| 1 | M | 52.9 | Low | 57 | Low | 223 Ų | 223 | 144.5 Ų | 144.5 | 100% | 1.099 | 79% | 0.791 | S | S | * | * | | | | 0 | 106.7 | 0 | -168.1 | 162.9 | 87.9 | 0 | 0 | 106.8 | | |
| 2 | C | 60.7 | Low | 56.7 | Low | 72 Ų | 72 | 146 Ų | 146 | 49% | 0.486 | 79% | 0.788 | S | S | . | * | | | trans | -97.8 | 107 | -176.3 | -52.1 | 0 | 0 | 0 | 0 | 108.1 | C18 | C2-C18 HydrophobicContact CB-CB 3.51Å; C2-C18 WeakPolarHBondContact CB-SG 3.28Å; C2-C18 WeakPolarHBondContact SG-CB 3.47Å; C2-C18 CovalentContact SG-SG 2.01Å; C2-C18 PolarHBondContact SG-SG 3.26Å |
| 3 | T | 58.5 | Low | 56.6 | Low | 125 Ų | 125 | 149.5 Ų | 149.5 | 77% | 0.767 | 79% | 0.792 | S | S | * | * | | | trans | -85.8 | 114.9 | 178.8 | -7.4 | 0 | 0 | 0 | 0 | 108.4 | S5 | T3-S5 PolarHBondContact O-N 3.49Š|
| 4 | A | 60 | Low | 56 | Low | 85 Ų | 85 | 151.1 Ų | 151.1 | 70% | 0.702 | 79% | 0.789 | S | S | * | * | | | trans | -67.4 | 120.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | N6 | A4-N6 PolarHBondContact O-N 2.8Š|
| 5 | S | 61.9 | Low | 56.2 | Low | 114 Ų | 114 | 150.1 Ų | 150.1 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | | | trans | -77.1 | 101.5 | 173.4 | -176.8 | 0 | 0 | 0 | 0 | 108.8 | T3 D7 | T3-S5 PolarHBondContact O-N 3.49Å; S5-D7 PolarHBondContact O-N 3.17Å |
| 6 | N | 55.3 | Low | 56.2 | Low | 136 Ų | 136 | 148.9 Ų | 148.9 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | trans | -88.1 | 81.2 | 166.8 | -78.5 | -27.9 | 0 | 0 | 0 | 108.2 | A4 | A4-N6 PolarHBondContact O-N 2.8Š|
| 7 | D | 58.8 | Low | 56.3 | Low | 137 Ų | 137 | 144.4 Ų | 144.4 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | | | trans | -83.6 | 136.3 | 161.3 | -156.4 | -8.3 | 0 | 0 | 0 | 108.5 | S5 | S5-D7 PolarHBondContact O-N 3.17Š|
| 8 | K | 55.8 | Low | 56.8 | Low | 199 Ų | 199 | 140.3 Ų | 140.3 | 87% | 0.865 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -100.5 | 16.6 | -159.2 | -142.2 | 176.7 | -175.9 | 177.6 | 0 | 113.4 | | |
| 9 | D | 55.8 | Low | 56.9 | Low | 145 Ų | 145 | 142.5 Ų | 142.5 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -136.4 | 138.2 | 174.2 | -86.2 | -42.9 | 0 | 0 | 0 | 108.9 | | |
| 10 | N | 52.7 | Low | 56.9 | Low | 151 Ų | 151 | 141.1 Ų | 141.1 | 81% | 0.807 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 88.2 | 127.3 | 179.6 | -113.1 | 39 | 0 | 0 | 0 | 118.4 | E12 | N10-E12 VanDerWaalsContact C-N 3.26Å; N10-E12 PolarHBondContact O-N 3.23Å |
| 11 | H | 54.3 | Low | 56.8 | Low | 203 Ų | 203 | 142.8 Ų | 142.8 | 94% | 0.94 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -72.6 | 46.8 | -170.3 | -72.5 | -73.8 | 0 | 0 | 0 | 115.8 | | |
| 12 | E | 53.8 | Low | 56.4 | Low | 162 Ų | 162 | 138.4 Ų | 138.4 | 76% | 0.757 | 76% | 0.756 | S | S | * | * | | | trans | -144.3 | 95.8 | -179.5 | -157.3 | 172.3 | -179.9 | 0 | 0 | 111.4 | N10 K14 | N10-E12 VanDerWaalsContact C-N 3.26Å; N10-E12 PolarHBondContact O-N 3.23Å; E12-K14 VanDerWaalsContact C-N 3.29Å; E12-K14 PolarHBondContact O-N 3.09Å |
| 13 | F | 55.3 | Low | 56 | Low | 192 Ų | 192 | 141.4 Ų | 141.4 | 84% | 0.842 | 77% | 0.771 | S | S | * | * | | | trans | -67.1 | 89.8 | 169.6 | -88.7 | -85.8 | 0 | 0 | 0 | 109 | V15 | F13-V15 PolarHBondContact O-N 3.37Š|
| 14 | K | 48.3 | Very low | 55.1 | Low | 172 Ų | 172 | 140.8 Ų | 140.8 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | | | trans | -77.4 | 102.2 | 171.5 | -168.8 | 173.1 | 179.4 | 179 | 0 | 109 | E12 N16 | E12-K14 VanDerWaalsContact C-N 3.29Å; E12-K14 PolarHBondContact O-N 3.09Å; K14-N16 PolarHBondContact O-N 2.95Å |
| 15 | V | 58.4 | Low | 54.3 | Low | 136 Ų | 136 | 143.8 Ų | 143.8 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | | | trans | -72.1 | 94.3 | 175.2 | -162.3 | 0 | 0 | 0 | 0 | 107.9 | F13 G17 | F13-V15 PolarHBondContact O-N 3.37Å; V15-G17 PolarHBondContact O-N 2.75Å; V15-G17 VanDerWaalsContact O-N 3.11Å |
| 16 | N | 56.2 | Low | 52.9 | Low | 130 Ų | 130 | 144 Ų | 144 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | | | trans | -64.1 | 114.4 | 173.2 | -92.8 | 23.5 | 0 | 0 | 0 | 108.9 | K14 C18 | K14-N16 PolarHBondContact O-N 2.95Å; N16-C18 VanDerWaalsContact C-N 3.31Å; N16-C18 PolarHBondContact O-N 2.75Å |
| 17 | G | 57.8 | Low | 52.1 | Low | 73 Ų | 73 | 144.5 Ų | 144.5 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | | | trans | -65 | 81.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V15 Q19 | V15-G17 PolarHBondContact O-N 2.75Å; V15-G17 VanDerWaalsContact O-N 3.11Å; G17-Q19 PolarHBondContact O-N 3.47Å; G17-Q19 VanDerWaalsContact O-N 3.11Å |
| 18 | C | 66 | Low | 51.2 | Low | 71 Ų | 71 | 143.2 Ų | 143.2 | 48% | 0.48 | 77% | 0.772 | S | S | . | * | | | trans | -76.3 | 97.7 | 174.2 | -156.2 | 0 | 0 | 0 | 0 | 109.3 | C2 N16 V20 | C2-C18 HydrophobicContact CB-CB 3.51Å; C2-C18 WeakPolarHBondContact CB-SG 3.28Å; C2-C18 WeakPolarHBondContact SG-CB 3.47Å; C2-C18 CovalentContact SG-SG 2.01Å; C2-C18 PolarHBondContact SG-SG 3.26Å; N16-C18 VanDerWaalsContact C-N 3.31Å; N16-C18 PolarHBondContact O-N 2.75Å; C18-V20 PolarHBondContact O-N 3.15Å |
| 19 | Q | 58.5 | Low | 50 | Low | 182 Ų | 182 | 143.1 Ų | 143.1 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | | | trans | -74.1 | 121.3 | 168.9 | -66.7 | -167.5 | 39.6 | 0 | 0 | 108.5 | G17 E21 | G17-Q19 PolarHBondContact O-N 3.47Å; G17-Q19 VanDerWaalsContact O-N 3.11Å; Q19-E21 PolarHBondContact O-N 3Å |
| 20 | V | 57.7 | Low | 49.4 | Very low | 114 Ų | 114 | 140.2 Ų | 140.2 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | | | trans | -81.4 | 111.1 | 170.2 | 175.9 | 0 | 0 | 0 | 0 | 106.9 | C18 T22 | C18-V20 PolarHBondContact O-N 3.15Å; V20-T22 PolarHBondContact O-N 2.77Å; V20-T22 VanDerWaalsContact O-N 3.11Å |
| 21 | E | 53.8 | Low | 48.6 | Very low | 177 Ų | 177 | 142.1 Ų | 142.1 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | | | trans | -64.3 | 108.4 | 167.4 | -69.7 | -177.8 | 165.6 | 0 | 0 | 108.6 | Q19 V23 | Q19-E21 PolarHBondContact O-N 3Å; E21-V23 PolarHBondContact O-N 3.06Å |
| 22 | T | 46 | Very low | 47.8 | Very low | 130 Ų | 130 | 135.7 Ų | 135.7 | 80% | 0.798 | 76% | 0.756 | S | S | * | * | | | trans | -68.1 | 103.3 | 170.9 | -52.1 | 0 | 0 | 0 | 0 | 108.3 | V20 S24 | V20-T22 PolarHBondContact O-N 2.77Å; V20-T22 VanDerWaalsContact O-N 3.11Å; T22-S24 PolarHBondContact O-N 3.28Å |
| 23 | V | 51.8 | Low | 47 | Very low | 135 Ų | 135 | 135 Ų | 135 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | | | trans | -60 | 106.6 | 168.4 | -80.4 | 0 | 0 | 0 | 0 | 109.3 | E21 N25 | E21-V23 PolarHBondContact O-N 3.06Å; V23-N25 PolarHBondContact O-N 3.49Å; V23-N25 VanDerWaalsContact O-N 3.07Å |
