| 1 | M | 40.6 | Very low | 51 | Low | 249 Ų | 249 | 157 Ų | 157 | 100% | 1.227 | 84% | 0.838 | S | S | * | * | | | | 0 | 94.4 | 0 | -73.4 | -65.6 | -85.4 | 0 | 0 | 106.7 | | |
| 2 | E | 51.2 | Low | 51.2 | Low | 187 Ų | 187 | 157.6 Ų | 157.6 | 87% | 0.874 | 84% | 0.84 | S | S | * | * | | | trans | -110.9 | 117.9 | -171 | -170.9 | 174.1 | -147.3 | 0 | 0 | 105.9 | | |
| 3 | S | 53.2 | Low | 50.5 | Low | 117 Ų | 117 | 157.2 Ų | 157.2 | 82% | 0.818 | 84% | 0.838 | S | S | * | * | | | trans | 158.2 | 94.8 | 161 | 43.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 4 | K | 55.8 | Low | 50.5 | Low | 208 Ų | 208 | 151.3 Ų | 151.3 | 90% | 0.904 | 83% | 0.833 | S | S | * | * | | | trans | -155.8 | 17.7 | 158.1 | -114.2 | 177.6 | -171.5 | -174.3 | 0 | 113.9 | | |
| 5 | E | 55.6 | Low | 49.8 | Very low | 189 Ų | 189 | 153.9 Ų | 153.9 | 88% | 0.883 | 83% | 0.832 | S | S | * | * | | | trans | -96.9 | -3.7 | -171.8 | -137.4 | 171.5 | 177 | 0 | 0 | 114.1 | L7 | E5-L7 PolarHBondContact O-N 2.99Š|
| 6 | E | 53 | Low | 49.2 | Very low | 179 Ų | 179 | 155.1 Ų | 155.1 | 84% | 0.836 | 84% | 0.838 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | 1.5 | -169.8 | -138.4 | -175.9 | -177.9 | 0 | 0 | 115.6 | | |
| 7 | L | 52.9 | Low | 48.7 | Very low | 147 Ų | 147 | 151.6 Ų | 151.6 | 77% | 0.77 | 84% | 0.835 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | -3.7 | -177.6 | -69.2 | 172.5 | 0 | 0 | 0 | 114.3 | E5 | E5-L7 PolarHBondContact O-N 2.99Š|
| 8 | A | 49.5 | Very low | 48.5 | Very low | 89 Ų | 89 | 151.9 Ų | 151.9 | 74% | 0.736 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -83 | -14.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 9 | A | 47.8 | Very low | 48.2 | Very low | 80 Ų | 80 | 152.8 Ų | 152.8 | 66% | 0.661 | 83% | 0.828 | S | S | * | * | G | 310 helix | trans | -85.7 | -13.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 10 | N | 51 | Low | 47.7 | Very low | 135 Ų | 135 | 151.9 Ų | 151.9 | 72% | 0.722 | 82% | 0.818 | S | S | * | * | G | 310 helix | trans | -96.3 | 5.8 | -167.6 | -72.5 | -22.7 | 0 | 0 | 0 | 116.1 | | |
| 11 | N | 50.8 | Low | 47.5 | Very low | 147 Ų | 147 | 151.6 Ų | 151.6 | 79% | 0.786 | 82% | 0.816 | S | S | * | * | G | 310 helix | trans | -109 | 22.8 | -176.7 | -67.7 | -52.2 | 0 | 0 | 0 | 114.6 | | |
| 12 | L | 52.7 | Low | 47.4 | Very low | 164 Ų | 164 | 147 Ų | 147 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | | | trans | -116.5 | 75.2 | 175 | -76 | 166.8 | 0 | 0 | 0 | 110.7 | | |
| 13 | N | 42.3 | Very low | 46.8 | Very low | 153 Ų | 153 | 141.9 Ų | 141.9 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | trans | -133.6 | 72.9 | 156.3 | -165.7 | 17.7 | 0 | 0 | 0 | 109.8 | | |
| 14 | G | 51.2 | Low | 46 | Very low | 74 Ų | 74 | 139.8 Ų | 139.8 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | | | trans | -78.2 | 111.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 15 | K | 39.9 | Very low | 45.2 | Very low | 191 Ų | 191 | 139.1 Ų | 139.1 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | | | trans | -162.9 | 75.4 | 156.2 | -113.5 | 175.3 | -177.7 | 178.7 | 0 | 109.5 | A17 | K15-A17 PolarHBondContact O-N 3.04Š|
| 16 | N | 39.8 | Very low | 44.8 | Very low | 172 Ų | 172 | 139.8 Ų | 139.8 | 92% | 0.92 | 79% | 0.794 | S | S | * | * | | | trans | -82.5 | 103.4 | 155.8 | -90.1 | -20.2 | 0 | 0 | 0 | 106.8 | Q18 | N16-Q18 PolarHBondContact O-N 2.95Š|
| 17 | A | 41.3 | Very low | 44.5 | Very low | 96 Ų | 96 | 135.3 Ų | 135.3 | 79% | 0.793 | 79% | 0.788 | S | S | * | * | | | trans | -64.6 | 114.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | K15 Q19 | K15-A17 PolarHBondContact O-N 3.04Å; A17-Q19 PolarHBondContact O-N 2.83Å; A17-Q19 VanDerWaalsContact O-N 3.16Å |
| 18 | Q | 43.6 | Very low | 44.6 | Very low | 157 Ų | 157 | 134.4 Ų | 134.4 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | | | trans | -61.7 | 104.8 | 165.6 | -175.4 | 175.1 | -9.5 | 0 | 0 | 107.7 | N16 E20 | N16-Q18 PolarHBondContact O-N 2.95Å; Q18-E20 HydrophobicContact CG-CG 4.24Å; Q18-E20 PolarHBondContact NE2-OE1 2.77Å |
| 19 | Q | 43.2 | Very low | 44.3 | Very low | 170 Ų | 170 | 138.5 Ų | 138.5 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | | | trans | -96.1 | 86.7 | 166.5 | -166.3 | 173.1 | 23 | 0 | 0 | 107.5 | A17 | A17-Q19 PolarHBondContact O-N 2.83Å; A17-Q19 VanDerWaalsContact O-N 3.16Å |
| 20 | E | 39.4 | Very low | 44.3 | Very low | 134 Ų | 134 | 139.8 Ų | 139.8 | 63% | 0.626 | 80% | 0.799 | S | S | * | * | | | trans | -63.6 | 123 | 154.7 | -76.8 | 166.4 | 174.1 | 0 | 0 | 107.7 | Q18 | Q18-E20 HydrophobicContact CG-CG 4.24Å; Q18-E20 PolarHBondContact NE2-OE1 2.77Å |
| 21 | N | 43.2 | Very low | 44.1 | Very low | 145 Ų | 145 | 141.3 Ų | 141.3 | 78% | 0.775 | 81% | 0.806 | S | S | * | * | | | trans | -131 | 96.4 | 150.9 | -98.9 | -29.4 | 0 | 0 | 0 | 106.7 | | |
