| 1 | M | 41.9 | Very low | 53.3 | Low | 209 Ų | 209 | 143.6 Ų | 143.6 | 100% | 1.03 | 82% | 0.818 | S | S | * | * | | | | 0 | 98.8 | 0 | -157 | 168.6 | -169 | 0 | 0 | 105.9 | F3 | M1-F3 HydrophobicContact CG-CE2 4.46Å; M1-F3 HydrophobicContact SD-CZ 4.49Å |
| 2 | F | 43.6 | Very low | 53.5 | Low | 213 Ų | 213 | 143.1 Ų | 143.1 | 93% | 0.934 | 81% | 0.809 | S | S | * | * | | | trans | -83 | 116.3 | -177 | -68.5 | -75.9 | 0 | 0 | 0 | 108.4 | S4 | F2-S4 PolarHBondContact O-N 3.45Š|
| 3 | F | 49.3 | Very low | 53.8 | Low | 184 Ų | 184 | 138.9 Ų | 138.9 | 81% | 0.807 | 80% | 0.804 | S | S | * | * | | | trans | -85.2 | 108.5 | 170.5 | -74.9 | -79.3 | 0 | 0 | 0 | 108.6 | M1 | M1-F3 HydrophobicContact CG-CE2 4.46Å; M1-F3 HydrophobicContact SD-CZ 4.49Å |
| 4 | S | 53.3 | Low | 54.1 | Low | 116 Ų | 116 | 141.3 Ų | 141.3 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | | | trans | -65.9 | 127.7 | 162.4 | 171 | 0 | 0 | 0 | 0 | 108.5 | F2 | F2-S4 PolarHBondContact O-N 3.45Š|
| 5 | N | 54 | Low | 54.5 | Low | 163 Ų | 163 | 140.5 Ų | 140.5 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | | | trans | -125.1 | 117.1 | 156.1 | -157.7 | 6.3 | 0 | 0 | 0 | 108.2 | C7 | N5-C7 PolarHBondContact O-N 3.08Š|
| 6 | G | 47.6 | Very low | 54.1 | Low | 58 Ų | 58 | 139.4 Ų | 139.4 | 60% | 0.598 | 79% | 0.794 | S | S | * | * | | | trans | -67.5 | 123.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | N8 | G6-N8 PolarHBondContact O-N 3.43Å; G6-N8 VanDerWaalsContact O-N 3.08Å |
| 7 | C | 52.1 | Low | 53.6 | Low | 136 Ų | 136 | 135.5 Ų | 135.5 | 92% | 0.919 | 79% | 0.791 | S | S | * | * | | | trans | -68.9 | 101 | 167.2 | -160.2 | 0 | 0 | 0 | 0 | 107.7 | N5 G9 | N5-C7 PolarHBondContact O-N 3.08Å; C7-G9 PolarHBondContact O-N 3.13Å |
| 8 | N | 62.3 | Low | 53.1 | Low | 158 Ų | 158 | 137.2 Ų | 137.2 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | | | trans | -83.5 | 92.4 | 176.7 | -146.4 | 10.2 | 0 | 0 | 0 | 107.7 | G6 V10 | G6-N8 PolarHBondContact O-N 3.43Å; G6-N8 VanDerWaalsContact O-N 3.08Å; N8-V10 PolarHBondContact O-N 3.24Å |
| 9 | G | 57.9 | Low | 53 | Low | 57 Ų | 57 | 140.4 Ų | 140.4 | 59% | 0.588 | 79% | 0.794 | S | S | * | * | | | trans | -64 | 115.6 | 177 | 0 | 0 | 0 | 0 | 0 | 110.3 | C7 I11 | C7-G9 PolarHBondContact O-N 3.13Å; G9-I11 PolarHBondContact O-N 3.2Å; G9-I11 VanDerWaalsContact O-N 3.13Å |
| 10 | V | 60.3 | Low | 52.4 | Low | 132 Ų | 132 | 140.6 Ų | 140.6 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | | | trans | -71.7 | 105.5 | 171.5 | 178.7 | 0 | 0 | 0 | 0 | 107.5 | N8 L12 | N8-V10 PolarHBondContact O-N 3.24Å; V10-L12 PolarHBondContact O-N 2.93Å |
| 11 | I | 64 | Low | 52.1 | Low | 154 Ų | 154 | 138.9 Ų | 138.9 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | | | trans | -76 | 105.1 | 171.1 | -60.9 | 175.3 | 0 | 0 | 0 | 106.9 | G9 A13 | G9-I11 PolarHBondContact O-N 3.2Å; G9-I11 VanDerWaalsContact O-N 3.13Å; I11-A13 PolarHBondContact O-N 3.03Å |
| 12 | L | 56 | Low | 52.3 | Low | 137 Ų | 137 | 136.8 Ų | 136.8 | 72% | 0.717 | 78% | 0.782 | S | S | * | * | | | trans | -70.9 | 95.2 | 166.8 | -82.4 | 160.5 | 0 | 0 | 0 | 108.2 | V10 F14 | V10-L12 PolarHBondContact O-N 2.93Å; L12-F14 HydrophobicContact CB-CE2 4.33Å |
| 13 | A | 57.9 | Low | 52.2 | Low | 89 Ų | 89 | 131.4 Ų | 131.4 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | | | trans | -83 | 110.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | I11 | I11-A13 PolarHBondContact O-N 3.03Š|
| 14 | F | 57.4 | Low | 51.9 | Low | 172 Ų | 172 | 129.2 Ų | 129.2 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | | | trans | -79.3 | 138.9 | 164.9 | -64.4 | -85.1 | 0 | 0 | 0 | 108.6 | L12 D16 | L12-F14 HydrophobicContact CB-CE2 4.33Å; F14-D16 PolarHBondContact O-N 3.06Å |
| 15 | P | 60.3 | Low | 51.3 | Low | 129 Ų | 129 | 132.5 Ų | 132.5 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | | | trans | -65.8 | 109.8 | 175 | 24.9 | -30.2 | 0 | 0 | 0 | 109.8 | G17 | P15-G17 PolarHBondContact O-N 3.18Š|
| 16 | D | 47.2 | Very low | 50.4 | Low | 124 Ų | 124 | 132 Ų | 132 | 66% | 0.663 | 77% | 0.774 | S | S | * | * | | | trans | -60.2 | 106.4 | 168.1 | 178.5 | 28.3 | 0 | 0 | 0 | 108.9 | F14 K18 | F14-D16 PolarHBondContact O-N 3.06Å; D16-K18 VanDerWaalsContact C-N 3.31Å; D16-K18 PolarHBondContact O-N 3.26Å; D16-K18 VanDerWaalsContact OD2-CE 3.28Å; D16-K18 WeakPolarHBondContact OD2-CE 3.28Å |
| 17 | G | 45.9 | Very low | 49.8 | Very low | 72 Ų | 72 | 139.2 Ų | 139.2 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | | | trans | -69 | 87.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | P15 E19 | P15-G17 PolarHBondContact O-N 3.18Å; G17-E19 PolarHBondContact O-N 3.15Å; G17-E19 VanDerWaalsContact O-N 3.15Å |
| 18 | K | 44.5 | Very low | 49.1 | Very low | 167 Ų | 167 | 137 Ų | 137 | 73% | 0.726 | 78% | 0.775 | S | S | * | * | | | trans | -78.2 | 86 | 167.9 | -64.7 | -174.2 | 179.4 | -165.4 | 0 | 109.7 | D16 | D16-K18 VanDerWaalsContact C-N 3.31Å; D16-K18 PolarHBondContact O-N 3.26Å; D16-K18 VanDerWaalsContact OD2-CE 3.28Å; D16-K18 WeakPolarHBondContact OD2-CE 3.28Å |
| 19 | E | 51.5 | Low | 48.2 | Very low | 197 Ų | 197 | 134.1 Ų | 134.1 | 92% | 0.921 | 77% | 0.767 | S | S | * | * | | | trans | -93.4 | 94.1 | 153.1 | -81.3 | -167.8 | 156.6 | 0 | 0 | 108.2 | G17 | G17-E19 PolarHBondContact O-N 3.15Å; G17-E19 VanDerWaalsContact O-N 3.15Å |
| 20 | D | 42 | Very low | 47.2 | Very low | 145 Ų | 145 | 139 Ų | 139 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | | | trans | -85 | 139.9 | 166.8 | -101.1 | -28.8 | 0 | 0 | 0 | 109.8 | | |
| 21 | S | 45 | Very low | 46.5 | Very low | 105 Ų | 105 | 141.3 Ų | 141.3 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | | | trans | 83.4 | 98.3 | 154.5 | -51.5 | 0 | 0 | 0 | 0 | 117.9 | | |
| 22 | L | 45.4 | Very low | 45.4 | Very low | 164 Ų | 164 | 142.3 Ų | 142.3 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | | | | -154.5 | 97.3 | 107.8 | -91.6 | 177.8 | 0 | 0 | 0 | 109.1 | T24 | L22-T24 PolarHBondContact O-N 3.49Š|
| 23 | A | 42.1 | Very low | 44.6 | Very low | 101 Ų | 101 | 142.3 Ų | 142.3 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | | | trans | -73.5 | 118 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 24 | T | 43.9 | Very low | 44 | Very low | 137 Ų | 137 | 142.6 Ų | 142.6 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | | | trans | -115 | 97.4 | 163.6 | 33.8 | 0 | 0 | 0 | 0 | 108.8 | L22 | L22-T24 PolarHBondContact O-N 3.49Š|
| 25 | E | 39.3 | Very low | 43.6 | Very low | 186 Ų | 186 | 142.2 Ų | 142.2 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | | | trans | -134.5 | 114.1 | 159.1 | -171.9 | -176.1 | 148.8 | 0 | 0 | 107.5 | | |