| 24 | S | 39.1 | Very low | 46 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | | | trans | -68 | 101.7 | 176.1 | 64.8 | 0 | 0 | 0 | 0 | 109.8 | T22 | T22-S24 PolarHBondContact O-N 3.28Š|
| 25 | N | 43 | Very low | 45.7 | Very low | 148 Ų | 148 | 132.4 Ų | 132.4 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | | | trans | -107.3 | 94.6 | 165.2 | 176.8 | 4.2 | 0 | 0 | 0 | 108.8 | V23 | V23-N25 PolarHBondContact O-N 3.49Å; V23-N25 VanDerWaalsContact O-N 3.07Å |
| 26 | V | 33.5 | Very low | 44.5 | Very low | 120 Ų | 120 | 132.8 Ų | 132.8 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | | | trans | -13 | 126.9 | 152.3 | -162.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 27 | N | 37.3 | Very low | 43.4 | Very low | 146 Ų | 146 | 135.8 Ų | 135.8 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | | | | 158 | 144 | 121.7 | -168.8 | 23.9 | 0 | 0 | 0 | 112.3 | | |
| 28 | V | 39.5 | Very low | 42.3 | Very low | 110 Ų | 110 | 142.1 Ų | 142.1 | 67% | 0.667 | 77% | 0.768 | S | S | * | * | | | trans | 86.4 | 76.8 | 163.4 | -152.9 | 0 | 0 | 0 | 0 | 118.9 | | |
| 29 | K | 32 | Very low | 40.9 | Very low | 196 Ų | 196 | 146.6 Ų | 146.6 | 85% | 0.852 | 78% | 0.782 | S | S | * | * | | | | 35.8 | 107.9 | 111.1 | -167.7 | 178.7 | -173.4 | -175.9 | 0 | 117.7 | | |
| 30 | S | 42.3 | Very low | 39.9 | Very low | 84 Ų | 84 | 143.7 Ų | 143.7 | 59% | 0.587 | 77% | 0.77 | S | S | * | * | | | | 160.6 | 124.1 | 106.1 | -148.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 31 | E | 37.2 | Very low | 38.8 | Very low | 191 Ų | 191 | 143.9 Ų | 143.9 | 89% | 0.893 | 77% | 0.772 | S | S | * | * | | | trans | 46.5 | 121.2 | 140.8 | -61.8 | 169.9 | 159.5 | 0 | 0 | 119.1 | | |
| 32 | G | 37.5 | Very low | 37.8 | Very low | 69 Ų | 69 | 142 Ų | 142 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | | | cis | 171.7 | -176 | 12.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 33 | T | 35.2 | Very low | 37.4 | Very low | 148 Ų | 148 | 139 Ų | 139 | 91% | 0.908 | 77% | 0.767 | S | S | * | * | | | trans | 92.4 | 94.8 | 171.1 | -44.7 | 0 | 0 | 0 | 0 | 116.8 | | |
| 34 | Q | 35.8 | Very low | 36.5 | Very low | 168 Ų | 168 | 140.5 Ų | 140.5 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | | | trans | -59.9 | 148.5 | 162.2 | -61.3 | 169.7 | 28.2 | 0 | 0 | 111.2 | | |
| 35 | I | 40.8 | Very low | 36.8 | Very low | 140 Ų | 140 | 142.5 Ų | 142.5 | 72% | 0.718 | 77% | 0.77 | S | S | * | * | | | | 170.4 | 130.9 | 99 | 53.9 | -168.3 | 0 | 0 | 0 | 112.5 | | |
| 36 | N | 33.9 | Very low | 36.9 | Very low | 145 Ų | 145 | 143.8 Ų | 143.8 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | | | trans | 79 | 70.8 | 154.4 | -53.9 | -29.3 | 0 | 0 | 0 | 119.8 | R38 | N36-R38 PolarHBondContact O-N 3.05Š|
| 37 | Q | 32.2 | Very low | 37.6 | Very low | 192 Ų | 192 | 143 Ų | 143 | 90% | 0.897 | 77% | 0.769 | S | S | * | * | | | trans | -73.5 | 99.7 | 147.3 | -172.1 | 173.1 | 8.9 | 0 | 0 | 108.2 | E39 | Q37-E39 PolarHBondContact O-N 3.31Š|
| 38 | R | 36.2 | Very low | 37.8 | Very low | 207 Ų | 207 | 141.8 Ų | 141.8 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | | | trans | -83.3 | 98.3 | 172.4 | -169.4 | -177.8 | -171.6 | 177.7 | -0.9 | 108.4 | N36 I40 | N36-R38 PolarHBondContact O-N 3.05Å; R38-I40 HydrophobicContact CG-CD1 4.26Å; R38-I40 HydrophobicContact CG-CG1 3.81Å; R38-I40 PolarHBondContact O-N 3.5Å |
| 39 | E | 35.3 | Very low | 38.2 | Very low | 165 Ų | 165 | 142.6 Ų | 142.6 | 77% | 0.771 | 76% | 0.762 | S | S | * | * | | | trans | -58.8 | 117.8 | 156 | -83.3 | 178.1 | 122.2 | 0 | 0 | 108.6 | Q37 | Q37-E39 PolarHBondContact O-N 3.31Š|
| 40 | I | 37.9 | Very low | 38.7 | Very low | 120 Ų | 120 | 138.3 Ų | 138.3 | 62% | 0.615 | 75% | 0.752 | S | S | * | * | | | trans | -121.9 | 78.3 | 156 | -51.5 | -176.5 | 0 | 0 | 0 | 106.5 | R38 | R38-I40 HydrophobicContact CG-CD1 4.26Å; R38-I40 HydrophobicContact CG-CG1 3.81Å; R38-I40 PolarHBondContact O-N 3.5Å |
| 41 | T | 33.9 | Very low | 39 | Very low | 119 Ų | 119 | 140 Ų | 140 | 73% | 0.73 | 76% | 0.755 | S | S | * | * | | | trans | -79.5 | 110 | 151.5 | -62 | 0 | 0 | 0 | 0 | 105.7 | | |
| 42 | T | 34.4 | Very low | 39.6 | Very low | 137 Ų | 137 | 137 Ų | 137 | 84% | 0.84 | 74% | 0.74 | S | S | * | * | | | trans | 171.4 | 123.2 | 152.7 | -67.1 | 0 | 0 | 0 | 0 | 108.3 | | |
| 43 | G | 36.4 | Very low | 39.7 | Very low | 66 Ų | 66 | 139.7 Ų | 139.7 | 68% | 0.68 | 74% | 0.738 | S | S | * | * | | | trans | 126.7 | 56.3 | 162.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | I45 | G43-I45 PolarHBondContact O-N 3.2Š|
| 44 | I | 33.4 | Very low | 40.2 | Very low | 167 Ų | 167 | 137.7 Ų | 137.7 | 86% | 0.856 | 73% | 0.726 | S | S | * | * | | | trans | -70.1 | 104 | 155.8 | -56.4 | 170.7 | 0 | 0 | 0 | 105.6 | | |
| 45 | I | 45.9 | Very low | 40.7 | Very low | 155 Ų | 155 | 137.7 Ų | 137.7 | 80% | 0.795 | 72% | 0.723 | S | S | * | * | | | trans | -112.7 | 102.3 | 159 | -62.1 | -172.5 | 0 | 0 | 0 | 105.5 | G43 P47 | G43-I45 PolarHBondContact O-N 3.2Å; I45-P47 WeakPolarHBondContact O-CD 3.11Å |
| 46 | E | 44.7 | Very low | 41.1 | Very low | 174 Ų | 174 | 136.2 Ų | 136.2 | 81% | 0.813 | 72% | 0.715 | S | S | * | * | | | trans | -60.3 | 125.7 | 160.4 | -92 | -176.9 | 127.8 | 0 | 0 | 109 | | |
| 47 | P | 48.1 | Very low | 41.6 | Very low | 105 Ų | 105 | 134.8 Ų | 134.8 | 68% | 0.682 | 71% | 0.712 | S | S | * | * | | | trans | -80.3 | 115.1 | 154.9 | 30.3 | -26.3 | 0 | 0 | 0 | 108.3 | I45 L49 | I45-P47 WeakPolarHBondContact O-CD 3.11Å; P47-L49 HydrophobicContact CB-CD1 4.22Å; P47-L49 HydrophobicContact CG-CD1 4.49Å; P47-L49 PolarHBondContact O-N 3.26Å |
| 48 | D | 40.7 | Very low | 42.3 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 64% | 0.636 | 71% | 0.709 | S | S | * | * | | | trans | -60.3 | 90.7 | 171 | -169.6 | 7.3 | 0 | 0 | 0 | 110.1 | T50 | D48-T50 VanDerWaalsContact OD1-CB 3.28Å; D48-T50 WeakPolarHBondContact OD1-CB 3.4Å; D48-T50 PolarHBondContact OD1-OG1 2.89Å |
| 49 | L | 47.4 | Very low | 42.8 | Very low | 127 Ų | 127 | 128.7 Ų | 128.7 | 67% | 0.665 | 70% | 0.703 | S | S | * | * | | | trans | -90.9 | 19.3 | 176 | -114.8 | 83 | 0 | 0 | 0 | 112.4 | P47 N51 | P47-L49 HydrophobicContact CB-CD1 4.22Å; P47-L49 HydrophobicContact CG-CD1 4.49Å; P47-L49 PolarHBondContact O-N 3.26Å; L49-N51 VanDerWaalsContact C-N 3.32Å; L49-N51 PolarHBondContact O-N 2.87Å |
