| 1 | M | 39.5 | Very low | 54.9 | Low | 246 Ų | 246 | 157.9 Ų | 157.9 | 100% | 1.212 | 83% | 0.834 | S | S | * | * | | | | 0 | 112.8 | 0 | -161.1 | 95.6 | -175.8 | 0 | 0 | 105.8 | | |
| 2 | E | 48.5 | Very low | 55.6 | Low | 194 Ų | 194 | 158 Ų | 158 | 91% | 0.907 | 83% | 0.834 | S | S | * | * | | | trans | -75.4 | 151.4 | -167.2 | -58.5 | -139.7 | 103.7 | 0 | 0 | 112.9 | | |
| 3 | A | 57 | Low | 55.9 | Low | 89 Ų | 89 | 154.9 Ų | 154.9 | 74% | 0.736 | 82% | 0.824 | S | S | * | * | | | trans | -82.6 | 145.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 4 | P | 50.5 | Low | 56.1 | Low | 118 Ų | 118 | 152.6 Ų | 152.6 | 77% | 0.766 | 82% | 0.823 | S | S | * | * | | | trans | -96.9 | 112.1 | 162.5 | 26.4 | -14.7 | 0 | 0 | 0 | 110.5 | | |
| 5 | L | 61.8 | Low | 55.7 | Low | 165 Ų | 165 | 153.5 Ų | 153.5 | 86% | 0.864 | 83% | 0.827 | S | S | * | * | | | trans | -85.3 | 110.9 | 161.8 | -69.2 | 172.7 | 0 | 0 | 0 | 107.9 | | |
| 6 | Q | 50.9 | Low | 55.5 | Low | 187 Ų | 187 | 147 Ų | 147 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | | | trans | -116.8 | 90.1 | 169.5 | -65.1 | -125.1 | 76.4 | 0 | 0 | 108.4 | | |
| 7 | T | 58.3 | Low | 54.8 | Low | 121 Ų | 121 | 150.5 Ų | 150.5 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | | | trans | -90.7 | 97.3 | 165.7 | -58.2 | 0 | 0 | 0 | 0 | 107 | M9 | T7-M9 HydrophobicContact CG2-CG 4.33Å; T7-M9 PolarHBondContact O-N 3.21Å |
| 8 | E | 57.6 | Low | 53.8 | Low | 172 Ų | 172 | 151.8 Ų | 151.8 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | | | trans | -71.5 | 106.2 | 172.8 | -170.8 | -176.6 | 103.8 | 0 | 0 | 108.7 | V10 | E8-V10 HydrophobicContact CG-CG2 4.05Å; E8-V10 WeakPolarHBondContact OE1-CG2 3.31Å |
| 9 | M | 55.3 | Low | 53.3 | Low | 169 Ų | 169 | 147.3 Ų | 147.3 | 83% | 0.833 | 79% | 0.794 | S | S | * | * | | | trans | -96.1 | 106.5 | 165.2 | -66.7 | -155 | -58.5 | 0 | 0 | 107.8 | T7 E11 | T7-M9 HydrophobicContact CG2-CG 4.33Å; T7-M9 PolarHBondContact O-N 3.21Å; M9-E11 PolarHBondContact O-N 2.76Å |
| 10 | V | 62.3 | Low | 52.9 | Low | 104 Ų | 104 | 148.6 Ų | 148.6 | 63% | 0.63 | 79% | 0.794 | S | S | * | * | | | trans | -78.7 | 113.9 | 177.6 | -167.1 | 0 | 0 | 0 | 0 | 108.9 | E8 L12 | E8-V10 HydrophobicContact CG-CG2 4.05Å; E8-V10 WeakPolarHBondContact OE1-CG2 3.31Å; V10-L12 PolarHBondContact O-N 2.9Å |
| 11 | E | 62 | Low | 52.3 | Low | 172 Ų | 172 | 144.7 Ų | 144.7 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | trans | -72.7 | 118.2 | 179.2 | -171.2 | -179.4 | 142.6 | 0 | 0 | 110.7 | M9 | M9-E11 PolarHBondContact O-N 2.76Š|
| 12 | L | 63.8 | Low | 52.3 | Low | 159 Ų | 159 | 141.3 Ų | 141.3 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | | | trans | -96.3 | 111.8 | 175.6 | -67.1 | 171.8 | 0 | 0 | 0 | 109.9 | V10 | V10-L12 PolarHBondContact O-N 2.9Š|
| 13 | V | 59.3 | Low | 52 | Low | 118 Ų | 118 | 139.3 Ų | 139.3 | 72% | 0.715 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 132.6 | 175.4 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 14 | P | 58.8 | Low | 51.9 | Low | 123 Ų | 123 | 140.7 Ų | 140.7 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 121 | 174.8 | 32.7 | -27.6 | 0 | 0 | 0 | 110.7 | | |
| 15 | N | 49.6 | Very low | 51 | Low | 165 Ų | 165 | 141.9 Ų | 141.9 | 88% | 0.882 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 134.2 | 171.1 | -162.8 | 19.9 | 0 | 0 | 0 | 110.3 | | |
| 16 | G | 53.1 | Low | 50.4 | Low | 50 Ų | 50 | 141.3 Ų | 141.3 | 52% | 0.515 | 77% | 0.772 | S | S | . | * | | | trans | -104.9 | 169.6 | -167.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 17 | K | 42.9 | Very low | 49.7 | Very low | 206 Ų | 206 | 138.1 Ų | 138.1 | 90% | 0.896 | 77% | 0.766 | S | S | * | * | | | trans | 80.8 | 135.9 | 163 | -34.6 | -57.5 | 174.3 | 170.2 | 0 | 114.3 | | |
| 18 | H | 36.8 | Very low | 49.3 | Very low | 175 Ų | 175 | 137.6 Ų | 137.6 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | | | cis | -159.2 | 174.9 | 49.1 | -167.2 | -96.1 | 0 | 0 | 0 | 111.9 | | |