| 26 | E | 36.3 | Very low | 42.7 | Very low | 152 Ų | 152 | 142.2 Ų | 142.2 | 71% | 0.71 | 78% | 0.779 | S | S | * | * | | | trans | -165.4 | 109.2 | 135.1 | -172.3 | 153.5 | -168.1 | 0 | 0 | 111.8 | | |
| 27 | R | 34.7 | Very low | 42.4 | Very low | 209 Ų | 209 | 142.5 Ų | 142.5 | 79% | 0.789 | 78% | 0.781 | S | S | * | * | | | trans | 59.6 | 119.7 | 139 | -69.4 | 178.8 | 178.1 | 160.6 | -7.1 | 122 | | |
| 28 | A | 37.9 | Very low | 42.3 | Very low | 89 Ų | 89 | 148 Ų | 148 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | | | | 77.5 | 132.3 | 93.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 29 | S | 43.3 | Very low | 42.2 | Very low | 99 Ų | 99 | 150 Ų | 150 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | | | cis | -169.1 | 169.6 | 33.9 | -32.8 | 0 | 0 | 0 | 0 | 108.7 | | |
| 30 | D | 37.4 | Very low | 41.8 | Very low | 160 Ų | 160 | 147.9 Ų | 147.9 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | | | trans | 73.8 | 132.6 | 162.3 | -53.5 | -24 | 0 | 0 | 0 | 117 | | |
| 31 | K | 45.3 | Very low | 42.3 | Very low | 179 Ų | 179 | 148.6 Ų | 148.6 | 78% | 0.778 | 79% | 0.788 | S | S | * | * | | | cis | -160.9 | 134.1 | 28 | -175.7 | 171.1 | 179.4 | 173.4 | 0 | 109.3 | | |
| 32 | E | 41.1 | Very low | 42.4 | Very low | 176 Ų | 176 | 148.1 Ų | 148.1 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | | | trans | -69.3 | 127.1 | 164.2 | 180 | -176 | 174 | 0 | 0 | 110 | | |
| 33 | N | 38.1 | Very low | 42.5 | Very low | 137 Ų | 137 | 148.5 Ų | 148.5 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | | | trans | -147.3 | 92.8 | 153.7 | 48.3 | -9.7 | 0 | 0 | 0 | 109.5 | | |
| 34 | S | 44.9 | Very low | 42.6 | Very low | 95 Ų | 95 | 152 Ų | 152 | 66% | 0.664 | 79% | 0.786 | S | S | * | * | | | trans | -57.3 | 139.9 | 155.7 | 65.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 35 | I | 48.8 | Very low | 42.8 | Very low | 163 Ų | 163 | 149.4 Ų | 149.4 | 84% | 0.836 | 77% | 0.773 | S | S | * | * | | | trans | -161.4 | 106.2 | 143.2 | -92 | 143.7 | 0 | 0 | 0 | 105.3 | | |
| 36 | V | 42.8 | Very low | 43.1 | Very low | 129 Ų | 129 | 150.4 Ų | 150.4 | 78% | 0.782 | 78% | 0.775 | S | S | * | * | | | trans | -99.1 | 147.8 | 160.2 | 164 | 0 | 0 | 0 | 0 | 106.7 | | |
| 37 | D | 40.6 | Very low | 43.4 | Very low | 130 Ų | 130 | 148.1 Ų | 148.1 | 70% | 0.695 | 78% | 0.776 | S | S | * | * | | | trans | 75.3 | 115.9 | 170.7 | -80.8 | -23.8 | 0 | 0 | 0 | 117.9 | | |
| 38 | Q | 42.9 | Very low | 43.9 | Very low | 187 Ų | 187 | 147.5 Ų | 147.5 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | | | | -169.9 | 139.5 | 85.1 | -130.5 | 164 | 31.5 | 0 | 0 | 111.4 | | |
| 39 | R | 42 | Very low | 44.4 | Very low | 210 Ų | 210 | 149.6 Ų | 149.6 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | | | trans | -66.5 | 145.5 | 171.4 | -46.8 | -175.1 | -138.3 | 163.9 | 4 | 109.2 | | |
| 40 | D | 43.4 | Very low | 44.5 | Very low | 152 Ų | 152 | 153.6 Ų | 153.6 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | | | trans | -142.1 | 111.3 | 144.4 | -124.6 | -18.3 | 0 | 0 | 0 | 111.6 | | |
| 41 | L | 53.5 | Low | 44.9 | Very low | 160 Ų | 160 | 153.5 Ų | 153.5 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | | | trans | -84.5 | 103.3 | 169.5 | -74.5 | 160.5 | 0 | 0 | 0 | 106.4 | | |
| 42 | S | 47.6 | Very low | 44.7 | Very low | 96 Ų | 96 | 150.6 Ų | 150.6 | 67% | 0.671 | 79% | 0.791 | S | S | * | * | | | trans | -154.9 | 135.2 | 163.4 | 44.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 43 | E | 46.9 | Very low | 45.1 | Very low | 172 Ų | 172 | 149.5 Ų | 149.5 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | trans | 75.5 | 71.1 | 165.3 | -61.1 | -172.6 | 157.3 | 0 | 0 | 118.6 | | |
| 44 | L | 44.7 | Very low | 45.6 | Very low | 174 Ų | 174 | 154 Ų | 154 | 91% | 0.911 | 80% | 0.797 | S | S | * | * | | | trans | -103.5 | 76 | 139.4 | -99.8 | 158.7 | 0 | 0 | 0 | 108.6 | | |
| 45 | S | 46.7 | Very low | 45.5 | Very low | 82 Ų | 82 | 152.4 Ų | 152.4 | 57% | 0.573 | 80% | 0.795 | S | S | * | * | | | trans | -84.1 | 115.1 | 169.3 | -61.6 | 0 | 0 | 0 | 0 | 109 | | |
| 46 | F | 45.9 | Very low | 45.3 | Very low | 207 Ų | 207 | 150.8 Ų | 150.8 | 91% | 0.908 | 79% | 0.788 | S | S | * | * | | | trans | -149.5 | 122.8 | 146 | -79.3 | -68.7 | 0 | 0 | 0 | 110 | | |
| 47 | S | 43.3 | Very low | 45.8 | Very low | 105 Ų | 105 | 150.2 Ų | 150.2 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | | | trans | -87.9 | 142.5 | 179.5 | 71.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 48 | E | 44.8 | Very low | 46.1 | Very low | 195 Ų | 195 | 152 Ų | 152 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | | | trans | -147.1 | 138.7 | 146.2 | -161.7 | 161 | -171.6 | 0 | 0 | 110.5 | | |
| 49 | N | 48.3 | Very low | 46.6 | Very low | 133 Ų | 133 | 147.7 Ų | 147.7 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | | | trans | -100.6 | 159.5 | -156.2 | -70.1 | -49.6 | 0 | 0 | 0 | 113.2 | | |
| 50 | Q | 45.1 | Very low | 47.2 | Very low | 183 Ų | 183 | 146.9 Ų | 146.9 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | | | trans | 78.6 | 100.7 | 150.1 | -76.1 | 179.5 | 19 | 0 | 0 | 120.3 | | |
| 51 | D | 46.1 | Very low | 47.7 | Very low | 158 Ų | 158 | 145.5 Ų | 145.5 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | | | | 41.9 | 106.7 | 121 | -99.5 | -19.8 | 0 | 0 | 0 | 119.1 | | |
| 52 | S | 41.9 | Very low | 47.7 | Very low | 119 Ų | 119 | 142.6 Ų | 142.6 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | | | trans | -153.5 | 104.7 | 135 | -145.4 | 0 | 0 | 0 | 0 | 111.1 | R54 | S52-R54 PolarHBondContact O-N 2.65Š|
| 53 | N | 48.9 | Very low | 48 | Very low | 152 Ų | 152 | 146.2 Ų | 146.2 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | | | trans | -46.1 | 107.2 | 159.9 | 168.4 | 12.7 | 0 | 0 | 0 | 110.5 | | |
| 54 | R | 49.2 | Very low | 48.4 | Very low | 233 Ų | 233 | 146.2 Ų | 146.2 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | | | trans | -139.8 | 92.7 | 159.4 | -164.3 | 167.8 | -178 | -112.7 | 0.9 | 108.3 | S52 | S52-R54 PolarHBondContact O-N 2.65Š|
| 55 | G | 42.7 | Very low | 48.9 | Very low | 60 Ų | 60 | 145 Ų | 145 | 62% | 0.619 | 77% | 0.766 | S | S | * | * | | | trans | -53.8 | 144.9 | 165 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 56 | N | 44.4 | Very low | 49.4 | Very low | 130 Ų | 130 | 146.9 Ų | 146.9 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | | | | 179.5 | 105.2 | 127.8 | -158.7 | 58.2 | 0 | 0 | 0 | 109.6 | | |
