9 | 0 | 0 | 0 | 0 | 117.3 | | |
| 703 | V | 23.9 | Very low | 26.1 | Very low | 125 Ų | 125 | 128.2 Ų | 128.2 | 76% | 0.758 | 72% | 0.721 | S | S | * | * | | | trans | 70.8 | 155.8 | 131 | 173 | 0 | 0 | 0 | 0 | 118.1 | | |
| 704 | V | 25.3 | Very low | 25.9 | Very low | 127 Ų | 127 | 127 Ų | 127 | 77% | 0.77 | 72% | 0.719 | S | S | * | * | | | trans | 71.6 | 137.2 | 164.7 | 141.3 | 0 | 0 | 0 | 0 | 115.1 | | |
| 705 | S | 25.2 | Very low | 26 | Very low | 90 Ų | 90 | 125.2 Ų | 125.2 | 63% | 0.629 | 71% | 0.713 | S | S | * | * | | | cis | -169.3 | -173.2 | -22.6 | -106.7 | 0 | 0 | 0 | 0 | 106.8 | | |
| 706 | S | 24 | Very low | 25.7 | Very low | 94 Ų | 94 | 128 Ų | 128 | 66% | 0.657 | 72% | 0.717 | S | S | * | * | | | trans | 38.7 | 127.7 | 139 | 63.2 | 0 | 0 | 0 | 0 | 119 | | |
| 707 | T | 25.5 | Very low | 26 | Very low | 121 Ų | 121 | 123.9 Ų | 123.9 | 74% | 0.742 | 71% | 0.712 | S | S | * | * | | | | -155.8 | 137.5 | 69.4 | 24.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 708 | V | 24.4 | Very low | 26 | Very low | 126 Ų | 126 | 122.4 Ų | 122.4 | 76% | 0.764 | 71% | 0.711 | S | S | * | * | | | | 53.5 | 116 | 107.1 | -173.6 | 0 | 0 | 0 | 0 | 111.6 | V710 | V708-V710 HydrophobicContact CG1-CG2 4.46Š|
| 709 | A | 24.6 | Very low | 26.3 | Very low | 86 Ų | 86 | 125.1 Ų | 125.1 | 71% | 0.711 | 72% | 0.717 | S | S | * | * | | | | -135.3 | 151.5 | 51.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 710 | V | 25.8 | Very low | 26.4 | Very low | 121 Ų | 121 | 123.9 Ų | 123.9 | 73% | 0.733 | 72% | 0.719 | S | S | * | * | | | | 63.6 | 117.6 | 57.6 | 173.7 | 0 | 0 | 0 | 0 | 109.4 | V708 | V708-V710 HydrophobicContact CG1-CG2 4.46Š|
| 711 | D | 25.3 | Very low | 26.7 | Very low | 135 Ų | 135 | 121.1 Ų | 121.1 | 72% | 0.722 | 71% | 0.714 | S | S | * | * | | | cis | -155.5 | 173.2 | 16.5 | -147.9 | -45.2 | 0 | 0 | 0 | 112.9 | | |
| 712 | S | 28.3 | Very low | 26.9 | Very low | 74 Ų | 74 | 124.1 Ų | 124.1 | 52% | 0.517 | 73% | 0.725 | S | S | . | * | | | trans | 79 | 116.9 | 132.2 | -84 | 0 | 0 | 0 | 0 | 122.3 | | |
| 713 | N | 31.7 | Very low | 27.3 | Very low | 118 Ų | 118 | 125.4 Ų | 125.4 | 63% | 0.631 | 73% | 0.727 | S | S | * | * | | | | 82.9 | 108.4 | 128.9 | -62 | -30.6 | 0 | 0 | 0 | 118 | | |
| 714 | Q | 30.9 | Very low | 27.7 | Very low | 152 Ų | 152 | 130.9 Ų | 130.9 | 71% | 0.71 | 73% | 0.734 | S | S | * | * | | | | 89.3 | 142.5 | 98.5 | -74.2 | 173.8 | 49.4 | 0 | 0 | 111.5 | | |
| 715 | I | 28.5 | Very low | 27.8 | Very low | 136 Ų | 136 | 136.3 Ų | 136.3 | 70% | 0.697 | 74% | 0.741 | S | S | * | * | | | cis | -149.1 | 163.7 | 7.9 | -128.6 | 159.4 | 0 | 0 | 0 | 110.1 | | |
| 716 | E | 26.2 | Very low | 28.1 | Very low | 172 Ų | 172 | 141.5 Ų | 141.5 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | | | trans | -68.9 | 133.9 | 172.9 | -52.8 | 166.6 | 96.7 | 0 | 0 | 112.4 | | |
| 717 | V | 31 | Very low | 28.5 | Very low | 113 Ų | 113 | 143 Ų | 143 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | | | trans | -148.7 | 103.8 | 139.5 | -173.8 | 0 | 0 | 0 | 0 | 110.8 | K719 | V717-K719 HydrophobicContact CG1-CD 4.44Å; V717-K719 HydrophobicContact CG1-CG 4.15Å |
| 718 | P | 24 | Very low | 28.8 | Very low | 115 Ų | 115 | 141.5 Ų | 141.5 | 75% | 0.747 | 75% | 0.754 | S | S | * | * | | | trans | -80.1 | 124.1 | 162.6 | 31.2 | -30.7 | 0 | 0 | 0 | 110.3 | | |
| 719 | K | 31.6 | Very low | 29.2 | Very low | 188 Ų | 188 | 142.2 Ų | 142.2 | 82% | 0.817 | 75% | 0.754 | S | S | * | * | | | trans | -123 | 103.4 | 167.5 | -93 | -178.6 | 178 | 173.6 | 0 | 112 | V717 S721 | V717-K719 HydrophobicContact CG1-CD 4.44Å; V717-K719 HydrophobicContact CG1-CG 4.15Å; K719-S721 PolarHBondContact O-N 3.06Å |
| 720 | V | 26.5 | Very low | 29.6 | Very low | 129 Ų | 129 | 142.8 Ų | 142.8 | 78% | 0.782 | 76% | 0.758 | S | S | * | * | | | trans | -70 | 122.8 | 169.8 | 176.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 721 | S | 30.6 | Very low | 30.1 | Very low | 116 Ų | 116 | 146 Ų | 146 | 81% | 0.811 | 76% | 0.762 | S | S | * | * | | | trans | -120.2 | 105.7 | 161.1 | 54.3 | 0 | 0 | 0 | 0 | 109.6 | K719 N723 | K719-S721 PolarHBondContact O-N 3.06Å; S721-N723 PolarHBondContact O-N 3.11Å |
| 722 | N | 28.1 | Very low | 30.5 | Very low | 143 Ų | 143 | 147 Ų | 147 | 77% | 0.765 | 76% | 0.756 | S | S | * | * | | | trans | -68.4 | 124 | 174.7 | -83.8 | -51.8 | 0 | 0 | 0 | 110.3 | | |
| 723 | N | 32.1 | Very low | 30.5 | Very low | 153 Ų | 153 | 153.7 Ų | 153.7 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | trans | -154.4 | 108.4 | 146.5 | -101.7 | -40.9 | 0 | 0 | 0 | 112.9 | S721 | S721-N723 PolarHBondContact O-N 3.11Š|
| 724 | R | 31.3 | Very low | 30.6 | Very low | 240 Ų | 240 | 153.2 Ų | 153.2 | 91% | 0.906 | 78% | 0.777 | S | S | * | * | | | trans | 34.6 | 85.8 | 157 | -64.5 | -177.9 | 174 | 178.5 | -1.6 | 117.7 | K726 | R724-K726 PolarHBondContact O-N 3.25Š|
| 725 | R | 28.9 | Very low | 30.8 | Very low | 240 Ų | 240 | 155.6 Ų | 155.6 | 91% | 0.906 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 130 | 158.6 | -70.7 | 176.7 | 172.8 | 162.2 | -3.7 | 111.1 | | |
| 726 | K | 30.3 | Very low | 30.9 | Very low | 200 Ų | 200 | 157.8 Ų | 157.8 | 87% | 0.87 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 130.7 | 135 | -79.6 | -174.2 | 175 | -176.6 | 0 | 106.8 | R724 | R724-K726 PolarHBondContact O-N 3.25Š|
| 727 | P | 32.6 | Very low | 31.6 | Very low | 124 Ų | 124 | 155.2 Ų | 155.2 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 120.1 | 163.1 | -4.4 | 22.3 | 0 | 0 | 0 | 108.5 | | |
| 728 | S | 31.7 | Very low | 31.8 | Very low | 90 Ų | 90 | 158.6 Ų | 158.6 | 63% | 0.629 | 79% | 0.792 | S | S | * | * | | | trans | -91.7 | 174.8 | 161.2 | 55.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 729 | D | 32.8 | Very low | 32.7 | Very low | 142 Ų | 142 | 157.8 Ų | 157.8 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | | | trans | 64.1 | 62.3 | 156.1 | -43.6 | -44 | 0 | 0 | 0 | 117.2 | K731 | D729-K731 PolarHBondContact O-N 3.07Å; D729-K731 VanDerWaalsContact O-N 3.11Å |