| 19 | S | 44.6 | Very low | 48.5 | Very low | 66 Ų | 66 | 137.4 Ų | 137.4 | 46% | 0.462 | 77% | 0.766 | S | S | . | * | | | trans | -100 | 164.5 | -152.6 | 38.2 | 0 | 0 | 0 | 0 | 118.1 | | |
| 20 | E | 44.8 | Very low | 48 | Very low | 172 Ų | 172 | 133.8 Ų | 133.8 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | | | trans | 57.8 | 130.6 | 147.8 | 72.5 | -127.2 | 127.6 | 0 | 0 | 123.5 | | |
| 21 | G | 41.4 | Very low | 46.8 | Very low | 67 Ų | 67 | 132.1 Ų | 132.1 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | | | trans | 154.5 | 103.5 | 154.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 22 | L | 38.4 | Very low | 46.3 | Very low | 176 Ų | 176 | 131.7 Ų | 131.7 | 92% | 0.921 | 77% | 0.77 | S | S | * | * | | | trans | 76.2 | 109.3 | 144.7 | -67.8 | 138.2 | 0 | 0 | 0 | 120.7 | | |
| 23 | L | 42.8 | Very low | 44.8 | Very low | 151 Ų | 151 | 133.3 Ų | 133.3 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | | | trans | -72.1 | 165.9 | 147.1 | -69.6 | -106.5 | 0 | 0 | 0 | 107.9 | | |
| 24 | P | 54.8 | Low | 44.6 | Very low | 119 Ų | 119 | 138.6 Ų | 138.6 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | | | cis | -137.7 | 166.8 | 14.2 | 39.6 | -21.3 | 0 | 0 | 0 | 114.4 | | |
| 25 | V | 31.1 | Very low | 44 | Very low | 142 Ų | 142 | 138.3 Ų | 138.3 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | | | trans | 172.6 | 147.7 | 131.5 | 75.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 26 | I | 49.3 | Very low | 43.1 | Very low | 153 Ų | 153 | 138.3 Ų | 138.3 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | | | trans | -76.2 | 133.7 | -164.9 | -51.6 | 163.3 | 0 | 0 | 0 | 110 | | |
| 27 | T | 37.5 | Very low | 42.7 | Very low | 120 Ų | 120 | 141.4 Ų | 141.4 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | | | trans | 13 | 138.4 | 153.9 | -28.4 | 0 | 0 | 0 | 0 | 116.9 | | |
| 28 | P | 49.6 | Very low | 42.8 | Very low | 111 Ų | 111 | 137.7 Ų | 137.7 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | | | | -156 | 167.9 | 55.7 | 40.2 | -17.4 | 0 | 0 | 0 | 120.2 | | |
| 29 | M | 40.5 | Very low | 43.1 | Very low | 168 Ų | 168 | 132.9 Ų | 132.9 | 83% | 0.828 | 76% | 0.763 | S | S | * | * | | | trans | 77.6 | 128.5 | 148.9 | -83.8 | -75.9 | -65.6 | 0 | 0 | 120.3 | | |
| 30 | A | 45.7 | Very low | 43.5 | Very low | 92 Ų | 92 | 140.4 Ų | 140.4 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | | | trans | 46.5 | 96.1 | 145.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 31 | G | 36.7 | Very low | 43.4 | Very low | 69 Ų | 69 | 136.3 Ų | 136.3 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | | | trans | 158.5 | 112.9 | 161.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 32 | N | 51.6 | Low | 43.7 | Very low | 163 Ų | 163 | 139.2 Ų | 139.2 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | | | trans | 24.9 | 106.1 | 158 | -70.4 | -11.7 | 0 | 0 | 0 | 116.9 | | |
| 33 | Q | 30.7 | Very low | 44 | Very low | 194 Ų | 194 | 138.8 Ų | 138.8 | 91% | 0.907 | 78% | 0.775 | S | S | * | * | | | trans | -147.5 | 121 | 144 | -81.5 | -136 | 101.9 | 0 | 0 | 112.5 | | |
| 34 | R | 55 | Low | 44 | Very low | 228 Ų | 228 | 140.6 Ų | 140.6 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | | | trans | -60.9 | 152 | 153.7 | 166.9 | 176.1 | -173.8 | -178.5 | 4.2 | 109.3 | | |
| 35 | V | 46.8 | Very low | 43.9 | Very low | 118 Ų | 118 | 138 Ų | 138 | 72% | 0.715 | 77% | 0.774 | S | S | * | * | | | trans | 76.6 | 108.5 | 170.1 | 166.6 | 0 | 0 | 0 | 0 | 115.4 | | |
| 36 | E | 31.2 | Very low | 44.6 | Very low | 165 Ų | 165 | 140.8 Ų | 140.8 | 77% | 0.771 | 78% | 0.775 | S | S | * | * | | | | -179.5 | 140.3 | 115.9 | -105.6 | -84.8 | 74.1 | 0 | 0 | 108.8 | | |