| 22 | D | 38 | Very low | 43.6 | Very low | 152 Ų | 152 | 142.9 Ų | 142.9 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | | | trans | -54.8 | 144.5 | 165.2 | -87.7 | -41.8 | 0 | 0 | 0 | 111.9 | | |
| 23 | G | 38.8 | Very low | 43.3 | Very low | 81 Ų | 81 | 143.7 Ų | 143.7 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | | | | 61.7 | 95.8 | 129.3 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 24 | G | 35.2 | Very low | 43.5 | Very low | 73 Ų | 73 | 144.7 Ų | 144.7 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | | | trans | -153.9 | 82.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 25 | E | 40.8 | Very low | 43.4 | Very low | 194 Ų | 194 | 145.4 Ų | 145.4 | 91% | 0.907 | 80% | 0.802 | S | S | * | * | | | trans | 43.4 | 114.9 | 148.2 | -67 | 176.1 | 155.4 | 0 | 0 | 120.2 | A27 | E25-A27 PolarHBondContact O-N 3.34Š|
| 26 | Q | 47 | Very low | 43.7 | Very low | 202 Ų | 202 | 147.2 Ų | 147.2 | 94% | 0.944 | 80% | 0.803 | S | S | * | * | | | trans | -62.5 | 126.2 | 154.6 | -65.3 | -174.1 | 67.7 | 0 | 0 | 110.3 | | |
| 27 | A | 45.2 | Very low | 44.1 | Very low | 85 Ų | 85 | 148.2 Ų | 148.2 | 70% | 0.702 | 80% | 0.802 | S | S | * | * | | | trans | -151.3 | 124.3 | 151.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | E25 | E25-A27 PolarHBondContact O-N 3.34Š|
| 28 | P | 55.6 | Low | 44.4 | Very low | 128 Ų | 128 | 151.7 Ų | 151.7 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | | | trans | -91 | 114.2 | 166.3 | 32.1 | -23.2 | 0 | 0 | 0 | 108.4 | | |
| 29 | M | 44 | Very low | 44 | Very low | 175 Ų | 175 | 148 Ų | 148 | 86% | 0.862 | 81% | 0.81 | S | S | * | * | | | trans | -110.3 | 123.6 | 168.3 | -90.1 | -83.3 | -118.8 | 0 | 0 | 109.6 | | |
| 30 | P | 47.9 | Very low | 44.1 | Very low | 108 Ų | 108 | 144.1 Ų | 144.1 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | | | trans | -72.8 | 135.1 | 171.8 | 30.8 | -31.2 | 0 | 0 | 0 | 109.6 | E32 | P30-E32 PolarHBondContact O-N 3.3Š|
| 31 | N | 46.3 | Very low | 44 | Very low | 166 Ų | 166 | 141.4 Ų | 141.4 | 89% | 0.888 | 82% | 0.824 | S | S | * | * | | | trans | -78.6 | 95.1 | 175.3 | 47.7 | -23.7 | 0 | 0 | 0 | 110.6 | | |
| 32 | E | 41.1 | Very low | 44.4 | Very low | 181 Ų | 181 | 144.6 Ų | 144.6 | 85% | 0.846 | 83% | 0.834 | S | S | * | * | | | trans | -116.9 | 90.8 | 170.1 | -159 | 166.1 | -153.2 | 0 | 0 | 109.2 | P30 E34 | P30-E32 PolarHBondContact O-N 3.3Å; E32-E34 PolarHBondContact O-N 3.29Å |
| 33 | E | 44.6 | Very low | 44.9 | Very low | 180 Ų | 180 | 140.5 Ų | 140.5 | 84% | 0.841 | 83% | 0.828 | S | S | * | * | | | trans | -85.8 | 89.5 | 176.9 | -170.6 | 175.8 | -170.3 | 0 | 0 | 109 | | |
| 34 | E | 47.4 | Very low | 45.3 | Very low | 175 Ų | 175 | 145.6 Ų | 145.6 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | | | trans | -102.9 | 82.4 | 168.1 | -161.7 | 175.7 | -159.3 | 0 | 0 | 109.6 | E32 R36 | E32-E34 PolarHBondContact O-N 3.29Å; E34-R36 PolarHBondContact O-N 3.48Å |
| 35 | S | 48.9 | Very low | 46.5 | Very low | 89 Ų | 89 | 151.6 Ų | 151.6 | 62% | 0.622 | 84% | 0.836 | S | S | * | * | | | trans | -94.7 | 91.6 | 171.7 | 55 | 0 | 0 | 0 | 0 | 111.1 | | |
| 36 | R | 46.4 | Very low | 47 | Very low | 228 Ų | 228 | 148 Ų | 148 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | | | trans | 53.2 | 104.4 | 134.8 | -55.9 | -179.7 | -170.1 | -174.1 | 2.9 | 117.5 | E34 L38 | E34-R36 PolarHBondContact O-N 3.48Å; R36-L38 PolarHBondContact O-N 3.46Å |
| 37 | H | 48.2 | Very low | 47 | Very low | 194 Ų | 194 | 142.1 Ų | 142.1 | 90% | 0.898 | 82% | 0.823 | S | S | * | * | | | trans | -54.7 | 120.8 | 158.5 | -79.3 | -74.9 | 0 | 0 | 0 | 112.1 | | |
| 38 | L | 48.6 | Very low | 47 | Very low | 168 Ų | 168 | 141.2 Ų | 141.2 | 88% | 0.88 | 82% | 0.821 | S | S | * | * | | | trans | -130.5 | 117.2 | 160.3 | -77.8 | 174.6 | 0 | 0 | 0 | 110 | R36 | R36-L38 PolarHBondContact O-N 3.46Š|
| 39 | G | 35.3 | Very low | 46.7 | Very low | 79 Ų | 79 | 142.3 Ų | 142.3 | 81% | 0.814 | 82% | 0.82 | S | S | * | * | | | trans | 75.4 | 98.6 | 139.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 40 | G | 43.8 | Very low | 47.2 | Very low | 90 Ų | 90 | 141.6 Ų | 141.6 | 93% | 0.928 | 82% | 0.818 | S | S | * | * | | | trans | -63.5 | 147.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 41 | G | 37 | Very low | 47.6 | Very low | 76 Ų | 76 | 147.9 Ų | 147.9 | 78% | 0.784 | 83% | 0.828 | S | S | * | * | | | trans | -140.8 | 99.2 | 161.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | G43 | G41-G43 PolarHBondContact O-N 3.48Š|
| 42 | E | 51.5 | Low | 48.2 | Very low | 212 Ų | 212 | 151.3 Ų | 151.3 | 99% | 0.991 | 83% | 0.829 | S | S | * | * | | | trans | -56 | 121.2 | 173.9 | -80.5 | 172.8 | 124.3 | 0 | 0 | 110.5 | | |
| 43 | G | 49 | Very low | 48.6 | Very low | 67 Ų | 67 | 145.5 Ų | 145.5 | 69% | 0.691 | 82% | 0.817 | S | S | * | * | | | trans | -154.8 | 94.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | G41 | G41-G43 PolarHBondContact O-N 3.48Š|
