| 1 | M | 41.4 | Very low | 48.8 | Very low | 244 Ų | 244 | 175.4 Ų | 175.4 | 100% | 1.202 | 86% | 0.862 | S | S | * | * | | | | 0 | 120.7 | 0 | -88.3 | 172.1 | 155.6 | 0 | 0 | 108.8 | | |
| 2 | R | 45.2 | Very low | 48.4 | Very low | 242 Ų | 242 | 177.8 Ų | 177.8 | 91% | 0.913 | 86% | 0.864 | S | S | * | * | | | trans | -92.9 | 114.7 | 173.5 | -99.7 | 179.7 | 170.3 | 118.4 | -2.8 | 108.6 | R4 | R2-R4 PolarHBondContact O-N 3.43Š|
| 3 | L | 47.9 | Very low | 47.7 | Very low | 170 Ų | 170 | 173.7 Ų | 173.7 | 89% | 0.89 | 86% | 0.857 | S | S | * | * | | | trans | -68.6 | 111.5 | 172.6 | -118.7 | 87.9 | 0 | 0 | 0 | 108.7 | | |
| 4 | R | 60.8 | Low | 47 | Very low | 238 Ų | 238 | 176 Ų | 176 | 90% | 0.898 | 86% | 0.86 | S | S | * | * | | | trans | -92.8 | 94.3 | 167.8 | -72.4 | -174.4 | 171 | -179.4 | -2.3 | 108 | R2 S6 | R2-R4 PolarHBondContact O-N 3.43Å; R4-S6 PolarHBondContact O-N 3.06Å; R4-S6 VanDerWaalsContact O-N 3.15Å |
| 5 | S | 45.8 | Very low | 46.5 | Very low | 102 Ų | 102 | 177.7 Ų | 177.7 | 71% | 0.713 | 86% | 0.861 | S | S | * | * | | | trans | -70.4 | 104.3 | 169.6 | 47.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 6 | S | 56.3 | Low | 45.9 | Very low | 105 Ų | 105 | 174.2 Ų | 174.2 | 73% | 0.734 | 86% | 0.859 | S | S | * | * | | | trans | -87.1 | 104 | 174.9 | -176.5 | 0 | 0 | 0 | 0 | 109.6 | R4 R8 | R4-S6 PolarHBondContact O-N 3.06Å; R4-S6 VanDerWaalsContact O-N 3.15Å; S6-R8 PolarHBondContact O-N 2.92Å |
| 7 | I | 48.1 | Very low | 45.2 | Very low | 158 Ų | 158 | 173.1 Ų | 173.1 | 81% | 0.81 | 86% | 0.856 | S | S | * | * | | | trans | -81.7 | 99.8 | 174.8 | -59.9 | 169.5 | 0 | 0 | 0 | 107.4 | R9 | I7-R9 PolarHBondContact O-N 2.89Š|
| 8 | R | 48.9 | Very low | 44.7 | Very low | 231 Ų | 231 | 174.4 Ų | 174.4 | 87% | 0.872 | 86% | 0.86 | S | S | * | * | | | trans | -72.2 | 110.5 | 171.3 | -72.1 | -172.5 | -139.7 | -157.4 | 4.5 | 109.1 | S6 A10 | S6-R8 PolarHBondContact O-N 2.92Å; R8-A10 PolarHBondContact O-N 3.09Å |
| 9 | R | 47.4 | Very low | 43.8 | Very low | 232 Ų | 232 | 173.6 Ų | 173.6 | 88% | 0.875 | 85% | 0.854 | S | S | * | * | | | trans | -70.5 | 111.1 | 170.6 | -145 | 177.6 | -151.9 | 174.4 | 5.9 | 108.3 | I7 S11 | I7-R9 PolarHBondContact O-N 2.89Å; R9-S11 PolarHBondContact O-N 3.34Å |
| 10 | A | 45 | Very low | 43.4 | Very low | 101 Ų | 101 | 169.9 Ų | 169.9 | 84% | 0.835 | 85% | 0.845 | S | S | * | * | | | trans | -73.8 | 102.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | R8 K12 | R8-A10 PolarHBondContact O-N 3.09Å; A10-K12 PolarHBondContact O-N 3.01Å |
| 11 | S | 49.7 | Very low | 43.1 | Very low | 106 Ų | 106 | 168.7 Ų | 168.7 | 74% | 0.741 | 84% | 0.842 | S | S | * | * | | | trans | -81.1 | 98.2 | 173.3 | -56.5 | 0 | 0 | 0 | 0 | 109 | R9 T13 | R9-S11 PolarHBondContact O-N 3.34Å; S11-T13 PolarHBondContact O-N 3.18Å |
| 12 | K | 44.4 | Very low | 42.9 | Very low | 204 Ų | 204 | 165.2 Ų | 165.2 | 89% | 0.887 | 83% | 0.829 | S | S | * | * | | | trans | -76.9 | 115.4 | 173 | -160 | 167.7 | -176.4 | 175.6 | 0 | 108.7 | A10 | A10-K12 PolarHBondContact O-N 3.01Š|
| 13 | T | 39.7 | Very low | 42.6 | Very low | 125 Ų | 125 | 160.5 Ų | 160.5 | 77% | 0.767 | 83% | 0.826 | S | S | * | * | | | trans | -78.1 | 128.7 | -178.5 | 39.2 | 0 | 0 | 0 | 0 | 110.9 | S11 | S11-T13 PolarHBondContact O-N 3.18Š|
| 14 | F | 37 | Very low | 42.1 | Very low | 206 Ų | 206 | 161.9 Ų | 161.9 | 90% | 0.904 | 83% | 0.825 | S | S | * | * | | | trans | -97.4 | 119.2 | 166.7 | -113.7 | -97 | 0 | 0 | 0 | 108.5 | C16 | F14-C16 PolarHBondContact O-N 3.19Š|
| 15 | K | 39.8 | Very low | 41 | Very low | 201 Ų | 201 | 155.9 Ų | 155.9 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | | | trans | -80.2 | 106.3 | 169.1 | -72.8 | -90.1 | -174 | 172.1 | 0 | 107 | L17 | K15-L17 PolarHBondContact O-N 3.25Š|
| 16 | C | 37.9 | Very low | 40.8 | Very low | 122 Ų | 122 | 160.6 Ų | 160.6 | 82% | 0.824 | 83% | 0.827 | S | S | * | * | | | trans | -78.4 | 115.4 | 171 | -149.7 | 0 | 0 | 0 | 0 | 107.6 | F14 Q18 | F14-C16 PolarHBondContact O-N 3.19Å; C16-Q18 PolarHBondContact O-N 3.07Å |
| 17 | L | 34.2 | Very low | 39.8 | Very low | 156 Ų | 156 | 161.4 Ų | 161.4 | 82% | 0.817 | 83% | 0.83 | S | S | * | * | | | trans | -69.9 | 107.6 | 171.3 | -150.6 | 80.8 | 0 | 0 | 0 | 106.7 | K15 E19 | K15-L17 PolarHBondContact O-N 3.25Å; L17-E19 PolarHBondContact O-N 3.08Å |
| 18 | Q | 35.1 | Very low | 38.8 | Very low | 196 Ų | 196 | 159.5 Ų | 159.5 | 92% | 0.916 | 83% | 0.829 | S | S | * | * | | | trans | -93.9 | 91.1 | -176.4 | -170.5 | 168.5 | 7.1 | 0 | 0 | 108.3 | C16 | C16-Q18 PolarHBondContact O-N 3.07Š|
| 19 | E | 28.6 | Very low | 38.1 | Very low | 160 Ų | 160 | 154.7 Ų | 154.7 | 75% | 0.748 | 83% | 0.825 | S | S | * | * | | | trans | -125.7 | 104.5 | 177.6 | -169.6 | 169.2 | -157.3 | 0 | 0 | 107.7 | L17 | L17-E19 PolarHBondContact O-N 3.08Š|
| 20 | S | 35.6 | Very low | 37.2 | Very low | 98 Ų | 98 | 150 Ų | 150 | 69% | 0.685 | 82% | 0.823 | S | S | * | * | | | trans | 170.8 | 118.5 | 147.2 | 37 | 0 | 0 | 0 | 0 | 112.8 | | |
| 21 | N | 36.4 | Very low | 36.8 | Very low | 145 Ų | 145 | 150.4 Ų | 150.4 | 78% | 0.775 | 82% | 0.819 | S | S | * | * | | | | 68.3 | 106.4 | 127.7 | -53.4 | -34.1 | 0 | 0 | 0 | 118.9 | V23 | N21-V23 PolarHBondContact O-N 3.39Š|
| 22 | D | 37 | Very low | 35.9 | Very low | 172 Ų | 172 | 148.5 Ų | 148.5 | 92% | 0.92 | 82% | 0.816 | S | S | * | * | | | trans | -48.2 | 95.8 | 162.9 | -67.1 | -54.1 | 0 | 0 | 0 | 112.1 | K24 | D22-K24 PolarHBondContact O-N 3.27Š|
| 23 | V | 40.5 | Very low | 35.2 | Very low | 142 Ų | 142 | 147 Ų | 147 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | | | trans | -80.3 | 102.3 | 169.9 | -179.5 | 0 | 0 | 0 | 0 | 108.5 | N21 S25 | N21-V23 PolarHBondContact O-N 3.39Å; V23-S25 PolarHBondContact O-N 3.05Å |
| 24 | K | 36.1 | Very low | 34.9 | Very low | 199 Ų | 199 | 147.4 Ų | 147.4 | 87% | 0.865 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 118 | 175.1 | -156.9 | 169.2 | -173.2 | 173.2 | 0 | 111 | D22 | D22-K24 PolarHBondContact O-N 3.27Š|
| 25 | S | 38.3 | Very low | 34.6 | Very low | 112 Ų | 112 | 142.9 Ų | 142.9 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 137.3 | 176.6 | 46.5 | 0 | 0 | 0 | 0 | 111.8 | V23 | V23-S25 PolarHBondContact O-N 3.05Š|
| 26 | K | 40.6 | Very low | 34.1 | Very low | 202 Ų | 202 | 143.6 Ų | 143.6 | 88% | 0.878 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 144.6 | 166.6 | -75.8 | -155.2 | 176.4 | -175.4 | 0 | 110.8 | | |
| 27 | P | 35.5 | Very low | 34 | Very low | 122 Ų | 122 | 145.8 Ų | 145.8 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 152 | -172 | -6.7 | 25.4 | 0 | 0 | 0 | 113.2 | | |
| 28 | C | 28.2 | Very low | 33.8 | Very low | 117 Ų | 117 | 146.4 Ų | 146.4 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 135.5 | 176 | -149.3 | 0 | 0 | 0 | 0 | 112.8 | | |
| 29 | V | 32.5 | Very low | 34 | Very low | 130 Ų | 130 | 145 Ų | 145 | 79% | 0.788 | 80% | 0.797 | S | S | * | * | | | trans | -113.9 | 109.7 | 166.4 | 179.5 | 0 | 0 | 0 | 0 | 108.2 | | |
| 30 | T | 29.8 | Very low | 34.5 | Very low | 135 Ų | 135 | 146.7 Ų | 146.7 | 83% | 0.828 | 80% | 0.797 | S | S | * | * | | | trans | -96.7 | 113.2 | 172.9 | -53.7 | 0 | 0 | 0 | 0 | 108.8 | | |
| 31 | S | 35.9 | Very low | 34.5 | Very low | 109 Ų | 109 | 150 Ų | 150 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | | | trans | -165.7 | 136.7 | 164.5 | 62.2 | 0 | 0 | 0 | 0 | 106.9 | | |
| 32 | G | 30.1 | Very low | 34.7 | Very low | 65 Ų | 65 | 150.6 Ų | 150.6 | 67% | 0.67 | 81% | 0.808 | S | S | * | * | | | cis | 177.7 | 132.6 | 2.5 | 0 | 0 | 0 | 0 | 0 | 103.7 | V34 | G32-V34 PolarHBondContact O-N 3.4Š|
| 33 | N | 30.7 | Very low | 34.6 | Very low | 172 Ų | 172 | 148.4 Ų | 148.4 | 92% | 0.92 | 81% | 0.805 | S | S | * | * | | | trans | -68 | 120.7 | 179.8 | -81.8 | -62.1 | 0 | 0 | 0 | 110.1 | | |
| 34 | V | 32.9 | Very low | 34.3 | Very low | 135 Ų | 135 | 149.8 Ų | 149.8 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -117.6 | 110 | 169.8 | -178.3 | 0 | 0 | 0 | 0 | 109.2 | G32 | G32-V34 PolarHBondContact O-N 3.4Š|
| 35 | P | 31.7 | Very low | 34.5 | Very low | 111 Ų | 111 | 145.8 Ų | 145.8 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | | | trans | -93.1 | 130.6 | 170.6 | 31.6 | -25.9 | 0 | 0 | 0 | 110.1 | | |
| 36 | R | 29.1 | Very low | 34.5 | Very low | 216 Ų | 216 | 147.4 Ų | 147.4 | 82% | 0.815 | 80% | 0.796 | S | S | * | * | | | trans | -168 | 127.2 | 157.2 | -107.9 | 175.2 | -175.1 | 168.9 | 4 | 114.8 | | |
| 37 | K | 34.3 | Very low | 34.5 | Very low | 168 Ų | 168 | 142.9 Ų | 142.9 | 73% | 0.73 | 79% | 0.788 | S | S | * | * | | | trans | 80.4 | 93.4 | 135.4 | -70.9 | 175.1 | -178.1 | -164.7 | 0 | 120.9 | | |
| 38 | I | 31 | Very low | 34.8 | Very low | 168 Ų | 168 | 145.4 Ų | 145.4 | 86% | 0.862 | 79% | 0.793 | S | S | * | * | | | | 10.9 | 121.7 | 119.4 | -54.7 | 163.1 | 0 | 0 | 0 | 116.2 | | |
| 39 | K | 39.5 | Very low | 35.7 | Very low | 168 Ų | 168 | 146.4 Ų | 146.4 | 73% | 0.73 | 79% | 0.789 | S | S | * | * | | | trans | -149.2 | 120.7 | 153 | -108.3 | -178.7 | -178.7 | 172.9 | 0 | 112.4 | | |
| 40 | R | 37.8 | Very low | 36.4 | Very low | 194 Ų | 194 | 145.8 Ų | 145.8 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | | | trans | 73.2 | 95.5 | 141.9 | -64.9 | 175.4 | -178.3 | 156.3 | -4.1 | 119 | I42 | R40-I42 PolarHBondContact O-N 2.94Š|
| 41 | N | 36.6 | Very low | 37.1 | Very low | 167 Ų | 167 | 148.7 Ų | 148.7 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | | | trans | -63.2 | 117.2 | 149.3 | -56.9 | -36.8 | 0 | 0 | 0 | 109 | | |
| 42 | I | 41.3 | Very low | 37.3 | Very low | 159 Ų | 159 | 150.3 Ų | 150.3 | 82% | 0.815 | 79% | 0.79 | S | S | * | * | | | trans | -108.1 | 109.1 | 158.8 | -61.6 | 174.9 | 0 | 0 | 0 | 104.8 | R40 | R40-I42 PolarHBondContact O-N 2.94Š|
| 43 | C | 33.2 | Very low | 38.1 | Very low | 125 Ų | 125 | 153 Ų | 153 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | | | trans | -83.5 | 108.5 | -178.9 | -155.2 | 0 | 0 | 0 | 0 | 107.1 | | |
| 44 | E | 36 | Very low | 38.7 | Very low | 171 Ų | 171 | 150.4 Ų | 150.4 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 141.6 | 169.8 | -134.6 | -172 | 172.2 | 0 | 0 | 109.3 | N46 | E44-N46 PolarHBondContact O-N 3.02Š|
| 45 | P | 39.9 | Very low | 39 | Very low | 115 Ų | 115 | 149 Ų | 149 | 75% | 0.747 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 127.5 | -173.7 | -9.1 | 25.5 | 0 | 0 | 0 | 111.3 | P47 | P45-P47 WeakPolarHBondContact O-CD 3.38Š|
| 46 | N | 37.2 | Very low | 39.5 | Very low | 147 Ų | 147 | 148.9 Ų | 148.9 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 125.9 | 170.6 | -77.4 | -49.3 | 0 | 0 | 0 | 110.9 | E44 L48 | E44-N46 PolarHBondContact O-N 3.02Å; N46-L48 PolarHBondContact O-N 2.99Å; N46-L48 VanDerWaalsContact O-N 3.15Å |
| 47 | P | 41.1 | Very low | 40.1 | Very low | 107 Ų | 107 | 149.3 Ų | 149.3 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | | | trans | -66.4 | 112.9 | 164.3 | -13.3 | 27.8 | 0 | 0 | 0 | 108.9 | P45 I49 | P45-P47 WeakPolarHBondContact O-CD 3.38Å; P47-I49 HydrophobicContact CB-CG1 4.35Å; P47-I49 PolarHBondContact O-N 2.94Å |
| 48 | L | 42.5 | Very low | 40.5 | Very low | 174 Ų | 174 | 149.6 Ų | 149.6 | 91% | 0.911 | 78% | 0.784 | S | S | * | * | | | trans | -64.1 | 97.9 | 164.5 | -101.7 | 87.6 | 0 | 0 | 0 | 108 | N46 | N46-L48 PolarHBondContact O-N 2.99Å; N46-L48 VanDerWaalsContact O-N 3.15Å |
| 49 | I | 47 | Very low | 41.1 | Very low | 138 Ų | 138 | 149 Ų | 149 | 71% | 0.708 | 78% | 0.783 | S | S | * | * | | | trans | -111.6 | 129.7 | 165.7 | -58.5 | 179.2 | 0 | 0 | 0 | 108.1 | P47 K51 | P47-I49 HydrophobicContact CB-CG1 4.35Å; P47-I49 PolarHBondContact O-N 2.94Å; I49-K51 PolarHBondContact O-N 2.82Å |
| 50 | P | 45.8 | Very low | 41.1 | Very low | 118 Ų | 118 | 147.3 Ų | 147.3 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | | | trans | -58.3 | 126.5 | -169.3 | -22.8 | 32.1 | 0 | 0 | 0 | 112.9 | N52 | P50-N52 PolarHBondContact O-N 2.89Š|
| 51 | K | 45.3 | Very low | 41.3 | Very low | 195 Ų | 195 | 143.1 Ų | 143.1 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -65.3 | 102.7 | 161.1 | -66 | -178.5 | 178.7 | 179.3 | 0 | 107 | I49 | I49-K51 PolarHBondContact O-N 2.82Š|
| 52 | N | 39.5 | Very low | 41.6 | Very low | 144 Ų | 144 | 140.1 Ų | 140.1 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | | | trans | 155.2 | 98.7 | 142.4 | -73.8 | -28.7 | 0 | 0 | 0 | 109.4 | P50 | P50-N52 PolarHBondContact O-N 2.89Š|
| 53 | P | 47.4 | Very low | 41.5 | Very low | 120 Ų | 120 | 137.8 Ų | 137.8 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | | | trans | -63.3 | 144.5 | 161.2 | 26.8 | -31.6 | 0 | 0 | 0 | 109.5 | S55 | P53-S55 PolarHBondContact O-N 3Š|
| 54 | P | 43.5 | Very low | 41.8 | Very low | 118 Ų | 118 | 142.7 Ų | 142.7 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | | | trans | -56.2 | 126.8 | 176.5 | 19.7 | -29.6 | 0 | 0 | 0 | 110.7 | V56 | P54-V56 PolarHBondContact O-N 3.32Š|
| 55 | S | 40.2 | Very low | 42 | Very low | 107 Ų | 107 | 145.6 Ų | 145.6 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | | | trans | -67 | 89 | 176.1 | -173.6 | 0 | 0 | 0 | 0 | 109.9 | P53 R57 | P53-S55 PolarHBondContact O-N 3Å; S55-R57 PolarHBondContact O-N 3.42Å |
| 56 | V | 41.5 | Very low | 42.4 | Very low | 108 Ų | 108 | 146.3 Ų | 146.3 | 66% | 0.655 | 79% | 0.789 | S | S | * | * | | | trans | -92.1 | 95.5 | 169 | -171.4 | 0 | 0 | 0 | 0 | 107.7 | P54 K58 | P54-V56 PolarHBondContact O-N 3.32Å; V56-K58 HydrophobicContact CG1-CG 4.24Å; V56-K58 PolarHBondContact O-N 2.78Å |
| 57 | R | 41.6 | Very low | 42.9 | Very low | 224 Ų | 224 | 146.4 Ų | 146.4 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | | | trans | -64.9 | 92.3 | 170.4 | -66 | -172.4 | -176.6 | -170.2 | 1.9 | 109 | S55 | S55-R57 PolarHBondContact O-N 3.42Š|
| 58 | K | 42.5 | Very low | 43.1 | Very low | 174 Ų | 174 | 151 Ų | 151 | 76% | 0.757 | 80% | 0.798 | S | S | * | * | | | trans | -87.1 | 114.8 | 162.1 | -73 | -173.8 | 178.8 | 179.7 | 0 | 107.6 | V56 V60 | V56-K58 HydrophobicContact CG1-CG 4.24Å; V56-K58 PolarHBondContact O-N 2.78Å; K58-V60 VanDerWaalsContact C-N 3.26Å; K58-V60 PolarHBondContact O-N 2.81Å |
| 59 | N | 42.8 | Very low | 43 | Very low | 157 Ų | 157 | 151 Ų | 151 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | | | trans | -61.5 | 88.9 | 169.8 | -64.8 | -34.3 | 0 | 0 | 0 | 108.2 | S61 | N59-S61 PolarHBondContact O-N 2.72Š|
| 60 | V | 41.1 | Very low | 43 | Very low | 132 Ų | 132 | 153.4 Ų | 153.4 | 80% | 0.8 | 80% | 0.799 | S | S | * | * | | | trans | -79.5 | 102.1 | 170 | -177.9 | 0 | 0 | 0 | 0 | 105.9 | K58 A62 | K58-V60 VanDerWaalsContact C-N 3.26Å; K58-V60 PolarHBondContact O-N 2.81Å; V60-A62 PolarHBondContact O-N 2.8Å |
| 61 | S | 41.2 | Very low | 42.8 | Very low | 105 Ų | 105 | 157 Ų | 157 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | | | trans | -45.2 | 127.7 | 173.9 | -64.3 | 0 | 0 | 0 | 0 | 109.9 | N59 S63 | N59-S61 PolarHBondContact O-N 2.72Å; S61-S63 VanDerWaalsContact C-N 3.33Å; S61-S63 PolarHBondContact O-N 3.03Å |