| 37 | D | 43.9 | Very low | 44.5 | Very low | 115 Ų | 115 | 137.7 Ų | 137.7 | 62% | 0.615 | 77% | 0.766 | S | S | * | * | | | trans | -37.8 | 135 | 166.7 | -161.9 | -79.8 | 0 | 0 | 0 | 111.4 | A39 | D37-A39 PolarHBondContact O-N 2.94Å; D37-A39 PolarHBondContact OD1-N 3.47Å |
| 38 | P | 45.4 | Very low | 45.2 | Very low | 127 Ų | 127 | 140.8 Ų | 140.8 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | | | trans | -77.3 | 48.5 | 175.5 | 33.5 | -32.1 | 0 | 0 | 0 | 111 | R40 | P38-R40 PolarHBondContact O-N 2.9Š|
| 39 | A | 44.3 | Very low | 45.2 | Very low | 74 Ų | 74 | 143.3 Ų | 143.3 | 61% | 0.612 | 78% | 0.777 | S | S | * | * | | | trans | -72.5 | 46.9 | 160.1 | 0 | 0 | 0 | 0 | 0 | 111 | D37 | D37-A39 PolarHBondContact O-N 2.94Å; D37-A39 PolarHBondContact OD1-N 3.47Å |
| 40 | R | 51.4 | Low | 45.7 | Very low | 224 Ų | 224 | 144.7 Ų | 144.7 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | | | trans | -149 | 83.4 | 166.1 | -69.6 | -162.7 | -174.9 | 176.9 | 5.3 | 111 | P38 | P38-R40 PolarHBondContact O-N 2.9Š|
| 41 | S | 42.4 | Very low | 45.5 | Very low | 86 Ų | 86 | 149.1 Ų | 149.1 | 60% | 0.601 | 78% | 0.783 | S | S | * | * | | | trans | -127 | 69.6 | 138.7 | -167.3 | 0 | 0 | 0 | 0 | 108.4 | M43 | S41-M43 PolarHBondContact O-N 3.29Š|
| 42 | C | 48.4 | Very low | 45.5 | Very low | 128 Ų | 128 | 150.7 Ų | 150.7 | 87% | 0.865 | 78% | 0.783 | S | S | * | * | | | trans | -70.8 | 65.3 | 154 | -61.7 | 0 | 0 | 0 | 0 | 107.4 | E44 | C42-E44 PolarHBondContact O-N 3.22Š|
| 43 | M | 45.7 | Very low | 45.5 | Very low | 167 Ų | 167 | 149.3 Ų | 149.3 | 82% | 0.823 | 78% | 0.783 | S | S | * | * | | | trans | -84.1 | 98.5 | 165.8 | -98.8 | -175.9 | 146.6 | 0 | 0 | 107.2 | S41 G45 | S41-M43 PolarHBondContact O-N 3.29Å; M43-G45 PolarHBondContact O-N 2.95Å |
| 44 | E | 42.6 | Very low | 46.3 | Very low | 190 Ų | 190 | 144.8 Ų | 144.8 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | | | trans | -45.7 | 99.8 | 161.5 | -178.6 | 160.6 | -161.1 | 0 | 0 | 110.2 | C42 | C42-E44 PolarHBondContact O-N 3.22Š|
| 45 | G | 52.8 | Low | 45.9 | Very low | 63 Ų | 63 | 143.4 Ų | 143.4 | 65% | 0.649 | 77% | 0.773 | S | S | * | * | | | trans | -134.2 | 35.7 | 174 | 0 | 0 | 0 | 0 | 0 | 110.5 | M43 | M43-G45 PolarHBondContact O-N 2.95Š|
| 46 | K | 44.2 | Very low | 46 | Very low | 202 Ų | 202 | 146 Ų | 146 | 88% | 0.878 | 78% | 0.777 | S | S | * | * | | | trans | -99.7 | 58.5 | -179.7 | -56 | 175.9 | -173.7 | 168.7 | 0 | 110.6 | | |
| 47 | S | 47.4 | Very low | 47.1 | Very low | 87 Ų | 87 | 143.8 Ų | 143.8 | 61% | 0.608 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -159.4 | -7.7 | 175.6 | 56.7 | 0 | 0 | 0 | 0 | 117.3 | | |
| 48 | F | 52.8 | Low | 47.5 | Very low | 185 Ų | 185 | 144.9 Ų | 144.9 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -107.9 | -1.7 | -166.5 | -72.1 | -69 | 0 | 0 | 0 | 117.5 | | |
| 49 | L | 50 | Low | 47.8 | Very low | 165 Ų | 165 | 145.4 Ų | 145.4 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | | | trans | -147.9 | 53.6 | 176.9 | -137.5 | 104.1 | 0 | 0 | 0 | 115.4 | K51 | L49-K51 PolarHBondContact O-N 2.83Š|
| 50 | Q | 51 | Low | 48.3 | Very low | 196 Ų | 196 | 147.3 Ų | 147.3 | 92% | 0.916 | 77% | 0.772 | S | S | * | * | | | trans | -78 | 90.3 | 156.1 | -172.1 | 175.7 | 3.4 | 0 | 0 | 109 | | |
| 51 | K | 40.2 | Very low | 48.2 | Very low | 186 Ų | 186 | 142.1 Ų | 142.1 | 81% | 0.809 | 76% | 0.761 | S | S | * | * | | | trans | -158.1 | 116.2 | 153.6 | -140.3 | 140.9 | -178.8 | -172.7 | 0 | 115.7 | L49 | L49-K51 PolarHBondContact O-N 2.83Š|
| 52 | S | 38.3 | Very low | 48.6 | Very low | 102 Ų | 102 | 144.9 Ų | 144.9 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | | | trans | 79.4 | 134.6 | 156.9 | 69.2 | 0 | 0 | 0 | 0 | 120.3 | | |
| 53 | P | 51.4 | Low | 48.4 | Very low | 133 Ų | 133 | 148.8 Ų | 148.8 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | | | trans | -90.9 | 105.2 | -178.2 | 34.9 | -29.8 | 0 | 0 | 0 | 110.7 | | |