| 44 | Q | 47.2 | Very low | 49.5 | Very low | 187 Ų | 187 | 148.5 Ų | 148.5 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | | | trans | 77.9 | 108.5 | 163.9 | -61.7 | -138.4 | 59.3 | 0 | 0 | 118.3 | P46 | Q44-P46 WeakPolarHBondContact O-CD 3.49Š|
| 45 | K | 60.7 | Low | 49.9 | Very low | 199 Ų | 199 | 146.4 Ų | 146.4 | 87% | 0.865 | 82% | 0.82 | S | S | * | * | | | trans | -67.8 | 132 | 147.8 | -63.1 | 173.1 | 178.9 | 174.4 | 0 | 108.7 | | |
| 46 | P | 51.3 | Low | 50.7 | Low | 120 Ų | 120 | 152.9 Ų | 152.9 | 78% | 0.779 | 83% | 0.83 | S | S | * | * | | | trans | -105 | 121.1 | 141.2 | 29.6 | -18.2 | 0 | 0 | 0 | 107.7 | Q44 | Q44-P46 WeakPolarHBondContact O-CD 3.49Š|
| 47 | G | 47.8 | Very low | 51.6 | Low | 78 Ų | 78 | 152.9 Ų | 152.9 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | | | trans | -61 | 159.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 48 | G | 45 | Very low | 52.3 | Low | 65 Ų | 65 | 151.5 Ų | 151.5 | 67% | 0.67 | 83% | 0.828 | S | S | * | * | | | trans | 109.4 | 122 | 161.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 49 | N | 49.7 | Very low | 53.1 | Low | 151 Ų | 151 | 147.6 Ų | 147.6 | 81% | 0.807 | 81% | 0.811 | S | S | * | * | | | trans | 50.1 | 88 | 153.8 | 63.3 | 18.7 | 0 | 0 | 0 | 120.2 | R51 | N49-R51 VanDerWaalsContact C-N 3.29Å; N49-R51 PolarHBondContact O-N 2.91Å |
| 50 | I | 54.5 | Low | 54.5 | Low | 161 Ų | 161 | 147.7 Ų | 147.7 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | | | trans | -65 | 86.8 | 153.9 | -56.7 | 163 | 0 | 0 | 0 | 108.9 | R52 | I50-R52 HydrophobicContact CG2-CG 4.01Š|
| 51 | R | 56.4 | Low | 55.5 | Low | 239 Ų | 239 | 150.2 Ų | 150.2 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | | | trans | -94.9 | 104.7 | 156.3 | -90.6 | -175.3 | 172.7 | 176.2 | -1.6 | 107.7 | N49 G53 | N49-R51 VanDerWaalsContact C-N 3.29Å; N49-R51 PolarHBondContact O-N 2.91Å; R51-G53 PolarHBondContact O-N 3.43Å |
| 52 | R | 58.4 | Low | 56.6 | Low | 239 Ų | 239 | 154.6 Ų | 154.6 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | | | trans | -61 | 70.7 | 173.2 | -64.6 | -175.6 | 172.3 | -154.1 | -1.7 | 111.2 | I50 | I50-R52 HydrophobicContact CG2-CG 4.01Š|
| 53 | G | 49.3 | Very low | 57.2 | Low | 58 Ų | 58 | 155.1 Ų | 155.1 | 60% | 0.598 | 78% | 0.781 | S | S | * | * | | | trans | -95.6 | 91.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | R51 V55 | R51-G53 PolarHBondContact O-N 3.43Å; G53-V55 PolarHBondContact O-N 3.3Å |
| 54 | R | 62.6 | Low | 57.7 | Low | 244 Ų | 244 | 162.7 Ų | 162.7 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | | | trans | -60.9 | 94.4 | 164 | -76.6 | -177 | 173.3 | -152.4 | -1 | 106.8 | R56 | R54-R56 VanDerWaalsContact C-N 3.29Å; R54-R56 PolarHBondContact O-N 3.27Å |
| 55 | V | 56.1 | Low | 58.5 | Low | 131 Ų | 131 | 158 Ų | 158 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | | | trans | -64.6 | 100.7 | 168 | -179.1 | 0 | 0 | 0 | 0 | 105 | G53 R57 | G53-V55 PolarHBondContact O-N 3.3Å; V55-R57 PolarHBondContact O-N 3.32Å |
| 56 | R | 65.4 | Low | 58.7 | Low | 224 Ų | 224 | 156 Ų | 156 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | | | trans | -54.9 | 124.4 | 173.9 | -75.2 | -175.9 | 176.5 | -153.1 | -0.3 | 106.5 | R54 L58 | R54-R56 VanDerWaalsContact C-N 3.29Å; R54-R56 PolarHBondContact O-N 3.27Å; R56-L58 PolarHBondContact O-N 3.34Å |
| 57 | R | 65.8 | Low | 59.4 | Low | 229 Ų | 229 | 154.9 Ų | 154.9 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | | | trans | -46.9 | 105.7 | 177.4 | -142.1 | 179.9 | -173.3 | -167.9 | 2.4 | 108.6 | V55 V59 | V55-R57 PolarHBondContact O-N 3.32Å; R57-V59 HydrophobicContact CG-CG2 3.95Å; R57-V59 PolarHBondContact O-N 2.88Å |
| 58 | L | 63.5 | Low | 60.2 | Low | 164 Ų | 164 | 158.2 Ų | 158.2 | 86% | 0.859 | 77% | 0.771 | S | S | * | * | | | trans | -79.3 | 48 | 173.3 | -71.5 | 169.1 | 0 | 0 | 0 | 109.7 | R56 | R56-L58 PolarHBondContact O-N 3.34Š|
| 59 | V | 64.6 | Low | 61.2 | Low | 86 Ų | 86 | 165.2 Ų | 165.2 | 52% | 0.521 | 78% | 0.777 | S | S | . | * | | | trans | -94.3 | 115.7 | 170.2 | 177.5 | 0 | 0 | 0 | 0 | 105.3 | R57 N61 | R57-V59 HydrophobicContact CG-CG2 3.95Å; R57-V59 PolarHBondContact O-N 2.88Å; V59-N61 PolarHBondContact O-N 3.24Å |
| 60 | P | 65.4 | Low | 62 | Low | 82 Ų | 82 | 165.1 Ų | 165.1 | 53% | 0.532 | 77% | 0.772 | S | S | . | * | | | trans | -60.5 | 117.3 | 171.2 | -10.9 | 24.3 | 0 | 0 | 0 | 106.4 | F62 | P60-F62 HydrophobicContact CB-CD2 3.93Å; P60-F62 HydrophobicContact CB-CE2 3.54Å; P60-F62 HydrophobicContact CB-CZ 3.89Å; P60-F62 HydrophobicContact CG-CD2 4.5Å; P60-F62 HydrophobicContact CG-CE2 3.78Å; P60-F62 HydrophobicContact CG-CZ 4.22Å; P60-F62 WeakPolarHBondContact O-CD2 3.47Å; P60-F62 PolarHBondContact O-N 3.47Å |