| 730 | A | 34.4 | Very low | 33.4 | Very low | 97 Ų | 97 | 152.2 Ų | 152.2 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | | | trans | -63.7 | 107 | 157.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | R732 | A730-R732 PolarHBondContact O-N 2.95Š|
| 731 | K | 34.9 | Very low | 34.2 | Very low | 190 Ų | 190 | 152 Ų | 152 | 83% | 0.826 | 76% | 0.758 | S | S | * | * | | | trans | -50.8 | 120 | 179.4 | -72.8 | -172.2 | 176.1 | -173.2 | 0 | 111.4 | D729 | D729-K731 PolarHBondContact O-N 3.07Å; D729-K731 VanDerWaalsContact O-N 3.11Å |
| 732 | R | 34.3 | Very low | 34.9 | Very low | 154 Ų | 154 | 152.6 Ų | 152.6 | 58% | 0.581 | 75% | 0.752 | S | S | * | * | | | trans | -88 | 111.2 | 173.3 | -75.2 | -176.7 | 155 | -137.8 | -4.6 | 110.2 | N260 A730 S734 | N260-R732 PolarHBondContact O-NH2 3.44Å; N260-R732 PolarHBondContact OD1-NH1 2.94Å; N260-R732 PolarHBondContact OD1-NH2 2.87Å; A730-R732 PolarHBondContact O-N 2.95Å; R732-S734 PolarHBondContact O-N 3.45Å; R732-S734 VanDerWaalsContact O-N 3.13Å |
| 733 | Y | 28.6 | Very low | 35.5 | Very low | 216 Ų | 216 | 152 Ų | 152 | 85% | 0.847 | 74% | 0.743 | S | S | * | * | | | trans | -70.2 | 101.7 | 159.8 | -73.3 | -90.4 | 0 | 0 | 0 | 108.3 | K735 | Y733-K735 PolarHBondContact O-N 3.1Š|
| 734 | S | 32.7 | Very low | 35.8 | Very low | 108 Ų | 108 | 149.6 Ų | 149.6 | 76% | 0.755 | 73% | 0.729 | S | S | * | * | | | trans | -61.5 | 114.8 | 163 | 42.4 | 0 | 0 | 0 | 0 | 108.4 | R732 Q736 | R732-S734 PolarHBondContact O-N 3.45Å; R732-S734 VanDerWaalsContact O-N 3.13Å; S734-Q736 PolarHBondContact O-N 3.09Å |
| 735 | K | 35.1 | Very low | 36 | Very low | 202 Ų | 202 | 141.7 Ų | 141.7 | 88% | 0.878 | 71% | 0.708 | S | S | * | * | | | trans | -67.2 | 100.7 | 166.6 | -77.9 | -160.7 | 171.6 | -158.3 | 0 | 108.2 | Y733 | Y733-K735 PolarHBondContact O-N 3.1Š|
| 736 | Q | 32.2 | Very low | 36.3 | Very low | 182 Ų | 182 | 136.3 Ų | 136.3 | 85% | 0.85 | 70% | 0.697 | S | S | * | * | | | trans | -61.2 | 131.9 | 162.9 | -165.9 | 157.6 | -22 | 0 | 0 | 107.4 | S734 E738 | S734-Q736 PolarHBondContact O-N 3.09Å; Q736-E738 PolarHBondContact O-N 3.37Å |
| 737 | L | 39.8 | Very low | 36.6 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 62% | 0.618 | 70% | 0.699 | S | S | * | * | | | trans | -84.3 | 97.6 | 176 | -93.9 | 144.8 | 0 | 0 | 0 | 107.5 | I739 V777 | L737-I739 PolarHBondContact O-N 3Å; L737-V777 HydrophobicContact CD2-CG1 4.34Å |
| 738 | E | 36 | Very low | 36.6 | Very low | 183 Ų | 183 | 133.4 Ų | 133.4 | 86% | 0.855 | 68% | 0.682 | S | S | * | * | | | trans | -71.3 | 115.5 | 170.8 | -160.2 | 158.6 | -120.2 | 0 | 0 | 108 | Q736 | Q736-E738 PolarHBondContact O-N 3.37Š|
| 739 | I | 41.3 | Very low | 36.6 | Very low | 98 Ų | 98 | 138.9 Ų | 138.9 | 50% | 0.503 | 69% | 0.689 | S | S | . | * | | | trans | -85.7 | 126.2 | 172.7 | -61.9 | 174.8 | 0 | 0 | 0 | 105.8 | L737 D741 F743 L744 | L737-I739 PolarHBondContact O-N 3Å; I739-D741 PolarHBondContact O-N 2.77Å; I739-F743 HydrophobicContact CG2-CB 3.9Å; I739-L744 HydrophobicContact CG2-CD2 4.11Å; I739-L744 HydrophobicContact CG2-CG 4.25Å |
| 740 | P | 47.1 | Very low | 36.9 | Very low | 72 Ų | 72 | 135.9 Ų | 135.9 | 47% | 0.468 | 68% | 0.679 | S | S | . | * | | | trans | -59.4 | 135.9 | 178.2 | -20.9 | 31.4 | 0 | 0 | 0 | 110.9 | D742 F743 | P740-D742 PolarHBondContact O-N 3.29Å; P740-F743 HydrophobicContact CB-CD2 4.14Å; P740-F743 HydrophobicContact CG-CD2 4.2Å; P740-F743 HydrophobicContact CG-CE2 4.4Å; P740-F743 PolarHBondContact O-N 3.03Å |
| 741 | D | 44.5 | Very low | 37 | Very low | 125 Ų | 125 | 140.3 Ų | 140.3 | 67% | 0.668 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -58.3 | -23 | -175 | -67.3 | -56 | 0 | 0 | 0 | 113.6 | I739 F743 L744 T745 | I739-D741 PolarHBondContact O-N 2.77Å; D741-F743 PolarHBondContact O-N 2.98Å; D741-L744 CarbonylContact O-C 3.55Å; D741-L744 WeakPolarHBondContact O-CA 3.25Å; D741-L744 WeakPolarHBondContact O-CB 3.33Å; D741-L744 PolarHBondContact O-N 3.05Å; D741-T745 PolarHBondContact O-N 2.99Å; D741-T745 VanDerWaalsContact O-N 3.17Å |
| 742 | D | 44.9 | Very low | 37.5 | Very low | 128 Ų | 128 | 135.5 Ų | 135.5 | 68% | 0.684 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -51.5 | -38.4 | 170.6 | -55.2 | -40.5 | 0 | 0 | 0 | 112.2 | P740 L744 T745 | P740-D742 PolarHBondContact O-N 3.29Å; D742-L744 VanDerWaalsContact C-N 3.33Å; D742-T745 WeakPolarHBondContact O-CG2 3.29Å; D742-T745 PolarHBondContact O-OG1 2.89Å |
| 743 | F | 40.4 | Very low | 38 | Very low | 131 Ų | 131 | 134.9 Ų | 134.9 | 58% | 0.575 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -83.6 | -4.4 | 176.3 | -67.4 | -84.9 | 0 | 0 | 0 | 113.9 | I739 P740 D741 | I739-F743 HydrophobicContact CG2-CB 3.9Å; P740-F743 HydrophobicContact CB-CD2 4.14Å; P740-F743 HydrophobicContact CG-CD2 4.2Å; P740-F743 HydrophobicContact CG-CE2 4.4Å; P740-F743 PolarHBondContact O-N 3.03Å; D741-F743 PolarHBondContact O-N 2.98Å |
| 744 | L | 38.5 | Very low | 39 | Very low | 102 Ų | 102 | 127.4 Ų | 127.4 | 53% | 0.534 | 65% | 0.652 | S | S | . | * | G | 310 helix | trans | -104.4 | -1.8 | 175.9 | -57 | 180 | 0 | 0 | 0 | 112.2 | I739 D741 D742 L746 | I739-L744 HydrophobicContact CG2-CD2 4.11Å; I739-L744 HydrophobicContact CG2-CG 4.25Å; D741-L744 CarbonylContact O-C 3.55Å; D741-L744 WeakPolarHBondContact O-CA 3.25Å; D741-L744 WeakPolarHBondContact O-CB 3.33Å; D741-L744 PolarHBondContact O-N 3.05Å; D742-L744 VanDerWaalsContact C-N 3.33Å; L744-L746 PolarHBondContact O-N 3.39Å |
| 745 | T | 35.1 | Very low | 40.2 | Very low | 74 Ų | 74 | 127.7 Ų | 127.7 | 45% | 0.454 | 65% | 0.645 | S | S | . | * | | | trans | -55.2 | 129.9 | 177.2 | 53.1 | 0 | 0 | 0 | 0 | 111.8 | D741 D742 Q747 S748 | D741-T745 PolarHBondContact O-N 2.99Å; D741-T745 VanDerWaalsContact O-N 3.17Å; D742-T745 WeakPolarHBondContact O-CG2 3.29Å; D742-T745 PolarHBondContact O-OG1 2.89Å; T745-Q747 PolarHBondContact O-N 2.79Å; T745-S748 WeakPolarHBondContact O-CB 3.24Å; T745-S748 PolarHBondContact O-N 3.29Å; T745-S748 PolarHBondContact O-OG 3.42Å |