| 50 | T | 42.4 | Very low | 43.2 | Very low | 106 Ų | 106 | 125.4 Ų | 125.4 | 65% | 0.65 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -8.5 | -171 | -35.9 | 0 | 0 | 0 | 0 | 113.2 | D48 | D48-T50 VanDerWaalsContact OD1-CB 3.28Å; D48-T50 WeakPolarHBondContact OD1-CB 3.4Å; D48-T50 PolarHBondContact OD1-OG1 2.89Å |
| 51 | N | 50.4 | Low | 43.4 | Very low | 121 Ų | 121 | 128.6 Ų | 128.6 | 65% | 0.647 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | -22.2 | -179 | 57.9 | 10.3 | 0 | 0 | 0 | 115 | L49 | L49-N51 VanDerWaalsContact C-N 3.32Å; L49-N51 PolarHBondContact O-N 2.87Å |
| 52 | E | 48.5 | Very low | 43.8 | Very low | 126 Ų | 126 | 128.2 Ų | 128.2 | 59% | 0.589 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -35.8 | 178.1 | -96.4 | -104.4 | 120.1 | 0 | 0 | 112.7 | T54 K55 | E52-T54 VanDerWaalsContact C-N 3.26Å; E52-T54 PolarHBondContact O-N 3.43Å; E52-K55 PolarHBondContact O-N 2.7Å |
| 53 | L | 41.2 | Very low | 44.1 | Very low | 127 Ų | 127 | 129 Ų | 129 | 67% | 0.665 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -70.8 | -22.4 | -171.9 | -156.9 | 65.1 | 0 | 0 | 0 | 113.3 | K55 T57 | L53-K55 VanDerWaalsContact C-N 3.32Å; L53-K55 PolarHBondContact O-N 2.91Å; L53-T57 PolarHBondContact O-OG1 3.34Å |
| 54 | T | 45.7 | Very low | 44.3 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 65% | 0.65 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -75.2 | -22.1 | 177.8 | -48.3 | 0 | 0 | 0 | 0 | 112.4 | E52 | E52-T54 VanDerWaalsContact C-N 3.26Å; E52-T54 PolarHBondContact O-N 3.43Å |
| 55 | K | 45.6 | Very low | 44.3 | Very low | 168 Ų | 168 | 131.1 Ų | 131.1 | 73% | 0.73 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -87.3 | -21.4 | -176.6 | -155.1 | 178.9 | -178.2 | -173 | 0 | 113.7 | E52 L53 | E52-K55 PolarHBondContact O-N 2.7Å; L53-K55 VanDerWaalsContact C-N 3.32Å; L53-K55 PolarHBondContact O-N 2.91Å |
| 56 | I | 48.6 | Very low | 44 | Very low | 108 Ų | 108 | 129.3 Ų | 129.3 | 55% | 0.554 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -81.7 | -20.3 | -175.3 | -60.2 | 173.4 | 0 | 0 | 0 | 111.5 | | |
| 57 | T | 44.1 | Very low | 43.6 | Very low | 116 Ų | 116 | 125.6 Ų | 125.6 | 71% | 0.712 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -14.9 | -172.8 | -34.3 | 0 | 0 | 0 | 0 | 114.2 | L53 | L53-T57 PolarHBondContact O-OG1 3.34Š|
| 58 | E | 47.9 | Very low | 43.6 | Very low | 178 Ų | 178 | 128.9 Ų | 128.9 | 83% | 0.832 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -11.4 | 179.2 | -77 | -174.5 | 152.3 | 0 | 0 | 114.5 | T60 | E58-T60 PolarHBondContact O-N 3.01Š|
| 59 | S | 45.9 | Very low | 43.6 | Very low | 92 Ų | 92 | 128.7 Ų | 128.7 | 64% | 0.643 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | 5.1 | -168.4 | -172.3 | 0 | 0 | 0 | 0 | 116.1 | | |
| 60 | T | 43.1 | Very low | 43.4 | Very low | 96 Ų | 96 | 129.9 Ų | 129.9 | 59% | 0.589 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.8 | 5.1 | -167.2 | -47.7 | 0 | 0 | 0 | 0 | 115.6 | E58 H63 | E58-T60 PolarHBondContact O-N 3.01Å; T60-H63 PolarHBondContact O-CE1 2.63Å; T60-H63 PolarHBondContact O-ND1 3.35Å |
| 61 | E | 42.4 | Very low | 43.3 | Very low | 187 Ų | 187 | 129.2 Ų | 129.2 | 87% | 0.874 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -92.7 | 4.4 | -178.3 | -69.9 | -166.9 | 151 | 0 | 0 | 116.2 | | |
| 62 | S | 43.8 | Very low | 42.8 | Very low | 111 Ų | 111 | 128 Ų | 128 | 78% | 0.776 | 73% | 0.729 | S | S | * | * | | | trans | -98.5 | 17.1 | -168.1 | 62 | 0 | 0 | 0 | 0 | 117.5 | | |
| 63 | H | 39 | Very low | 42.9 | Very low | 154 Ų | 154 | 129.3 Ų | 129.3 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | | | trans | -110.9 | 27.1 | -176.4 | 56.4 | -88.5 | 0 | 0 | 0 | 115.7 | T60 | T60-H63 PolarHBondContact O-CE1 2.63Å; T60-H63 PolarHBondContact O-ND1 3.35Å |
| 64 | L | 41 | Very low | 42.8 | Very low | 158 Ų | 158 | 131.8 Ų | 131.8 | 83% | 0.827 | 75% | 0.747 | S | S | * | * | | | trans | -61.3 | 146 | 167.3 | -77.2 | 169.6 | 0 | 0 | 0 | 112 | | |
| 65 | S | 33.3 | Very low | 42.6 | Very low | 120 Ų | 120 | 131.8 Ų | 131.8 | 84% | 0.839 | 75% | 0.749 | S | S | * | * | | | trans | 75.4 | 86.5 | 160 | -73.9 | 0 | 0 | 0 | 0 | 117.6 | | |
| 66 | S | 39.6 | Very low | 42.2 | Very low | 117 Ų | 117 | 130 Ų | 130 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | | | trans | -148.3 | 110.9 | 140 | -161.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 67 | S | 37.5 | Very low | 41.4 | Very low | 95 Ų | 95 | 131.7 Ų | 131.7 | 66% | 0.664 | 76% | 0.761 | S | S | * | * | | | trans | 56 | 105 | 133.4 | -178.1 | 0 | 0 | 0 | 0 | 119.4 | | |
| 68 | I | 46.9 | Very low | 41.2 | Very low | 174 Ų | 174 | 132.3 Ų | 132.3 | 89% | 0.892 | 77% | 0.765 | S | S | * | * | | | trans | -143.9 | 120.2 | 131.5 | -41.9 | 175.3 | 0 | 0 | 0 | 109.5 | | |
| 69 | V | 41.5 | Very low | 40.6 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 70% | 0.697 | 76% | 0.76 | S | S | * | * | | | trans | -89.2 | 143.4 | 176.4 | 178.2 | 0 | 0 | 0 | 0 | 108.7 | | |
| 70 | D | 43.8 | Very low | 40.1 | Very low | 152 Ų | 152 | 134.1 Ų | 134.1 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | | | trans | 146.1 | 133.2 | 131.1 | -109.3 | -35.7 | 0 | 0 | 0 | 115.9 | | |
| 71 | A | 39.8 | Very low | 39.7 | Very low | 92 Ų | 92 | 140.2 Ų | 140.2 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | | | trans | 57 | 142.3 | 147.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 72 | S | 39.4 | Very low | 39.8 | Very low | 96 Ų | 96 | 136.8 Ų | 136.8 | 67% | 0.671 | 77% | 0.771 | S | S | * | * | | | cis | 174.5 | 126.4 | 5.8 | 153.5 | 0 | 0 | 0 | 0 | 107.6 | | |
| 73 | I | 50 | Low | 39.6 | Very low | 153 Ų | 153 | 136.3 Ų | 136.3 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | | | trans | 75.6 | 120.1 | 146 | -57 | 174 | 0 | 0 | 0 | 120.8 | | |
| 74 | E | 40 | Very low | 39.6 | Very low | 180 Ų | 180 | 134.6 Ų | 134.6 | 84% | 0.841 | 76% | 0.764 | S | S | * | * | | | trans | -100.8 | 149.3 | 160.8 | -176.4 | -171.8 | 157.7 | 0 | 0 | 110 | | |
| 75 | P | 42 | Very low | 39.3 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 69% | 0.688 | 76% | 0.764 | S | S | * | * | | | trans | -145.4 | 133.1 | 146.5 | 28.5 | -7.1 | 0 | 0 | 0 | 117.4 | | |
| 76 | T | 35.6 | Very low | 39.4 | Very low | 129 Ų | 129 | 130.7 Ų | 130.7 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | | | | 92.7 | 123.7 | 125.3 | -47.7 | 0 | 0 | 0 | 0 | 122.6 | | |
| 77 | L | 33.1 | Very low | 39.3 | Very low | 145 Ų | 145 | 133 Ų | 133 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | | | trans | -71.7 | 148.3 | 175.3 | 169 | 137 | 0 | 0 | 0 | 116.3 | | |