| 61 | N | 64.5 | Low | 62.4 | Low | 143 Ų | 143 | 162.4 Ų | 162.4 | 77% | 0.765 | 76% | 0.758 | S | S | * | * | | | trans | -68.5 | 83.3 | 171.9 | -75.8 | -50.8 | 0 | 0 | 0 | 107.3 | V59 R63 | V59-N61 PolarHBondContact O-N 3.24Å; N61-R63 PolarHBondContact O-N 3.39Å |
| 62 | F | 60.9 | Low | 62.8 | Low | 168 Ų | 168 | 158.5 Ų | 158.5 | 74% | 0.737 | 75% | 0.75 | S | S | * | * | | | trans | -71.3 | 58.8 | 165.3 | -64.7 | -76.2 | 0 | 0 | 0 | 108.8 | P60 W64 | P60-F62 HydrophobicContact CB-CD2 3.93Å; P60-F62 HydrophobicContact CB-CE2 3.54Å; P60-F62 HydrophobicContact CB-CZ 3.89Å; P60-F62 HydrophobicContact CG-CD2 4.5Å; P60-F62 HydrophobicContact CG-CE2 3.78Å; P60-F62 HydrophobicContact CG-CZ 4.22Å; P60-F62 WeakPolarHBondContact O-CD2 3.47Å; P60-F62 PolarHBondContact O-N 3.47Å; F62-W64 PolarHBondContact O-N 3.36Å |
| 63 | R | 64 | Low | 62.9 | Low | 223 Ų | 223 | 154.4 Ų | 154.4 | 84% | 0.842 | 74% | 0.741 | S | S | * | * | | | trans | -70.7 | 78.1 | 157 | -66.7 | -178.9 | 73.4 | -164 | 3.2 | 104.5 | N61 A65 | N61-R63 PolarHBondContact O-N 3.39Å; R63-A65 PolarHBondContact O-N 3.33Å |
| 64 | W | 58.8 | Low | 63.4 | Low | 225 Ų | 225 | 157.6 Ų | 157.6 | 85% | 0.852 | 74% | 0.744 | S | S | * | * | | | trans | -37.3 | 119.5 | 162.9 | -104.8 | 41.6 | 0 | 0 | 0 | 106.4 | F62 I66 | F62-W64 PolarHBondContact O-N 3.36Å; W64-I66 VanDerWaalsContact C-N 3.3Å; W64-I66 PolarHBondContact O-N 3.02Å |
| 65 | A | 64 | Low | 63.3 | Low | 89 Ų | 89 | 154 Ų | 154 | 74% | 0.736 | 74% | 0.738 | S | S | * | * | | | trans | -53.3 | 103.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 105.7 | R63 P67 | R63-A65 PolarHBondContact O-N 3.33Å; A65-P67 VanDerWaalsContact C-N 3.32Å; A65-P67 WeakPolarHBondContact O-CD 3.32Å |
| 66 | I | 65.6 | Low | 63.4 | Low | 156 Ų | 156 | 151.5 Ų | 151.5 | 80% | 0.8 | 73% | 0.731 | S | S | * | * | | | trans | -61.9 | 105.8 | 166.7 | -61.3 | 172 | 0 | 0 | 0 | 101.9 | W64 N68 | W64-I66 VanDerWaalsContact C-N 3.3Å; W64-I66 PolarHBondContact O-N 3.02Å; I66-N68 PolarHBondContact O-N 2.9Å |
| 67 | P | 65.2 | Low | 63.1 | Low | 98 Ų | 98 | 150.8 Ų | 150.8 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | | | trans | -61.9 | 119 | 174.6 | 27.5 | -28 | 0 | 0 | 0 | 103.4 | A65 R69 | A65-P67 VanDerWaalsContact C-N 3.32Å; A65-P67 WeakPolarHBondContact O-CD 3.32Å; P67-R69 VanDerWaalsContact C-N 3.29Å; P67-R69 PolarHBondContact O-N 3.25Å |
| 68 | N | 65.3 | Low | 63 | Low | 148 Ų | 148 | 145.3 Ų | 145.3 | 79% | 0.791 | 72% | 0.716 | S | S | * | * | | | trans | -53.1 | 104.3 | 174.3 | -168.8 | 6.2 | 0 | 0 | 0 | 104.7 | I66 H70 | I66-N68 PolarHBondContact O-N 2.9Å; N68-H70 PolarHBondContact O-N 3.47Å |
| 69 | R | 65.6 | Low | 63.4 | Low | 211 Ų | 211 | 141.5 Ų | 141.5 | 80% | 0.796 | 70% | 0.697 | S | S | * | * | | | trans | -68.2 | 91.4 | -176.9 | -75.4 | -177.7 | 176.2 | 174.5 | -1 | 104.3 | P67 I71 | P67-R69 VanDerWaalsContact C-N 3.29Å; P67-R69 PolarHBondContact O-N 3.25Å; R69-I71 HydrophobicContact CB-CG1 4.09Å; R69-I71 PolarHBondContact O-N 3.38Å |
| 70 | H | 65 | Low | 64.3 | Low | 150 Ų | 150 | 142 Ų | 142 | 69% | 0.694 | 70% | 0.7 | S | S | * | * | | | trans | -70.4 | 88.9 | 168.2 | -157.9 | 57.4 | 0 | 0 | 0 | 105 | N68 E72 | N68-H70 PolarHBondContact O-N 3.47Å; H70-E72 WeakPolarHBondContact CD2-CG 3.18Å; H70-E72 IonicContact CD2-OE1 3.38Å; H70-E72 PolarHBondContact CD2-OE1 2.75Å; H70-E72 IonicContact NE2-OE1 2.75Å; H70-E72 PolarHBondContact O-N 2.99Å |
| 71 | I | 63.1 | Low | 65.1 | Low | 104 Ų | 104 | 145.4 Ų | 145.4 | 53% | 0.533 | 71% | 0.709 | S | S | . | * | | | trans | -77.9 | 89.1 | 172.3 | -63.3 | 175.6 | 0 | 0 | 0 | 104.1 | R69 H73 | R69-I71 HydrophobicContact CB-CG1 4.09Å; R69-I71 PolarHBondContact O-N 3.38Å; I71-H73 HydrophobicContact CG2-CB 3.99Å; I71-H73 WeakPolarHBondContact CG2-CD2 3.35Å; I71-H73 WeakPolarHBondContact CG2-NE2 3.28Å; I71-H73 PolarHBondContact O-N 3.47Å |
| 72 | E | 64.6 | Low | 66.1 | Low | 157 Ų | 157 | 146.2 Ų | 146.2 | 73% | 0.734 | 70% | 0.701 | S | S | * | * | | | trans | -67.6 | 77 | 165 | -67.8 | 176.8 | -171.6 | 0 | 0 | 107.5 | H70 | H70-E72 WeakPolarHBondContact CD2-CG 3.18Å; H70-E72 IonicContact CD2-OE1 3.38Å; H70-E72 PolarHBondContact CD2-OE1 2.75Å; H70-E72 IonicContact NE2-OE1 2.75Å; H70-E72 PolarHBondContact O-N 2.99Å |
| 73 | H | 62.4 | Low | 67.4 | Low | 152 Ų | 152 | 144 Ų | 144 | 70% | 0.704 | 69% | 0.691 | S | S | * | * | | | trans | -97.8 | 81.9 | 167.4 | -79.6 | -22.7 | 0 | 0 | 0 | 108 | I71 | I71-H73 HydrophobicContact CG2-CB 3.99Å; I71-H73 WeakPolarHBondContact CG2-CD2 3.35Å; I71-H73 WeakPolarHBondContact CG2-NE2 3.28Å; I71-H73 PolarHBondContact O-N 3.47Å |
| 74 | N | 59.3 | Low | 68.7 | Low | 126 Ų | 126 | 137 Ų | 137 | 67% | 0.674 | 67% | 0.673 | S | S | * | * | | | trans | -145.1 | -12.7 | 162.8 | -78.8 | -50 | 0 | 0 | 0 | 114.8 | | |