| 62 | A | 42.3 | Very low | 42.7 | Very low | 104 Ų | 104 | 153 Ų | 153 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | | | trans | -59.1 | 95.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | V60 R64 | V60-A62 PolarHBondContact O-N 2.8Å; A62-R64 PolarHBondContact O-N 3.22Å |
| 63 | S | 39.2 | Very low | 42.9 | Very low | 111 Ų | 111 | 150.7 Ų | 150.7 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | | | trans | -59.5 | 115.8 | 171 | -178.5 | 0 | 0 | 0 | 0 | 107.4 | S61 R65 | S61-S63 VanDerWaalsContact C-N 3.33Å; S61-S63 PolarHBondContact O-N 3.03Å; S63-R65 PolarHBondContact O-N 3.43Å; S63-R65 VanDerWaalsContact O-N 3.09Å |
| 64 | R | 41.2 | Very low | 43 | Very low | 227 Ų | 227 | 151.4 Ų | 151.4 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | | | trans | -43.2 | 117.1 | 176 | -170.3 | 179.1 | -169.1 | -170.4 | 3.4 | 108.2 | A62 V66 | A62-R64 PolarHBondContact O-N 3.22Å; R64-V66 VanDerWaalsContact C-N 3.33Å; R64-V66 PolarHBondContact O-N 3Å |
| 65 | R | 40.3 | Very low | 43.3 | Very low | 233 Ų | 233 | 152 Ų | 152 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | | | trans | -57.1 | 101 | 173.3 | -75.8 | -178.8 | 178 | -179.6 | -0.4 | 107.1 | S63 N67 | S63-R65 PolarHBondContact O-N 3.43Å; S63-R65 VanDerWaalsContact O-N 3.09Å; R65-N67 PolarHBondContact O-N 3.12Å |
| 66 | V | 46.5 | Very low | 43.8 | Very low | 129 Ų | 129 | 152.4 Ų | 152.4 | 78% | 0.782 | 79% | 0.791 | S | S | * | * | | | trans | -65.7 | 117 | 165.3 | -157.2 | 0 | 0 | 0 | 0 | 104 | R64 K68 | R64-V66 VanDerWaalsContact C-N 3.33Å; R64-V66 PolarHBondContact O-N 3Å; V66-K68 PolarHBondContact O-N 3.23Å |
| 67 | N | 49.2 | Very low | 44.6 | Very low | 149 Ų | 149 | 153.5 Ų | 153.5 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | | | trans | -50.1 | 121.8 | 176.5 | -71.8 | -42.1 | 0 | 0 | 0 | 107.1 | R65 E69 | R65-N67 PolarHBondContact O-N 3.12Å; N67-E69 PolarHBondContact O-N 3.45Å |
| 68 | K | 44 | Very low | 45.5 | Very low | 204 Ų | 204 | 146.4 Ų | 146.4 | 89% | 0.887 | 77% | 0.767 | S | S | * | * | | | trans | -59.5 | 96.6 | 170.7 | -73.8 | -171 | 176.8 | -173.5 | 0 | 106.1 | V66 K70 | V66-K68 PolarHBondContact O-N 3.23Å; K68-K70 PolarHBondContact O-N 3.14Å; K68-K70 VanDerWaalsContact O-N 3.1Å |
| 69 | E | 42.2 | Very low | 46.5 | Very low | 174 Ų | 174 | 142.8 Ų | 142.8 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | | | trans | -53.2 | 119.6 | 169.4 | -162 | 168.9 | -163.7 | 0 | 0 | 105.3 | N67 Q71 | N67-E69 PolarHBondContact O-N 3.45Å; E69-Q71 PolarHBondContact O-N 2.87Å |
| 70 | K | 45.8 | Very low | 47.3 | Very low | 188 Ų | 188 | 142.8 Ų | 142.8 | 82% | 0.817 | 75% | 0.751 | S | S | * | * | | | trans | -52.9 | 113.1 | -176.8 | -69.8 | -178.4 | 177.9 | -178.3 | 0 | 106.4 | K68 T72 | K68-K70 PolarHBondContact O-N 3.14Å; K68-K70 VanDerWaalsContact O-N 3.1Å; K70-T72 PolarHBondContact O-N 2.78Å; K70-T72 PolarHBondContact O-OG1 3.01Å |
| 71 | Q | 41.2 | Very low | 48.2 | Very low | 195 Ų | 195 | 142 Ų | 142 | 91% | 0.911 | 74% | 0.741 | S | S | * | * | | | trans | -58.9 | 95.9 | 174.4 | -165.7 | 170.8 | 20.1 | 0 | 0 | 105.5 | E69 S73 | E69-Q71 PolarHBondContact O-N 2.87Å; Q71-S73 PolarHBondContact O-N 3.4Å |
| 72 | T | 44.3 | Very low | 49.1 | Very low | 110 Ų | 110 | 143.7 Ų | 143.7 | 68% | 0.675 | 74% | 0.736 | S | S | * | * | | | trans | -68.8 | 112.6 | 179.7 | -57.9 | 0 | 0 | 0 | 0 | 103.5 | K70 T74 | K70-T72 PolarHBondContact O-N 2.78Å; K70-T72 PolarHBondContact O-OG1 3.01Å; T72-T74 VanDerWaalsContact C-N 3.34Å; T72-T74 PolarHBondContact O-N 2.82Å; T72-T74 PolarHBondContact O-OG1 2.76Å |
| 73 | S | 42.2 | Very low | 49.9 | Very low | 95 Ų | 95 | 142.9 Ų | 142.9 | 66% | 0.664 | 72% | 0.716 | S | S | * | * | | | trans | -48.5 | 106 | 173.4 | -179.8 | 0 | 0 | 0 | 0 | 106.7 | Q71 I75 | Q71-S73 PolarHBondContact O-N 3.4Å; S73-I75 PolarHBondContact O-N 3.06Å |
| 74 | T | 50.6 | Low | 50.6 | Low | 135 Ų | 135 | 143.6 Ų | 143.6 | 83% | 0.828 | 71% | 0.711 | S | S | * | * | | | trans | -79.1 | 81.8 | 177.1 | -44 | 0 | 0 | 0 | 0 | 103.7 | T72 | T72-T74 VanDerWaalsContact C-N 3.34Å; T72-T74 PolarHBondContact O-N 2.82Å; T72-T74 PolarHBondContact O-OG1 2.76Å |
| 75 | I | 48.7 | Very low | 51.3 | Low | 131 Ų | 131 | 137.9 Ų | 137.9 | 67% | 0.672 | 70% | 0.698 | S | S | * | * | | | trans | -54.9 | 126.9 | 168.1 | -62.7 | 172.2 | 0 | 0 | 0 | 104.9 | S73 E77 | S73-I75 PolarHBondContact O-N 3.06Å; I75-E77 PolarHBondContact O-N 2.84Å |
| 76 | P | 51.1 | Low | 52 | Low | 116 Ų | 116 | 132.9 Ų | 132.9 | 75% | 0.753 | 69% | 0.688 | S | S | * | * | | | trans | -51.7 | 113.5 | 174.1 | -22 | 30.7 | 0 | 0 | 0 | 107.8 | D78 | P76-D78 PolarHBondContact O-N 2.87Š|
| 77 | E | 58.5 | Low | 52.1 | Low | 130 Ų | 130 | 130.5 Ų | 130.5 | 61% | 0.607 | 68% | 0.677 | S | S | * | * | | | trans | -69.4 | 106.6 | 179.4 | -155.3 | 154.8 | -154.8 | 0 | 0 | 105.2 | I75 P79 R350 | I75-E77 PolarHBondContact O-N 2.84Å; E77-P79 VanDerWaalsContact O-CD 3.27Å; E77-P79 WeakPolarHBondContact O-CD 3.32Å; E77-P79 VanDerWaalsContact O-N 3.11Å; E77-R350 IonicContact OE1-CZ 3.24Å; E77-R350 VanDerWaalsContact OE1-CZ 3.24Å; E77-R350 IonicContact OE1-NH1 3.01Å; E77-R350 PolarHBondContact OE1-NH1 2.95Å; E77-R350 IonicContact OE1-NH2 2.84Å; E77-R350 PolarHBondContact OE1-NH2 2.84Å |
| 78 | D | 60 | Low | 52.4 | Low | 76 Ų | 76 | 129.8 Ų | 129.8 | 41% | 0.406 | 67% | 0.674 | S | S | . | * | | | trans | -57.1 | 115.3 | 175.3 | 174.3 | -4 | 0 | 0 | 0 | 107.5 | P76 Y80 L81 | P76-D78 PolarHBondContact O-N 2.87Å; D78-Y80 PolarHBondContact O-N 2.93Å; D78-Y80 WeakPolarHBondContact OD1-CB 3.43Å; D78-Y80 WeakPolarHBondContact OD1-CD2 3.36Å; D78-Y80 PolarHBondContact OD1-N 2.92Å; D78-L81 HydrophobicContact CB-CB 4.17Å; D78-L81 HydrophobicContact CB-CD1 4.02Å; D78-L81 PolarHBondContact O-N 2.76Å |
| 79 | P | 64.4 | Low | 53 | Low | 97 Ų | 97 | 126.9 Ų | 126.9 | 63% | 0.63 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -11.8 | -174.5 | 25.6 | -32.8 | 0 | 0 | 0 | 113.2 | E77 F82 | E77-P79 VanDerWaalsContact O-CD 3.27Å; E77-P79 WeakPolarHBondContact O-CD 3.32Å; E77-P79 VanDerWaalsContact O-N 3.11Å; P79-F82 WeakPolarHBondContact O-CZ 3.18Å |
| 80 | Y | 59.6 | Low | 53.7 | Low | 157 Ų | 157 | 129.2 Ų | 129.2 | 62% | 0.616 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | -12 | 174.3 | -57.5 | -73.4 | 0 | 0 | 0 | 113.4 | D78 F82 | D78-Y80 PolarHBondContact O-N 2.93Å; D78-Y80 WeakPolarHBondContact OD1-CB 3.43Å; D78-Y80 WeakPolarHBondContact OD1-CD2 3.36Å; D78-Y80 PolarHBondContact OD1-N 2.92Å; Y80-F82 WeakPolarHBondContact O-CD2 3.39Å; Y80-F82 PolarHBondContact O-N 3.09Å |
| 81 | L | 59.4 | Low | 54.2 | Low | 115 Ų | 115 | 128.5 Ų | 128.5 | 60% | 0.602 | 67% | 0.668 | S | S | * | * | | | trans | -81.9 | 72.2 | 172.1 | -109.6 | 138.6 | 0 | 0 | 0 | 108.6 | D78 I83 | D78-L81 HydrophobicContact CB-CB 4.17Å; D78-L81 HydrophobicContact CB-CD1 4.02Å; D78-L81 PolarHBondContact O-N 2.76Å; L81-I83 VanDerWaalsContact C-N 3.25Å; L81-I83 HydrophobicContact CD2-CG1 4.36Å; L81-I83 PolarHBondContact O-N 2.84Å |
| 82 | F | 60 | Low | 55.2 | Low | 141 Ų | 141 | 127.2 Ų | 127.2 | 62% | 0.618 | 66% | 0.662 | S | S | * | * | | | trans | -64.7 | 94.3 | 162.5 | -57 | -74.5 | 0 | 0 | 0 | 107.1 | P79 Y80 D84 | P79-F82 WeakPolarHBondContact O-CZ 3.18Å; Y80-F82 WeakPolarHBondContact O-CD2 3.39Å; Y80-F82 PolarHBondContact O-N 3.09Å; F82-D84 PolarHBondContact O-N 3.05Å |
| 83 | I | 58.7 | Low | 55.8 | Low | 87 Ų | 87 | 128.8 Ų | 128.8 | 45% | 0.446 | 67% | 0.666 | S | S | . | * | | | trans | -73.6 | 93.9 | 167.8 | -55.2 | 160.4 | 0 | 0 | 0 | 104.5 | L81 N85 | L81-I83 VanDerWaalsContact C-N 3.25Å; L81-I83 HydrophobicContact CD2-CG1 4.36Å; L81-I83 PolarHBondContact O-N 2.84Å; I83-N85 VanDerWaalsContact CG2-ND2 3.35Å; I83-N85 WeakPolarHBondContact CG2-ND2 3.34Å; I83-N85 WeakPolarHBondContact CG2-OD1 3.48Å; I83-N85 PolarHBondContact O-N 3.41Å |
| 84 | D | 54.2 | Low | 56.4 | Low | 126 Ų | 126 | 129.7 Ų | 129.7 | 67% | 0.674 | 67% | 0.667 | S | S | * | * | | | trans | -61.3 | 81.7 | 165.6 | -62.5 | -26.2 | 0 | 0 | 0 | 106.8 | F82 D86 | F82-D84 PolarHBondContact O-N 3.05Å; D84-D86 PolarHBondContact O-N 2.84Å |
| 85 | N | 56.6 | Low | 56.4 | Low | 108 Ų | 108 | 129.2 Ų | 129.2 | 58% | 0.578 | 66% | 0.658 | S | S | * | * | | | trans | -74.5 | 42.7 | 171 | -75 | -58.6 | 0 | 0 | 0 | 109.8 | I83 S87 | I83-N85 VanDerWaalsContact CG2-ND2 3.35Å; I83-N85 WeakPolarHBondContact CG2-ND2 3.34Å; I83-N85 WeakPolarHBondContact CG2-OD1 3.48Å; I83-N85 PolarHBondContact O-N 3.41Å; N85-S87 PolarHBondContact O-N 2.83Å; N85-S87 VanDerWaalsContact O-N 3.13Å |
| 86 | D | 55.1 | Low | 56.4 | Low | 127 Ų | 127 | 128.6 Ų | 128.6 | 68% | 0.679 | 66% | 0.663 | S | S | * | * | | | trans | -79.7 | 23.1 | 173 | -66.4 | -8.8 | 0 | 0 | 0 | 110.6 | D84 D88 | D84-D86 PolarHBondContact O-N 2.84Å; D86-D88 PolarHBondContact O-N 3.42Å |
| 87 | S | 48.3 | Very low | 56.1 | Low | 79 Ų | 79 | 129.3 Ų | 129.3 | 55% | 0.552 | 66% | 0.66 | S | S | * | * | | | trans | -74.5 | 75.9 | 167.3 | -171.3 | 0 | 0 | 0 | 0 | 107.9 | N85 D89 | N85-S87 PolarHBondContact O-N 2.83Å; N85-S87 VanDerWaalsContact O-N 3.13Å; S87-D89 PolarHBondContact O-N 3.1Å |
| 88 | D | 54.9 | Low | 55.1 | Low | 135 Ų | 135 | 128.8 Ų | 128.8 | 72% | 0.722 | 67% | 0.671 | S | S | * | * | | | trans | -66.6 | 33.6 | 165.6 | -73.1 | -30.1 | 0 | 0 | 0 | 111.4 | D86 Y90 | D86-D88 PolarHBondContact O-N 3.42Å; D88-Y90 PolarHBondContact O-N 3.49Å |
| 89 | D | 56.8 | Low | 54.3 | Low | 142 Ų | 142 | 129.9 Ų | 129.9 | 76% | 0.759 | 69% | 0.685 | S | S | * | * | | | trans | -73.8 | -1.4 | 177.7 | -93.7 | -14.4 | 0 | 0 | 0 | 112.5 | S87 K91 | S87-D89 PolarHBondContact O-N 3.1Å; D89-K91 PolarHBondContact O-N 3.18Å |
| 90 | Y | 58.4 | Low | 53.3 | Low | 224 Ų | 224 | 134.4 Ų | 134.4 | 88% | 0.878 | 69% | 0.694 | S | S | * | * | | | trans | -79 | 59.9 | 162.8 | -65.5 | -84.9 | 0 | 0 | 0 | 110.4 | D88 E92 | D88-Y90 PolarHBondContact O-N 3.49Å; Y90-E92 PolarHBondContact O-N 2.85Å |
| 91 | K | 54.7 | Low | 52.5 | Low | 172 Ų | 172 | 134.7 Ų | 134.7 | 75% | 0.748 | 71% | 0.707 | S | S | * | * | | | trans | -69.9 | 90.5 | 155.4 | -69.1 | -163.7 | -178.3 | -175.1 | 0 | 106.7 | D89 N93 | D89-K91 PolarHBondContact O-N 3.18Å; K91-N93 PolarHBondContact O-N 3.29Å; K91-N93 PolarHBondContact O-OD1 2.87Å |
| 92 | E | 62.8 | Low | 52 | Low | 168 Ų | 168 | 134.9 Ų | 134.9 | 79% | 0.785 | 71% | 0.712 | S | S | * | * | | | trans | -55.6 | 110.6 | 164.5 | -175.9 | 176.5 | -167.1 | 0 | 0 | 106.6 | Y90 V94 | Y90-E92 PolarHBondContact O-N 2.85Å; E92-V94 PolarHBondContact O-N 3.2Å |
| 93 | N | 57.3 | Low | 51 | Low | 144 Ų | 144 | 134.4 Ų | 134.4 | 77% | 0.77 | 72% | 0.721 | S | S | * | * | | | trans | -66 | 85.8 | 174.2 | -72.9 | 14 | 0 | 0 | 0 | 107.3 | K91 I95 | K91-N93 PolarHBondContact O-N 3.29Å; K91-N93 PolarHBondContact O-OD1 2.87Å; N93-I95 VanDerWaalsContact C-N 3.3Å; N93-I95 PolarHBondContact O-N 3.27Å |
| 94 | V | 55.4 | Low | 50.7 | Low | 113 Ų | 113 | 138.8 Ų | 138.8 | 69% | 0.685 | 74% | 0.737 | S | S | * | * | | | trans | -64.9 | 97.3 | 171 | -178.9 | 0 | 0 | 0 | 0 | 106.3 | E92 P96 | E92-V94 PolarHBondContact O-N 3.2Å; V94-P96 VanDerWaalsContact O-CD 3.28Å; V94-P96 WeakPolarHBondContact O-CD 3.35Å |
| 95 | I | 49.7 | Very low | 50.1 | Low | 125 Ų | 125 | 142.7 Ų | 142.7 | 64% | 0.641 | 75% | 0.748 | S | S | * | * | | | trans | -61.7 | 118.8 | 165.2 | -60.1 | 172.6 | 0 | 0 | 0 | 105 | N93 N97 | N93-I95 VanDerWaalsContact C-N 3.3Å; N93-I95 PolarHBondContact O-N 3.27Å; I95-N97 PolarHBondContact O-N 3.28Å |
| 96 | P | 48.1 | Very low | 49.4 | Very low | 119 Ų | 119 | 143.1 Ų | 143.1 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | | | trans | -70.5 | 81.8 | 179 | 28.1 | -31.8 | 0 | 0 | 0 | 108.4 | V94 S98 | V94-P96 VanDerWaalsContact O-CD 3.28Å; V94-P96 WeakPolarHBondContact O-CD 3.35Å; P96-S98 PolarHBondContact O-N 3.22Å |
| 97 | N | 45.3 | Very low | 48.8 | Very low | 130 Ų | 130 | 141.5 Ų | 141.5 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | | | trans | -72.7 | 101 | 169.9 | -82.9 | -14.4 | 0 | 0 | 0 | 107.8 | I95 S99 | I95-N97 PolarHBondContact O-N 3.28Å; N97-S99 PolarHBondContact O-N 3.48Å |
| 98 | S | 37.9 | Very low | 48.6 | Very low | 120 Ų | 120 | 147.2 Ų | 147.2 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | | | trans | -34.8 | 99.4 | 161.7 | 46.9 | 0 | 0 | 0 | 0 | 112.2 | P96 | P96-S98 PolarHBondContact O-N 3.22Š|
| 99 | S | 42.3 | Very low | 48.2 | Very low | 98 Ų | 98 | 150 Ų | 150 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | | | trans | -153.9 | 108.8 | 160.5 | 54.4 | 0 | 0 | 0 | 0 | 111.5 | N97 | N97-S99 PolarHBondContact O-N 3.48Š|
| 100 | K | 43.6 | Very low | 47.2 | Very low | 192 Ų | 192 | 149.3 Ų | 149.3 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | | | trans | 54.3 | 108.5 | 145.8 | -58.5 | 179.6 | -177.8 | 178.2 | 0 | 116.2 | V102 | K100-V102 PolarHBondContact O-N 3.33Š|
| 101 | D | 42.5 | Very low | 46.5 | Very low | 164 Ų | 164 | 146.5 Ų | 146.5 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | | | trans | -41.2 | 92.6 | 164.7 | -67.9 | -55.6 | 0 | 0 | 0 | 112.6 | T103 | D101-T103 PolarHBondContact O-N 2.95Š|
| 102 | V | 49.3 | Very low | 46 | Very low | 118 Ų | 118 | 143.6 Ų | 143.6 | 72% | 0.715 | 78% | 0.777 | S | S | * | * | | | trans | -93.2 | 90.8 | 163 | -174.8 | 0 | 0 | 0 | 0 | 106.3 | K100 K104 | K100-V102 PolarHBondContact O-N 3.33Å; V102-K104 VanDerWaalsContact C-N 3.32Å; V102-K104 PolarHBondContact O-N 3.45Å |
| 103 | T | 39.7 | Very low | 45 | Very low | 132 Ų | 132 | 143.1 Ų | 143.1 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | | | trans | -61.7 | 92.1 | 173.2 | -1.5 | 0 | 0 | 0 | 0 | 108.7 | D101 K105 | D101-T103 PolarHBondContact O-N 2.95Å; T103-K105 PolarHBondContact O-N 3.18Å; T103-K105 VanDerWaalsContact O-N 3.11Å |
| 104 | K | 52.1 | Low | 44.2 | Very low | 178 Ų | 178 | 142.1 Ų | 142.1 | 77% | 0.774 | 78% | 0.779 | S | S | * | * | | | trans | -71.5 | 104.1 | 169.8 | -71.7 | -177.4 | -179.5 | 176.7 | 0 | 107.8 | V102 C106 | V102-K104 VanDerWaalsContact C-N 3.32Å; V102-K104 PolarHBondContact O-N 3.45Å; K104-C106 PolarHBondContact O-N 3.39Å |
| 105 | K | 42.4 | Very low | 43.5 | Very low | 208 Ų | 208 | 146 Ų | 146 | 90% | 0.904 | 79% | 0.787 | S | S | * | * | | | trans | -61.1 | 102.6 | 167.5 | -77 | -162.6 | 176 | -176.6 | 0 | 108.8 | T103 A107 | T103-K105 PolarHBondContact O-N 3.18Å; T103-K105 VanDerWaalsContact O-N 3.11Å; K105-A107 PolarHBondContact O-N 2.96Å; K105-A107 VanDerWaalsContact O-N 3.1Å |
| 106 | C | 40.2 | Very low | 43.2 | Very low | 118 Ų | 118 | 145.1 Ų | 145.1 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | | | trans | -69.1 | 101.8 | 169.2 | -68.1 | 0 | 0 | 0 | 0 | 108.9 | K104 K108 | K104-C106 PolarHBondContact O-N 3.39Å; C106-K108 PolarHBondContact O-N 3.32Å; C106-K108 VanDerWaalsContact O-N 3.14Å |