| 57 | I | 52.7 | Low | 50.1 | Low | 116 Ų | 116 | 141 Ų | 141 | 60% | 0.595 | 75% | 0.754 | S | S | * | * | | | trans | 39.6 | 136.4 | 133.1 | -21.4 | 158.8 | 0 | 0 | 0 | 120.5 | | |
| 58 | F | 46.1 | Very low | 50.9 | Low | 167 Ų | 167 | 142.7 Ų | 142.7 | 73% | 0.732 | 76% | 0.755 | S | S | * | * | | | trans | 111.4 | 100.9 | 149.4 | -62.2 | -68.3 | 0 | 0 | 0 | 117.5 | | |
| 59 | S | 54.3 | Low | 51.6 | Low | 97 Ų | 97 | 140.9 Ų | 140.9 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | | | | 58.3 | 103.4 | 123.1 | -52.3 | 0 | 0 | 0 | 0 | 118.3 | | |
| 60 | Q | 54 | Low | 52.2 | Low | 193 Ų | 193 | 145 Ų | 145 | 90% | 0.902 | 76% | 0.759 | S | S | * | * | | | | -143 | 94.8 | 127.2 | -70.4 | -161.5 | -45 | 0 | 0 | 109.1 | S62 | Q60-S62 PolarHBondContact O-N 3.36Š|
| 61 | S | 53.7 | Low | 53.1 | Low | 124 Ų | 124 | 140.2 Ų | 140.2 | 87% | 0.867 | 75% | 0.75 | S | S | * | * | | | trans | -64.6 | 102.9 | 156 | 36 | 0 | 0 | 0 | 0 | 107.6 | | |
| 62 | S | 54.3 | Low | 53.8 | Low | 99 Ų | 99 | 141.7 Ų | 141.7 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | | | trans | -104.6 | 82.1 | 164.8 | -178.1 | 0 | 0 | 0 | 0 | 107.3 | Q60 F64 | Q60-S62 PolarHBondContact O-N 3.36Å; S62-F64 PolarHBondContact O-N 3.35Å |
| 63 | E | 54.8 | Low | 54.8 | Low | 172 Ų | 172 | 144.5 Ų | 144.5 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | | | trans | -69.5 | 90.6 | 159.4 | -173.4 | 178.4 | 135.9 | 0 | 0 | 106.1 | | |
| 64 | F | 55.2 | Low | 55.3 | Low | 172 Ų | 172 | 144.3 Ų | 144.3 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | | | trans | -99 | 88.6 | 163.1 | -144.5 | -89.2 | 0 | 0 | 0 | 105.9 | S62 D66 | S62-F64 PolarHBondContact O-N 3.35Å; F64-D66 VanDerWaalsContact C-N 3.27Å; F64-D66 HydrophobicContact CD1-CB 4.46Å; F64-D66 PolarHBondContact O-N 2.92Å |
| 65 | E | 53.5 | Low | 55.7 | Low | 148 Ų | 148 | 141.7 Ų | 141.7 | 69% | 0.692 | 75% | 0.751 | S | S | * | * | | | trans | -69.1 | 95.6 | 161.7 | -161.2 | 166.6 | -151.5 | 0 | 0 | 105.7 | S67 | E65-S67 PolarHBondContact O-N 3.25Š|
| 66 | D | 58.2 | Low | 57 | Low | 122 Ų | 122 | 144.7 Ų | 144.7 | 65% | 0.652 | 76% | 0.758 | S | S | * | * | | | trans | -68.5 | 69.4 | 169.8 | -171 | 21.6 | 0 | 0 | 0 | 108.3 | F64 N68 | F64-D66 VanDerWaalsContact C-N 3.27Å; F64-D66 HydrophobicContact CD1-CB 4.46Å; F64-D66 PolarHBondContact O-N 2.92Å; D66-N68 PolarHBondContact O-N 3.06Å |
| 67 | S | 60.5 | Low | 58 | Low | 83 Ų | 83 | 148 Ų | 148 | 58% | 0.58 | 76% | 0.762 | S | S | * | * | | | trans | -89.1 | 61.4 | 174.7 | 60.8 | 0 | 0 | 0 | 0 | 109.4 | E65 D69 | E65-S67 PolarHBondContact O-N 3.25Å; S67-D69 PolarHBondContact O-N 3.49Å |
| 68 | N | 59.8 | Low | 58.7 | Low | 141 Ų | 141 | 147.1 Ų | 147.1 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | | | trans | -80 | 22.6 | 167.8 | -119 | -7.6 | 0 | 0 | 0 | 112.6 | D66 | D66-N68 PolarHBondContact O-N 3.06Š|
| 69 | D | 60.5 | Low | 60 | Low | 157 Ų | 157 | 145 Ų | 145 | 84% | 0.84 | 76% | 0.761 | S | S | * | * | | | trans | -105.2 | 29.1 | -178.9 | -75.8 | -21.4 | 0 | 0 | 0 | 112.8 | S67 | S67-D69 PolarHBondContact O-N 3.49Š|
| 70 | Y | 60.2 | Low | 60.8 | Low | 220 Ų | 220 | 148 Ų | 148 | 86% | 0.863 | 76% | 0.764 | S | S | * | * | | | trans | -124.5 | 55 | 179.7 | -143.7 | -86.8 | 0 | 0 | 0 | 113.6 | | |
| 71 | A | 63.9 | Low | 61.4 | Low | 81 Ų | 81 | 148.5 Ų | 148.5 | 67% | 0.669 | 76% | 0.759 | S | S | * | * | | | trans | -160 | 50.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 72 | F | 60.1 | Low | 62.3 | Low | 189 Ų | 189 | 147.8 Ų | 147.8 | 83% | 0.829 | 75% | 0.754 | S | S | * | * | | | trans | -141.8 | 63.3 | 170.2 | -72.5 | -73.6 | 0 | 0 | 0 | 113.6 | | |
| 73 | L | 64.4 | Low | 62.7 | Low | 178 Ų | 178 | 151.5 Ų | 151.5 | 93% | 0.932 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -142 | 38 | 169.6 | -75.1 | -179.2 | 0 | 0 | 0 | 114.4 | | |
| 74 | N | 59.2 | Low | 63.2 | Low | 149 Ų | 149 | 147.3 Ų | 147.3 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -144.5 | 3.6 | 171.6 | -152.1 | 44.7 | 0 | 0 | 0 | 118.2 | | |
| 75 | E | 58.2 | Low | 63.7 | Low | 178 Ų | 178 | 148 Ų | 148 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -92.4 | -16.1 | -178.8 | -73.6 | -172.1 | 161 | 0 | 0 | 114.7 | Y77 | E75-Y77 VanDerWaalsContact C-N 3.31Å; E75-Y77 PolarHBondContact O-N 3.14Å |
| 76 | T | 69.1 | Low | 64 | Low | 123 Ų | 123 | 146.3 Ų | 146.3 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -75.6 | -17.3 | -172.6 | -44.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 77 | Y | 66.1 | Low | 64.3 | Low | 200 Ų | 200 | 147.3 Ų | 147.3 | 78% | 0.784 | 75% | 0.747 | S | S | * | * | | | trans | -123.1 | 65.3 | -175.1 | -64.9 | -78.9 | 0 | 0 | 0 | 112 | E75 I79 | E75-Y77 VanDerWaalsContact C-N 3.31Å; E75-Y77 PolarHBondContact O-N 3.14Å; Y77-I79 PolarHBondContact O-N 3.22Å |
| 78 | S | 66.9 | Low | 64.2 | Low | 97 Ų | 97 | 149 Ų | 149 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | | | trans | -80.3 | 97.9 | 160.3 | -122.7 | 0 | 0 | 0 | 0 | 109 | H80 | S78-H80 PolarHBondContact O-N 3.01Š|
| 79 | I | 72.2 | Confident | 64.2 | Low | 122 Ų | 122 | 148.8 Ų | 148.8 | 63% | 0.626 | 74% | 0.744 | S | S | * | * | | | trans | -83.6 | 104.1 | 172.6 | -58.2 | 174.4 | 0 | 0 | 0 | 107.6 | Y77 Y81 | Y77-I79 PolarHBondContact O-N 3.22Å; I79-Y81 HydrophobicContact CB-CE2 4.38Å; I79-Y81 HydrophobicContact CG2-CD2 4.04Å; I79-Y81 HydrophobicContact CG2-CE2 3.82Å; I79-Y81 PolarHBondContact O-N 2.83Å |
| 80 | H | 71.8 | Confident | 64.2 | Low | 160 Ų | 160 | 147 Ų | 147 | 74% | 0.741 | 73% | 0.734 | S | S | * | * | | | trans | -73.1 | 96.7 | 172.4 | -66 | -64.7 | 0 | 0 | 0 | 109.9 | S78 S82 | S78-H80 PolarHBondContact O-N 3.01Å; H80-S82 PolarHBondContact O-N 2.98Å |
| 81 | Y | 66.7 | Low | 64.1 | Low | 204 Ų | 204 | 139.5 Ų | 139.5 | 80% | 0.8 | 71% | 0.708 | S | S | * | * | | | trans | -67.6 | 103 | 168 | -82.3 | -86.9 | 0 | 0 | 0 | 109 | I79 E83 | I79-Y81 HydrophobicContact CB-CE2 4.38Å; I79-Y81 HydrophobicContact CG2-CD2 4.04Å; I79-Y81 HydrophobicContact CG2-CE2 3.82Å; I79-Y81 PolarHBondContact O-N 2.83Å; Y81-E83 PolarHBondContact O-N 3.34Å |
| 82 | S | 72.2 | Confident | 63.9 | Low | 108 Ų | 108 | 142 Ų | 142 | 76% | 0.755 | 71% | 0.71 | S | S | * | * | | | trans | -73.3 | 104.7 | 165.2 | -63.8 | 0 | 0 | 0 | 0 | 107.4 | H80 S84 | H80-S82 PolarHBondContact O-N 2.98Å; S82-S84 PolarHBondContact O-N 3.21Å |
| 83 | E | 62.2 | Low | 64 | Low | 177 Ų | 177 | 140 Ų | 140 | 83% | 0.827 | 70% | 0.703 | S | S | * | * | | | trans | -63.3 | 85.6 | 164.8 | -82.3 | -170.8 | 157.6 | 0 | 0 | 108.4 | Y81 K85 | Y81-E83 PolarHBondContact O-N 3.34Å; E83-K85 PolarHBondContact O-N 3.49Å; E83-K85 VanDerWaalsContact O-N 3.07Å |