| 78 | T | 39 | Very low | 39.7 | Very low | 128 Ų | 128 | 134.2 Ų | 134.2 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | | | trans | -153.5 | 122.4 | 153.8 | -42.3 | 0 | 0 | 0 | 0 | 114.2 | | |
| 79 | N | 36 | Very low | 39.3 | Very low | 136 Ų | 136 | 134.7 Ų | 134.7 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | | | trans | -3.7 | 139.1 | 162.6 | -61.9 | -76.6 | 0 | 0 | 0 | 123 | | |
| 80 | H | 34.5 | Very low | 39.6 | Very low | 173 Ų | 173 | 134.3 Ų | 134.3 | 80% | 0.801 | 76% | 0.758 | S | S | * | * | | | | -175.1 | 135.1 | 102.5 | -154 | -86.5 | 0 | 0 | 0 | 112.4 | | |
| 81 | R | 35.1 | Very low | 39.3 | Very low | 224 Ų | 224 | 133 Ų | 133 | 85% | 0.845 | 75% | 0.751 | S | S | * | * | | | trans | -133.4 | 122.4 | 178.2 | 169 | -173.3 | 176.3 | 137.9 | 0.2 | 109.2 | | |
| 82 | V | 44.5 | Very low | 39.5 | Very low | 115 Ų | 115 | 136.7 Ų | 136.7 | 70% | 0.697 | 76% | 0.757 | S | S | * | * | | | trans | -157.2 | 104.1 | 157.9 | -167.5 | 0 | 0 | 0 | 0 | 106.7 | | |
| 83 | T | 39.8 | Very low | 39.6 | Very low | 101 Ų | 101 | 137.8 Ų | 137.8 | 62% | 0.62 | 76% | 0.76 | S | S | * | * | | | | 66.9 | 96.9 | 84.8 | -49.6 | 0 | 0 | 0 | 0 | 115.4 | | |
| 84 | T | 38.7 | Very low | 39.4 | Very low | 118 Ų | 118 | 138.8 Ų | 138.8 | 72% | 0.724 | 76% | 0.761 | S | S | * | * | | | | 63 | 133.1 | 126.4 | -37.4 | 0 | 0 | 0 | 0 | 121.9 | | |
| 85 | T | 35.7 | Very low | 39.8 | Very low | 133 Ų | 133 | 138.6 Ų | 138.6 | 82% | 0.816 | 76% | 0.76 | S | S | * | * | | | trans | 92.8 | 106.1 | 143.7 | 2.2 | 0 | 0 | 0 | 0 | 119.1 | | |
| 86 | G | 35.9 | Very low | 39.6 | Very low | 63 Ų | 63 | 142 Ų | 142 | 65% | 0.649 | 77% | 0.771 | S | S | * | * | | | | 101.1 | 126.5 | 125.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 87 | I | 36.6 | Very low | 40 | Very low | 164 Ų | 164 | 141.9 Ų | 141.9 | 84% | 0.841 | 77% | 0.771 | S | S | * | * | | | trans | 94 | 113.4 | 140.1 | -51.3 | 165.3 | 0 | 0 | 0 | 116.3 | | |
| 88 | T | 45.8 | Very low | 40.5 | Very low | 121 Ų | 121 | 143.7 Ų | 143.7 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | | | trans | 81.9 | 111 | 153.1 | -50.6 | 0 | 0 | 0 | 0 | 119.1 | | |
| 89 | E | 38.8 | Very low | 40.7 | Very low | 184 Ų | 184 | 144 Ų | 144 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | | | trans | -75.4 | 134 | 158.1 | -157 | -175.6 | 177.3 | 0 | 0 | 109.3 | | |
| 90 | P | 47.1 | Very low | 41 | Very low | 107 Ų | 107 | 143.5 Ų | 143.5 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | | | trans | -135 | 134.5 | 133.1 | 31.2 | -17 | 0 | 0 | 0 | 112.5 | L92 | P90-L92 PolarHBondContact O-N 3.21Š|
| 91 | D | 38.3 | Very low | 41.5 | Very low | 125 Ų | 125 | 144.8 Ų | 144.8 | 67% | 0.668 | 79% | 0.785 | S | S | * | * | | | trans | -29.7 | 118.1 | 167.6 | -166.6 | 1.6 | 0 | 0 | 0 | 115.4 | T93 | D91-T93 PolarHBondContact OD1-N 3.21Å; D91-T93 PolarHBondContact OD1-OG1 2.99Å |
| 92 | L | 44.4 | Very low | 41.9 | Very low | 170 Ų | 170 | 138.9 Ų | 138.9 | 89% | 0.89 | 77% | 0.774 | S | S | * | * | | | trans | -131.3 | 65.3 | 161.3 | -86.1 | 167.1 | 0 | 0 | 0 | 109 | P90 H94 | P90-L92 PolarHBondContact O-N 3.21Å; L92-H94 PolarHBondContact O-N 3.35Å |
| 93 | T | 40 | Very low | 41.9 | Very low | 119 Ų | 119 | 139.8 Ų | 139.8 | 73% | 0.73 | 78% | 0.781 | S | S | * | * | | | trans | -58.8 | 105.9 | 153.1 | -59.5 | 0 | 0 | 0 | 0 | 108.6 | D91 | D91-T93 PolarHBondContact OD1-N 3.21Å; D91-T93 PolarHBondContact OD1-OG1 2.99Å |
| 94 | H | 46.8 | Very low | 42.1 | Very low | 174 Ų | 174 | 144.2 Ų | 144.2 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | S | Bend | trans | 170.1 | -19.6 | 138.6 | -172.1 | -99.4 | 0 | 0 | 0 | 116.3 | L92 | L92-H94 PolarHBondContact O-N 3.35Š|
| 95 | E | 47.9 | Very low | 42.5 | Very low | 176 Ų | 176 | 144 Ų | 144 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | | | trans | -113.4 | 10.3 | -154.5 | -138.5 | -166.1 | 126.7 | 0 | 0 | 120.2 | | |
| 96 | L | 38 | Very low | 43 | Very low | 177 Ų | 177 | 144.5 Ų | 144.5 | 93% | 0.927 | 79% | 0.787 | S | S | * | * | | | trans | -119.8 | 58 | -178.2 | -134.6 | 79.6 | 0 | 0 | 0 | 114.3 | | |
| 97 | T | 44.9 | Very low | 43.5 | Very low | 127 Ų | 127 | 147.7 Ų | 147.7 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | | | trans | -106.8 | 93.2 | 159.6 | 43.4 | 0 | 0 | 0 | 0 | 109 | | |
| 98 | E | 43.6 | Very low | 44.4 | Very low | 182 Ų | 182 | 144 Ų | 144 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | S | Bend | trans | 158.6 | 141.7 | 147.4 | -92.2 | -178.8 | 145.6 | 0 | 0 | 109.1 | | |
| 99 | T | 41.8 | Very low | 44.8 | Very low | 134 Ų | 134 | 147.8 Ų | 147.8 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | | | trans | 91.9 | 65.7 | 170.9 | -34.3 | 0 | 0 | 0 | 0 | 116.8 | | |
| 100 | T | 43.2 | Very low | 45.6 | Very low | 126 Ų | 126 | 144.2 Ų | 144.2 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | | | trans | -153.1 | 63.4 | 138.4 | -38.9 | 0 | 0 | 0 | 0 | 111 | T102 | T100-T102 WeakPolarHBondContact CG2-OG1 3.48Å; T100-T102 PolarHBondContact O-N 3.25Å; T100-T102 VanDerWaalsContact O-N 3.09Å |
| 101 | Q | 45 | Very low | 46.1 | Very low | 200 Ų | 200 | 149.3 Ų | 149.3 | 94% | 0.935 | 79% | 0.79 | S | S | * | * | | | trans | -81.1 | 72.3 | 160.3 | -168.4 | 178.2 | 24.8 | 0 | 0 | 107.9 | | |
| 102 | T | 43.9 | Very low | 46.8 | Very low | 100 Ų | 100 | 145.4 Ų | 145.4 | 61% | 0.613 | 78% | 0.779 | S | S | * | * | | | trans | -102.8 | 105.8 | 174.5 | -54.9 | 0 | 0 | 0 | 0 | 109.5 | T100 K104 | T100-T102 WeakPolarHBondContact CG2-OG1 3.48Å; T100-T102 PolarHBondContact O-N 3.25Å; T100-T102 VanDerWaalsContact O-N 3.09Å; T102-K104 PolarHBondContact O-N 3.21Å |
| 103 | T | 43.1 | Very low | 47.2 | Very low | 135 Ų | 135 | 143.9 Ų | 143.9 | 83% | 0.828 | 78% | 0.777 | S | S | * | * | | | trans | -29.7 | 90.8 | 161.8 | -47.5 | 0 | 0 | 0 | 0 | 114 | | |
| 104 | K | 45.2 | Very low | 47.9 | Very low | 193 Ų | 193 | 143.4 Ų | 143.4 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | | | trans | -149.4 | 76.7 | 161.3 | -71.6 | -167.6 | -178.6 | 174.5 | 0 | 109.5 | T102 | T102-K104 PolarHBondContact O-N 3.21Š|
| 105 | S | 46.4 | Very low | 48.4 | Very low | 115 Ų | 115 | 143 Ų | 143 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | | | trans | -135.9 | 99.1 | 165.2 | -160.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 106 | H | 47.4 | Very low | 48.9 | Very low | 143 Ų | 143 | 142.4 Ų | 142.4 | 66% | 0.662 | 77% | 0.767 | S | S | * | * | | | | 71.5 | 66.1 | 126 | -139 | -99.9 | 0 | 0 | 0 | 116.9 | N108 | H106-N108 VanDerWaalsContact CE1-CG 3.42Å; H106-N108 PolarHBondContact CE1-ND2 2.91Å; H106-N108 VanDerWaalsContact CE1-ND2 3.26Å; H106-N108 PolarHBondContact CE1-OD1 2.83Å; H106-N108 PolarHBondContact ND1-OD1 3.11Å; H106-N108 PolarHBondContact NE2-ND2 3.33Å; H106-N108 VanDerWaalsContact NE2-ND2 3.15Å; H106-N108 PolarHBondContact NE2-OD1 3.19Å |
