| 1 | M | 41.4 | Very low | 46.6 | Very low | 246 Ų | 246 | 172.5 Ų | 172.5 | 100% | 1.212 | 88% | 0.879 | S | S | * | * | | | | 0 | 126.4 | 0 | -86.8 | 170.5 | 69.7 | 0 | 0 | 108.8 | | |
| 2 | M | 42.6 | Very low | 46.6 | Very low | 190 Ų | 190 | 163.2 Ų | 163.2 | 94% | 0.936 | 86% | 0.857 | S | S | * | * | | | trans | -64.8 | 140.9 | -162.7 | -62.1 | -156.1 | -173.7 | 0 | 0 | 114.8 | R4 | M2-R4 PolarHBondContact O-N 2.85Š|
| 3 | G | 45.6 | Very low | 46.2 | Very low | 73 Ų | 73 | 167.5 Ų | 167.5 | 75% | 0.753 | 86% | 0.855 | S | S | * | * | | | trans | -65 | 122.1 | 167 | 0 | 0 | 0 | 0 | 0 | 110.6 | R5 | G3-R5 PolarHBondContact O-N 3.41Š|
| 4 | R | 59.2 | Low | 46.2 | Very low | 243 Ų | 243 | 167.9 Ų | 167.9 | 92% | 0.917 | 86% | 0.86 | S | S | * | * | | | trans | -69.4 | 99.7 | 179.1 | -71 | -176.1 | -113 | -123.1 | 0.2 | 109.9 | M2 R6 | M2-R4 PolarHBondContact O-N 2.85Å; R4-R6 PolarHBondContact O-N 3.17Å |
| 5 | R | 54.9 | Low | 45.5 | Very low | 243 Ų | 243 | 161.1 Ų | 161.1 | 92% | 0.917 | 85% | 0.848 | S | S | * | * | | | trans | -63.5 | 122.3 | 160.2 | -63.2 | 178.6 | -175 | -107.7 | 1.2 | 107.1 | G3 A7 | G3-R5 PolarHBondContact O-N 3.41Å; R5-A7 PolarHBondContact O-N 3.5Å |
| 6 | R | 55.9 | Low | 45.6 | Very low | 233 Ų | 233 | 160.9 Ų | 160.9 | 88% | 0.879 | 86% | 0.856 | S | S | * | * | | | trans | -79.3 | 113.1 | 170.1 | -65.9 | -175.6 | -132.3 | -102.6 | 1.1 | 107 | R4 | R4-R6 PolarHBondContact O-N 3.17Š|
| 7 | A | 46.1 | Very low | 45.2 | Very low | 96 Ų | 96 | 154.5 Ų | 154.5 | 79% | 0.793 | 84% | 0.836 | S | S | * | * | | | trans | -72.6 | 137.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | R5 | R5-A7 PolarHBondContact O-N 3.5Š|
| 8 | F | 41.8 | Very low | 45.1 | Very low | 204 Ų | 204 | 156 Ų | 156 | 90% | 0.895 | 84% | 0.837 | S | S | * | * | | | trans | -79.8 | 116.3 | 167 | -62.9 | -84.5 | 0 | 0 | 0 | 107.6 | | |
| 9 | A | 41.8 | Very low | 45.3 | Very low | 100 Ų | 100 | 152.7 Ų | 152.7 | 83% | 0.826 | 84% | 0.844 | S | S | * | * | | | trans | -90.2 | 112.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | D11 | A9-D11 PolarHBondContact O-N 3.06Š|
| 10 | V | 45.2 | Very low | 45.3 | Very low | 134 Ų | 134 | 152.8 Ų | 152.8 | 81% | 0.812 | 84% | 0.842 | S | S | * | * | | | trans | -77.1 | 111.4 | 159.9 | 165.3 | 0 | 0 | 0 | 0 | 105.5 | G12 | V10-G12 VanDerWaalsContact C-N 3.31Å; V10-G12 PolarHBondContact O-N 3.31Å |
| 11 | D | 38 | Very low | 45.6 | Very low | 136 Ų | 136 | 149.2 Ų | 149.2 | 73% | 0.727 | 83% | 0.832 | S | S | * | * | | | trans | -72.4 | 92.4 | 171.1 | -166.3 | 18.2 | 0 | 0 | 0 | 107.8 | A9 R13 | A9-D11 PolarHBondContact O-N 3.06Å; D11-R13 VanDerWaalsContact C-N 3.34Å; D11-R13 PolarHBondContact O-N 3.21Å |
| 12 | G | 46.6 | Very low | 46.1 | Very low | 60 Ų | 60 | 148.9 Ų | 148.9 | 62% | 0.619 | 82% | 0.818 | S | S | * | * | | | trans | -79.7 | 83.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | V10 D14 | V10-G12 VanDerWaalsContact C-N 3.31Å; V10-G12 PolarHBondContact O-N 3.31Å; G12-D14 PolarHBondContact O-N 3.24Å |
| 13 | R | 41.6 | Very low | 46.9 | Very low | 219 Ų | 219 | 141.9 Ų | 141.9 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | | | trans | -85.5 | 96.2 | 163.3 | -86.5 | -176.3 | 150.1 | -123.8 | -4 | 108.8 | D11 G15 | D11-R13 VanDerWaalsContact C-N 3.34Å; D11-R13 PolarHBondContact O-N 3.21Å; R13-G15 PolarHBondContact O-N 3.35Å |
| 14 | D | 45.7 | Very low | 47.3 | Very low | 173 Ų | 173 | 143.2 Ų | 143.2 | 93% | 0.925 | 79% | 0.791 | S | S | * | * | | | trans | -60.1 | 114 | 158.9 | -74 | -35.8 | 0 | 0 | 0 | 108.5 | G12 | G12-D14 PolarHBondContact O-N 3.24Š|
| 15 | G | 36.7 | Very low | 47.3 | Very low | 66 Ų | 66 | 137.8 Ų | 137.8 | 68% | 0.68 | 78% | 0.779 | S | S | * | * | | | trans | -160.6 | 95 | -179.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | R13 G17 | R13-G15 PolarHBondContact O-N 3.35Å; G15-G17 PolarHBondContact O-N 3.32Å |
| 16 | T | 47 | Very low | 47.8 | Very low | 159 Ų | 159 | 130.7 Ų | 130.7 | 98% | 0.975 | 76% | 0.762 | S | S | * | * | | | trans | -34.1 | 123.6 | 171.7 | -28.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 17 | G | 37.7 | Very low | 47.7 | Very low | 51 Ų | 51 | 125.6 Ų | 125.6 | 53% | 0.526 | 76% | 0.759 | S | S | . | * | | | trans | 141.1 | 100.6 | 167 | 0 | 0 | 0 | 0 | 0 | 114.9 | G15 | G15-G17 PolarHBondContact O-N 3.32Š|
| 18 | E | 43.5 | Very low | 48.2 | Very low | 182 Ų | 182 | 125.1 Ų | 125.1 | 85% | 0.85 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 55.1 | 97.2 | 141.6 | -64.4 | 164.5 | -175.4 | 0 | 0 | 118.2 | L20 | E18-L20 PolarHBondContact O-N 3.34Š|
| 19 | G | 49.1 | Very low | 48.9 | Very low | 93 Ų | 93 | 119.5 Ų | 119.5 | 96% | 0.959 | 75% | 0.746 | S | S | * | * | | | trans | 52.3 | 36.6 | 134.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 20 | L | 44.8 | Very low | 49.6 | Very low | 154 Ų | 154 | 122.2 Ų | 122.2 | 81% | 0.806 | 75% | 0.753 | S | S | * | * | | | trans | -91.2 | 114.7 | 178.2 | -80.4 | 144 | 0 | 0 | 0 | 111.1 | E18 R22 | E18-L20 PolarHBondContact O-N 3.34Å; L20-R22 PolarHBondContact O-N 2.87Å |
| 21 | A | 52.9 | Low | 49.9 | Very low | 78 Ų | 78 | 118.3 Ų | 118.3 | 65% | 0.645 | 73% | 0.732 | S | S | * | * | | | trans | -47.9 | 121 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | G23 | A21-G23 PolarHBondContact O-N 3.47Š|
| 22 | R | 51.7 | Low | 51.1 | Low | 239 Ų | 239 | 116.6 Ų | 116.6 | 90% | 0.902 | 73% | 0.726 | S | S | * | * | | | trans | -62.3 | 97 | 174.4 | -70.4 | -176 | 176.9 | -159.3 | -0.7 | 109.8 | L20 | L20-R22 PolarHBondContact O-N 2.87Š|
| 23 | G | 58.8 | Low | 51.6 | Low | 44 Ų | 44 | 122 Ų | 122 | 45% | 0.454 | 73% | 0.729 | S | S | . | * | P | Polyproline II helix | trans | -89.1 | 139.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | A21 | A21-G23 PolarHBondContact O-N 3.47Š|
| 24 | C | 54.2 | Low | 52.7 | Low | 100 Ų | 100 | 121.9 Ų | 121.9 | 68% | 0.676 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 123.7 | 172.2 | 29.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 25 | I | 60.3 | Low | 53.2 | Low | 130 Ų | 130 | 123.1 Ų | 123.1 | 67% | 0.667 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -96 | 120.8 | 174 | -57.7 | 175.4 | 0 | 0 | 0 | 107.5 | T32 | I25-T32 HydrophobicContact CG1-CG2 4.44Š|
| 26 | V | 64.9 | Low | 54.3 | Low | 93 Ų | 93 | 126.7 Ų | 126.7 | 56% | 0.564 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 121.8 | 173.6 | -179.5 | 0 | 0 | 0 | 0 | 108.5 | G28 V29 | V26-G28 PolarHBondContact O-N 3.01Å; V26-V29 PolarHBondContact O-N 3.22Å |
| 27 | P | 52.8 | Low | 54.8 | Low | 126 Ų | 126 | 124.6 Ų | 124.6 | 82% | 0.818 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | 126.5 | 179.2 | -20.8 | 31.4 | 0 | 0 | 0 | 111.4 | | |
| 28 | G | 56.7 | Low | 55.4 | Low | 87 Ų | 87 | 128.9 Ų | 128.9 | 90% | 0.897 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 106.2 | -2.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | V26 | V26-G28 PolarHBondContact O-N 3.01Š|
| 29 | V | 56.3 | Low | 56 | Low | 85 Ų | 85 | 125.5 Ų | 125.5 | 52% | 0.515 | 73% | 0.726 | S | S | . | * | | | trans | -125.9 | 132.1 | 176.5 | -159.2 | 0 | 0 | 0 | 0 | 108.9 | V26 S31 | V26-V29 PolarHBondContact O-N 3.22Å; V29-S31 PolarHBondContact O-N 3.36Å |
| 30 | T | 57.2 | Low | 56 | Low | 158 Ų | 158 | 124.7 Ų | 124.7 | 97% | 0.969 | 71% | 0.71 | S | S | * | * | | | trans | -80.2 | 5.7 | 177.3 | 48.9 | 0 | 0 | 0 | 0 | 113.4 | | |
| 31 | S | 50.9 | Low | 55.8 | Low | 52 Ų | 52 | 127.1 Ų | 127.1 | 36% | 0.364 | 72% | 0.716 | S | S | . | * | | | trans | -93.4 | 117.4 | -179.4 | -174.4 | 0 | 0 | 0 | 0 | 110.5 | V29 | V29-S31 PolarHBondContact O-N 3.36Š|
| 32 | T | 63.6 | Low | 54.7 | Low | 100 Ų | 100 | 126.7 Ų | 126.7 | 61% | 0.613 | 72% | 0.72 | S | S | * | * | | | trans | -89.1 | 112.6 | 168.9 | 51.6 | 0 | 0 | 0 | 0 | 109.4 | I25 | I25-T32 HydrophobicContact CG1-CG2 4.44Š|
| 33 | Y | 56.8 | Low | 54 | Low | 172 Ų | 172 | 122 Ų | 122 | 68% | 0.675 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 120.9 | 171.5 | -74.3 | -90.7 | 0 | 0 | 0 | 109.9 | | |
| 34 | R | 65.3 | Low | 52.9 | Low | 218 Ų | 218 | 124.9 Ų | 124.9 | 82% | 0.823 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 128.3 | 169.2 | -68.8 | -166.1 | 177.1 | -148.3 | 0.1 | 109 | I36 | R34-I36 PolarHBondContact O-N 3.48Š|
| 35 | R | 56.6 | Low | 52 | Low | 198 Ų | 198 | 124.3 Ų | 124.3 | 75% | 0.747 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 117.3 | 172.7 | -164.1 | 175 | -176.4 | -173.5 | 0 | 108.2 | | |
| 36 | I | 59.7 | Low | 50.7 | Low | 141 Ų | 141 | 130 Ų | 130 | 72% | 0.723 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 123.4 | 171.1 | -58.4 | 172.2 | 0 | 0 | 0 | 106.3 | R34 D38 | R34-I36 PolarHBondContact O-N 3.48Å; I36-D38 PolarHBondContact O-N 2.94Å |
| 37 | P | 58 | Low | 49.1 | Very low | 115 Ų | 115 | 134.4 Ų | 134.4 | 75% | 0.747 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 119.9 | 178 | 25.4 | -30.1 | 0 | 0 | 0 | 109.6 | A39 | P37-A39 PolarHBondContact O-N 3.36Š|
| 38 | D | 49.2 | Very low | 48.1 | Very low | 142 Ų | 142 | 140.2 Ų | 140.2 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 119.1 | 171.5 | -71.2 | -41.9 | 0 | 0 | 0 | 108.8 | I36 A40 | I36-D38 PolarHBondContact O-N 2.94Å; D38-A40 PolarHBondContact O-N 3.23Å |
| 39 | A | 56.3 | Low | 46.8 | Very low | 111 Ų | 111 | 139.4 Ų | 139.4 | 92% | 0.917 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -72.5 | 73.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | P37 | P37-A39 PolarHBondContact O-N 3.36Š|
| 40 | A | 49.3 | Very low | 45.7 | Very low | 76 Ų | 76 | 142.2 Ų | 142.2 | 63% | 0.628 | 77% | 0.77 | S | S | * | * | | | trans | -160 | 82.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112 | D38 | D38-A40 PolarHBondContact O-N 3.23Š|
| 41 | H | 40.1 | Very low | 44.7 | Very low | 204 Ų | 204 | 143.2 Ų | 143.2 | 94% | 0.944 | 76% | 0.761 | S | S | * | * | | | trans | 173.5 | 128.5 | 134.6 | -104.5 | 65.9 | 0 | 0 | 0 | 110.8 | | |
| 42 | G | 29.7 | Very low | 44 | Very low | 70 Ų | 70 | 148.2 Ų | 148.2 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | | | trans | 154.7 | 51.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | S44 | G42-S44 PolarHBondContact O-N 3.46Š|
| 43 | C | 38.3 | Very low | 42.4 | Very low | 140 Ų | 140 | 155 Ų | 155 | 95% | 0.946 | 80% | 0.797 | S | S | * | * | | | trans | -75 | 107.5 | 154.2 | -171.3 | 0 | 0 | 0 | 0 | 106.6 | | |
| 44 | S | 34.5 | Very low | 41.2 | Very low | 105 Ų | 105 | 150.4 Ų | 150.4 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | | | trans | -142.5 | 110.1 | 165.2 | 62.2 | 0 | 0 | 0 | 0 | 110.6 | G42 | G42-S44 PolarHBondContact O-N 3.46Š|
| 45 | S | 35.4 | Very low | 39.7 | Very low | 88 Ų | 88 | 146.4 Ų | 146.4 | 62% | 0.615 | 80% | 0.801 | S | S | * | * | | | trans | 53.8 | 97.4 | 141.4 | -157.4 | 0 | 0 | 0 | 0 | 118.8 | E47 | S45-E47 PolarHBondContact O-N 3.42Å; S45-E47 VanDerWaalsContact O-N 3.11Å |
| 46 | W | 33.2 | Very low | 38.4 | Very low | 248 Ų | 248 | 143.9 Ų | 143.9 | 94% | 0.939 | 80% | 0.803 | S | S | * | * | | | trans | -32.1 | 103.5 | 139.1 | 49.4 | 0.7 | 0 | 0 | 0 | 113.9 | | |
| 47 | E | 30.8 | Very low | 37.4 | Very low | 187 Ų | 187 | 148.5 Ų | 148.5 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | | | trans | -120.5 | 125.5 | 158 | -156.5 | 158.3 | -157.8 | 0 | 0 | 109.8 | S45 | S45-E47 PolarHBondContact O-N 3.42Å; S45-E47 VanDerWaalsContact O-N 3.11Å |
| 48 | R | 32.6 | Very low | 36.3 | Very low | 247 Ų | 247 | 151.2 Ų | 151.2 | 93% | 0.932 | 81% | 0.814 | S | S | * | * | | | trans | -94.1 | 132.2 | -166.2 | 165.2 | -173.8 | -74.2 | -134.1 | -1.7 | 109.6 | | |
| 49 | G | 28.8 | Very low | 35.6 | Very low | 70 Ų | 70 | 148.2 Ų | 148.2 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | | | trans | 127.3 | 138.4 | 151.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 50 | D | 34 | Very low | 35.1 | Very low | 145 Ų | 145 | 151.1 Ų | 151.1 | 78% | 0.775 | 81% | 0.808 | S | S | * | * | | | cis | -165.8 | 167 | -6 | -156.7 | -2.3 | 0 | 0 | 0 | 107.9 | | |
| 51 | K | 35.3 | Very low | 34.6 | Very low | 179 Ų | 179 | 156.3 Ų | 156.3 | 78% | 0.778 | 82% | 0.816 | S | S | * | * | | | trans | 86.1 | 81 | 167.6 | -60.1 | 177.4 | 178.8 | 178.8 | 0 | 119.7 | | |
| 52 | L | 37.5 | Very low | 34.6 | Very low | 156 Ų | 156 | 154.8 Ų | 154.8 | 82% | 0.817 | 81% | 0.814 | S | S | * | * | | | | 37.5 | 116.6 | 114.4 | -60.9 | 170.8 | 0 | 0 | 0 | 119.4 | | |
| 53 | R | 29.7 | Very low | 34.8 | Very low | 244 Ų | 244 | 161 Ų | 161 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | | | | 160.7 | 121 | 102.6 | -176 | -179.6 | -62.3 | -94.2 | 0.4 | 110.3 | | |
| 54 | G | 30.6 | Very low | 34.9 | Very low | 75 Ų | 75 | 161.3 Ų | 161.3 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | | | trans | 152 | 71.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 55 | V | 33.3 | Very low | 34.9 | Very low | 133 Ų | 133 | 161.5 Ų | 161.5 | 81% | 0.806 | 82% | 0.821 | S | S | * | * | | | trans | -14 | 113.9 | 164.1 | -174 | 0 | 0 | 0 | 0 | 117.1 | | |
| 56 | N | 29.5 | Very low | 35.6 | Very low | 146 Ų | 146 | 161.8 Ų | 161.8 | 78% | 0.781 | 82% | 0.823 | S | S | * | * | | | | 179.6 | 108.2 | 124 | -102.1 | -53.5 | 0 | 0 | 0 | 109.3 | | |