| 75 | E | 59.3 | Low | 70.2 | Confident | 168 Ų | 168 | 128.1 Ų | 128.1 | 79% | 0.785 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -71.2 | -40.4 | 177.1 | -78.5 | -176.5 | 153.9 | 0 | 0 | 112.8 | R77 D78 D79 | E75-R77 PolarHBondContact O-N 3.37Å; E75-R77 VanDerWaalsContact O-N 3.1Å; E75-D78 PolarHBondContact O-N 3.06Å; E75-D79 PolarHBondContact O-N 3.34Å |
| 76 | A | 59.3 | Low | 71.6 | Confident | 79 Ų | 79 | 127.8 Ų | 127.8 | 65% | 0.653 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -67.1 | -15.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 77 | R | 59.3 | Low | 73 | Confident | 208 Ų | 208 | 124 Ų | 124 | 79% | 0.785 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -86.2 | -35.8 | 179.4 | -152 | 179.6 | -171.6 | -165.1 | 1.6 | 111.8 | E75 D79 | E75-R77 PolarHBondContact O-N 3.37Å; E75-R77 VanDerWaalsContact O-N 3.1Å; R77-D79 VanDerWaalsContact C-N 3.3Å |
| 78 | D | 63.1 | Low | 74.3 | Confident | 114 Ų | 114 | 125.8 Ų | 125.8 | 61% | 0.61 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -73.5 | -21.5 | 175 | -84 | -4.3 | 0 | 0 | 0 | 112.8 | E75 V80 E81 R82 | E75-D78 PolarHBondContact O-N 3.06Å; D78-V80 VanDerWaalsContact C-N 3.32Å; D78-V80 PolarHBondContact O-N 3.3Å; D78-E81 PolarHBondContact O-N 2.99Å; D78-R82 WeakPolarHBondContact O-CB 3.49Å; D78-R82 PolarHBondContact O-N 2.95Å; D78-R82 VanDerWaalsContact O-N 3.09Å |
| 79 | D | 73 | Confident | 75.6 | Confident | 85 Ų | 85 | 122.6 Ų | 122.6 | 46% | 0.455 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64 | -34.1 | 179.3 | -79.7 | -30.8 | 0 | 0 | 0 | 113.5 | E75 R77 F83 | E75-D79 PolarHBondContact O-N 3.34Å; R77-D79 VanDerWaalsContact C-N 3.3Å; D79-F83 WeakPolarHBondContact O-CB 3.29Å; D79-F83 PolarHBondContact O-N 3.23Å |
| 80 | V | 82.4 | Confident | 77.1 | Confident | 97 Ų | 97 | 117.4 Ų | 117.4 | 59% | 0.588 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -68.6 | -45.6 | -178.7 | -178.8 | 0 | 0 | 0 | 0 | 110.7 | D78 F83 V84 | D78-V80 VanDerWaalsContact C-N 3.32Å; D78-V80 PolarHBondContact O-N 3.3Å; V80-F83 PolarHBondContact O-N 3.03Å; V80-V84 VanDerWaalsContact O-CG2 3.29Å; V80-V84 WeakPolarHBondContact O-CG2 3.39Å; V80-V84 PolarHBondContact O-N 3.5Å |
| 81 | E | 83.3 | Confident | 78.4 | Confident | 152 Ų | 152 | 117.1 Ų | 117.1 | 71% | 0.71 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -66.6 | -42.6 | 178.9 | -172.9 | 171.4 | 175.5 | 0 | 0 | 111.1 | D78 F83 V84 G85 | D78-E81 PolarHBondContact O-N 2.99Å; E81-F83 VanDerWaalsContact C-N 3.34Å; E81-F83 PolarHBondContact O-N 3.32Å; E81-V84 PolarHBondContact O-N 3.42Å; E81-G85 PolarHBondContact O-N 3.06Å |
| 82 | R | 85.6 | Confident | 79.8 | Confident | 160 Ų | 160 | 119.7 Ų | 119.7 | 60% | 0.604 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -60.9 | -42.3 | 174.9 | -178.1 | 170 | 171.8 | -98.6 | -1.2 | 112.1 | D78 G85 Q86 | D78-R82 WeakPolarHBondContact O-CB 3.49Å; D78-R82 PolarHBondContact O-N 2.95Å; D78-R82 VanDerWaalsContact O-N 3.09Å; R82-G85 PolarHBondContact O-N 2.96Å; R82-Q86 VanDerWaalsContact O-CG 3.32Å; R82-Q86 WeakPolarHBondContact O-CG 3.49Å; R82-Q86 PolarHBondContact O-N 3.17Å |
| 83 | F | 87.9 | Confident | 81.1 | Confident | 121 Ų | 121 | 117.5 Ų | 117.5 | 53% | 0.531 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.9 | -42.2 | 177.8 | -178.5 | -100.8 | 0 | 0 | 0 | 112.2 | D79 V80 E81 Q86 M87 | D79-F83 WeakPolarHBondContact O-CB 3.29Å; D79-F83 PolarHBondContact O-N 3.23Å; V80-F83 PolarHBondContact O-N 3.03Å; E81-F83 VanDerWaalsContact C-N 3.34Å; E81-F83 PolarHBondContact O-N 3.32Å; F83-Q86 PolarHBondContact O-N 3.35Å; F83-M87 HydrophobicContact CD1-CE 4.29Å; F83-M87 HydrophobicContact CE1-CE 3.36Å; F83-M87 HydrophobicContact CE2-CE 3.99Å; F83-M87 HydrophobicContact CZ-CE 3.18Å; F83-M87 WeakPolarHBondContact O-CB 3.28Å; F83-M87 PolarHBondContact O-N 2.95Å |
| 84 | V | 90.1 | Very high | 82.5 | Confident | 76 Ų | 76 | 113.2 Ų | 113.2 | 46% | 0.461 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.7 | -43.2 | 175.6 | 172.5 | 0 | 0 | 0 | 0 | 111 | V80 E81 M87 M88 | V80-V84 VanDerWaalsContact O-CG2 3.29Å; V80-V84 WeakPolarHBondContact O-CG2 3.39Å; V80-V84 PolarHBondContact O-N 3.5Å; E81-V84 PolarHBondContact O-N 3.42Å; V84-M87 PolarHBondContact O-N 3.35Å; V84-M88 PolarHBondContact O-N 3.01Å |
| 85 | G | 91.6 | Very high | 83.8 | Confident | 40 Ų | 40 | 115.2 Ų | 115.2 | 41% | 0.412 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -59.6 | -46.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E81 R82 M87 M88 E89 | E81-G85 PolarHBondContact O-N 3.06Å; R82-G85 PolarHBondContact O-N 2.96Å; G85-M87 PolarHBondContact O-N 2.93Å; G85-M88 PolarHBondContact O-N 3.16Å; G85-E89 PolarHBondContact O-N 3.47Å |