| 107 | S | 44.9 | Very low | 49.9 | Very low | 130 Ų | 130 | 141.7 Ų | 141.7 | 91% | 0.909 | 76% | 0.757 | S | S | * | * | | | trans | -100.5 | 68.5 | 154.1 | -169.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 108 | N | 55.6 | Low | 50.6 | Low | 85 Ų | 85 | 143 Ų | 143 | 46% | 0.455 | 75% | 0.754 | S | S | . | * | | | trans | -104.4 | 108.3 | 156.3 | 52 | 1.2 | 0 | 0 | 0 | 106.2 | H106 T110 | H106-N108 VanDerWaalsContact CE1-CG 3.42Å; H106-N108 PolarHBondContact CE1-ND2 2.91Å; H106-N108 VanDerWaalsContact CE1-ND2 3.26Å; H106-N108 PolarHBondContact CE1-OD1 2.83Å; H106-N108 PolarHBondContact ND1-OD1 3.11Å; H106-N108 PolarHBondContact NE2-ND2 3.33Å; H106-N108 VanDerWaalsContact NE2-ND2 3.15Å; H106-N108 PolarHBondContact NE2-OD1 3.19Å; N108-T110 PolarHBondContact O-N 3.34Å; N108-T110 PolarHBondContact O-OG1 3.03Å |
| 109 | K | 54.3 | Low | 51.3 | Low | 202 Ų | 202 | 138.7 Ų | 138.7 | 88% | 0.878 | 73% | 0.734 | S | S | * | * | | | trans | -65.9 | 83 | 175.9 | -178.1 | 169 | 176 | 157.9 | 0 | 108.6 | K111 | K109-K111 PolarHBondContact O-N 3.37Š|
| 110 | T | 56.9 | Low | 52.1 | Low | 108 Ų | 108 | 140.6 Ų | 140.6 | 66% | 0.663 | 73% | 0.726 | S | S | * | * | | | trans | -69.5 | 96.9 | 174.1 | -59.6 | 0 | 0 | 0 | 0 | 108.2 | N108 G112 | N108-T110 PolarHBondContact O-N 3.34Å; N108-T110 PolarHBondContact O-OG1 3.03Å; T110-G112 VanDerWaalsContact C-N 3.29Å; T110-G112 PolarHBondContact O-N 3.3Å |
| 111 | K | 56.4 | Low | 53 | Low | 214 Ų | 214 | 140.3 Ų | 140.3 | 93% | 0.93 | 72% | 0.72 | S | S | * | * | | | trans | -73.8 | 84.6 | 170.2 | -150.9 | -174.8 | -172.6 | -168.8 | 0 | 106.8 | K109 | K109-K111 PolarHBondContact O-N 3.37Š|
| 112 | G | 53.8 | Low | 54.2 | Low | 43 Ų | 43 | 133.6 Ų | 133.6 | 44% | 0.443 | 70% | 0.695 | S | S | . | * | | | trans | -171.9 | 107.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T110 | T110-G112 VanDerWaalsContact C-N 3.29Å; T110-G112 PolarHBondContact O-N 3.3Å |
| 113 | T | 52.6 | Low | 55.8 | Low | 138 Ų | 138 | 134.7 Ų | 134.7 | 85% | 0.847 | 69% | 0.691 | S | S | * | * | S | Bend | trans | 75.2 | 57.4 | 150.2 | -19.7 | 0 | 0 | 0 | 0 | 116.9 | | |
| 114 | T | 54.3 | Low | 57.7 | Low | 109 Ų | 109 | 132 Ų | 132 | 67% | 0.669 | 68% | 0.678 | S | S | * | * | | | trans | -145.6 | 45.1 | 156.9 | -53.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 115 | E | 57.3 | Low | 59.6 | Low | 165 Ų | 165 | 125.6 Ų | 125.6 | 77% | 0.771 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -83.5 | -16.5 | -172.6 | -65.7 | -176.4 | 161.3 | 0 | 0 | 114.6 | | |
| 116 | K | 57.6 | Low | 61.6 | Low | 165 Ų | 165 | 124.8 Ų | 124.8 | 72% | 0.717 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -87.9 | -12.6 | -174.7 | -63.7 | -159.1 | 176.8 | -175.9 | 0 | 116 | R120 | K116-R120 PolarHBondContact O-NH1 3.1Å |
| 117 | K | 59.3 | Low | 63.7 | Low | 162 Ų | 162 | 126.8 Ų | 126.8 | 70% | 0.704 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -92.2 | -28.6 | -179.8 | -161.4 | 173.5 | 179.5 | 179.1 | 0 | 112.2 | N121 | K117-N121 PolarHBondContact O-ND2 3.45Å |
| 118 | E | 60.4 | Low | 65.9 | Low | 154 Ų | 154 | 125.7 Ų | 125.7 | 72% | 0.72 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -80.5 | -34.5 | 178.9 | -159.1 | 167.5 | 178.8 | 0 | 0 | 112.2 | R120 N121 S122 | E118-R120 VanDerWaalsContact C-N 3.3Å; E118-R120 PolarHBondContact O-N 3.28Å; E118-N121 PolarHBondContact O-N 3.46Å; E118-S122 PolarHBondContact O-N 3.23Å |
| 119 | E | 57.5 | Low | 67.7 | Low | 92 Ų | 92 | 124.9 Ų | 124.9 | 43% | 0.43 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -64.7 | -27.9 | -178.1 | -160.4 | -171.2 | 154.3 | 0 | 0 | 114.2 | S122 K123 | E119-S122 PolarHBondContact O-OG 2.93Å; E119-K123 WeakPolarHBondContact O-CG 3.27Å; E119-K123 PolarHBondContact O-N 3.25Å; E119-K123 WeakPolarHBondContact OE1-CE 3.01Å; E119-K123 IonicContact OE1-NZ 2.63Å; E119-K123 PolarHBondContact OE1-NZ 2.01Å |
| 120 | R | 59.6 | Low | 69.6 | Low | 174 Ų | 174 | 120.1 Ų | 120.1 | 66% | 0.657 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -74.1 | -29.5 | 178.8 | -67.5 | -170.8 | 177.8 | 100.2 | -11.2 | 112.7 | K116 E118 S124 | K116-R120 PolarHBondContact O-NH1 3.1Å; E118-R120 VanDerWaalsContact C-N 3.3Å; E118-R120 PolarHBondContact O-N 3.28Å; R120-S124 PolarHBondContact O-OG 3.11Å |
| 121 | N | 62.1 | Low | 71.5 | Confident | 119 Ų | 119 | 118 Ų | 118 | 64% | 0.636 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -77.9 | -35.6 | 178.9 | -63.1 | -37.4 | 0 | 0 | 0 | 111 | K117 E118 S125 | K117-N121 PolarHBondContact O-ND2 3.45Å; E118-N121 PolarHBondContact O-N 3.46Å; N121-S125 PolarHBondContact O-N 3.48Å |
| 122 | S | 70.3 | Confident | 73.4 | Confident | 60 Ų | 60 | 113.3 Ų | 113.3 | 42% | 0.42 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -69.7 | -42.3 | 178.9 | 64 | 0 | 0 | 0 | 0 | 112.8 | E118 E119 S124 S125 L126 | E118-S122 PolarHBondContact O-N 3.23Å; E119-S122 PolarHBondContact O-OG 2.93Å; S122-S124 PolarHBondContact O-N 3.23Å; S122-S125 PolarHBondContact O-N 2.96Å; S122-L126 PolarHBondContact O-N 3.45Å; S122-L126 VanDerWaalsContact O-N 3.1Å |
| 123 | K | 77.2 | Confident | 75.5 | Confident | 123 Ų | 123 | 115 Ų | 115 | 54% | 0.535 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.2 | -40.4 | 179 | -70.3 | -179.3 | -176.3 | 173.1 | 0 | 112.7 | E119 S125 L126 Y127 | E119-K123 WeakPolarHBondContact O-CG 3.27Å; E119-K123 PolarHBondContact O-N 3.25Å; E119-K123 WeakPolarHBondContact OE1-CE 3.01Å; E119-K123 IonicContact OE1-NZ 2.63Å; E119-K123 PolarHBondContact OE1-NZ 2.01Å; K123-S125 VanDerWaalsContact C-N 3.31Å; K123-S125 PolarHBondContact O-N 3.27Å; K123-L126 PolarHBondContact O-N 3.11Å; K123-Y127 PolarHBondContact O-N 2.94Å |
| 124 | S | 82.7 | Confident | 77.6 | Confident | 78 Ų | 78 | 112.5 Ų | 112.5 | 55% | 0.545 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.5 | -38.5 | 177.5 | -55.6 | 0 | 0 | 0 | 0 | 111.8 | R120 S122 | R120-S124 PolarHBondContact O-OG 3.11Å; S122-S124 PolarHBondContact O-N 3.23Å |