| 57 | R | 39.8 | Very low | 36.3 | Very low | 238 Ų | 238 | 162 Ų | 162 | 90% | 0.898 | 82% | 0.823 | S | S | * | * | | | trans | -142.2 | 73.1 | 175.4 | -157.9 | -176.5 | -171.4 | -173.2 | 2.8 | 110.7 | | |
| 58 | E | 34 | Very low | 36.8 | Very low | 172 Ų | 172 | 160.8 Ų | 160.8 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | | | trans | -141.1 | 139.6 | 149.5 | -67.4 | 90.9 | -177 | 0 | 0 | 105.3 | | |
| 59 | A | 35.8 | Very low | 37.7 | Very low | 79 Ų | 79 | 155 Ų | 155 | 65% | 0.653 | 82% | 0.82 | S | S | * | * | | | cis | -160.8 | 153.6 | -6.5 | 0 | 0 | 0 | 0 | 0 | 105.2 | F61 | A59-F61 PolarHBondContact O-N 2.87Š|
| 60 | L | 44.4 | Very low | 38.8 | Very low | 171 Ų | 171 | 154.4 Ų | 154.4 | 90% | 0.895 | 82% | 0.815 | S | S | * | * | | | trans | -48.4 | 107 | 160.5 | -78.7 | 139.3 | 0 | 0 | 0 | 110.3 | | |
| 61 | F | 39.9 | Very low | 39.7 | Very low | 186 Ų | 186 | 153.5 Ų | 153.5 | 82% | 0.816 | 81% | 0.814 | S | S | * | * | | | trans | -149.9 | 111 | 148.7 | -78.6 | -70.4 | 0 | 0 | 0 | 108.4 | A59 K63 | A59-F61 PolarHBondContact O-N 2.87Å; F61-K63 VanDerWaalsContact C-N 3.25Å; F61-K63 PolarHBondContact O-N 3.43Å |
| 62 | L | 39.4 | Very low | 40.9 | Very low | 171 Ų | 171 | 153.7 Ų | 153.7 | 90% | 0.895 | 82% | 0.818 | S | S | * | * | | | trans | -51.5 | 96.5 | 155.7 | -79.5 | 135.9 | 0 | 0 | 0 | 107.3 | L64 | L62-L64 PolarHBondContact O-N 3.44Š|
| 63 | K | 33.6 | Very low | 41.4 | Very low | 201 Ų | 201 | 154.4 Ų | 154.4 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | | | trans | -75.3 | 96.3 | 177.2 | -155.2 | 168.6 | -175.6 | 170.6 | 0 | 106.5 | F61 A65 | F61-K63 VanDerWaalsContact C-N 3.25Å; F61-K63 PolarHBondContact O-N 3.43Å; K63-A65 PolarHBondContact O-N 3.28Å |
| 64 | L | 41.1 | Very low | 42.1 | Very low | 147 Ų | 147 | 147.6 Ų | 147.6 | 77% | 0.77 | 82% | 0.815 | S | S | * | * | | | trans | -48.8 | 112.9 | 163.1 | -83.9 | 85.7 | 0 | 0 | 0 | 108 | L62 S66 | L62-L64 PolarHBondContact O-N 3.44Å; L64-S66 VanDerWaalsContact C-N 3.32Å; L64-S66 PolarHBondContact O-N 3.19Å |
| 65 | A | 35.3 | Very low | 43 | Very low | 109 Ų | 109 | 150 Ų | 150 | 90% | 0.901 | 81% | 0.814 | S | S | * | * | | | trans | -84.3 | 83.2 | 162.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | K63 | K63-A65 PolarHBondContact O-N 3.28Š|
| 66 | S | 50 | Low | 43.1 | Very low | 94 Ų | 94 | 146.9 Ų | 146.9 | 66% | 0.657 | 81% | 0.809 | S | S | * | * | | | trans | -117 | 90.8 | 162.9 | 58.7 | 0 | 0 | 0 | 0 | 107.7 | L64 | L64-S66 VanDerWaalsContact C-N 3.32Å; L64-S66 PolarHBondContact O-N 3.19Å |
| 67 | R | 46.2 | Very low | 43.8 | Very low | 252 Ų | 252 | 147.2 Ų | 147.2 | 95% | 0.951 | 81% | 0.811 | S | S | * | * | | | trans | -163.5 | 89.2 | 168.3 | -130.1 | -178.7 | 177.7 | 176.6 | -0.8 | 110.9 | | |
| 68 | D | 42.7 | Very low | 43.5 | Very low | 161 Ų | 161 | 141.4 Ų | 141.4 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | | | trans | -153.8 | 114.5 | 138.4 | -161.6 | -2.8 | 0 | 0 | 0 | 109.1 | | |
| 69 | S | 50.7 | Low | 44 | Very low | 125 Ų | 125 | 139.3 Ų | 139.3 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | | | trans | -140.5 | 88.1 | 175.3 | 167 | 0 | 0 | 0 | 0 | 104.8 | | |
| 70 | G | 51.2 | Low | 44.2 | Very low | 59 Ų | 59 | 144 Ų | 144 | 61% | 0.608 | 82% | 0.821 | S | S | * | * | | | trans | -117.2 | 93.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 71 | V | 53.3 | Low | 43.6 | Very low | 126 Ų | 126 | 140.5 Ų | 140.5 | 76% | 0.764 | 82% | 0.817 | S | S | * | * | | | trans | -133 | 103.8 | 153.9 | 176.7 | 0 | 0 | 0 | 0 | 106.9 | | |
| 72 | E | 60.3 | Low | 43.2 | Very low | 183 Ų | 183 | 136.3 Ų | 136.3 | 86% | 0.855 | 82% | 0.817 | S | S | * | * | | | trans | -64.4 | 118.8 | 169.3 | 44.8 | -140.6 | 114.5 | 0 | 0 | 110.8 | A74 | E72-A74 PolarHBondContact O-N 2.98Š|
| 73 | M | 47.9 | Very low | 43.3 | Very low | 170 Ų | 170 | 136.6 Ų | 136.6 | 84% | 0.837 | 82% | 0.818 | S | S | * | * | | | trans | -80 | 107 | 173.5 | -66.4 | -66.2 | -69.5 | 0 | 0 | 108.7 | V75 | M73-V75 PolarHBondContact O-N 3.36Š|
| 74 | A | 45.7 | Very low | 43.8 | Very low | 101 Ų | 101 | 133 Ų | 133 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | | | trans | -70 | 119.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | E72 | E72-A74 PolarHBondContact O-N 2.98Š|
| 75 | V | 48 | Very low | 43.3 | Very low | 126 Ų | 126 | 129.1 Ų | 129.1 | 76% | 0.764 | 81% | 0.811 | S | S | * | * | | | trans | -61 | 127.6 | 167.9 | 167.5 | 0 | 0 | 0 | 0 | 109.1 | M73 | M73-V75 PolarHBondContact O-N 3.36Š|
| 76 | G | 37.1 | Very low | 43.1 | Very low | 68 Ų | 68 | 132.4 Ų | 132.4 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | | | trans | -138 | 92.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | S78 | G76-S78 PolarHBondContact O-N 2.67Š|
| 77 | D | 44.5 | Very low | 42.2 | Very low | 152 Ų | 152 | 133.7 Ų | 133.7 | 81% | 0.813 | 82% | 0.822 | S | S | * | * | | | trans | -62.7 | 127.2 | 170.5 | -63.3 | -49.9 | 0 | 0 | 0 | 109.8 | | |
| 78 | S | 33.5 | Very low | 41.7 | Very low | 117 Ų | 117 | 130.4 Ų | 130.4 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | | | trans | -121.5 | 122.7 | 170.2 | -69.3 | 0 | 0 | 0 | 0 | 110 | G76 | G76-S78 PolarHBondContact O-N 2.67Š|
| 79 | P | 44.6 | Very low | 41.2 | Very low | 128 Ų | 128 | 130.3 Ų | 130.3 | 83% | 0.831 | 82% | 0.817 | S | S | * | * | | | trans | -87.8 | 141.5 | 174.9 | 32.7 | -29.4 | 0 | 0 | 0 | 112.7 | | |
| 80 | L | 39 | Very low | 40.5 | Very low | 176 Ų | 176 | 128.7 Ų | 128.7 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | | | trans | -25.2 | 139 | 162.6 | -80.7 | 146.3 | 0 | 0 | 0 | 116.9 | | |
| 81 | A | 32 | Very low | 39.9 | Very low | 99 Ų | 99 | 133.6 Ų | 133.6 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | | | | -173.2 | 138.7 | 129.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 82 | A | 31.3 | Very low | 39.3 | Very low | 98 Ų | 98 | 134.6 Ų | 134.6 | 81% | 0.81 | 82% | 0.818 | S | S | * | * | | | trans | 85.6 | 99.8 | 147.6 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 83 | L | 42.4 | Very low | 38.4 | Very low | 176 Ų | 176 | 132 Ų | 132 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | | | trans | -72.4 | 150.8 | 141.5 | -70.7 | 167 | 0 | 0 | 0 | 109.6 | | |
| 84 | P | 42.6 | Very low | 38.1 | Very low | 126 Ų | 126 | 132.6 Ų | 132.6 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | | | | -147.2 | 166.4 | 98.3 | 37 | -20 | 0 | 0 | 0 | 111.8 | | |
| 85 | G | 30 | Very low | 37.5 | Very low | 66 Ų | 66 | 133.2 Ų | 133.2 | 68% | 0.68 | 81% | 0.813 | S | S | * | * | | | cis | 165.8 | 143.8 | 7.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 86 | L | 31.8 | Very low | 37 | Very low | 178 Ų | 178 | 132.8 Ų | 132.8 | 93% | 0.932 | 82% | 0.816 | S | S | * | * | | | trans | 54.6 | 124.3 | 147.5 | -46.5 | 179.8 | 0 | 0 | 0 | 121.6 | | |
| 87 | S | 31.8 | Very low | 36.5 | Very low | 121 Ų | 121 | 133.1 Ų | 133.1 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | | | | 158.4 | 140.1 | 103.7 | -171.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 88 | Q | 36.3 | Very low | 35.9 | Very low | 183 Ų | 183 | 131.2 Ų | 131.2 | 86% | 0.855 | 82% | 0.818 | S | S | * | * | | | trans | -82.6 | 161.1 | -175.2 | -70.3 | 153.1 | -46.9 | 0 | 0 | 113.8 | | |
| 89 | D | 31.1 | Very low | 36.2 | Very low | 158 Ų | 158 | 131.6 Ų | 131.6 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | | | trans | 103.2 | 130.5 | 131.6 | -132.3 | 3.5 | 0 | 0 | 0 | 120.9 | | |
| 90 | S | 37.1 | Very low | 35.6 | Very low | 92 Ų | 92 | 134 Ų | 134 | 64% | 0.643 | 82% | 0.818 | S | S | * | * | | | trans | 47.7 | 129.6 | 150.9 | -151.8 | 0 | 0 | 0 | 0 | 121.3 | | |
| 91 | L | 37.7 | Very low | 36 | Very low | 161 Ų | 161 | 130.9 Ų | 130.9 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | | | | -178.1 | 132.5 | 104.8 | -88.4 | 175.3 | 0 | 0 | 0 | 111.8 | | |
| 92 | D | 41.5 | Very low | 36.4 | Very low | 148 Ų | 148 | 132 Ų | 132 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | | | trans | -75.7 | 130 | 170.6 | -163.2 | 1.6 | 0 | 0 | 0 | 109.9 | | |
| 93 | V | 40.3 | Very low | 36.9 | Very low | 127 Ų | 127 | 133.4 Ų | 133.4 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | | | trans | -149.9 | 102.1 | 164 | -177.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 94 | E | 41.5 | Very low | 37.2 | Very low | 184 Ų | 184 | 133.5 Ų | 133.5 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | | | trans | -64.3 | 136.5 | 154 | -115.5 | -179.6 | 99.1 | 0 | 0 | 110.1 | | |
| 95 | S | 33.9 | Very low | 37.3 | Very low | 114 Ų | 114 | 133.6 Ų | 133.6 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | | | trans | -149.8 | 117.3 | 155.5 | -168.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 96 | S | 36.7 | Very low | 38.5 | Very low | 116 Ų | 116 | 138 Ų | 138 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | | | trans | -70 | 146.3 | 172.6 | 59.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 97 | G | 27.5 | Very low | 39.6 | Very low | 75 Ų | 75 | 135.9 Ų | 135.9 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | | | trans | 133.1 | 118.5 | 140.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 98 | S | 30.7 | Very low | 40.8 | Very low | 113 Ų | 113 | 134.3 Ų | 134.3 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | | | trans | 88.6 | 119.7 | 153 | -157.6 | 0 | 0 | 0 | 0 | 119.4 | | |
| 99 | P | 40.4 | Very low | 41.9 | Very low | 125 Ų | 125 | 131.7 Ų | 131.7 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | | | trans | -93.6 | 113.9 | 163.2 | 32.7 | -23.5 | 0 | 0 | 0 | 110.9 | | |
| 100 | E | 32.8 | Very low | 43.2 | Very low | 178 Ų | 178 | 127.8 Ų | 127.8 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 135.1 | 164.3 | -157.6 | 171.5 | -173.4 | 0 | 0 | 108.6 | | |
| 101 | P | 45.8 | Very low | 44.4 | Very low | 110 Ų | 110 | 125.3 Ų | 125.3 | 71% | 0.714 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 133.2 | -174.4 | 30.3 | -32.3 | 0 | 0 | 0 | 111.3 | T103 | P101-T103 PolarHBondContact O-N 3.01Š|
| 102 | P | 41.5 | Very low | 46.1 | Very low | 122 Ų | 122 | 123.1 Ų | 123.1 | 79% | 0.792 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 122.5 | 172.8 | 26.7 | -30.7 | 0 | 0 | 0 | 110.5 | H104 | P102-H104 PolarHBondContact O-N 3.03Š|
| 103 | T | 41.5 | Very low | 47.6 | Very low | 129 Ų | 129 | 122.8 Ų | 122.8 | 79% | 0.791 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 123.3 | 166.7 | 41.2 | 0 | 0 | 0 | 0 | 112.2 | P101 V105 | P101-T103 PolarHBondContact O-N 3.01Å; T103-V105 PolarHBondContact O-N 3.07Å |
| 104 | H | 48 | Very low | 49.4 | Very low | 178 Ų | 178 | 122 Ų | 122 | 82% | 0.824 | 71% | 0.711 | S | S | * | * | | | trans | 30 | 85.7 | 147.7 | -105.8 | -92.4 | 0 | 0 | 0 | 116.6 | P102 | P102-H104 PolarHBondContact O-N 3.03Š|
| 105 | V | 45.5 | Very low | 51.1 | Low | 127 Ų | 127 | 115 Ų | 115 | 77% | 0.77 | 69% | 0.688 | S | S | * | * | | | trans | -88.8 | 128.6 | 160.1 | -156.5 | 0 | 0 | 0 | 0 | 107.2 | T103 Q107 | T103-V105 PolarHBondContact O-N 3.07Å; V105-Q107 PolarHBondContact O-N 3.26Å |
| 106 | D | 54.5 | Low | 53.1 | Low | 158 Ų | 158 | 113.9 Ų | 113.9 | 85% | 0.845 | 67% | 0.67 | S | S | * | * | | | trans | -40.8 | 98.3 | -173.2 | -70.4 | -56.7 | 0 | 0 | 0 | 113.6 | P108 | D106-P108 WeakPolarHBondContact O-CD 3.43Š|
| 107 | Q | 54.9 | Low | 54.9 | Low | 134 Ų | 134 | 112.9 Ų | 112.9 | 63% | 0.626 | 66% | 0.659 | S | S | * | * | | | trans | -75.1 | 120.9 | -178 | -170.7 | 151.9 | 43.3 | 0 | 0 | 108.2 | V105 L109 S111 | V105-Q107 PolarHBondContact O-N 3.26Å; Q107-L109 PolarHBondContact O-N 3.34Å; Q107-S111 WeakPolarHBondContact CG-OG 3.26Å |
| 108 | P | 56.5 | Low | 57.1 | Low | 89 Ų | 89 | 113.4 Ų | 113.4 | 58% | 0.578 | 64% | 0.643 | S | S | * | * | | | trans | -58.1 | 138.6 | -173.5 | 20 | -31.5 | 0 | 0 | 0 | 110.6 | D106 A110 S111 | D106-P108 WeakPolarHBondContact O-CD 3.43Å; P108-A110 PolarHBondContact O-N 3.31Å; P108-S111 PolarHBondContact O-N 3.32Å; P108-S111 PolarHBondContact O-OG 2.93Å |
| 109 | L | 60.8 | Low | 59.1 | Low | 127 Ų | 127 | 112.9 Ų | 112.9 | 67% | 0.665 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -48.8 | -26 | -173.6 | -140.7 | 90.7 | 0 | 0 | 0 | 114.2 | Q107 K113 | Q107-L109 PolarHBondContact O-N 3.34Å; L109-K113 PolarHBondContact O-N 2.95Å |
| 110 | A | 57 | Low | 60.4 | Low | 77 Ų | 77 | 114.8 Ų | 114.8 | 64% | 0.636 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66.6 | -39.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114 | P108 K113 L114 | P108-A110 PolarHBondContact O-N 3.31Å; A110-K113 PolarHBondContact O-N 3.43Å; A110-L114 PolarHBondContact O-N 3.35Å; A110-L114 VanDerWaalsContact O-N 3.14Å |
| 111 | S | 63.3 | Low | 61.8 | Low | 40 Ų | 40 | 109.6 Ų | 109.6 | 28% | 0.28 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -76.9 | -29.6 | 177.9 | 48.1 | 0 | 0 | 0 | 0 | 112 | Q107 P108 K113 L114 G115 | Q107-S111 WeakPolarHBondContact CG-OG 3.26Å; P108-S111 PolarHBondContact O-N 3.32Å; P108-S111 PolarHBondContact O-OG 2.93Å; S111-K113 VanDerWaalsContact C-N 3.35Å; S111-L114 PolarHBondContact O-N 3.14Å; S111-G115 PolarHBondContact O-N 2.82Å |