| 107 | A | 43.7 | Very low | 42.9 | Very low | 93 Ų | 93 | 149.2 Ų | 149.2 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | | | trans | -69.8 | 104.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | K105 K109 | K105-A107 PolarHBondContact O-N 2.96Å; K105-A107 VanDerWaalsContact O-N 3.1Å; A107-K109 PolarHBondContact O-N 3.3Å |
| 108 | K | 44.4 | Very low | 42.6 | Very low | 198 Ų | 198 | 148.6 Ų | 148.6 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | | | trans | -64.2 | 101.6 | 168.7 | -79.6 | -178.8 | 176.2 | 179.3 | 0 | 108.1 | C106 T110 | C106-K108 PolarHBondContact O-N 3.32Å; C106-K108 VanDerWaalsContact O-N 3.14Å; K108-T110 VanDerWaalsContact C-N 3.35Å; K108-T110 PolarHBondContact O-N 3.41Å; K108-T110 VanDerWaalsContact O-N 3.07Å |
| 109 | K | 45.4 | Very low | 42.8 | Very low | 194 Ų | 194 | 147 Ų | 147 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | | | trans | -71.2 | 95.8 | 163 | -78.2 | -177 | 174.8 | -179.3 | 0 | 107.5 | A107 H111 | A107-K109 PolarHBondContact O-N 3.3Å; K109-H111 PolarHBondContact O-N 3.22Å |
| 110 | T | 37 | Very low | 42.7 | Very low | 128 Ų | 128 | 149.6 Ų | 149.6 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | trans | -65.6 | 112.3 | 166.1 | -52.2 | 0 | 0 | 0 | 0 | 107.4 | K108 | K108-T110 VanDerWaalsContact C-N 3.35Å; K108-T110 PolarHBondContact O-N 3.41Å; K108-T110 VanDerWaalsContact O-N 3.07Å |
| 111 | H | 42.9 | Very low | 42.8 | Very low | 165 Ų | 165 | 145.8 Ų | 145.8 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | | | trans | -65.7 | 134.1 | 169.5 | -89.5 | -88.9 | 0 | 0 | 0 | 108.8 | K109 D113 | K109-H111 PolarHBondContact O-N 3.22Å; H111-D113 PolarHBondContact O-N 3.25Å |
| 112 | P | 44.1 | Very low | 42.9 | Very low | 110 Ų | 110 | 147.7 Ų | 147.7 | 71% | 0.714 | 79% | 0.789 | S | S | * | * | | | trans | -63.2 | 128.5 | 171.5 | 24.5 | -30.6 | 0 | 0 | 0 | 109.4 | V114 | P112-V114 PolarHBondContact O-N 3.48Š|
| 113 | D | 42.1 | Very low | 42.7 | Very low | 158 Ų | 158 | 152 Ų | 152 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | | | trans | -52.3 | 101.7 | 173 | -88.5 | -38.7 | 0 | 0 | 0 | 110.2 | H111 K115 | H111-D113 PolarHBondContact O-N 3.25Å; D113-K115 VanDerWaalsContact C-N 3.35Å; D113-K115 PolarHBondContact O-N 2.87Å |
| 114 | V | 39.7 | Very low | 43 | Very low | 123 Ų | 123 | 150.9 Ų | 150.9 | 75% | 0.745 | 80% | 0.796 | S | S | * | * | | | trans | -72.8 | 97.2 | 166.8 | -178.5 | 0 | 0 | 0 | 0 | 106.5 | P112 V116 | P112-V114 PolarHBondContact O-N 3.48Å; V114-V116 HydrophobicContact CG1-CG2 3.91Å; V114-V116 PolarHBondContact O-N 3.2Å |
| 115 | K | 41.4 | Very low | 42.8 | Very low | 195 Ų | 195 | 152.4 Ų | 152.4 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | | | trans | -62.3 | 84 | 166.9 | -77.9 | -178.1 | 177 | 177.5 | 0 | 109.1 | D113 K117 | D113-K115 VanDerWaalsContact C-N 3.35Å; D113-K115 PolarHBondContact O-N 2.87Å; K115-K117 PolarHBondContact O-N 3.23Å |
| 116 | V | 43.2 | Very low | 42.9 | Very low | 107 Ų | 107 | 147.8 Ų | 147.8 | 65% | 0.648 | 80% | 0.796 | S | S | * | * | | | trans | -69.5 | 104 | 167.2 | -178 | 0 | 0 | 0 | 0 | 106.8 | V114 V118 | V114-V116 HydrophobicContact CG1-CG2 3.91Å; V114-V116 PolarHBondContact O-N 3.2Å; V116-V118 VanDerWaalsContact C-N 3.28Å; V116-V118 HydrophobicContact CG1-CG2 4.23Å; V116-V118 PolarHBondContact O-N 3.16Å |
| 117 | K | 41.2 | Very low | 43.3 | Very low | 205 Ų | 205 | 151.5 Ų | 151.5 | 89% | 0.891 | 80% | 0.798 | S | S | * | * | | | trans | -63.4 | 93.5 | 165.1 | -86.4 | -177.5 | 173.7 | 178.4 | 0 | 107.5 | K115 A119 | K115-K117 PolarHBondContact O-N 3.23Å; K117-A119 PolarHBondContact O-N 3.5Å |
| 118 | V | 40.6 | Very low | 43.1 | Very low | 117 Ų | 117 | 155.9 Ų | 155.9 | 71% | 0.709 | 80% | 0.803 | S | S | * | * | | | trans | -69.1 | 101.5 | 169.2 | -179.2 | 0 | 0 | 0 | 0 | 107 | V116 N120 | V116-V118 VanDerWaalsContact C-N 3.28Å; V116-V118 HydrophobicContact CG1-CG2 4.23Å; V116-V118 PolarHBondContact O-N 3.16Å; V118-N120 PolarHBondContact O-N 3.43Å |
| 119 | A | 41.7 | Very low | 42.9 | Very low | 86 Ų | 86 | 158.2 Ų | 158.2 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | | | trans | -64.4 | 115.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | K117 P121 | K117-A119 PolarHBondContact O-N 3.5Å; A119-P121 WeakPolarHBondContact O-CD 3.48Å; A119-P121 VanDerWaalsContact O-N 3.13Å |
| 120 | N | 40.5 | Very low | 42.7 | Very low | 153 Ų | 153 | 155.5 Ų | 155.5 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | trans | -54.7 | 112.8 | 176.1 | -93.4 | -38.8 | 0 | 0 | 0 | 110.5 | V118 K122 | V118-N120 PolarHBondContact O-N 3.43Å; N120-K122 PolarHBondContact O-N 3Å |
| 121 | P | 44.7 | Very low | 42.9 | Very low | 111 Ų | 111 | 153.7 Ų | 153.7 | 72% | 0.721 | 81% | 0.805 | S | S | * | * | | | trans | -68.5 | 127.9 | 169.7 | -12.2 | 28.6 | 0 | 0 | 0 | 108.3 | A119 K123 | A119-P121 WeakPolarHBondContact O-CD 3.48Å; A119-P121 VanDerWaalsContact O-N 3.13Å; P121-K123 PolarHBondContact O-N 3.41Å |
| 122 | K | 44.6 | Very low | 43 | Very low | 205 Ų | 205 | 151.8 Ų | 151.8 | 89% | 0.891 | 81% | 0.81 | S | S | * | * | | | trans | -54.4 | 128 | 177 | -71.5 | -177 | 175.5 | 177.1 | 0 | 109.8 | N120 S124 | N120-K122 PolarHBondContact O-N 3Å; K122-S124 PolarHBondContact O-N 3.4Å |
| 123 | K | 45.8 | Very low | 42.9 | Very low | 208 Ų | 208 | 153.2 Ų | 153.2 | 90% | 0.904 | 82% | 0.817 | S | S | * | * | | | trans | -56.1 | 98.5 | 175.6 | -62.6 | -177.2 | 179 | -177.1 | 0 | 109.9 | P121 K125 | P121-K123 PolarHBondContact O-N 3.41Å; K123-K125 PolarHBondContact O-N 3.28Å |
| 124 | S | 44.3 | Very low | 43 | Very low | 109 Ų | 109 | 149.9 Ų | 149.9 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | | | trans | -69.9 | 121.3 | 167.2 | 50.6 | 0 | 0 | 0 | 0 | 108.4 | K122 S126 | K122-S124 PolarHBondContact O-N 3.4Å; S124-S126 PolarHBondContact O-N 2.97Å |
| 125 | K | 48.3 | Very low | 43.1 | Very low | 210 Ų | 210 | 153.2 Ų | 153.2 | 91% | 0.913 | 82% | 0.816 | S | S | * | * | | | trans | -60.5 | 98.7 | 174.7 | -68 | -178.7 | 177 | -179 | 0 | 109 | K123 K127 | K123-K125 PolarHBondContact O-N 3.28Å; K125-K127 PolarHBondContact O-N 2.87Å |
| 126 | S | 46.1 | Very low | 42.9 | Very low | 111 Ų | 111 | 149.8 Ų | 149.8 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | | | trans | -70.5 | 127.5 | 166.2 | 52.4 | 0 | 0 | 0 | 0 | 108.2 | S124 Q128 | S124-S126 PolarHBondContact O-N 2.97Å; S126-Q128 PolarHBondContact O-N 2.8Å; S126-Q128 VanDerWaalsContact O-N 3.16Å |
| 127 | K | 48.3 | Very low | 42.9 | Very low | 195 Ų | 195 | 153.4 Ų | 153.4 | 85% | 0.848 | 82% | 0.819 | S | S | * | * | | | trans | -65.5 | 112.5 | 173.2 | -75.5 | 177.7 | 175.8 | 179 | 0 | 107.6 | K125 W129 | K125-K127 PolarHBondContact O-N 2.87Å; K127-W129 PolarHBondContact O-N 2.79Å |
| 128 | Q | 39.2 | Very low | 43 | Very low | 186 Ų | 186 | 152.3 Ų | 152.3 | 87% | 0.869 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 120.7 | 174.8 | -174.1 | 174.9 | -28.3 | 0 | 0 | 108.6 | S126 | S126-Q128 PolarHBondContact O-N 2.8Å; S126-Q128 VanDerWaalsContact O-N 3.16Å |
| 129 | W | 40 | Very low | 42.9 | Very low | 247 Ų | 247 | 156.8 Ų | 156.8 | 94% | 0.936 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -69 | 132.2 | 175.7 | -65.8 | 85.3 | 0 | 0 | 0 | 109.5 | K127 | K127-W129 PolarHBondContact O-N 2.79Š|
| 130 | T | 40.8 | Very low | 42.8 | Very low | 136 Ų | 136 | 159.7 Ų | 159.7 | 83% | 0.834 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 131.8 | 174.1 | -37.4 | 0 | 0 | 0 | 0 | 108.9 | S132 | T130-S132 PolarHBondContact O-N 3.38Š|
| 131 | A | 42.6 | Very low | 42.9 | Very low | 91 Ų | 91 | 157.5 Ų | 157.5 | 75% | 0.752 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 125 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111 | T133 | A131-T133 PolarHBondContact O-N 3.16Š|
| 132 | S | 43.6 | Very low | 42.6 | Very low | 125 Ų | 125 | 157.9 Ų | 157.9 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 124.4 | 173.7 | -76.8 | 0 | 0 | 0 | 0 | 110.6 | T130 A134 | T130-S132 PolarHBondContact O-N 3.38Å; S132-A134 PolarHBondContact O-N 3.48Å |
| 133 | T | 41.9 | Very low | 41.9 | Very low | 140 Ų | 140 | 151.3 Ų | 151.3 | 86% | 0.859 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 123 | 174.5 | -30.5 | 0 | 0 | 0 | 0 | 109.1 | A131 F135 | A131-T133 PolarHBondContact O-N 3.16Å; T133-F135 PolarHBondContact O-N 3.34Å |
| 134 | A | 45.1 | Very low | 41.5 | Very low | 88 Ų | 88 | 150.3 Ų | 150.3 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 121.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | S132 T136 | S132-A134 PolarHBondContact O-N 3.48Å; A134-T136 PolarHBondContact O-N 3.37Å |
| 135 | F | 41.3 | Very low | 41.2 | Very low | 192 Ų | 192 | 151.1 Ų | 151.1 | 84% | 0.842 | 81% | 0.813 | S | S | * | * | | | trans | -78 | 102.5 | 178.1 | -156.2 | -93.1 | 0 | 0 | 0 | 109.1 | T133 K137 | T133-F135 PolarHBondContact O-N 3.34Å; F135-K137 HydrophobicContact CD1-CG 4.34Å; F135-K137 PolarHBondContact O-N 2.7Å; F135-K137 VanDerWaalsContact O-N 3.1Å |
| 136 | T | 37.1 | Very low | 40.8 | Very low | 124 Ų | 124 | 148.4 Ų | 148.4 | 76% | 0.761 | 81% | 0.808 | S | S | * | * | | | trans | -72.7 | 99.4 | 177.1 | -47.3 | 0 | 0 | 0 | 0 | 109.7 | A134 Q138 | A134-T136 PolarHBondContact O-N 3.37Å; T136-Q138 PolarHBondContact O-N 2.74Å |
| 137 | K | 44.1 | Very low | 40.4 | Very low | 182 Ų | 182 | 150.7 Ų | 150.7 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | | | trans | -73.2 | 119.5 | 166.1 | -80.3 | -167.2 | 176 | -177 | 0 | 109.2 | F135 Y139 | F135-K137 HydrophobicContact CD1-CG 4.34Å; F135-K137 PolarHBondContact O-N 2.7Å; F135-K137 VanDerWaalsContact O-N 3.1Å; K137-Y139 PolarHBondContact O-N 3.11Å |
| 138 | Q | 41.8 | Very low | 39.8 | Very low | 182 Ų | 182 | 145.8 Ų | 145.8 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | | | trans | -64.6 | 115.3 | 169.4 | -77.8 | -178.5 | -13.8 | 0 | 0 | 109.4 | T136 I140 | T136-Q138 PolarHBondContact O-N 2.74Å; Q138-I140 PolarHBondContact O-N 3.5Å |
| 139 | Y | 40.2 | Very low | 39.7 | Very low | 211 Ų | 211 | 148.2 Ų | 148.2 | 83% | 0.827 | 81% | 0.809 | S | S | * | * | | | trans | -81.8 | 112.7 | 173.6 | -162.2 | -96.7 | 0 | 0 | 0 | 108.5 | K137 P141 | K137-Y139 PolarHBondContact O-N 3.11Å; Y139-P141 WeakPolarHBondContact O-CD 3.37Å |
| 140 | I | 39 | Very low | 39.3 | Very low | 148 Ų | 148 | 146.2 Ų | 146.2 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | | | trans | -87.2 | 113.3 | 171.6 | -60.6 | 176.2 | 0 | 0 | 0 | 107.2 | Q138 S142 | Q138-I140 PolarHBondContact O-N 3.5Å; I140-S142 PolarHBondContact O-N 2.98Å |
| 141 | P | 42.3 | Very low | 39.4 | Very low | 107 Ų | 107 | 147.9 Ų | 147.9 | 70% | 0.695 | 80% | 0.801 | S | S | * | * | | | trans | -74 | 108.8 | -178.6 | -8.9 | 25.4 | 0 | 0 | 0 | 109.8 | Y139 G143 | Y139-P141 WeakPolarHBondContact O-CD 3.37Å; P141-G143 PolarHBondContact O-N 3.24Å |
| 142 | S | 38.4 | Very low | 39.2 | Very low | 118 Ų | 118 | 149.9 Ų | 149.9 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | | | trans | -74.6 | 111 | 167.3 | 63.5 | 0 | 0 | 0 | 0 | 108.8 | I140 | I140-S142 PolarHBondContact O-N 2.98Š|
| 143 | G | 30.7 | Very low | 39 | Very low | 68 Ų | 68 | 147.9 Ų | 147.9 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | | | trans | -62.4 | 142.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114 | P141 | P141-G143 PolarHBondContact O-N 3.24Š|
| 144 | K | 37.3 | Very low | 38.8 | Very low | 187 Ų | 187 | 148.8 Ų | 148.8 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | | | | -158.6 | 137.1 | 110.2 | -81 | -145.8 | 178.8 | -177.8 | 0 | 109.1 | N146 | K144-N146 PolarHBondContact O-N 3.31Š|
| 145 | P | 36.8 | Very low | 38.6 | Very low | 125 Ų | 125 | 152.9 Ų | 152.9 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | | | trans | -84.1 | 112.2 | 179.8 | 32.3 | -28.9 | 0 | 0 | 0 | 109.2 | | |
| 146 | N | 41.4 | Very low | 38.6 | Very low | 153 Ų | 153 | 148.1 Ų | 148.1 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | -123.2 | 115.6 | 166.2 | -77.8 | -25.5 | 0 | 0 | 0 | 108.6 | K144 | K144-N146 PolarHBondContact O-N 3.31Š|
| 147 | D | 37.4 | Very low | 38.7 | Very low | 159 Ų | 159 | 149.2 Ų | 149.2 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | | | trans | 34.3 | 107.2 | 161.8 | -94.9 | -31 | 0 | 0 | 0 | 119.1 | R149 | D147-R149 PolarHBondContact O-N 3.1Š|
| 148 | A | 36.1 | Very low | 38.4 | Very low | 93 Ų | 93 | 144.5 Ų | 144.5 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | | | trans | -56.1 | 101.6 | 165 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 149 | R | 35.4 | Very low | 38.3 | Very low | 236 Ų | 236 | 141.7 Ų | 141.7 | 89% | 0.891 | 78% | 0.782 | S | S | * | * | | | trans | -117.6 | 97 | 147.4 | -67 | -167.2 | -173.5 | -166.1 | 2.7 | 107.2 | D147 E151 | D147-R149 PolarHBondContact O-N 3.1Å; R149-E151 PolarHBondContact O-N 3.34Å; R149-E151 VanDerWaalsContact O-N 3.07Å |
| 150 | Y | 32.7 | Very low | 38.3 | Very low | 205 Ų | 205 | 140.1 Ų | 140.1 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | | | trans | -58.4 | 97.5 | 170.3 | -125.2 | -97.9 | 0 | 0 | 0 | 107.6 | | |
| 151 | E | 41.9 | Very low | 38.4 | Very low | 171 Ų | 171 | 138.1 Ų | 138.1 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | | | trans | -119.2 | 113.3 | 160.1 | -73.7 | -66.8 | 153.7 | 0 | 0 | 105.1 | R149 A153 | R149-E151 PolarHBondContact O-N 3.34Å; R149-E151 VanDerWaalsContact O-N 3.07Å; E151-A153 PolarHBondContact O-N 3.48Å |
| 152 | D | 38 | Very low | 38.4 | Very low | 134 Ų | 134 | 140 Ų | 140 | 72% | 0.717 | 79% | 0.785 | S | S | * | * | | | trans | -57 | 82.9 | -179 | -74.7 | -41 | 0 | 0 | 0 | 110.2 | L154 | D152-L154 PolarHBondContact O-N 3.01Š|
| 153 | A | 40.2 | Very low | 38.4 | Very low | 82 Ų | 82 | 140.2 Ų | 140.2 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | | | trans | -72.6 | 82 | 164.1 | 0 | 0 | 0 | 0 | 0 | 107 | E151 H155 | E151-A153 PolarHBondContact O-N 3.48Å; A153-H155 PolarHBondContact O-N 3Å |
| 154 | L | 38.2 | Very low | 38.6 | Very low | 160 Ų | 160 | 142.7 Ų | 142.7 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | | | trans | -39.6 | 111.2 | 165 | -80.1 | 163.4 | 0 | 0 | 0 | 108.4 | D152 A156 | D152-L154 PolarHBondContact O-N 3.01Å; L154-A156 PolarHBondContact O-N 3.18Å |
| 155 | H | 40.7 | Very low | 38.7 | Very low | 173 Ų | 173 | 137.7 Ų | 137.7 | 80% | 0.801 | 78% | 0.776 | S | S | * | * | | | trans | -61.7 | 77.7 | 169.5 | -69.5 | -82.5 | 0 | 0 | 0 | 108.6 | A153 N157 | A153-H155 PolarHBondContact O-N 3Å; H155-N157 PolarHBondContact O-N 3.25Å |
| 156 | A | 40.9 | Very low | 38.7 | Very low | 93 Ų | 93 | 137.7 Ų | 137.7 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | | | trans | -67.9 | 92.8 | 157.9 | 0 | 0 | 0 | 0 | 0 | 105.2 | L154 A158 | L154-A156 PolarHBondContact O-N 3.18Å; A156-A158 PolarHBondContact O-N 3.24Å |
| 157 | N | 39.5 | Very low | 38.6 | Very low | 146 Ų | 146 | 135.4 Ų | 135.4 | 78% | 0.781 | 77% | 0.767 | S | S | * | * | | | trans | -51.5 | 91.5 | 168.4 | -68.5 | -57.9 | 0 | 0 | 0 | 107.9 | H155 P159 | H155-N157 PolarHBondContact O-N 3.25Å; N157-P159 VanDerWaalsContact O-CD 3.31Å; N157-P159 WeakPolarHBondContact O-CD 3.11Å |