| 125 | S | 85.2 | Confident | 79.7 | Confident | 58 Ų | 58 | 111.7 Ų | 111.7 | 41% | 0.406 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.3 | -44.7 | 176.7 | -174.2 | 0 | 0 | 0 | 0 | 112.2 | N121 S122 K123 Y127 I128 I129 | N121-S125 PolarHBondContact O-N 3.48Å; S122-S125 PolarHBondContact O-N 2.96Å; K123-S125 VanDerWaalsContact C-N 3.31Å; K123-S125 PolarHBondContact O-N 3.27Å; S125-Y127 VanDerWaalsContact C-N 3.29Å; S125-Y127 PolarHBondContact O-N 3.1Å; S125-I128 PolarHBondContact O-N 3.32Å; S125-I128 VanDerWaalsContact O-N 3.1Å; S125-I129 VanDerWaalsContact O-CG1 3.28Å; S125-I129 WeakPolarHBondContact O-CG1 2.88Å; S125-I129 PolarHBondContact O-N 3.3Å; S125-I129 VanDerWaalsContact OG-CD1 3.27Å; S125-I129 WeakPolarHBondContact OG-CD1 2.92Å |
| 126 | L | 88.6 | Confident | 81.6 | Confident | 99 Ų | 99 | 110.1 Ų | 110.1 | 52% | 0.518 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -58.4 | -40.5 | 178.1 | -73.4 | 170.6 | 0 | 0 | 0 | 112.3 | S122 K123 I128 I129 I130 | S122-L126 PolarHBondContact O-N 3.45Å; S122-L126 VanDerWaalsContact O-N 3.1Å; K123-L126 PolarHBondContact O-N 3.11Å; L126-I128 PolarHBondContact O-N 3.3Å; L126-I129 PolarHBondContact O-N 3.5Å; L126-I130 HydrophobicContact CB-CD1 4.44Å; L126-I130 WeakPolarHBondContact O-CB 3.28Å; L126-I130 WeakPolarHBondContact O-CD1 3.5Å; L126-I130 WeakPolarHBondContact O-CG1 3.31Å; L126-I130 PolarHBondContact O-N 3.47Å |
| 127 | Y | 90.3 | Very high | 83.5 | Confident | 185 Ų | 185 | 108 Ų | 108 | 73% | 0.725 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.8 | -31.2 | 178 | -179.3 | -98.9 | 0 | 0 | 0 | 113.5 | K123 S125 P131 | K123-Y127 PolarHBondContact O-N 2.94Å; S125-Y127 VanDerWaalsContact C-N 3.29Å; S125-Y127 PolarHBondContact O-N 3.1Å; Y127-P131 WeakPolarHBondContact O-CD 3.15Å; Y127-P131 VanDerWaalsContact O-CG 3.23Å; Y127-P131 WeakPolarHBondContact O-CG 3.35Å |
| 128 | I | 92 | Very high | 85.3 | Confident | 106 Ų | 106 | 105 Ų | 105 | 54% | 0.544 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -83.6 | -38.4 | 176.6 | -62.1 | 170.2 | 0 | 0 | 0 | 110.7 | S125 L126 P131 L132 | S125-I128 PolarHBondContact O-N 3.32Å; S125-I128 VanDerWaalsContact O-N 3.1Å; L126-I128 PolarHBondContact O-N 3.3Å; I128-P131 WeakPolarHBondContact O-CD 3.46Å; I128-P131 WeakPolarHBondContact O-CG 3.29Å; I128-L132 HydrophobicContact CG2-CD1 4.01Å; I128-L132 VanDerWaalsContact O-CG 3.29Å; I128-L132 WeakPolarHBondContact O-CG 3.32Å; I128-L132 PolarHBondContact O-N 3.49Å |
| 129 | I | 94 | Very high | 87.1 | Confident | 69 Ų | 69 | 101.7 Ų | 101.7 | 35% | 0.354 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.7 | -42 | -177.4 | -68.7 | 167.6 | 0 | 0 | 0 | 111.5 | S125 L126 L132 I133 | S125-I129 VanDerWaalsContact O-CG1 3.28Å; S125-I129 WeakPolarHBondContact O-CG1 2.88Å; S125-I129 PolarHBondContact O-N 3.3Å; S125-I129 VanDerWaalsContact OG-CD1 3.27Å; S125-I129 WeakPolarHBondContact OG-CD1 2.92Å; L126-I129 PolarHBondContact O-N 3.5Å; I129-L132 WeakPolarHBondContact O-CB 3.23Å; I129-L132 PolarHBondContact O-N 2.94Å; I129-I133 HydrophobicContact CG2-CD1 3.47Å; I129-I133 VanDerWaalsContact CG2-CD1 3.47Å; I129-I133 HydrophobicContact CG2-CG1 4.04Å; I129-I133 VanDerWaalsContact O-CG1 3.31Å; I129-I133 WeakPolarHBondContact O-CG1 3.32Å; I129-I133 PolarHBondContact O-N 3.26Å |
| 130 | I | 94.1 | Very high | 89 | Confident | 101 Ų | 101 | 99.6 Ų | 99.6 | 52% | 0.518 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -54.9 | -54.8 | -178.9 | -68.4 | 162 | 0 | 0 | 0 | 112.5 | L126 L132 I133 V134 | L126-I130 HydrophobicContact CB-CD1 4.44Å; L126-I130 WeakPolarHBondContact O-CB 3.28Å; L126-I130 WeakPolarHBondContact O-CD1 3.5Å; L126-I130 WeakPolarHBondContact O-CG1 3.31Å; L126-I130 PolarHBondContact O-N 3.47Å; I130-L132 VanDerWaalsContact C-N 3.33Å; I130-L132 PolarHBondContact O-N 3.42Å; I130-I133 PolarHBondContact O-N 3.01Å; I130-V134 WeakPolarHBondContact O-CG2 3.36Å; I130-V134 PolarHBondContact O-N 3.32Å |
| 131 | P | 96.5 | Very high | 90.8 | Very high | 64 Ų | 64 | 96 Ų | 96 | 42% | 0.416 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.3 | -34.9 | 179.3 | 24.4 | -33.3 | 0 | 0 | 0 | 112.6 | Y127 I128 I133 V134 V135 | Y127-P131 WeakPolarHBondContact O-CD 3.15Å; Y127-P131 VanDerWaalsContact O-CG 3.23Å; Y127-P131 WeakPolarHBondContact O-CG 3.35Å; I128-P131 WeakPolarHBondContact O-CD 3.46Å; I128-P131 WeakPolarHBondContact O-CG 3.29Å; P131-I133 VanDerWaalsContact C-N 3.33Å; P131-I133 PolarHBondContact O-N 3.07Å; P131-V134 PolarHBondContact O-N 2.93Å; P131-V135 VanDerWaalsContact O-CG2 3.31Å; P131-V135 WeakPolarHBondContact O-CG2 3.16Å; P131-V135 PolarHBondContact O-N 3.49Å |
| 132 | L | 96.3 | Very high | 92.5 | Very high | 115 Ų | 115 | 91.9 Ų | 91.9 | 60% | 0.602 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.3 | -44.6 | 174.5 | -71.8 | 173.4 | 0 | 0 | 0 | 111.5 | I128 I129 I130 V135 F136 | I128-L132 HydrophobicContact CG2-CD1 4.01Å; I128-L132 VanDerWaalsContact O-CG 3.29Å; I128-L132 WeakPolarHBondContact O-CG 3.32Å; I128-L132 PolarHBondContact O-N 3.49Å; I129-L132 WeakPolarHBondContact O-CB 3.23Å; I129-L132 PolarHBondContact O-N 2.94Å; I130-L132 VanDerWaalsContact C-N 3.33Å; I130-L132 PolarHBondContact O-N 3.42Å; L132-V135 PolarHBondContact O-N 2.94Å; L132-F136 VanDerWaalsContact O-CB 3.29Å; L132-F136 WeakPolarHBondContact O-CB 3.29Å; L132-F136 PolarHBondContact O-N 3.31Å |
| 133 | I | 97.1 | Very high | 93.8 | Very high | 80 Ų | 80 | 92.2 Ų | 92.2 | 41% | 0.41 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63 | -45.3 | 176.8 | -70.9 | 175.4 | 0 | 0 | 0 | 110.8 | I129 I130 P131 V135 F136 F137 | I129-I133 HydrophobicContact CG2-CD1 3.47Å; I129-I133 VanDerWaalsContact CG2-CD1 3.47Å; I129-I133 HydrophobicContact CG2-CG1 4.04Å; I129-I133 VanDerWaalsContact O-CG1 3.31Å; I129-I133 WeakPolarHBondContact O-CG1 3.32Å; I129-I133 PolarHBondContact O-N 3.26Å; I130-I133 PolarHBondContact O-N 3.01Å; P131-I133 VanDerWaalsContact C-N 3.33Å; P131-I133 PolarHBondContact O-N 3.07Å; I133-V135 PolarHBondContact O-N 3.02Å; I133-F136 PolarHBondContact O-N 3.34Å; I133-F137 HydrophobicContact CG2-CD2 3.5Å; I133-F137 HydrophobicContact CG2-CE2 3.26Å; I133-F137 HydrophobicContact CG2-CZ 4.43Å; I133-F137 WeakPolarHBondContact O-CD2 3.31Å; I133-F137 PolarHBondContact O-N 3.24Å |
| 134 | V | 97.5 | Very high | 94.7 | Very high | 84 Ų | 84 | 89.1 Ų | 89.1 | 51% | 0.509 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.6 | -47.7 | 179 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | I130 P131 F136 F137 V138 | I130-V134 WeakPolarHBondContact O-CG2 3.36Å; I130-V134 PolarHBondContact O-N 3.32Å; P131-V134 PolarHBondContact O-N 2.93Å; V134-F136 VanDerWaalsContact C-N 3.35Å; V134-F136 PolarHBondContact O-N 3.31Å; V134-F137 PolarHBondContact O-N 3.28Å; V134-V138 WeakPolarHBondContact O-CG2 3.39Å; V134-V138 PolarHBondContact O-N 3.07Å; V134-V138 VanDerWaalsContact O-N 3.08Å |