| 84 | S | 65.8 | Low | 63.9 | Low | 85 Ų | 85 | 137.4 Ų | 137.4 | 59% | 0.594 | 69% | 0.689 | S | S | * | * | | | trans | -69.8 | 107.2 | 167.5 | 66.1 | 0 | 0 | 0 | 0 | 106.7 | S82 L86 | S82-S84 PolarHBondContact O-N 3.21Å; S84-L86 PolarHBondContact O-N 3.28Å |
| 85 | K | 65.6 | Low | 64 | Low | 185 Ų | 185 | 132.6 Ų | 132.6 | 80% | 0.804 | 66% | 0.66 | S | S | * | * | | | trans | -69 | 70.5 | 161.2 | -58.2 | -152.4 | 179.3 | -164.8 | 0 | 107.7 | E83 K87 | E83-K85 PolarHBondContact O-N 3.49Å; E83-K85 VanDerWaalsContact O-N 3.07Å; K85-K87 VanDerWaalsContact C-N 3.34Å; K85-K87 PolarHBondContact O-N 3.08Å |
| 86 | L | 61.5 | Low | 64.4 | Low | 113 Ų | 113 | 128.4 Ų | 128.4 | 59% | 0.592 | 65% | 0.651 | S | S | * | * | | | trans | -57 | 107.9 | 166.1 | -81.7 | 167.3 | 0 | 0 | 0 | 104.9 | S84 D88 | S84-L86 PolarHBondContact O-N 3.28Å; L86-D88 PolarHBondContact O-N 3.14Å |
| 87 | K | 63.4 | Low | 64.4 | Low | 144 Ų | 144 | 126 Ų | 126 | 63% | 0.626 | 65% | 0.651 | S | S | * | * | | | trans | -59.3 | 125.5 | 171 | -64.1 | -176 | 169.1 | -165.2 | 0 | 106.2 | K85 E89 N90 | K85-K87 VanDerWaalsContact C-N 3.34Å; K85-K87 PolarHBondContact O-N 3.08Å; K87-E89 HydrophobicContact CB-CB 4.28Å; K87-E89 HydrophobicContact CB-CG 4.07Å; K87-E89 PolarHBondContact O-N 2.79Å; K87-N90 PolarHBondContact O-N 2.96Å |
| 88 | D | 58.9 | Low | 64.6 | Low | 117 Ų | 117 | 120.3 Ų | 120.3 | 63% | 0.626 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.4 | -19.4 | 179.4 | -76.4 | -34.4 | 0 | 0 | 0 | 113.8 | L86 N90 L91 L92 | L86-D88 PolarHBondContact O-N 3.14Å; D88-N90 PolarHBondContact O-N 3.49Å; D88-L91 PolarHBondContact O-N 3.24Å; D88-L91 VanDerWaalsContact O-N 3.14Å; D88-L92 PolarHBondContact O-N 3.07Å |
| 89 | E | 59.1 | Low | 64.8 | Low | 138 Ų | 138 | 121.6 Ų | 121.6 | 65% | 0.645 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -48 | -39.3 | 171.1 | -54.1 | 172.5 | -151.2 | 0 | 0 | 113.1 | K87 H93 | K87-E89 HydrophobicContact CB-CB 4.28Å; K87-E89 HydrophobicContact CB-CG 4.07Å; K87-E89 PolarHBondContact O-N 2.79Å; E89-H93 PolarHBondContact O-N 2.76Å |
| 90 | N | 59.9 | Low | 64.8 | Low | 119 Ų | 119 | 120.6 Ų | 120.6 | 64% | 0.636 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -80.9 | -30.4 | -179.5 | -107.9 | -24.2 | 0 | 0 | 0 | 113.2 | K87 D88 L94 | K87-N90 PolarHBondContact O-N 2.96Å; D88-N90 PolarHBondContact O-N 3.49Å; N90-L94 PolarHBondContact O-N 2.81Å |
| 91 | L | 59.1 | Low | 64.8 | Low | 63 Ų | 63 | 118.8 Ų | 118.8 | 33% | 0.33 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -65.8 | -45.4 | 173.6 | -79.7 | 164.5 | 0 | 0 | 0 | 109.6 | D88 H93 L94 Y95 | D88-L91 PolarHBondContact O-N 3.24Å; D88-L91 VanDerWaalsContact O-N 3.14Å; L91-H93 PolarHBondContact O-N 3.19Å; L91-L94 WeakPolarHBondContact O-CB 2.97Å; L91-L94 PolarHBondContact O-N 3.48Å; L91-Y95 HydrophobicContact CB-CE2 4.28Å; L91-Y95 HydrophobicContact CD2-CE2 4.13Å; L91-Y95 WeakPolarHBondContact O-CD2 3.39Å; L91-Y95 PolarHBondContact O-N 3.22Å |
| 92 | L | 59 | Low | 65 | Low | 134 Ų | 134 | 111.2 Ų | 111.2 | 70% | 0.702 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -57.6 | -36.2 | 179.6 | -129 | 127.7 | 0 | 0 | 0 | 112.7 | D88 S96 | D88-L92 PolarHBondContact O-N 3.07Å; L92-S96 PolarHBondContact O-N 3.45Å |
| 93 | H | 62.9 | Low | 65 | Low | 146 Ų | 146 | 110.2 Ų | 110.2 | 68% | 0.676 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -73.1 | -29.4 | 177 | -153.5 | -67.6 | 0 | 0 | 0 | 112.9 | E89 L91 Y95 S96 | E89-H93 PolarHBondContact O-N 2.76Å; L91-H93 PolarHBondContact O-N 3.19Å; H93-Y95 VanDerWaalsContact C-N 3.34Å; H93-S96 PolarHBondContact O-N 3.21Å; H93-S96 PolarHBondContact O-OG 3.04Å |
| 94 | L | 62.7 | Low | 65.5 | Low | 124 Ų | 124 | 109.3 Ų | 109.3 | 65% | 0.649 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -69.9 | -31.6 | 176.6 | -169.2 | 65.1 | 0 | 0 | 0 | 112.2 | N90 L91 | N90-L94 PolarHBondContact O-N 2.81Å; L91-L94 WeakPolarHBondContact O-CB 2.97Å; L91-L94 PolarHBondContact O-N 3.48Å |
| 95 | Y | 61.4 | Low | 65.8 | Low | 47 Ų | 47 | 111.9 Ų | 111.9 | 18% | 0.184 | 57% | 0.57 | C | S | . | * | H | α-helix | trans | -83.9 | -11.5 | 179.4 | -64.4 | -72 | 0 | 0 | 0 | 114.3 | L91 H93 G97 L98 V106 F110 | L91-Y95 HydrophobicContact CB-CE2 4.28Å; L91-Y95 HydrophobicContact CD2-CE2 4.13Å; L91-Y95 WeakPolarHBondContact O-CD2 3.39Å; L91-Y95 PolarHBondContact O-N 3.22Å; H93-Y95 VanDerWaalsContact C-N 3.34Å; Y95-G97 PolarHBondContact O-N 3.35Å; Y95-G97 VanDerWaalsContact O-N 3.14Å; Y95-L98 HydrophobicContact CD1-CD1 3.47Å; Y95-L98 VanDerWaalsContact CD1-CD1 3.47Å; Y95-L98 HydrophobicContact CE1-CD1 3.98Å; Y95-L98 HydrophobicContact CG-CD1 4.47Å; Y95-L98 PolarHBondContact O-N 3.37Å; Y95-L98 VanDerWaalsContact O-N 3.08Å; Y95-V106 HydrophobicContact CD1-CG1 4.25Å; Y95-V106 HydrophobicContact CE1-CB 4.13Å; Y95-V106 HydrophobicContact CE1-CG1 3.46Å; Y95-V106 VanDerWaalsContact CE1-CG1 3.46Å; Y95-V106 HydrophobicContact CE1-CG2 4.2Å; Y95-F110 HydrophobicContact CE2-CE2 4.36Å; Y95-F110 WeakPolarHBondContact OH-CE2 3.4Å |
| 96 | S | 66.5 | Low | 66 | Low | 91 Ų | 91 | 104.5 Ų | 104.5 | 64% | 0.636 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -20.1 | -176.7 | 65.2 | 0 | 0 | 0 | 0 | 114.8 | L92 H93 | L92-S96 PolarHBondContact O-N 3.45Å; H93-S96 PolarHBondContact O-N 3.21Å; H93-S96 PolarHBondContact O-OG 3.04Å |
| 97 | G | 69.1 | Low | 66.3 | Low | 73 Ų | 73 | 104.2 Ų | 104.2 | 75% | 0.753 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | 1.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y95 | Y95-G97 PolarHBondContact O-N 3.35Å; Y95-G97 VanDerWaalsContact O-N 3.14Å |
| 98 | L | 68.9 | Low | 66.5 | Low | 79 Ų | 79 | 103.2 Ų | 103.2 | 41% | 0.414 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -90.8 | 143.8 | -175.8 | -71.1 | 172.3 | 0 | 0 | 0 | 112 | Y95 V102 | Y95-L98 HydrophobicContact CD1-CD1 3.47Å; Y95-L98 VanDerWaalsContact CD1-CD1 3.47Å; Y95-L98 HydrophobicContact CE1-CD1 3.98Å; Y95-L98 HydrophobicContact CG-CD1 4.47Å; Y95-L98 PolarHBondContact O-N 3.37Å; Y95-L98 VanDerWaalsContact O-N 3.08Å; L98-V102 HydrophobicContact CB-CB 4.34Å; L98-V102 HydrophobicContact CB-CG1 4.34Å; L98-V102 HydrophobicContact CD1-CG1 4.14Å; L98-V102 HydrophobicContact CD2-CG1 4.18Å; L98-V102 HydrophobicContact CG-CG1 4.46Å |
| 99 | H | 72.9 | Confident | 67.1 | Low | 125 Ų | 125 | 102.6 Ų | 102.6 | 58% | 0.579 | 53% | 0.53 | S | S | * | . | | | trans | -57.8 | 141.6 | 176.1 | -171.4 | -98.7 | 0 | 0 | 0 | 109.9 | E101 V102 H103 | H99-E101 PolarHBondContact O-N 2.97Å; H99-V102 HydrophobicContact CB-CG2 4.31Å; H99-V102 WeakPolarHBondContact O-CA 3.47Å; H99-V102 WeakPolarHBondContact O-CB 3.42Å; H99-V102 PolarHBondContact O-N 3.08Å; H99-H103 PolarHBondContact O-N 3.17Å |