| 86 | Q | 92.8 | Very high | 85.1 | Confident | 81 Ų | 81 | 111.8 Ų | 111.8 | 38% | 0.379 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.7 | -43 | 176.6 | -73.2 | 177.3 | 9.4 | 0 | 0 | 112.2 | R82 F83 M88 E89 I90 | R82-Q86 VanDerWaalsContact O-CG 3.32Å; R82-Q86 WeakPolarHBondContact O-CG 3.49Å; R82-Q86 PolarHBondContact O-N 3.17Å; F83-Q86 PolarHBondContact O-N 3.35Å; Q86-M88 PolarHBondContact O-N 3.42Å; Q86-E89 PolarHBondContact O-N 2.95Å; Q86-I90 VanDerWaalsContact O-CG1 3.3Å; Q86-I90 WeakPolarHBondContact O-CG1 3.39Å; Q86-I90 PolarHBondContact O-N 3.39Å |
| 87 | M | 94 | Very high | 86.3 | Confident | 77 Ų | 77 | 113.8 Ų | 113.8 | 38% | 0.379 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.7 | -41.4 | 178.3 | -166.8 | 76.9 | 67.3 | 0 | 0 | 111.9 | F83 V84 G85 K91 | F83-M87 HydrophobicContact CD1-CE 4.29Å; F83-M87 HydrophobicContact CE1-CE 3.36Å; F83-M87 HydrophobicContact CE2-CE 3.99Å; F83-M87 HydrophobicContact CZ-CE 3.18Å; F83-M87 WeakPolarHBondContact O-CB 3.28Å; F83-M87 PolarHBondContact O-N 2.95Å; V84-M87 PolarHBondContact O-N 3.35Å; G85-M87 PolarHBondContact O-N 2.93Å; M87-K91 WeakPolarHBondContact O-CG 3.42Å; M87-K91 PolarHBondContact O-N 3.06Å |
| 88 | M | 93.3 | Very high | 87.3 | Confident | 136 Ų | 136 | 110.2 Ų | 110.2 | 67% | 0.67 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.4 | -41.7 | 174.5 | -82.2 | -163 | 172 | 0 | 0 | 111.9 | V84 G85 Q86 K91 R92 | V84-M88 PolarHBondContact O-N 3.01Å; G85-M88 PolarHBondContact O-N 3.16Å; Q86-M88 PolarHBondContact O-N 3.42Å; M88-K91 PolarHBondContact O-N 3.38Å; M88-R92 WeakPolarHBondContact O-CB 3.41Å; M88-R92 PolarHBondContact O-N 3.42Å |
| 89 | E | 93.9 | Very high | 88 | Confident | 81 Ų | 81 | 110.1 Ų | 110.1 | 38% | 0.379 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.8 | -41.6 | 178.7 | -175 | 171.1 | -179.6 | 0 | 0 | 112.4 | G85 Q86 R92 K93 | G85-E89 PolarHBondContact O-N 3.47Å; Q86-E89 PolarHBondContact O-N 2.95Å; E89-R92 PolarHBondContact O-N 2.98Å; E89-R92 IonicContact OE1-NH2 3.48Å; E89-K93 PolarHBondContact O-N 3.36Å; E89-K93 VanDerWaalsContact OE1-CE 3.29Å; E89-K93 WeakPolarHBondContact OE1-CE 3.4Å; E89-K93 IonicContact OE1-NZ 3.35Å; E89-K93 PolarHBondContact OE1-NZ 3.32Å |
| 90 | I | 95.4 | Very high | 88 | Confident | 102 Ų | 102 | 114.2 Ų | 114.2 | 52% | 0.523 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.1 | -50.1 | 175 | -68 | 165.3 | 0 | 0 | 0 | 109.9 | Q86 R92 K93 T94 | Q86-I90 VanDerWaalsContact O-CG1 3.3Å; Q86-I90 WeakPolarHBondContact O-CG1 3.39Å; Q86-I90 PolarHBondContact O-N 3.39Å; I90-R92 VanDerWaalsContact C-N 3.29Å; I90-R92 PolarHBondContact O-N 2.92Å; I90-K93 PolarHBondContact O-N 3.44Å; I90-T94 PolarHBondContact O-N 2.81Å; I90-T94 PolarHBondContact O-OG1 3.49Å; I90-T94 VanDerWaalsContact O-OG1 3.06Å |
| 91 | K | 92.8 | Very high | 87.2 | Confident | 143 Ų | 143 | 115 Ų | 115 | 62% | 0.622 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -58.4 | -39.2 | 178.1 | -75.4 | -178.9 | 177.9 | -177.5 | 0 | 112.7 | M87 M88 R95 | M87-K91 WeakPolarHBondContact O-CG 3.42Å; M87-K91 PolarHBondContact O-N 3.06Å; M88-K91 PolarHBondContact O-N 3.38Å; K91-R95 WeakPolarHBondContact O-CB 3.3Å; K91-R95 PolarHBondContact O-N 2.99Å |
| 92 | R | 92.1 | Very high | 86.3 | Confident | 158 Ų | 158 | 115.4 Ų | 115.4 | 60% | 0.596 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.4 | -47.9 | 176.3 | -177.3 | -179.9 | 63.9 | -172.3 | -2 | 111.5 | M88 E89 I90 R95 E96 | M88-R92 WeakPolarHBondContact O-CB 3.41Å; M88-R92 PolarHBondContact O-N 3.42Å; E89-R92 PolarHBondContact O-N 2.98Å; E89-R92 IonicContact OE1-NH2 3.48Å; I90-R92 VanDerWaalsContact C-N 3.29Å; I90-R92 PolarHBondContact O-N 2.92Å; R92-R95 PolarHBondContact O-N 3.09Å; R92-E96 PolarHBondContact O-N 3.1Å |
| 93 | K | 92.6 | Very high | 85.2 | Confident | 112 Ų | 112 | 114.3 Ų | 114.3 | 49% | 0.487 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64 | -43.1 | 179.2 | -71.4 | 179.1 | -176.9 | 165.5 | 0 | 111.7 | E89 I90 R95 E96 Q97 | E89-K93 PolarHBondContact O-N 3.36Å; E89-K93 VanDerWaalsContact OE1-CE 3.29Å; E89-K93 WeakPolarHBondContact OE1-CE 3.4Å; E89-K93 IonicContact OE1-NZ 3.35Å; E89-K93 PolarHBondContact OE1-NZ 3.32Å; I90-K93 PolarHBondContact O-N 3.44Å; K93-R95 PolarHBondContact O-N 3.5Å; K93-E96 PolarHBondContact O-N 3.31Å; K93-Q97 WeakPolarHBondContact O-CB 3.29Å; K93-Q97 PolarHBondContact O-N 3.37Å |
| 94 | T | 90.8 | Very high | 83.8 | Confident | 61 Ų | 61 | 118.9 Ų | 118.9 | 37% | 0.374 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 176.8 | -52.9 | 0 | 0 | 0 | 0 | 111.7 | I90 Q97 Q98 | I90-T94 PolarHBondContact O-N 2.81Å; I90-T94 PolarHBondContact O-OG1 3.49Å; I90-T94 VanDerWaalsContact O-OG1 3.06Å; T94-Q97 PolarHBondContact O-N 2.88Å; T94-Q98 HydrophobicContact CG2-CG 4.5Å; T94-Q98 WeakPolarHBondContact O-CB 3.15Å; T94-Q98 VanDerWaalsContact O-CG 3.28Å; T94-Q98 WeakPolarHBondContact O-CG 3.32Å; T94-Q98 PolarHBondContact O-N 3.3Å |