| 746 | L | 36.1 | Very low | 41.5 | Very low | 127 Ų | 127 | 120.3 Ų | 120.3 | 67% | 0.665 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -59 | -25.5 | -168.8 | -79.5 | 163 | 0 | 0 | 0 | 114.6 | L744 S748 R749 | L744-L746 PolarHBondContact O-N 3.39Å; L746-S748 PolarHBondContact O-N 3.01Å; L746-R749 WeakPolarHBondContact O-CB 3.33Å; L746-R749 PolarHBondContact O-N 3.23Å |
| 747 | Q | 35.2 | Very low | 43.6 | Very low | 199 Ų | 199 | 114.9 Ų | 114.9 | 93% | 0.93 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -68.7 | -15.2 | 175.9 | -71.2 | 179.6 | -22.8 | 0 | 0 | 113.8 | T745 R749 | T745-Q747 PolarHBondContact O-N 2.79Å; Q747-R749 VanDerWaalsContact C-N 3.31Å |
| 748 | S | 33.4 | Very low | 45.2 | Very low | 63 Ų | 63 | 113.6 Ų | 113.6 | 44% | 0.441 | 58% | 0.58 | S | S | . | * | G | 310 helix | trans | -84.7 | 1.1 | 174.6 | 69.6 | 0 | 0 | 0 | 0 | 114.1 | T745 L746 S750 | T745-S748 WeakPolarHBondContact O-CB 3.24Å; T745-S748 PolarHBondContact O-N 3.29Å; T745-S748 PolarHBondContact O-OG 3.42Å; L746-S748 PolarHBondContact O-N 3.01Å; S748-S750 PolarHBondContact O-N 3.47Å |
| 749 | R | 32.1 | Very low | 47.1 | Very low | 205 Ų | 205 | 108.7 Ų | 108.7 | 77% | 0.774 | 56% | 0.563 | S | S | * | * | | | trans | -74.7 | 51.1 | 173.2 | -68.9 | -171.5 | 172.6 | -172.7 | 1.2 | 113.2 | L746 Q747 | L746-R749 WeakPolarHBondContact O-CB 3.33Å; L746-R749 PolarHBondContact O-N 3.23Å; Q747-R749 VanDerWaalsContact C-N 3.31Å |
| 750 | S | 37.6 | Very low | 48.7 | Very low | 79 Ų | 79 | 106.5 Ų | 106.5 | 55% | 0.552 | 55% | 0.552 | S | S | * | * | | | trans | -67.5 | 135.7 | 153.2 | 59.5 | 0 | 0 | 0 | 0 | 108.6 | S748 M752 | S748-S750 PolarHBondContact O-N 3.47Å; S750-M752 PolarHBondContact O-N 3.05Å |
| 751 | E | 36.7 | Very low | 49.5 | Very low | 190 Ų | 190 | 109.4 Ų | 109.4 | 89% | 0.888 | 57% | 0.568 | S | S | * | * | | | trans | -61 | 110.3 | 170.2 | -65 | -171.4 | 130.2 | 0 | 0 | 109.2 | E753 | E751-E753 PolarHBondContact O-N 2.93Å; E751-E753 VanDerWaalsContact O-N 3.13Å |
| 752 | M | 46.4 | Very low | 50.1 | Low | 89 Ų | 89 | 110.7 Ų | 110.7 | 44% | 0.438 | 57% | 0.574 | S | S | . | * | | | trans | -75.1 | 101 | 175.7 | 175.4 | 173.5 | 48.8 | 0 | 0 | 108.1 | S750 E756 I757 V768 | S750-M752 PolarHBondContact O-N 3.05Å; M752-E756 HydrophobicContact CG-CB 4.06Å; M752-I757 HydrophobicContact CE-CD1 3.79Å; M752-I757 HydrophobicContact CE-CG1 4.28Å; M752-I757 HydrophobicContact CG-CG1 4.35Å; M752-I757 HydrophobicContact SD-CD1 3.97Å; M752-I757 HydrophobicContact SD-CG1 3.77Å; M752-V768 HydrophobicContact SD-CG1 3.89Å |
| 753 | E | 44.7 | Very low | 51.3 | Low | 141 Ų | 141 | 107.1 Ų | 107.1 | 66% | 0.659 | 56% | 0.557 | S | S | * | * | | | trans | -56 | 146.9 | 177.2 | -64.3 | -170.3 | 150.3 | 0 | 0 | 110.7 | E751 D755 E756 | E751-E753 PolarHBondContact O-N 2.93Å; E751-E753 VanDerWaalsContact O-N 3.13Å; E753-D755 PolarHBondContact O-N 2.86Å; E753-D755 VanDerWaalsContact O-N 3.13Å; E753-E756 HydrophobicContact CB-CG 4.24Å; E753-E756 WeakPolarHBondContact O-CB 3.44Å; E753-E756 PolarHBondContact O-N 3.1Å |
| 754 | A | 48.8 | Very low | 53 | Low | 60 Ų | 60 | 101.4 Ų | 101.4 | 50% | 0.496 | 54% | 0.535 | S | S | . | . | G | 310 helix | trans | -61.7 | -27.7 | -174 | 0 | 0 | 0 | 0 | 0 | 113 | T2 E756 I757 | T2-A754 HydrophobicContact CG2-CB 3.62Å; T2-A754 WeakPolarHBondContact CG2-O 3.31Å; A754-E756 VanDerWaalsContact C-N 3.28Å; A754-E756 PolarHBondContact O-N 3.19Å; A754-I757 PolarHBondContact O-N 3.21Å |
| 755 | D | 58.3 | Low | 54.7 | Low | 114 Ų | 114 | 97 Ų | 97 | 61% | 0.61 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -74.2 | -13 | 176.6 | -77.2 | -9.3 | 0 | 0 | 0 | 113.4 | E753 I757 | E753-D755 PolarHBondContact O-N 2.86Å; E753-D755 VanDerWaalsContact O-N 3.13Å; D755-I757 VanDerWaalsContact C-N 3.3Å |
| 756 | E | 63.3 | Low | 56.7 | Low | 46 Ų | 46 | 96.9 Ų | 96.9 | 22% | 0.215 | 51% | 0.507 | C | S | . | . | G | 310 helix | trans | -74 | -20.6 | 172.2 | -58.9 | -159.8 | 124.3 | 0 | 0 | 113 | M752 E753 A754 V768 K769 | M752-E756 HydrophobicContact CG-CB 4.06Å; E753-E756 HydrophobicContact CB-CG 4.24Å; E753-E756 WeakPolarHBondContact O-CB 3.44Å; E753-E756 PolarHBondContact O-N 3.1Å; A754-E756 VanDerWaalsContact C-N 3.28Å; A754-E756 PolarHBondContact O-N 3.19Å; E756-V768 CarbonylContact O-C 3.52Å; E756-V768 WeakPolarHBondContact O-CA 3.46Å; E756-K769 HydrophobicContact CB-CG 4.13Å; E756-K769 HydrophobicContact CG-CG 4.32Å; E756-K769 PolarHBondContact O-N 3.47Å; E756-K769 WeakPolarHBondContact OE1-CE 3.31Å; E756-K769 WeakPolarHBondContact OE1-CG 3.47Å; E756-K769 IonicContact OE1-NZ 2.75Å; E756-K769 PolarHBondContact OE1-NZ 3.29Å; E756-K769 WeakPolarHBondContact OE2-CE 3.28Å; E756-K769 IonicContact OE2-NZ 3.21Å; E756-K769 PolarHBondContact OE2-NZ 3.46Å |
| 757 | I | 74.4 | Confident | 58.8 | Low | 68 Ų | 68 | 93 Ų | 93 | 35% | 0.349 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 113.3 | 174.7 | -50.4 | 179.8 | 0 | 0 | 0 | 109.8 | M752 A754 D755 I766 F767 | M752-I757 HydrophobicContact CE-CD1 3.79Å; M752-I757 HydrophobicContact CE-CG1 4.28Å; M752-I757 HydrophobicContact CG-CG1 4.35Å; M752-I757 HydrophobicContact SD-CD1 3.97Å; M752-I757 HydrophobicContact SD-CG1 3.77Å; A754-I757 PolarHBondContact O-N 3.21Å; D755-I757 VanDerWaalsContact C-N 3.3Å; I757-I766 HydrophobicContact CG2-CG2 4.13Å; I757-F767 WeakPolarHBondContact CA-O 3.48Å |
| 758 | Q | 74.3 | Confident | 61 | Low | 91 Ų | 91 | 85 Ų | 85 | 43% | 0.425 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 151.1 | 174.6 | -63.3 | 170.2 | 33.4 | 0 | 0 | 110.4 | I766 F767 N770 | Q758-I766 CarbonylContact O-C 3.6Å; Q758-I766 WeakPolarHBondContact O-CA 3.4Å; Q758-F767 HydrophobicContact CB-CB 4.31Å; Q758-F767 PolarHBondContact N-O 2.88Å; Q758-F767 PolarHBondContact O-N 3.01Å; Q758-N770 PolarHBondContact NE2-OD1 2.71Å |