| 100 | P | 71.8 | Confident | 67.5 | Low | 100 Ų | 100 | 100.2 Ų | 100.2 | 65% | 0.649 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -52.2 | -31.1 | -174 | -29.8 | 35.2 | 0 | 0 | 0 | 114.9 | H103 K104 | P100-H103 PolarHBondContact O-N 3.29Å; P100-K104 PolarHBondContact O-N 3.21Å |
| 101 | E | 70.6 | Confident | 67.8 | Low | 122 Ų | 122 | 99.1 Ų | 99.1 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -72.3 | -30.8 | 177.3 | -169.1 | 170 | -177.9 | 0 | 0 | 113.7 | H99 R105 | H99-E101 PolarHBondContact O-N 2.97Å; E101-R105 PolarHBondContact O-N 3.49Å |
| 102 | V | 71.6 | Confident | 68.1 | Low | 45 Ų | 45 | 100 Ų | 100 | 27% | 0.273 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -73.7 | -37.9 | 173.8 | -178.8 | 0 | 0 | 0 | 0 | 109.9 | L98 H99 K104 R105 V106 | L98-V102 HydrophobicContact CB-CB 4.34Å; L98-V102 HydrophobicContact CB-CG1 4.34Å; L98-V102 HydrophobicContact CD1-CG1 4.14Å; L98-V102 HydrophobicContact CD2-CG1 4.18Å; L98-V102 HydrophobicContact CG-CG1 4.46Å; H99-V102 HydrophobicContact CB-CG2 4.31Å; H99-V102 WeakPolarHBondContact O-CA 3.47Å; H99-V102 WeakPolarHBondContact O-CB 3.42Å; H99-V102 PolarHBondContact O-N 3.08Å; V102-K104 PolarHBondContact O-N 3.4Å; V102-R105 PolarHBondContact O-N 3.11Å; V102-V106 HydrophobicContact CG1-CG2 4.43Å; V102-V106 WeakPolarHBondContact O-CG2 3.48Å; V102-V106 PolarHBondContact O-N 3.49Å; V102-V106 VanDerWaalsContact O-N 3.11Å |
| 103 | H | 72 | Confident | 68.3 | Low | 88 Ų | 88 | 98.6 Ų | 98.6 | 41% | 0.407 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.9 | -48.9 | 176.4 | -169 | 57.6 | 0 | 0 | 0 | 111.7 | H99 P100 R105 V106 E107 | H99-H103 PolarHBondContact O-N 3.17Å; P100-H103 PolarHBondContact O-N 3.29Å; H103-R105 VanDerWaalsContact C-N 3.31Å; H103-R105 PolarHBondContact O-N 3.12Å; H103-V106 PolarHBondContact O-N 3.31Å; H103-V106 VanDerWaalsContact O-N 3.12Å; H103-E107 PolarHBondContact O-N 3Å |
| 104 | K | 72.4 | Confident | 68 | Low | 157 Ų | 157 | 96.8 Ų | 96.8 | 68% | 0.683 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.8 | -36.1 | 178.4 | -172.7 | 177 | -179.7 | -179.5 | 0 | 113.6 | P100 V102 M108 | P100-K104 PolarHBondContact O-N 3.21Å; V102-K104 PolarHBondContact O-N 3.4Å; K104-M108 PolarHBondContact O-N 3.29Å |
| 105 | R | 73 | Confident | 67.8 | Low | 140 Ų | 140 | 96.5 Ų | 96.5 | 53% | 0.528 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.7 | -37 | 176.9 | -77.5 | -166.3 | -67.2 | -134.7 | -0.7 | 112.2 | E101 V102 H103 I109 | E101-R105 PolarHBondContact O-N 3.49Å; V102-R105 PolarHBondContact O-N 3.11Å; H103-R105 VanDerWaalsContact C-N 3.31Å; H103-R105 PolarHBondContact O-N 3.12Å; R105-I109 WeakPolarHBondContact O-CD1 3.49Å; R105-I109 WeakPolarHBondContact O-CG1 3.34Å; R105-I109 PolarHBondContact O-N 3.01Å |
| 106 | V | 68.9 | Low | 67.6 | Low | 30 Ų | 30 | 99.6 Ų | 99.6 | 18% | 0.182 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -74.3 | -40.4 | -179.3 | 173.9 | 0 | 0 | 0 | 0 | 111.4 | Y95 V102 H103 M108 I109 F110 | Y95-V106 HydrophobicContact CD1-CG1 4.25Å; Y95-V106 HydrophobicContact CE1-CB 4.13Å; Y95-V106 HydrophobicContact CE1-CG1 3.46Å; Y95-V106 VanDerWaalsContact CE1-CG1 3.46Å; Y95-V106 HydrophobicContact CE1-CG2 4.2Å; V102-V106 HydrophobicContact CG1-CG2 4.43Å; V102-V106 WeakPolarHBondContact O-CG2 3.48Å; V102-V106 PolarHBondContact O-N 3.49Å; V102-V106 VanDerWaalsContact O-N 3.11Å; H103-V106 PolarHBondContact O-N 3.31Å; H103-V106 VanDerWaalsContact O-N 3.12Å; V106-M108 VanDerWaalsContact C-N 3.3Å; V106-M108 PolarHBondContact O-N 3.22Å; V106-I109 WeakPolarHBondContact O-CB 3.2Å; V106-I109 PolarHBondContact O-N 3.49Å; V106-I109 VanDerWaalsContact O-N 3.08Å; V106-F110 HydrophobicContact CG1-CD2 3.62Å; V106-F110 HydrophobicContact CG1-CE2 3.22Å; V106-F110 HydrophobicContact CG1-CZ 4.28Å; V106-F110 WeakPolarHBondContact O-CD2 3.37Å; V106-F110 PolarHBondContact O-N 3.49Å; V106-F110 VanDerWaalsContact O-N 3.17Å |
| 107 | E | 68.8 | Low | 66.8 | Low | 107 Ų | 107 | 98.3 Ų | 98.3 | 50% | 0.5 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -54.7 | -46 | 173.6 | -167.8 | 174.9 | -167.5 | 0 | 0 | 111.4 | H103 I109 F110 D111 | H103-E107 PolarHBondContact O-N 3Å; E107-I109 VanDerWaalsContact C-N 3.3Å; E107-I109 PolarHBondContact O-N 3.3Å; E107-F110 PolarHBondContact O-N 3.38Å; E107-D111 PolarHBondContact O-N 3.03Å |
| 108 | M | 67.8 | Low | 66 | Low | 122 Ų | 122 | 100.5 Ų | 100.5 | 60% | 0.601 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.3 | -30.8 | 177.3 | -169.2 | 177.6 | 73.7 | 0 | 0 | 114 | K104 V106 T112 | K104-M108 PolarHBondContact O-N 3.29Å; V106-M108 VanDerWaalsContact C-N 3.3Å; V106-M108 PolarHBondContact O-N 3.22Å; M108-T112 PolarHBondContact O-N 3.14Å; M108-T112 PolarHBondContact O-OG1 3.02Å |
| 109 | I | 70.2 | Confident | 65.1 | Low | 105 Ų | 105 | 98.7 Ų | 98.7 | 54% | 0.538 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -71.3 | -41.3 | 177.6 | -69 | 161.9 | 0 | 0 | 0 | 110.1 | R105 V106 E107 T112 L113 | R105-I109 WeakPolarHBondContact O-CD1 3.49Å; R105-I109 WeakPolarHBondContact O-CG1 3.34Å; R105-I109 PolarHBondContact O-N 3.01Å; V106-I109 WeakPolarHBondContact O-CB 3.2Å; V106-I109 PolarHBondContact O-N 3.49Å; V106-I109 VanDerWaalsContact O-N 3.08Å; E107-I109 VanDerWaalsContact C-N 3.3Å; E107-I109 PolarHBondContact O-N 3.3Å; I109-T112 PolarHBondContact O-N 3.06Å; I109-L113 PolarHBondContact O-N 3.3Å; I109-L113 VanDerWaalsContact O-N 3.14Å |
| 110 | F | 68.8 | Low | 64.1 | Low | 87 Ų | 87 | 99.3 Ų | 99.3 | 38% | 0.382 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.7 | -41.3 | 177.8 | -71.5 | -63.3 | 0 | 0 | 0 | 112.3 | Y95 V106 E107 T112 L113 D114 | Y95-F110 HydrophobicContact CE2-CE2 4.36Å; Y95-F110 WeakPolarHBondContact OH-CE2 3.4Å; V106-F110 HydrophobicContact CG1-CD2 3.62Å; V106-F110 HydrophobicContact CG1-CE2 3.22Å; V106-F110 HydrophobicContact CG1-CZ 4.28Å; V106-F110 WeakPolarHBondContact O-CD2 3.37Å; V106-F110 PolarHBondContact O-N 3.49Å; V106-F110 VanDerWaalsContact O-N 3.17Å; E107-F110 PolarHBondContact O-N 3.38Å; F110-T112 PolarHBondContact O-N 3.37Å; F110-L113 WeakPolarHBondContact O-CB 3.44Å; F110-L113 PolarHBondContact O-N 3.38Å; F110-D114 PolarHBondContact O-N 2.81Å |
| 111 | D | 65.6 | Low | 62.9 | Low | 97 Ų | 97 | 97.2 Ų | 97.2 | 52% | 0.519 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.7 | -34.1 | 174.8 | -72.8 | -19 | 0 | 0 | 0 | 112.5 | E107 N115 | E107-D111 PolarHBondContact O-N 3.03Å; D111-N115 PolarHBondContact O-ND2 3.14Å |