| 112 | Q | 72.5 | Confident | 62.3 | Low | 115 Ų | 115 | 111.6 Ų | 111.6 | 54% | 0.537 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -64.5 | -38.9 | 170.3 | -166.3 | -178.2 | 38.8 | 0 | 0 | 112 | G115 Q116 | Q112-G115 PolarHBondContact O-N 3.47Å; Q112-Q116 WeakPolarHBondContact O-CB 3.49Å; Q112-Q116 PolarHBondContact O-N 3.5Å |
| 113 | K | 73.2 | Confident | 62.9 | Low | 141 Ų | 141 | 114.7 Ų | 114.7 | 61% | 0.613 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67.5 | -38.9 | 174.9 | -76.8 | -165.8 | 177.2 | -170.2 | 0 | 112.5 | L109 A110 S111 Q116 V117 | L109-K113 PolarHBondContact O-N 2.95Å; A110-K113 PolarHBondContact O-N 3.43Å; S111-K113 VanDerWaalsContact C-N 3.35Å; K113-Q116 PolarHBondContact O-N 2.79Å; K113-V117 VanDerWaalsContact O-CG2 3.3Å; K113-V117 WeakPolarHBondContact O-CG2 3.41Å; K113-V117 PolarHBondContact O-N 3.47Å |
| 114 | L | 78.8 | Confident | 63.1 | Low | 111 Ų | 111 | 115.3 Ų | 115.3 | 58% | 0.581 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.3 | -42.9 | 174.8 | -173.3 | 65.4 | 0 | 0 | 0 | 111.2 | A110 S111 Q116 V117 L118 | A110-L114 PolarHBondContact O-N 3.35Å; A110-L114 VanDerWaalsContact O-N 3.14Å; S111-L114 PolarHBondContact O-N 3.14Å; L114-Q116 PolarHBondContact O-N 2.8Å; L114-V117 PolarHBondContact O-N 3.21Å; L114-L118 HydrophobicContact CG-CD1 4.17Å; L114-L118 PolarHBondContact O-N 3.45Å |
| 115 | G | 76.8 | Confident | 62.9 | Low | 36 Ų | 36 | 112.5 Ų | 112.5 | 37% | 0.371 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -58.5 | -45.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | S111 Q112 V117 L118 E119 | S111-G115 PolarHBondContact O-N 2.82Å; Q112-G115 PolarHBondContact O-N 3.47Å; G115-V117 VanDerWaalsContact C-N 3.31Å; G115-V117 PolarHBondContact O-N 3.33Å; G115-L118 PolarHBondContact O-N 3.2Å; G115-E119 WeakPolarHBondContact O-CB 3.5Å; G115-E119 PolarHBondContact O-N 3.21Å |
| 116 | Q | 75.3 | Confident | 62.8 | Low | 90 Ų | 90 | 113.3 Ų | 113.3 | 42% | 0.421 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -66.5 | -27 | 176.6 | -96.7 | -174.3 | 40 | 0 | 0 | 114.6 | Q112 K113 L114 R120 | Q112-Q116 WeakPolarHBondContact O-CB 3.49Å; Q112-Q116 PolarHBondContact O-N 3.5Å; K113-Q116 PolarHBondContact O-N 2.79Å; L114-Q116 PolarHBondContact O-N 2.8Å; Q116-R120 WeakPolarHBondContact O-CB 3.48Å; Q116-R120 VanDerWaalsContact O-CG 3.26Å; Q116-R120 WeakPolarHBondContact O-CG 3.3Å; Q116-R120 PolarHBondContact O-N 3.36Å; Q116-R120 PolarHBondContact O-NH1 3.3Å |
| 117 | V | 75.1 | Confident | 62 | Low | 96 Ų | 96 | 109.7 Ų | 109.7 | 58% | 0.582 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -77.9 | -41.7 | 174.9 | 170.3 | 0 | 0 | 0 | 0 | 110.2 | K113 L114 G115 R120 S121 | K113-V117 VanDerWaalsContact O-CG2 3.3Å; K113-V117 WeakPolarHBondContact O-CG2 3.41Å; K113-V117 PolarHBondContact O-N 3.47Å; L114-V117 PolarHBondContact O-N 3.21Å; G115-V117 VanDerWaalsContact C-N 3.31Å; G115-V117 PolarHBondContact O-N 3.33Å; V117-R120 PolarHBondContact O-N 3.22Å; V117-S121 PolarHBondContact O-N 3.08Å |
| 118 | L | 74.5 | Confident | 61.4 | Low | 86 Ų | 86 | 109.3 Ų | 109.3 | 45% | 0.45 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -63 | -45.5 | 175 | -83.6 | 160.2 | 0 | 0 | 0 | 111.6 | L114 G115 R120 S121 H122 | L114-L118 HydrophobicContact CG-CD1 4.17Å; L114-L118 PolarHBondContact O-N 3.45Å; G115-L118 PolarHBondContact O-N 3.2Å; L118-R120 VanDerWaalsContact C-N 3.27Å; L118-R120 PolarHBondContact O-N 3.09Å; L118-S121 WeakPolarHBondContact CA-OG 2.97Å; L118-S121 PolarHBondContact O-N 3.43Å; L118-S121 PolarHBondContact O-OG 3.48Å; L118-H122 PolarHBondContact O-CD2 3.02Å; L118-H122 PolarHBondContact O-N 3.12Å |
| 119 | E | 71.4 | Confident | 60.4 | Low | 101 Ų | 101 | 109.2 Ų | 109.2 | 47% | 0.472 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -63 | -35 | 178.2 | -153.9 | -168.4 | 153.7 | 0 | 0 | 111.8 | G115 H122 R123 | G115-E119 WeakPolarHBondContact O-CB 3.5Å; G115-E119 PolarHBondContact O-N 3.21Å; E119-H122 PolarHBondContact O-N 3.47Å; E119-R123 WeakPolarHBondContact O-CG 3.49Å; E119-R123 PolarHBondContact O-N 3.47Å; E119-R123 IonicContact OE1-CZ 3.69Å; E119-R123 IonicContact OE1-NE 3.71Å; E119-R123 IonicContact OE1-NH2 2.85Å; E119-R123 PolarHBondContact OE1-NH2 2.78Å |
| 120 | R | 67.7 | Low | 59.3 | Low | 165 Ų | 165 | 108.2 Ų | 108.2 | 62% | 0.623 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -68.2 | -33.1 | 172.1 | -78.3 | -179.9 | 171.3 | 95.8 | -2.9 | 113 | Q116 V117 L118 | Q116-R120 WeakPolarHBondContact O-CB 3.48Å; Q116-R120 VanDerWaalsContact O-CG 3.26Å; Q116-R120 WeakPolarHBondContact O-CG 3.3Å; Q116-R120 PolarHBondContact O-N 3.36Å; Q116-R120 PolarHBondContact O-NH1 3.3Å; V117-R120 PolarHBondContact O-N 3.22Å; L118-R120 VanDerWaalsContact C-N 3.27Å; L118-R120 PolarHBondContact O-N 3.09Å |
| 121 | S | 63.5 | Low | 58.3 | Low | 70 Ų | 70 | 113.3 Ų | 113.3 | 49% | 0.49 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -72.1 | -30.2 | 173.4 | 64.9 | 0 | 0 | 0 | 0 | 113.2 | V117 L118 R123 | V117-S121 PolarHBondContact O-N 3.08Å; L118-S121 WeakPolarHBondContact CA-OG 2.97Å; L118-S121 PolarHBondContact O-N 3.43Å; L118-S121 PolarHBondContact O-OG 3.48Å; S121-R123 VanDerWaalsContact C-N 3.34Å |
| 122 | H | 55.5 | Low | 57.3 | Low | 152 Ų | 152 | 117.2 Ų | 117.2 | 70% | 0.704 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -78.9 | -14.2 | 176.6 | -73.3 | -66.9 | 0 | 0 | 0 | 113.8 | L118 E119 | L118-H122 PolarHBondContact O-CD2 3.02Å; L118-H122 PolarHBondContact O-N 3.12Å; E119-H122 PolarHBondContact O-N 3.47Å |
| 123 | R | 54.7 | Low | 55.7 | Low | 187 Ų | 187 | 114.6 Ų | 114.6 | 71% | 0.706 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | 10.2 | 174.9 | -71.8 | -171.9 | -169.2 | -155.6 | 6.7 | 114.4 | E119 S121 | E119-R123 WeakPolarHBondContact O-CG 3.49Å; E119-R123 PolarHBondContact O-N 3.47Å; E119-R123 IonicContact OE1-CZ 3.69Å; E119-R123 IonicContact OE1-NE 3.71Å; E119-R123 IonicContact OE1-NH2 2.85Å; E119-R123 PolarHBondContact OE1-NH2 2.78Å; S121-R123 VanDerWaalsContact C-N 3.34Å |
| 124 | L | 45 | Very low | 53.6 | Low | 142 Ų | 142 | 117.3 Ų | 117.3 | 74% | 0.743 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -75.9 | 124.7 | 168.8 | -129.8 | 78.6 | 0 | 0 | 0 | 109.1 | T126 | L124-T126 PolarHBondContact O-N 2.9Š|
| 125 | P | 44.8 | Very low | 51.9 | Low | 119 Ų | 119 | 121.2 Ų | 121.2 | 77% | 0.773 | 69% | 0.687 | S | S | * | * | | | trans | -66.2 | 127.2 | -170.6 | -19.5 | 30.9 | 0 | 0 | 0 | 112.9 | A127 | P125-A127 PolarHBondContact O-N 3.05Š|
| 126 | T | 43.7 | Very low | 49.7 | Very low | 143 Ų | 143 | 129.8 Ų | 129.8 | 88% | 0.877 | 71% | 0.708 | S | S | * | * | | | trans | -57.8 | 100.8 | 156 | -60.2 | 0 | 0 | 0 | 0 | 109.2 | L124 | L124-T126 PolarHBondContact O-N 2.9Š|
| 127 | A | 37.8 | Very low | 47.6 | Very low | 82 Ų | 82 | 131.6 Ų | 131.6 | 68% | 0.678 | 73% | 0.73 | S | S | * | * | | | trans | 57 | 150.9 | 162.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | P125 | P125-A127 PolarHBondContact O-N 3.05Š|
| 128 | P | 41.5 | Very low | 45.9 | Very low | 127 Ų | 127 | 134.2 Ų | 134.2 | 83% | 0.825 | 74% | 0.739 | S | S | * | * | | | trans | -111.6 | 125.9 | 139.6 | 32.7 | -23.2 | 0 | 0 | 0 | 109.9 | | |
| 129 | A | 35.4 | Very low | 43.8 | Very low | 87 Ų | 87 | 141.2 Ų | 141.2 | 72% | 0.719 | 76% | 0.76 | S | S | * | * | | | trans | -61.8 | 136.7 | 160.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 130 | S | 37.6 | Very low | 42.3 | Very low | 106 Ų | 106 | 141.6 Ų | 141.6 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | | | trans | 45.1 | 100.8 | 144.5 | 56.2 | 0 | 0 | 0 | 0 | 119.2 | | |
| 131 | L | 37.3 | Very low | 40.8 | Very low | 183 Ų | 183 | 139.9 Ų | 139.9 | 96% | 0.958 | 78% | 0.781 | S | S | * | * | | | trans | -115.6 | 105.2 | 139.7 | -76.6 | 175.4 | 0 | 0 | 0 | 108.8 | | |
| 132 | S | 42.1 | Very low | 39.4 | Very low | 122 Ų | 122 | 141.9 Ų | 141.9 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | | | trans | -68.7 | 140.2 | 169.2 | 165.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 133 | G | 38.8 | Very low | 38.3 | Very low | 61 Ų | 61 | 143.7 Ų | 143.7 | 63% | 0.629 | 80% | 0.801 | S | S | * | * | | | trans | 95.5 | 91.4 | 146.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 134 | Q | 29.4 | Very low | 37 | Very low | 197 Ų | 197 | 141.3 Ų | 141.3 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | | | | -177.1 | 101.6 | 119.8 | -105.6 | 165.1 | -15.2 | 0 | 0 | 111.5 | R136 | Q134-R136 PolarHBondContact O-N 3.25Š|
| 135 | H | 42.1 | Very low | 36.4 | Very low | 194 Ų | 194 | 142.7 Ų | 142.7 | 90% | 0.898 | 81% | 0.814 | S | S | * | * | | | trans | -67.4 | 118.2 | 157 | -71.7 | -91.4 | 0 | 0 | 0 | 108.9 | | |
| 136 | R | 30.4 | Very low | 35.6 | Very low | 216 Ų | 216 | 148 Ų | 148 | 82% | 0.815 | 82% | 0.819 | S | S | * | * | | | trans | -147.6 | 93.9 | 151.6 | -144.8 | 177.2 | -172.6 | -179.4 | 2.1 | 110.2 | Q134 L138 | Q134-R136 PolarHBondContact O-N 3.25Å; R136-L138 PolarHBondContact O-N 2.99Å |
| 137 | C | 31.5 | Very low | 34.9 | Very low | 128 Ų | 128 | 150 Ų | 150 | 87% | 0.865 | 82% | 0.818 | S | S | * | * | | | trans | -56.8 | 113.1 | 162.2 | -72.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 138 | L | 39.1 | Very low | 35.1 | Very low | 150 Ų | 150 | 151.7 Ų | 151.7 | 79% | 0.785 | 82% | 0.82 | S | S | * | * | | | trans | -109.5 | 98.6 | 162.4 | -69.7 | 176.1 | 0 | 0 | 0 | 108.2 | R136 | R136-L138 PolarHBondContact O-N 2.99Š|
| 139 | R | 30.2 | Very low | 35 | Very low | 233 Ų | 233 | 151.9 Ų | 151.9 | 88% | 0.879 | 82% | 0.821 | S | S | * | * | | | trans | -8.3 | 131.3 | 157 | -161.6 | 178.2 | -177.3 | 174 | 0.6 | 116.1 | | |
| 140 | P | 39.8 | Very low | 35.2 | Very low | 109 Ų | 109 | 154.5 Ų | 154.5 | 71% | 0.708 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 152.2 | 169.5 | 28.2 | -31.3 | 0 | 0 | 0 | 111.7 | | |
| 141 | P | 37.5 | Very low | 35.1 | Very low | 130 Ų | 130 | 159.6 Ų | 159.6 | 84% | 0.844 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 148.1 | -173.2 | 28.5 | -32.9 | 0 | 0 | 0 | 112.7 | | |
| 142 | S | 34.1 | Very low | 34.8 | Very low | 111 Ų | 111 | 154.2 Ų | 154.2 | 78% | 0.776 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 153.3 | -174.1 | 49.9 | 0 | 0 | 0 | 0 | 114.8 | | |
| 143 | K | 31.2 | Very low | 34.5 | Very low | 191 Ų | 191 | 153.9 Ų | 153.9 | 83% | 0.83 | 83% | 0.825 | S | S | * | * | | | trans | -40.6 | 136.6 | 169.2 | -55.8 | 174.3 | 178.3 | -177.7 | 0 | 113.1 | | |
| 144 | C | 28.4 | Very low | 34.1 | Very low | 137 Ų | 137 | 154.8 Ų | 154.8 | 93% | 0.926 | 83% | 0.834 | S | S | * | * | | | trans | -93.8 | 112.8 | 152.3 | -71 | 0 | 0 | 0 | 0 | 107.6 | | |
| 145 | E | 32 | Very low | 34.4 | Very low | 170 Ų | 170 | 154.5 Ų | 154.5 | 79% | 0.794 | 83% | 0.832 | S | S | * | * | | | trans | -77.1 | 156.1 | 167.1 | -71.9 | 179 | 151.6 | 0 | 0 | 110.6 | | |
| 146 | R | 28.1 | Very low | 34.5 | Very low | 231 Ų | 231 | 151.1 Ų | 151.1 | 87% | 0.872 | 83% | 0.828 | S | S | * | * | | | trans | 84.4 | 104.6 | 145 | -163.4 | 178.1 | -108.1 | 174.9 | -5.6 | 116.8 | | |
| 147 | E | 29.7 | Very low | 34.6 | Very low | 185 Ų | 185 | 150.4 Ų | 150.4 | 86% | 0.864 | 83% | 0.834 | S | S | * | * | | | | -159.5 | 130.2 | 106 | -104.5 | 170.9 | -171.5 | 0 | 0 | 110.9 | | |
| 148 | V | 41.5 | Very low | 34.7 | Very low | 118 Ų | 118 | 149.8 Ų | 149.8 | 72% | 0.715 | 83% | 0.831 | S | S | * | * | | | trans | -110 | 135.5 | 174.2 | 169.2 | 0 | 0 | 0 | 0 | 106.2 | L150 | V148-L150 HydrophobicContact CG1-CB 4.22Š|
| 149 | P | 39 | Very low | 34.6 | Very low | 131 Ų | 131 | 151.7 Ų | 151.7 | 85% | 0.851 | 84% | 0.838 | S | S | * | * | | | trans | -102.8 | 114.9 | 145.5 | -10.9 | 29.2 | 0 | 0 | 0 | 109.8 | | |
| 150 | L | 40.6 | Very low | 35 | Very low | 142 Ų | 142 | 149.4 Ų | 149.4 | 74% | 0.743 | 84% | 0.837 | S | S | * | * | | | trans | -85.3 | 132.8 | 170.3 | -165.1 | 93.4 | 0 | 0 | 0 | 107.6 | V148 | V148-L150 HydrophobicContact CG1-CB 4.22Š|
| 151 | F | 34.6 | Very low | 35 | Very low | 213 Ų | 213 | 149.1 Ų | 149.1 | 93% | 0.934 | 84% | 0.844 | S | S | * | * | | | trans | 160.7 | 127 | 152.8 | -84 | -63.9 | 0 | 0 | 0 | 105.9 | | |
| 152 | G | 31.4 | Very low | 34.8 | Very low | 69 Ų | 69 | 150.2 Ų | 150.2 | 71% | 0.711 | 84% | 0.843 | S | S | * | * | | | cis | 167.2 | 132.3 | 0.8 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 153 | A | 35.3 | Very low | 35.3 | Very low | 116 Ų | 116 | 151.8 Ų | 151.8 | 96% | 0.959 | 85% | 0.848 | S | S | * | * | | | trans | 50.1 | 124 | 151.7 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 154 | G | 30 | Very low | 35.6 | Very low | 79 Ų | 79 | 149.7 Ų | 149.7 | 81% | 0.814 | 85% | 0.846 | S | S | * | * | | | trans | 168.4 | 113.9 | 157.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 155 | E | 35.2 | Very low | 36.1 | Very low | 191 Ų | 191 | 150.7 Ų | 150.7 | 89% | 0.893 | 84% | 0.841 | S | S | * | * | | | trans | -66.7 | 168.5 | -164.1 | -72 | 170.6 | 138.3 | 0 | 0 | 117.4 | | |
| 156 | P | 44.5 | Very low | 36.3 | Very low | 124 Ų | 124 | 150.9 Ų | 150.9 | 81% | 0.805 | 84% | 0.842 | S | S | * | * | | | trans | -92.7 | 128.4 | 169 | 34.9 | -25.8 | 0 | 0 | 0 | 111.4 | | |