| 759 | V | 76.2 | Confident | 63.3 | Low | 81 Ų | 81 | 87 Ų | 87 | 49% | 0.491 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 118.9 | 172.6 | -174.2 | 0 | 0 | 0 | 0 | 107.7 | V761 I766 | V759-V761 PolarHBondContact O-N 3.2Å; V759-I766 HydrophobicContact CG2-CG1 4.26Å |
| 760 | D | 73.9 | Confident | 65.5 | Low | 52 Ų | 52 | 82.5 Ų | 82.5 | 28% | 0.278 | 44% | 0.442 | S | S | . | . | | | trans | -70.1 | 112.8 | 171.2 | 170.2 | 20.2 | 0 | 0 | 0 | 109.1 | L762 T763 G764 E765 F767 | D760-L762 PolarHBondContact O-N 3.36Å; D760-L762 WeakPolarHBondContact OD1-CB 3.45Å; D760-L762 PolarHBondContact OD1-N 3.34Å; D760-T763 VanDerWaalsContact CG-OG1 3.31Å; D760-T763 PolarHBondContact O-N 2.68Å; D760-T763 VanDerWaalsContact OD2-CB 3.31Å; D760-T763 WeakPolarHBondContact OD2-CB 3.43Å; D760-T763 WeakPolarHBondContact OD2-CG2 3.47Å; D760-T763 PolarHBondContact OD2-N 3.26Å; D760-T763 PolarHBondContact OD2-OG1 3.27Å; D760-G764 WeakPolarHBondContact O-CA 3.5Å; D760-G764 PolarHBondContact O-N 3.03Å; D760-E765 PolarHBondContact N-O 3.1Å; D760-F767 HydrophobicContact CB-CE2 3.89Å |
| 761 | V | 65.7 | Low | 67.3 | Low | 133 Ų | 133 | 82.7 Ų | 82.7 | 81% | 0.806 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -20.2 | -178.4 | -175.5 | 0 | 0 | 0 | 0 | 112.4 | V759 | V759-V761 PolarHBondContact O-N 3.2Š|
| 762 | L | 55.8 | Low | 69.4 | Low | 152 Ų | 152 | 74.6 Ų | 74.6 | 80% | 0.796 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -36.2 | -179.2 | -59.7 | 178 | 0 | 0 | 0 | 113.3 | D760 | D760-L762 PolarHBondContact O-N 3.36Å; D760-L762 WeakPolarHBondContact OD1-CB 3.45Å; D760-L762 PolarHBondContact OD1-N 3.34Å |
| 763 | T | 70 | Confident | 70.8 | Confident | 53 Ų | 53 | 72.8 Ų | 72.8 | 33% | 0.325 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | -16.5 | -179.9 | 60.9 | 0 | 0 | 0 | 0 | 113.9 | D760 E765 F785 | D760-T763 VanDerWaalsContact CG-OG1 3.31Å; D760-T763 PolarHBondContact O-N 2.68Å; D760-T763 VanDerWaalsContact OD2-CB 3.31Å; D760-T763 WeakPolarHBondContact OD2-CB 3.43Å; D760-T763 WeakPolarHBondContact OD2-CG2 3.47Å; D760-T763 PolarHBondContact OD2-N 3.26Å; D760-T763 PolarHBondContact OD2-OG1 3.27Å; T763-E765 PolarHBondContact O-N 2.95Å; T763-E765 WeakPolarHBondContact OG1-CB 3.27Å; T763-E765 PolarHBondContact OG1-N 3.18Å; T763-E765 VanDerWaalsContact OG1-N 3.16Å; T763-F785 WeakPolarHBondContact O-CD2 3.02Å |
| 764 | G | 76.6 | Confident | 72.3 | Confident | 11 Ų | 11 | 70.5 Ų | 70.5 | 11% | 0.113 | 38% | 0.377 | C | S | . | . | | | trans | 68.2 | 7.3 | -166.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | D760 I766 | D760-G764 WeakPolarHBondContact O-CA 3.5Å; D760-G764 PolarHBondContact O-N 3.03Å; G764-I766 PolarHBondContact O-N 2.83Å |
| 765 | E | 73.2 | Confident | 73.6 | Confident | 9 Ų | 9 | 71.3 Ų | 71.3 | 4% | 0.042 | 38% | 0.379 | C | S | . | . | | | trans | -69.2 | 121.8 | -178.6 | -163.8 | 161.5 | 140.9 | 0 | 0 | 109.3 | D760 T763 F767 P772 R774 R782 | D760-E765 PolarHBondContact N-O 3.1Å; T763-E765 PolarHBondContact O-N 2.95Å; T763-E765 WeakPolarHBondContact OG1-CB 3.27Å; T763-E765 PolarHBondContact OG1-N 3.18Å; T763-E765 VanDerWaalsContact OG1-N 3.16Å; E765-F767 HydrophobicContact CB-CE2 3.88Å; E765-F767 HydrophobicContact CB-CZ 4.3Å; E765-F767 HydrophobicContact CG-CE2 4.07Å; E765-F767 HydrophobicContact CG-CZ 4.15Å; E765-F767 WeakPolarHBondContact O-CD2 3.41Å; E765-F767 VanDerWaalsContact O-CE2 3.24Å; E765-F767 WeakPolarHBondContact O-CE2 3.39Å; E765-P772 HydrophobicContact CG-CB 4.05Å; E765-P772 WeakPolarHBondContact OE1-CB 3.29Å; E765-R774 IonicContact OE1-CZ 2.67Å; E765-R774 IonicContact OE1-NE 3.16Å; E765-R774 PolarHBondContact OE1-NE 2.76Å; E765-R774 IonicContact OE1-NH2 3.16Å; E765-R774 PolarHBondContact OE1-NH2 2.9Å; E765-R774 IonicContact OE2-NE 2.79Å; E765-R774 PolarHBondContact OE2-NE 2.84Å; E765-R774 IonicContact OE2-NH2 3.4Å; E765-R782 IonicContact OE1-NH2 3.69Å; E765-R782 WeakPolarHBondContact OE2-CG 3.38Å; E765-R782 IonicContact OE2-CZ 3.2Å; E765-R782 IonicContact OE2-NE 2.71Å; E765-R782 PolarHBondContact OE2-NE 2.95Å; E765-R782 IonicContact OE2-NH2 3.65Å; E765-R782 PolarHBondContact OE2-NH2 3.27Å |
| 766 | I | 78.4 | Confident | 74.4 | Confident | 71 Ų | 71 | 69.4 Ų | 69.4 | 36% | 0.364 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 137.2 | 175.9 | -54.5 | 176 | 0 | 0 | 0 | 107.9 | I757 Q758 V759 G764 P772 L773 | I757-I766 HydrophobicContact CG2-CG2 4.13Å; Q758-I766 CarbonylContact O-C 3.6Å; Q758-I766 WeakPolarHBondContact O-CA 3.4Å; V759-I766 HydrophobicContact CG2-CG1 4.26Å; G764-I766 PolarHBondContact O-N 2.83Å; I766-P772 CarbonylContact O-C 3.53Å; I766-P772 WeakPolarHBondContact O-CA 3.17Å; I766-L773 HydrophobicContact CB-CB 4.24Å; I766-L773 HydrophobicContact CB-CD2 4.24Å; I766-L773 HydrophobicContact CD1-CD2 4.37Å; I766-L773 HydrophobicContact CG2-CD2 4.32Å; I766-L773 WeakPolarHBondContact O-CB 3.47Å; I766-L773 PolarHBondContact O-N 2.76Å |
| 767 | F | 80.6 | Confident | 74.7 | Confident | 47 Ų | 47 | 69.9 Ų | 69.9 | 21% | 0.206 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 141.9 | 175.6 | -61 | -104.8 | 0 | 0 | 0 | 109.5 | I757 Q758 D760 E765 N770 I771 P772 | I757-F767 WeakPolarHBondContact CA-O 3.48Å; Q758-F767 HydrophobicContact CB-CB 4.31Å; Q758-F767 PolarHBondContact N-O 2.88Å; Q758-F767 PolarHBondContact O-N 3.01Å; D760-F767 HydrophobicContact CB-CE2 3.89Å; E765-F767 HydrophobicContact CB-CE2 3.88Å; E765-F767 HydrophobicContact CB-CZ 4.3Å; E765-F767 HydrophobicContact CG-CE2 4.07Å; E765-F767 HydrophobicContact CG-CZ 4.15Å; E765-F767 WeakPolarHBondContact O-CD2 3.41Å; E765-F767 VanDerWaalsContact O-CE2 3.24Å; E765-F767 WeakPolarHBondContact O-CE2 3.39Å; F767-N770 WeakPolarHBondContact CD1-O 3.49Å; F767-I771 CarbonylContact C-O 3.57Å; F767-I771 VanDerWaalsContact CA-O 3.26Å; F767-I771 WeakPolarHBondContact CA-O 3.33Å; F767-P772 HydrophobicContact CD1-CB 3.78Å; F767-P772 HydrophobicContact CD1-CG 4.3Å; F767-P772 HydrophobicContact CE1-CB 3.66Å; F767-P772 HydrophobicContact CE1-CG 4.08Å; F767-P772 HydrophobicContact CG-CB 4.48Å; F767-P772 HydrophobicContact CZ-CB 4.27Å |