| 112 | T | 64.7 | Low | 61.8 | Low | 81 Ų | 81 | 101.3 Ų | 101.3 | 50% | 0.497 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -75.2 | -33.5 | 177.7 | -51.5 | 0 | 0 | 0 | 0 | 111.5 | M108 I109 F110 N116 | M108-T112 PolarHBondContact O-N 3.14Å; M108-T112 PolarHBondContact O-OG1 3.02Å; I109-T112 PolarHBondContact O-N 3.06Å; F110-T112 PolarHBondContact O-N 3.37Å; T112-N116 PolarHBondContact O-N 3.37Å |
| 113 | L | 63.3 | Low | 60.6 | Low | 105 Ų | 105 | 103 Ų | 103 | 55% | 0.55 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -71.4 | -41 | 179.8 | -173.5 | 63.9 | 0 | 0 | 0 | 112 | I109 F110 N115 N116 S117 | I109-L113 PolarHBondContact O-N 3.3Å; I109-L113 VanDerWaalsContact O-N 3.14Å; F110-L113 WeakPolarHBondContact O-CB 3.44Å; F110-L113 PolarHBondContact O-N 3.38Å; L113-N115 VanDerWaalsContact C-N 3.34Å; L113-N115 PolarHBondContact O-N 2.99Å; L113-N116 PolarHBondContact O-N 3.5Å; L113-S117 PolarHBondContact O-N 2.79Å |
| 114 | D | 56.8 | Low | 59.3 | Low | 107 Ų | 107 | 102.9 Ų | 102.9 | 57% | 0.572 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.6 | -34.1 | 179.1 | -94.3 | -5 | 0 | 0 | 0 | 113 | F110 N116 S117 I118 | F110-D114 PolarHBondContact O-N 2.81Å; D114-N116 VanDerWaalsContact C-N 3.32Å; D114-N116 PolarHBondContact O-N 3.33Å; D114-S117 PolarHBondContact O-OG 3.45Å; D114-I118 WeakPolarHBondContact O-CD1 3.46Å; D114-I118 WeakPolarHBondContact O-CG1 3.48Å |
| 115 | N | 59.2 | Low | 58 | Low | 118 Ų | 118 | 104 Ų | 104 | 63% | 0.631 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -70 | -29.7 | 175.1 | -74.9 | -55 | 0 | 0 | 0 | 112.7 | D111 L113 | D111-N115 PolarHBondContact O-ND2 3.14Å; L113-N115 VanDerWaalsContact C-N 3.34Å; L113-N115 PolarHBondContact O-N 2.99Å |
| 116 | N | 56.3 | Low | 56.8 | Low | 112 Ų | 112 | 101.4 Ų | 101.4 | 60% | 0.599 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -83.7 | -28.1 | 178.4 | -76.2 | -5.3 | 0 | 0 | 0 | 113.1 | T112 L113 D114 I118 G119 L120 | T112-N116 PolarHBondContact O-N 3.37Å; L113-N116 PolarHBondContact O-N 3.5Å; D114-N116 VanDerWaalsContact C-N 3.32Å; D114-N116 PolarHBondContact O-N 3.33Å; N116-I118 VanDerWaalsContact C-N 3.33Å; N116-I118 PolarHBondContact O-N 3.46Å; N116-G119 PolarHBondContact O-N 3.21Å; N116-L120 PolarHBondContact O-N 3.38Å |
| 117 | S | 51.3 | Low | 55.9 | Low | 65 Ų | 65 | 105.2 Ų | 105.2 | 46% | 0.455 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67.3 | -33.7 | 178.2 | 72.2 | 0 | 0 | 0 | 0 | 112.3 | L113 D114 G119 L120 G121 | L113-S117 PolarHBondContact O-N 2.79Å; D114-S117 PolarHBondContact O-OG 3.45Å; S117-G119 VanDerWaalsContact C-N 3.32Å; S117-G119 PolarHBondContact O-N 3.47Å; S117-L120 PolarHBondContact O-N 3.21Å; S117-G121 PolarHBondContact O-N 3.4Å |
| 118 | I | 52.2 | Low | 54.8 | Low | 118 Ų | 118 | 103.9 Ų | 103.9 | 61% | 0.605 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -67.3 | -31.4 | 175.6 | -62.5 | 164.5 | 0 | 0 | 0 | 111.8 | D114 N116 | D114-I118 WeakPolarHBondContact O-CD1 3.46Å; D114-I118 WeakPolarHBondContact O-CG1 3.48Å; N116-I118 VanDerWaalsContact C-N 3.33Å; N116-I118 PolarHBondContact O-N 3.46Å |
| 119 | G | 48.7 | Very low | 53.9 | Low | 41 Ų | 41 | 102.7 Ų | 102.7 | 42% | 0.423 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -77.6 | -28.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | N116 S117 S123 | N116-G119 PolarHBondContact O-N 3.21Å; S117-G119 VanDerWaalsContact C-N 3.32Å; S117-G119 PolarHBondContact O-N 3.47Å; G119-S123 PolarHBondContact O-OG 3.49Å |
| 120 | L | 52.5 | Low | 52.6 | Low | 139 Ų | 139 | 105.3 Ų | 105.3 | 73% | 0.728 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -77 | -34.3 | -177.2 | -154.9 | 74.2 | 0 | 0 | 0 | 112.4 | N116 S117 R122 S123 | N116-L120 PolarHBondContact O-N 3.38Å; S117-L120 PolarHBondContact O-N 3.21Å; L120-R122 PolarHBondContact O-N 3.45Å; L120-S123 PolarHBondContact O-N 3Å |
| 121 | G | 46.5 | Very low | 51.7 | Low | 56 Ų | 56 | 108 Ų | 108 | 58% | 0.577 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -68.3 | -26.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | S117 | S117-G121 PolarHBondContact O-N 3.4Å |
| 122 | R | 47.3 | Very low | 50.8 | Low | 207 Ų | 207 | 106.2 Ų | 106.2 | 78% | 0.781 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -13.2 | -179.2 | -66.4 | -176.7 | 76.8 | -148.5 | 3.8 | 114.1 | L120 | L120-R122 PolarHBondContact O-N 3.45Š|
| 123 | S | 46.9 | Very low | 49.4 | Very low | 81 Ų | 81 | 109.6 Ų | 109.6 | 57% | 0.566 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -17.4 | -173.4 | -55.7 | 0 | 0 | 0 | 0 | 113.2 | G119 L120 | G119-S123 PolarHBondContact O-OG 3.49Å; L120-S123 PolarHBondContact O-N 3Å |
| 124 | A | 44.9 | Very low | 48.9 | Very low | 86 Ų | 86 | 110.3 Ų | 110.3 | 71% | 0.711 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -21.6 | -179 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 125 | E | 45.2 | Very low | 48.4 | Very low | 179 Ų | 179 | 113.3 Ų | 113.3 | 84% | 0.836 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -14.2 | -177.9 | -66.8 | -175.9 | 140 | 0 | 0 | 113.6 | | |
| 126 | A | 47.8 | Very low | 48.3 | Very low | 87 Ų | 87 | 116.9 Ų | 116.9 | 72% | 0.719 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -97.3 | -7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 127 | S | 50.3 | Low | 48.2 | Very low | 110 Ų | 110 | 115.9 Ų | 115.9 | 77% | 0.769 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -98.3 | 12.5 | -172.9 | -172.6 | 0 | 0 | 0 | 0 | 114.5 | | |
| 128 | G | 43.9 | Very low | 48.4 | Very low | 79 Ų | 79 | 121.1 Ų | 121.1 | 81% | 0.814 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -96.1 | 8.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 129 | A | 50 | Low | 48.7 | Very low | 97 Ų | 97 | 120.7 Ų | 120.7 | 80% | 0.802 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -156.8 | 83.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 130 | D | 43 | Very low | 49.1 | Very low | 159 Ų | 159 | 126 Ų | 126 | 85% | 0.85 | 76% | 0.76 | S | S | * | * | | | | -178.3 | 96.4 | 128.3 | -146.1 | -1.4 | 0 | 0 | 0 | 108.5 | | |
| 131 | C | 50.3 | Low | 49.3 | Very low | 143 Ų | 143 | 128.5 Ų | 128.5 | 97% | 0.966 | 77% | 0.768 | S | S | * | * | | | trans | -110.6 | 88.6 | 170.4 | -156.7 | 0 | 0 | 0 | 0 | 106.8 | | |
| 132 | G | 46.4 | Very low | 50.1 | Low | 61 Ų | 61 | 132 Ų | 132 | 63% | 0.629 | 77% | 0.774 | S | S | * | * | | | trans | 173.3 | 72.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 133 | D | 35.8 | Very low | 51 | Low | 151 Ų | 151 | 126.6 Ų | 126.6 | 81% | 0.807 | 77% | 0.768 | S | S | * | * | | | | -165.6 | 129 | 122.3 | -152.8 | -3.9 | 0 | 0 | 0 | 110.6 | Q135 | D133-Q135 PolarHBondContact O-N 3.28Å; D133-Q135 VanDerWaalsContact O-N 3.16Å |