| 54 | S | 46.4 | Very low | 49 | Very low | 100 Ų | 100 | 144.7 Ų | 144.7 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | | | trans | -158.7 | 110.8 | 161.7 | 60.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 55 | K | 48 | Very low | 50 | Low | 199 Ų | 199 | 139.9 Ų | 139.9 | 87% | 0.865 | 75% | 0.745 | S | S | * | * | | | trans | 64.5 | 84.9 | 167.2 | -58.2 | -177.9 | -176.3 | 167.2 | 0 | 113.9 | P57 | K55-P57 VanDerWaalsContact O-CD 3.31Å; K55-P57 WeakPolarHBondContact O-CD 3.4Å |
| 56 | E | 48.5 | Very low | 50.7 | Low | 172 Ų | 172 | 140.3 Ų | 140.3 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | | | trans | -63.7 | 121.6 | 168.5 | -52.2 | -140.1 | 157.5 | 0 | 0 | 109.5 | H58 | E56-H58 PolarHBondContact O-N 2.95Š|
| 57 | P | 54 | Low | 52.1 | Low | 118 Ų | 118 | 134 Ų | 134 | 77% | 0.766 | 72% | 0.717 | S | S | * | * | | | trans | -69.9 | 89.4 | 154.9 | 29.7 | -27.5 | 0 | 0 | 0 | 105.6 | K55 F59 | K55-P57 VanDerWaalsContact O-CD 3.31Å; K55-P57 WeakPolarHBondContact O-CD 3.4Å; P57-F59 PolarHBondContact O-N 3.1Å |
| 58 | H | 52.4 | Low | 53.4 | Low | 138 Ų | 138 | 138.5 Ų | 138.5 | 64% | 0.639 | 73% | 0.725 | S | S | * | * | | | trans | -59.4 | 84.3 | 174 | -169.8 | 75.7 | 0 | 0 | 0 | 108.9 | E56 D61 | E56-H58 PolarHBondContact O-N 2.95Å; H58-D61 IonicContact CE1-OD2 2.9Å; H58-D61 PolarHBondContact CE1-OD2 3.22Å; H58-D61 IonicContact ND1-OD2 3.72Å; H58-D61 IonicContact NE2-OD2 3.47Å; H58-D61 PolarHBondContact NE2-OD2 2.91Å |
| 59 | F | 52.3 | Low | 54.7 | Low | 138 Ų | 138 | 131 Ų | 131 | 61% | 0.605 | 70% | 0.701 | S | S | * | * | | | trans | -131.1 | 5 | -178.5 | -157.8 | -100.4 | 0 | 0 | 0 | 113.3 | P57 K65 | P57-F59 PolarHBondContact O-N 3.1Å; F59-K65 HydrophobicContact CD1-CD 4.16Å; F59-K65 HydrophobicContact CE1-CD 3.77Å; F59-K65 HydrophobicContact CZ-CD 4.26Å |
| 60 | T | 55 | Low | 56 | Low | 115 Ų | 115 | 128.4 Ų | 128.4 | 71% | 0.706 | 69% | 0.686 | S | S | * | * | | | trans | -115.4 | 25.1 | -171.1 | 55.2 | 0 | 0 | 0 | 0 | 114.9 | | |
| 61 | D | 47.5 | Very low | 57.2 | Low | 114 Ų | 114 | 121.8 Ų | 121.8 | 61% | 0.61 | 66% | 0.661 | S | S | * | * | | | trans | -105.1 | 22.4 | 179.2 | -67.8 | 0.8 | 0 | 0 | 0 | 113.3 | H58 | H58-D61 IonicContact CE1-OD2 2.9Å; H58-D61 PolarHBondContact CE1-OD2 3.22Å; H58-D61 IonicContact ND1-OD2 3.72Å; H58-D61 IonicContact NE2-OD2 3.47Å; H58-D61 PolarHBondContact NE2-OD2 2.91Å |
| 62 | F | 51.3 | Low | 59.1 | Low | 144 Ų | 144 | 116.4 Ų | 116.4 | 63% | 0.632 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -105.9 | 110.9 | 165.9 | -83.7 | -97.2 | 0 | 0 | 0 | 108.5 | G64 K65 | F62-G64 VanDerWaalsContact C-N 3.32Å; F62-G64 PolarHBondContact O-N 3.22Å; F62-K65 HydrophobicContact CB-CB 4.41Å; F62-K65 HydrophobicContact CB-CD 3.75Å; F62-K65 HydrophobicContact CB-CG 3.75Å; F62-K65 HydrophobicContact CD2-CD 4.36Å; F62-K65 HydrophobicContact CG-CD 4.32Å; F62-K65 PolarHBondContact O-N 3.12Å |
| 63 | E | 44.9 | Very low | 61.2 | Low | 210 Ų | 210 | 118.6 Ų | 118.6 | 98% | 0.981 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.8 | 96.7 | 163 | -167.6 | 177 | -179.6 | 0 | 0 | 108.2 | | |
| 64 | G | 57.7 | Low | 62.3 | Low | 81 Ų | 81 | 117.2 Ų | 117.2 | 84% | 0.835 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 122.4 | -3.3 | -175 | 0 | 0 | 0 | 0 | 0 | 117.8 | F62 T66 | F62-G64 VanDerWaalsContact C-N 3.32Å; F62-G64 PolarHBondContact O-N 3.22Å; G64-T66 PolarHBondContact O-N 3.49Å |
| 65 | K | 64.4 | Low | 64 | Low | 90 Ų | 90 | 117.2 Ų | 117.2 | 39% | 0.391 | 62% | 0.617 | S | S | . | * | | | trans | -81.8 | 101.2 | 175.9 | -81.8 | -177.3 | -175 | 172 | 0 | 112 | F59 F62 S67 | F59-K65 HydrophobicContact CD1-CD 4.16Å; F59-K65 HydrophobicContact CE1-CD 3.77Å; F59-K65 HydrophobicContact CZ-CD 4.26Å; F62-K65 HydrophobicContact CB-CB 4.41Å; F62-K65 HydrophobicContact CB-CD 3.75Å; F62-K65 HydrophobicContact CB-CG 3.75Å; F62-K65 HydrophobicContact CD2-CD 4.36Å; F62-K65 HydrophobicContact CG-CD 4.32Å; F62-K65 PolarHBondContact O-N 3.12Å; K65-S67 PolarHBondContact O-N 2.76Å |