| 157 | E | 33.3 | Very low | 36.8 | Very low | 201 Ų | 201 | 144.9 Ų | 144.9 | 94% | 0.939 | 84% | 0.842 | S | S | * | * | | | trans | -109.7 | 116.3 | 168.3 | -87.1 | -175.9 | 147.7 | 0 | 0 | 111.2 | | |
| 158 | S | 34.4 | Very low | 36.8 | Very low | 115 Ų | 115 | 139.2 Ų | 139.2 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | | | trans | -76.8 | 136 | 158.4 | 47.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 159 | M | 36.1 | Very low | 36.9 | Very low | 190 Ų | 190 | 141.2 Ų | 141.2 | 94% | 0.936 | 84% | 0.839 | S | S | * | * | | | trans | -140.4 | 117.7 | 154.5 | -167.5 | 131.8 | 98.7 | 0 | 0 | 110.9 | | |
| 160 | E | 39.3 | Very low | 36.8 | Very low | 185 Ų | 185 | 143.5 Ų | 143.5 | 86% | 0.864 | 84% | 0.838 | S | S | * | * | | | trans | -63.7 | 148.2 | 163.6 | -60.1 | -178 | 152.8 | 0 | 0 | 110.8 | | |
| 161 | A | 39 | Very low | 37.1 | Very low | 103 Ų | 103 | 146.4 Ų | 146.4 | 85% | 0.851 | 85% | 0.848 | S | S | * | * | | | trans | -159.7 | 98.1 | 151.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 162 | D | 33.3 | Very low | 37.4 | Very low | 153 Ų | 153 | 144.7 Ų | 144.7 | 82% | 0.818 | 84% | 0.843 | S | S | * | * | | | trans | -64.6 | 137 | 154.4 | -95.6 | -32.1 | 0 | 0 | 0 | 110 | | |
| 163 | T | 44.6 | Very low | 38 | Very low | 143 Ų | 143 | 145.4 Ų | 145.4 | 88% | 0.877 | 84% | 0.842 | S | S | * | * | | | trans | -151.1 | 110.7 | 142 | 49.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 164 | D | 38.2 | Very low | 38.7 | Very low | 148 Ų | 148 | 147.3 Ų | 147.3 | 79% | 0.791 | 84% | 0.841 | S | S | * | * | | | trans | -73.5 | 142.5 | 161.7 | -82 | -37.7 | 0 | 0 | 0 | 111.7 | | |
| 165 | L | 39 | Very low | 39.2 | Very low | 158 Ų | 158 | 146 Ų | 146 | 83% | 0.827 | 83% | 0.828 | S | S | * | * | | | | 170.9 | 112.8 | 116.6 | -96.6 | 161.4 | 0 | 0 | 0 | 112.4 | | |
| 166 | E | 35.3 | Very low | 39.2 | Very low | 173 Ų | 173 | 140.1 Ų | 140.1 | 81% | 0.808 | 82% | 0.819 | S | S | * | * | | | trans | 39.2 | 113.5 | 131.3 | -84.6 | -75.7 | 155.6 | 0 | 0 | 120.1 | | |
| 167 | A | 39.1 | Very low | 39.4 | Very low | 106 Ų | 106 | 142.3 Ų | 142.3 | 88% | 0.876 | 82% | 0.823 | S | S | * | * | | | trans | -169 | 113.1 | 130 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 168 | G | 30.1 | Very low | 39.8 | Very low | 66 Ų | 66 | 135 Ų | 135 | 68% | 0.68 | 80% | 0.801 | S | S | * | * | | | trans | 125.9 | 81.9 | 147.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 169 | L | 42.1 | Very low | 40.5 | Very low | 159 Ų | 159 | 136.2 Ų | 136.2 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | | | | 30.6 | 99.4 | 125.9 | -97.5 | 160.6 | 0 | 0 | 0 | 117 | | |
| 170 | E | 36.7 | Very low | 41.2 | Very low | 180 Ų | 180 | 129.9 Ų | 129.9 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | | | | -167.8 | 112.6 | 112.7 | 31.1 | -138.5 | 142.7 | 0 | 0 | 111.7 | E172 | E170-E172 PolarHBondContact O-N 2.94Å; E170-E172 VanDerWaalsContact O-N 3.13Å |
| 171 | E | 47.4 | Very low | 41.6 | Very low | 202 Ų | 202 | 125.3 Ų | 125.3 | 94% | 0.944 | 78% | 0.783 | S | S | * | * | | | trans | -64.1 | 104.2 | 160.2 | -80 | -143.1 | 153.1 | 0 | 0 | 108.6 | | |
| 172 | E | 40.2 | Very low | 41.9 | Very low | 178 Ų | 178 | 131.6 Ų | 131.6 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | | | trans | -107.6 | 95.7 | 162.1 | -157.3 | 164.1 | 178.8 | 0 | 0 | 108.8 | E170 V174 | E170-E172 PolarHBondContact O-N 2.94Å; E170-E172 VanDerWaalsContact O-N 3.13Å; E172-V174 PolarHBondContact O-N 3.46Å |
| 173 | A | 44.5 | Very low | 42.7 | Very low | 84 Ų | 84 | 128.4 Ų | 128.4 | 69% | 0.694 | 78% | 0.781 | S | S | * | * | | | trans | 4.9 | 108.8 | 165.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | G175 | A173-G175 PolarHBondContact O-N 3.45Š|
| 174 | V | 50.2 | Low | 43.3 | Very low | 155 Ų | 155 | 126.8 Ų | 126.8 | 94% | 0.939 | 77% | 0.774 | S | S | * | * | | | trans | -63.3 | 70.9 | 142.3 | 177.9 | 0 | 0 | 0 | 0 | 107 | E172 G176 | E172-V174 PolarHBondContact O-N 3.46Å; V174-G176 PolarHBondContact O-N 3.38Å; V174-G176 VanDerWaalsContact O-N 3.15Å |
| 175 | G | 39.9 | Very low | 44.2 | Very low | 52 Ų | 52 | 127 Ų | 127 | 54% | 0.536 | 77% | 0.774 | S | S | . | * | | | trans | -71.4 | 102.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 105.9 | A173 L177 | A173-G175 PolarHBondContact O-N 3.45Å; G175-L177 PolarHBondContact O-N 3.01Å |
| 176 | G | 37.1 | Very low | 45.3 | Very low | 68 Ų | 68 | 123 Ų | 123 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | | | trans | -43 | 117 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | V174 G178 | V174-G176 PolarHBondContact O-N 3.38Å; V174-G176 VanDerWaalsContact O-N 3.15Å; G176-G178 PolarHBondContact O-N 3.25Å |
| 177 | L | 47.8 | Very low | 47.3 | Very low | 170 Ų | 170 | 116.7 Ų | 116.7 | 89% | 0.89 | 74% | 0.739 | S | S | * | * | | | trans | -66.2 | 84.8 | 164.1 | -91.3 | 80.5 | 0 | 0 | 0 | 106.7 | G175 | G175-L177 PolarHBondContact O-N 3.01Š|
| 178 | G | 42.3 | Very low | 48.9 | Very low | 46 Ų | 46 | 120 Ų | 120 | 47% | 0.474 | 74% | 0.736 | S | S | . | * | | | trans | -56.4 | 153.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | G176 G180 | G176-G178 PolarHBondContact O-N 3.25Å; G178-G180 PolarHBondContact O-N 3Å |
| 179 | P | 49.3 | Very low | 51.4 | Low | 142 Ų | 142 | 119.1 Ų | 119.1 | 92% | 0.922 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | 22.8 | 174.6 | -23.5 | 33.8 | 0 | 0 | 0 | 116.2 | | |
| 180 | G | 49.9 | Very low | 53.5 | Low | 57 Ų | 57 | 116.3 Ų | 116.3 | 59% | 0.588 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | -2.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | G178 W182 | G178-G180 PolarHBondContact O-N 3Å; G180-W182 PolarHBondContact O-N 3.32Å; G180-W182 VanDerWaalsContact O-N 3.16Å |
| 181 | A | 48.6 | Very low | 55.9 | Low | 88 Ų | 88 | 115.4 Ų | 115.4 | 73% | 0.727 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | 8.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 182 | W | 44.4 | Very low | 58 | Low | 235 Ų | 235 | 113 Ų | 113 | 89% | 0.89 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | 21.9 | 172.5 | -60.8 | 103.3 | 0 | 0 | 0 | 113.2 | G180 C184 | G180-W182 PolarHBondContact O-N 3.32Å; G180-W182 VanDerWaalsContact O-N 3.16Å; W182-C184 PolarHBondContact O-N 2.99Å |
| 183 | A | 50.9 | Low | 60.6 | Low | 87 Ų | 87 | 108.9 Ų | 108.9 | 72% | 0.719 | 67% | 0.668 | S | S | * | * | | | trans | -77.4 | 45.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112 | L185 | A183-L185 VanDerWaalsContact C-N 3.31Å; A183-L185 PolarHBondContact O-N 3.17Å; A183-L185 VanDerWaalsContact O-N 3.1Å |
| 184 | C | 55.7 | Low | 63 | Low | 109 Ų | 109 | 110.8 Ų | 110.8 | 74% | 0.736 | 66% | 0.662 | S | S | * | * | | | trans | -72.1 | 99.4 | 154 | -68.3 | 0 | 0 | 0 | 0 | 105.5 | W182 | W182-C184 PolarHBondContact O-N 2.99Š|
| 185 | L | 58.5 | Low | 65.1 | Low | 153 Ų | 153 | 109 Ų | 109 | 80% | 0.801 | 64% | 0.643 | S | S | * | * | | | trans | -36.9 | 135.3 | 173.5 | -69.7 | 165.8 | 0 | 0 | 0 | 109.8 | A183 G187 | A183-L185 VanDerWaalsContact C-N 3.31Å; A183-L185 PolarHBondContact O-N 3.17Å; A183-L185 VanDerWaalsContact O-N 3.1Å; L185-G187 PolarHBondContact O-N 3.49Å |
| 186 | P | 62.3 | Low | 67.9 | Low | 72 Ų | 72 | 109.6 Ų | 109.6 | 47% | 0.468 | 63% | 0.634 | S | S | . | * | | | trans | -59.3 | 104.6 | -179.4 | 22.5 | -30.4 | 0 | 0 | 0 | 108 | L190 | P186-L190 HydrophobicContact CB-CB 4.01Å; P186-L190 HydrophobicContact CB-CD1 4.17Å |
| 187 | G | 75.6 | Confident | 70.7 | Confident | 41 Ų | 41 | 110.2 Ų | 110.2 | 42% | 0.423 | 63% | 0.627 | S | S | . | * | | | trans | -55.3 | 154.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | L185 G189 L190 R191 | L185-G187 PolarHBondContact O-N 3.49Å; G187-G189 PolarHBondContact O-N 3.24Å; G187-L190 PolarHBondContact O-N 2.75Å; G187-R191 PolarHBondContact O-N 2.95Å |
| 188 | Q | 74.3 | Confident | 73.1 | Confident | 176 Ų | 176 | 106.3 Ų | 106.3 | 82% | 0.822 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -49.3 | -29.8 | 177.4 | -69.7 | 171.5 | -26.7 | 0 | 0 | 112.4 | R191 Y192 | Q188-R191 PolarHBondContact O-N 2.81Å; Q188-Y192 PolarHBondContact O-N 3.38Å |
| 189 | G | 82.1 | Confident | 75.7 | Confident | 47 Ų | 47 | 106.9 Ų | 106.9 | 49% | 0.485 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62.4 | -37.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | G187 Y192 L193 | G187-G189 PolarHBondContact O-N 3.24Å; G189-Y192 PolarHBondContact O-N 3.19Å; G189-L193 WeakPolarHBondContact O-CG 3.3Å; G189-L193 PolarHBondContact O-N 2.64Å |
| 190 | L | 85.6 | Confident | 78.1 | Confident | 100 Ų | 100 | 104.4 Ų | 104.4 | 52% | 0.524 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -71.3 | -37.2 | 175.6 | -70.2 | 178.4 | 0 | 0 | 0 | 111.6 | P186 G187 Y192 L193 E194 | P186-L190 HydrophobicContact CB-CB 4.01Å; P186-L190 HydrophobicContact CB-CD1 4.17Å; G187-L190 PolarHBondContact O-N 2.75Å; L190-Y192 VanDerWaalsContact C-N 3.33Å; L190-L193 HydrophobicContact CD2-CD1 4.36Å; L190-L193 PolarHBondContact O-N 3.01Å; L190-E194 WeakPolarHBondContact O-CB 3.43Å; L190-E194 PolarHBondContact O-N 3.35Å |
| 191 | R | 86.9 | Confident | 80.3 | Confident | 162 Ų | 162 | 105.7 Ų | 105.7 | 61% | 0.611 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66.6 | -35.8 | 173.5 | -55.5 | -161 | -146.6 | -171.7 | 7 | 112.4 | G187 Q188 E194 H195 | G187-R191 PolarHBondContact O-N 2.95Å; Q188-R191 PolarHBondContact O-N 2.81Å; R191-E194 PolarHBondContact O-N 3.31Å; R191-H195 WeakPolarHBondContact O-CB 3.33Å; R191-H195 PolarHBondContact O-N 3.04Å |
| 192 | Y | 91.8 | Very high | 82.7 | Confident | 151 Ų | 151 | 107 Ų | 107 | 59% | 0.592 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.9 | -43 | 172.9 | 173.9 | -98.4 | 0 | 0 | 0 | 111.5 | Q188 G189 L190 H195 L196 | Q188-Y192 PolarHBondContact O-N 3.38Å; G189-Y192 PolarHBondContact O-N 3.19Å; L190-Y192 VanDerWaalsContact C-N 3.33Å; Y192-H195 PolarHBondContact O-N 3.19Å; Y192-L196 HydrophobicContact CE1-CD2 4.41Å; Y192-L196 WeakPolarHBondContact O-CB 3.4Å; Y192-L196 PolarHBondContact O-N 2.92Å |
| 193 | L | 94.7 | Very high | 85.2 | Confident | 92 Ų | 92 | 100.2 Ų | 100.2 | 48% | 0.482 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.9 | -41.4 | 175.9 | -71.2 | 172.9 | 0 | 0 | 0 | 111.9 | G189 L190 L196 C197 | G189-L193 WeakPolarHBondContact O-CG 3.3Å; G189-L193 PolarHBondContact O-N 2.64Å; L190-L193 HydrophobicContact CD2-CD1 4.36Å; L190-L193 PolarHBondContact O-N 3.01Å; L193-L196 PolarHBondContact O-N 2.88Å; L193-C197 WeakPolarHBondContact O-CB 3.45Å; L193-C197 PolarHBondContact O-N 3.21Å; L193-C197 PolarHBondContact O-SG 2.95Å |
| 194 | E | 94.4 | Very high | 87.5 | Confident | 124 Ų | 124 | 98.5 Ų | 98.5 | 58% | 0.579 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59.5 | -47.4 | 173.6 | -177.8 | 177.9 | -167 | 0 | 0 | 111.4 | L190 R191 L196 C197 L198 | L190-E194 WeakPolarHBondContact O-CB 3.43Å; L190-E194 PolarHBondContact O-N 3.35Å; R191-E194 PolarHBondContact O-N 3.31Å; E194-L196 VanDerWaalsContact C-N 3.34Å; E194-L196 PolarHBondContact O-N 3.25Å; E194-C197 WeakPolarHBondContact O-CB 3.37Å; E194-C197 PolarHBondContact O-N 2.93Å; E194-L198 WeakPolarHBondContact O-CG 3.38Å; E194-L198 PolarHBondContact O-N 3.12Å |
| 195 | H | 95.8 | Very high | 89.5 | Confident | 116 Ų | 116 | 100.2 Ų | 100.2 | 54% | 0.537 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.8 | -42.8 | 175.2 | -177.3 | 65.8 | 0 | 0 | 0 | 112.1 | R191 Y192 C197 L198 V199 | R191-H195 WeakPolarHBondContact O-CB 3.33Å; R191-H195 PolarHBondContact O-N 3.04Å; Y192-H195 PolarHBondContact O-N 3.19Å; H195-C197 VanDerWaalsContact C-N 3.34Å; H195-C197 PolarHBondContact O-N 2.72Å; H195-L198 PolarHBondContact O-N 2.89Å; H195-V199 WeakPolarHBondContact O-CG2 3.28Å; H195-V199 PolarHBondContact O-N 3.33Å |
| 196 | L | 97.1 | Very high | 91.4 | Very high | 65 Ų | 65 | 98.4 Ų | 98.4 | 34% | 0.34 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.3 | -41.9 | 177.2 | -176.8 | 63.6 | 0 | 0 | 0 | 111.4 | Y192 L193 E194 V199 L200 | Y192-L196 HydrophobicContact CE1-CD2 4.41Å; Y192-L196 WeakPolarHBondContact O-CB 3.4Å; Y192-L196 PolarHBondContact O-N 2.92Å; L193-L196 PolarHBondContact O-N 2.88Å; E194-L196 VanDerWaalsContact C-N 3.34Å; E194-L196 PolarHBondContact O-N 3.25Å; L196-V199 PolarHBondContact O-N 3.43Å; L196-L200 HydrophobicContact CD1-CD1 4.47Å; L196-L200 HydrophobicContact CG-CD1 4.07Å; L196-L200 WeakPolarHBondContact O-CB 3.36Å; L196-L200 VanDerWaalsContact O-CG 3.24Å; L196-L200 WeakPolarHBondContact O-CG 3.47Å; L196-L200 PolarHBondContact O-N 3.4Å |
| 197 | C | 96.8 | Very high | 93 | Very high | 82 Ų | 82 | 101.5 Ų | 101.5 | 55% | 0.554 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.4 | -45.4 | 174.6 | -72.7 | 0 | 0 | 0 | 0 | 111.5 | L193 E194 H195 V199 L200 E201 | L193-C197 WeakPolarHBondContact O-CB 3.45Å; L193-C197 PolarHBondContact O-N 3.21Å; L193-C197 PolarHBondContact O-SG 2.95Å; E194-C197 WeakPolarHBondContact O-CB 3.37Å; E194-C197 PolarHBondContact O-N 2.93Å; H195-C197 VanDerWaalsContact C-N 3.34Å; H195-C197 PolarHBondContact O-N 2.72Å; C197-V199 PolarHBondContact O-N 3.11Å; C197-L200 PolarHBondContact O-N 3.23Å; C197-E201 WeakPolarHBondContact O-CB 3.44Å; C197-E201 PolarHBondContact O-N 2.9Å |