| 158 | A | 37.5 | Very low | 38.6 | Very low | 83 Ų | 83 | 135.6 Ų | 135.6 | 69% | 0.686 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 117.3 | 163.4 | 0 | 0 | 0 | 0 | 0 | 105.1 | A156 E160 | A156-A158 PolarHBondContact O-N 3.24Å; A158-E160 PolarHBondContact O-N 3.38Å |
| 159 | P | 40.2 | Very low | 38.8 | Very low | 123 Ų | 123 | 137 Ų | 137 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 116.3 | 177.5 | 22.7 | -30.4 | 0 | 0 | 0 | 107.5 | N157 S161 | N157-P159 VanDerWaalsContact O-CD 3.31Å; N157-P159 WeakPolarHBondContact O-CD 3.11Å; P159-S161 PolarHBondContact O-N 3.39Å; P159-S161 VanDerWaalsContact O-N 3.13Å |
| 160 | E | 40.2 | Very low | 39 | Very low | 179 Ų | 179 | 130.2 Ų | 130.2 | 84% | 0.836 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 122.9 | 174.9 | -71.2 | -177.7 | 162 | 0 | 0 | 108 | A158 I162 | A158-E160 PolarHBondContact O-N 3.38Å; E160-I162 PolarHBondContact O-N 2.95Å |
| 161 | S | 41 | Very low | 39.3 | Very low | 105 Ų | 105 | 129.2 Ų | 129.2 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | | | trans | -50 | 109.1 | 175.1 | 179.3 | 0 | 0 | 0 | 0 | 108.3 | P159 V163 | P159-S161 PolarHBondContact O-N 3.39Å; P159-S161 VanDerWaalsContact O-N 3.13Å; S161-V163 PolarHBondContact O-N 2.94Å |
| 162 | I | 41.2 | Very low | 38.9 | Very low | 148 Ų | 148 | 126.5 Ų | 126.5 | 76% | 0.759 | 75% | 0.749 | S | S | * | * | | | trans | -70.3 | 88.8 | 174.6 | -45.9 | 170.2 | 0 | 0 | 0 | 105.1 | E160 T164 | E160-I162 PolarHBondContact O-N 2.95Å; I162-T164 PolarHBondContact O-N 3.13Å; I162-T164 PolarHBondContact O-OG1 3Å |
| 163 | V | 38.6 | Very low | 38.9 | Very low | 122 Ų | 122 | 126 Ų | 126 | 74% | 0.739 | 75% | 0.751 | S | S | * | * | | | trans | -56.4 | 100 | 165.5 | 177.8 | 0 | 0 | 0 | 0 | 105 | S161 A165 | S161-V163 PolarHBondContact O-N 2.94Å; V163-A165 PolarHBondContact O-N 3.02Å |
| 164 | T | 36.6 | Very low | 38.5 | Very low | 119 Ų | 119 | 128.4 Ų | 128.4 | 73% | 0.73 | 75% | 0.752 | S | S | * | * | | | trans | -71.7 | 93 | 175.3 | -56.2 | 0 | 0 | 0 | 0 | 104.8 | I162 V166 | I162-T164 PolarHBondContact O-N 3.13Å; I162-T164 PolarHBondContact O-OG1 3Å; T164-V166 PolarHBondContact O-N 3.33Å |
| 165 | A | 38.4 | Very low | 38.5 | Very low | 83 Ų | 83 | 126.1 Ų | 126.1 | 69% | 0.686 | 75% | 0.747 | S | S | * | * | | | trans | -58.2 | 108.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | V163 P167 | V163-A165 PolarHBondContact O-N 3.02Å; A165-P167 WeakPolarHBondContact O-CD 3.49Å |
| 166 | V | 36.5 | Very low | 38.3 | Very low | 125 Ų | 125 | 127.2 Ų | 127.2 | 76% | 0.758 | 75% | 0.75 | S | S | * | * | | | trans | -58.9 | 120 | 169.3 | 177.5 | 0 | 0 | 0 | 0 | 106 | T164 L168 | T164-V166 PolarHBondContact O-N 3.33Å; V166-L168 PolarHBondContact O-N 2.93Å |
| 167 | P | 39.4 | Very low | 38 | Very low | 104 Ų | 104 | 128.4 Ų | 128.4 | 68% | 0.675 | 75% | 0.752 | S | S | * | * | | | trans | -60.5 | 113.7 | 176.8 | 21.8 | -29.5 | 0 | 0 | 0 | 107.8 | A165 V169 | A165-P167 WeakPolarHBondContact O-CD 3.49Å; P167-V169 VanDerWaalsContact C-N 3.26Å; P167-V169 PolarHBondContact O-N 3.28Å |
| 168 | L | 37.9 | Very low | 37.8 | Very low | 164 Ų | 164 | 126.1 Ų | 126.1 | 86% | 0.859 | 75% | 0.753 | S | S | * | * | | | trans | -58.8 | 97.8 | 163.4 | -99.3 | 132 | 0 | 0 | 0 | 106.2 | V166 S170 | V166-L168 PolarHBondContact O-N 2.93Å; L168-S170 PolarHBondContact O-N 3.07Å |
| 169 | V | 39.8 | Very low | 37.6 | Very low | 123 Ų | 123 | 126.9 Ų | 126.9 | 75% | 0.745 | 75% | 0.754 | S | S | * | * | | | trans | -71.1 | 80.8 | 167.1 | -174.6 | 0 | 0 | 0 | 0 | 105.6 | P167 K171 | P167-V169 VanDerWaalsContact C-N 3.26Å; P167-V169 PolarHBondContact O-N 3.28Å; V169-K171 PolarHBondContact O-N 3.43Å |
| 170 | S | 40.4 | Very low | 37.2 | Very low | 92 Ų | 92 | 125.8 Ų | 125.8 | 64% | 0.643 | 76% | 0.755 | S | S | * | * | | | trans | -60.8 | 107.6 | 161.4 | 36.1 | 0 | 0 | 0 | 0 | 105.8 | L168 T172 | L168-S170 PolarHBondContact O-N 3.07Å; S170-T172 PolarHBondContact O-N 2.87Å |
| 171 | K | 37.8 | Very low | 36.8 | Very low | 184 Ų | 184 | 126.3 Ų | 126.3 | 80% | 0.8 | 76% | 0.755 | S | S | * | * | | | trans | -61.4 | 97.1 | 162.8 | -74.8 | -174.1 | 177.1 | 177.9 | 0 | 105.6 | V169 V173 | V169-K171 PolarHBondContact O-N 3.43Å; K171-V173 PolarHBondContact O-N 3.28Å |
| 172 | T | 34.5 | Very low | 36.6 | Very low | 114 Ų | 114 | 126.6 Ų | 126.6 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | | | trans | -60.1 | 92 | 163.8 | -55.1 | 0 | 0 | 0 | 0 | 106.1 | S170 N174 | S170-T172 PolarHBondContact O-N 2.87Å; T172-N174 VanDerWaalsContact C-N 3.32Å; T172-N174 PolarHBondContact O-N 3.08Å |
| 173 | V | 37.4 | Very low | 36.1 | Very low | 124 Ų | 124 | 128.3 Ų | 128.3 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | | | trans | -68.6 | 101.5 | 165.8 | -177.8 | 0 | 0 | 0 | 0 | 104.1 | K171 P175 | K171-V173 PolarHBondContact O-N 3.28Å; V173-P175 WeakPolarHBondContact O-CD 3.47Å; V173-P175 VanDerWaalsContact O-N 3.1Å |
| 174 | N | 30.9 | Very low | 35.8 | Very low | 132 Ų | 132 | 126.9 Ų | 126.9 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | | | trans | -52 | 119.6 | 170 | -96 | -36.5 | 0 | 0 | 0 | 107.1 | T172 K176 | T172-N174 VanDerWaalsContact C-N 3.32Å; T172-N174 PolarHBondContact O-N 3.08Å; N174-K176 PolarHBondContact O-N 3.21Å |
| 175 | P | 39.6 | Very low | 35.5 | Very low | 112 Ų | 112 | 128.7 Ų | 128.7 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | | | trans | -60.6 | 110.1 | 171 | 24.6 | -30.3 | 0 | 0 | 0 | 106 | V173 S177 | V173-P175 WeakPolarHBondContact O-CD 3.47Å; V173-P175 VanDerWaalsContact O-N 3.1Å; P175-S177 PolarHBondContact O-N 3.15Å |
| 176 | K | 36.3 | Very low | 35.3 | Very low | 197 Ų | 197 | 131.8 Ų | 131.8 | 86% | 0.857 | 76% | 0.76 | S | S | * | * | | | trans | -53.8 | 115 | 172.8 | -167.3 | 164.4 | -175.4 | 172.8 | 0 | 105.7 | N174 A178 | N174-K176 PolarHBondContact O-N 3.21Å; K176-A178 PolarHBondContact O-N 2.76Å |
| 177 | S | 34.5 | Very low | 35 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | | | trans | -45.7 | 99.4 | -174.4 | -35.1 | 0 | 0 | 0 | 0 | 109.4 | P175 S179 | P175-S177 PolarHBondContact O-N 3.15Å; S177-S179 PolarHBondContact O-N 3.29Å |
| 178 | A | 34.6 | Very low | 34.8 | Very low | 97 Ų | 97 | 136.8 Ų | 136.8 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | | | trans | -69 | 120.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 105.8 | K176 A180 | K176-A178 PolarHBondContact O-N 2.76Å; A178-A180 PolarHBondContact O-N 3.38Å |
| 179 | S | 34.5 | Very low | 34.5 | Very low | 100 Ų | 100 | 133.7 Ų | 133.7 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | | | trans | -51.3 | 132.8 | -176.8 | 57.3 | 0 | 0 | 0 | 0 | 110.7 | S177 F181 | S177-S179 PolarHBondContact O-N 3.29Å; S179-F181 PolarHBondContact O-N 2.92Å |
| 180 | A | 30.6 | Very low | 34.1 | Very low | 100 Ų | 100 | 134.3 Ų | 134.3 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | | | trans | -49.7 | 112.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110 | A178 | A178-A180 PolarHBondContact O-N 3.38Š|
| 181 | F | 32.2 | Very low | 33.5 | Very low | 190 Ų | 190 | 133.5 Ų | 133.5 | 83% | 0.833 | 78% | 0.779 | S | S | * | * | | | trans | -123.9 | 136.8 | 156.6 | -110.8 | -96.4 | 0 | 0 | 0 | 107.7 | S179 | S179-F181 PolarHBondContact O-N 2.92Š|
| 182 | P | 36.4 | Very low | 33.2 | Very low | 110 Ų | 110 | 128.4 Ų | 128.4 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | | | trans | -78.5 | 149.2 | -151.8 | 30.8 | -32.5 | 0 | 0 | 0 | 112 | S184 | P182-S184 PolarHBondContact O-N 2.75Š|
| 183 | E | 30.8 | Very low | 32.9 | Very low | 184 Ų | 184 | 131 Ų | 131 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | | | trans | -45.9 | 105.7 | 166.6 | -65.3 | 174.3 | 152.4 | 0 | 0 | 110.8 | | |
| 184 | S | 32.4 | Very low | 32.7 | Very low | 93 Ų | 93 | 131.4 Ų | 131.4 | 65% | 0.65 | 79% | 0.79 | S | S | * | * | | | trans | -110.8 | 95.1 | 156.6 | 70.7 | 0 | 0 | 0 | 0 | 107.9 | P182 Q186 | P182-S184 PolarHBondContact O-N 2.75Å; S184-Q186 PolarHBondContact O-N 2.92Å |
| 185 | N | 30.7 | Very low | 33 | Very low | 156 Ų | 156 | 132.5 Ų | 132.5 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | | | trans | -62.8 | 88.1 | 163.7 | -69.4 | -45.5 | 0 | 0 | 0 | 108.3 | | |
| 186 | Q | 33.9 | Very low | 32.5 | Very low | 149 Ų | 149 | 132.3 Ų | 132.3 | 70% | 0.696 | 80% | 0.796 | S | S | * | * | | | trans | -125.4 | 102.8 | 166.3 | -69.5 | -163.2 | 40.5 | 0 | 0 | 108.6 | S184 I188 | S184-Q186 PolarHBondContact O-N 2.92Å; Q186-I188 VanDerWaalsContact C-N 3.28Å; Q186-I188 HydrophobicContact CB-CG1 4.31Å; Q186-I188 PolarHBondContact O-N 2.71Å |
| 187 | L | 30.5 | Very low | 32.3 | Very low | 184 Ų | 184 | 128.2 Ų | 128.2 | 96% | 0.963 | 79% | 0.791 | S | S | * | * | | | trans | -56.8 | 90.4 | 163.6 | -68.3 | 160.5 | 0 | 0 | 0 | 108 | | |
| 188 | I | 35.9 | Very low | 32.2 | Very low | 149 Ų | 149 | 128.1 Ų | 128.1 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | | | trans | -94.3 | 108.1 | 171.4 | -59.3 | 174.8 | 0 | 0 | 0 | 107.1 | Q186 | Q186-I188 VanDerWaalsContact C-N 3.28Å; Q186-I188 HydrophobicContact CB-CG1 4.31Å; Q186-I188 PolarHBondContact O-N 2.71Å |
| 189 | S | 32.1 | Very low | 32 | Very low | 100 Ų | 100 | 129.8 Ų | 129.8 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | | | trans | -50 | 142.5 | 179.3 | -161.3 | 0 | 0 | 0 | 0 | 112.5 | G191 | S189-G191 PolarHBondContact O-N 2.95Š|
| 190 | P | 31 | Very low | 32 | Very low | 136 Ų | 136 | 129.8 Ų | 129.8 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -72.6 | 100.1 | 178.3 | 28.8 | -31.9 | 0 | 0 | 0 | 110.1 | | |
| 191 | G | 27.7 | Very low | 32 | Very low | 75 Ų | 75 | 134.2 Ų | 134.2 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | | | trans | -157 | 120.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | S189 | S189-G191 PolarHBondContact O-N 2.95Š|
| 192 | G | 30 | Very low | 32.1 | Very low | 76 Ų | 76 | 134.2 Ų | 134.2 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | | | trans | 119.4 | 78.9 | 163.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | T194 | G192-T194 PolarHBondContact O-N 2.85Š|
| 193 | L | 30.1 | Very low | 31.8 | Very low | 168 Ų | 168 | 133.2 Ų | 133.2 | 88% | 0.88 | 80% | 0.802 | S | S | * | * | | | trans | -48.6 | 128 | 151.3 | -72.2 | 153.2 | 0 | 0 | 0 | 110.1 | | |
| 194 | T | 33.1 | Very low | 31.7 | Very low | 134 Ų | 134 | 128.9 Ų | 128.9 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | | | trans | -170.3 | 100.1 | 134.9 | 35.4 | 0 | 0 | 0 | 0 | 108.5 | G192 S196 | G192-T194 PolarHBondContact O-N 2.85Å; T194-S196 PolarHBondContact O-N 2.73Å; T194-S196 VanDerWaalsContact O-N 3.09Å |
| 195 | I | 36.1 | Very low | 31.8 | Very low | 155 Ų | 155 | 131.4 Ų | 131.4 | 80% | 0.795 | 80% | 0.804 | S | S | * | * | | | trans | -76.5 | 92.2 | 168.7 | -59.5 | 170.5 | 0 | 0 | 0 | 106.4 | C197 | I195-C197 VanDerWaalsContact C-N 3.33Å; I195-C197 HydrophobicContact CG2-CB 4.33Å; I195-C197 PolarHBondContact O-N 3.07Å |
| 196 | S | 30.2 | Very low | 32 | Very low | 108 Ų | 108 | 134.3 Ų | 134.3 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | | | trans | -83.7 | 83 | 163.2 | 56.9 | 0 | 0 | 0 | 0 | 108.3 | T194 S198 | T194-S196 PolarHBondContact O-N 2.73Å; T194-S196 VanDerWaalsContact O-N 3.09Å; S196-S198 PolarHBondContact O-N 3.48Å; S196-S198 VanDerWaalsContact O-N 3.07Å |
| 197 | C | 31.6 | Very low | 32.1 | Very low | 110 Ų | 110 | 131.7 Ų | 131.7 | 74% | 0.743 | 81% | 0.809 | S | S | * | * | | | trans | -71.9 | 96.3 | 167.7 | -105.2 | 0 | 0 | 0 | 0 | 108.5 | I195 V199 | I195-C197 VanDerWaalsContact C-N 3.33Å; I195-C197 HydrophobicContact CG2-CB 4.33Å; I195-C197 PolarHBondContact O-N 3.07Å; C197-V199 PolarHBondContact O-N 2.92Å |
| 198 | S | 32.3 | Very low | 32.1 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | -67 | 110.6 | 168.2 | 41.5 | 0 | 0 | 0 | 0 | 109.7 | S196 A200 | S196-S198 PolarHBondContact O-N 3.48Å; S196-S198 VanDerWaalsContact O-N 3.07Å; S198-A200 PolarHBondContact O-N 3.37Å |
| 199 | V | 30.2 | Very low | 31.9 | Very low | 132 Ų | 132 | 128.3 Ų | 128.3 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | | | trans | -61.7 | 105.2 | 173.4 | 172.9 | 0 | 0 | 0 | 0 | 109.8 | C197 K201 | C197-V199 PolarHBondContact O-N 2.92Å; V199-K201 HydrophobicContact CG1-CB 4.45Å; V199-K201 PolarHBondContact O-N 2.96Å |
| 200 | A | 34.6 | Very low | 32.2 | Very low | 99 Ų | 99 | 132.1 Ų | 132.1 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | -86.6 | 92.7 | 162.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | S198 M202 | S198-A200 PolarHBondContact O-N 3.37Å; A200-M202 PolarHBondContact O-N 3.22Å; A200-M202 VanDerWaalsContact O-N 3.08Å |
| 201 | K | 29.8 | Very low | 32.4 | Very low | 193 Ų | 193 | 132 Ų | 132 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | | | trans | -65.1 | 93.4 | 173.5 | -176.1 | 177.6 | -178.8 | 177.1 | 0 | 109.6 | V199 | V199-K201 HydrophobicContact CG1-CB 4.45Å; V199-K201 PolarHBondContact O-N 2.96Å |
| 202 | M | 34.3 | Very low | 32.7 | Very low | 191 Ų | 191 | 133.8 Ų | 133.8 | 94% | 0.941 | 79% | 0.793 | S | S | * | * | | | trans | -100.6 | 113 | 160.7 | -97.5 | -177.4 | 164 | 0 | 0 | 109.5 | A200 | A200-M202 PolarHBondContact O-N 3.22Å; A200-M202 VanDerWaalsContact O-N 3.08Å |
| 203 | A | 31 | Very low | 33 | Very low | 88 Ų | 88 | 134.5 Ų | 134.5 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | trans | -69.1 | 134.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 204 | S | 27.3 | Very low | 33.2 | Very low | 94 Ų | 94 | 134.9 Ų | 134.9 | 66% | 0.657 | 78% | 0.78 | S | S | * | * | | | | 58.5 | 110.7 | 127 | -177.4 | 0 | 0 | 0 | 0 | 118.9 | | |
| 205 | T | 36.5 | Very low | 33.3 | Very low | 145 Ų | 145 | 135 Ų | 135 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | | | | -140.4 | 113.7 | 123 | -12.3 | 0 | 0 | 0 | 0 | 108.2 | A207 | T205-A207 PolarHBondContact O-N 3.46Š|
| 206 | Y | 33.1 | Very low | 33.4 | Very low | 218 Ų | 218 | 136.5 Ų | 136.5 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | | | trans | -47.4 | 117.8 | 176.4 | -118.6 | -114.8 | 0 | 0 | 0 | 111.2 | | |
| 207 | A | 36.4 | Very low | 33.9 | Very low | 94 Ų | 94 | 136.8 Ų | 136.8 | 78% | 0.777 | 78% | 0.776 | S | S | * | * | | | trans | -110.3 | 106.9 | 157.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | T205 S209 | T205-A207 PolarHBondContact O-N 3.46Å; A207-S209 PolarHBondContact O-N 2.98Å |
| 208 | E | 31.4 | Very low | 33.9 | Very low | 160 Ų | 160 | 139.8 Ų | 139.8 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | | | trans | -54.4 | 122.5 | -170.9 | -166.6 | 179.6 | 161.7 | 0 | 0 | 112.8 | K210 | E208-K210 PolarHBondContact O-N 3.41Š|
| 209 | S | 31.6 | Very low | 34.2 | Very low | 102 Ų | 102 | 143.4 Ų | 143.4 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | | | trans | -75.9 | 114.6 | 175.3 | -43.1 | 0 | 0 | 0 | 0 | 109.9 | A207 | A207-S209 PolarHBondContact O-N 2.98Š|