| 66 | T | 67.2 | Low | 65.6 | Low | 72 Ų | 72 | 110.6 Ų | 110.6 | 44% | 0.442 | 60% | 0.596 | S | S | . | * | | | trans | -47.2 | 125.4 | 162.9 | -179.7 | 0 | 0 | 0 | 0 | 109.7 | G64 M70 S71 | G64-T66 PolarHBondContact O-N 3.49Å; T66-M70 VanDerWaalsContact OG1-C 3.29Å; T66-M70 WeakPolarHBondContact OG1-CB 3.3Å; T66-M70 WeakPolarHBondContact OG1-CG 3.39Å; T66-S71 PolarHBondContact OG1-N 3.07Å |
| 67 | S | 73.3 | Confident | 67 | Low | 70 Ų | 70 | 107.9 Ų | 107.9 | 49% | 0.49 | 59% | 0.587 | S | S | . | * | | | trans | -59.6 | 157.4 | -178 | 76.1 | 0 | 0 | 0 | 0 | 110.6 | K65 G69 M70 S71 | K65-S67 PolarHBondContact O-N 2.76Å; S67-G69 CarbonylContact O-C 3.53Å; S67-G69 PolarHBondContact O-N 3.25Å; S67-G69 VanDerWaalsContact O-N 3.12Å; S67-M70 CarbonylContact O-C 3.58Å; S67-M70 WeakPolarHBondContact O-CA 3.48Å; S67-M70 PolarHBondContact O-N 2.93Å; S67-M70 WeakPolarHBondContact OG-CB 3.27Å; S67-M70 PolarHBondContact OG-N 3.44Å; S67-M70 VanDerWaalsContact OG-N 3.1Å; S67-S71 WeakPolarHBondContact O-CB 3.19Å; S67-S71 PolarHBondContact O-N 3.28Å |
| 68 | F | 74.9 | Confident | 68.1 | Low | 180 Ų | 180 | 105.6 Ų | 105.6 | 79% | 0.789 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -50.8 | -41 | 177.1 | 178 | -100 | 0 | 0 | 0 | 112.1 | S71 V72 | F68-S71 PolarHBondContact O-N 2.86Å; F68-V72 HydrophobicContact CE1-CG2 4.18Å; F68-V72 HydrophobicContact CE2-CG2 4.16Å; F68-V72 HydrophobicContact CZ-CG2 3.98Å; F68-V72 VanDerWaalsContact O-CG2 3.3Å; F68-V72 WeakPolarHBondContact O-CG2 3.49Å; F68-V72 PolarHBondContact O-N 3.38Å |
| 69 | G | 78.9 | Confident | 69.4 | Low | 29 Ų | 29 | 103.1 Ų | 103.1 | 30% | 0.299 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60.1 | -56.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | S67 S71 V72 F73 | S67-G69 CarbonylContact O-C 3.53Å; S67-G69 PolarHBondContact O-N 3.25Å; S67-G69 VanDerWaalsContact O-N 3.12Å; G69-S71 PolarHBondContact O-N 2.6Å; G69-V72 PolarHBondContact O-N 2.88Å; G69-F73 VanDerWaalsContact C-CD2 3.46Å; G69-F73 WeakPolarHBondContact O-CB 2.89Å; G69-F73 WeakPolarHBondContact O-CD2 3.49Å; G69-F73 WeakPolarHBondContact O-CG 3.45Å; G69-F73 PolarHBondContact O-N 2.85Å |
| 70 | M | 78.3 | Confident | 70.5 | Confident | 110 Ų | 110 | 104.1 Ų | 104.1 | 54% | 0.542 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -60.5 | -31.1 | -178.8 | -166.8 | 81.9 | -177.3 | 0 | 0 | 112.9 | T66 S67 N74 | T66-M70 VanDerWaalsContact OG1-C 3.29Å; T66-M70 WeakPolarHBondContact OG1-CB 3.3Å; T66-M70 WeakPolarHBondContact OG1-CG 3.39Å; S67-M70 CarbonylContact O-C 3.58Å; S67-M70 WeakPolarHBondContact O-CA 3.48Å; S67-M70 PolarHBondContact O-N 2.93Å; S67-M70 WeakPolarHBondContact OG-CB 3.27Å; S67-M70 PolarHBondContact OG-N 3.44Å; S67-M70 VanDerWaalsContact OG-N 3.1Å; M70-N74 VanDerWaalsContact O-CB 3.22Å; M70-N74 WeakPolarHBondContact O-CB 3.21Å; M70-N74 PolarHBondContact O-N 3.01Å |
| 71 | S | 77 | Confident | 71.5 | Confident | 56 Ų | 56 | 100.7 Ų | 100.7 | 39% | 0.392 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -71.4 | -45.4 | 176.1 | 179.6 | 0 | 0 | 0 | 0 | 112.4 | T66 S67 F68 G69 F73 N74 L75 | T66-S71 PolarHBondContact OG1-N 3.07Å; S67-S71 WeakPolarHBondContact O-CB 3.19Å; S67-S71 PolarHBondContact O-N 3.28Å; F68-S71 PolarHBondContact O-N 2.86Å; G69-S71 PolarHBondContact O-N 2.6Å; S71-F73 VanDerWaalsContact C-N 3.33Å; S71-N74 PolarHBondContact O-N 2.91Å; S71-L75 VanDerWaalsContact O-CB 3.27Å; S71-L75 WeakPolarHBondContact O-CB 3.4Å; S71-L75 PolarHBondContact O-N 3.38Å |
| 72 | V | 79.5 | Confident | 72.9 | Confident | 73 Ų | 73 | 100.2 Ų | 100.2 | 44% | 0.442 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.7 | -39.5 | 175.1 | 174.2 | 0 | 0 | 0 | 0 | 110.4 | F68 G69 S76 | F68-V72 HydrophobicContact CE1-CG2 4.18Å; F68-V72 HydrophobicContact CE2-CG2 4.16Å; F68-V72 HydrophobicContact CZ-CG2 3.98Å; F68-V72 VanDerWaalsContact O-CG2 3.3Å; F68-V72 WeakPolarHBondContact O-CG2 3.49Å; F68-V72 PolarHBondContact O-N 3.38Å; G69-V72 PolarHBondContact O-N 2.88Å; V72-S76 WeakPolarHBondContact O-CB 3.22Å; V72-S76 PolarHBondContact O-N 3.12Å |