| 135 | V | 97.3 | Very high | 95.4 | Very high | 93 Ų | 93 | 89.5 Ų | 89.5 | 56% | 0.564 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62 | -43.7 | 177.4 | 173.2 | 0 | 0 | 0 | 0 | 111 | P131 L132 I133 F137 V138 V139 | P131-V135 VanDerWaalsContact O-CG2 3.31Å; P131-V135 WeakPolarHBondContact O-CG2 3.16Å; P131-V135 PolarHBondContact O-N 3.49Å; L132-V135 PolarHBondContact O-N 2.94Å; I133-V135 PolarHBondContact O-N 3.02Å; V135-F137 PolarHBondContact O-N 3.08Å; V135-V138 PolarHBondContact O-N 3.45Å; V135-V139 HydrophobicContact CG1-CG2 4.49Å; V135-V139 WeakPolarHBondContact O-CG2 3.44Å; V135-V139 PolarHBondContact O-N 2.84Å |
| 136 | F | 97.6 | Very high | 95.9 | Very high | 132 Ų | 132 | 90.8 Ų | 90.8 | 58% | 0.579 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -57.7 | -47.1 | 176.9 | -179.9 | -103.3 | 0 | 0 | 0 | 111.7 | L132 I133 V134 V138 V139 C140 | L132-F136 VanDerWaalsContact O-CB 3.29Å; L132-F136 WeakPolarHBondContact O-CB 3.29Å; L132-F136 PolarHBondContact O-N 3.31Å; I133-F136 PolarHBondContact O-N 3.34Å; V134-F136 VanDerWaalsContact C-N 3.35Å; V134-F136 PolarHBondContact O-N 3.31Å; F136-V138 PolarHBondContact O-N 3.46Å; F136-V139 PolarHBondContact O-N 3.47Å; F136-C140 VanDerWaalsContact CE1-SG 3.53Å; F136-C140 WeakPolarHBondContact CZ-SG 3.37Å; F136-C140 WeakPolarHBondContact O-CB 3.18Å; F136-C140 PolarHBondContact O-N 3.03Å; F136-C140 PolarHBondContact O-SG 2.84Å |
| 137 | F | 97.6 | Very high | 96.2 | Very high | 119 Ų | 119 | 90.9 Ų | 90.9 | 52% | 0.522 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.5 | -41.8 | 177.5 | -80.1 | -60.8 | 0 | 0 | 0 | 113 | I133 V134 V135 V139 C140 I141 | I133-F137 HydrophobicContact CG2-CD2 3.5Å; I133-F137 HydrophobicContact CG2-CE2 3.26Å; I133-F137 HydrophobicContact CG2-CZ 4.43Å; I133-F137 WeakPolarHBondContact O-CD2 3.31Å; I133-F137 PolarHBondContact O-N 3.24Å; V134-F137 PolarHBondContact O-N 3.28Å; V135-F137 PolarHBondContact O-N 3.08Å; F137-V139 VanDerWaalsContact C-N 3.34Å; F137-V139 PolarHBondContact O-N 3.26Å; F137-C140 PolarHBondContact O-N 3.48Å; F137-I141 WeakPolarHBondContact O-CB 3.4Å; F137-I141 WeakPolarHBondContact O-CD1 3.38Å; F137-I141 WeakPolarHBondContact O-CG1 3.45Å; F137-I141 PolarHBondContact O-N 3.48Å |
| 138 | V | 97.6 | Very high | 96.5 | Very high | 99 Ų | 99 | 90.1 Ų | 90.1 | 60% | 0.6 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.1 | -45.9 | 177 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | V134 V135 F136 G142 | V134-V138 WeakPolarHBondContact O-CG2 3.39Å; V134-V138 PolarHBondContact O-N 3.07Å; V134-V138 VanDerWaalsContact O-N 3.08Å; V135-V138 PolarHBondContact O-N 3.45Å; F136-V138 PolarHBondContact O-N 3.46Å; V138-G142 PolarHBondContact O-N 3.39Å |
| 139 | V | 97.8 | Very high | 96.6 | Very high | 85 Ų | 85 | 89.8 Ų | 89.8 | 52% | 0.515 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.8 | -46.6 | 176.6 | 175.2 | 0 | 0 | 0 | 0 | 110.9 | V135 F136 F137 I141 G142 C143 | V135-V139 HydrophobicContact CG1-CG2 4.49Å; V135-V139 WeakPolarHBondContact O-CG2 3.44Å; V135-V139 PolarHBondContact O-N 2.84Å; F136-V139 PolarHBondContact O-N 3.47Å; F137-V139 VanDerWaalsContact C-N 3.34Å; F137-V139 PolarHBondContact O-N 3.26Å; V139-I141 PolarHBondContact O-N 3.27Å; V139-G142 PolarHBondContact O-N 2.89Å; V139-C143 WeakPolarHBondContact O-CB 3.28Å; V139-C143 PolarHBondContact O-N 2.84Å; V139-C143 PolarHBondContact O-SG 3.3Å |
| 140 | C | 97.9 | Very high | 96.5 | Very high | 48 Ų | 48 | 93.8 Ų | 93.8 | 32% | 0.324 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 179 | -74 | 0 | 0 | 0 | 0 | 112.6 | F136 F137 C143 A144 | F136-C140 VanDerWaalsContact CE1-SG 3.53Å; F136-C140 WeakPolarHBondContact CZ-SG 3.37Å; F136-C140 WeakPolarHBondContact O-CB 3.18Å; F136-C140 PolarHBondContact O-N 3.03Å; F136-C140 PolarHBondContact O-SG 2.84Å; F137-C140 PolarHBondContact O-N 3.48Å; C140-C143 PolarHBondContact O-N 2.86Å; C140-A144 VanDerWaalsContact O-CB 3.32Å; C140-A144 WeakPolarHBondContact O-CB 3.32Å; C140-A144 PolarHBondContact O-N 3.31Å |
| 141 | I | 97.6 | Very high | 96.5 | Very high | 100 Ų | 100 | 97.8 Ų | 97.8 | 51% | 0.513 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.5 | -45.7 | 177.4 | -67.8 | 164.5 | 0 | 0 | 0 | 109.8 | F137 V139 C143 A144 I145 | F137-I141 WeakPolarHBondContact O-CB 3.4Å; F137-I141 WeakPolarHBondContact O-CD1 3.38Å; F137-I141 WeakPolarHBondContact O-CG1 3.45Å; F137-I141 PolarHBondContact O-N 3.48Å; V139-I141 PolarHBondContact O-N 3.27Å; I141-C143 PolarHBondContact O-N 3.45Å; I141-A144 PolarHBondContact O-N 3.27Å; I141-I145 HydrophobicContact CG2-CD1 3.69Å; I141-I145 HydrophobicContact CG2-CG1 4.44Å; I141-I145 VanDerWaalsContact O-CG1 3.28Å; I141-I145 WeakPolarHBondContact O-CG1 3.28Å; I141-I145 PolarHBondContact O-N 2.85Å |
| 142 | G | 96.8 | Very high | 96.3 | Very high | 32 Ų | 32 | 102 Ų | 102 | 33% | 0.33 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -57.4 | -48.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V138 V139 A144 I145 C146 | V138-G142 PolarHBondContact O-N 3.39Å; V139-G142 PolarHBondContact O-N 2.89Å; G142-A144 PolarHBondContact O-N 3.46Å; G142-I145 PolarHBondContact O-N 3.47Å; G142-C146 WeakPolarHBondContact O-CB 3.33Å; G142-C146 PolarHBondContact O-N 3.39Å; G142-C146 PolarHBondContact O-SG 3.44Å |
| 143 | C | 97.3 | Very high | 96 | Very high | 66 Ų | 66 | 104.9 Ų | 104.9 | 45% | 0.446 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61 | -43.7 | 176.2 | -70.6 | 0 | 0 | 0 | 0 | 112.3 | V139 C140 I141 C146 L147 | V139-C143 WeakPolarHBondContact O-CB 3.28Å; V139-C143 PolarHBondContact O-N 2.84Å; V139-C143 PolarHBondContact O-SG 3.3Å; C140-C143 PolarHBondContact O-N 2.86Å; I141-C143 PolarHBondContact O-N 3.45Å; C143-C146 PolarHBondContact O-N 3.21Å; C143-L147 WeakPolarHBondContact O-CB 3.41Å; C143-L147 VanDerWaalsContact O-CG 3.24Å; C143-L147 WeakPolarHBondContact O-CG 3.34Å; C143-L147 PolarHBondContact O-N 2.86Å |
| 144 | A | 97 | Very high | 95.3 | Very high | 58 Ų | 58 | 108.7 Ų | 108.7 | 48% | 0.479 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | C140 I141 G142 L147 W148 | C140-A144 VanDerWaalsContact O-CB 3.32Å; C140-A144 WeakPolarHBondContact O-CB 3.32Å; C140-A144 PolarHBondContact O-N 3.31Å; I141-A144 PolarHBondContact O-N 3.27Å; G142-A144 PolarHBondContact O-N 3.46Å; A144-L147 PolarHBondContact O-N 2.97Å; A144-W148 VanDerWaalsContact O-CB 3.28Å; A144-W148 WeakPolarHBondContact O-CB 3.45Å; A144-W148 PolarHBondContact O-N 3.02Å |