| 210 | K | 38.7 | Very low | 34.4 | Very low | 179 Ų | 179 | 141.4 Ų | 141.4 | 78% | 0.778 | 77% | 0.768 | S | S | * | * | | | trans | -96.3 | 93.6 | 159.8 | -72.3 | -168.6 | 179.6 | -176.9 | 0 | 109 | E208 V212 | E208-K210 PolarHBondContact O-N 3.41Å; K210-V212 PolarHBondContact O-N 3.47Å |
| 211 | T | 35.3 | Very low | 34.2 | Very low | 134 Ų | 134 | 141.2 Ų | 141.2 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | | | trans | -71.1 | 105.2 | 171.8 | -26.3 | 0 | 0 | 0 | 0 | 108.1 | S213 | T211-S213 PolarHBondContact O-N 3.49Š|
| 212 | V | 33.9 | Very low | 34.4 | Very low | 113 Ų | 113 | 139.1 Ų | 139.1 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | | | trans | -81.6 | 112.9 | 172.4 | 177.7 | 0 | 0 | 0 | 0 | 107.7 | K210 F214 | K210-V212 PolarHBondContact O-N 3.47Å; V212-F214 HydrophobicContact CG1-CD2 4.25Å; V212-F214 HydrophobicContact CG1-CE2 4.27Å; V212-F214 PolarHBondContact O-N 3Å; V212-F214 VanDerWaalsContact O-N 3.14Å |
| 213 | S | 35.1 | Very low | 34.3 | Very low | 90 Ų | 90 | 134.5 Ų | 134.5 | 63% | 0.629 | 75% | 0.745 | S | S | * | * | | | trans | -66.6 | 103.9 | 175.5 | 178.6 | 0 | 0 | 0 | 0 | 110.3 | T211 N215 | T211-S213 PolarHBondContact O-N 3.49Å; S213-N215 PolarHBondContact O-N 2.87Å |
| 214 | F | 35.6 | Very low | 34.3 | Very low | 176 Ų | 176 | 135 Ų | 135 | 77% | 0.772 | 74% | 0.742 | S | S | * | * | | | trans | -86.3 | 98.1 | 164.5 | -99.3 | -91.8 | 0 | 0 | 0 | 108.9 | V212 F216 | V212-F214 HydrophobicContact CG1-CD2 4.25Å; V212-F214 HydrophobicContact CG1-CE2 4.27Å; V212-F214 PolarHBondContact O-N 3Å; V212-F214 VanDerWaalsContact O-N 3.14Å; F214-F216 PolarHBondContact O-N 3.26Å |
| 215 | N | 35 | Very low | 34.5 | Very low | 138 Ų | 138 | 139.3 Ų | 139.3 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | | | trans | -69.8 | 108.4 | 167.1 | -74.6 | -56.1 | 0 | 0 | 0 | 108.3 | S213 P217 | S213-N215 PolarHBondContact O-N 2.87Å; N215-P217 WeakPolarHBondContact O-CD 3.43Å |
| 216 | F | 36.7 | Very low | 34.4 | Very low | 185 Ų | 185 | 138.6 Ų | 138.6 | 81% | 0.811 | 75% | 0.746 | S | S | * | * | | | trans | -69.1 | 124.1 | 165.4 | -84.4 | -91.2 | 0 | 0 | 0 | 108.6 | F214 E218 | F214-F216 PolarHBondContact O-N 3.26Å; F216-E218 VanDerWaalsContact C-N 3.33Å; F216-E218 PolarHBondContact O-N 2.93Å |
| 217 | P | 40.9 | Very low | 34.4 | Very low | 114 Ų | 114 | 133 Ų | 133 | 74% | 0.74 | 74% | 0.735 | S | S | * | * | | | trans | -70.1 | 99.5 | 160.8 | 27.2 | -28.2 | 0 | 0 | 0 | 107.3 | N215 K219 | N215-P217 WeakPolarHBondContact O-CD 3.43Å; P217-K219 PolarHBondContact O-N 2.86Å |
| 218 | E | 32.9 | Very low | 34.3 | Very low | 174 Ų | 174 | 133.6 Ų | 133.6 | 81% | 0.813 | 73% | 0.733 | S | S | * | * | | | trans | -63.2 | 73.1 | 168.7 | -163.4 | 178.5 | -169 | 0 | 0 | 109.2 | F216 V220 | F216-E218 VanDerWaalsContact C-N 3.33Å; F216-E218 PolarHBondContact O-N 2.93Å; E218-V220 VanDerWaalsContact C-N 3.26Å; E218-V220 HydrophobicContact CG-CG2 3.85Å; E218-V220 PolarHBondContact O-N 2.82Å; E218-V220 VanDerWaalsContact O-N 3.12Å |
| 219 | K | 37.9 | Very low | 34.4 | Very low | 193 Ų | 193 | 130.3 Ų | 130.3 | 84% | 0.839 | 73% | 0.728 | S | S | * | * | | | trans | -83 | 84 | 166.7 | -75.5 | -121 | -178.3 | -179 | 0 | 107.2 | P217 C221 | P217-K219 PolarHBondContact O-N 2.86Å; K219-C221 PolarHBondContact O-N 3.24Å |
| 220 | V | 33.7 | Very low | 34.4 | Very low | 89 Ų | 89 | 130.4 Ų | 130.4 | 54% | 0.539 | 72% | 0.724 | S | S | . | * | | | trans | -58.1 | 88.5 | 164.8 | -172.4 | 0 | 0 | 0 | 0 | 108.1 | E218 N222 | E218-V220 VanDerWaalsContact C-N 3.26Å; E218-V220 HydrophobicContact CG-CG2 3.85Å; E218-V220 PolarHBondContact O-N 2.82Å; E218-V220 VanDerWaalsContact O-N 3.12Å; V220-N222 VanDerWaalsContact C-N 3.26Å; V220-N222 HydrophobicContact CG1-CB 4.37Å; V220-N222 WeakPolarHBondContact CG1-ND2 3.48Å; V220-N222 WeakPolarHBondContact CG1-OD1 3.34Å; V220-N222 PolarHBondContact O-N 2.97Å |
| 221 | C | 31.1 | Very low | 34.1 | Very low | 96 Ų | 96 | 126.3 Ų | 126.3 | 65% | 0.649 | 72% | 0.718 | S | S | * | * | | | trans | -80.5 | 81.7 | 169.9 | -163.8 | 0 | 0 | 0 | 0 | 107.9 | K219 S223 | K219-C221 PolarHBondContact O-N 3.24Å; C221-S223 PolarHBondContact O-N 3.29Å |
| 222 | N | 33.9 | Very low | 34.1 | Very low | 149 Ų | 149 | 126.8 Ų | 126.8 | 80% | 0.797 | 72% | 0.716 | S | S | * | * | | | trans | -71.6 | 28.3 | 177.3 | -87.6 | -14.6 | 0 | 0 | 0 | 114 | V220 | V220-N222 VanDerWaalsContact C-N 3.26Å; V220-N222 HydrophobicContact CG1-CB 4.37Å; V220-N222 WeakPolarHBondContact CG1-ND2 3.48Å; V220-N222 WeakPolarHBondContact CG1-OD1 3.34Å; V220-N222 PolarHBondContact O-N 2.97Å |
| 223 | S | 33 | Very low | 34.1 | Very low | 94 Ų | 94 | 126 Ų | 126 | 66% | 0.657 | 71% | 0.712 | S | S | * | * | | | trans | -151.8 | 55.6 | -176.3 | 70 | 0 | 0 | 0 | 0 | 113.1 | C221 | C221-S223 PolarHBondContact O-N 3.29Š|
| 224 | C | 31.3 | Very low | 34.3 | Very low | 99 Ų | 99 | 127.9 Ų | 127.9 | 67% | 0.669 | 72% | 0.721 | S | S | * | * | | | trans | -139.8 | 73.3 | 155.9 | -77.8 | 0 | 0 | 0 | 0 | 107 | V226 | C224-V226 HydrophobicContact CB-CG2 4.25Å; C224-V226 PolarHBondContact O-N 2.97Å |
| 225 | Q | 31.3 | Very low | 34.4 | Very low | 184 Ų | 184 | 126.9 Ų | 126.9 | 86% | 0.86 | 72% | 0.719 | S | S | * | * | | | trans | -61.5 | 90.9 | 151.4 | -73.2 | -176.1 | -1.9 | 0 | 0 | 105.6 | T227 | Q225-T227 PolarHBondContact O-N 3.32Š|
| 226 | V | 32.7 | Very low | 34.6 | Very low | 129 Ų | 129 | 129.4 Ų | 129.4 | 78% | 0.782 | 72% | 0.724 | S | S | * | * | | | trans | -72 | 82.6 | 166.5 | -179 | 0 | 0 | 0 | 0 | 104.6 | C224 S228 | C224-V226 HydrophobicContact CB-CG2 4.25Å; C224-V226 PolarHBondContact O-N 2.97Å; V226-S228 VanDerWaalsContact C-N 3.3Å; V226-S228 PolarHBondContact O-N 3.25Å |
| 227 | T | 35.1 | Very low | 34.8 | Very low | 101 Ų | 101 | 131.9 Ų | 131.9 | 62% | 0.62 | 73% | 0.728 | S | S | * | * | | | trans | -60.6 | 105.1 | 163.9 | 50.3 | 0 | 0 | 0 | 0 | 105.6 | Q225 S229 | Q225-T227 PolarHBondContact O-N 3.32Å; T227-S229 PolarHBondContact O-N 3Å |
| 228 | S | 32.7 | Very low | 34.8 | Very low | 106 Ų | 106 | 135.3 Ų | 135.3 | 74% | 0.741 | 73% | 0.731 | S | S | * | * | | | trans | -60.4 | 75.7 | 164.3 | 174.2 | 0 | 0 | 0 | 0 | 108.2 | V226 V230 | V226-S228 VanDerWaalsContact C-N 3.3Å; V226-S228 PolarHBondContact O-N 3.25Å; S228-V230 VanDerWaalsContact C-N 3.34Å |
| 229 | S | 33.7 | Very low | 35 | Very low | 91 Ų | 91 | 138.6 Ų | 138.6 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | | | trans | -95.8 | 78.6 | 161.8 | 58.7 | 0 | 0 | 0 | 0 | 105.8 | T227 S231 | T227-S229 PolarHBondContact O-N 3Å; S229-S231 PolarHBondContact O-N 3.44Å |
| 230 | V | 32.7 | Very low | 35.2 | Very low | 104 Ų | 104 | 135.3 Ų | 135.3 | 63% | 0.63 | 73% | 0.732 | S | S | * | * | | | trans | -66.5 | 86.1 | 158 | 179.9 | 0 | 0 | 0 | 0 | 105.4 | S228 N232 | S228-V230 VanDerWaalsContact C-N 3.34Å; V230-N232 VanDerWaalsContact C-N 3.28Å; V230-N232 PolarHBondContact O-N 3.26Å |
| 231 | S | 32.8 | Very low | 35.7 | Very low | 93 Ų | 93 | 134.5 Ų | 134.5 | 65% | 0.65 | 73% | 0.73 | S | S | * | * | | | trans | -67.1 | 95.1 | 168.3 | 50.6 | 0 | 0 | 0 | 0 | 107 | S229 T233 | S229-S231 PolarHBondContact O-N 3.44Å; S231-T233 PolarHBondContact O-N 3.47Å |
| 232 | N | 33.3 | Very low | 36.2 | Very low | 145 Ų | 145 | 137 Ų | 137 | 78% | 0.775 | 74% | 0.736 | S | S | * | * | | | trans | -69.4 | 64.9 | 166 | -77.8 | -39.3 | 0 | 0 | 0 | 109.3 | V230 P234 | V230-N232 VanDerWaalsContact C-N 3.28Å; V230-N232 PolarHBondContact O-N 3.26Å; N232-P234 WeakPolarHBondContact O-CD 3.34Å |
| 233 | T | 34.6 | Very low | 36.4 | Very low | 97 Ų | 97 | 136.9 Ų | 136.9 | 60% | 0.595 | 73% | 0.73 | S | S | * | * | | | trans | -106.3 | 105.8 | 164.6 | 40.8 | 0 | 0 | 0 | 0 | 108.2 | S231 E235 | S231-T233 PolarHBondContact O-N 3.47Å; T233-E235 PolarHBondContact O-N 2.81Å |
| 234 | P | 39.8 | Very low | 36.8 | Very low | 128 Ų | 128 | 139.4 Ų | 139.4 | 83% | 0.831 | 74% | 0.736 | S | S | * | * | | | trans | -77.2 | 61.9 | 173.8 | 32.4 | -33 | 0 | 0 | 0 | 109.5 | N232 | N232-P234 WeakPolarHBondContact O-CD 3.34Š|
| 235 | E | 37.6 | Very low | 37.3 | Very low | 155 Ų | 155 | 141.2 Ų | 141.2 | 72% | 0.724 | 74% | 0.738 | S | S | * | * | | | trans | -105.6 | 93.5 | 174.8 | -75.6 | -163.9 | 166.3 | 0 | 0 | 109 | T233 | T233-E235 PolarHBondContact O-N 2.81Š|
| 236 | F | 39.9 | Very low | 37.6 | Very low | 192 Ų | 192 | 141.1 Ų | 141.1 | 84% | 0.842 | 74% | 0.738 | S | S | * | * | | | trans | 161.3 | 70.8 | 141.2 | -85.2 | -67.3 | 0 | 0 | 0 | 105.2 | K238 | F236-K238 PolarHBondContact O-N 3.23Š|
| 237 | R | 40.3 | Very low | 38.1 | Very low | 237 Ų | 237 | 141.7 Ų | 141.7 | 89% | 0.894 | 73% | 0.732 | S | S | * | * | | | trans | -58.4 | 86.1 | 150.9 | -74.9 | -171.8 | -179.6 | -178.4 | 2 | 106 | R239 | R237-R239 PolarHBondContact O-N 2.93Š|
| 238 | K | 39.9 | Very low | 38.3 | Very low | 185 Ų | 185 | 141.4 Ų | 141.4 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | | | trans | -50.5 | 112.3 | 157.1 | -94.3 | -179.3 | 175.5 | 175.9 | 0 | 104 | F236 V240 | F236-K238 PolarHBondContact O-N 3.23Å; K238-V240 PolarHBondContact O-N 3.47Å |
| 239 | R | 38.8 | Very low | 38.8 | Very low | 243 Ų | 243 | 143.3 Ų | 143.3 | 92% | 0.917 | 73% | 0.734 | S | S | * | * | | | trans | -57.6 | 96.3 | 171.6 | -65.4 | -173.1 | -176.2 | -159.8 | 2.1 | 105.3 | R237 S241 | R237-R239 PolarHBondContact O-N 2.93Å; R239-S241 PolarHBondContact O-N 3.24Å |
| 240 | V | 41.1 | Very low | 39.1 | Very low | 125 Ų | 125 | 142.7 Ų | 142.7 | 76% | 0.758 | 73% | 0.728 | S | S | * | * | | | trans | -68.7 | 98.4 | 166.2 | -177.5 | 0 | 0 | 0 | 0 | 103.1 | K238 I242 | K238-V240 PolarHBondContact O-N 3.47Å; V240-I242 PolarHBondContact O-N 2.93Å |
| 241 | S | 43.7 | Very low | 39.5 | Very low | 72 Ų | 72 | 148.8 Ų | 148.8 | 50% | 0.503 | 74% | 0.74 | S | S | . | * | | | trans | -61.3 | 105.4 | 171.4 | -172.3 | 0 | 0 | 0 | 0 | 106 | R239 H243 | R239-S241 PolarHBondContact O-N 3.24Å; S241-H243 PolarHBondContact O-N 3.16Å; S241-H243 PolarHBondContact OG-CD2 2.88Å; S241-H243 PolarHBondContact OG-CE1 3.08Å; S241-H243 PolarHBondContact OG-NE2 3.21Å |
| 242 | I | 43.3 | Very low | 39.9 | Very low | 148 Ų | 148 | 154.5 Ų | 154.5 | 76% | 0.759 | 75% | 0.749 | S | S | * | * | | | trans | -75.8 | 73 | 169.5 | -41.3 | 172.6 | 0 | 0 | 0 | 104.5 | V240 N244 | V240-I242 PolarHBondContact O-N 2.93Å; I242-N244 PolarHBondContact O-N 2.95Å; I242-N244 VanDerWaalsContact O-N 3.08Å |
| 243 | H | 37.3 | Very low | 40.3 | Very low | 147 Ų | 147 | 151.9 Ų | 151.9 | 68% | 0.681 | 74% | 0.742 | S | S | * | * | | | trans | -60.2 | 116.9 | 158.7 | -68 | -64.8 | 0 | 0 | 0 | 104.4 | S241 L245 | S241-H243 PolarHBondContact O-N 3.16Å; S241-H243 PolarHBondContact OG-CD2 2.88Å; S241-H243 PolarHBondContact OG-CE1 3.08Å; S241-H243 PolarHBondContact OG-NE2 3.21Å; H243-L245 PolarHBondContact O-N 2.73Å |
| 244 | N | 41.2 | Very low | 40.4 | Very low | 147 Ų | 147 | 157.4 Ų | 157.4 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | | | trans | -52.3 | 96.9 | 166.1 | -75.6 | -35.7 | 0 | 0 | 0 | 105.8 | I242 E246 | I242-N244 PolarHBondContact O-N 2.95Å; I242-N244 VanDerWaalsContact O-N 3.08Å; N244-E246 PolarHBondContact O-N 3.22Å |
| 245 | L | 41.6 | Very low | 40.4 | Very low | 137 Ų | 137 | 156.9 Ų | 156.9 | 72% | 0.717 | 75% | 0.752 | S | S | * | * | | | trans | -70.9 | 69.9 | 161.5 | -80 | 154.3 | 0 | 0 | 0 | 105.2 | H243 E247 | H243-L245 PolarHBondContact O-N 2.73Å; L245-E247 HydrophobicContact CB-CB 4.21Å; L245-E247 HydrophobicContact CD2-CB 3.77Å; L245-E247 HydrophobicContact CD2-CG 4.16Å; L245-E247 PolarHBondContact O-N 3.44Å |
| 246 | E | 38.8 | Very low | 40.2 | Very low | 182 Ų | 182 | 155.5 Ų | 155.5 | 85% | 0.85 | 75% | 0.754 | S | S | * | * | | | trans | -64.3 | 66.9 | 130.7 | -76 | -164 | 158 | 0 | 0 | 105.9 | N244 S248 | N244-E246 PolarHBondContact O-N 3.22Å; E246-S248 PolarHBondContact O-N 3.15Å |
| 247 | E | 41.9 | Very low | 40.1 | Very low | 140 Ų | 140 | 154.7 Ų | 154.7 | 65% | 0.654 | 76% | 0.758 | S | S | * | * | | | trans | -70.9 | 85 | 162.3 | -160.9 | 168.3 | -170 | 0 | 0 | 103.1 | L245 I249 | L245-E247 HydrophobicContact CB-CB 4.21Å; L245-E247 HydrophobicContact CD2-CB 3.77Å; L245-E247 HydrophobicContact CD2-CG 4.16Å; L245-E247 PolarHBondContact O-N 3.44Å; E247-I249 PolarHBondContact O-N 3.39Å |
| 248 | S | 38.9 | Very low | 40 | Very low | 96 Ų | 96 | 148.8 Ų | 148.8 | 67% | 0.671 | 75% | 0.748 | S | S | * | * | | | trans | -42.3 | 110.2 | 165.8 | 56.2 | 0 | 0 | 0 | 0 | 105.6 | E246 P250 | E246-S248 PolarHBondContact O-N 3.15Å; S248-P250 VanDerWaalsContact O-CD 3.23Å; S248-P250 WeakPolarHBondContact O-CD 3.39Å |
| 249 | I | 43.5 | Very low | 39.9 | Very low | 145 Ų | 145 | 145.3 Ų | 145.3 | 74% | 0.744 | 75% | 0.747 | S | S | * | * | | | trans | -44.3 | 116.3 | 172.3 | -63.1 | 170.4 | 0 | 0 | 0 | 104.7 | E247 R251 | E247-I249 PolarHBondContact O-N 3.39Å; I249-R251 PolarHBondContact O-N 3.37Å |
| 250 | P | 41.4 | Very low | 39.8 | Very low | 78 Ų | 78 | 141.9 Ų | 141.9 | 51% | 0.506 | 75% | 0.746 | S | S | . | * | | | trans | -54.1 | 109.3 | -179 | -25 | 32.5 | 0 | 0 | 0 | 106.1 | S248 Y252 | S248-P250 VanDerWaalsContact O-CD 3.23Å; S248-P250 WeakPolarHBondContact O-CD 3.39Å; P250-Y252 WeakPolarHBondContact O-CD2 3.31Å; P250-Y252 PolarHBondContact O-N 3.33Å |
| 251 | R | 39.3 | Very low | 39.4 | Very low | 233 Ų | 233 | 142.9 Ų | 142.9 | 88% | 0.879 | 75% | 0.747 | S | S | * | * | | | trans | -58.2 | 105.9 | 163.5 | -78.4 | -175.4 | -179.3 | 166.5 | 1.1 | 102.7 | I249 S253 | I249-R251 PolarHBondContact O-N 3.37Å; R251-S253 PolarHBondContact O-N 3.38Å |
| 252 | Y | 41.1 | Very low | 39.2 | Very low | 213 Ų | 213 | 144.6 Ų | 144.6 | 84% | 0.835 | 76% | 0.757 | S | S | * | * | | | trans | -62.3 | 83.7 | 171 | -69.2 | -83.8 | 0 | 0 | 0 | 106.4 | P250 K254 | P250-Y252 WeakPolarHBondContact O-CD2 3.31Å; P250-Y252 PolarHBondContact O-N 3.33Å; Y252-K254 PolarHBondContact O-N 3.31Å |
| 253 | S | 43.1 | Very low | 38.8 | Very low | 89 Ų | 89 | 146.6 Ų | 146.6 | 62% | 0.622 | 76% | 0.763 | S | S | * | * | | | trans | -59.5 | 117.7 | 160.8 | -56.3 | 0 | 0 | 0 | 0 | 104.2 | R251 T255 | R251-S253 PolarHBondContact O-N 3.38Å; S253-T255 PolarHBondContact O-N 3.04Å; S253-T255 PolarHBondContact O-OG1 3.28Å |
| 254 | K | 36.9 | Very low | 38.9 | Very low | 214 Ų | 214 | 146.1 Ų | 146.1 | 93% | 0.93 | 77% | 0.77 | S | S | * | * | | | trans | -66 | 70.9 | 177.9 | -151.8 | 175.6 | -170.9 | 179 | 0 | 107.9 | Y252 T256 | Y252-K254 PolarHBondContact O-N 3.31Å; K254-T256 PolarHBondContact O-N 3.39Å |
| 255 | T | 38.4 | Very low | 38.7 | Very low | 117 Ų | 117 | 143.6 Ų | 143.6 | 72% | 0.718 | 77% | 0.77 | S | S | * | * | | | trans | -82.1 | 113.3 | 175.3 | 38.7 | 0 | 0 | 0 | 0 | 107.6 | S253 L257 | S253-T255 PolarHBondContact O-N 3.04Å; S253-T255 PolarHBondContact O-OG1 3.28Å; T255-L257 PolarHBondContact O-N 2.84Å; T255-L257 VanDerWaalsContact O-N 3.13Å |