| 198 | L | 97.5 | Very high | 94 | Very high | 87 Ų | 87 | 106 Ų | 106 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61 | -44.9 | 176.3 | -69.6 | 171.7 | 0 | 0 | 0 | 111.7 | E194 H195 L200 E201 Q202 | E194-L198 WeakPolarHBondContact O-CG 3.38Å; E194-L198 PolarHBondContact O-N 3.12Å; H195-L198 PolarHBondContact O-N 2.89Å; L198-L200 PolarHBondContact O-N 3.35Å; L198-E201 PolarHBondContact O-N 3.38Å; L198-Q202 WeakPolarHBondContact O-CG 3.5Å; L198-Q202 PolarHBondContact O-N 2.89Å |
| 199 | V | 98.1 | Very high | 95.1 | Very high | 58 Ų | 58 | 102 Ų | 102 | 35% | 0.352 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 177.8 | 172.1 | 0 | 0 | 0 | 0 | 111 | H195 L196 C197 E201 Q202 M203 | H195-V199 WeakPolarHBondContact O-CG2 3.28Å; H195-V199 PolarHBondContact O-N 3.33Å; L196-V199 PolarHBondContact O-N 3.43Å; C197-V199 PolarHBondContact O-N 3.11Å; V199-E201 VanDerWaalsContact C-N 3.3Å; V199-E201 PolarHBondContact O-N 2.89Å; V199-Q202 PolarHBondContact O-N 3.21Å; V199-M203 WeakPolarHBondContact O-CG 3.5Å; V199-M203 PolarHBondContact O-N 3.47Å |
| 200 | L | 98.3 | Very high | 95.6 | Very high | 90 Ų | 90 | 107.7 Ų | 107.7 | 47% | 0.471 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.9 | -39 | 177 | -72.2 | 168.6 | 0 | 0 | 0 | 111.8 | L196 C197 L198 M203 A204 | L196-L200 HydrophobicContact CD1-CD1 4.47Å; L196-L200 HydrophobicContact CG-CD1 4.07Å; L196-L200 WeakPolarHBondContact O-CB 3.36Å; L196-L200 VanDerWaalsContact O-CG 3.24Å; L196-L200 WeakPolarHBondContact O-CG 3.47Å; L196-L200 PolarHBondContact O-N 3.4Å; C197-L200 PolarHBondContact O-N 3.23Å; L198-L200 PolarHBondContact O-N 3.35Å; L200-M203 HydrophobicContact CD2-CE 3.66Å; L200-M203 PolarHBondContact O-N 2.95Å; L200-A204 WeakPolarHBondContact O-CB 3.44Å; L200-A204 PolarHBondContact O-N 3.17Å |
| 201 | E | 98.1 | Very high | 96.1 | Very high | 85 Ų | 85 | 107.2 Ų | 107.2 | 40% | 0.397 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.8 | -44.1 | 175.7 | -168.6 | -173.5 | 159.3 | 0 | 0 | 111.8 | C197 L198 V199 M203 A204 R205 | C197-E201 WeakPolarHBondContact O-CB 3.44Å; C197-E201 PolarHBondContact O-N 2.9Å; L198-E201 PolarHBondContact O-N 3.38Å; V199-E201 VanDerWaalsContact C-N 3.3Å; V199-E201 PolarHBondContact O-N 2.89Å; E201-M203 VanDerWaalsContact C-N 3.33Å; E201-M203 PolarHBondContact O-N 2.88Å; E201-A204 PolarHBondContact O-N 3.07Å; E201-R205 WeakPolarHBondContact O-CG 3.32Å; E201-R205 PolarHBondContact O-N 3.41Å; E201-R205 IonicContact OE1-CZ 3.33Å; E201-R205 IonicContact OE1-NE 3.08Å; E201-R205 PolarHBondContact OE1-NE 3.42Å; E201-R205 VanDerWaalsContact OE1-NE 3.08Å; E201-R205 IonicContact OE1-NH2 2.71Å; E201-R205 PolarHBondContact OE1-NH2 3.41Å |
| 202 | Q | 97.9 | Very high | 96.4 | Very high | 116 Ų | 116 | 104.3 Ų | 104.3 | 54% | 0.542 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.5 | -39.7 | 176.3 | -65.3 | -54.4 | -30.4 | 0 | 0 | 111.8 | L198 V199 R205 L206 | L198-Q202 WeakPolarHBondContact O-CG 3.5Å; L198-Q202 PolarHBondContact O-N 2.89Å; V199-Q202 PolarHBondContact O-N 3.21Å; Q202-R205 PolarHBondContact O-N 3.03Å; Q202-L206 WeakPolarHBondContact O-CB 3.27Å; Q202-L206 PolarHBondContact O-N 3.36Å |
| 203 | M | 97.6 | Very high | 96.4 | Very high | 92 Ų | 92 | 101.9 Ų | 101.9 | 45% | 0.453 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 174.4 | -71.6 | -160.5 | -56.3 | 0 | 0 | 112.1 | V199 L200 E201 L206 Q207 | V199-M203 WeakPolarHBondContact O-CG 3.5Å; V199-M203 PolarHBondContact O-N 3.47Å; L200-M203 HydrophobicContact CD2-CE 3.66Å; L200-M203 PolarHBondContact O-N 2.95Å; E201-M203 VanDerWaalsContact C-N 3.33Å; E201-M203 PolarHBondContact O-N 2.88Å; M203-L206 PolarHBondContact O-N 3.39Å; M203-Q207 WeakPolarHBondContact O-CB 3.42Å; M203-Q207 VanDerWaalsContact O-CG 3.26Å; M203-Q207 WeakPolarHBondContact O-CG 3.47Å; M203-Q207 PolarHBondContact O-N 3.28Å |
| 204 | A | 97.8 | Very high | 96 | Very high | 50 Ų | 50 | 106 Ų | 106 | 41% | 0.413 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.1 | -43.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | L200 E201 L206 Q207 Q208 | L200-A204 WeakPolarHBondContact O-CB 3.44Å; L200-A204 PolarHBondContact O-N 3.17Å; E201-A204 PolarHBondContact O-N 3.07Å; A204-L206 VanDerWaalsContact C-N 3.33Å; A204-L206 PolarHBondContact O-N 2.85Å; A204-Q207 PolarHBondContact O-N 3.33Å; A204-Q208 WeakPolarHBondContact O-CB 3.41Å; A204-Q208 PolarHBondContact O-N 3.43Å |
| 205 | R | 97.9 | Very high | 95.5 | Very high | 145 Ų | 145 | 106.2 Ų | 106.2 | 55% | 0.547 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.9 | -42.8 | 174.7 | -71.4 | 173.1 | -178.3 | -101.4 | 3.5 | 111.5 | E201 Q202 Q208 L209 | E201-R205 WeakPolarHBondContact O-CG 3.32Å; E201-R205 PolarHBondContact O-N 3.41Å; E201-R205 IonicContact OE1-CZ 3.33Å; E201-R205 IonicContact OE1-NE 3.08Å; E201-R205 PolarHBondContact OE1-NE 3.42Å; E201-R205 VanDerWaalsContact OE1-NE 3.08Å; E201-R205 IonicContact OE1-NH2 2.71Å; E201-R205 PolarHBondContact OE1-NH2 3.41Å; Q202-R205 PolarHBondContact O-N 3.03Å; R205-Q208 PolarHBondContact O-N 2.9Å; R205-L209 WeakPolarHBondContact O-CB 3.44Å; R205-L209 PolarHBondContact O-N 3.44Å |
| 206 | L | 98 | Very high | 94.6 | Very high | 116 Ų | 116 | 107 Ų | 107 | 61% | 0.607 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.6 | -44.7 | 177 | -176.2 | 64.7 | 0 | 0 | 0 | 111.8 | Q202 M203 A204 Q208 L209 Y210 | Q202-L206 WeakPolarHBondContact O-CB 3.27Å; Q202-L206 PolarHBondContact O-N 3.36Å; M203-L206 PolarHBondContact O-N 3.39Å; A204-L206 VanDerWaalsContact C-N 3.33Å; A204-L206 PolarHBondContact O-N 2.85Å; L206-Q208 VanDerWaalsContact C-N 3.29Å; L206-Q208 PolarHBondContact O-N 3.34Å; L206-L209 PolarHBondContact O-N 3.24Å; L206-Y210 WeakPolarHBondContact O-CB 3.27Å; L206-Y210 PolarHBondContact O-N 2.94Å |
| 207 | Q | 97 | Very high | 93.6 | Very high | 136 Ų | 136 | 113.1 Ų | 113.1 | 64% | 0.636 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60.9 | -40 | 175.6 | -75 | 173.3 | -12.7 | 0 | 0 | 111.6 | M203 A204 Y210 L211 | M203-Q207 WeakPolarHBondContact O-CB 3.42Å; M203-Q207 VanDerWaalsContact O-CG 3.26Å; M203-Q207 WeakPolarHBondContact O-CG 3.47Å; M203-Q207 PolarHBondContact O-N 3.28Å; A204-Q207 PolarHBondContact O-N 3.33Å; Q207-Y210 PolarHBondContact O-N 2.87Å; Q207-L211 WeakPolarHBondContact O-CB 3.31Å; Q207-L211 PolarHBondContact O-N 3.46Å |
| 208 | Q | 96.8 | Very high | 91.9 | Very high | 137 Ų | 137 | 114 Ų | 114 | 64% | 0.64 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.4 | -43.1 | 176.5 | -174.7 | 168.1 | -16 | 0 | 0 | 111.8 | A204 R205 L206 L211 Q212 | A204-Q208 WeakPolarHBondContact O-CB 3.41Å; A204-Q208 PolarHBondContact O-N 3.43Å; R205-Q208 PolarHBondContact O-N 2.9Å; L206-Q208 VanDerWaalsContact C-N 3.29Å; L206-Q208 PolarHBondContact O-N 3.34Å; Q208-L211 PolarHBondContact O-N 2.84Å; Q208-Q212 WeakPolarHBondContact O-CB 3.3Å; Q208-Q212 PolarHBondContact O-N 3.09Å |
| 209 | L | 96.4 | Very high | 89.9 | Confident | 91 Ų | 91 | 116.2 Ų | 116.2 | 48% | 0.476 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.4 | -42.7 | 175.2 | -175 | 69 | 0 | 0 | 0 | 111.4 | R205 L206 L211 Q212 L213 | R205-L209 WeakPolarHBondContact O-CB 3.44Å; R205-L209 PolarHBondContact O-N 3.44Å; L206-L209 PolarHBondContact O-N 3.24Å; L209-L211 VanDerWaalsContact C-N 3.34Å; L209-L211 PolarHBondContact O-N 2.91Å; L209-Q212 PolarHBondContact O-N 3.26Å; L209-L213 HydrophobicContact CG-CD1 4.16Å; L209-L213 WeakPolarHBondContact O-CB 3.41Å; L209-L213 WeakPolarHBondContact O-CG 3.3Å; L209-L213 PolarHBondContact O-N 3.33Å |
| 210 | Y | 94.1 | Very high | 88 | Confident | 166 Ų | 166 | 116.3 Ų | 116.3 | 65% | 0.651 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -61.3 | -43.2 | 176.6 | -179.6 | -97 | 0 | 0 | 0 | 111.6 | L206 Q207 L213 R214 | L206-Y210 WeakPolarHBondContact O-CB 3.27Å; L206-Y210 PolarHBondContact O-N 2.94Å; Q207-Y210 PolarHBondContact O-N 2.87Å; Y210-L213 PolarHBondContact O-N 2.86Å; Y210-R214 WeakPolarHBondContact O-CB 3.26Å; Y210-R214 PolarHBondContact O-N 3.29Å |
| 211 | L | 95.8 | Very high | 85.4 | Confident | 91 Ų | 91 | 118.6 Ų | 118.6 | 48% | 0.476 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.2 | -42 | 175.5 | -173.9 | 66.2 | 0 | 0 | 0 | 111.4 | Q207 Q208 L209 R214 I215 | Q207-L211 WeakPolarHBondContact O-CB 3.31Å; Q207-L211 PolarHBondContact O-N 3.46Å; Q208-L211 PolarHBondContact O-N 2.84Å; L209-L211 VanDerWaalsContact C-N 3.34Å; L209-L211 PolarHBondContact O-N 2.91Å; L211-R214 WeakPolarHBondContact O-CB 3.43Å; L211-R214 PolarHBondContact O-N 3.32Å; L211-I215 HydrophobicContact CD1-CD1 4.36Å; L211-I215 HydrophobicContact CG-CD1 3.94Å; L211-I215 VanDerWaalsContact O-CG1 3.27Å; L211-I215 WeakPolarHBondContact O-CG1 3.41Å; L211-I215 PolarHBondContact O-N 3.47Å |
| 212 | Q | 92.8 | Very high | 83.1 | Confident | 100 Ų | 100 | 121.1 Ų | 121.1 | 47% | 0.467 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -63.9 | -41.2 | 177 | -172.3 | 179.3 | -24.2 | 0 | 0 | 111.6 | Q208 L209 R214 I215 Q216 | Q208-Q212 WeakPolarHBondContact O-CB 3.3Å; Q208-Q212 PolarHBondContact O-N 3.09Å; L209-Q212 PolarHBondContact O-N 3.26Å; Q212-R214 VanDerWaalsContact C-N 3.33Å; Q212-I215 PolarHBondContact O-N 2.93Å; Q212-Q216 VanDerWaalsContact O-CB 3.31Å; Q212-Q216 WeakPolarHBondContact O-CB 3.47Å; Q212-Q216 VanDerWaalsContact O-CG 3.3Å; Q212-Q216 WeakPolarHBondContact O-CG 3.38Å; Q212-Q216 PolarHBondContact O-N 3.33Å |
| 213 | L | 91.6 | Very high | 80.6 | Confident | 100 Ų | 100 | 118.9 Ų | 118.9 | 52% | 0.524 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -64.8 | -37.8 | 173.7 | -74.8 | 167.6 | 0 | 0 | 0 | 111.7 | L209 Y210 I215 Q216 R217 | L209-L213 HydrophobicContact CG-CD1 4.16Å; L209-L213 WeakPolarHBondContact O-CB 3.41Å; L209-L213 WeakPolarHBondContact O-CG 3.3Å; L209-L213 PolarHBondContact O-N 3.33Å; Y210-L213 PolarHBondContact O-N 2.86Å; L213-I215 VanDerWaalsContact C-N 3.35Å; L213-Q216 PolarHBondContact O-N 3.47Å; L213-R217 WeakPolarHBondContact O-CB 3.41Å; L213-R217 PolarHBondContact O-N 3.49Å |
| 214 | R | 86.7 | Confident | 78.1 | Confident | 178 Ų | 178 | 122.6 Ų | 122.6 | 67% | 0.672 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -65.1 | -38 | 175.8 | -172.2 | -176.3 | -179.9 | -153.9 | 0.7 | 112.4 | Y210 L211 Q212 | Y210-R214 WeakPolarHBondContact O-CB 3.26Å; Y210-R214 PolarHBondContact O-N 3.29Å; L211-R214 WeakPolarHBondContact O-CB 3.43Å; L211-R214 PolarHBondContact O-N 3.32Å; Q212-R214 VanDerWaalsContact C-N 3.33Å |
| 215 | I | 83.3 | Confident | 75.9 | Confident | 129 Ų | 129 | 130 Ų | 130 | 66% | 0.662 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -76 | -35 | 178.1 | -64.2 | 163.4 | 0 | 0 | 0 | 111 | L211 Q212 L213 | L211-I215 HydrophobicContact CD1-CD1 4.36Å; L211-I215 HydrophobicContact CG-CD1 3.94Å; L211-I215 VanDerWaalsContact O-CG1 3.27Å; L211-I215 WeakPolarHBondContact O-CG1 3.41Å; L211-I215 PolarHBondContact O-N 3.47Å; Q212-I215 PolarHBondContact O-N 2.93Å; L213-I215 VanDerWaalsContact C-N 3.35Å |
| 216 | Q | 76.7 | Confident | 73.6 | Confident | 132 Ų | 132 | 131.8 Ų | 131.8 | 62% | 0.617 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -80.1 | -15.3 | 177.3 | -72.6 | -168.4 | 103.6 | 0 | 0 | 113.7 | Q212 L213 P218 | Q212-Q216 VanDerWaalsContact O-CB 3.31Å; Q212-Q216 WeakPolarHBondContact O-CB 3.47Å; Q212-Q216 VanDerWaalsContact O-CG 3.3Å; Q212-Q216 WeakPolarHBondContact O-CG 3.38Å; Q212-Q216 PolarHBondContact O-N 3.33Å; L213-Q216 PolarHBondContact O-N 3.47Å; Q216-P218 VanDerWaalsContact O-CD 3.3Å; Q216-P218 WeakPolarHBondContact O-CD 3.46Å |
| 217 | R | 76.2 | Confident | 71 | Confident | 195 Ų | 195 | 132.1 Ų | 132.1 | 74% | 0.736 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -70.1 | 118 | 169 | -163.3 | -179.2 | -169.7 | 127.6 | -3 | 107.2 | L213 | L213-R217 WeakPolarHBondContact O-CB 3.41Å; L213-R217 PolarHBondContact O-N 3.49Å |
| 218 | P | 61.4 | Low | 68.1 | Low | 100 Ų | 100 | 129.6 Ų | 129.6 | 65% | 0.649 | 69% | 0.693 | S | S | * | * | | | trans | -54.4 | 147.3 | 168.5 | -17.9 | 30.5 | 0 | 0 | 0 | 108.3 | Q216 G220 | Q216-P218 VanDerWaalsContact O-CD 3.3Å; Q216-P218 WeakPolarHBondContact O-CD 3.46Å; P218-G220 PolarHBondContact O-N 3.26Å |
| 219 | P | 55.9 | Low | 65.8 | Low | 133 Ų | 133 | 135.1 Ų | 135.1 | 86% | 0.864 | 71% | 0.708 | S | S | * | * | | | trans | -60.5 | 94.8 | 171.1 | 24.9 | -30 | 0 | 0 | 0 | 107.8 | | |
| 220 | G | 57.5 | Low | 62.9 | Low | 60 Ų | 60 | 136.4 Ų | 136.4 | 62% | 0.619 | 72% | 0.719 | S | S | * | * | | | trans | -66.9 | 129 | 164.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | P218 | P218-G220 PolarHBondContact O-N 3.26Š|
| 221 | D | 43.7 | Very low | 60.7 | Low | 139 Ų | 139 | 134.3 Ų | 134.3 | 74% | 0.743 | 73% | 0.726 | S | S | * | * | | | trans | -43.7 | 138 | 178.7 | -99.9 | -41.9 | 0 | 0 | 0 | 111.4 | G223 | D221-G223 PolarHBondContact O-N 2.86Š|
| 222 | P | 51.1 | Low | 57.9 | Low | 138 Ų | 138 | 138 Ų | 138 | 90% | 0.896 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 74.2 | 168 | 32.4 | -32.5 | 0 | 0 | 0 | 108.7 | | |