| 768 | V | 80.7 | Confident | 74 | Confident | 30 Ų | 30 | 73.1 Ų | 73.1 | 18% | 0.182 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 122.1 | 173.2 | 179.1 | 0 | 0 | 0 | 0 | 106.9 | M752 E756 N770 I771 L773 L776 | M752-V768 HydrophobicContact SD-CG1 3.89Å; E756-V768 CarbonylContact O-C 3.52Å; E756-V768 WeakPolarHBondContact O-CA 3.46Å; V768-N770 PolarHBondContact O-N 3.02Å; V768-I771 PolarHBondContact N-O 3.47Å; V768-I771 WeakPolarHBondContact O-CB 3.39Å; V768-I771 PolarHBondContact O-N 2.95Å; V768-L773 HydrophobicContact CG2-CD1 4.19Å; V768-L776 HydrophobicContact CB-CD1 4.1Å |
| 769 | K | 81.9 | Confident | 73.4 | Confident | 104 Ų | 104 | 72.3 Ų | 72.3 | 45% | 0.452 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 43.7 | -172.8 | -57.2 | -178.5 | -167.6 | -102 | 0 | 112.3 | E756 I771 | E756-K769 HydrophobicContact CB-CG 4.13Å; E756-K769 HydrophobicContact CG-CG 4.32Å; E756-K769 PolarHBondContact O-N 3.47Å; E756-K769 WeakPolarHBondContact OE1-CE 3.31Å; E756-K769 WeakPolarHBondContact OE1-CG 3.47Å; E756-K769 IonicContact OE1-NZ 2.75Å; E756-K769 PolarHBondContact OE1-NZ 3.29Å; E756-K769 WeakPolarHBondContact OE2-CE 3.28Å; E756-K769 IonicContact OE2-NZ 3.21Å; E756-K769 PolarHBondContact OE2-NZ 3.46Å; K769-I771 PolarHBondContact O-N 3.49Å; K769-I771 VanDerWaalsContact O-N 3.13Å |
| 770 | N | 77.5 | Confident | 73 | Confident | 112 Ų | 112 | 71.5 Ų | 71.5 | 60% | 0.599 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 2 | -172.5 | -52.5 | -54.1 | 0 | 0 | 0 | 116.3 | Q758 F767 V768 | Q758-N770 PolarHBondContact NE2-OD1 2.71Å; F767-N770 WeakPolarHBondContact CD1-O 3.49Å; V768-N770 PolarHBondContact O-N 3.02Å |
| 771 | I | 75.8 | Confident | 72.6 | Confident | 82 Ų | 82 | 78 Ų | 78 | 42% | 0.421 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 125.4 | 174.6 | -54.6 | 174.5 | 0 | 0 | 0 | 109 | F767 V768 K769 L773 L776 | F767-I771 CarbonylContact C-O 3.57Å; F767-I771 VanDerWaalsContact CA-O 3.26Å; F767-I771 WeakPolarHBondContact CA-O 3.33Å; V768-I771 PolarHBondContact N-O 3.47Å; V768-I771 WeakPolarHBondContact O-CB 3.39Å; V768-I771 PolarHBondContact O-N 2.95Å; K769-I771 PolarHBondContact O-N 3.49Å; K769-I771 VanDerWaalsContact O-N 3.13Å; I771-L773 PolarHBondContact O-N 3.4Å; I771-L776 HydrophobicContact CB-CD1 4.49Å; I771-L776 HydrophobicContact CD1-CD2 4.44Å; I771-L776 HydrophobicContact CG2-CD1 4.39Å; I771-L776 HydrophobicContact CG2-CD2 3.89Å; I771-L776 HydrophobicContact CG2-CG 3.93Å |
| 772 | P | 80 | Confident | 72.5 | Confident | 21 Ų | 21 | 78.9 Ų | 78.9 | 14% | 0.136 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 133 | 178.3 | 24.4 | -31.7 | 0 | 0 | 0 | 111 | E765 I766 F767 R774 S775 | E765-P772 HydrophobicContact CG-CB 4.05Å; E765-P772 WeakPolarHBondContact OE1-CB 3.29Å; I766-P772 CarbonylContact O-C 3.53Å; I766-P772 WeakPolarHBondContact O-CA 3.17Å; F767-P772 HydrophobicContact CD1-CB 3.78Å; F767-P772 HydrophobicContact CD1-CG 4.3Å; F767-P772 HydrophobicContact CE1-CB 3.66Å; F767-P772 HydrophobicContact CE1-CG 4.08Å; F767-P772 HydrophobicContact CG-CB 4.48Å; F767-P772 HydrophobicContact CZ-CB 4.27Å; P772-R774 HydrophobicContact CB-CG 4.29Å; P772-R774 PolarHBondContact O-N 2.9Å; P772-S775 WeakPolarHBondContact O-CB 3.36Å; P772-S775 PolarHBondContact O-N 3.09Å |
| 773 | L | 77.2 | Confident | 72.5 | Confident | 51 Ų | 51 | 74.5 Ų | 74.5 | 27% | 0.267 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -56.7 | -29.2 | -172 | -172.9 | 66.3 | 0 | 0 | 0 | 113.3 | I766 V768 I771 S775 L776 V777 L780 | I766-L773 HydrophobicContact CB-CB 4.24Å; I766-L773 HydrophobicContact CB-CD2 4.24Å; I766-L773 HydrophobicContact CD1-CD2 4.37Å; I766-L773 HydrophobicContact CG2-CD2 4.32Å; I766-L773 WeakPolarHBondContact O-CB 3.47Å; I766-L773 PolarHBondContact O-N 2.76Å; V768-L773 HydrophobicContact CG2-CD1 4.19Å; I771-L773 PolarHBondContact O-N 3.4Å; L773-S775 PolarHBondContact O-N 3.05Å; L773-L776 HydrophobicContact CD1-CD1 4.5Å; L773-L776 PolarHBondContact O-N 2.85Å; L773-L776 VanDerWaalsContact O-N 3.09Å; L773-V777 HydrophobicContact CD1-CG2 4.13Å; L773-V777 HydrophobicContact CG-CG2 4.45Å; L773-V777 PolarHBondContact O-N 3.12Å; L773-L780 HydrophobicContact CB-CD1 4.47Å; L773-L780 HydrophobicContact CD2-CD1 3.93Å; L773-L780 HydrophobicContact CG-CD1 3.77Å |
| 774 | R | 75 | Confident | 71.5 | Confident | 93 Ų | 93 | 83.4 Ų | 83.4 | 35% | 0.351 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -68.9 | -10.6 | 173.9 | 63.7 | 167.1 | 178.2 | 74.7 | 21.8 | 115.3 | E765 P772 L780 | E765-R774 IonicContact OE1-CZ 2.67Å; E765-R774 IonicContact OE1-NE 3.16Å; E765-R774 PolarHBondContact OE1-NE 2.76Å; E765-R774 IonicContact OE1-NH2 3.16Å; E765-R774 PolarHBondContact OE1-NH2 2.9Å; E765-R774 IonicContact OE2-NE 2.79Å; E765-R774 PolarHBondContact OE2-NE 2.84Å; E765-R774 IonicContact OE2-NH2 3.4Å; P772-R774 HydrophobicContact CB-CG 4.29Å; P772-R774 PolarHBondContact O-N 2.9Å; R774-L780 HydrophobicContact CB-CB 4.1Å |
| 775 | S | 76.8 | Confident | 70 | Confident | 77 Ų | 77 | 88.9 Ų | 88.9 | 54% | 0.538 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -92.9 | -20.2 | 170.2 | -63 | 0 | 0 | 0 | 0 | 112 | P772 L773 | P772-S775 WeakPolarHBondContact O-CB 3.36Å; P772-S775 PolarHBondContact O-N 3.09Å; L773-S775 PolarHBondContact O-N 3.05Å |