| 256 | T | 34.3 | Very low | 38.4 | Very low | 125 Ų | 125 | 142.4 Ų | 142.4 | 77% | 0.767 | 77% | 0.773 | S | S | * | * | | | trans | -41.8 | 116.4 | 168.2 | -48.8 | 0 | 0 | 0 | 0 | 109.1 | K254 T258 | K254-T256 PolarHBondContact O-N 3.39Å; T256-T258 PolarHBondContact O-N 2.85Å; T256-T258 PolarHBondContact O-OG1 3.08Å |
| 257 | L | 38.1 | Very low | 38.1 | Very low | 176 Ų | 176 | 139.9 Ų | 139.9 | 92% | 0.921 | 77% | 0.77 | S | S | * | * | | | trans | -67.7 | 84.3 | 173.6 | -78.2 | 164.9 | 0 | 0 | 0 | 108.5 | T255 S259 | T255-L257 PolarHBondContact O-N 2.84Å; T255-L257 VanDerWaalsContact O-N 3.13Å; L257-S259 PolarHBondContact O-N 3.39Å |
| 258 | T | 37.1 | Very low | 37.8 | Very low | 113 Ų | 113 | 138.5 Ų | 138.5 | 69% | 0.693 | 77% | 0.773 | S | S | * | * | | | trans | -67.7 | 127.7 | 163.1 | -36.3 | 0 | 0 | 0 | 0 | 107.1 | T256 L260 | T256-T258 PolarHBondContact O-N 2.85Å; T256-T258 PolarHBondContact O-OG1 3.08Å; T258-L260 PolarHBondContact O-N 3.06Å |
| 259 | S | 37.5 | Very low | 37.6 | Very low | 112 Ų | 112 | 139 Ų | 139 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | | | trans | -48.2 | 98.3 | -171.3 | 61.4 | 0 | 0 | 0 | 0 | 113.7 | L257 N261 | L257-S259 PolarHBondContact O-N 3.39Å; S259-N261 PolarHBondContact O-N 3.07Å |
| 260 | L | 37.5 | Very low | 37.3 | Very low | 170 Ų | 170 | 139.6 Ų | 139.6 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | | | trans | -84.2 | 106.3 | 165 | -71.3 | 173.9 | 0 | 0 | 0 | 107.9 | T258 | T258-L260 PolarHBondContact O-N 3.06Š|
| 261 | N | 33.2 | Very low | 36.7 | Very low | 146 Ų | 146 | 140.8 Ų | 140.8 | 78% | 0.781 | 80% | 0.796 | S | S | * | * | | | trans | -57.6 | 126.8 | 178.6 | -155.4 | -7.5 | 0 | 0 | 0 | 109.4 | S259 Q263 | S259-N261 PolarHBondContact O-N 3.07Å; N261-Q263 PolarHBondContact O-N 2.97Å |
| 262 | P | 38 | Very low | 36.4 | Very low | 108 Ų | 108 | 137.5 Ų | 137.5 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | | | trans | -65.1 | 105.7 | -178.2 | 24.1 | -33.2 | 0 | 0 | 0 | 110.3 | V264 | P262-V264 PolarHBondContact O-N 2.94Š|
| 263 | Q | 35.8 | Very low | 36 | Very low | 190 Ų | 190 | 130.9 Ų | 130.9 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | | | trans | -65 | 117.3 | 162.3 | -84.5 | -174.6 | -16.1 | 0 | 0 | 108 | N261 A265 | N261-Q263 PolarHBondContact O-N 2.97Å; Q263-A265 PolarHBondContact O-N 2.63Å |
| 264 | V | 39.8 | Very low | 35.4 | Very low | 137 Ų | 137 | 134.1 Ų | 134.1 | 83% | 0.83 | 80% | 0.796 | S | S | * | * | | | trans | -62.4 | 104.5 | 176.8 | -175.9 | 0 | 0 | 0 | 0 | 107.8 | P262 S266 | P262-V264 PolarHBondContact O-N 2.94Å; V264-S266 PolarHBondContact O-N 2.98Å |
| 265 | A | 36.6 | Very low | 35.2 | Very low | 94 Ų | 94 | 129.4 Ų | 129.4 | 78% | 0.777 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 120.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q263 | Q263-A265 PolarHBondContact O-N 2.63Š|
| 266 | S | 34.2 | Very low | 34.7 | Very low | 112 Ų | 112 | 132.5 Ų | 132.5 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 134.9 | 179.4 | -55.9 | 0 | 0 | 0 | 0 | 112 | V264 | V264-S266 PolarHBondContact O-N 2.98Š|
| 267 | T | 34 | Very low | 34.6 | Very low | 130 Ų | 130 | 134.1 Ų | 134.1 | 80% | 0.798 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 130.1 | 178.4 | -22.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 268 | P | 36 | Very low | 34.2 | Very low | 111 Ų | 111 | 132.7 Ų | 132.7 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 134.4 | 168.6 | -15.2 | 28.5 | 0 | 0 | 0 | 110.3 | I270 | P268-I270 PolarHBondContact O-N 2.88Š|
| 269 | A | 33 | Very low | 34 | Very low | 105 Ų | 105 | 132.7 Ų | 132.7 | 87% | 0.868 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 117.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | S271 | A269-S271 PolarHBondContact O-N 2.92Š|
| 270 | I | 37.3 | Very low | 33.8 | Very low | 159 Ų | 159 | 133.1 Ų | 133.1 | 82% | 0.815 | 79% | 0.79 | S | S | * | * | | | trans | -79.2 | 114.3 | 175.2 | -38.8 | 171.6 | 0 | 0 | 0 | 106.4 | P268 | P268-I270 PolarHBondContact O-N 2.88Š|
| 271 | S | 30.6 | Very low | 33.5 | Very low | 102 Ų | 102 | 133.5 Ų | 133.5 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | | | trans | -71.5 | 128 | 176.4 | 57.1 | 0 | 0 | 0 | 0 | 110.2 | A269 A273 | A269-S271 PolarHBondContact O-N 2.92Å; S271-A273 PolarHBondContact O-N 2.8Å |
| 272 | N | 31.9 | Very low | 33.4 | Very low | 165 Ų | 165 | 129.9 Ų | 129.9 | 88% | 0.882 | 79% | 0.787 | S | S | * | * | | | trans | -66.2 | 92 | 168.8 | -68.7 | -24 | 0 | 0 | 0 | 109.9 | | |
| 273 | A | 32.9 | Very low | 32.9 | Very low | 74 Ų | 74 | 130 Ų | 130 | 61% | 0.612 | 79% | 0.789 | S | S | * | * | | | trans | -113.4 | 100.4 | 164.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | S271 T275 | S271-A273 PolarHBondContact O-N 2.8Å; A273-T275 PolarHBondContact O-N 2.82Å; A273-T275 PolarHBondContact O-OG1 3.03Å |
| 274 | N | 31 | Very low | 32.8 | Very low | 157 Ų | 157 | 129.5 Ų | 129.5 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | | | trans | -49.7 | 107.2 | 167.9 | -62.1 | -30.9 | 0 | 0 | 0 | 108.2 | | |
| 275 | T | 32.3 | Very low | 32.6 | Very low | 115 Ų | 115 | 127.7 Ų | 127.7 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | | | trans | -121.8 | 89.7 | 164.1 | -29.2 | 0 | 0 | 0 | 0 | 106.2 | A273 L277 | A273-T275 PolarHBondContact O-N 2.82Å; A273-T275 PolarHBondContact O-OG1 3.03Å; T275-L277 PolarHBondContact O-N 3.06Å |
| 276 | E | 27.8 | Very low | 32.7 | Very low | 181 Ų | 181 | 131.1 Ų | 131.1 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | | | trans | -59.8 | 87.1 | 162.8 | -65 | 174.5 | 163.1 | 0 | 0 | 107.9 | | |
| 277 | L | 32.6 | Very low | 32.8 | Very low | 159 Ų | 159 | 131.7 Ų | 131.7 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | | | trans | -111.8 | 87.8 | 159.6 | -98 | 165.3 | 0 | 0 | 0 | 108.6 | T275 | T275-L277 PolarHBondContact O-N 3.06Š|
| 278 | L | 29.7 | Very low | 32.8 | Very low | 146 Ų | 146 | 131.1 Ų | 131.1 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | | | trans | -24.9 | 126.5 | 155.7 | -70.6 | 159.6 | 0 | 0 | 0 | 114.9 | | |
| 279 | T | 31.9 | Very low | 32.8 | Very low | 113 Ų | 113 | 132 Ų | 132 | 69% | 0.693 | 79% | 0.791 | S | S | * | * | | | | 64.3 | 104.5 | 126.3 | -27.9 | 0 | 0 | 0 | 0 | 119.3 | | |
| 280 | S | 34.2 | Very low | 32.9 | Very low | 122 Ų | 122 | 132.7 Ų | 132.7 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | | | | -148.7 | 95.1 | 125.7 | -174.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 281 | M | 31.6 | Very low | 32.8 | Very low | 177 Ų | 177 | 131.7 Ų | 131.7 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | | | trans | -67 | 125.5 | 166.7 | -79.6 | 168.1 | 37.5 | 0 | 0 | 109.3 | | |
| 282 | G | 30 | Very low | 33.1 | Very low | 71 Ų | 71 | 134 Ų | 134 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | | | trans | -163.3 | 59.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 283 | C | 28.2 | Very low | 33.1 | Very low | 111 Ų | 111 | 136.1 Ų | 136.1 | 75% | 0.75 | 78% | 0.783 | S | S | * | * | | | trans | -80.9 | 119.5 | 172.8 | -57.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 284 | H | 34.3 | Very low | 33.3 | Very low | 179 Ų | 179 | 138.6 Ų | 138.6 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | | | trans | -146.2 | 74.9 | 150.7 | -72.8 | -60.8 | 0 | 0 | 0 | 110 | L286 | H284-L286 PolarHBondContact O-N 2.9Š|
| 285 | A | 35.1 | Very low | 33.6 | Very low | 99 Ų | 99 | 135.6 Ų | 135.6 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | -72.3 | 100 | 156.2 | 0 | 0 | 0 | 0 | 0 | 107 | V287 | A285-V287 PolarHBondContact O-N 3.3Š|
| 286 | L | 37.8 | Very low | 33.6 | Very low | 166 Ų | 166 | 138.5 Ų | 138.5 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 118.2 | 174.4 | -75.3 | 170.1 | 0 | 0 | 0 | 109 | H284 | H284-L286 PolarHBondContact O-N 2.9Š|
| 287 | V | 36.1 | Very low | 33.9 | Very low | 123 Ų | 123 | 138.3 Ų | 138.3 | 75% | 0.745 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 138.6 | -179.5 | 175.8 | 0 | 0 | 0 | 0 | 110.4 | A285 T289 | A285-V287 PolarHBondContact O-N 3.3Å; V287-T289 PolarHBondContact O-N 3Å |
| 288 | P | 34.2 | Very low | 33.9 | Very low | 118 Ų | 118 | 141.3 Ų | 141.3 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 125.5 | 177.5 | -20.7 | 30.7 | 0 | 0 | 0 | 111.9 | | |
| 289 | T | 35.7 | Very low | 34.1 | Very low | 130 Ų | 130 | 140.7 Ų | 140.7 | 80% | 0.798 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 138.6 | 174.8 | 39.1 | 0 | 0 | 0 | 0 | 111.7 | V287 | V287-T289 PolarHBondContact O-N 3Š|
| 290 | P | 34.9 | Very low | 34.3 | Very low | 119 Ų | 119 | 143.6 Ų | 143.6 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 142.8 | -174.4 | -18 | 30.2 | 0 | 0 | 0 | 114.5 | N292 | P290-N292 PolarHBondContact O-N 3.26Š|
| 291 | I | 36.7 | Very low | 34.3 | Very low | 138 Ų | 138 | 144.9 Ų | 144.9 | 71% | 0.708 | 79% | 0.788 | S | S | * | * | | | trans | -66.2 | 114.9 | 173.1 | -62.4 | 167.3 | 0 | 0 | 0 | 109.2 | Y293 | I291-Y293 HydrophobicContact CG2-CD2 4.34Å; I291-Y293 HydrophobicContact CG2-CE2 4.11Å; I291-Y293 PolarHBondContact O-N 3.32Å |
| 292 | N | 36.7 | Very low | 34.4 | Very low | 150 Ų | 150 | 140.9 Ų | 140.9 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | | | trans | -75.1 | 108.7 | 171.9 | -96.4 | -47.3 | 0 | 0 | 0 | 110.2 | P290 T294 | P290-N292 PolarHBondContact O-N 3.26Å; N292-T294 PolarHBondContact O-N 3.27Å |
| 293 | Y | 31.9 | Very low | 34.7 | Very low | 211 Ų | 211 | 146 Ų | 146 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | | | trans | -81 | 98.2 | 165.4 | -74.2 | -90.9 | 0 | 0 | 0 | 109.3 | I291 S295 | I291-Y293 HydrophobicContact CG2-CD2 4.34Å; I291-Y293 HydrophobicContact CG2-CE2 4.11Å; I291-Y293 PolarHBondContact O-N 3.32Å; Y293-S295 PolarHBondContact O-N 3.21Å |
| 294 | T | 37.8 | Very low | 35 | Very low | 126 Ų | 126 | 147.5 Ų | 147.5 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | | | trans | -86.4 | 98.3 | 167.4 | 44 | 0 | 0 | 0 | 0 | 110.7 | N292 | N292-T294 PolarHBondContact O-N 3.27Š|
| 295 | S | 37.2 | Very low | 34.9 | Very low | 94 Ų | 94 | 146.5 Ų | 146.5 | 66% | 0.657 | 78% | 0.783 | S | S | * | * | | | trans | 18.1 | 120.2 | 145.9 | 59.3 | 0 | 0 | 0 | 0 | 119.8 | Y293 K297 | Y293-S295 PolarHBondContact O-N 3.21Å; S295-K297 PolarHBondContact O-N 2.95Å |
| 296 | I | 31.8 | Very low | 34.8 | Very low | 175 Ų | 175 | 147.2 Ų | 147.2 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | | | trans | -52.3 | 113.4 | 155.8 | -62.5 | 156.4 | 0 | 0 | 0 | 109.7 | | |
| 297 | K | 34.5 | Very low | 34.7 | Very low | 177 Ų | 177 | 144.9 Ų | 144.9 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | | | trans | -150 | 110.4 | 162.2 | -82.5 | -165.4 | 177.8 | -179.7 | 0 | 110.1 | S295 | S295-K297 PolarHBondContact O-N 2.95Š|
| 298 | R | 32.8 | Very low | 34.5 | Very low | 223 Ų | 223 | 147.9 Ų | 147.9 | 84% | 0.842 | 79% | 0.785 | S | S | * | * | | | | 171.6 | 123.9 | 110.6 | -90.6 | -176.5 | -153 | 113.8 | 3 | 108.3 | | |
| 299 | N | 32.4 | Very low | 34.5 | Very low | 132 Ų | 132 | 149.1 Ų | 149.1 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | | | trans | -65.4 | 136 | 153.3 | 60.2 | 13.3 | 0 | 0 | 0 | 106.9 | | |
| 300 | E | 36.8 | Very low | 34.2 | Very low | 175 Ų | 175 | 150.9 Ų | 150.9 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | trans | -116.1 | 87.2 | 157.8 | -89.4 | -178.9 | 163.5 | 0 | 0 | 104.9 | S302 | E300-S302 PolarHBondContact O-N 2.9Š|
| 301 | N | 34.1 | Very low | 34.1 | Very low | 149 Ų | 149 | 153.3 Ų | 153.3 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | | | trans | -72.9 | 99.4 | 159.5 | -80.9 | 55.2 | 0 | 0 | 0 | 106.9 | | |
| 302 | S | 33.9 | Very low | 33.8 | Very low | 92 Ų | 92 | 151.6 Ų | 151.6 | 64% | 0.643 | 79% | 0.789 | S | S | * | * | | | trans | -160 | 96 | 156.4 | 60.2 | 0 | 0 | 0 | 0 | 109.5 | E300 | E300-S302 PolarHBondContact O-N 2.9Š|
| 303 | H | 36.1 | Very low | 33.4 | Very low | 179 Ų | 179 | 153.1 Ų | 153.1 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | | | trans | -154.3 | 96.9 | 140.5 | -105.2 | -44.3 | 0 | 0 | 0 | 108.9 | | |
| 304 | D | 33.7 | Very low | 33.6 | Very low | 142 Ų | 142 | 148.3 Ų | 148.3 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | | | trans | 40.7 | 109 | 132.7 | -54.9 | -45.1 | 0 | 0 | 0 | 118 | | |
| 305 | D | 32.7 | Very low | 33.3 | Very low | 158 Ų | 158 | 146.9 Ų | 146.9 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | | | trans | -43.8 | 156.8 | 158.2 | -82.7 | -48.8 | 0 | 0 | 0 | 114.7 | | |
| 306 | S | 33.2 | Very low | 33.1 | Very low | 114 Ų | 114 | 149.2 Ų | 149.2 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | | | trans | 90.3 | 81.7 | 155.1 | 79.2 | 0 | 0 | 0 | 0 | 118.1 | | |
| 307 | S | 36.1 | Very low | 33.1 | Very low | 117 Ų | 117 | 147.7 Ų | 147.7 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | -141.7 | 81.8 | 137.7 | 31.2 | 0 | 0 | 0 | 0 | 109 | I309 | S307-I309 PolarHBondContact O-N 2.84Š|
| 308 | Q | 31.6 | Very low | 33 | Very low | 186 Ų | 186 | 144.9 Ų | 144.9 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | | | trans | -73.5 | 100 | 162 | -66.2 | -174.2 | 13.3 | 0 | 0 | 107.5 | | |
| 309 | I | 34.2 | Very low | 32.9 | Very low | 145 Ų | 145 | 139.7 Ų | 139.7 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | | | trans | -115.3 | 100.2 | 157.8 | -63.7 | 177 | 0 | 0 | 0 | 106.1 | S307 E311 | S307-I309 PolarHBondContact O-N 2.84Å; I309-E311 PolarHBondContact O-N 3.01Å |
| 310 | L | 29.5 | Very low | 32.8 | Very low | 166 Ų | 166 | 138.8 Ų | 138.8 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | | | trans | -59.8 | 114 | 162.4 | -86.8 | 148.4 | 0 | 0 | 0 | 108.5 | | |
| 311 | E | 31.9 | Very low | 32.5 | Very low | 170 Ų | 170 | 136 Ų | 136 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | | | trans | -148.8 | 108.3 | 156.4 | -148.3 | 157.9 | -164 | 0 | 0 | 113.8 | I309 | I309-E311 PolarHBondContact O-N 3.01Š|
| 312 | S | 30.7 | Very low | 32.6 | Very low | 102 Ų | 102 | 133.8 Ų | 133.8 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | | | trans | 59.7 | 111.9 | 148 | 92.8 | 0 | 0 | 0 | 0 | 120 | | |
| 313 | H | 29.6 | Very low | 32.3 | Very low | 182 Ų | 182 | 136.2 Ų | 136.2 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | | | trans | -57.5 | 122.8 | 156.9 | -69.1 | -91.5 | 0 | 0 | 0 | 111.8 | | |
| 314 | V | 34.4 | Very low | 32 | Very low | 111 Ų | 111 | 133.4 Ų | 133.4 | 67% | 0.673 | 78% | 0.779 | S | S | * | * | | | trans | -135.8 | 92.9 | 148 | -176.4 | 0 | 0 | 0 | 0 | 108.6 | N316 | V314-N316 PolarHBondContact O-N 3.16Š|
| 315 | P | 32.7 | Very low | 31.9 | Very low | 95 Ų | 95 | 134.7 Ų | 134.7 | 62% | 0.617 | 78% | 0.78 | S | S | * | * | | | trans | -87.7 | 92.6 | 168.7 | 30.6 | -23.4 | 0 | 0 | 0 | 108.9 | N317 | P315-N317 PolarHBondContact O-N 3.28Š|