| 145 | I | 96.7 | Very high | 94.3 | Very high | 86 Ų | 86 | 109.1 Ų | 109.1 | 44% | 0.441 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65 | -46.6 | 176.8 | -64.1 | 165.9 | 0 | 0 | 0 | 110.4 | I141 G142 L147 W148 L149 | I141-I145 HydrophobicContact CG2-CD1 3.69Å; I141-I145 HydrophobicContact CG2-CG1 4.44Å; I141-I145 VanDerWaalsContact O-CG1 3.28Å; I141-I145 WeakPolarHBondContact O-CG1 3.28Å; I141-I145 PolarHBondContact O-N 2.85Å; G142-I145 PolarHBondContact O-N 3.47Å; I145-L147 PolarHBondContact O-N 2.89Å; I145-W148 PolarHBondContact O-N 3.38Å; I145-L149 HydrophobicContact CG2-CD1 4.09Å; I145-L149 HydrophobicContact CG2-CG 4.41Å; I145-L149 WeakPolarHBondContact O-CG 3.31Å; I145-L149 PolarHBondContact O-N 2.91Å |
| 146 | C | 96 | Very high | 92.8 | Very high | 85 Ų | 85 | 110.1 Ų | 110.1 | 57% | 0.574 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -58.4 | -46.4 | 177.1 | -74.3 | 0 | 0 | 0 | 0 | 112.1 | G142 C143 W148 L149 Y150 | G142-C146 WeakPolarHBondContact O-CB 3.33Å; G142-C146 PolarHBondContact O-N 3.39Å; G142-C146 PolarHBondContact O-SG 3.44Å; C143-C146 PolarHBondContact O-N 3.21Å; C146-W148 VanDerWaalsContact C-N 3.34Å; C146-L149 PolarHBondContact O-N 3.46Å; C146-Y150 VanDerWaalsContact O-CB 3.31Å; C146-Y150 WeakPolarHBondContact O-CB 3.24Å; C146-Y150 PolarHBondContact O-N 2.92Å |
| 147 | L | 96 | Very high | 91.1 | Very high | 102 Ų | 102 | 112.9 Ų | 112.9 | 53% | 0.534 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.8 | -38.9 | 177 | -73.8 | 173.6 | 0 | 0 | 0 | 111.9 | C143 A144 I145 Y150 R151 | C143-L147 WeakPolarHBondContact O-CB 3.41Å; C143-L147 VanDerWaalsContact O-CG 3.24Å; C143-L147 WeakPolarHBondContact O-CG 3.34Å; C143-L147 PolarHBondContact O-N 2.86Å; A144-L147 PolarHBondContact O-N 2.97Å; I145-L147 PolarHBondContact O-N 2.89Å; L147-Y150 PolarHBondContact O-N 3.43Å; L147-R151 WeakPolarHBondContact O-CB 3.34Å; L147-R151 WeakPolarHBondContact O-CG 3.37Å; L147-R151 PolarHBondContact O-N 3.22Å |
| 148 | W | 95.4 | Very high | 90.8 | Very high | 169 Ų | 169 | 112.6 Ų | 112.6 | 64% | 0.64 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.6 | -45.2 | 177.2 | -176.3 | 37.4 | 0 | 0 | 0 | 111.7 | A144 I145 C146 R151 R152 | A144-W148 VanDerWaalsContact O-CB 3.28Å; A144-W148 WeakPolarHBondContact O-CB 3.45Å; A144-W148 PolarHBondContact O-N 3.02Å; I145-W148 PolarHBondContact O-N 3.38Å; C146-W148 VanDerWaalsContact C-N 3.34Å; W148-R151 PolarHBondContact O-N 2.92Å; W148-R152 WeakPolarHBondContact O-CB 3.33Å; W148-R152 PolarHBondContact O-N 3.42Å |
| 149 | L | 94.3 | Very high | 90.4 | Very high | 98 Ų | 98 | 113.3 Ų | 113.3 | 51% | 0.513 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.8 | -41.8 | 175.7 | -68.8 | 176.9 | 0 | 0 | 0 | 112.1 | I145 C146 R151 R152 K153 | I145-L149 HydrophobicContact CG2-CD1 4.09Å; I145-L149 HydrophobicContact CG2-CG 4.41Å; I145-L149 WeakPolarHBondContact O-CG 3.31Å; I145-L149 PolarHBondContact O-N 2.91Å; C146-L149 PolarHBondContact O-N 3.46Å; L149-R151 PolarHBondContact O-N 3.41Å; L149-R152 PolarHBondContact O-N 3.49Å; L149-K153 PolarHBondContact O-N 3.22Å |
| 150 | Y | 93.1 | Very high | 90 | Very high | 153 Ų | 153 | 114.8 Ų | 114.8 | 60% | 0.6 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -60.6 | -45.9 | 176 | 179.8 | -100.9 | 0 | 0 | 0 | 111.6 | C146 L147 K153 K154 | C146-Y150 VanDerWaalsContact O-CB 3.31Å; C146-Y150 WeakPolarHBondContact O-CB 3.24Å; C146-Y150 PolarHBondContact O-N 2.92Å; L147-Y150 PolarHBondContact O-N 3.43Å; Y150-K153 PolarHBondContact O-N 3.05Å; Y150-K154 PolarHBondContact O-N 3.41Å |
| 151 | R | 93.1 | Very high | 89.6 | Confident | 185 Ų | 185 | 118.8 Ų | 118.8 | 70% | 0.698 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65 | -40.4 | 175.3 | -74.6 | -177.1 | 179.3 | -172 | 1.4 | 112.1 | L147 W148 L149 K153 K154 S155 | L147-R151 WeakPolarHBondContact O-CB 3.34Å; L147-R151 WeakPolarHBondContact O-CG 3.37Å; L147-R151 PolarHBondContact O-N 3.22Å; W148-R151 PolarHBondContact O-N 2.92Å; L149-R151 PolarHBondContact O-N 3.41Å; R151-K153 VanDerWaalsContact C-N 3.33Å; R151-K153 PolarHBondContact O-N 3.45Å; R151-K154 PolarHBondContact O-N 2.93Å; R151-S155 WeakPolarHBondContact O-CB 3.42Å; R151-S155 PolarHBondContact O-N 3.06Å |
| 152 | R | 93.3 | Very high | 89.1 | Confident | 154 Ų | 154 | 119.9 Ų | 119.9 | 58% | 0.581 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62 | -40.2 | 177.5 | -174.6 | 175.7 | -178.5 | 167.6 | 1 | 111.9 | W148 L149 N156 | W148-R152 WeakPolarHBondContact O-CB 3.33Å; W148-R152 PolarHBondContact O-N 3.42Å; L149-R152 PolarHBondContact O-N 3.49Å; R152-N156 PolarHBondContact O-ND2 2.89Å |
| 153 | K | 88 | Confident | 88.6 | Confident | 175 Ų | 175 | 125.8 Ų | 125.8 | 76% | 0.761 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -67.1 | -40.5 | 174.8 | -172.4 | 174.8 | 178 | 176.3 | 0 | 111.6 | L149 Y150 R151 S155 N156 | L149-K153 PolarHBondContact O-N 3.22Å; Y150-K153 PolarHBondContact O-N 3.05Å; R151-K153 VanDerWaalsContact C-N 3.33Å; R151-K153 PolarHBondContact O-N 3.45Å; K153-S155 VanDerWaalsContact C-N 3.34Å; K153-S155 PolarHBondContact O-N 3.27Å; K153-N156 PolarHBondContact O-N 3.5Å; K153-N156 VanDerWaalsContact O-O 3.12Å |
| 154 | K | 83.2 | Confident | 87.9 | Confident | 159 Ų | 159 | 130.1 Ų | 130.1 | 69% | 0.691 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -71.5 | -26.3 | 178.1 | -168.4 | 173.2 | -180 | 178.6 | 0 | 113.6 | Y150 R151 N156 | Y150-K154 PolarHBondContact O-N 3.41Å; R151-K154 PolarHBondContact O-N 2.93Å; K154-N156 VanDerWaalsContact C-N 3.3Å |
| 155 | S | 76.5 | Confident | 87.2 | Confident | 93 Ų | 93 | 135.6 Ų | 135.6 | 65% | 0.65 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -10.6 | 177.1 | -172.4 | 0 | 0 | 0 | 0 | 113.8 | R151 K153 P157 | R151-S155 WeakPolarHBondContact O-CB 3.42Å; R151-S155 PolarHBondContact O-N 3.06Å; K153-S155 VanDerWaalsContact C-N 3.34Å; K153-S155 PolarHBondContact O-N 3.27Å; S155-P157 WeakPolarHBondContact O-CD 3.41Å |
| 156 | N | 65.9 | Low | 86.4 | Confident | 114 Ų | 114 | 139.8 Ų | 139.8 | 61% | 0.61 | 67% | 0.674 | S | S | * | * | | | trans | -115.9 | 83.4 | 171.7 | -68 | -75.7 | 0 | 0 | 0 | 108 | R152 K153 K154 | R152-N156 PolarHBondContact O-ND2 2.89Å; K153-N156 PolarHBondContact O-N 3.5Å; K153-N156 VanDerWaalsContact O-O 3.12Å; K154-N156 VanDerWaalsContact C-N 3.3Å |
| 157 | P | 62.5 | Low | 85.6 | Confident | 190 Ų | 190 | 144.7 Ų | 144.7 | 100% | 1.234 | 68% | 0.683 | S | S | * | * | | | trans | -61.7 | 0 | 173.9 | 28.1 | -34.3 | 0 | 0 | 0 | 112.2 | S155 | S155-P157 WeakPolarHBondContact O-CD 3.41Š|