| 73 | F | 82.3 | Confident | 74.3 | Confident | 149 Ų | 149 | 95.1 Ų | 95.1 | 65% | 0.654 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.5 | -43 | 174.3 | -72.2 | -61.9 | 0 | 0 | 0 | 112.3 | G69 S71 S76 N77 | G69-F73 VanDerWaalsContact C-CD2 3.46Å; G69-F73 WeakPolarHBondContact O-CB 2.89Å; G69-F73 WeakPolarHBondContact O-CD2 3.49Å; G69-F73 WeakPolarHBondContact O-CG 3.45Å; G69-F73 PolarHBondContact O-N 2.85Å; S71-F73 VanDerWaalsContact C-N 3.33Å; F73-S76 WeakPolarHBondContact CA-OG 3.49Å; F73-S76 PolarHBondContact O-N 3.33Å; F73-S76 PolarHBondContact O-OG 2.88Å; F73-N77 PolarHBondContact O-N 3.44Å |
| 74 | N | 74.3 | Confident | 76.1 | Confident | 104 Ų | 104 | 89.6 Ų | 89.6 | 56% | 0.556 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.6 | -39.8 | 176.8 | -166.6 | 7.8 | 0 | 0 | 0 | 111.7 | M70 S71 S76 N77 A78 | M70-N74 VanDerWaalsContact O-CB 3.22Å; M70-N74 WeakPolarHBondContact O-CB 3.21Å; M70-N74 PolarHBondContact O-N 3.01Å; S71-N74 PolarHBondContact O-N 2.91Å; N74-S76 VanDerWaalsContact C-N 3.32Å; N74-S76 PolarHBondContact O-N 3.24Å; N74-N77 PolarHBondContact O-N 3.24Å; N74-A78 PolarHBondContact O-N 3.25Å |
| 75 | L | 82.6 | Confident | 77.3 | Confident | 100 Ų | 100 | 92 Ų | 92 | 52% | 0.524 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.1 | -39.5 | 172.8 | -179.6 | 61.6 | 0 | 0 | 0 | 111.7 | S71 N77 A78 I79 | S71-L75 VanDerWaalsContact O-CB 3.27Å; S71-L75 WeakPolarHBondContact O-CB 3.4Å; S71-L75 PolarHBondContact O-N 3.38Å; L75-N77 VanDerWaalsContact C-N 3.25Å; L75-N77 PolarHBondContact O-N 2.95Å; L75-A78 WeakPolarHBondContact O-CB 3.11Å; L75-A78 PolarHBondContact O-N 2.78Å; L75-A78 VanDerWaalsContact O-N 3.12Å; L75-I79 HydrophobicContact CD1-CD1 3.8Å; L75-I79 HydrophobicContact CD1-CG1 4.02Å; L75-I79 HydrophobicContact CD2-CD1 4.31Å; L75-I79 HydrophobicContact CG-CD1 3.72Å; L75-I79 HydrophobicContact CG-CG1 4.31Å; L75-I79 WeakPolarHBondContact O-CG1 3.32Å; L75-I79 PolarHBondContact O-N 2.96Å |
| 76 | S | 80.9 | Confident | 78.2 | Confident | 60 Ų | 60 | 89.6 Ų | 89.6 | 42% | 0.42 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60 | -38.1 | 177.3 | 73.8 | 0 | 0 | 0 | 0 | 111.8 | V72 F73 N74 I79 M80 | V72-S76 WeakPolarHBondContact O-CB 3.22Å; V72-S76 PolarHBondContact O-N 3.12Å; F73-S76 WeakPolarHBondContact CA-OG 3.49Å; F73-S76 PolarHBondContact O-N 3.33Å; F73-S76 PolarHBondContact O-OG 2.88Å; N74-S76 VanDerWaalsContact C-N 3.32Å; N74-S76 PolarHBondContact O-N 3.24Å; S76-I79 PolarHBondContact O-N 3.12Å; S76-M80 WeakPolarHBondContact O-CB 3.34Å; S76-M80 PolarHBondContact O-N 3.21Å |
| 77 | N | 77.7 | Confident | 79 | Confident | 114 Ų | 114 | 90.9 Ų | 90.9 | 61% | 0.61 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -70.7 | -38.9 | 174.6 | -166.7 | 33.3 | 0 | 0 | 0 | 112.3 | F73 N74 L75 I79 M80 | F73-N77 PolarHBondContact O-N 3.44Å; N74-N77 PolarHBondContact O-N 3.24Å; L75-N77 VanDerWaalsContact C-N 3.25Å; L75-N77 PolarHBondContact O-N 2.95Å; N77-I79 VanDerWaalsContact C-N 3.27Å; N77-I79 PolarHBondContact O-N 3.22Å; N77-M80 PolarHBondContact O-N 3.26Å |
| 78 | A | 78.5 | Confident | 79.5 | Confident | 71 Ų | 71 | 89.9 Ų | 89.9 | 59% | 0.587 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.4 | -31.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | N74 L75 | N74-A78 PolarHBondContact O-N 3.25Å; L75-A78 WeakPolarHBondContact O-CB 3.11Å; L75-A78 PolarHBondContact O-N 2.78Å; L75-A78 VanDerWaalsContact O-N 3.12Å |