| 134 | V | 51.2 | Low | 52.3 | Low | 120 Ų | 120 | 130.9 Ų | 130.9 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | trans | -83.2 | 89.6 | 176.9 | 174.6 | 0 | 0 | 0 | 0 | 107 | K136 | V134-K136 HydrophobicContact CG1-CG 4.18Å; V134-K136 PolarHBondContact O-N 3.28Å |
| 135 | Q | 47.7 | Very low | 53.5 | Low | 171 Ų | 171 | 133.9 Ų | 133.9 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | | | trans | -89.6 | 103.3 | 169.4 | -157.4 | 164.9 | -11.3 | 0 | 0 | 109.7 | D133 S137 | D133-Q135 PolarHBondContact O-N 3.28Å; D133-Q135 VanDerWaalsContact O-N 3.16Å; Q135-S137 PolarHBondContact O-N 3.34Å; Q135-S137 VanDerWaalsContact O-N 3.1Å |
| 136 | K | 56.3 | Low | 54.7 | Low | 193 Ų | 193 | 133 Ų | 133 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | | | trans | -68.1 | 100.3 | 172.9 | -48.1 | -173.1 | -176.3 | -171.5 | 0 | 108 | V134 | V134-K136 HydrophobicContact CG1-CG 4.18Å; V134-K136 PolarHBondContact O-N 3.28Å |
| 137 | S | 53.6 | Low | 55.9 | Low | 91 Ų | 91 | 139 Ų | 139 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | | | trans | -99.3 | 119.8 | 164.6 | 54.8 | 0 | 0 | 0 | 0 | 108.4 | Q135 V139 | Q135-S137 PolarHBondContact O-N 3.34Å; Q135-S137 VanDerWaalsContact O-N 3.1Å; S137-V139 PolarHBondContact O-N 3.39Å |
| 138 | D | 55.8 | Low | 56.9 | Low | 175 Ų | 175 | 141 Ų | 141 | 94% | 0.936 | 78% | 0.777 | S | S | * | * | | | trans | -61.1 | 99.8 | 167.1 | -141.5 | 0.3 | 0 | 0 | 0 | 107 | | |
| 139 | V | 58.5 | Low | 58.2 | Low | 109 Ų | 109 | 142.1 Ų | 142.1 | 66% | 0.661 | 77% | 0.771 | S | S | * | * | | | trans | -99 | 106 | 179.5 | 173.1 | 0 | 0 | 0 | 0 | 106.8 | S137 E141 | S137-V139 PolarHBondContact O-N 3.39Å; V139-E141 PolarHBondContact O-N 3.42Å; V139-E141 VanDerWaalsContact O-N 3.08Å |
| 140 | D | 57.5 | Low | 59 | Low | 152 Ų | 152 | 142 Ų | 142 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | | | trans | -51.9 | 109.4 | 171.3 | -151 | 4 | 0 | 0 | 0 | 108.9 | D142 | D140-D142 PolarHBondContact O-N 3.48Š|
| 141 | E | 57.3 | Low | 60 | Low | 192 Ų | 192 | 143.1 Ų | 143.1 | 90% | 0.897 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | 40.6 | -163.1 | -149.9 | 174.2 | -149.5 | 0 | 0 | 112 | V139 | V139-E141 PolarHBondContact O-N 3.42Å; V139-E141 VanDerWaalsContact O-N 3.08Å |
| 142 | D | 63.2 | Low | 60.3 | Low | 129 Ų | 129 | 144 Ų | 144 | 69% | 0.69 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.2 | 19.5 | -177.1 | -141.9 | 12.9 | 0 | 0 | 0 | 114.7 | D140 Q144 | D140-D142 PolarHBondContact O-N 3.48Å; D142-Q144 PolarHBondContact O-N 3.48Å |
| 143 | S | 66.1 | Low | 60.9 | Low | 93 Ų | 93 | 149.1 Ų | 149.1 | 65% | 0.65 | 77% | 0.772 | S | S | * | * | | | trans | -82.1 | 73.7 | 169.8 | -155.5 | 0 | 0 | 0 | 0 | 110.9 | Q145 | S143-Q145 PolarHBondContact O-N 2.99Å; S143-Q145 VanDerWaalsContact O-N 3.08Å; S143-Q145 PolarHBondContact OG-NE2 3Å; S143-Q145 VanDerWaalsContact OG-NE2 3.1Å |
| 144 | Q | 73.8 | Confident | 61.8 | Low | 172 Ų | 172 | 146 Ų | 146 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | | | trans | -64.3 | 101.7 | 165.7 | -65.6 | -90.1 | -29.5 | 0 | 0 | 108.4 | D142 E146 | D142-Q144 PolarHBondContact O-N 3.48Å; Q144-E146 PolarHBondContact O-N 3.14Å |
| 145 | Q | 69.7 | Low | 62.1 | Low | 149 Ų | 149 | 147.6 Ų | 147.6 | 70% | 0.696 | 76% | 0.764 | S | S | * | * | | | trans | -76.8 | 111.9 | 173.6 | -65.3 | -67.4 | -34.4 | 0 | 0 | 109.1 | S143 Y147 | S143-Q145 PolarHBondContact O-N 2.99Å; S143-Q145 VanDerWaalsContact O-N 3.08Å; S143-Q145 PolarHBondContact OG-NE2 3Å; S143-Q145 VanDerWaalsContact OG-NE2 3.1Å; Q145-Y147 PolarHBondContact O-N 2.93Å |
| 146 | E | 70.8 | Confident | 62.3 | Low | 159 Ų | 159 | 143.1 Ų | 143.1 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | | | trans | -70.2 | 114.6 | 176.3 | -171.9 | 169.6 | -163 | 0 | 0 | 110.1 | Q144 H148 | Q144-E146 PolarHBondContact O-N 3.14Å; E146-H148 PolarHBondContact O-N 3.15Å; E146-H148 IonicContact OE2-CE1 3.87Å |
| 147 | Y | 73.3 | Confident | 62.1 | Low | 213 Ų | 213 | 137.7 Ų | 137.7 | 84% | 0.835 | 74% | 0.743 | S | S | * | * | | | trans | -76.6 | 108.6 | 175.3 | -96.4 | -97 | 0 | 0 | 0 | 110.2 | Q145 S149 | Q145-Y147 PolarHBondContact O-N 2.93Å; Y147-S149 PolarHBondContact O-N 3.2Å |
| 148 | H | 71.7 | Confident | 61.9 | Low | 154 Ų | 154 | 139.9 Ų | 139.9 | 71% | 0.713 | 74% | 0.743 | S | S | * | * | | | trans | -85.8 | 100.6 | 165.7 | -63.6 | -47.5 | 0 | 0 | 0 | 109.9 | E146 A150 | E146-H148 PolarHBondContact O-N 3.15Å; E146-H148 IonicContact OE2-CE1 3.87Å; H148-A150 PolarHBondContact O-N 3.21Å; H148-A150 VanDerWaalsContact O-N 3.09Å |
| 149 | S | 70.9 | Confident | 61.4 | Low | 101 Ų | 101 | 137.4 Ų | 137.4 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | | | trans | -67.3 | 102.7 | 167.5 | -62.6 | 0 | 0 | 0 | 0 | 109.3 | Y147 E151 | Y147-S149 PolarHBondContact O-N 3.2Å; S149-E151 PolarHBondContact O-N 3.09Å; S149-E151 VanDerWaalsContact O-N 3.15Å |
| 150 | A | 65.6 | Low | 61 | Low | 94 Ų | 94 | 135.3 Ų | 135.3 | 78% | 0.777 | 72% | 0.723 | S | S | * | * | | | trans | -77.3 | 95 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | H148 L152 | H148-A150 PolarHBondContact O-N 3.21Å; H148-A150 VanDerWaalsContact O-N 3.09Å; A150-L152 PolarHBondContact O-N 3.4Å; A150-L152 VanDerWaalsContact O-N 3.14Å |
| 151 | E | 63.9 | Low | 60.5 | Low | 183 Ų | 183 | 136.4 Ų | 136.4 | 86% | 0.855 | 72% | 0.721 | S | S | * | * | | | trans | -66.2 | 108.9 | 171.7 | -59.2 | -175.5 | -148.9 | 0 | 0 | 109.1 | S149 E153 | S149-E151 PolarHBondContact O-N 3.09Å; S149-E151 VanDerWaalsContact O-N 3.15Å; E151-E153 PolarHBondContact O-N 3.06Å |
| 152 | L | 57.4 | Low | 59.9 | Low | 161 Ų | 161 | 131.9 Ų | 131.9 | 84% | 0.843 | 71% | 0.706 | S | S | * | * | | | trans | -72 | 87.6 | 172.4 | -88.5 | 161.5 | 0 | 0 | 0 | 109.7 | A150 C154 | A150-L152 PolarHBondContact O-N 3.4Å; A150-L152 VanDerWaalsContact O-N 3.14Å; L152-C154 PolarHBondContact O-N 2.78Å |
| 153 | E | 59.1 | Low | 59.2 | Low | 169 Ų | 169 | 130.6 Ų | 130.6 | 79% | 0.79 | 70% | 0.703 | S | S | * | * | | | trans | -73.2 | 79.5 | 165.2 | -167.1 | -178.6 | -172.8 | 0 | 0 | 109.6 | E151 | E151-E153 PolarHBondContact O-N 3.06Š|
| 154 | C | 54.7 | Low | 58.3 | Low | 87 Ų | 87 | 131 Ų | 131 | 59% | 0.588 | 71% | 0.705 | S | S | * | * | | | trans | -114.2 | 40 | -176.6 | -143.9 | 0 | 0 | 0 | 0 | 113.2 | L152 | L152-C154 PolarHBondContact O-N 2.78Š|
| 155 | I | 56.7 | Low | 57 | Low | 152 Ų | 152 | 134 Ų | 134 | 78% | 0.779 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -139.6 | -14.4 | 174.8 | -50.2 | 178.4 | 0 | 0 | 0 | 114.6 | | |