| 223 | G | 43.8 | Very low | 55.4 | Low | 69 Ų | 69 | 138.6 Ų | 138.6 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.9 | -0.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | D221 | D221-G223 PolarHBondContact O-N 2.86Š|
| 224 | E | 46.2 | Very low | 52.6 | Low | 169 Ų | 169 | 139.3 Ų | 139.3 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | | | trans | -154.3 | 52.7 | -173.3 | 54.2 | -170.8 | -178.2 | 0 | 0 | 113.3 | | |
| 225 | E | 51.5 | Low | 50.5 | Low | 205 Ų | 205 | 136.8 Ų | 136.8 | 96% | 0.958 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -108.3 | 33.6 | 158.5 | -78 | -165 | 139.8 | 0 | 0 | 111.3 | | |
| 226 | E | 50.1 | Low | 48.2 | Very low | 183 Ų | 183 | 138.7 Ų | 138.7 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -160.3 | 68.1 | 166.7 | -159.7 | 172.4 | 167 | 0 | 0 | 112.1 | | |
| 227 | S | 42.9 | Very low | 46.2 | Very low | 123 Ų | 123 | 141.2 Ų | 141.2 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -168.2 | 140.8 | 152 | -97 | 0 | 0 | 0 | 0 | 113.1 | | |
| 228 | A | 36.6 | Very low | 44.3 | Very low | 83 Ų | 83 | 139.3 Ų | 139.3 | 69% | 0.686 | 80% | 0.803 | S | S | * | * | | | trans | 70.9 | 82.9 | 162.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | V230 | A228-V230 HydrophobicContact CB-CG2 4.08Å; A228-V230 PolarHBondContact O-N 3.35Å; A228-V230 VanDerWaalsContact O-N 3.17Å |
| 229 | R | 48.1 | Very low | 43.4 | Very low | 254 Ų | 254 | 140.4 Ų | 140.4 | 96% | 0.958 | 81% | 0.81 | S | S | * | * | | | trans | -49.4 | 113.8 | 137.2 | -71.2 | 177.3 | 176.4 | 177.8 | -0.8 | 108.3 | | |
| 230 | V | 35.3 | Very low | 42.2 | Very low | 118 Ų | 118 | 137.9 Ų | 137.9 | 72% | 0.715 | 81% | 0.808 | S | S | * | * | | | trans | -124.4 | 128.5 | 163.7 | -178.8 | 0 | 0 | 0 | 0 | 108.5 | A228 | A228-V230 HydrophobicContact CB-CG2 4.08Å; A228-V230 PolarHBondContact O-N 3.35Å; A228-V230 VanDerWaalsContact O-N 3.17Å |
| 231 | P | 47.4 | Very low | 41 | Very low | 121 Ų | 121 | 143 Ų | 143 | 79% | 0.786 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 127.1 | 179.3 | 12.8 | 3.2 | 0 | 0 | 0 | 110.3 | | |
| 232 | L | 37.4 | Very low | 40.6 | Very low | 168 Ų | 168 | 139.9 Ų | 139.9 | 88% | 0.88 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 147.5 | 169.4 | -88.9 | 156.4 | 0 | 0 | 0 | 111.1 | | |
| 233 | P | 40.1 | Very low | 39.9 | Very low | 114 Ų | 114 | 136.7 Ų | 136.7 | 74% | 0.74 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 143.3 | -153.9 | 35.1 | -35.3 | 0 | 0 | 0 | 113.7 | | |
| 234 | S | 32.7 | Very low | 39.7 | Very low | 115 Ų | 115 | 142.6 Ų | 142.6 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 143.8 | 170.8 | -62.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 235 | P | 42.3 | Very low | 39.5 | Very low | 125 Ų | 125 | 144.4 Ų | 144.4 | 81% | 0.812 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 134 | -175.8 | -13.6 | 28.7 | 0 | 0 | 0 | 112.6 | | |
| 236 | L | 36.2 | Very low | 39.3 | Very low | 168 Ų | 168 | 139.9 Ų | 139.9 | 88% | 0.88 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 132.4 | 172.9 | -106 | 148.3 | 0 | 0 | 0 | 112.3 | | |
| 237 | H | 33 | Very low | 38.7 | Very low | 186 Ų | 186 | 141 Ų | 141 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 133.4 | 171.4 | -76.8 | -113.2 | 0 | 0 | 0 | 112.3 | | |
| 238 | I | 38.1 | Very low | 39 | Very low | 155 Ų | 155 | 143.7 Ų | 143.7 | 80% | 0.795 | 81% | 0.807 | S | S | * | * | | | trans | -113.4 | 135.1 | 162.7 | -62.8 | 176.6 | 0 | 0 | 0 | 108.1 | | |
| 239 | P | 42.4 | Very low | 39.4 | Very low | 123 Ų | 123 | 148 Ų | 148 | 80% | 0.799 | 82% | 0.817 | S | S | * | * | | | trans | -71.9 | 143.3 | -172 | -9.3 | 26.5 | 0 | 0 | 0 | 111.7 | | |
| 240 | G | 29.9 | Very low | 39 | Very low | 79 Ų | 79 | 144.5 Ų | 144.5 | 81% | 0.814 | 82% | 0.816 | S | S | * | * | | | trans | -74.6 | 158.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 241 | N | 32.2 | Very low | 39.2 | Very low | 168 Ų | 168 | 143.2 Ų | 143.2 | 90% | 0.898 | 81% | 0.813 | S | S | * | * | | | trans | -167.5 | 141.1 | 131.7 | -162.6 | -11.6 | 0 | 0 | 0 | 107.3 | | |
| 242 | G | 35.2 | Very low | 38.8 | Very low | 73 Ų | 73 | 146.6 Ų | 146.6 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | | | trans | -69.1 | 163.6 | -162.8 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 243 | G | 36.6 | Very low | 38.5 | Very low | 72 Ų | 72 | 145.1 Ų | 145.1 | 74% | 0.742 | 82% | 0.817 | S | S | * | * | | | trans | 144.2 | 99.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 244 | Q | 40.2 | Very low | 38.4 | Very low | 192 Ų | 192 | 147.9 Ų | 147.9 | 90% | 0.897 | 82% | 0.82 | S | S | * | * | | | trans | 65.3 | 128.8 | 150 | -61.5 | -158.8 | -11.6 | 0 | 0 | 120.6 | P246 | Q244-P246 WeakPolarHBondContact O-CD 3.37Š|
| 245 | R | 40.5 | Very low | 38.5 | Very low | 208 Ų | 208 | 152 Ų | 152 | 79% | 0.785 | 83% | 0.826 | S | S | * | * | | | trans | -69.4 | 126.1 | 173.3 | -76.9 | -178.7 | 168.9 | -168.7 | -0.6 | 111.1 | W247 | R245-W247 PolarHBondContact O-N 2.92Š|
| 246 | P | 48 | Very low | 38.1 | Very low | 110 Ų | 110 | 153 Ų | 153 | 71% | 0.714 | 83% | 0.83 | S | S | * | * | | | trans | -94.5 | 80.8 | 171.3 | -3 | 23.5 | 0 | 0 | 0 | 111.2 | Q244 | Q244-P246 WeakPolarHBondContact O-CD 3.37Š|
| 247 | W | 38.5 | Very low | 37.9 | Very low | 205 Ų | 205 | 148.3 Ų | 148.3 | 78% | 0.777 | 82% | 0.823 | S | S | * | * | | | trans | -132.6 | 6.5 | 166.6 | -23.3 | 104.7 | 0 | 0 | 0 | 114.1 | R245 | R245-W247 PolarHBondContact O-N 2.92Š|
| 248 | E | 48.5 | Very low | 38 | Very low | 181 Ų | 181 | 144.2 Ų | 144.2 | 85% | 0.846 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -107 | 20.1 | -172.1 | -69.5 | 171.7 | 178.3 | 0 | 0 | 114 | | |
| 249 | L | 45.5 | Very low | 37.8 | Very low | 174 Ų | 174 | 146.5 Ų | 146.5 | 91% | 0.911 | 83% | 0.825 | S | S | * | * | | | trans | -122.3 | 35.3 | -171.4 | -107.4 | 143.9 | 0 | 0 | 0 | 114.5 | | |
| 250 | L | 39 | Very low | 37.5 | Very low | 179 Ų | 179 | 145.4 Ų | 145.4 | 94% | 0.937 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -120.2 | 18 | 172.2 | -102.7 | 162.2 | 0 | 0 | 0 | 114 | | |
| 251 | S | 38.8 | Very low | 37.7 | Very low | 92 Ų | 92 | 146 Ų | 146 | 64% | 0.643 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -139.2 | 77.2 | 171.8 | 57.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 252 | Q | 39.1 | Very low | 37.9 | Very low | 191 Ų | 191 | 143.3 Ų | 143.3 | 89% | 0.893 | 82% | 0.818 | S | S | * | * | | | trans | 174.9 | 84.4 | 158 | -100.4 | 170.1 | 97.3 | 0 | 0 | 112.1 | | |
| 253 | T | 31.4 | Very low | 38.2 | Very low | 138 Ų | 138 | 145.6 Ų | 145.6 | 85% | 0.847 | 82% | 0.819 | S | S | * | * | | | trans | -159.6 | 111.8 | 157.6 | -55.8 | 0 | 0 | 0 | 0 | 102 | | |
| 254 | E | 38 | Very low | 38.4 | Very low | 172 Ų | 172 | 148.4 Ų | 148.4 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | | | cis | -153.3 | 140.9 | 47.9 | -65.2 | 168.2 | 106 | 0 | 0 | 109.6 | | |
| 255 | Q | 35.8 | Very low | 38.2 | Very low | 200 Ų | 200 | 148.5 Ų | 148.5 | 94% | 0.935 | 82% | 0.822 | S | S | * | * | | | trans | -177 | 99.3 | 138.6 | -102.2 | 178.4 | 80.1 | 0 | 0 | 109.4 | | |
| 256 | T | 32.3 | Very low | 38 | Very low | 146 Ų | 146 | 144.7 Ų | 144.7 | 90% | 0.896 | 82% | 0.822 | S | S | * | * | | | trans | -124.3 | 119.2 | 158.8 | -70.2 | 0 | 0 | 0 | 0 | 106.6 | | |
| 257 | G | 33.6 | Very low | 37.2 | Very low | 71 Ų | 71 | 147.9 Ų | 147.9 | 73% | 0.732 | 83% | 0.827 | S | S | * | * | | | trans | -84.7 | 153 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 258 | A | 35.2 | Very low | 37.5 | Very low | 100 Ų | 100 | 144 Ų | 144 | 83% | 0.826 | 83% | 0.825 | S | S | * | * | | | | -177.4 | 133.2 | 121.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 259 | K | 33.1 | Very low | 37.2 | Very low | 203 Ų | 203 | 141.2 Ų | 141.2 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | | | trans | 89.4 | 94.2 | 139.3 | -128.4 | 172.7 | -178.6 | -178.4 | 0 | 121.1 | | |
| 260 | A | 35.3 | Very low | 36.8 | Very low | 100 Ų | 100 | 137.6 Ų | 137.6 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | | | | 45.9 | 113.8 | 128.9 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 261 | A | 34.8 | Very low | 36.8 | Very low | 92 Ų | 92 | 132.8 Ų | 132.8 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | | | | -168.9 | 118.9 | 124 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 262 | S | 37.1 | Very low | 36.9 | Very low | 110 Ų | 110 | 135.7 Ų | 135.7 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | | | trans | 37.6 | 134 | 152.2 | 49 | 0 | 0 | 0 | 0 | 123.1 | | |
| 263 | P | 40.8 | Very low | 37.2 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 156.3 | 171.5 | 37.8 | -31 | 0 | 0 | 0 | 112.7 | | |
| 264 | P | 40.3 | Very low | 37.5 | Very low | 131 Ų | 131 | 131.5 Ų | 131.5 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 127.5 | 149.5 | 31.7 | -22.5 | 0 | 0 | 0 | 111 | | |
| 265 | K | 36.8 | Very low | 37.7 | Very low | 195 Ų | 195 | 134.6 Ų | 134.6 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 122 | 172.8 | 168.5 | 176.4 | -176.7 | 172.8 | 0 | 110.4 | | |
| 266 | V | 35.3 | Very low | 38.4 | Very low | 128 Ų | 128 | 132.9 Ų | 132.9 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | | | trans | -163.7 | 93.9 | 149 | 176.5 | 0 | 0 | 0 | 0 | 105.6 | | |
| 267 | E | 31.8 | Very low | 39 | Very low | 177 Ų | 177 | 132 Ų | 132 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | | | | 86.9 | 119.1 | 93.9 | -160.7 | 171.4 | -171.1 | 0 | 0 | 112.9 | | |
| 268 | V | 46.1 | Very low | 39.1 | Very low | 122 Ų | 122 | 137.1 Ų | 137.1 | 74% | 0.739 | 80% | 0.801 | S | S | * | * | | | trans | -88.3 | 146 | 177.5 | 173.8 | 0 | 0 | 0 | 0 | 108.4 | S270 | V268-S270 VanDerWaalsContact CG1-N 3.25Š|
| 269 | P | 40.6 | Very low | 39.5 | Very low | 123 Ų | 123 | 138.7 Ų | 138.7 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | | | | -133.2 | 113.8 | 120 | 20 | -1.5 | 0 | 0 | 0 | 109.5 | | |
| 270 | S | 37.3 | Very low | 39.9 | Very low | 98 Ų | 98 | 134.8 Ų | 134.8 | 69% | 0.685 | 80% | 0.796 | S | S | * | * | | | | 70.8 | 107 | 76 | -173.4 | 0 | 0 | 0 | 0 | 113.1 | V268 | V268-S270 VanDerWaalsContact CG1-N 3.25Š|
| 271 | A | 40.1 | Very low | 40.3 | Very low | 79 Ų | 79 | 136.3 Ų | 136.3 | 65% | 0.653 | 80% | 0.795 | S | S | * | * | | | trans | 41.8 | 111.7 | 147.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 272 | N | 40 | Very low | 40.6 | Very low | 153 Ų | 153 | 139.9 Ų | 139.9 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | | -177.4 | 135.3 | 123.4 | -92.5 | -55.7 | 0 | 0 | 0 | 110.2 | | |
| 273 | P | 46.2 | Very low | 40.7 | Very low | 108 Ų | 108 | 139.6 Ų | 139.6 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 137.5 | 164.3 | 30.6 | -30.6 | 0 | 0 | 0 | 109.9 | R275 | P273-R275 PolarHBondContact O-N 3.43Š|
| 274 | P | 38.2 | Very low | 40.6 | Very low | 133 Ų | 133 | 137.3 Ų | 137.3 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 128.8 | 175 | 26.7 | -30 | 0 | 0 | 0 | 110.5 | | |
| 275 | R | 41.9 | Very low | 40.4 | Very low | 236 Ų | 236 | 141 Ų | 141 | 89% | 0.891 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 147.7 | -177.5 | -64 | -179.4 | 175.2 | 171.8 | -2 | 112 | P273 | P273-R275 PolarHBondContact O-N 3.43Š|
| 276 | L | 49.9 | Very low | 40.8 | Very low | 164 Ų | 164 | 140 Ų | 140 | 86% | 0.859 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 134.7 | 166.6 | -64.9 | 167.1 | 0 | 0 | 0 | 110.4 | | |
| 277 | P | 45.9 | Very low | 41.2 | Very low | 127 Ų | 127 | 141.4 Ų | 141.4 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 132.7 | 168.7 | 27.9 | -28.8 | 0 | 0 | 0 | 111 | | |
| 278 | E | 35.1 | Very low | 41.6 | Very low | 179 Ų | 179 | 139 Ų | 139 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 146.3 | 173.4 | -77.7 | 159 | 131.3 | 0 | 0 | 113.5 | | |
| 279 | T | 43.4 | Very low | 41.3 | Very low | 134 Ų | 134 | 138.2 Ų | 138.2 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | | | trans | -20.5 | 129.8 | 155 | 26.5 | 0 | 0 | 0 | 0 | 116.4 | | |
| 280 | P | 40.4 | Very low | 41.9 | Very low | 120 Ų | 120 | 137.5 Ų | 137.5 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | | | trans | -99 | 116 | 148 | 31 | -21.6 | 0 | 0 | 0 | 110.5 | | |
| 281 | V | 45.2 | Very low | 42.2 | Very low | 132 Ų | 132 | 142.2 Ų | 142.2 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | | | trans | 15.8 | 115.1 | 146.3 | 177.5 | 0 | 0 | 0 | 0 | 117.1 | P283 | V281-P283 WeakPolarHBondContact O-CD 3.49Š|
| 282 | E | 40.2 | Very low | 42.1 | Very low | 167 Ų | 167 | 141.3 Ų | 141.3 | 78% | 0.78 | 79% | 0.789 | S | S | * | * | | | trans | -27 | 113.5 | 157.3 | -167.6 | 174.5 | -153.6 | 0 | 0 | 114.9 | A284 | E282-A284 PolarHBondContact O-N 3.27Š|
| 283 | P | 38.6 | Very low | 42.6 | Very low | 104 Ų | 104 | 143.8 Ų | 143.8 | 68% | 0.675 | 80% | 0.795 | S | S | * | * | | | trans | -81.5 | 110 | 156.1 | 28.4 | -25.4 | 0 | 0 | 0 | 107.9 | V281 Y285 | V281-P283 WeakPolarHBondContact O-CD 3.49Å; P283-Y285 PolarHBondContact O-N 3.4Å; P283-Y285 VanDerWaalsContact O-N 3.09Å |