| 79 | I | 78.1 | Confident | 80.2 | Confident | 86 Ų | 86 | 89.3 Ų | 89.3 | 44% | 0.441 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -85.7 | -37 | 178.5 | -65.4 | 173.3 | 0 | 0 | 0 | 112 | L75 S76 N77 G81 | L75-I79 HydrophobicContact CD1-CD1 3.8Å; L75-I79 HydrophobicContact CD1-CG1 4.02Å; L75-I79 HydrophobicContact CD2-CD1 4.31Å; L75-I79 HydrophobicContact CG-CD1 3.72Å; L75-I79 HydrophobicContact CG-CG1 4.31Å; L75-I79 WeakPolarHBondContact O-CG1 3.32Å; L75-I79 PolarHBondContact O-N 2.96Å; S76-I79 PolarHBondContact O-N 3.12Å; N77-I79 VanDerWaalsContact C-N 3.27Å; N77-I79 PolarHBondContact O-N 3.22Å; I79-G81 PolarHBondContact O-N 2.8Å; I79-G81 VanDerWaalsContact O-N 3.16Å |
| 80 | M | 75.3 | Confident | 80.7 | Confident | 158 Ų | 158 | 90.1 Ų | 90.1 | 78% | 0.778 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.1 | -18.9 | -176.4 | -169.6 | 176.5 | -152.6 | 0 | 0 | 113.6 | S76 N77 | S76-M80 WeakPolarHBondContact O-CB 3.34Å; S76-M80 PolarHBondContact O-N 3.21Å; N77-M80 PolarHBondContact O-N 3.26Å |
| 81 | G | 77.1 | Confident | 81.2 | Confident | 43 Ų | 43 | 88.9 Ų | 88.9 | 44% | 0.443 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -134.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114 | I79 G83 | I79-G81 PolarHBondContact O-N 2.8Å; I79-G81 VanDerWaalsContact O-N 3.16Å; G81-G83 PolarHBondContact O-N 3.46Å |
| 82 | S | 75.8 | Confident | 81.6 | Confident | 105 Ų | 105 | 90 Ų | 90 | 73% | 0.734 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -70.9 | -10.1 | -176.8 | 55.8 | 0 | 0 | 0 | 0 | 114.6 | I84 G86 | S82-I84 PolarHBondContact O-N 3.38Å; S82-G86 PolarHBondContact O-N 2.99Å |
| 83 | G | 81.9 | Confident | 81.9 | Confident | 36 Ų | 36 | 91.6 Ų | 91.6 | 37% | 0.371 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.1 | -47.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | G81 G86 L87 | G81-G83 PolarHBondContact O-N 3.46Å; G83-G86 PolarHBondContact O-N 2.93Å; G83-L87 WeakPolarHBondContact O-CB 3.47Å; G83-L87 PolarHBondContact O-N 3.41Å |
| 84 | I | 82.2 | Confident | 82 | Confident | 94 Ų | 94 | 89.3 Ų | 89.3 | 48% | 0.482 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68 | -41.3 | -177.9 | -172.1 | 64.9 | 0 | 0 | 0 | 112.6 | S82 A88 | S82-I84 PolarHBondContact O-N 3.38Å; I84-A88 WeakPolarHBondContact O-CB 3.46Å; I84-A88 PolarHBondContact O-N 3.49Å |
| 85 | L | 82.4 | Confident | 82.2 | Confident | 132 Ų | 132 | 87.6 Ų | 87.6 | 69% | 0.691 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -69.3 | -41.5 | 176.3 | -91.9 | 63.7 | 0 | 0 | 0 | 111.7 | A88 Y89 | L85-A88 PolarHBondContact O-N 3.5Å; L85-Y89 PolarHBondContact O-N 3.21Å |
| 86 | G | 83.6 | Confident | 81.5 | Confident | 40 Ų | 40 | 91.8 Ų | 91.8 | 41% | 0.412 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.7 | -37.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S82 G83 Y89 A90 | S82-G86 PolarHBondContact O-N 2.99Å; G83-G86 PolarHBondContact O-N 2.93Å; G86-Y89 PolarHBondContact O-N 3.16Å; G86-A90 PolarHBondContact O-N 3.4Å |
| 87 | L | 84.3 | Confident | 81.5 | Confident | 98 Ų | 98 | 93.4 Ų | 93.4 | 51% | 0.513 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68 | -43.3 | 174.2 | -174 | 63.2 | 0 | 0 | 0 | 111.5 | G83 Y89 A90 M91 | G83-L87 WeakPolarHBondContact O-CB 3.47Å; G83-L87 PolarHBondContact O-N 3.41Å; L87-Y89 VanDerWaalsContact C-N 3.27Å; L87-Y89 PolarHBondContact O-N 2.89Å; L87-A90 PolarHBondContact O-N 3.1Å; L87-A90 VanDerWaalsContact O-N 3.15Å; L87-M91 HydrophobicContact CG-CE 4.28Å; L87-M91 WeakPolarHBondContact O-CG 3.43Å; L87-M91 PolarHBondContact O-N 3.15Å |
| 88 | A | 84.6 | Confident | 81.7 | Confident | 49 Ų | 49 | 92.3 Ų | 92.3 | 41% | 0.405 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -58.9 | -40.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I84 L85 M91 A92 | I84-A88 WeakPolarHBondContact O-CB 3.46Å; I84-A88 PolarHBondContact O-N 3.49Å; L85-A88 PolarHBondContact O-N 3.5Å; A88-M91 PolarHBondContact O-N 3.05Å; A88-A92 VanDerWaalsContact O-CB 3.29Å; A88-A92 WeakPolarHBondContact O-CB 3.34Å; A88-A92 PolarHBondContact O-N 3.43Å |