| 316 | N | 31.9 | Very low | 32.1 | Very low | 144 Ų | 144 | 132.5 Ų | 132.5 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | | | trans | -90.4 | 95.7 | 165.5 | -86.5 | -11.9 | 0 | 0 | 0 | 109.4 | V314 S318 | V314-N316 PolarHBondContact O-N 3.16Å; N316-S318 PolarHBondContact O-N 2.88Å |
| 317 | N | 31.5 | Very low | 31.9 | Very low | 142 Ų | 142 | 130.8 Ų | 130.8 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | | | trans | -66 | 107.6 | 163.5 | -59.8 | -27.7 | 0 | 0 | 0 | 108.5 | P315 | P315-N317 PolarHBondContact O-N 3.28Š|
| 318 | S | 33.2 | Very low | 31.9 | Very low | 118 Ų | 118 | 129.6 Ų | 129.6 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | | | trans | -113.4 | 75.6 | 157 | -70.1 | 0 | 0 | 0 | 0 | 108.1 | N316 S320 | N316-S318 PolarHBondContact O-N 2.88Å; S318-S320 PolarHBondContact O-N 3Å |
| 319 | S | 30.2 | Very low | 32 | Very low | 115 Ų | 115 | 126.2 Ų | 126.2 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | trans | -74.4 | 108.1 | 159.5 | -53.8 | 0 | 0 | 0 | 0 | 107.3 | | |
| 320 | S | 31.7 | Very low | 31.7 | Very low | 113 Ų | 113 | 126 Ų | 126 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | | | trans | -131.2 | 87.2 | 162 | -158.9 | 0 | 0 | 0 | 0 | 108.7 | S318 | S318-S320 PolarHBondContact O-N 3Š|
| 321 | S | 30.2 | Very low | 31.8 | Very low | 115 Ų | 115 | 125.9 Ų | 125.9 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | trans | -74.3 | 129.7 | 160.6 | 54.5 | 0 | 0 | 0 | 0 | 109.2 | | |
| 322 | S | 35.5 | Very low | 31.8 | Very low | 103 Ų | 103 | 127.4 Ų | 127.4 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | | | trans | -152.4 | 113.3 | 157.2 | 59.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 323 | N | 28.4 | Very low | 31.9 | Very low | 143 Ų | 143 | 133.8 Ų | 133.8 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | | | trans | 71 | 107.6 | 147.6 | -72.2 | 7.2 | 0 | 0 | 0 | 122.2 | | |
| 324 | P | 30.1 | Very low | 32.3 | Very low | 121 Ų | 121 | 129.8 Ų | 129.8 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | | | trans | -91.1 | 108 | 150.9 | 32.9 | -22.8 | 0 | 0 | 0 | 110.7 | | |
| 325 | H | 31.6 | Very low | 32.5 | Very low | 169 Ų | 169 | 129.5 Ų | 129.5 | 78% | 0.782 | 78% | 0.779 | S | S | * | * | | | trans | -155.3 | 129.2 | 170.4 | -97.6 | 13 | 0 | 0 | 0 | 104.1 | | |
| 326 | S | 35.5 | Very low | 32.5 | Very low | 112 Ų | 112 | 133.5 Ų | 133.5 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | | | cis | -166.7 | 137.2 | 30.9 | -38.9 | 0 | 0 | 0 | 0 | 104.4 | | |
| 327 | G | 29 | Very low | 32.8 | Very low | 77 Ų | 77 | 133.8 Ų | 133.8 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | | | | 99.6 | 144.2 | 89.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 328 | A | 35.9 | Very low | 33.4 | Very low | 93 Ų | 93 | 134.6 Ų | 134.6 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | | | trans | 86.1 | 80.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 329 | T | 33.4 | Very low | 33.6 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | | | | 60.8 | 105.8 | 81.8 | 68.7 | 0 | 0 | 0 | 0 | 116.2 | | |
| 330 | N | 29 | Very low | 34.2 | Very low | 141 Ų | 141 | 137.9 Ų | 137.9 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | | | | 65.1 | 104.2 | 127.2 | -42.7 | -14.3 | 0 | 0 | 0 | 118.5 | | |
| 331 | N | 32.2 | Very low | 34.2 | Very low | 163 Ų | 163 | 136 Ų | 136 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | | | | -164.6 | 90 | 124.1 | -99 | -22.7 | 0 | 0 | 0 | 109.8 | R333 | N331-R333 VanDerWaalsContact C-N 3.34Å; N331-R333 PolarHBondContact O-N 2.8Å |
| 332 | E | 31 | Very low | 34.7 | Very low | 203 Ų | 203 | 135.9 Ų | 135.9 | 95% | 0.949 | 79% | 0.791 | S | S | * | * | | | trans | -64.5 | 94.4 | 159.3 | -75.5 | 179.2 | 124.4 | 0 | 0 | 108.4 | | |
| 333 | R | 33.8 | Very low | 35 | Very low | 235 Ų | 235 | 137.3 Ų | 137.3 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | | | trans | -100.8 | 93.2 | 158.4 | -131.5 | 176 | -173.5 | -171.2 | 1.2 | 107.8 | N331 S335 | N331-R333 VanDerWaalsContact C-N 3.34Å; N331-R333 PolarHBondContact O-N 2.8Å; R333-S335 PolarHBondContact O-N 3Å |
| 334 | S | 37.2 | Very low | 35.5 | Very low | 98 Ų | 98 | 135.7 Ų | 135.7 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | | | trans | -48.1 | 96.3 | 166.1 | 159.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 335 | S | 38.7 | Very low | 36.4 | Very low | 105 Ų | 105 | 134.2 Ų | 134.2 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | | | trans | -94.9 | 89.7 | 159.8 | -63 | 0 | 0 | 0 | 0 | 107.4 | R333 D337 | R333-S335 PolarHBondContact O-N 3Å; S335-D337 PolarHBondContact O-N 3.06Å |
| 336 | Q | 33.7 | Very low | 37.1 | Very low | 179 Ų | 179 | 130.4 Ų | 130.4 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | | | trans | -67.1 | 78 | 163 | -85.8 | -179.5 | -58.2 | 0 | 0 | 108.2 | L338 | Q336-L338 PolarHBondContact O-N 2.89Š|
| 337 | D | 38.2 | Very low | 37.7 | Very low | 151 Ų | 151 | 131.3 Ų | 131.3 | 81% | 0.807 | 78% | 0.777 | S | S | * | * | | | trans | -81.8 | 117.4 | 166.3 | -104.7 | -33.3 | 0 | 0 | 0 | 108.9 | S335 S339 | S335-D337 PolarHBondContact O-N 3.06Å; D337-S339 PolarHBondContact O-N 3.05Å |
| 338 | L | 42.1 | Very low | 38.8 | Very low | 158 Ų | 158 | 137.7 Ų | 137.7 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | | | trans | -48.4 | 102.9 | -178.2 | -64.2 | 161.1 | 0 | 0 | 0 | 109.5 | Q336 K340 | Q336-L338 PolarHBondContact O-N 2.89Å; L338-K340 VanDerWaalsContact C-N 3.26Å; L338-K340 PolarHBondContact O-N 2.81Å |
| 339 | S | 38.5 | Very low | 39.7 | Very low | 118 Ų | 118 | 144 Ų | 144 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | | | trans | -56.7 | 96.8 | 164.4 | 172.6 | 0 | 0 | 0 | 0 | 107.1 | D337 G341 | D337-S339 PolarHBondContact O-N 3.05Å; S339-G341 PolarHBondContact O-N 3.27Å; S339-G341 VanDerWaalsContact O-N 3.08Å |
| 340 | K | 42 | Very low | 41 | Very low | 185 Ų | 185 | 145.8 Ų | 145.8 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | trans | -52.6 | 118.1 | 169.3 | -70.2 | -179.4 | 178.4 | 177.1 | 0 | 105.6 | L338 S342 | L338-K340 VanDerWaalsContact C-N 3.26Å; L338-K340 PolarHBondContact O-N 2.81Å; K340-S342 PolarHBondContact O-N 2.73Å |
| 341 | G | 31.8 | Very low | 42.8 | Very low | 72 Ų | 72 | 148.6 Ų | 148.6 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | | | trans | -55.7 | 95.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | S339 T343 | S339-G341 PolarHBondContact O-N 3.27Å; S339-G341 VanDerWaalsContact O-N 3.08Å; G341-T343 PolarHBondContact O-N 3.32Å |
| 342 | S | 41.9 | Very low | 44.7 | Very low | 113 Ų | 113 | 148.1 Ų | 148.1 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | | | trans | -64.7 | 98.5 | 163.8 | -71.1 | 0 | 0 | 0 | 0 | 104.2 | K340 S344 | K340-S342 PolarHBondContact O-N 2.73Å; S342-S344 VanDerWaalsContact C-N 3.28Å; S342-S344 PolarHBondContact O-N 2.81Å |
| 343 | T | 40.2 | Very low | 46.9 | Very low | 134 Ų | 134 | 140.1 Ų | 140.1 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | | | trans | -40.9 | 103.1 | 161.2 | 29.1 | 0 | 0 | 0 | 0 | 106.3 | G341 S345 | G341-T343 PolarHBondContact O-N 3.32Å; T343-S345 PolarHBondContact O-N 3.02Å |
| 344 | S | 40.7 | Very low | 49.2 | Very low | 108 Ų | 108 | 131.6 Ų | 131.6 | 76% | 0.755 | 72% | 0.718 | S | S | * | * | | | trans | -59.5 | 96.1 | 164.7 | 176.5 | 0 | 0 | 0 | 0 | 103.7 | S342 S346 | S342-S344 VanDerWaalsContact C-N 3.28Å; S342-S344 PolarHBondContact O-N 2.81Å; S344-S346 PolarHBondContact O-N 2.78Å |
| 345 | S | 47.8 | Very low | 51.5 | Low | 91 Ų | 91 | 132.8 Ų | 132.8 | 64% | 0.636 | 71% | 0.712 | S | S | * | * | | | trans | -56.7 | 92.7 | 157.9 | -179.8 | 0 | 0 | 0 | 0 | 103.1 | T343 D347 | T343-S345 PolarHBondContact O-N 3.02Å; S345-D347 PolarHBondContact O-N 2.75Å |
| 346 | S | 46.5 | Very low | 53.8 | Low | 89 Ų | 89 | 131.2 Ų | 131.2 | 62% | 0.622 | 70% | 0.701 | S | S | * | * | | | trans | -66.5 | 88.3 | 168.5 | -172.7 | 0 | 0 | 0 | 0 | 102.9 | S344 R348 | S344-S346 PolarHBondContact O-N 2.78Å; S346-R348 PolarHBondContact O-N 2.82Å |
| 347 | D | 47.3 | Very low | 56.5 | Low | 131 Ų | 131 | 128.2 Ų | 128.2 | 70% | 0.701 | 69% | 0.687 | S | S | * | * | | | trans | -56 | 90.5 | 162.3 | -81.2 | -24.5 | 0 | 0 | 0 | 104.1 | S345 R349 | S345-D347 PolarHBondContact O-N 2.75Å; D347-R349 PolarHBondContact O-N 2.78Å |
| 348 | R | 53.2 | Low | 58.9 | Low | 210 Ų | 210 | 125.7 Ų | 125.7 | 79% | 0.792 | 67% | 0.667 | S | S | * | * | | | trans | -64 | 78.3 | 163.3 | -70.5 | -178.4 | -176.3 | 179.7 | -0.3 | 103.5 | S346 R350 | S346-R348 PolarHBondContact O-N 2.82Å; R348-R350 PolarHBondContact O-N 2.89Å |
| 349 | R | 55 | Low | 61.3 | Low | 226 Ų | 226 | 122.5 Ų | 122.5 | 85% | 0.853 | 65% | 0.647 | S | S | * | * | | | trans | -53.2 | 99 | 159.8 | -78.6 | 179.8 | 80.4 | 168.1 | 5.1 | 103 | D347 K351 | D347-R349 PolarHBondContact O-N 2.78Å; R349-K351 VanDerWaalsContact C-N 3.28Å; R349-K351 PolarHBondContact O-N 2.94Å |
| 350 | R | 60.1 | Low | 63.9 | Low | 151 Ų | 151 | 124 Ų | 124 | 57% | 0.57 | 64% | 0.639 | S | S | * | * | | | trans | -48.9 | 107 | 167.5 | -83.2 | 177 | 165.8 | -145.1 | -16.3 | 103 | E77 R348 Q352 | E77-R350 IonicContact OE1-CZ 3.24Å; E77-R350 VanDerWaalsContact OE1-CZ 3.24Å; E77-R350 IonicContact OE1-NH1 3.01Å; E77-R350 PolarHBondContact OE1-NH1 2.95Å; E77-R350 IonicContact OE1-NH2 2.84Å; E77-R350 PolarHBondContact OE1-NH2 2.84Å; R348-R350 PolarHBondContact O-N 2.89Å; R350-Q352 PolarHBondContact O-N 2.91Å |
| 351 | K | 66.1 | Low | 66.4 | Low | 200 Ų | 200 | 118.2 Ų | 118.2 | 87% | 0.87 | 63% | 0.626 | S | S | * | * | | | trans | -61.9 | 100.5 | 174.9 | -81.4 | -175.3 | 175.7 | -179.1 | 0 | 103.4 | R349 A353 | R349-K351 VanDerWaalsContact C-N 3.28Å; R349-K351 PolarHBondContact O-N 2.94Å; K351-A353 PolarHBondContact O-N 3.35Å |
| 352 | Q | 73.6 | Confident | 69.3 | Low | 153 Ų | 153 | 120.2 Ų | 120.2 | 72% | 0.715 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 117 | 168.9 | -72.6 | -69.9 | -2.4 | 0 | 0 | 104.6 | R350 S354 | R350-Q352 PolarHBondContact O-N 2.91Å; Q352-S354 PolarHBondContact O-N 2.94Å |
| 353 | A | 75.8 | Confident | 71.8 | Confident | 35 Ų | 35 | 118.8 Ų | 118.8 | 29% | 0.289 | 60% | 0.595 | S | S | . | * | P | Polyproline II helix | trans | -50.4 | 134.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | K351 E357 R358 | K351-A353 PolarHBondContact O-N 3.35Å; A353-E357 HydrophobicContact CB-CB 4.33Å; A353-E357 HydrophobicContact CB-CG 4.36Å; A353-R358 HydrophobicContact CB-CG 4.05Å; A353-R358 PolarHBondContact O-NH1 3.24Å; A353-R358 VanDerWaalsContact O-NH1 3.16Å |
| 354 | S | 83.4 | Confident | 74.4 | Confident | 57 Ų | 57 | 115.4 Ų | 115.4 | 40% | 0.399 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -59.1 | 151.2 | 177.5 | 68.4 | 0 | 0 | 0 | 0 | 109 | Q352 S356 E357 R358 | Q352-S354 PolarHBondContact O-N 2.94Å; S354-S356 PolarHBondContact O-N 2.77Å; S354-S356 VanDerWaalsContact O-N 3.08Å; S354-S356 PolarHBondContact OG-OG 3.37Å; S354-E357 WeakPolarHBondContact O-CA 3.39Å; S354-E357 WeakPolarHBondContact O-CB 3.44Å; S354-E357 PolarHBondContact O-N 3.1Å; S354-E357 WeakPolarHBondContact OG-CB 3.12Å; S354-E357 PolarHBondContact OG-N 3.04Å; S354-R358 PolarHBondContact O-N 3.13Å |
| 355 | E | 83.8 | Confident | 77.1 | Confident | 122 Ų | 122 | 115.8 Ų | 115.8 | 57% | 0.57 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -52.9 | -35 | 176.2 | -170.2 | 64.3 | -173.5 | 0 | 0 | 111.6 | E357 R358 Q359 | E355-E357 VanDerWaalsContact C-N 3.32Å; E355-E357 PolarHBondContact O-N 2.72Å; E355-R358 PolarHBondContact O-N 3.18Å; E355-R358 IonicContact OE2-CZ 3.19Å; E355-R358 IonicContact OE2-NE 2.94Å; E355-R358 PolarHBondContact OE2-NE 2.7Å; E355-R358 IonicContact OE2-NH2 2.63Å; E355-R358 PolarHBondContact OE2-NH2 3.06Å; E355-Q359 WeakPolarHBondContact O-CB 3.43Å; E355-Q359 PolarHBondContact O-N 2.68Å |
| 356 | S | 87.6 | Confident | 79.4 | Confident | 72 Ų | 72 | 114.3 Ų | 114.3 | 50% | 0.503 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.9 | -31.3 | 175.6 | 75.1 | 0 | 0 | 0 | 0 | 114.3 | S354 K360 | S354-S356 PolarHBondContact O-N 2.77Å; S354-S356 VanDerWaalsContact O-N 3.08Å; S354-S356 PolarHBondContact OG-OG 3.37Å; S356-K360 VanDerWaalsContact O-CG 3.28Å; S356-K360 WeakPolarHBondContact O-CG 3.28Å; S356-K360 PolarHBondContact O-N 2.81Å |
| 357 | E | 89.7 | Confident | 81.8 | Confident | 116 Ų | 116 | 113 Ų | 113 | 54% | 0.542 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -79.1 | -39.3 | 178.3 | -172.2 | 171.6 | -164.2 | 0 | 0 | 110.6 | A353 S354 E355 K360 A361 | A353-E357 HydrophobicContact CB-CB 4.33Å; A353-E357 HydrophobicContact CB-CG 4.36Å; S354-E357 WeakPolarHBondContact O-CA 3.39Å; S354-E357 WeakPolarHBondContact O-CB 3.44Å; S354-E357 PolarHBondContact O-N 3.1Å; S354-E357 WeakPolarHBondContact OG-CB 3.12Å; S354-E357 PolarHBondContact OG-N 3.04Å; E355-E357 VanDerWaalsContact C-N 3.32Å; E355-E357 PolarHBondContact O-N 2.72Å; E357-K360 PolarHBondContact O-N 2.7Å; E357-A361 PolarHBondContact O-N 3.21Å |
| 358 | R | 88.8 | Confident | 84.1 | Confident | 99 Ų | 99 | 112.8 Ų | 112.8 | 37% | 0.374 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 171.8 | -69.2 | -167.6 | -76.5 | -113.8 | 5.5 | 112 | A353 S354 E355 K360 A361 Y362 | A353-R358 HydrophobicContact CB-CG 4.05Å; A353-R358 PolarHBondContact O-NH1 3.24Å; A353-R358 VanDerWaalsContact O-NH1 3.16Å; S354-R358 PolarHBondContact O-N 3.13Å; E355-R358 PolarHBondContact O-N 3.18Å; E355-R358 IonicContact OE2-CZ 3.19Å; E355-R358 IonicContact OE2-NE 2.94Å; E355-R358 PolarHBondContact OE2-NE 2.7Å; E355-R358 IonicContact OE2-NH2 2.63Å; E355-R358 PolarHBondContact OE2-NH2 3.06Å; R358-K360 PolarHBondContact O-N 3.24Å; R358-A361 PolarHBondContact O-N 2.84Å; R358-Y362 PolarHBondContact O-N 2.79Å |
| 359 | Q | 93.1 | Very high | 86.1 | Confident | 90 Ų | 90 | 107.2 Ų | 107.2 | 42% | 0.421 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 178.4 | -171.3 | 61.5 | 50.2 | 0 | 0 | 111.5 | E355 A361 Y362 D363 | E355-Q359 WeakPolarHBondContact O-CB 3.43Å; E355-Q359 PolarHBondContact O-N 2.68Å; Q359-A361 VanDerWaalsContact C-N 3.35Å; Q359-A361 PolarHBondContact O-N 3.27Å; Q359-Y362 WeakPolarHBondContact O-CB 3.47Å; Q359-Y362 PolarHBondContact O-N 3.07Å; Q359-D363 PolarHBondContact NE2-OD1 3.2Å; Q359-D363 PolarHBondContact O-N 3.09Å |
| 360 | K | 93.9 | Very high | 87.8 | Confident | 150 Ų | 150 | 100.2 Ų | 100.2 | 65% | 0.652 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.6 | -41.5 | 175.8 | -75.5 | 173.8 | -178 | -179 | 0 | 112.7 | S356 E357 R358 Y362 D363 S364 | S356-K360 VanDerWaalsContact O-CG 3.28Å; S356-K360 WeakPolarHBondContact O-CG 3.28Å; S356-K360 PolarHBondContact O-N 2.81Å; E357-K360 PolarHBondContact O-N 2.7Å; R358-K360 PolarHBondContact O-N 3.24Å; K360-Y362 VanDerWaalsContact C-N 3.33Å; K360-D363 PolarHBondContact O-N 3.44Å; K360-S364 WeakPolarHBondContact O-CB 3.49Å; K360-S364 PolarHBondContact O-N 3.2Å |