| 95 | R | 87.8 | Confident | 82.3 | Confident | 168 Ų | 168 | 123.6 Ų | 123.6 | 63% | 0.634 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62.8 | -45.2 | 175.3 | -177.9 | 179.8 | 176.1 | -177.7 | 0.9 | 111.8 | K91 R92 K93 Q97 Q98 M99 | K91-R95 WeakPolarHBondContact O-CB 3.3Å; K91-R95 PolarHBondContact O-N 2.99Å; R92-R95 PolarHBondContact O-N 3.09Å; K93-R95 PolarHBondContact O-N 3.5Å; R95-Q97 VanDerWaalsContact C-N 3.32Å; R95-Q97 PolarHBondContact O-N 2.95Å; R95-Q98 PolarHBondContact O-N 2.82Å; R95-M99 HydrophobicContact CG-CG 4.45Å; R95-M99 HydrophobicContact CG-SD 4.09Å; R95-M99 WeakPolarHBondContact O-CB 3.11Å; R95-M99 VanDerWaalsContact O-CG 3.28Å; R95-M99 WeakPolarHBondContact O-CG 2.93Å; R95-M99 PolarHBondContact O-N 3.06Å |
| 96 | E | 85.9 | Confident | 80.9 | Confident | 97 Ų | 97 | 127.2 Ų | 127.2 | 45% | 0.453 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60.5 | -44.5 | 177.3 | -169.9 | -171.5 | 155.1 | 0 | 0 | 111.2 | R92 K93 M99 R100 | R92-E96 PolarHBondContact O-N 3.1Å; K93-E96 PolarHBondContact O-N 3.31Å; E96-M99 PolarHBondContact O-N 3.33Å; E96-R100 WeakPolarHBondContact O-CG 3.35Å; E96-R100 PolarHBondContact O-N 2.77Å; E96-R100 IonicContact OE1-CZ 3.85Å; E96-R100 IonicContact OE1-NE 3.95Å; E96-R100 PolarHBondContact OE1-NE 3.28Å; E96-R100 IonicContact OE1-NH2 2.81Å; E96-R100 PolarHBondContact OE1-NH2 3.48Å |
| 97 | Q | 85.2 | Confident | 79.3 | Confident | 121 Ų | 121 | 128.9 Ų | 128.9 | 57% | 0.565 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -63 | -44.8 | 176.9 | -169 | 170.3 | 6.1 | 0 | 0 | 111.7 | K93 T94 R95 M99 R100 H101 | K93-Q97 WeakPolarHBondContact O-CB 3.29Å; K93-Q97 PolarHBondContact O-N 3.37Å; T94-Q97 PolarHBondContact O-N 2.88Å; R95-Q97 VanDerWaalsContact C-N 3.32Å; R95-Q97 PolarHBondContact O-N 2.95Å; Q97-M99 VanDerWaalsContact C-N 3.34Å; Q97-M99 PolarHBondContact O-N 3.35Å; Q97-R100 PolarHBondContact O-N 2.95Å; Q97-H101 PolarHBondContact O-CD2 3.32Å; Q97-H101 PolarHBondContact O-N 2.83Å |
| 98 | Q | 80.9 | Confident | 78.2 | Confident | 133 Ų | 133 | 130.7 Ų | 130.7 | 62% | 0.621 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -60.2 | -40.8 | 175.1 | -75.1 | 178 | -2.3 | 0 | 0 | 112.3 | T94 R95 H101 Y102 | T94-Q98 HydrophobicContact CG2-CG 4.5Å; T94-Q98 WeakPolarHBondContact O-CB 3.15Å; T94-Q98 VanDerWaalsContact O-CG 3.28Å; T94-Q98 WeakPolarHBondContact O-CG 3.32Å; T94-Q98 PolarHBondContact O-N 3.3Å; R95-Q98 PolarHBondContact O-N 2.82Å; Q98-H101 PolarHBondContact O-N 2.85Å; Q98-Y102 PolarHBondContact O-N 2.73Å |
| 99 | M | 77.1 | Confident | 76.9 | Confident | 112 Ų | 112 | 132.7 Ų | 132.7 | 55% | 0.552 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -69 | -35 | 178.9 | -70.9 | -177.7 | 80.1 | 0 | 0 | 112.9 | R95 E96 Q97 H101 Y102 M103 | R95-M99 HydrophobicContact CG-CG 4.45Å; R95-M99 HydrophobicContact CG-SD 4.09Å; R95-M99 WeakPolarHBondContact O-CB 3.11Å; R95-M99 VanDerWaalsContact O-CG 3.28Å; R95-M99 WeakPolarHBondContact O-CG 2.93Å; R95-M99 PolarHBondContact O-N 3.06Å; E96-M99 PolarHBondContact O-N 3.33Å; Q97-M99 VanDerWaalsContact C-N 3.34Å; Q97-M99 PolarHBondContact O-N 3.35Å; M99-H101 VanDerWaalsContact C-N 3.27Å; M99-H101 PolarHBondContact O-N 2.79Å; M99-Y102 PolarHBondContact O-N 2.79Å; M99-M103 PolarHBondContact O-N 3.03Å |
| 100 | R | 71.9 | Confident | 75.6 | Confident | 171 Ų | 171 | 133.4 Ų | 133.4 | 65% | 0.645 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -61.4 | -35.7 | 174.5 | -74.4 | 179.2 | -175.2 | -139.5 | 4.5 | 112.4 | E96 Q97 | E96-R100 WeakPolarHBondContact O-CG 3.35Å; E96-R100 PolarHBondContact O-N 2.77Å; E96-R100 IonicContact OE1-CZ 3.85Å; E96-R100 IonicContact OE1-NE 3.95Å; E96-R100 PolarHBondContact OE1-NE 3.28Å; E96-R100 IonicContact OE1-NH2 2.81Å; E96-R100 PolarHBondContact OE1-NH2 3.48Å; Q97-R100 PolarHBondContact O-N 2.95Å |
| 101 | H | 67.2 | Low | 74.1 | Confident | 112 Ų | 112 | 135.4 Ų | 135.4 | 52% | 0.519 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -74.5 | -31.7 | 177.4 | -68 | -63.3 | 0 | 0 | 0 | 112.5 | Q97 Q98 M99 F105 | Q97-H101 PolarHBondContact O-CD2 3.32Å; Q97-H101 PolarHBondContact O-N 2.83Å; Q98-H101 PolarHBondContact O-N 2.85Å; M99-H101 VanDerWaalsContact C-N 3.27Å; M99-H101 PolarHBondContact O-N 2.79Å; H101-F105 WeakPolarHBondContact O-CD2 3.34Å |
| 102 | Y | 64.2 | Low | 72.6 | Confident | 162 Ų | 162 | 135.8 Ų | 135.8 | 64% | 0.635 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -69.4 | -41.9 | 179.9 | -172.3 | -101.7 | 0 | 0 | 0 | 113.1 | Q98 M99 R104 F105 | Q98-Y102 PolarHBondContact O-N 2.73Å; M99-Y102 PolarHBondContact O-N 2.79Å; Y102-R104 VanDerWaalsContact C-N 3.27Å; Y102-R104 PolarHBondContact O-N 3.04Å; Y102-F105 PolarHBondContact O-N 3.3Å |
| 103 | M | 61.4 | Low | 71.5 | Confident | 137 Ų | 137 | 135 Ų | 135 | 68% | 0.675 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -68.2 | -23.3 | -178.5 | -74.1 | -71.7 | -86 | 0 | 0 | 113.7 | M99 F105 | M99-M103 PolarHBondContact O-N 3.03Å; M103-F105 VanDerWaalsContact C-N 3.32Å; M103-F105 PolarHBondContact O-N 2.78Å |