| 89 | Y | 90 | Very high | 81.9 | Confident | 168 Ų | 168 | 93.4 Ų | 93.4 | 66% | 0.659 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62.8 | -44.2 | 173.9 | -179.9 | -99.3 | 0 | 0 | 0 | 112.1 | L85 G86 L87 A92 N93 | L85-Y89 PolarHBondContact O-N 3.21Å; G86-Y89 PolarHBondContact O-N 3.16Å; L87-Y89 VanDerWaalsContact C-N 3.27Å; L87-Y89 PolarHBondContact O-N 2.89Å; Y89-A92 PolarHBondContact O-N 3.47Å; Y89-N93 WeakPolarHBondContact CD1-ND2 3.2Å; Y89-N93 WeakPolarHBondContact CD2-ND2 3.29Å; Y89-N93 VanDerWaalsContact CE1-ND2 3.27Å; Y89-N93 WeakPolarHBondContact CE1-ND2 3.27Å; Y89-N93 WeakPolarHBondContact CE2-ND2 3.23Å; Y89-N93 PolarHBondContact O-N 2.99Å; Y89-N93 VanDerWaalsContact O-N 3.1Å; Y89-N93 PolarHBondContact O-ND2 3.03Å |
| 90 | A | 88.3 | Confident | 82.1 | Confident | 46 Ų | 46 | 93.9 Ų | 93.9 | 38% | 0.38 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.6 | -40.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G86 L87 N93 T94 | G86-A90 PolarHBondContact O-N 3.4Å; L87-A90 PolarHBondContact O-N 3.1Å; L87-A90 VanDerWaalsContact O-N 3.15Å; A90-N93 PolarHBondContact O-N 2.88Å; A90-T94 WeakPolarHBondContact O-CB 3.45Å; A90-T94 WeakPolarHBondContact O-CG2 3.49Å; A90-T94 PolarHBondContact O-N 3.22Å; A90-T94 PolarHBondContact O-OG1 3.37Å |
| 91 | M | 88.9 | Confident | 82.6 | Confident | 84 Ų | 84 | 89.9 Ų | 89.9 | 41% | 0.414 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.1 | -44.9 | 176.9 | -67.3 | -170.5 | -58.7 | 0 | 0 | 111.7 | L87 A88 N93 T94 G95 | L87-M91 HydrophobicContact CG-CE 4.28Å; L87-M91 WeakPolarHBondContact O-CG 3.43Å; L87-M91 PolarHBondContact O-N 3.15Å; A88-M91 PolarHBondContact O-N 3.05Å; M91-N93 PolarHBondContact O-N 2.76Å; M91-T94 WeakPolarHBondContact CA-OG1 3.43Å; M91-T94 PolarHBondContact O-N 3.49Å; M91-T94 VanDerWaalsContact O-N 3.12Å; M91-T94 PolarHBondContact O-OG1 2.94Å; M91-G95 PolarHBondContact O-N 3.43Å |
| 92 | A | 85.6 | Confident | 82.9 | Confident | 81 Ų | 81 | 93 Ų | 93 | 67% | 0.669 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -59.2 | -33.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | A88 Y89 | A88-A92 VanDerWaalsContact O-CB 3.29Å; A88-A92 WeakPolarHBondContact O-CB 3.34Å; A88-A92 PolarHBondContact O-N 3.43Å; Y89-A92 PolarHBondContact O-N 3.47Å |
| 93 | N | 85.3 | Confident | 83.4 | Confident | 105 Ų | 105 | 92.1 Ų | 92.1 | 56% | 0.561 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -85.4 | -19.6 | 177.9 | -74.1 | -65.6 | 0 | 0 | 0 | 114.2 | Y89 A90 M91 | Y89-N93 WeakPolarHBondContact CD1-ND2 3.2Å; Y89-N93 WeakPolarHBondContact CD2-ND2 3.29Å; Y89-N93 VanDerWaalsContact CE1-ND2 3.27Å; Y89-N93 WeakPolarHBondContact CE1-ND2 3.27Å; Y89-N93 WeakPolarHBondContact CE2-ND2 3.23Å; Y89-N93 PolarHBondContact O-N 2.99Å; Y89-N93 VanDerWaalsContact O-N 3.1Å; Y89-N93 PolarHBondContact O-ND2 3.03Å; A90-N93 PolarHBondContact O-N 2.88Å; M91-N93 PolarHBondContact O-N 2.76Å |
| 94 | T | 85.4 | Confident | 83.6 | Confident | 102 Ų | 102 | 96.5 Ų | 96.5 | 63% | 0.626 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -96 | -13 | 178.4 | 51.3 | 0 | 0 | 0 | 0 | 113.1 | A90 M91 | A90-T94 WeakPolarHBondContact O-CB 3.45Å; A90-T94 WeakPolarHBondContact O-CG2 3.49Å; A90-T94 PolarHBondContact O-N 3.22Å; A90-T94 PolarHBondContact O-OG1 3.37Å; M91-T94 WeakPolarHBondContact CA-OG1 3.43Å; M91-T94 PolarHBondContact O-N 3.49Å; M91-T94 VanDerWaalsContact O-N 3.12Å; M91-T94 PolarHBondContact O-OG1 2.94Å |
| 95 | G | 76.8 | Confident | 83.7 | Confident | 67 Ų | 67 | 96.7 Ų | 96.7 | 69% | 0.691 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 79.4 | 25 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | M91 | M91-G95 PolarHBondContact O-N 3.43Š|
| 96 | I | 69 | Low | 83.8 | Confident | 188 Ų | 188 | 93.5 Ų | 93.5 | 96% | 0.964 | 57% | 0.572 | S | S | * | * | | | trans | -89.7 | 0 | 172.2 | -61 | -62.5 | 0 | 0 | 0 | 110.5 | | |