| 361 | A | 93 | Very high | 89.2 | Confident | 63 Ų | 63 | 97.5 Ų | 97.5 | 52% | 0.521 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | E357 R358 Q359 S364 W365 | E357-A361 PolarHBondContact O-N 3.21Å; R358-A361 PolarHBondContact O-N 2.84Å; Q359-A361 VanDerWaalsContact C-N 3.35Å; Q359-A361 PolarHBondContact O-N 3.27Å; A361-S364 PolarHBondContact O-N 3.35Å; A361-W365 WeakPolarHBondContact O-CB 3.36Å; A361-W365 PolarHBondContact O-N 2.69Å |
| 362 | Y | 93.7 | Very high | 90.4 | Very high | 114 Ų | 114 | 91.5 Ų | 91.5 | 45% | 0.447 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.2 | -47.3 | 175.4 | 178.9 | -97.2 | 0 | 0 | 0 | 112.3 | R358 Q359 K360 S364 W365 L366 | R358-Y362 PolarHBondContact O-N 2.79Å; Q359-Y362 WeakPolarHBondContact O-CB 3.47Å; Q359-Y362 PolarHBondContact O-N 3.07Å; K360-Y362 VanDerWaalsContact C-N 3.33Å; Y362-S364 VanDerWaalsContact C-N 3.3Å; Y362-S364 PolarHBondContact O-N 2.98Å; Y362-W365 HydrophobicContact CD2-CE3 4.46Å; Y362-W365 HydrophobicContact CE2-CE3 4.33Å; Y362-W365 HydrophobicContact CE2-CZ3 4.3Å; Y362-W365 PolarHBondContact O-N 2.76Å; Y362-L366 HydrophobicContact CE1-CD2 4.23Å; Y362-L366 WeakPolarHBondContact O-CB 3.48Å; Y362-L366 PolarHBondContact O-N 3.25Å |
| 363 | D | 95.4 | Very high | 90.9 | Very high | 83 Ų | 83 | 88.2 Ų | 88.2 | 44% | 0.444 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.2 | -38.5 | 179.7 | -65.3 | -17.7 | 0 | 0 | 0 | 111.4 | Q359 K360 L366 A367 | Q359-D363 PolarHBondContact NE2-OD1 3.2Å; Q359-D363 PolarHBondContact O-N 3.09Å; K360-D363 PolarHBondContact O-N 3.44Å; D363-L366 PolarHBondContact O-N 2.82Å; D363-A367 PolarHBondContact O-N 3.41Å |
| 364 | S | 94.5 | Very high | 91.2 | Very high | 63 Ų | 63 | 92.5 Ų | 92.5 | 44% | 0.441 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.7 | -47.5 | 174.7 | -165.5 | 0 | 0 | 0 | 0 | 111.7 | K360 A361 Y362 L366 A367 E368 | K360-S364 WeakPolarHBondContact O-CB 3.49Å; K360-S364 PolarHBondContact O-N 3.2Å; A361-S364 PolarHBondContact O-N 3.35Å; Y362-S364 VanDerWaalsContact C-N 3.3Å; Y362-S364 PolarHBondContact O-N 2.98Å; S364-L366 VanDerWaalsContact C-N 3.34Å; S364-L366 PolarHBondContact O-N 2.92Å; S364-A367 PolarHBondContact O-N 3.42Å; S364-E368 PolarHBondContact O-N 2.88Å; S364-E368 VanDerWaalsContact O-N 3.08Å |
| 365 | W | 97.2 | Very high | 91.1 | Very high | 117 Ų | 117 | 94.8 Ų | 94.8 | 44% | 0.443 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 177.7 | 173.7 | 80.6 | 0 | 0 | 0 | 112 | A361 Y362 A367 E368 F369 | A361-W365 WeakPolarHBondContact O-CB 3.36Å; A361-W365 PolarHBondContact O-N 2.69Å; Y362-W365 HydrophobicContact CD2-CE3 4.46Å; Y362-W365 HydrophobicContact CE2-CE3 4.33Å; Y362-W365 HydrophobicContact CE2-CZ3 4.3Å; Y362-W365 PolarHBondContact O-N 2.76Å; W365-A367 VanDerWaalsContact C-N 3.3Å; W365-A367 PolarHBondContact O-N 3.2Å; W365-E368 PolarHBondContact O-N 3.07Å; W365-F369 HydrophobicContact CZ2-CD2 4.4Å; W365-F369 WeakPolarHBondContact O-CB 3.39Å; W365-F369 PolarHBondContact O-N 3.01Å |
| 366 | L | 96.7 | Very high | 90.6 | Very high | 59 Ų | 59 | 95.9 Ų | 95.9 | 31% | 0.309 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.2 | -37.8 | 178.6 | -170.2 | 67.5 | 0 | 0 | 0 | 111.5 | Y362 D363 S364 N370 | Y362-L366 HydrophobicContact CE1-CD2 4.23Å; Y362-L366 WeakPolarHBondContact O-CB 3.48Å; Y362-L366 PolarHBondContact O-N 3.25Å; D363-L366 PolarHBondContact O-N 2.82Å; S364-L366 VanDerWaalsContact C-N 3.34Å; S364-L366 PolarHBondContact O-N 2.92Å; L366-N370 WeakPolarHBondContact O-CB 3.49Å; L366-N370 VanDerWaalsContact O-CG 3.24Å; L366-N370 PolarHBondContact O-N 2.76Å; L366-N370 PolarHBondContact O-ND2 3.13Å |
| 367 | A | 95.5 | Very high | 89.6 | Confident | 61 Ų | 61 | 100.4 Ų | 100.4 | 50% | 0.504 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.8 | -44.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D363 S364 W365 N371 | D363-A367 PolarHBondContact O-N 3.41Å; S364-A367 PolarHBondContact O-N 3.42Å; W365-A367 VanDerWaalsContact C-N 3.3Å; W365-A367 PolarHBondContact O-N 3.2Å; A367-N371 WeakPolarHBondContact O-CB 3.47Å; A367-N371 PolarHBondContact O-N 2.8Å; A367-N371 VanDerWaalsContact O-N 3.1Å |
| 368 | E | 95.3 | Very high | 88.3 | Confident | 127 Ų | 127 | 99.7 Ų | 99.7 | 59% | 0.593 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63 | -44.2 | 175.7 | -72.6 | 175.3 | -155.4 | 0 | 0 | 111.9 | S364 W365 N370 N371 E372 | S364-E368 PolarHBondContact O-N 2.88Å; S364-E368 VanDerWaalsContact O-N 3.08Å; W365-E368 PolarHBondContact O-N 3.07Å; E368-N370 PolarHBondContact O-N 2.8Å; E368-N371 PolarHBondContact O-N 3.47Å; E368-E372 PolarHBondContact O-N 2.94Å |
| 369 | F | 95.2 | Very high | 86.9 | Confident | 94 Ų | 94 | 102.4 Ų | 102.4 | 41% | 0.412 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 178.7 | -179.9 | -102.9 | 0 | 0 | 0 | 112.3 | W365 E372 L373 | W365-F369 HydrophobicContact CZ2-CD2 4.4Å; W365-F369 WeakPolarHBondContact O-CB 3.39Å; W365-F369 PolarHBondContact O-N 3.01Å; F369-E372 WeakPolarHBondContact O-CB 3.27Å; F369-E372 PolarHBondContact O-N 3.01Å; F369-L373 HydrophobicContact CD1-CD1 4.05Å; F369-L373 HydrophobicContact CE1-CD1 3.46Å; F369-L373 VanDerWaalsContact CE1-CD1 3.46Å; F369-L373 HydrophobicContact CE1-CG 4.11Å; F369-L373 HydrophobicContact CZ-CD1 3.91Å; F369-L373 HydrophobicContact CZ-CD2 4.39Å; F369-L373 HydrophobicContact CZ-CG 4.19Å; F369-L373 PolarHBondContact O-N 3.14Å |
| 370 | N | 91.4 | Very high | 85.4 | Confident | 79 Ų | 79 | 106.7 Ų | 106.7 | 42% | 0.422 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.8 | -37.4 | 178.2 | -72.6 | -24.9 | 0 | 0 | 0 | 112.4 | L366 E368 E372 L373 Q374 | L366-N370 WeakPolarHBondContact O-CB 3.49Å; L366-N370 VanDerWaalsContact O-CG 3.24Å; L366-N370 PolarHBondContact O-N 2.76Å; L366-N370 PolarHBondContact O-ND2 3.13Å; E368-N370 PolarHBondContact O-N 2.8Å; N370-E372 VanDerWaalsContact C-N 3.3Å; N370-E372 PolarHBondContact O-N 3.22Å; N370-L373 PolarHBondContact O-N 3.49Å; N370-Q374 PolarHBondContact O-N 2.76Å; N370-Q374 VanDerWaalsContact O-N 3.16Å |
| 371 | N | 90.4 | Very high | 83.7 | Confident | 94 Ų | 94 | 107 Ų | 107 | 50% | 0.503 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.3 | -39.8 | 173.9 | -171.8 | 0.7 | 0 | 0 | 0 | 111.1 | A367 E368 Q374 K375 | A367-N371 WeakPolarHBondContact O-CB 3.47Å; A367-N371 PolarHBondContact O-N 2.8Å; A367-N371 VanDerWaalsContact O-N 3.1Å; E368-N371 PolarHBondContact O-N 3.47Å; N371-Q374 PolarHBondContact O-N 3.4Å; N371-K375 PolarHBondContact O-N 2.75Å |
| 372 | E | 89.8 | Confident | 82 | Confident | 74 Ų | 74 | 109.2 Ų | 109.2 | 35% | 0.346 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.6 | -40.8 | 176.2 | -167.1 | 55.5 | -146.4 | 0 | 0 | 111.8 | E368 F369 N370 Q374 K375 Y376 | E368-E372 PolarHBondContact O-N 2.94Å; F369-E372 WeakPolarHBondContact O-CB 3.27Å; F369-E372 PolarHBondContact O-N 3.01Å; N370-E372 VanDerWaalsContact C-N 3.3Å; N370-E372 PolarHBondContact O-N 3.22Å; E372-Q374 PolarHBondContact O-N 2.87Å; E372-K375 WeakPolarHBondContact O-CB 3.41Å; E372-K375 PolarHBondContact O-N 3.1Å; E372-K375 WeakPolarHBondContact OE2-CE 3.35Å; E372-K375 IonicContact OE2-NZ 2.7Å; E372-K375 PolarHBondContact OE2-NZ 3.08Å; E372-Y376 HydrophobicContact CG-CE2 4.03Å; E372-Y376 WeakPolarHBondContact O-CD2 3.36Å; E372-Y376 WeakPolarHBondContact O-CE2 3.4Å; E372-Y376 PolarHBondContact OE1-OH 2.97Å; E372-Y376 VanDerWaalsContact OE1-OH 3.11Å |
| 373 | L | 84.6 | Confident | 80.4 | Confident | 83 Ų | 83 | 110 Ų | 110 | 44% | 0.435 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.6 | -39.1 | 175.1 | -74.9 | 179.1 | 0 | 0 | 0 | 113.4 | F369 N370 K375 Y376 E377 | F369-L373 HydrophobicContact CD1-CD1 4.05Å; F369-L373 HydrophobicContact CE1-CD1 3.46Å; F369-L373 VanDerWaalsContact CE1-CD1 3.46Å; F369-L373 HydrophobicContact CE1-CG 4.11Å; F369-L373 HydrophobicContact CZ-CD1 3.91Å; F369-L373 HydrophobicContact CZ-CD2 4.39Å; F369-L373 HydrophobicContact CZ-CG 4.19Å; F369-L373 PolarHBondContact O-N 3.14Å; N370-L373 PolarHBondContact O-N 3.49Å; L373-K375 PolarHBondContact O-N 2.98Å; L373-Y376 PolarHBondContact O-N 2.74Å; L373-E377 PolarHBondContact O-N 3.11Å |
| 374 | Q | 82.8 | Confident | 78.5 | Confident | 125 Ų | 125 | 113.8 Ų | 113.8 | 58% | 0.584 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.6 | -27.8 | 177.8 | -75.1 | -176.5 | -24 | 0 | 0 | 112.9 | N370 N371 E372 Y376 E377 | N370-Q374 PolarHBondContact O-N 2.76Å; N370-Q374 VanDerWaalsContact O-N 3.16Å; N371-Q374 PolarHBondContact O-N 3.4Å; E372-Q374 PolarHBondContact O-N 2.87Å; Q374-Y376 VanDerWaalsContact C-N 3.26Å; Q374-Y376 PolarHBondContact O-N 2.87Å; Q374-E377 PolarHBondContact O-N 2.85Å |
| 375 | K | 81.4 | Confident | 76.6 | Confident | 105 Ų | 105 | 117.5 Ų | 117.5 | 46% | 0.457 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.6 | -31.5 | 174.9 | -60.9 | 175.1 | -172.1 | 168.8 | 0 | 112.1 | N371 E372 L373 F379 | N371-K375 PolarHBondContact O-N 2.75Å; E372-K375 WeakPolarHBondContact O-CB 3.41Å; E372-K375 PolarHBondContact O-N 3.1Å; E372-K375 WeakPolarHBondContact OE2-CE 3.35Å; E372-K375 IonicContact OE2-NZ 2.7Å; E372-K375 PolarHBondContact OE2-NZ 3.08Å; L373-K375 PolarHBondContact O-N 2.98Å; K375-F379 WeakPolarHBondContact O-CD2 3.36Å; K375-F379 WeakPolarHBondContact O-CE2 3.23Å |
| 376 | Y | 73.5 | Confident | 74.5 | Confident | 145 Ų | 145 | 119.7 Ų | 119.7 | 57% | 0.569 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -82.8 | -28.2 | -179.3 | -62.6 | -76.6 | 0 | 0 | 0 | 113 | E372 L373 Q374 S378 F379 | E372-Y376 HydrophobicContact CG-CE2 4.03Å; E372-Y376 WeakPolarHBondContact O-CD2 3.36Å; E372-Y376 WeakPolarHBondContact O-CE2 3.4Å; E372-Y376 PolarHBondContact OE1-OH 2.97Å; E372-Y376 VanDerWaalsContact OE1-OH 3.11Å; L373-Y376 PolarHBondContact O-N 2.74Å; Q374-Y376 VanDerWaalsContact C-N 3.26Å; Q374-Y376 PolarHBondContact O-N 2.87Å; Y376-S378 PolarHBondContact O-N 3.42Å; Y376-F379 PolarHBondContact O-N 2.73Å |
| 377 | E | 66.3 | Low | 72.3 | Confident | 168 Ų | 168 | 121.1 Ų | 121.1 | 79% | 0.785 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -63.7 | -21.9 | 174.8 | -76.9 | -173.3 | 165.6 | 0 | 0 | 112.7 | L373 Q374 | L373-E377 PolarHBondContact O-N 3.11Å; Q374-E377 PolarHBondContact O-N 2.85Å |
| 378 | S | 61.8 | Low | 70.4 | Confident | 100 Ų | 100 | 125.5 Ų | 125.5 | 70% | 0.699 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -6.5 | -179.5 | -57.5 | 0 | 0 | 0 | 0 | 114.4 | Y376 E380 | Y376-S378 PolarHBondContact O-N 3.42Å; S378-E380 VanDerWaalsContact C-N 3.31Å; S378-E380 PolarHBondContact O-N 2.93Å; S378-E380 VanDerWaalsContact O-N 3.09Å |
| 379 | F | 60.1 | Low | 68.6 | Low | 157 Ų | 157 | 124.5 Ų | 124.5 | 69% | 0.689 | 64% | 0.643 | S | S | * | * | | | trans | -85.8 | 77 | 174.9 | -74.2 | -84.7 | 0 | 0 | 0 | 109.7 | K375 Y376 L381 | K375-F379 WeakPolarHBondContact O-CD2 3.36Å; K375-F379 WeakPolarHBondContact O-CE2 3.23Å; Y376-F379 PolarHBondContact O-N 2.73Å; F379-L381 PolarHBondContact O-N 2.79Å |
| 380 | E | 61.4 | Low | 66.7 | Low | 179 Ų | 179 | 125.9 Ų | 125.9 | 84% | 0.836 | 66% | 0.659 | S | S | * | * | | | trans | -60.4 | 110.1 | 156.4 | -74 | -169.9 | 172.1 | 0 | 0 | 107.3 | S378 S382 | S378-E380 VanDerWaalsContact C-N 3.31Å; S378-E380 PolarHBondContact O-N 2.93Å; S378-E380 VanDerWaalsContact O-N 3.09Å; E380-S382 PolarHBondContact O-N 2.82Å |
| 381 | L | 57.9 | Low | 65 | Low | 156 Ų | 156 | 129 Ų | 129 | 82% | 0.817 | 68% | 0.676 | S | S | * | * | | | trans | -64.5 | 91.4 | 165.4 | -75 | 163.2 | 0 | 0 | 0 | 106.5 | F379 I383 | F379-L381 PolarHBondContact O-N 2.79Å; L381-I383 HydrophobicContact CB-CG1 4.42Å; L381-I383 PolarHBondContact O-N 2.99Å |
| 382 | S | 57.9 | Low | 63.1 | Low | 110 Ų | 110 | 131.2 Ų | 131.2 | 77% | 0.769 | 69% | 0.687 | S | S | * | * | | | trans | -64.1 | 85.9 | 162.1 | 47.5 | 0 | 0 | 0 | 0 | 106.8 | E380 E384 | E380-S382 PolarHBondContact O-N 2.82Å; S382-E384 PolarHBondContact O-N 3.01Å |
| 383 | I | 59.6 | Low | 60.8 | Low | 130 Ų | 130 | 140.1 Ų | 140.1 | 67% | 0.667 | 73% | 0.728 | S | S | * | * | | | trans | -68.7 | 87.9 | 163 | -56.9 | 174.3 | 0 | 0 | 0 | 103.7 | L381 N385 | L381-I383 HydrophobicContact CB-CG1 4.42Å; L381-I383 PolarHBondContact O-N 2.99Å; I383-N385 PolarHBondContact O-N 2.91Å |
| 384 | E | 55.9 | Low | 59.6 | Low | 163 Ų | 163 | 143 Ų | 143 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | | | trans | -60.7 | 96.2 | 165.7 | -173 | 156.5 | -159.1 | 0 | 0 | 105.3 | S382 Q386 | S382-E384 PolarHBondContact O-N 3.01Å; E384-Q386 HydrophobicContact CG-CG 4.46Å; E384-Q386 PolarHBondContact O-N 3.44Å |
| 385 | N | 53.7 | Low | 58.4 | Low | 141 Ų | 141 | 143.9 Ų | 143.9 | 75% | 0.754 | 75% | 0.751 | S | S | * | * | | | trans | -61.4 | 84.2 | 170.4 | -72 | -43.3 | 0 | 0 | 0 | 106 | I383 A387 | I383-N385 PolarHBondContact O-N 2.91Å; N385-A387 PolarHBondContact O-N 3.39Å |
| 386 | Q | 53.9 | Low | 57.1 | Low | 163 Ų | 163 | 146.1 Ų | 146.1 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | | | trans | -63.8 | 88.9 | 160.4 | -68.8 | -166 | 25.7 | 0 | 0 | 105 | E384 L388 | E384-Q386 HydrophobicContact CG-CG 4.46Å; E384-Q386 PolarHBondContact O-N 3.44Å; Q386-L388 PolarHBondContact O-N 3.27Å |
| 387 | A | 50.4 | Low | 56.2 | Low | 89 Ų | 89 | 146.1 Ų | 146.1 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | | | trans | -53 | 107.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 105.6 | N385 P389 | N385-A387 PolarHBondContact O-N 3.39Å; A387-P389 WeakPolarHBondContact O-CD 3.28Å |
| 388 | L | 54.5 | Low | 55.5 | Low | 153 Ų | 153 | 144.8 Ų | 144.8 | 80% | 0.801 | 78% | 0.779 | S | S | * | * | | | trans | -55.6 | 125 | 167.7 | -100.6 | 85.1 | 0 | 0 | 0 | 106.2 | Q386 T390 | Q386-L388 PolarHBondContact O-N 3.27Å; L388-T390 PolarHBondContact O-N 3.4Å |
| 389 | P | 57.7 | Low | 55.1 | Low | 107 Ų | 107 | 147.7 Ų | 147.7 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | | | trans | -60.1 | 112.6 | 166.1 | 23.9 | -29.2 | 0 | 0 | 0 | 107 | A387 D391 | A387-P389 WeakPolarHBondContact O-CD 3.28Å; P389-D391 VanDerWaalsContact C-N 3.26Å; P389-D391 PolarHBondContact O-N 2.97Å |
| 390 | T | 56.5 | Low | 54.8 | Low | 122 Ų | 122 | 147.1 Ų | 147.1 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | | | trans | -68.1 | 93.2 | 162.3 | 43.4 | 0 | 0 | 0 | 0 | 106.2 | L388 D392 | L388-T390 PolarHBondContact O-N 3.4Å; T390-D392 PolarHBondContact O-N 3.43Å |
| 391 | D | 55.1 | Low | 54.3 | Low | 146 Ų | 146 | 144.6 Ų | 144.6 | 78% | 0.781 | 79% | 0.788 | S | S | * | * | | | trans | -68.5 | 88.1 | 165.4 | -87.1 | -26.9 | 0 | 0 | 0 | 107.7 | P389 H393 | P389-D391 VanDerWaalsContact C-N 3.26Å; P389-D391 PolarHBondContact O-N 2.97Å; D391-H393 PolarHBondContact O-N 3.03Å |
| 392 | D | 49.7 | Very low | 53.9 | Low | 139 Ų | 139 | 143.7 Ų | 143.7 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | | | trans | -78.5 | 90.9 | 159.5 | -87.6 | -29.9 | 0 | 0 | 0 | 107.5 | T390 | T390-D392 PolarHBondContact O-N 3.43Š|
| 393 | H | 42.4 | Very low | 53.6 | Low | 261 Ų | 261 | 146.7 Ų | 146.7 | 100% | 1.208 | 79% | 0.787 | S | S | * | * | | | trans | -150 | 0 | 159.5 | -84.9 | -43 | 0 | 0 | 0 | 113 | D391 | D391-H393 PolarHBondContact O-N 3.03Š|