| 104 | R | 59.5 | Low | 70 | Confident | 217 Ų | 217 | 139 Ų | 139 | 82% | 0.819 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -15.6 | -175.7 | -131.4 | 179.5 | -172.8 | -171 | 1.2 | 114 | Y102 | Y102-R104 VanDerWaalsContact C-N 3.27Å; Y102-R104 PolarHBondContact O-N 3.04Å |
| 105 | F | 58 | Low | 68.6 | Low | 174 Ų | 174 | 143 Ų | 143 | 76% | 0.763 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.1 | 0.1 | 178.2 | -64.2 | -70.4 | 0 | 0 | 0 | 113.3 | H101 Y102 M103 T107 | H101-F105 WeakPolarHBondContact O-CD2 3.34Å; Y102-F105 PolarHBondContact O-N 3.3Å; M103-F105 VanDerWaalsContact C-N 3.32Å; M103-F105 PolarHBondContact O-N 2.78Å; F105-T107 VanDerWaalsContact C-N 3.31Å; F105-T107 PolarHBondContact O-N 2.81Å |
| 106 | Q | 61.9 | Low | 67.3 | Low | 117 Ų | 117 | 144.5 Ų | 144.5 | 55% | 0.547 | 68% | 0.684 | S | S | . | * | | | trans | -97.1 | 32.5 | 178.6 | -152.6 | 168.8 | 39.2 | 0 | 0 | 111.9 | P108 | Q106-P108 VanDerWaalsContact O-CD 3.32Å; Q106-P108 WeakPolarHBondContact O-CD 3.01Å |
| 107 | T | 60.6 | Low | 66.4 | Low | 115 Ų | 115 | 144.9 Ų | 144.9 | 71% | 0.706 | 70% | 0.696 | S | S | * | * | | | trans | -70.1 | 115.9 | 153.7 | 33.4 | 0 | 0 | 0 | 0 | 106.6 | F105 E109 | F105-T107 VanDerWaalsContact C-N 3.31Å; F105-T107 PolarHBondContact O-N 2.81Å; T107-E109 PolarHBondContact O-N 2.89Å |
| 108 | P | 69.4 | Low | 65.5 | Low | 115 Ų | 115 | 146.3 Ų | 146.3 | 75% | 0.747 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 135.4 | 167.3 | -15.8 | 28.9 | 0 | 0 | 0 | 107.1 | Q106 P110 | Q106-P108 VanDerWaalsContact O-CD 3.32Å; Q106-P108 WeakPolarHBondContact O-CD 3.01Å; P108-P110 VanDerWaalsContact O-N 3.15Å |
| 109 | E | 66.8 | Low | 64.5 | Low | 179 Ų | 179 | 147.6 Ų | 147.6 | 84% | 0.836 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -46.1 | 124.4 | 168.1 | -167.6 | 170.1 | -165.2 | 0 | 0 | 107.5 | T107 D111 | T107-E109 PolarHBondContact O-N 2.89Å; E109-D111 PolarHBondContact O-N 3.17Å |
| 110 | P | 66.4 | Low | 64.1 | Low | 96 Ų | 96 | 151.3 Ų | 151.3 | 62% | 0.623 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 116.6 | 178.7 | 23.7 | -31 | 0 | 0 | 0 | 106.4 | P108 N112 | P108-P110 VanDerWaalsContact O-N 3.15Å; P110-N112 VanDerWaalsContact C-N 3.25Å; P110-N112 PolarHBondContact O-N 2.92Å |
| 111 | D | 64.1 | Low | 63.7 | Low | 144 Ų | 144 | 150.4 Ų | 150.4 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | | | trans | -59.8 | 93.5 | 175.1 | -172.5 | 13.3 | 0 | 0 | 0 | 107.3 | E109 H113 | E109-D111 PolarHBondContact O-N 3.17Å; D111-H113 PolarHBondContact O-N 2.99Å; D111-H113 WeakPolarHBondContact OD1-CB 3.38Å |
| 112 | N | 61.6 | Low | 63.5 | Low | 150 Ų | 150 | 152.4 Ų | 152.4 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | | | trans | -74.4 | 47.9 | -179.1 | -90.8 | -35.6 | 0 | 0 | 0 | 110 | P110 | P110-N112 VanDerWaalsContact C-N 3.25Å; P110-N112 PolarHBondContact O-N 2.92Å |
| 113 | H | 67.5 | Low | 63.5 | Low | 143 Ų | 143 | 151.8 Ų | 151.8 | 66% | 0.662 | 77% | 0.773 | S | S | * | * | | | trans | -102.8 | 11.7 | -176.5 | -149.9 | 24.1 | 0 | 0 | 0 | 114.8 | D111 | D111-H113 PolarHBondContact O-N 2.99Å; D111-H113 WeakPolarHBondContact OD1-CB 3.38Å |
| 114 | Y | 61.9 | Low | 63.6 | Low | 196 Ų | 196 | 152.7 Ų | 152.7 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -141.2 | 114.9 | 171.7 | -84.8 | -85.8 | 0 | 0 | 0 | 111.1 | | |
| 115 | D | 61.3 | Low | 63.8 | Low | 145 Ų | 145 | 148.7 Ų | 148.7 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | | | trans | 155.4 | 28.2 | 144.6 | -75.8 | -6.7 | 0 | 0 | 0 | 114.4 | | |
| 116 | F | 61.5 | Low | 64.2 | Low | 199 Ų | 199 | 147 Ų | 147 | 87% | 0.873 | 78% | 0.778 | S | S | * | * | | | trans | -102.7 | 47 | 155 | -65.7 | -75.4 | 0 | 0 | 0 | 111.3 | L118 | F116-L118 PolarHBondContact O-N 2.86Š|
| 117 | C | 66.6 | Low | 64.4 | Low | 105 Ų | 105 | 149.1 Ų | 149.1 | 71% | 0.709 | 79% | 0.794 | S | S | * | * | | | trans | -73.1 | 84.8 | 154.6 | -68.5 | 0 | 0 | 0 | 0 | 107.1 | I119 | C117-I119 PolarHBondContact O-N 2.76Š|
| 118 | L | 66.6 | Low | 64.7 | Low | 151 Ų | 151 | 151.8 Ų | 151.8 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | | | trans | -54.2 | 112.4 | 163.2 | -66.6 | 172.1 | 0 | 0 | 0 | 107.1 | F116 P120 | F116-L118 PolarHBondContact O-N 2.86Å; L118-P120 WeakPolarHBondContact O-CD 3.4Å |
| 119 | I | 60.1 | Low | 64.3 | Low | 159 Ų | 159 | 154.8 Ų | 154.8 | 82% | 0.815 | 81% | 0.806 | S | S | * | * | | | trans | -58.5 | 122.5 | 168.2 | -60 | 171.3 | 0 | 0 | 0 | 105.9 | C117 | C117-I119 PolarHBondContact O-N 2.76Š|
| 120 | P | 67.3 | Low | 64.1 | Low | 191 Ų | 191 | 152.6 Ų | 152.6 | 100% | 1.24 | 80% | 0.803 | S | S | * | * | | | trans | -62.7 | 0 | 177.3 | -10.7 | 22.2 | 0 | 0 | 0 | 112.5 | L118 | L118-P120 WeakPolarHBondContact O-CD 3.4Š|