| 776 | L | 74.4 | Confident | 68.3 | Low | 74 Ų | 74 | 96.4 Ų | 96.4 | 39% | 0.387 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -89.8 | -41.3 | 176.1 | -60.3 | 174.6 | 0 | 0 | 0 | 111.4 | V768 I771 L773 | V768-L776 HydrophobicContact CB-CD1 4.1Å; I771-L776 HydrophobicContact CB-CD1 4.49Å; I771-L776 HydrophobicContact CD1-CD2 4.44Å; I771-L776 HydrophobicContact CG2-CD1 4.39Å; I771-L776 HydrophobicContact CG2-CD2 3.89Å; I771-L776 HydrophobicContact CG2-CG 3.93Å; L773-L776 HydrophobicContact CD1-CD1 4.5Å; L773-L776 PolarHBondContact O-N 2.85Å; L773-L776 VanDerWaalsContact O-N 3.09Å |
| 777 | V | 69.8 | Low | 66.5 | Low | 56 Ų | 56 | 99 Ų | 99 | 34% | 0.339 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -111.4 | 117.3 | -177.2 | -174.7 | 0 | 0 | 0 | 0 | 110.2 | L737 L773 L780 | L737-V777 HydrophobicContact CD2-CG1 4.34Å; L773-V777 HydrophobicContact CD1-CG2 4.13Å; L773-V777 HydrophobicContact CG-CG2 4.45Å; L773-V777 PolarHBondContact O-N 3.12Å; V777-L780 HydrophobicContact CB-CD1 3.73Å; V777-L780 HydrophobicContact CB-CG 3.96Å; V777-L780 HydrophobicContact CG1-CD1 4.12Å; V777-L780 HydrophobicContact CG1-CG 3.93Å; V777-L780 HydrophobicContact CG2-CD1 4.36Å |
| 778 | T | 59.3 | Low | 64.7 | Low | 135 Ų | 135 | 101.7 Ų | 101.7 | 83% | 0.828 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | 149.5 | 178.8 | 64.2 | 0 | 0 | 0 | 0 | 111.7 | L780 | T778-L780 PolarHBondContact O-N 2.94Š|
| 779 | G | 62.4 | Low | 62.8 | Low | 75 Ų | 75 | 107.6 Ų | 107.6 | 77% | 0.773 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | -12 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | K781 | G779-K781 PolarHBondContact O-N 3.07Š|
| 780 | L | 67.1 | Low | 60.9 | Low | 63 Ų | 63 | 108.2 Ų | 108.2 | 33% | 0.33 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 118.7 | 172.1 | -70.5 | -171.5 | 0 | 0 | 0 | 111.2 | L773 R774 V777 T778 | L773-L780 HydrophobicContact CB-CD1 4.47Å; L773-L780 HydrophobicContact CD2-CD1 3.93Å; L773-L780 HydrophobicContact CG-CD1 3.77Å; R774-L780 HydrophobicContact CB-CB 4.1Å; V777-L780 HydrophobicContact CB-CD1 3.73Å; V777-L780 HydrophobicContact CB-CG 3.96Å; V777-L780 HydrophobicContact CG1-CD1 4.12Å; V777-L780 HydrophobicContact CG1-CG 3.93Å; V777-L780 HydrophobicContact CG2-CD1 4.36Å; T778-L780 PolarHBondContact O-N 2.94Å |
| 781 | K | 67.2 | Low | 59.2 | Low | 190 Ų | 190 | 107.1 Ų | 107.1 | 83% | 0.826 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -82.9 | 142.1 | 173.6 | -66.6 | 176.9 | -178.7 | 174.3 | 0 | 109.5 | G779 | G779-K781 PolarHBondContact O-N 3.07Š|
| 782 | R | 62.2 | Low | 57.3 | Low | 150 Ų | 150 | 109 Ų | 109 | 57% | 0.566 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -49.1 | 128.6 | 167.9 | -91.4 | -173.7 | 158 | 142 | 0.3 | 110.3 | E765 R784 | E765-R782 IonicContact OE1-NH2 3.69Å; E765-R782 WeakPolarHBondContact OE2-CG 3.38Å; E765-R782 IonicContact OE2-CZ 3.2Å; E765-R782 IonicContact OE2-NE 2.71Å; E765-R782 PolarHBondContact OE2-NE 2.95Å; E765-R782 IonicContact OE2-NH2 3.65Å; E765-R782 PolarHBondContact OE2-NH2 3.27Å; R782-R784 PolarHBondContact O-N 3.26Å |
| 783 | P | 56.6 | Low | 55.4 | Low | 60 Ų | 60 | 115.7 Ų | 115.7 | 39% | 0.39 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -56.7 | 131.6 | 173.4 | -27.4 | 38 | 0 | 0 | 0 | 110.9 | F785 | P783-F785 HydrophobicContact CB-CD2 3.75Å; P783-F785 HydrophobicContact CB-CE2 3.66Å; P783-F785 PolarHBondContact O-N 3.44Å |
| 784 | R | 49.4 | Very low | 53.6 | Low | 241 Ų | 241 | 121.5 Ų | 121.5 | 91% | 0.909 | 59% | 0.59 | S | S | * | * | | | trans | -91.5 | 71.8 | 178.8 | -71.3 | -172.7 | 177.2 | -175.4 | 0 | 110.3 | R782 | R782-R784 PolarHBondContact O-N 3.26Š|
| 785 | F | 45.5 | Very low | 51.7 | Low | 126 Ų | 126 | 126.3 Ų | 126.3 | 55% | 0.553 | 61% | 0.61 | S | S | * | * | | | trans | -64.3 | 154.7 | 165.9 | -78 | -96 | 0 | 0 | 0 | 110.5 | T763 P783 Q787 | T763-F785 WeakPolarHBondContact O-CD2 3.02Å; P783-F785 HydrophobicContact CB-CD2 3.75Å; P783-F785 HydrophobicContact CB-CE2 3.66Å; P783-F785 PolarHBondContact O-N 3.44Å; F785-Q787 PolarHBondContact O-N 3.38Å |
| 786 | Y | 36.9 | Very low | 49.7 | Very low | 167 Ų | 167 | 131.1 Ų | 131.1 | 66% | 0.655 | 62% | 0.621 | S | S | * | * | | | trans | -75.5 | 77.3 | -152.1 | -77.3 | -106.4 | 0 | 0 | 0 | 114.9 | L788 E789 | Y786-L788 HydrophobicContact CD1-CB 4.11Å; Y786-L788 HydrophobicContact CD1-CD1 3.83Å; Y786-L788 HydrophobicContact CE1-CD1 4.15Å; Y786-L788 PolarHBondContact O-N 2.71Å; Y786-L788 VanDerWaalsContact O-N 3.08Å; Y786-E789 PolarHBondContact O-N 3.07Å |
| 787 | Q | 40.5 | Very low | 47.8 | Very low | 125 Ų | 125 | 133.1 Ų | 133.1 | 58% | 0.584 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.5 | -24.8 | 161.4 | -166.8 | 71.1 | 45.7 | 0 | 0 | 112 | F785 E789 L790 D791 | F785-Q787 PolarHBondContact O-N 3.38Å; Q787-E789 VanDerWaalsContact C-N 3.27Å; Q787-E789 PolarHBondContact O-N 3.3Å; Q787-L790 PolarHBondContact O-N 2.97Å; Q787-D791 PolarHBondContact O-N 2.98Å |
| 788 | L | 41.4 | Very low | 46.3 | Very low | 104 Ų | 104 | 142.6 Ų | 142.6 | 55% | 0.545 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -47.4 | -43.8 | 170.1 | -81.7 | 158.4 | 0 | 0 | 0 | 113.2 | Y786 L790 D791 H792 | Y786-L788 HydrophobicContact CD1-CB 4.11Å; Y786-L788 HydrophobicContact CD1-CD1 3.83Å; Y786-L788 HydrophobicContact CE1-CD1 4.15Å; Y786-L788 PolarHBondContact O-N 2.71Å; Y786-L788 VanDerWaalsContact O-N 3.08Å; L788-L790 PolarHBondContact O-N 2.68Å; L788-D791 PolarHBondContact O-N 3.49Å; L788-H792 PolarHBondContact O-CD2 3.35Å; L788-H792 PolarHBondContact O-N 3.33Å; L788-H792 VanDerWaalsContact O-N 3.15Å |
| 789 | E | 41.1 | Very low | 45.1 | Very low | 154 Ų | 154 | 139.9 Ų | 139.9 | 72% | 0.72 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -70.5 | -16 | -178.8 | -65.7 | -160.4 | 137.3 | 0 | 0 | 113.7 | Y786 Q787 | Y786-E789 PolarHBondContact O-N 3.07Å; Q787-E789 VanDerWaalsContact C-N 3.27Å; Q787-E789 PolarHBondContact O-N 3.3Å |
| 790 | L | 42.4 | Very low | 43.5 | Very low | 116 Ų | 116 | 139.8 Ų | 139.8 | 61% | 0.607 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -88.2 | -36.7 | 173.8 | -72.9 | 166 | 0 | 0 | 0 | 112.5 | Q787 L788 | Q787-L790 PolarHBondContact O-N 2.97Å; L788-L790 PolarHBondContact O-N 2.68Å |
| 791 | D | 41.2 | Very low | 41.8 | Very low | 90 Ų | 90 | 148.9 Ų | 148.9 | 48% | 0.481 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -80.1 | -18.5 | 179.2 | -97.8 | -46.2 | 0 | 0 | 0 | 114.3 | Q787 L788 K793 K794 | Q787-D791 PolarHBondContact O-N 2.98Å; L788-D791 PolarHBondContact O-N 3.49Å; D791-K793 PolarHBondContact O-N 3.32Å; D791-K794 PolarHBondContact O-N 2.96Å |
| 792 | H | 37.5 | Very low | 40.3 | Very low | 121 Ų | 121 | 145.6 Ų | 145.6 | 56% | 0.56 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -56.9 | -16.8 | 175.5 | -79.7 | -48.1 | 0 | 0 | 0 | 114.3 | L788 K794 Y795 | L788-H792 PolarHBondContact O-CD2 3.35Å; L788-H792 PolarHBondContact O-N 3.33Å; L788-H792 VanDerWaalsContact O-N 3.15Å; H792-K794 PolarHBondContact O-N 3.38Å; H792-Y795 PolarHBondContact O-N 2.8Å |
| 793 | K | 38.4 | Very low | 39 | Very low | 162 Ų | 162 | 147.4 Ų | 147.4 | 70% | 0.704 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -69.1 | -11.7 | 172.8 | -74.7 | 179.4 | -179.4 | 168 | 0 | 115.4 | D791 | D791-K793 PolarHBondContact O-N 3.32Š|
| 794 | K | 40.2 | Very low | 38 | Very low | 172 Ų | 172 | 150.2 Ų | 150.2 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -89.6 | -8.4 | 172.6 | -78.5 | 176.2 | 178.8 | 165.1 | 0 | 114.2 | D791 H792 | D791-K794 PolarHBondContact O-N 2.96Å; H792-K794 PolarHBondContact O-N 3.38Å |
| 795 | Y | 34.7 | Very low | 37.3 | Very low | 195 Ų | 195 | 148.3 Ų | 148.3 | 77% | 0.765 | 73% | 0.729 | S | S | * | * | | | trans | -116.3 | 62.8 | 179.9 | -75.5 | -82.7 | 0 | 0 | 0 | 112.3 | H792 P797 | H792-Y795 PolarHBondContact O-N 2.8Å; Y795-P797 VanDerWaalsContact O-CD 3.25Å; Y795-P797 WeakPolarHBondContact O-CD 3.36Å |
| 796 | F | 35 | Very low | 36.7 | Very low | 178 Ų | 178 | 153.6 Ų | 153.6 | 78% | 0.781 | 75% | 0.746 | S | S | * | * | | | trans | -72.6 | 116.8 | 162.1 | -91.5 | -83.2 | 0 | 0 | 0 | 109.8 | R798 | F796-R798 PolarHBondContact O-N 2.85Å; F796-R798 VanDerWaalsContact O-N 3.12Å |
| 797 | P | 35 | Very low | 36.6 | Very low | 116 Ų | 116 | 153.1 Ų | 153.1 | 75% | 0.753 | 75% | 0.754 | S | S | * | * | | | trans | -66.6 | 112.6 | 166.5 | 28.3 | -32.3 | 0 | 0 | 0 | 108.1 | Y795 G799 | Y795-P797 VanDerWaalsContact O-CD 3.25Å; Y795-P797 WeakPolarHBondContact O-CD 3.36Å; P797-G799 PolarHBondContact O-N 3.32Å |
| 798 | R | 38.4 | Very low | 36.4 | Very low | 254 Ų | 254 | 152.1 Ų | 152.1 | 96% | 0.958 | 76% | 0.761 | S | S | * | * | | | trans | -62.7 | 114.8 | 180 | -145 | 177.9 | -169.1 | -160.9 | 3 | 108.2 | F796 | F796-R798 PolarHBondContact O-N 2.85Å; F796-R798 VanDerWaalsContact O-N 3.12Å |
| 799 | G | 32.8 | Very low | 36 | Very low | 78 Ų | 78 | 156.3 Ų | 156.3 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | trans | -58.8 | 138.7 | -154.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | P797 | P797-G799 PolarHBondContact O-N 3.32Š|
| 800 | G | 30.3 | Very low | 35.6 | Very low | 74 Ų | 74 | 155.4 Ų | 155.4 | 76% | 0.763 | 78% | 0.775 | S | S | * | * | | | trans | -92.6 | 158.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 801 | R | 31.2 | Very low | 35.4 | Very low | 254 Ų | 254 | 157.5 Ų | 157.5 | 96% | 0.958 | 78% | 0.782 | S | S | * | * | | | trans | 67.2 | 84.2 | 169.6 | -61.1 | -175.8 | 173.6 | -173.5 | -1.8 | 117.5 | | |
| 802 | S | 35.4 | Very low | 34.9 | Very low | 121 Ų | 121 | 158.8 Ų | 158.8 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | | | | -128.7 | 120.6 | 128.5 | 52.5 | 0 | 0 | 0 | 0 | 108.9 | | |
| 803 | Q | 34.4 | Very low | 34.7 | Very low | 188 Ų | 188 | 157.2 Ų | 157.2 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | | | trans | -109.8 | 130.4 | 170.4 | -89.2 | -158.8 | -14.9 | 0 | 0 | 109.4 | | |
| 804 | P | 36.7 | Very low | 34.4 | Very low | 119 Ų | 119 | 159.6 Ų | 159.6 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | | | trans | -91.5 | 112.9 | 157.6 | 31.9 | -25 | 0 | 0 | 0 | 110.4 | | |
| 805 | F | 35.1 | Very low | 34.1 | Very low | 200 Ų | 200 | 156 Ų | 156 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | | | trans | 30.3 | 132.6 | 149.7 | -66.8 | -88.1 | 0 | 0 | 0 | 122.3 | | |
| 806 | R | 30.9 | Very low | 34 | Very low | 237 Ų | 237 | 154.3 Ų | 154.3 | 89% | 0.894 | 80% | 0.803 | S | S | * | * | | | trans | -61 | 137.8 | 158.4 | -65.4 | 173.3 | 172.5 | 175.3 | -3.5 | 111 | | |
| 807 | N | 36 | Very low | 33.8 | Very low | 157 Ų | 157 | 153.9 Ų | 153.9 | 84% | 0.84 | 81% | 0.809 | S | S | * | * | | | trans | -177.1 | 138.9 | 139.7 | -91.4 | -16.9 | 0 | 0 | 0 | 104.5 | | |
| 808 | S | 35.7 | Very low | 33.8 | Very low | 104 Ų | 104 | 154 Ų | 154 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | | | cis | 172.8 | 149.7 | -7.3 | 40.2 | 0 | 0 | 0 | 0 | 102.2 | | |
| 809 | K | 32.9 | Very low | 33.6 | Very low | 192 Ų | 192 | 151 Ų | 151 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | | | trans | -56.1 | 143.4 | -175.9 | -55.9 | 171.2 | -176 | 175.1 | 0 | 111.9 | | |
| 810 | N | 34.2 | Very low | 33.5 | Very low | 135 Ų | 135 | 154.5 Ų | 154.5 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | | | | -178.5 | 148.7 | 113 | -88.7 | -8.9 | 0 | 0 | 0 | 113.2 | | |
| 811 | Q | 36.3 | Very low | 33.8 | Very low | 160 Ų | 160 | 157.4 Ų | 157.4 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | | | trans | 29.5 | 142.3 | 133.4 | -57.9 | -153.6 | -81.2 | 0 | 0 | 121.1 | | |
| 812 | D | 32.4 | Very low | 33.7 | Very low | 117 Ų | 117 | 153.8 Ų | 153.8 | 63% | 0.626 | 80% | 0.803 | S | S | * | * | | | cis | -159.6 | 177.9 | -11.1 | -133.8 | -68 | 0 | 0 | 0 | 111.7 | | |
| 813 | S | 31.9 | Very low | 33.7 | Very low | 89 Ų | 89 | 155.8 Ų | 155.8 | 62% | 0.622 | 80% | 0.804 | S | S | * | * | | | trans | -14 | 131 | 153.7 | -53.7 | 0 | 0 | 0 | 0 | 117.5 | | |