| 156 | S | 53 | Low | 56.2 | Low | 77 Ų | 77 | 131.5 Ų | 131.5 | 54% | 0.538 | 71% | 0.709 | S | S | . | * | S | Bend | trans | -90.3 | -27.9 | -174.8 | -165.7 | 0 | 0 | 0 | 0 | 115.2 | H158 | S156-H158 PolarHBondContact O-N 3.31Š|
| 157 | A | 50.7 | Low | 55.1 | Low | 79 Ų | 79 | 129 Ų | 129 | 65% | 0.653 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -75.4 | -20.9 | -174 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 158 | H | 49.4 | Very low | 53.7 | Low | 137 Ų | 137 | 125.8 Ų | 125.8 | 63% | 0.634 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -87.9 | -23.4 | -178.9 | -62.9 | -50.4 | 0 | 0 | 0 | 113.3 | S156 T162 | S156-H158 PolarHBondContact O-N 3.31Å; H158-T162 PolarHBondContact O-OG1 3.16Å |
| 159 | L | 46.7 | Very low | 52.5 | Low | 124 Ų | 124 | 126.1 Ų | 126.1 | 65% | 0.649 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -76.9 | -35.5 | 177.8 | -166.4 | 67.6 | 0 | 0 | 0 | 111.9 | K161 T162 V163 | L159-K161 VanDerWaalsContact C-N 3.32Å; L159-K161 PolarHBondContact O-N 3.31Å; L159-T162 PolarHBondContact O-N 3.1Å; L159-V163 PolarHBondContact O-N 3.42Å |
| 160 | A | 49.3 | Very low | 51.3 | Low | 64 Ų | 64 | 126.3 Ų | 126.3 | 53% | 0.529 | 71% | 0.709 | S | S | . | * | H | α-helix | trans | -67.2 | -30.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | T162 S164 | A160-T162 VanDerWaalsContact C-N 3.31Å; A160-T162 PolarHBondContact O-N 3.35Å; A160-S164 PolarHBondContact O-OG 3.03Å |
| 161 | K | 46.3 | Very low | 50.5 | Low | 175 Ų | 175 | 126.4 Ų | 126.4 | 76% | 0.761 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -79.3 | -16.1 | -179.2 | -148 | 166.7 | -177.5 | 172.3 | 0 | 113.3 | L159 | L159-K161 VanDerWaalsContact C-N 3.32Å; L159-K161 PolarHBondContact O-N 3.31Å |
| 162 | T | 46.1 | Very low | 49.5 | Very low | 98 Ų | 98 | 127 Ų | 127 | 60% | 0.601 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -93.4 | -32.8 | -179.5 | -42.9 | 0 | 0 | 0 | 0 | 111.7 | H158 L159 A160 S164 R165 | H158-T162 PolarHBondContact O-OG1 3.16Å; L159-T162 PolarHBondContact O-N 3.1Å; A160-T162 VanDerWaalsContact C-N 3.31Å; A160-T162 PolarHBondContact O-N 3.35Å; T162-S164 VanDerWaalsContact C-N 3.35Å; T162-S164 PolarHBondContact O-N 3.08Å; T162-R165 PolarHBondContact O-N 3.1Å |
| 163 | V | 47.6 | Very low | 48.9 | Very low | 101 Ų | 101 | 126.8 Ų | 126.8 | 61% | 0.612 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -70.5 | -28.4 | 175.6 | 173.5 | 0 | 0 | 0 | 0 | 112.7 | L159 R165 | L159-V163 PolarHBondContact O-N 3.42Å; V163-R165 PolarHBondContact O-N 3.19Å; V163-R165 VanDerWaalsContact O-N 3.14Å |
| 164 | S | 47.6 | Very low | 48.3 | Very low | 101 Ų | 101 | 128 Ų | 128 | 71% | 0.706 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -2.4 | 179.9 | -59.3 | 0 | 0 | 0 | 0 | 114.5 | A160 T162 | A160-S164 PolarHBondContact O-OG 3.03Å; T162-S164 VanDerWaalsContact C-N 3.35Å; T162-S164 PolarHBondContact O-N 3.08Å |
| 165 | R | 46.4 | Very low | 47.9 | Very low | 235 Ų | 235 | 130.4 Ų | 130.4 | 89% | 0.887 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.7 | -3.7 | -177.4 | -114 | 177.5 | 153.9 | 176.6 | -7.4 | 114.8 | T162 V163 | T162-R165 PolarHBondContact O-N 3.1Å; V163-R165 PolarHBondContact O-N 3.19Å; V163-R165 VanDerWaalsContact O-N 3.14Å |
| 166 | S | 52 | Low | 47.4 | Very low | 98 Ų | 98 | 128.9 Ų | 128.9 | 69% | 0.685 | 72% | 0.724 | S | S | * | * | | | trans | -115.1 | 25.4 | -177.2 | 71.8 | 0 | 0 | 0 | 0 | 114.4 | L168 | S166-L168 PolarHBondContact O-N 3.03Š|
| 167 | S | 48.8 | Very low | 46.9 | Very low | 106 Ų | 106 | 134.3 Ų | 134.3 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -92.1 | 99.8 | 167.6 | 77.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 168 | L | 43.8 | Very low | 46.8 | Very low | 145 Ų | 145 | 137.1 Ų | 137.1 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | | | trans | 73.6 | 81.2 | 137.5 | -143.6 | 87.1 | 0 | 0 | 0 | 117.7 | S166 V170 | S166-L168 PolarHBondContact O-N 3.03Å; L168-V170 HydrophobicContact CD1-CG2 4.26Å; L168-V170 HydrophobicContact CD2-CG2 3.41Å; L168-V170 VanDerWaalsContact CD2-CG2 3.41Å; L168-V170 HydrophobicContact CG-CG2 3.47Å; L168-V170 VanDerWaalsContact CG-CG2 3.47Å; L168-V170 PolarHBondContact O-N 2.98Å |
| 169 | D | 45.9 | Very low | 46.6 | Very low | 161 Ų | 161 | 137.1 Ų | 137.1 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | | | trans | -83.7 | 97.4 | 152.5 | -164.5 | 13.1 | 0 | 0 | 0 | 107.7 | | |
| 170 | V | 46.9 | Very low | 46.6 | Very low | 105 Ų | 105 | 137.8 Ų | 137.8 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | | | trans | -88.9 | 114.5 | 171.6 | -177.3 | 0 | 0 | 0 | 0 | 107.8 | L168 E172 | L168-V170 HydrophobicContact CD1-CG2 4.26Å; L168-V170 HydrophobicContact CD2-CG2 3.41Å; L168-V170 VanDerWaalsContact CD2-CG2 3.41Å; L168-V170 HydrophobicContact CG-CG2 3.47Å; L168-V170 VanDerWaalsContact CG-CG2 3.47Å; L168-V170 PolarHBondContact O-N 2.98Å; V170-E172 PolarHBondContact O-N 3.04Å |
| 171 | S | 47.6 | Very low | 46.4 | Very low | 96 Ų | 96 | 142.2 Ų | 142.2 | 67% | 0.671 | 80% | 0.796 | S | S | * | * | | | trans | -63.4 | 112.5 | 176 | -36.1 | 0 | 0 | 0 | 0 | 110.9 | L173 | S171-L173 PolarHBondContact O-N 3.08Š|
| 172 | E | 43.1 | Very low | 46.5 | Very low | 196 Ų | 196 | 140.1 Ų | 140.1 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | | | trans | -87.1 | 94 | 166.1 | -154.8 | 176.7 | -175.2 | 0 | 0 | 108.9 | V170 K174 | V170-E172 PolarHBondContact O-N 3.04Å; E172-K174 PolarHBondContact O-N 3.06Å |
| 173 | L | 44.5 | Very low | 46.5 | Very low | 157 Ų | 157 | 142.9 Ų | 142.9 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | | | trans | -71.5 | 113.8 | 171.8 | -109.3 | 114.1 | 0 | 0 | 0 | 109.6 | S171 | S171-L173 PolarHBondContact O-N 3.08Š|
| 174 | K | 47 | Very low | 46.4 | Very low | 193 Ų | 193 | 145.9 Ų | 145.9 | 84% | 0.839 | 83% | 0.825 | S | S | * | * | | | trans | -57.5 | 135.7 | 164 | -81.6 | -177.9 | 171.2 | 178.4 | 0 | 110.9 | E172 | E172-K174 PolarHBondContact O-N 3.06Š|
| 175 | T | 47.5 | Very low | 46.3 | Very low | 138 Ų | 138 | 149.4 Ų | 149.4 | 85% | 0.847 | 83% | 0.834 | S | S | * | * | | | trans | -140.3 | 130 | 135.9 | 50.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 176 | S | 45.7 | Very low | 46.3 | Very low | 121 Ų | 121 | 142.3 Ų | 142.3 | 85% | 0.846 | 83% | 0.83 | S | S | * | * | | | trans | -76.8 | 139.4 | 165.9 | -62.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 177 | S | 42.9 | Very low | 45.8 | Very low | 191 Ų | 191 | 146.3 Ų | 146.3 | 100% | 1.336 | 84% | 0.843 | S | S | * | * | | | trans | -161.7 | 0 | 133.5 | -167 | 0 | 0 | 0 | 0 | 110.9 | | |