| 284 | A | 38.8 | Very low | 43.1 | Very low | 73 Ų | 73 | 147.4 Ų | 147.4 | 60% | 0.603 | 80% | 0.799 | S | S | * | * | | | trans | -44.6 | 118.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | E282 H286 | E282-A284 PolarHBondContact O-N 3.27Å; A284-H286 VanDerWaalsContact C-N 3.32Å; A284-H286 PolarHBondContact O-N 3.49Å |
| 285 | Y | 36.7 | Very low | 44.3 | Very low | 210 Ų | 210 | 151.5 Ų | 151.5 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | | | trans | -64 | 91.9 | 173.2 | -63.8 | -86.4 | 0 | 0 | 0 | 109.2 | P283 L287 | P283-Y285 PolarHBondContact O-N 3.4Å; P283-Y285 VanDerWaalsContact O-N 3.09Å; Y285-L287 VanDerWaalsContact C-N 3.34Å; Y285-L287 PolarHBondContact O-N 2.93Å |
| 286 | H | 45.1 | Very low | 45.5 | Very low | 174 Ų | 174 | 147.5 Ų | 147.5 | 81% | 0.806 | 79% | 0.794 | S | S | * | * | | | trans | -71.8 | 97 | 158.2 | -79.9 | -73.5 | 0 | 0 | 0 | 107.8 | A284 P288 | A284-H286 VanDerWaalsContact C-N 3.32Å; A284-H286 PolarHBondContact O-N 3.49Å; H286-P288 WeakPolarHBondContact O-CD 3.49Å |
| 287 | L | 42.8 | Very low | 46.2 | Very low | 156 Ų | 156 | 145.6 Ų | 145.6 | 82% | 0.817 | 78% | 0.779 | S | S | * | * | | | trans | -57.3 | 120.5 | 165.1 | -73.9 | 144.7 | 0 | 0 | 0 | 109.1 | Y285 S289 | Y285-L287 VanDerWaalsContact C-N 3.34Å; Y285-L287 PolarHBondContact O-N 2.93Å; L287-S289 PolarHBondContact O-N 3.28Å; L287-S289 VanDerWaalsContact O-N 3.11Å |
| 288 | P | 40.4 | Very low | 47.9 | Very low | 126 Ų | 126 | 142.2 Ų | 142.2 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | trans | -71.4 | 108.1 | 161.5 | 28.2 | -28 | 0 | 0 | 0 | 107.8 | H286 S290 | H286-P288 WeakPolarHBondContact O-CD 3.49Å; P288-S290 PolarHBondContact O-N 3.41Å |
| 289 | S | 40.5 | Very low | 50.1 | Low | 106 Ų | 106 | 140.5 Ų | 140.5 | 74% | 0.741 | 75% | 0.75 | S | S | * | * | | | trans | -52.6 | 126 | 168.9 | -179.9 | 0 | 0 | 0 | 0 | 111 | L287 | L287-S289 PolarHBondContact O-N 3.28Å; L287-S289 VanDerWaalsContact O-N 3.11Å |
| 290 | S | 52.6 | Low | 52.1 | Low | 109 Ų | 109 | 142.7 Ų | 142.7 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | | | trans | 24 | 100.3 | 161 | 68 | 0 | 0 | 0 | 0 | 118 | P288 | P288-S290 PolarHBondContact O-N 3.41Š|
| 291 | Q | 44.3 | Very low | 54.3 | Low | 197 Ų | 197 | 140.6 Ų | 140.6 | 92% | 0.921 | 73% | 0.726 | S | S | * | * | | | trans | -122 | 92.1 | 156.8 | -170.3 | 159.2 | -14 | 0 | 0 | 110.4 | | |
| 292 | G | 38.7 | Very low | 56.4 | Low | 60 Ų | 60 | 140.4 Ų | 140.4 | 62% | 0.619 | 71% | 0.714 | S | S | * | * | | | trans | 61.5 | 90.8 | 154.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | K294 | G292-K294 VanDerWaalsContact C-N 3.25Å; G292-K294 PolarHBondContact O-N 2.95Å |
| 293 | H | 50.5 | Low | 58.9 | Low | 205 Ų | 205 | 134.8 Ų | 134.8 | 95% | 0.949 | 69% | 0.691 | S | S | * | * | | | trans | -61.5 | 86.7 | 159.5 | -71.7 | -16.8 | 0 | 0 | 0 | 110.7 | | |
| 294 | K | 56.4 | Low | 61.4 | Low | 183 Ų | 183 | 136 Ų | 136 | 80% | 0.796 | 69% | 0.686 | S | S | * | * | | | trans | -93.4 | 89.8 | 165.4 | -76.3 | -137.8 | 176.6 | -175.9 | 0 | 109.1 | G292 D296 | G292-K294 VanDerWaalsContact C-N 3.25Å; G292-K294 PolarHBondContact O-N 2.95Å; K294-D296 VanDerWaalsContact C-N 3.27Å; K294-D296 PolarHBondContact O-N 2.93Å |
| 295 | R | 62.4 | Low | 63.9 | Low | 220 Ų | 220 | 137.2 Ų | 137.2 | 83% | 0.83 | 69% | 0.685 | S | S | * | * | | | trans | 34.9 | 49.8 | 157.1 | -72.7 | -176.8 | 178.3 | 161 | -0.3 | 116.1 | F297 | R295-F297 VanDerWaalsContact C-N 3.3Å; R295-F297 PolarHBondContact O-N 3.46Å |
| 296 | D | 66.5 | Low | 66.6 | Low | 152 Ų | 152 | 132.2 Ų | 132.2 | 81% | 0.813 | 67% | 0.672 | S | S | * | * | | | trans | -77.9 | 93.4 | 159.6 | -68.8 | -41.7 | 0 | 0 | 0 | 106.6 | K294 S298 | K294-D296 VanDerWaalsContact C-N 3.27Å; K294-D296 PolarHBondContact O-N 2.93Å; D296-S298 PolarHBondContact O-N 2.97Å |
| 297 | F | 65.9 | Low | 68.8 | Low | 124 Ų | 124 | 128.4 Ų | 128.4 | 54% | 0.544 | 66% | 0.657 | S | S | . | * | | | trans | -49.9 | 127.2 | 171 | -70.7 | -77.3 | 0 | 0 | 0 | 108.2 | R295 D301 K302 | R295-F297 VanDerWaalsContact C-N 3.3Å; R295-F297 PolarHBondContact O-N 3.46Å; F297-D301 HydrophobicContact CB-CB 4.08Å; F297-D301 HydrophobicContact CD1-CB 4.19Å; F297-K302 HydrophobicContact CB-CG 4.14Å; F297-K302 WeakPolarHBondContact O-CE 3.37Å |
| 298 | S | 80.4 | Confident | 71 | Confident | 55 Ų | 55 | 125.2 Ų | 125.2 | 39% | 0.385 | 64% | 0.641 | S | S | . | * | | | trans | -53.3 | 149.6 | 176.9 | 72.1 | 0 | 0 | 0 | 0 | 108.9 | D296 W300 D301 K302 | D296-S298 PolarHBondContact O-N 2.97Å; S298-W300 PolarHBondContact O-N 3.38Å; S298-D301 WeakPolarHBondContact CB-OD2 3.34Å; S298-D301 PolarHBondContact N-OD2 3.05Å; S298-D301 WeakPolarHBondContact O-CB 3.24Å; S298-D301 PolarHBondContact O-N 3.47Å; S298-D301 PolarHBondContact OG-N 3.35Å; S298-D301 VanDerWaalsContact OG-N 3.12Å; S298-D301 PolarHBondContact OG-OD2 3.44Å; S298-K302 PolarHBondContact O-N 3.36Å |
| 299 | H | 81.4 | Confident | 73.4 | Confident | 143 Ų | 143 | 127.1 Ų | 127.1 | 66% | 0.662 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -49.8 | -36.7 | 177.1 | 178.1 | 76 | 0 | 0 | 0 | 111.3 | K302 V303 | H299-K302 PolarHBondContact O-N 2.97Å; H299-V303 WeakPolarHBondContact O-CG2 3.43Å; H299-V303 PolarHBondContact O-N 3.47Å |
| 300 | W | 86.4 | Confident | 75.5 | Confident | 180 Ų | 180 | 126.9 Ų | 126.9 | 68% | 0.682 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -65.8 | -39.4 | 174.6 | -81.5 | 113 | 0 | 0 | 0 | 114.6 | S298 K302 V303 K304 | S298-W300 PolarHBondContact O-N 3.38Å; W300-K302 VanDerWaalsContact C-N 3.3Å; W300-K302 PolarHBondContact O-N 3.28Å; W300-V303 HydrophobicContact CE3-CB 4.45Å; W300-V303 HydrophobicContact CE3-CG1 4.5Å; W300-V303 HydrophobicContact CZ3-CG1 4.44Å; W300-V303 PolarHBondContact O-N 2.89Å; W300-K304 VanDerWaalsContact O-CG 3.27Å; W300-K304 WeakPolarHBondContact O-CG 3.38Å; W300-K304 PolarHBondContact O-N 2.71Å |
| 301 | D | 86.8 | Confident | 76.6 | Confident | 77 Ų | 77 | 125 Ų | 125 | 41% | 0.412 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -64.1 | -37.1 | 176 | -67.7 | -44.3 | 0 | 0 | 0 | 111.7 | F297 S298 K304 V305 | F297-D301 HydrophobicContact CB-CB 4.08Å; F297-D301 HydrophobicContact CD1-CB 4.19Å; S298-D301 WeakPolarHBondContact CB-OD2 3.34Å; S298-D301 PolarHBondContact N-OD2 3.05Å; S298-D301 WeakPolarHBondContact O-CB 3.24Å; S298-D301 PolarHBondContact O-N 3.47Å; S298-D301 PolarHBondContact OG-N 3.35Å; S298-D301 VanDerWaalsContact OG-N 3.12Å; S298-D301 PolarHBondContact OG-OD2 3.44Å; D301-K304 PolarHBondContact O-N 3.08Å; D301-V305 VanDerWaalsContact O-CG2 3.28Å; D301-V305 WeakPolarHBondContact O-CG2 3.48Å; D301-V305 PolarHBondContact O-N 2.78Å |
| 302 | K | 89.8 | Confident | 77.9 | Confident | 128 Ų | 128 | 124.1 Ų | 124.1 | 56% | 0.557 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63 | -43.9 | 174.6 | -64 | 179.2 | -177 | 175.9 | 0 | 111.4 | F297 S298 H299 W300 V305 L306 | F297-K302 HydrophobicContact CB-CG 4.14Å; F297-K302 WeakPolarHBondContact O-CE 3.37Å; S298-K302 PolarHBondContact O-N 3.36Å; H299-K302 PolarHBondContact O-N 2.97Å; W300-K302 VanDerWaalsContact C-N 3.3Å; W300-K302 PolarHBondContact O-N 3.28Å; K302-V305 PolarHBondContact O-N 2.84Å; K302-L306 PolarHBondContact O-N 2.92Å |
| 303 | V | 92.2 | Very high | 79.2 | Confident | 48 Ų | 48 | 130 Ų | 130 | 29% | 0.291 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62.9 | -43.5 | 175.8 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | H299 W300 V305 L306 L307 | H299-V303 WeakPolarHBondContact O-CG2 3.43Å; H299-V303 PolarHBondContact O-N 3.47Å; W300-V303 HydrophobicContact CE3-CB 4.45Å; W300-V303 HydrophobicContact CE3-CG1 4.5Å; W300-V303 HydrophobicContact CZ3-CG1 4.44Å; W300-V303 PolarHBondContact O-N 2.89Å; V303-V305 PolarHBondContact O-N 2.93Å; V303-L306 PolarHBondContact O-N 2.98Å; V303-L307 HydrophobicContact CG1-CD1 4.02Å; V303-L307 HydrophobicContact CG1-CG 4.46Å; V303-L307 WeakPolarHBondContact O-CG 3.39Å; V303-L307 PolarHBondContact O-N 3.44Å |
| 304 | K | 90.9 | Very high | 79.7 | Confident | 131 Ų | 131 | 123.6 Ų | 123.6 | 57% | 0.57 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.2 | -41 | 177.3 | -71.9 | -71.8 | -171.6 | 180 | 0 | 112.4 | W300 D301 N308 | W300-K304 VanDerWaalsContact O-CG 3.27Å; W300-K304 WeakPolarHBondContact O-CG 3.38Å; W300-K304 PolarHBondContact O-N 2.71Å; D301-K304 PolarHBondContact O-N 3.08Å; K304-N308 WeakPolarHBondContact O-CB 3.47Å; K304-N308 PolarHBondContact O-N 3.26Å |
| 305 | V | 91.1 | Very high | 79.6 | Confident | 97 Ų | 97 | 122.3 Ų | 122.3 | 59% | 0.588 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.4 | -42.1 | 175.6 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | D301 K302 V303 N308 R309 | D301-V305 VanDerWaalsContact O-CG2 3.28Å; D301-V305 WeakPolarHBondContact O-CG2 3.48Å; D301-V305 PolarHBondContact O-N 2.78Å; K302-V305 PolarHBondContact O-N 2.84Å; V303-V305 PolarHBondContact O-N 2.93Å; V305-N308 PolarHBondContact O-N 3.25Å; V305-R309 WeakPolarHBondContact O-CB 3.43Å; V305-R309 PolarHBondContact O-N 3.37Å |
| 306 | L | 92.9 | Very high | 79 | Confident | 105 Ų | 105 | 119.3 Ų | 119.3 | 55% | 0.55 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.2 | -47.4 | 177.8 | -176.1 | 63.4 | 0 | 0 | 0 | 111.8 | K302 V303 N308 R309 I310 | K302-L306 PolarHBondContact O-N 2.92Å; V303-L306 PolarHBondContact O-N 2.98Å; L306-N308 PolarHBondContact O-N 3.37Å; L306-R309 WeakPolarHBondContact O-CB 3.36Å; L306-R309 PolarHBondContact O-N 2.9Å; L306-R309 VanDerWaalsContact O-N 3.17Å; L306-I310 HydrophobicContact CD1-CD1 4.3Å; L306-I310 HydrophobicContact CG-CD1 4.06Å; L306-I310 WeakPolarHBondContact O-CG1 3.48Å; L306-I310 PolarHBondContact O-N 3.36Å |
| 307 | L | 90.6 | Very high | 77.9 | Confident | 94 Ų | 94 | 120 Ų | 120 | 49% | 0.492 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -60.6 | -46 | 177 | -73.7 | 172 | 0 | 0 | 0 | 111.5 | V303 R309 I310 C311 | V303-L307 HydrophobicContact CG1-CD1 4.02Å; V303-L307 HydrophobicContact CG1-CG 4.46Å; V303-L307 WeakPolarHBondContact O-CG 3.39Å; V303-L307 PolarHBondContact O-N 3.44Å; L307-R309 VanDerWaalsContact C-N 3.27Å; L307-R309 PolarHBondContact O-N 2.74Å; L307-I310 PolarHBondContact O-N 3.37Å; L307-C311 WeakPolarHBondContact O-CB 3.4Å; L307-C311 PolarHBondContact O-N 3.47Å; L307-C311 PolarHBondContact O-SG 2.99Å |
| 308 | N | 89.9 | Confident | 77.4 | Confident | 90 Ų | 90 | 119.6 Ų | 119.6 | 48% | 0.481 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -59.3 | -38.9 | 175.5 | -106.5 | -62.9 | 0 | 0 | 0 | 112.4 | K304 V305 L306 R312 | K304-N308 WeakPolarHBondContact O-CB 3.47Å; K304-N308 PolarHBondContact O-N 3.26Å; V305-N308 PolarHBondContact O-N 3.25Å; L306-N308 PolarHBondContact O-N 3.37Å; N308-R312 WeakPolarHBondContact O-CB 3.4Å; N308-R312 VanDerWaalsContact O-CG 3.3Å; N308-R312 WeakPolarHBondContact O-CG 3.36Å; N308-R312 PolarHBondContact O-N 3.19Å |
| 309 | R | 90.4 | Very high | 75.9 | Confident | 166 Ų | 166 | 125.6 Ų | 125.6 | 63% | 0.626 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -66.5 | -41.8 | 178.9 | -172.5 | 177.3 | -174.9 | 173.4 | 1.8 | 111.8 | V305 L306 L307 R313 | V305-R309 WeakPolarHBondContact O-CB 3.43Å; V305-R309 PolarHBondContact O-N 3.37Å; L306-R309 WeakPolarHBondContact O-CB 3.36Å; L306-R309 PolarHBondContact O-N 2.9Å; L306-R309 VanDerWaalsContact O-N 3.17Å; L307-R309 VanDerWaalsContact C-N 3.27Å; L307-R309 PolarHBondContact O-N 2.74Å; R309-R313 WeakPolarHBondContact O-CB 3.35Å; R309-R313 PolarHBondContact O-N 2.93Å; R309-R313 VanDerWaalsContact O-N 3.09Å |
| 310 | I | 84.5 | Confident | 74.7 | Confident | 100 Ų | 100 | 124 Ų | 124 | 51% | 0.513 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -66.9 | -48.1 | 178 | -65.3 | 165.3 | 0 | 0 | 0 | 110.1 | L306 L307 R312 R313 S314 | L306-I310 HydrophobicContact CD1-CD1 4.3Å; L306-I310 HydrophobicContact CG-CD1 4.06Å; L306-I310 WeakPolarHBondContact O-CG1 3.48Å; L306-I310 PolarHBondContact O-N 3.36Å; L307-I310 PolarHBondContact O-N 3.37Å; I310-R312 VanDerWaalsContact C-N 3.31Å; I310-R312 PolarHBondContact O-N 3.27Å; I310-R313 PolarHBondContact O-N 3.36Å; I310-R313 VanDerWaalsContact O-N 3.12Å; I310-S314 PolarHBondContact O-N 3.45Å; I310-S314 VanDerWaalsContact O-N 3.08Å |
| 311 | C | 76.8 | Confident | 73.3 | Confident | 70 Ų | 70 | 121.3 Ų | 121.3 | 47% | 0.473 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -61.6 | -36.9 | 179.2 | -65.7 | 0 | 0 | 0 | 0 | 112.6 | L307 S314 H315 | L307-C311 WeakPolarHBondContact O-CB 3.4Å; L307-C311 PolarHBondContact O-N 3.47Å; L307-C311 PolarHBondContact O-SG 2.99Å; C311-S314 PolarHBondContact O-OG 2.93Å; C311-H315 PolarHBondContact O-ND1 3.24Å |
| 312 | R | 70.4 | Confident | 72.1 | Confident | 178 Ų | 178 | 122 Ų | 122 | 67% | 0.672 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -73.8 | -29.7 | 176.1 | -73.3 | 178.4 | -177.7 | -106.6 | 2.1 | 113 | N308 I310 H316 | N308-R312 WeakPolarHBondContact O-CB 3.4Å; N308-R312 VanDerWaalsContact O-CG 3.3Å; N308-R312 WeakPolarHBondContact O-CG 3.36Å; N308-R312 PolarHBondContact O-N 3.19Å; I310-R312 VanDerWaalsContact C-N 3.31Å; I310-R312 PolarHBondContact O-N 3.27Å; R312-H316 PolarHBondContact O-CD2 3.02Å |