| 814 | F | 33.7 | Very low | 33.6 | Very low | 212 Ų | 212 | 154.9 Ų | 154.9 | 93% | 0.93 | 80% | 0.803 | S | S | * | * | | | | -158.6 | 128.5 | 118.5 | -100.1 | -63.4 | 0 | 0 | 0 | 112 | | |
| 815 | S | 32.2 | Very low | 33.3 | Very low | 96 Ų | 96 | 152.1 Ų | 152.1 | 67% | 0.671 | 80% | 0.797 | S | S | * | * | | | trans | -86.5 | 155.1 | 168.9 | 56.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 816 | N | 34.2 | Very low | 33.2 | Very low | 160 Ų | 160 | 152.2 Ų | 152.2 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | | | trans | -155.9 | 130.2 | 136.3 | -102.5 | -31.4 | 0 | 0 | 0 | 112.7 | | |
| 817 | N | 29 | Very low | 33.4 | Very low | 169 Ų | 169 | 147 Ų | 147 | 90% | 0.904 | 79% | 0.791 | S | S | * | * | | | trans | -94.4 | 122.2 | 165.9 | -83.1 | -44.9 | 0 | 0 | 0 | 108.4 | | |
| 818 | S | 36 | Very low | 33.2 | Very low | 119 Ų | 119 | 146.1 Ų | 146.1 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | | | trans | -137.2 | 129.4 | 167 | 55.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 819 | K | 34.2 | Very low | 33.2 | Very low | 191 Ų | 191 | 147 Ų | 147 | 83% | 0.83 | 79% | 0.786 | S | S | * | * | | | trans | -83.7 | 170.8 | -178 | -58.7 | 174.7 | 179.1 | 173.9 | 0 | 111.8 | | |
| 820 | N | 31.1 | Very low | 33.4 | Very low | 151 Ų | 151 | 143.8 Ų | 143.8 | 81% | 0.807 | 78% | 0.783 | S | S | * | * | | | trans | 77.2 | 171.5 | 154.4 | -63.6 | -7.9 | 0 | 0 | 0 | 118.5 | | |
| 821 | V | 35.2 | Very low | 33.5 | Very low | 134 Ų | 134 | 141.2 Ų | 141.2 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | | | trans | 87.2 | 96.6 | 166.3 | -169.1 | 0 | 0 | 0 | 0 | 115.5 | | |
| 822 | H | 31.1 | Very low | 33.5 | Very low | 178 Ų | 178 | 140.1 Ų | 140.1 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | | | trans | -47.9 | 143.3 | 151.7 | -71.5 | -87.9 | 0 | 0 | 0 | 110.8 | | |
| 823 | N | 35.2 | Very low | 33.8 | Very low | 164 Ų | 164 | 142.1 Ų | 142.1 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | | | | -166.8 | 161.1 | 115.1 | -104 | -39.4 | 0 | 0 | 0 | 114.3 | | |
| 824 | I | 31.7 | Very low | 34 | Very low | 168 Ų | 168 | 149 Ų | 149 | 86% | 0.862 | 80% | 0.795 | S | S | * | * | | | trans | -105.4 | 126.9 | -180 | -66.3 | 168.3 | 0 | 0 | 0 | 110.2 | | |
| 825 | G | 29.3 | Very low | 34.3 | Very low | 62 Ų | 62 | 143.1 Ų | 143.1 | 64% | 0.639 | 78% | 0.78 | S | S | * | * | | | trans | 106.9 | 160.3 | 135.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 826 | K | 35 | Very low | 34.8 | Very low | 202 Ų | 202 | 145.8 Ų | 145.8 | 88% | 0.878 | 79% | 0.785 | S | S | * | * | | | trans | 71.7 | 155.6 | 178.1 | -49 | 173.1 | -175.1 | 173.2 | 0 | 112.1 | | |
| 827 | V | 33.7 | Very low | 35.2 | Very low | 127 Ų | 127 | 147.1 Ų | 147.1 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | | | cis | -146.1 | 151.6 | 32 | 164.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 828 | I | 32.4 | Very low | 35.9 | Very low | 139 Ų | 139 | 142.5 Ų | 142.5 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | | | cis | -100 | -102.2 | 6.7 | -46.7 | 165.8 | 0 | 0 | 0 | 111.2 | | |
| 829 | T | 36.5 | Very low | 36.1 | Very low | 122 Ų | 122 | 145.6 Ų | 145.6 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | | | cis | -149.7 | 163.9 | -2.4 | -40.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 830 | T | 35.9 | Very low | 36.4 | Very low | 125 Ų | 125 | 143 Ų | 143 | 77% | 0.767 | 77% | 0.769 | S | S | * | * | | | trans | -85.9 | 147.7 | -169.1 | 46.8 | 0 | 0 | 0 | 0 | 114.9 | | |
| 831 | A | 36.3 | Very low | 36.9 | Very low | 80 Ų | 80 | 142.7 Ų | 142.7 | 66% | 0.661 | 77% | 0.767 | S | S | * | * | | | cis | -166.9 | 166.6 | 0.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 832 | N | 35.7 | Very low | 37.2 | Very low | 138 Ų | 138 | 151.7 Ų | 151.7 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | | | trans | 65.5 | 144.6 | 169.9 | -65.5 | -46 | 0 | 0 | 0 | 116.7 | | |
| 833 | K | 40 | Very low | 37.5 | Very low | 158 Ų | 158 | 150.4 Ų | 150.4 | 69% | 0.687 | 78% | 0.784 | S | S | * | * | | | cis | -160.1 | 129.1 | -7 | -119.8 | 165.2 | -170.5 | 173.4 | 0 | 109.5 | | |
| 834 | R | 36.5 | Very low | 37.7 | Very low | 235 Ų | 235 | 149.6 Ų | 149.6 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | | | trans | 64.2 | 155.1 | 152.8 | -66.5 | 177.6 | -175.9 | 177.3 | -0.2 | 117.3 | | |
| 835 | S | 39.3 | Very low | 38 | Very low | 87 Ų | 87 | 148.6 Ų | 148.6 | 61% | 0.608 | 78% | 0.775 | S | S | * | * | | | cis | -172.8 | 131.2 | -17.6 | 168.4 | 0 | 0 | 0 | 0 | 112 | | |
| 836 | I | 43.4 | Very low | 38.5 | Very low | 153 Ų | 153 | 153.7 Ų | 153.7 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | | | trans | 67.9 | 154 | 150.5 | -72.2 | 172.4 | 0 | 0 | 0 | 118 | | |
| 837 | K | 42.1 | Very low | 38.7 | Very low | 188 Ų | 188 | 150.7 Ų | 150.7 | 82% | 0.817 | 78% | 0.777 | S | S | * | * | | | cis | -178.9 | 131.8 | -32.8 | -169.4 | 176.6 | -176.2 | 177.5 | 0 | 108.5 | | |
| 838 | G | 43.3 | Very low | 39.1 | Very low | 71 Ų | 71 | 152.3 Ų | 152.3 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | | | trans | 158.3 | 94.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 839 | K | 40.8 | Very low | 39.5 | Very low | 185 Ų | 185 | 153.2 Ų | 153.2 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | | 75.3 | 85.9 | 78.6 | -82.4 | -161.5 | 167 | -169.1 | 0 | 115.4 | | |
| 840 | N | 40.9 | Very low | 39.8 | Very low | 136 Ų | 136 | 155.6 Ų | 155.6 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | | 68.6 | 132.6 | 117.1 | -76.7 | 64.3 | 0 | 0 | 0 | 122.4 | | |
| 841 | N | 40.6 | Very low | 40.1 | Very low | 144 Ų | 144 | 158.2 Ų | 158.2 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | | | trans | 73.9 | 91.2 | 145.4 | -58.7 | 16 | 0 | 0 | 0 | 118.3 | | |
| 842 | R | 42.3 | Very low | 40.4 | Very low | 323 Ų | 323 | 165.3 Ų | 165.3 | 100% | 1.219 | 80% | 0.798 | S | S | * | * | | | | -140.1 | 0 | 96 | -145.3 | 173.2 | -167.5 | 172.3 | 4.1 | 110.9 | | |