| 313 | R | 66.8 | Low | 70.6 | Confident | 183 Ų | 183 | 121.5 Ų | 121.5 | 69% | 0.691 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -78.1 | -28.7 | -179.3 | -152.1 | 169.4 | -164.5 | 170.6 | 1.5 | 112.7 | R309 I310 H315 H316 | R309-R313 WeakPolarHBondContact O-CB 3.35Å; R309-R313 PolarHBondContact O-N 2.93Å; R309-R313 VanDerWaalsContact O-N 3.09Å; I310-R313 PolarHBondContact O-N 3.36Å; I310-R313 VanDerWaalsContact O-N 3.12Å; R313-H315 VanDerWaalsContact C-N 3.32Å; R313-H315 PolarHBondContact O-N 3.24Å; R313-H316 PolarHBondContact O-N 3.24Å |
| 314 | S | 60.6 | Low | 68.8 | Low | 71 Ų | 71 | 125.2 Ų | 125.2 | 50% | 0.497 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -70.7 | -24.4 | 175.9 | 63.9 | 0 | 0 | 0 | 0 | 113.9 | I310 C311 H316 | I310-S314 PolarHBondContact O-N 3.45Å; I310-S314 VanDerWaalsContact O-N 3.08Å; C311-S314 PolarHBondContact O-OG 2.93Å; S314-H316 VanDerWaalsContact C-N 3.28Å; S314-H316 PolarHBondContact O-N 2.75Å |
| 315 | H | 54.5 | Low | 66.8 | Low | 156 Ų | 156 | 127.5 Ų | 127.5 | 72% | 0.722 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -7.2 | 178.2 | -72.5 | 72.1 | 0 | 0 | 0 | 113.6 | C311 R313 | C311-H315 PolarHBondContact O-ND1 3.24Å; R313-H315 VanDerWaalsContact C-N 3.32Å; R313-H315 PolarHBondContact O-N 3.24Å |
| 316 | H | 49.5 | Very low | 64.3 | Low | 158 Ų | 158 | 126.1 Ų | 126.1 | 73% | 0.731 | 68% | 0.681 | S | S | * | * | | | trans | -115.4 | 49.6 | -179.2 | -69.5 | -60.8 | 0 | 0 | 0 | 111.8 | R312 R313 S314 P318 | R312-H316 PolarHBondContact O-CD2 3.02Å; R313-H316 PolarHBondContact O-N 3.24Å; S314-H316 VanDerWaalsContact C-N 3.28Å; S314-H316 PolarHBondContact O-N 2.75Å; H316-P318 WeakPolarHBondContact O-CD 3.41Å |
| 317 | H | 44.5 | Very low | 61.7 | Low | 165 Ų | 165 | 127.1 Ų | 127.1 | 76% | 0.764 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 123 | 156.6 | -88.5 | -71.6 | 0 | 0 | 0 | 108.6 | E319 | H317-E319 PolarHBondContact O-N 2.71Š|
| 318 | P | 54.9 | Low | 59.1 | Low | 116 Ų | 116 | 130.3 Ų | 130.3 | 75% | 0.753 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 131.8 | 167.1 | -13.6 | 27.8 | 0 | 0 | 0 | 108.9 | H316 | H316-P318 WeakPolarHBondContact O-CD 3.41Š|
| 319 | E | 49.1 | Very low | 56.8 | Low | 182 Ų | 182 | 131.8 Ų | 131.8 | 85% | 0.85 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 131.2 | 170.8 | -171.3 | 173.7 | 180 | 0 | 0 | 109.8 | H317 | H317-E319 PolarHBondContact O-N 2.71Š|
| 320 | P | 56.2 | Low | 54.4 | Low | 109 Ų | 109 | 135.4 Ų | 135.4 | 71% | 0.708 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 140.4 | 179.7 | 24 | -30.3 | 0 | 0 | 0 | 110.5 | A322 | P320-A322 PolarHBondContact O-N 3.16Š|
| 321 | P | 57.2 | Low | 52.1 | Low | 124 Ų | 124 | 138.8 Ų | 138.8 | 81% | 0.805 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 137.7 | 178.3 | 26.3 | -32 | 0 | 0 | 0 | 110.1 | | |
| 322 | A | 60.3 | Low | 50.2 | Low | 90 Ų | 90 | 143.3 Ų | 143.3 | 74% | 0.744 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 142.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | P320 | P320-A322 PolarHBondContact O-N 3.16Š|
| 323 | P | 59 | Low | 48.7 | Very low | 118 Ų | 118 | 140.3 Ų | 140.3 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 146.2 | 178 | 26.9 | -32.7 | 0 | 0 | 0 | 111 | | |
| 324 | P | 55 | Low | 47.3 | Very low | 126 Ų | 126 | 141.5 Ų | 141.5 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 133.9 | 178.8 | 27.4 | -32.6 | 0 | 0 | 0 | 111 | G326 | P324-G326 PolarHBondContact O-N 2.92Š|
| 325 | D | 49.5 | Very low | 46.1 | Very low | 180 Ų | 180 | 145 Ų | 145 | 96% | 0.963 | 80% | 0.799 | S | S | * | * | | | trans | -59.8 | 112.6 | 169.7 | -130.8 | -10.5 | 0 | 0 | 0 | 108.5 | | |
| 326 | G | 37 | Very low | 45.4 | Very low | 67 Ų | 67 | 145.7 Ų | 145.7 | 69% | 0.691 | 81% | 0.807 | S | S | * | * | | | trans | -150.6 | 109 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | P324 | P324-G326 PolarHBondContact O-N 2.92Š|
| 327 | S | 38.1 | Very low | 45.1 | Very low | 126 Ų | 126 | 143.7 Ų | 143.7 | 88% | 0.881 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 131.3 | -170.3 | -49.8 | 0 | 0 | 0 | 0 | 117.4 | | |
| 328 | D | 37.8 | Very low | 45.4 | Very low | 162 Ų | 162 | 145.2 Ų | 145.2 | 87% | 0.866 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 144.5 | 166.2 | -88.3 | -38.1 | 0 | 0 | 0 | 113 | | |
| 329 | P | 40.7 | Very low | 44.6 | Very low | 120 Ų | 120 | 150.8 Ų | 150.8 | 78% | 0.779 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 125.3 | 151 | 31 | -21.5 | 0 | 0 | 0 | 111.1 | | |
| 330 | R | 40.6 | Very low | 44.3 | Very low | 243 Ų | 243 | 147.4 Ų | 147.4 | 92% | 0.917 | 82% | 0.815 | S | S | * | * | | | trans | -43.2 | 126.8 | 174.8 | -64.7 | 173.5 | 176.9 | -166.2 | -1.8 | 113.9 | | |
| 331 | I | 36 | Very low | 43.6 | Very low | 170 Ų | 170 | 150.6 Ų | 150.6 | 87% | 0.872 | 82% | 0.82 | S | S | * | * | | | trans | -130 | 127.1 | 141.1 | -61.7 | 179.3 | 0 | 0 | 0 | 108.3 | | |
| 332 | E | 36.6 | Very low | 42.6 | Very low | 165 Ų | 165 | 150.4 Ų | 150.4 | 77% | 0.771 | 82% | 0.821 | S | S | * | * | | | trans | -76.4 | 120.6 | -171.2 | -164.4 | 169 | -155.5 | 0 | 0 | 110.2 | | |
| 333 | S | 38.1 | Very low | 41.7 | Very low | 116 Ų | 116 | 156.2 Ų | 156.2 | 81% | 0.811 | 82% | 0.823 | S | S | * | * | | | trans | -134.9 | 96 | 153.8 | 57.4 | 0 | 0 | 0 | 0 | 108.5 | D335 | S333-D335 PolarHBondContact O-N 3.1Š|
| 334 | R | 38.5 | Very low | 40.8 | Very low | 207 Ų | 207 | 156.5 Ų | 156.5 | 78% | 0.781 | 83% | 0.825 | S | S | * | * | | | trans | -66.2 | 123.2 | 159.5 | -70.4 | -168.7 | -179.2 | -146.6 | 2.2 | 107.5 | | |
| 335 | D | 35 | Very low | 40.5 | Very low | 146 Ų | 146 | 159.4 Ų | 159.4 | 78% | 0.781 | 83% | 0.828 | S | S | * | * | | | | 166.3 | 128.9 | 119.9 | -80.9 | -26.1 | 0 | 0 | 0 | 109.9 | S333 | S333-D335 PolarHBondContact O-N 3.1Š|
| 336 | L | 40.8 | Very low | 40.3 | Very low | 170 Ų | 170 | 162.3 Ų | 162.3 | 89% | 0.89 | 83% | 0.825 | S | S | * | * | S | Bend | trans | 123 | 145.2 | 161.1 | -63.8 | 171.9 | 0 | 0 | 0 | 116 | | |
| 337 | P | 42.8 | Very low | 41.1 | Very low | 116 Ų | 116 | 168.9 Ų | 168.9 | 75% | 0.753 | 84% | 0.835 | S | S | * | * | | | trans | -91.9 | 149.2 | -135.5 | 33.9 | -35.1 | 0 | 0 | 0 | 115.2 | | |
| 338 | E | 49.2 | Very low | 41.7 | Very low | 196 Ų | 196 | 169 Ų | 169 | 92% | 0.916 | 83% | 0.83 | S | S | * | * | | | trans | -43 | 123.5 | 170.1 | -168.9 | 171.3 | -167.4 | 0 | 0 | 113.7 | | |
| 339 | R | 39.2 | Very low | 42.2 | Very low | 233 Ų | 233 | 170.7 Ų | 170.7 | 88% | 0.879 | 83% | 0.83 | S | S | * | * | | | trans | -130.6 | 141.8 | 164.7 | -126.5 | 179.6 | 177.1 | 132.4 | 0.6 | 109.5 | | |
| 340 | P | 42 | Very low | 42.9 | Very low | 111 Ų | 111 | 172.3 Ų | 172.3 | 72% | 0.721 | 83% | 0.829 | S | S | * | * | | | trans | -74.2 | 141 | -157.4 | 3.9 | 6.8 | 0 | 0 | 0 | 112.8 | C342 | P340-C342 PolarHBondContact O-N 2.83Š|
| 341 | Q | 42 | Very low | 43.3 | Very low | 176 Ų | 176 | 165.8 Ų | 165.8 | 82% | 0.822 | 82% | 0.818 | S | S | * | * | | | trans | -65.3 | 98 | 172.8 | -65.8 | 177.9 | 14 | 0 | 0 | 110.7 | R343 | Q341-R343 PolarHBondContact O-N 3.3Š|
| 342 | C | 35.5 | Very low | 44 | Very low | 120 Ų | 120 | 162.9 Ų | 162.9 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | | | trans | -81.6 | 93.4 | 166.5 | -70.4 | 0 | 0 | 0 | 0 | 109.5 | P340 | P340-C342 PolarHBondContact O-N 2.83Š|
| 343 | R | 41.5 | Very low | 44.7 | Very low | 213 Ų | 213 | 163 Ų | 163 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 131.9 | 166.1 | -67.8 | -174.3 | 177.5 | -173.4 | -1.1 | 109.5 | Q341 H345 | Q341-R343 PolarHBondContact O-N 3.3Å; R343-H345 PolarHBondContact O-N 3.06Å |
| 344 | P | 41.3 | Very low | 45.3 | Very low | 124 Ų | 124 | 164.1 Ų | 164.1 | 81% | 0.805 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 120.6 | 167.3 | -6.5 | 22.1 | 0 | 0 | 0 | 109.3 | R346 | P344-R346 PolarHBondContact O-N 3.39Š|
| 345 | H | 48.4 | Very low | 46 | Very low | 187 Ų | 187 | 160.7 Ų | 160.7 | 87% | 0.866 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 118.7 | 173.5 | -86.7 | -72.3 | 0 | 0 | 0 | 111.4 | R343 K347 | R343-H345 PolarHBondContact O-N 3.06Å; H345-K347 PolarHBondContact O-N 3.13Å |
| 346 | R | 45.4 | Very low | 47 | Very low | 241 Ų | 241 | 163.2 Ų | 163.2 | 91% | 0.909 | 83% | 0.825 | S | S | * | * | | | trans | -62 | 113.2 | 164.6 | -79.4 | -178.3 | 163.1 | -169.1 | -5 | 108.6 | P344 T348 | P344-R346 PolarHBondContact O-N 3.39Å; R346-T348 PolarHBondContact O-N 3.44Å |
| 347 | K | 52.8 | Low | 47.9 | Very low | 205 Ų | 205 | 164.8 Ų | 164.8 | 89% | 0.891 | 83% | 0.825 | S | S | * | * | | | trans | -77.3 | 104.6 | 171 | -73.8 | 179.5 | 176.5 | 178.1 | 0 | 108.9 | H345 F349 | H345-K347 PolarHBondContact O-N 3.13Å; K347-F349 PolarHBondContact O-N 3.15Å |
| 348 | T | 51.2 | Low | 48.2 | Very low | 128 Ų | 128 | 168.1 Ų | 168.1 | 79% | 0.785 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 122.6 | 167.2 | -35.1 | 0 | 0 | 0 | 0 | 108.5 | R346 M350 | R346-T348 PolarHBondContact O-N 3.44Å; T348-M350 PolarHBondContact O-N 2.74Å |
| 349 | F | 49.6 | Very low | 48.3 | Very low | 197 Ų | 197 | 170.2 Ų | 170.2 | 86% | 0.864 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 120.9 | 176.9 | -146.8 | -93.5 | 0 | 0 | 0 | 108.7 | K347 | K347-F349 PolarHBondContact O-N 3.15Š|
| 350 | M | 55.4 | Low | 48.8 | Very low | 155 Ų | 155 | 163.2 Ų | 163.2 | 76% | 0.764 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 128.3 | 170.7 | -75.1 | -99.7 | 80.2 | 0 | 0 | 108.9 | T348 | T348-M350 PolarHBondContact O-N 2.74Š|
| 351 | P | 47.8 | Very low | 49.3 | Very low | 106 Ų | 106 | 166.6 Ų | 166.6 | 69% | 0.688 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 128.6 | 174.1 | 30 | -29.2 | 0 | 0 | 0 | 109.6 | | |
| 352 | S | 50.3 | Low | 49.7 | Very low | 109 Ų | 109 | 165.9 Ų | 165.9 | 76% | 0.762 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 127.8 | 177.5 | 46.9 | 0 | 0 | 0 | 0 | 111.1 | V354 | S352-V354 PolarHBondContact O-N 3.05Š|
| 353 | L | 51.6 | Low | 50.5 | Low | 168 Ų | 168 | 167.9 Ų | 167.9 | 88% | 0.88 | 83% | 0.832 | S | S | * | * | | | trans | -70.8 | 115 | 171.8 | -65.7 | 171.2 | 0 | 0 | 0 | 109.1 | V355 | L353-V355 PolarHBondContact O-N 2.85Š|
| 354 | V | 51.1 | Low | 50.5 | Low | 139 Ų | 139 | 163.4 Ų | 163.4 | 84% | 0.842 | 83% | 0.833 | S | S | * | * | | | trans | -77.1 | 111.4 | 177.1 | -154.5 | 0 | 0 | 0 | 0 | 108.5 | S352 K356 | S352-V354 PolarHBondContact O-N 3.05Å; V354-K356 PolarHBondContact O-N 3.44Å |
| 355 | V | 53.4 | Low | 50.7 | Low | 135 Ų | 135 | 164 Ų | 164 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | | | trans | -74.2 | 111.3 | 172.7 | -179.9 | 0 | 0 | 0 | 0 | 108.5 | L353 K357 | L353-V355 PolarHBondContact O-N 2.85Å; V355-K357 PolarHBondContact O-N 3.01Å |
| 356 | K | 56.1 | Low | 50.2 | Low | 198 Ų | 198 | 161.9 Ų | 161.9 | 86% | 0.861 | 86% | 0.863 | S | S | * | * | | | trans | -71.2 | 104.9 | 176.5 | -165.4 | 176.6 | -179.8 | 179.8 | 0 | 109.1 | V354 Q358 | V354-K356 PolarHBondContact O-N 3.44Å; K356-Q358 PolarHBondContact O-N 3.37Å |
| 357 | K | 59.4 | Low | 50.4 | Low | 204 Ų | 204 | 158 Ų | 158 | 89% | 0.887 | 86% | 0.861 | S | S | * | * | | | trans | -66.4 | 114 | 175.9 | -169.9 | 179.7 | 178.8 | -179.5 | 0 | 109.8 | V355 | V355-K357 PolarHBondContact O-N 3.01Š|
| 358 | Q | 50 | Low | 50.3 | Low | 186 Ų | 186 | 155.5 Ų | 155.5 | 87% | 0.869 | 86% | 0.859 | S | S | * | * | | | trans | -72.2 | 127.8 | 176.4 | -172.8 | 172.1 | -14.2 | 0 | 0 | 110.1 | K356 | K356-Q358 PolarHBondContact O-N 3.37Š|
| 359 | R | 50.5 | Low | 50.3 | Low | 239 Ų | 239 | 157 Ų | 157 | 90% | 0.902 | 86% | 0.864 | S | S | * | * | | | trans | -80.6 | 115.3 | 177.6 | -171 | -177.9 | -166.4 | -171.7 | 4.1 | 108.5 | | |
| 360 | A | 49.1 | Very low | 50.3 | Low | 86 Ų | 86 | 154.6 Ų | 154.6 | 71% | 0.711 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 129.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 361 | Q | 52.9 | Low | 50 | Low | 183 Ų | 183 | 154.6 Ų | 154.6 | 86% | 0.855 | 87% | 0.87 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 125.3 | 166.8 | -73.7 | 177.7 | -7.4 | 0 | 0 | 107.9 | L363 | Q361-L363 PolarHBondContact O-N 3.11Š|
| 362 | N | 51.1 | Low | 50.1 | Low | 160 Ų | 160 | 157.9 Ų | 157.9 | 86% | 0.856 | 88% | 0.882 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 118.9 | 170 | -66.9 | -53.9 | 0 | 0 | 0 | 108.3 | | |
| 363 | L | 50.7 | Low | 50.1 | Low | 162 Ų | 162 | 161.4 Ų | 161.4 | 85% | 0.848 | 89% | 0.89 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 118.8 | 164.6 | -69.3 | 170.8 | 0 | 0 | 0 | 107.9 | Q361 | Q361-L363 PolarHBondContact O-N 3.11Š|
| 364 | S | 42.4 | Very low | 50 | Low | 120 Ų | 120 | 160.8 Ų | 160.8 | 84% | 0.839 | 89% | 0.891 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 130.2 | 166.5 | 170.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 365 | V | 44.5 | Very low | 49.9 | Very low | 136 Ų | 136 | 162.7 Ų | 162.7 | 82% | 0.824 | 90% | 0.895 | S | S | * | * | | | trans | -121.8 | 132.1 | 163.3 | -179.6 | 0 | 0 | 0 | 0 | 106.2 | | |
| 366 | G | 38.8 | Very low | 49.6 | Very low | 143 Ų | 143 | 165.2 Ų | 165.2 | 100% | 1.474 | 90% | 0.902 | S | S | * | * | | | trans | -85.9 | 0 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |