| 1 | M | 41.7 | Very low | 63.1 | Low | 245 Ų | 245 | 170.1 Ų | 170.1 | 100% | 1.207 | 87% | 0.874 | S | S | * | * | | | | 0 | 107.4 | 0 | -63.6 | 169.1 | 100.5 | 0 | 0 | 106.9 | | |
| 2 | T | 47.3 | Very low | 64.3 | Low | 140 Ų | 140 | 169.3 Ų | 169.3 | 86% | 0.859 | 87% | 0.871 | S | S | * | * | | | trans | -117.1 | 112.7 | 178.5 | 45.6 | 0 | 0 | 0 | 0 | 108 | R4 | T2-R4 PolarHBondContact O-N 3.33Š|
| 3 | S | 55.1 | Low | 65.1 | Low | 121 Ų | 121 | 164.2 Ų | 164.2 | 85% | 0.846 | 86% | 0.855 | S | S | * | * | | | trans | -70.9 | 123.6 | 176.6 | 59.5 | 0 | 0 | 0 | 0 | 109.2 | E5 | S3-E5 PolarHBondContact O-N 3.41Š|
| 4 | R | 55.5 | Low | 65.7 | Low | 238 Ų | 238 | 161.4 Ų | 161.4 | 90% | 0.898 | 85% | 0.853 | S | S | * | * | | | trans | -71.7 | 116.2 | 169.7 | -73.3 | -179.4 | 177.5 | 179.7 | -1 | 108.4 | T2 T6 | T2-R4 PolarHBondContact O-N 3.33Å; R4-T6 PolarHBondContact O-N 3.45Å |
| 5 | E | 63.9 | Low | 66 | Low | 186 Ų | 186 | 159.1 Ų | 159.1 | 87% | 0.869 | 85% | 0.847 | S | S | * | * | | | trans | -69.8 | 108.8 | 172.2 | -169.1 | 164.3 | -176.9 | 0 | 0 | 109.2 | S3 R7 | S3-E5 PolarHBondContact O-N 3.41Å; E5-R7 PolarHBondContact O-N 3.21Å |
| 6 | T | 65.6 | Low | 65.8 | Low | 130 Ų | 130 | 156.6 Ų | 156.6 | 80% | 0.798 | 84% | 0.842 | S | S | * | * | | | trans | -78.2 | 114.4 | 176.8 | 41.3 | 0 | 0 | 0 | 0 | 109.6 | R4 | R4-T6 PolarHBondContact O-N 3.45Š|
| 7 | R | 67.9 | Low | 65.6 | Low | 234 Ų | 234 | 153.8 Ų | 153.8 | 88% | 0.883 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 139.8 | 175.2 | -64.6 | -178.5 | -172.9 | 170.4 | 2 | 110.4 | E5 | E5-R7 PolarHBondContact O-N 3.21Š|
| 8 | P | 76.1 | Confident | 65 | Low | 114 Ų | 114 | 150.7 Ų | 150.7 | 74% | 0.74 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 152.3 | 176.9 | 27.8 | -33.1 | 0 | 0 | 0 | 111.4 | | |
| 9 | P | 73.8 | Confident | 64.4 | Low | 127 Ų | 127 | 150.1 Ų | 150.1 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 142.5 | 179.6 | 26.5 | -33.5 | 0 | 0 | 0 | 111.3 | A11 | P9-A11 PolarHBondContact O-N 3.39Š|
| 10 | R | 71.1 | Confident | 63.7 | Low | 243 Ų | 243 | 151.8 Ų | 151.8 | 92% | 0.917 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 121 | -179.6 | -171.1 | 175.4 | -176.1 | 123.7 | -1.1 | 109.8 | | |
| 11 | A | 76.4 | Confident | 63 | Low | 93 Ų | 93 | 150.9 Ų | 150.9 | 77% | 0.769 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 138.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | P9 | P9-A11 PolarHBondContact O-N 3.39Š|
| 12 | L | 76.7 | Confident | 63.5 | Low | 160 Ų | 160 | 146.4 Ų | 146.4 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 148.8 | 174.8 | -65.8 | 176.6 | 0 | 0 | 0 | 110.5 | | |
| 13 | P | 75.6 | Confident | 63.9 | Low | 103 Ų | 103 | 146 Ų | 146 | 67% | 0.669 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 147.6 | 175.5 | 28.1 | -34.1 | 0 | 0 | 0 | 110.9 | V15 | P13-V15 PolarHBondContact O-N 3.35Š|
| 14 | P | 73.6 | Confident | 63.9 | Low | 126 Ų | 126 | 145.8 Ų | 145.8 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -63 | 128.9 | 177.9 | 24 | -30.8 | 0 | 0 | 0 | 110.4 | | |
| 15 | V | 69.9 | Low | 64 | Low | 127 Ų | 127 | 142 Ų | 142 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 133 | 174.9 | -169.3 | 0 | 0 | 0 | 0 | 108 | P13 S17 | P13-V15 PolarHBondContact O-N 3.35Å; V15-S17 PolarHBondContact O-N 2.92Å; V15-S17 VanDerWaalsContact O-N 3.12Å |
| 16 | P | 62 | Low | 63.4 | Low | 119 Ų | 119 | 138.7 Ų | 138.7 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 117.3 | 174.9 | 25.3 | -32.3 | 0 | 0 | 0 | 109.6 | A18 | P16-A18 PolarHBondContact O-N 3Š|
| 17 | S | 63.1 | Low | 63.3 | Low | 109 Ų | 109 | 139 Ų | 139 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 133.4 | 172.1 | -46 | 0 | 0 | 0 | 0 | 109.7 | V15 I19 | V15-S17 PolarHBondContact O-N 2.92Å; V15-S17 VanDerWaalsContact O-N 3.12Å; S17-I19 PolarHBondContact O-N 3.47Å |
| 18 | A | 55.4 | Low | 62.8 | Low | 97 Ų | 97 | 134 Ų | 134 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | | | trans | -49.2 | 112.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | P16 Q20 | P16-A18 PolarHBondContact O-N 3Å; A18-Q20 PolarHBondContact O-N 3.04Å |
| 19 | I | 53.3 | Low | 62.2 | Low | 140 Ų | 140 | 137.2 Ų | 137.2 | 72% | 0.718 | 78% | 0.779 | S | S | * | * | | | trans | -62.3 | 109.2 | 166.4 | -64.8 | 162.6 | 0 | 0 | 0 | 104.7 | S17 D21 | S17-I19 PolarHBondContact O-N 3.47Å; I19-D21 VanDerWaalsContact C-N 3.29Å; I19-D21 PolarHBondContact O-N 3.12Å |
| 20 | Q | 50.2 | Low | 61.8 | Low | 184 Ų | 184 | 141.1 Ų | 141.1 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | | | trans | -64.6 | 101.6 | 161.2 | -75.9 | -176.4 | 2.6 | 0 | 0 | 105.6 | A18 D22 | A18-Q20 PolarHBondContact O-N 3.04Å; Q20-D22 VanDerWaalsContact C-N 3.26Å; Q20-D22 PolarHBondContact O-N 2.99Å |
| 21 | D | 48 | Very low | 61.6 | Low | 132 Ų | 132 | 139.3 Ų | 139.3 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | | | trans | -60.2 | 94.6 | 165.3 | -72.6 | -53.3 | 0 | 0 | 0 | 107.5 | I19 I23 | I19-D21 VanDerWaalsContact C-N 3.29Å; I19-D21 PolarHBondContact O-N 3.12Å; D21-I23 VanDerWaalsContact C-N 3.3Å; D21-I23 WeakPolarHBondContact O-CD1 3.47Å; D21-I23 PolarHBondContact O-N 3.07Å |
| 22 | D | 53.5 | Low | 61.1 | Low | 152 Ų | 152 | 144.5 Ų | 144.5 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | | | trans | -65.3 | 94.9 | 166.5 | -171.7 | 29.5 | 0 | 0 | 0 | 107.2 | Q20 P24 | Q20-D22 VanDerWaalsContact C-N 3.26Å; Q20-D22 PolarHBondContact O-N 2.99Å; D22-P24 WeakPolarHBondContact O-CD 3.18Å |
| 23 | I | 55.4 | Low | 60 | Low | 132 Ų | 132 | 142.3 Ų | 142.3 | 68% | 0.677 | 79% | 0.785 | S | S | * | * | | | trans | -64.8 | 113.7 | 177.2 | -64.4 | 119.2 | 0 | 0 | 0 | 107.9 | D21 L25 | D21-I23 VanDerWaalsContact C-N 3.3Å; D21-I23 WeakPolarHBondContact O-CD1 3.47Å; D21-I23 PolarHBondContact O-N 3.07Å; I23-L25 PolarHBondContact O-N 2.88Å; I23-L25 VanDerWaalsContact O-N 3.11Å |
| 24 | P | 55 | Low | 59 | Low | 115 Ų | 115 | 149 Ų | 149 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | | | trans | -69.4 | 117 | 172 | 27.5 | -31.1 | 0 | 0 | 0 | 108.5 | D22 S26 | D22-P24 WeakPolarHBondContact O-CD 3.18Å; P24-S26 PolarHBondContact O-N 2.94Å |
| 25 | L | 58.3 | Low | 57.9 | Low | 160 Ų | 160 | 149 Ų | 149 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | | | trans | -53.7 | 108.7 | 170.7 | -90.8 | 87.4 | 0 | 0 | 0 | 109.3 | I23 H27 | I23-L25 PolarHBondContact O-N 2.88Å; I23-L25 VanDerWaalsContact O-N 3.11Å; L25-H27 PolarHBondContact O-N 3.17Å |
| 26 | S | 51 | Low | 56.9 | Low | 116 Ų | 116 | 152.8 Ų | 152.8 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | | | trans | -68 | 99.6 | 177.8 | 66.7 | 0 | 0 | 0 | 0 | 109.8 | P24 | P24-S26 PolarHBondContact O-N 2.94Š|
| 27 | H | 63.8 | Low | 56.1 | Low | 137 Ų | 137 | 152.8 Ų | 152.8 | 63% | 0.634 | 80% | 0.804 | S | S | * | * | | | trans | -72.3 | 134.9 | 168.4 | 50.2 | -88.2 | 0 | 0 | 0 | 109.5 | L25 K29 | L25-H27 PolarHBondContact O-N 3.17Å; H27-K29 PolarHBondContact O-N 3.11Å; H27-K29 VanDerWaalsContact O-N 3.12Å |
| 28 | P | 56.8 | Low | 55 | Low | 129 Ų | 129 | 153.2 Ų | 153.2 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | | | trans | -70 | 111.4 | -179.5 | 25.8 | -32 | 0 | 0 | 0 | 110.8 | K30 | P28-K30 PolarHBondContact O-N 3.01Š|
| 29 | K | 62.6 | Low | 54.5 | Low | 180 Ų | 180 | 156.2 Ų | 156.2 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 123.9 | 173.4 | -72.8 | -179 | 176.7 | 175.5 | 0 | 110.1 | H27 K31 | H27-K29 PolarHBondContact O-N 3.11Å; H27-K29 VanDerWaalsContact O-N 3.12Å; K29-K31 PolarHBondContact O-N 2.87Å |
| 30 | K | 66.2 | Low | 53.6 | Low | 209 Ų | 209 | 153.3 Ų | 153.3 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 124.9 | 175.9 | -65.9 | -178.2 | 178.8 | 179.4 | 0 | 110.7 | P28 K32 | P28-K30 PolarHBondContact O-N 3.01Å; K30-K32 PolarHBondContact O-N 3.04Å |
| 31 | K | 66.6 | Low | 52.9 | Low | 206 Ų | 206 | 151.2 Ų | 151.2 | 90% | 0.896 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 118.8 | 176.8 | -170.1 | 175.2 | -178 | 178.3 | 0 | 109.9 | K29 | K29-K31 PolarHBondContact O-N 2.87Š|
| 32 | K | 65.4 | Low | 52.3 | Low | 202 Ų | 202 | 150.2 Ų | 150.2 | 88% | 0.878 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 130.4 | 166.6 | -74.7 | -180 | 177.8 | 179.6 | 0 | 108.9 | K30 R34 | K30-K32 PolarHBondContact O-N 3.04Å; K32-R34 PolarHBondContact O-N 3.11Å |
| 33 | S | 53.4 | Low | 51.4 | Low | 113 Ų | 113 | 148.5 Ų | 148.5 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 125.2 | 172.5 | 48.4 | 0 | 0 | 0 | 0 | 110.2 | T35 | S33-T35 PolarHBondContact O-N 3.01Š|
| 34 | R | 56.1 | Low | 50.6 | Low | 244 Ų | 244 | 147 Ų | 147 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | | | trans | -81.3 | 113.3 | 175.6 | -179.1 | 173.4 | 173.1 | 178.5 | -2.9 | 109.3 | K32 | K32-R34 PolarHBondContact O-N 3.11Š|
| 35 | T | 50 | Low | 49.6 | Very low | 126 Ų | 126 | 150.6 Ų | 150.6 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | | | trans | -64.9 | 135.6 | 170.9 | -52.3 | 0 | 0 | 0 | 0 | 110.2 | S33 | S33-T35 PolarHBondContact O-N 3.01Š|
| 36 | K | 49.3 | Very low | 48.3 | Very low | 207 Ų | 207 | 146.2 Ų | 146.2 | 90% | 0.9 | 82% | 0.817 | S | S | * | * | | | trans | -66.2 | 129.7 | 171.9 | -79.1 | 174.1 | 172.8 | 176.7 | 0 | 109.8 | | |
| 37 | S | 44.1 | Very low | 47.4 | Very low | 118 Ų | 118 | 149.9 Ų | 149.9 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | | | trans | -121.6 | 116.5 | 163 | 58.8 | 0 | 0 | 0 | 0 | 109 | | |
| 38 | S | 40.6 | Very low | 46 | Very low | 119 Ų | 119 | 147.7 Ų | 147.7 | 83% | 0.832 | 83% | 0.826 | S | S | * | * | | | trans | -77.6 | 129 | 168.3 | 53 | 0 | 0 | 0 | 0 | 110.3 | | |
| 39 | L | 44.1 | Very low | 45.2 | Very low | 160 Ų | 160 | 149.9 Ų | 149.9 | 84% | 0.838 | 83% | 0.826 | S | S | * | * | | | trans | -149.6 | 96.2 | 163.5 | -164.2 | 69.8 | 0 | 0 | 0 | 104.5 | | |
| 40 | A | 34.9 | Very low | 44.4 | Very low | 79 Ų | 79 | 146.7 Ų | 146.7 | 65% | 0.653 | 82% | 0.823 | S | S | * | * | | | | 53 | 122.6 | 79.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 41 | T | 35.4 | Very low | 42.8 | Very low | 140 Ų | 140 | 142.4 Ų | 142.4 | 86% | 0.859 | 81% | 0.814 | S | S | * | * | | | trans | 92.2 | 97.7 | 167.9 | -16.5 | 0 | 0 | 0 | 0 | 117 | | |
| 42 | A | 35.9 | Very low | 41.4 | Very low | 110 Ų | 110 | 138 Ų | 138 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | | | trans | -142.6 | 119.8 | 138.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 43 | S | 35.3 | Very low | 40 | Very low | 116 Ų | 116 | 135.7 Ų | 135.7 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | | | trans | -100.9 | 159.4 | 177.7 | 177.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 44 | S | 37 | Very low | 39.4 | Very low | 100 Ų | 100 | 142.1 Ų | 142.1 | 70% | 0.699 | 81% | 0.808 | S | S | * | * | | | trans | 105.6 | 93.1 | 163.4 | -160.2 | 0 | 0 | 0 | 0 | 117.2 | | |
| 45 | E | 35 | Very low | 38.5 | Very low | 192 Ų | 192 | 142.2 Ų | 142.2 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | | | | 50.9 | 123.1 | 115.1 | -117.6 | 170.4 | 169.3 | 0 | 0 | 120.5 | | |
| 46 | G | 31.6 | Very low | 37.8 | Very low | 68 Ų | 68 | 141 Ų | 141 | 70% | 0.701 | 81% | 0.812 | S | S | * | * | | | trans | 149.5 | 96.8 | 150.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 47 | H | 32.3 | Very low | 37.3 | Very low | 192 Ų | 192 | 140.4 Ų | 140.4 | 89% | 0.889 | 81% | 0.812 | S | S | * | * | | | trans | 77.8 | 108.9 | 141.4 | -84.1 | -93.5 | 0 | 0 | 0 | 122.9 | | |
| 48 | A | 34.2 | Very low | 36.6 | Very low | 91 Ų | 91 | 138 Ų | 138 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | | | | 74.6 | 100.4 | 127 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 49 | E | 39.8 | Very low | 36.3 | Very low | 176 Ų | 176 | 138 Ų | 138 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | | | trans | -78.3 | 150.4 | 144.8 | -80.2 | -82.3 | 147.2 | 0 | 0 | 109.3 | | |
| 50 | P | 44.5 | Very low | 36.1 | Very low | 112 Ų | 112 | 139 Ų | 139 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | | | | -153.7 | 148.8 | 91.3 | 37.7 | -17.4 | 0 | 0 | 0 | 117.8 | | |
| 51 | V | 33.1 | Very low | 36.4 | Very low | 119 Ų | 119 | 140.7 Ų | 140.7 | 72% | 0.721 | 81% | 0.811 | S | S | * | * | | | | 81 | 108.3 | 128.4 | 169.5 | 0 | 0 | 0 | 0 | 120.2 | | |
| 52 | V | 38.2 | Very low | 36.5 | Very low | 115 Ų | 115 | 139.8 Ų | 139.8 | 70% | 0.697 | 81% | 0.807 | S | S | * | * | | | | 73.3 | 129.8 | 126.6 | 176 | 0 | 0 | 0 | 0 | 121.7 | | |
| 53 | N | 34.9 | Very low | 36.4 | Very low | 152 Ų | 152 | 139.1 Ų | 139.1 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | | | trans | 102.8 | 99.1 | 150.5 | -82.1 | -14.3 | 0 | 0 | 0 | 119.8 | | |
| 54 | R | 41.9 | Very low | 36.7 | Very low | 248 Ų | 248 | 138.5 Ų | 138.5 | 94% | 0.936 | 80% | 0.804 | S | S | * | * | | | | -168.9 | 118.5 | 103.3 | -110.7 | -178.2 | -161.4 | 166.4 | 6.9 | 111.7 | | |
| 55 | R | 35.8 | Very low | 36.4 | Very low | 246 Ų | 246 | 143.1 Ų | 143.1 | 93% | 0.928 | 81% | 0.814 | S | S | * | * | | | trans | -79.1 | 134 | 159.6 | -132 | 174.2 | -171.5 | 149.4 | 0.2 | 107.4 | | |
| 56 | A | 35.1 | Very low | 36.5 | Very low | 101 Ų | 101 | 141.6 Ų | 141.6 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | | | trans | -142.9 | 131.4 | 158.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 57 | E | 39.3 | Very low | 36.7 | Very low | 194 Ų | 194 | 147.3 Ų | 147.3 | 91% | 0.907 | 82% | 0.817 | S | S | * | * | | | trans | -85 | 162.3 | -164.3 | -65 | 173 | 124.2 | 0 | 0 | 114.4 | | |
| 58 | G | 29.6 | Very low | 36.6 | Very low | 69 Ų | 69 | 147.2 Ų | 147.2 | 71% | 0.711 | 82% | 0.817 | S | S | * | * | | | trans | 92.7 | 139.9 | 152.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 59 | S | 34.8 | Very low | 36.9 | Very low | 117 Ų | 117 | 149.9 Ų | 149.9 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | | | cis | -163.7 | 149 | 0.8 | -73.6 | 0 | 0 | 0 | 0 | 107.1 | | |
| 60 | E | 38.8 | Very low | 37 | Very low | 182 Ų | 182 | 147.4 Ų | 147.4 | 85% | 0.85 | 81% | 0.813 | S | S | * | * | | | trans | 69.2 | 134.4 | 150.7 | -153.5 | 171.3 | 140.8 | 0 | 0 | 121 | | |
| 61 | P | 42.6 | Very low | 36.5 | Very low | 114 Ų | 114 | 149.9 Ų | 149.9 | 74% | 0.74 | 82% | 0.815 | S | S | * | * | | | trans | -101 | 143.1 | 177.5 | 36.9 | -27.6 | 0 | 0 | 0 | 112.2 | | |
| 62 | P | 37.6 | Very low | 36.9 | Very low | 121 Ų | 121 | 148.8 Ų | 148.8 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | | | trans | -105.8 | 122.5 | 158.2 | 29 | -16.2 | 0 | 0 | 0 | 111.2 | | |
| 63 | A | 32.7 | Very low | 37.1 | Very low | 96 Ų | 96 | 149 Ų | 149 | 79% | 0.793 | 82% | 0.822 | S | S | * | * | | | trans | 61.4 | 124.5 | 133.4 | 0 | 0 | 0 | 0 | 0 | 119.6 | E65 | A63-E65 PolarHBondContact O-N 3.25Š|
| 64 | A | 41.4 | Very low | 37.5 | Very low | 104 Ų | 104 | 146.3 Ų | 146.3 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | | | trans | -51.3 | 116.3 | 167 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 65 | E | 31.4 | Very low | 37.7 | Very low | 196 Ų | 196 | 140 Ų | 140 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | | | trans | -91.2 | 106.8 | 156.1 | -114.5 | -173.9 | 157.5 | 0 | 0 | 108.6 | A63 K67 | A63-E65 PolarHBondContact O-N 3.25Å; E65-K67 PolarHBondContact O-N 3.38Å |
| 66 | L | 37.9 | Very low | 38.4 | Very low | 161 Ų | 161 | 139.4 Ų | 139.4 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | | | trans | -61.6 | 122 | 175.5 | -162.6 | 130.9 | 0 | 0 | 0 | 108.6 | E68 | L66-E68 PolarHBondContact O-N 3.34Å; L66-E68 VanDerWaalsContact O-N 3.08Å |
| 67 | K | 34 | Very low | 39.1 | Very low | 188 Ų | 188 | 146.6 Ų | 146.6 | 82% | 0.817 | 82% | 0.815 | S | S | * | * | | | trans | -43.4 | 112 | 168 | -86.7 | 171.1 | 168.9 | 169.3 | 0 | 110.9 | E65 H69 | E65-K67 PolarHBondContact O-N 3.38Å; K67-H69 PolarHBondContact O-N 3.01Å |
| 68 | E | 31.3 | Very low | 39.8 | Very low | 190 Ų | 190 | 144.9 Ų | 144.9 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | | | trans | -83.2 | 112.5 | 161.7 | -161.6 | 176.5 | 159 | 0 | 0 | 108.7 | L66 | L66-E68 PolarHBondContact O-N 3.34Å; L66-E68 VanDerWaalsContact O-N 3.08Å |
| 69 | H | 40 | Very low | 40.8 | Very low | 147 Ų | 147 | 150.4 Ų | 150.4 | 68% | 0.681 | 81% | 0.812 | S | S | * | * | | | trans | -79.6 | 133.6 | 178.1 | -134.5 | -100.2 | 0 | 0 | 0 | 109.5 | K67 | K67-H69 PolarHBondContact O-N 3.01Š|
| 70 | P | 41.2 | Very low | 41.6 | Very low | 124 Ų | 124 | 154.8 Ų | 154.8 | 81% | 0.805 | 82% | 0.816 | S | S | * | * | | | trans | -92.6 | 111.1 | 169.8 | 33 | -25.3 | 0 | 0 | 0 | 109.2 | | |
| 71 | E | 35.9 | Very low | 42.4 | Very low | 164 Ų | 164 | 154 Ų | 154 | 77% | 0.766 | 82% | 0.816 | S | S | * | * | | | trans | -136.8 | 94.7 | 170.9 | -160.1 | 169.9 | 153.5 | 0 | 0 | 112.4 | | |
| 72 | A | 40.4 | Very low | 43.2 | Very low | 95 Ų | 95 | 159.7 Ų | 159.7 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | | | | 46.3 | 160.5 | 129 | 0 | 0 | 0 | 0 | 0 | 123.5 | | |
| 73 | P | 42.9 | Very low | 44.2 | Very low | 120 Ų | 120 | 158.9 Ų | 158.9 | 78% | 0.779 | 82% | 0.817 | S | S | * | * | | | trans | -109.4 | 161.4 | -144.2 | 40 | -33.6 | 0 | 0 | 0 | 117.8 | | |
| 74 | A | 42.9 | Very low | 45.3 | Very low | 96 Ų | 96 | 159.6 Ų | 159.6 | 79% | 0.793 | 81% | 0.814 | S | S | * | * | | | trans | 80 | 150.6 | 153 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 75 | P | 45.3 | Very low | 45.9 | Very low | 115 Ų | 115 | 161 Ų | 161 | 75% | 0.747 | 81% | 0.814 | S | S | * | * | | | cis | -144 | 152.3 | 41 | 37.9 | -15.9 | 0 | 0 | 0 | 119.4 | | |
| 76 | R | 51.4 | Low | 46.6 | Very low | 233 Ų | 233 | 160.4 Ų | 160.4 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | | | trans | 20.2 | 114.6 | 141.9 | -63.9 | 177.7 | 161.3 | -175.8 | -5.6 | 118.7 | | |
| 77 | R | 49.5 | Very low | 46.7 | Very low | 252 Ų | 252 | 160.3 Ų | 160.3 | 95% | 0.951 | 81% | 0.811 | S | S | * | * | | | trans | -129.1 | 129.5 | 140.4 | -72.8 | -175.7 | 76.3 | -168.3 | 3.6 | 110.2 | | |
| 78 | Q | 54.1 | Low | 46.9 | Very low | 159 Ų | 159 | 160.8 Ų | 160.8 | 74% | 0.743 | 82% | 0.816 | S | S | * | * | | | trans | -84.7 | 153.3 | -177 | -60.7 | 179.8 | -16 | 0 | 0 | 111.6 | | |
| 79 | K | 50.4 | Low | 47.5 | Very low | 185 Ų | 185 | 157.8 Ų | 157.8 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | | | trans | 80.1 | 101.6 | 153.5 | -65.7 | 167 | -175.3 | -175.2 | 0 | 119.1 | | |
| 80 | K | 52.4 | Low | 47.3 | Very low | 208 Ų | 208 | 155.7 Ų | 155.7 | 90% | 0.904 | 81% | 0.813 | S | S | * | * | | | | -151.8 | 110.7 | 111.4 | -144.7 | -179.6 | -175.6 | -171.6 | 0 | 109.4 | R82 | K80-R82 PolarHBondContact O-N 2.94Š|
| 81 | I | 55.5 | Low | 47.4 | Very low | 166 Ų | 166 | 157.5 Ų | 157.5 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 122.2 | 168.7 | -67.9 | 161.5 | 0 | 0 | 0 | 106.2 | | |
| 82 | R | 59 | Low | 47.5 | Very low | 234 Ų | 234 | 155.7 Ų | 155.7 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -95.5 | 123.7 | 169.5 | -161.3 | 177.9 | -166.2 | 176.3 | 2.8 | 106.8 | K80 | K80-R82 PolarHBondContact O-N 2.94Š|
| 83 | P | 59.4 | Low | 47.5 | Very low | 103 Ų | 103 | 159.6 Ų | 159.6 | 67% | 0.669 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 148.1 | 173.8 | 27.3 | -30.9 | 0 | 0 | 0 | 110.4 | | |
| 84 | P | 54.3 | Low | 47.5 | Very low | 112 Ų | 112 | 165.6 Ų | 165.6 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 139.9 | 170.5 | -12.4 | 27.1 | 0 | 0 | 0 | 110.4 | E86 | P84-E86 PolarHBondContact O-N 2.98Š|
| 85 | P | 53.8 | Low | 47.6 | Very low | 133 Ų | 133 | 166.9 Ų | 166.9 | 86% | 0.864 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 126.2 | 167.3 | 26.4 | -30 | 0 | 0 | 0 | 109.6 | | |
| 86 | E | 46.9 | Very low | 47.3 | Very low | 183 Ų | 183 | 166.8 Ų | 166.8 | 86% | 0.855 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 156.6 | -176.9 | -63.7 | -178.9 | 159.7 | 0 | 0 | 112.3 | P84 E88 | P84-E86 PolarHBondContact O-N 2.98Å; E86-E88 PolarHBondContact O-N 3.32Å |
| 87 | L | 39.6 | Very low | 46.9 | Very low | 160 Ų | 160 | 161 Ų | 161 | 84% | 0.838 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 124.1 | 177.8 | -64 | 154.1 | 0 | 0 | 0 | 111.7 | T89 | L87-T89 VanDerWaalsContact C-N 3.28Å; L87-T89 PolarHBondContact O-N 3.44Å |
| 88 | E | 38.5 | Very low | 47 | Very low | 197 Ų | 197 | 155.1 Ų | 155.1 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | | | trans | -79.1 | 77.9 | 167 | -65.6 | -164 | 138.7 | 0 | 0 | 110.2 | E86 | E86-E88 PolarHBondContact O-N 3.32Š|
| 89 | T | 43.5 | Very low | 46.2 | Very low | 128 Ų | 128 | 152.5 Ų | 152.5 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | | | trans | -101.2 | 96.1 | 154.8 | 54 | 0 | 0 | 0 | 0 | 107.9 | L87 | L87-T89 VanDerWaalsContact C-N 3.28Å; L87-T89 PolarHBondContact O-N 3.44Å |
| 90 | S | 36.7 | Very low | 45.8 | Very low | 102 Ų | 102 | 150.8 Ų | 150.8 | 71% | 0.713 | 82% | 0.815 | S | S | * | * | | | trans | -111.2 | 79.6 | 164.1 | 54.7 | 0 | 0 | 0 | 0 | 109.5 | T92 | S90-T92 PolarHBondContact O-N 3.21Å; S90-T92 VanDerWaalsContact O-N 3.17Å |
| 91 | L | 42.7 | Very low | 45.6 | Very low | 162 Ų | 162 | 148.8 Ų | 148.8 | 85% | 0.848 | 81% | 0.813 | S | S | * | * | | | trans | -65.6 | 100.6 | 154.1 | 179.4 | 73.9 | 0 | 0 | 0 | 106.5 | | |
| 92 | T | 38.9 | Very low | 44.8 | Very low | 127 Ų | 127 | 150.1 Ų | 150.1 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | | | trans | -88.3 | 109.5 | 169.3 | 37.9 | 0 | 0 | 0 | 0 | 108.8 | S90 | S90-T92 PolarHBondContact O-N 3.21Å; S90-T92 VanDerWaalsContact O-N 3.17Å |
| 93 | E | 40.7 | Very low | 43.9 | Very low | 177 Ų | 177 | 145.3 Ų | 145.3 | 83% | 0.827 | 80% | 0.799 | S | S | * | * | | | trans | -59.2 | 136.2 | 167.2 | -67.2 | 175.9 | 111.7 | 0 | 0 | 110.9 | | |
| 94 | R | 41.3 | Very low | 43.2 | Very low | 245 Ų | 245 | 147.5 Ų | 147.5 | 93% | 0.925 | 80% | 0.8 | S | S | * | * | | | trans | -139 | 127.3 | 147.9 | -104.5 | -168.4 | 179.6 | 156.3 | 1.7 | 109.5 | | |
| 95 | P | 45.8 | Very low | 42.7 | Very low | 124 Ų | 124 | 150 Ų | 150 | 81% | 0.805 | 81% | 0.808 | S | S | * | * | | | trans | -96.6 | 137.2 | 173.7 | 34.9 | -28 | 0 | 0 | 0 | 111.1 | | |
| 96 | S | 38.4 | Very low | 41.9 | Very low | 112 Ų | 112 | 147.5 Ų | 147.5 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | | | trans | -166.1 | 89.4 | 153.7 | 177.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 97 | S | 44.5 | Very low | 41.7 | Very low | 113 Ų | 113 | 146.7 Ų | 146.7 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | | | trans | 50.1 | 141.5 | 140.4 | -37.1 | 0 | 0 | 0 | 0 | 123.3 | | |
| 98 | P | 50.6 | Low | 41.6 | Very low | 127 Ų | 127 | 146.6 Ų | 146.6 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | | | trans | -95.3 | 156.4 | -172.2 | 39.2 | -33.4 | 0 | 0 | 0 | 113.5 | | |
| 99 | S | 36.9 | Very low | 41.8 | Very low | 104 Ų | 104 | 141.3 Ų | 141.3 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | trans | -159.7 | 125.1 | 161.8 | -165 | 0 | 0 | 0 | 0 | 114.3 | | |
| 100 | L | 41.6 | Very low | 41.3 | Very low | 150 Ų | 150 | 142.8 Ų | 142.8 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | trans | 71.4 | 95.3 | 146 | -71.3 | 168.7 | 0 | 0 | 0 | 120.5 | | |
| 101 | L | 49.6 | Very low | 41.8 | Very low | 166 Ų | 166 | 142.8 Ų | 142.8 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | | | | 5.5 | 114.2 | 125.4 | -57.8 | 176.9 | 0 | 0 | 0 | 116 | | |
| 102 | R | 37.7 | Very low | 41.1 | Very low | 193 Ų | 193 | 145.9 Ų | 145.9 | 73% | 0.728 | 79% | 0.792 | S | S | * | * | | | trans | -138.1 | 101.7 | 147 | -169.1 | 169.6 | 171.4 | -145.1 | -12.3 | 110.6 | E104 | R102-E104 IonicContact CZ-OE1 3.69Å; R102-E104 IonicContact CZ-OE2 3.82Å; R102-E104 IonicContact NE-OE2 3.99Å; R102-E104 VanDerWaalsContact NH2-CD 3.34Å; R102-E104 IonicContact NH2-OE1 3.04Å; R102-E104 PolarHBondContact NH2-OE1 3.18Å; R102-E104 IonicContact NH2-OE2 2.92Å; R102-E104 PolarHBondContact NH2-OE2 2.88Å |
| 103 | N | 40.7 | Very low | 41.3 | Very low | 134 Ų | 134 | 148.1 Ų | 148.1 | 72% | 0.717 | 79% | 0.794 | S | S | * | * | | | trans | -53.3 | 139.1 | 153 | 51.2 | -22.8 | 0 | 0 | 0 | 112.6 | | |
| 104 | E | 44.7 | Very low | 41.2 | Very low | 149 Ų | 149 | 148.4 Ų | 148.4 | 70% | 0.696 | 80% | 0.795 | S | S | * | * | | | trans | -165.8 | 118.1 | 131.4 | 58.3 | -156.2 | 171.4 | 0 | 0 | 110.7 | R102 | R102-E104 IonicContact CZ-OE1 3.69Å; R102-E104 IonicContact CZ-OE2 3.82Å; R102-E104 IonicContact NE-OE2 3.99Å; R102-E104 VanDerWaalsContact NH2-CD 3.34Å; R102-E104 IonicContact NH2-OE1 3.04Å; R102-E104 PolarHBondContact NH2-OE1 3.18Å; R102-E104 IonicContact NH2-OE2 2.92Å; R102-E104 PolarHBondContact NH2-OE2 2.88Å |
| 105 | N | 43.2 | Very low | 41.5 | Very low | 165 Ų | 165 | 140.9 Ų | 140.9 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | | | trans | -68.7 | 142.9 | 166.4 | -67.6 | 29.9 | 0 | 0 | 0 | 109.4 | | |
| 106 | G | 37.1 | Very low | 41.2 | Very low | 80 Ų | 80 | 141.4 Ų | 141.4 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | | | trans | -144.2 | 79.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 107 | I | 43.5 | Very low | 42 | Very low | 165 Ų | 165 | 143.1 Ų | 143.1 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | | | trans | -74.8 | 121.9 | 159.5 | 46.9 | 137.3 | 0 | 0 | 0 | 107.5 | | |
| 108 | D | 36.5 | Very low | 42.2 | Very low | 158 Ų | 158 | 143.3 Ų | 143.3 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | | | trans | -120.2 | 113.7 | 163.6 | -170 | 30.8 | 0 | 0 | 0 | 108.3 | | |
| 109 | A | 43 | Very low | 41.9 | Very low | 87 Ų | 87 | 146.2 Ų | 146.2 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | | | trans | -119.4 | 118.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 105.6 | | |
| 110 | E | 34 | Very low | 42.8 | Very low | 158 Ų | 158 | 146.7 Ų | 146.7 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | | | trans | -120.6 | 116 | 169.7 | -138.1 | -72.3 | 156.5 | 0 | 0 | 108.1 | | |
| 111 | P | 45.7 | Very low | 43.1 | Very low | 103 Ų | 103 | 151.1 Ų | 151.1 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | | | trans | -102.2 | 136.4 | 174.7 | 35.1 | -24.7 | 0 | 0 | 0 | 110.2 | | |
| 112 | R | 28.8 | Very low | 43.6 | Very low | 227 Ų | 227 | 154.4 Ų | 154.4 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | | | trans | -132.5 | 106.4 | 162.4 | -157.2 | 169.6 | -179.1 | -147.1 | -4.9 | 113 | | |
| 113 | E | 42.1 | Very low | 44.5 | Very low | 174 Ų | 174 | 155.2 Ų | 155.2 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | | | trans | -59.6 | 139.9 | 167.4 | -49.6 | 178.7 | 161.3 | 0 | 0 | 111.1 | | |
| 114 | E | 40 | Very low | 45.3 | Very low | 183 Ų | 183 | 153.9 Ų | 153.9 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | | | trans | -158.1 | 114.8 | 132.3 | -136.9 | 167.2 | 167.8 | 0 | 0 | 111 | | |
| 115 | A | 46.4 | Very low | 46 | Very low | 87 Ų | 87 | 156.2 Ų | 156.2 | 72% | 0.719 | 82% | 0.815 | S | S | * | * | | | trans | -70.6 | 162.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 116 | V | 40.3 | Very low | 46.5 | Very low | 134 Ų | 134 | 158.1 Ų | 158.1 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | | | | 164.8 | 120.5 | 125.2 | 161 | 0 | 0 | 0 | 0 | 109.7 | | |
| 117 | I | 56 | Low | 47.1 | Very low | 149 Ų | 149 | 160.5 Ų | 160.5 | 76% | 0.764 | 81% | 0.814 | S | S | * | * | | | trans | -87.6 | 144.9 | 172.2 | -51.3 | 161.3 | 0 | 0 | 0 | 107.8 | | |
| 118 | P | 46.9 | Very low | 47.6 | Very low | 117 Ų | 117 | 160.9 Ų | 160.9 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | | | | -144.5 | 133.5 | 118.9 | 30.7 | -12.8 | 0 | 0 | 0 | 114.2 | | |
| 119 | K | 45.1 | Very low | 48.2 | Very low | 187 Ų | 187 | 159.1 Ų | 159.1 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | | | trans | -78.4 | 153.9 | 154.8 | -68 | -179.3 | 176.4 | 175.1 | 0 | 107.5 | | |
| 120 | P | 56.7 | Low | 48.5 | Very low | 115 Ų | 115 | 159.5 Ų | 159.5 | 75% | 0.747 | 81% | 0.813 | S | S | * | * | | | | -164.4 | 171 | 73 | 40.6 | -16.6 | 0 | 0 | 0 | 120 | | |
| 121 | R | 47.9 | Very low | 49.5 | Very low | 243 Ų | 243 | 160.2 Ų | 160.2 | 92% | 0.917 | 82% | 0.816 | S | S | * | * | | | trans | 113.3 | 132.8 | 144 | -59.6 | -176.4 | 82.7 | 172.8 | 2.8 | 119.4 | | |
| 122 | R | 58.7 | Low | 50 | Low | 234 Ų | 234 | 161.3 Ų | 161.3 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | | | trans | -76.6 | 145.3 | -172.4 | -60.5 | 158 | 72.9 | 174.3 | 3.8 | 113.1 | | |
| 123 | K | 58.2 | Low | 51 | Low | 211 Ų | 211 | 159.6 Ų | 159.6 | 92% | 0.917 | 83% | 0.825 | S | S | * | * | | | trans | -148.9 | 126.2 | 132.6 | -73.9 | -63.3 | 179.3 | 164.1 | 0 | 109.3 | | |
| 124 | A | 57 | Low | 51.1 | Low | 106 Ų | 106 | 161.2 Ų | 161.2 | 88% | 0.876 | 83% | 0.825 | S | S | * | * | | | trans | -80 | 138.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 125 | K | 58.6 | Low | 51.7 | Low | 198 Ų | 198 | 155.6 Ų | 155.6 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | | | trans | -141 | 120.3 | 148 | -159.7 | 172.8 | -178.3 | -176.8 | 0 | 108.6 | | |
| 126 | K | 54.3 | Low | 52.5 | Low | 205 Ų | 205 | 156 Ų | 156 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | | | trans | -73.7 | 119.8 | 175.1 | -177 | 179.6 | -178.9 | -178.3 | 0 | 107.9 | | |
| 127 | T | 50.4 | Low | 53.6 | Low | 129 Ų | 129 | 157.5 Ų | 157.5 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | | | trans | -132.3 | 139.1 | 157 | -56.6 | 0 | 0 | 0 | 0 | 107.5 | | |
| 128 | Q | 53.1 | Low | 53.7 | Low | 174 Ų | 174 | 158.1 Ų | 158.1 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | | | trans | -57.9 | 168.4 | -167.1 | -105.2 | -162.4 | 5.3 | 0 | 0 | 116.5 | | |
| 129 | P | 49.2 | Very low | 54.3 | Low | 120 Ų | 120 | 156.2 Ų | 156.2 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | | | trans | -79.6 | 135.2 | -169.6 | 33.7 | -32.3 | 0 | 0 | 0 | 111.8 | | |
| 130 | A | 49.1 | Very low | 54.9 | Low | 96 Ų | 96 | 152.7 Ų | 152.7 | 79% | 0.793 | 81% | 0.805 | S | S | * | * | | | trans | -122.7 | 113.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 131 | E | 54.4 | Low | 54.9 | Low | 173 Ų | 173 | 154.3 Ų | 154.3 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | | | trans | 40.5 | 125.9 | 150.2 | -147.4 | 167.2 | -179 | 0 | 0 | 119.4 | Q133 | E131-Q133 PolarHBondContact O-N 2.96Š|
| 132 | P | 57 | Low | 55.5 | Low | 125 Ų | 125 | 149 Ų | 149 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | | | trans | -63.4 | 112.2 | 179.9 | 27.5 | -33.3 | 0 | 0 | 0 | 110.6 | Y134 | P132-Y134 PolarHBondContact O-N 3.24Å; P132-Y134 VanDerWaalsContact O-N 3.11Å |
| 133 | Q | 50 | Low | 55.6 | Low | 192 Ų | 192 | 145.9 Ų | 145.9 | 90% | 0.897 | 79% | 0.788 | S | S | * | * | | | trans | -60.9 | 111.3 | 165.2 | -68.9 | 177.6 | -52.2 | 0 | 0 | 108 | E131 A135 | E131-Q133 PolarHBondContact O-N 2.96Å; Q133-A135 PolarHBondContact O-N 3.22Å |
| 134 | Y | 43.2 | Very low | 55.7 | Low | 207 Ų | 207 | 142.5 Ų | 142.5 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | | | trans | -67.4 | 102.3 | 168.2 | -173.8 | -100.3 | 0 | 0 | 0 | 107.7 | P132 S136 | P132-Y134 PolarHBondContact O-N 3.24Å; P132-Y134 VanDerWaalsContact O-N 3.11Å; Y134-S136 PolarHBondContact O-N 3.16Å |
| 135 | A | 54 | Low | 56.2 | Low | 66 Ų | 66 | 142.4 Ų | 142.4 | 55% | 0.545 | 76% | 0.763 | S | S | . | * | | | trans | -64.8 | 83.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q133 E137 | Q133-A135 PolarHBondContact O-N 3.22Å; A135-E137 HydrophobicContact CB-CG 4.01Å; A135-E137 WeakPolarHBondContact CB-OE1 3.42Å; A135-E137 PolarHBondContact O-N 3.41Å |
| 136 | S | 62.9 | Low | 56.1 | Low | 94 Ų | 94 | 140.8 Ų | 140.8 | 66% | 0.657 | 76% | 0.763 | S | S | * | * | | | trans | -76.1 | 67.9 | 165.2 | -172.3 | 0 | 0 | 0 | 0 | 108.5 | Y134 L138 | Y134-S136 PolarHBondContact O-N 3.16Å; S136-L138 VanDerWaalsContact C-N 3.31Å; S136-L138 PolarHBondContact O-N 2.98Å |
| 137 | E | 62.3 | Low | 56.4 | Low | 167 Ų | 167 | 137.5 Ų | 137.5 | 78% | 0.78 | 76% | 0.76 | S | S | * | * | | | trans | -95.4 | 38.3 | -178.5 | -62.3 | -178.8 | -146.3 | 0 | 0 | 112.3 | A135 | A135-E137 HydrophobicContact CB-CG 4.01Å; A135-E137 WeakPolarHBondContact CB-OE1 3.42Å; A135-E137 PolarHBondContact O-N 3.41Å |
| 138 | L | 58.6 | Low | 56.4 | Low | 162 Ų | 162 | 138.1 Ų | 138.1 | 85% | 0.848 | 76% | 0.759 | S | S | * | * | | | trans | -111.7 | 79.6 | 160 | -68.1 | 175.8 | 0 | 0 | 0 | 106.9 | S136 V140 | S136-L138 VanDerWaalsContact C-N 3.31Å; S136-L138 PolarHBondContact O-N 2.98Å; L138-V140 PolarHBondContact O-N 3.02Å |
| 139 | G | 59.4 | Low | 56.4 | Low | 76 Ų | 76 | 137.9 Ų | 137.9 | 78% | 0.784 | 76% | 0.758 | S | S | * | * | | | trans | -62.9 | 119.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 140 | V | 57.9 | Low | 56.6 | Low | 113 Ų | 113 | 140.8 Ų | 140.8 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | | | trans | -109.4 | 115.1 | 151.1 | -68.3 | 0 | 0 | 0 | 0 | 104.4 | L138 D142 | L138-V140 PolarHBondContact O-N 3.02Å; V140-D142 PolarHBondContact O-N 2.82Å |
| 141 | E | 56.6 | Low | 56.5 | Low | 150 Ų | 150 | 140.8 Ų | 140.8 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | | | trans | -59.7 | 133.8 | 169.6 | -97.5 | 179.8 | 112.3 | 0 | 0 | 107.3 | E143 D144 | E141-E143 PolarHBondContact O-N 3.16Å; E141-D144 PolarHBondContact O-N 3.45Å |
| 142 | D | 61.5 | Low | 56.5 | Low | 131 Ų | 131 | 139 Ų | 139 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56 | -8.4 | 176.7 | 22.1 | -67.5 | 0 | 0 | 0 | 113.7 | V140 | V140-D142 PolarHBondContact O-N 2.82Š|
| 143 | E | 60.3 | Low | 56.1 | Low | 168 Ų | 168 | 139.4 Ų | 139.4 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -16.1 | 174.7 | -63.2 | -81.4 | 112.1 | 0 | 0 | 114.4 | E141 | E141-E143 PolarHBondContact O-N 3.16Š|
| 144 | D | 60.3 | Low | 56.4 | Low | 141 Ų | 141 | 137.8 Ų | 137.8 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -90.1 | -4.6 | 173.6 | -83.2 | -29.9 | 0 | 0 | 0 | 112.9 | E141 L146 | E141-D144 PolarHBondContact O-N 3.45Å; D144-L146 PolarHBondContact O-N 3.4Å; D144-L146 VanDerWaalsContact O-N 3.15Å |
| 145 | I | 66.7 | Low | 57.1 | Low | 103 Ų | 103 | 136.9 Ų | 136.9 | 53% | 0.528 | 75% | 0.746 | S | S | . | * | | | trans | -84.1 | 91.6 | 176.4 | -52.2 | 178.4 | 0 | 0 | 0 | 107.6 | T147 | I145-T147 VanDerWaalsContact C-N 3.28Å; I145-T147 HydrophobicContact CG2-CG2 4.44Å; I145-T147 PolarHBondContact O-N 3.31Å |
| 146 | L | 57.7 | Low | 57.1 | Low | 164 Ų | 164 | 139.2 Ų | 139.2 | 86% | 0.859 | 75% | 0.746 | S | S | * | * | | | trans | -61.1 | 95.3 | 161.6 | -66.3 | 170.9 | 0 | 0 | 0 | 107.9 | D144 D148 | D144-L146 PolarHBondContact O-N 3.4Å; D144-L146 VanDerWaalsContact O-N 3.15Å; L146-D148 PolarHBondContact O-N 3.43Å |
| 147 | T | 60.3 | Low | 57.4 | Low | 136 Ų | 136 | 138.8 Ų | 138.8 | 83% | 0.834 | 74% | 0.742 | S | S | * | * | | | trans | -68.7 | 71.7 | 158.4 | 37.8 | 0 | 0 | 0 | 0 | 108.1 | I145 | I145-T147 VanDerWaalsContact C-N 3.28Å; I145-T147 HydrophobicContact CG2-CG2 4.44Å; I145-T147 PolarHBondContact O-N 3.31Å |
| 148 | D | 49.5 | Very low | 57.7 | Low | 142 Ų | 142 | 141.4 Ų | 141.4 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | | | trans | -80 | 135.1 | 162.6 | -160.3 | 19.1 | 0 | 0 | 0 | 107.6 | L146 Q150 | L146-D148 PolarHBondContact O-N 3.43Å; D148-Q150 PolarHBondContact O-N 2.96Å |
| 149 | E | 53.7 | Low | 58.3 | Low | 170 Ų | 170 | 142.1 Ų | 142.1 | 79% | 0.794 | 74% | 0.742 | S | S | * | * | | | trans | -49 | 125.3 | -177.8 | -79.2 | -177.1 | 115 | 0 | 0 | 111.4 | S151 | E149-S151 PolarHBondContact O-N 2.7Å; E149-S151 VanDerWaalsContact O-N 3.1Å |
| 150 | Q | 54 | Low | 59 | Low | 180 Ų | 180 | 144 Ų | 144 | 84% | 0.841 | 74% | 0.738 | S | S | * | * | | | trans | 40 | 67.2 | 137.3 | -153.2 | 175.6 | 35.1 | 0 | 0 | 116 | D148 | D148-Q150 PolarHBondContact O-N 2.96Š|
| 151 | S | 47.2 | Very low | 59.8 | Low | 97 Ų | 97 | 141.3 Ų | 141.3 | 68% | 0.678 | 73% | 0.728 | S | S | * | * | | | trans | -110.6 | 100.3 | 152.1 | 90.2 | 0 | 0 | 0 | 0 | 108.6 | E149 L153 | E149-S151 PolarHBondContact O-N 2.7Å; E149-S151 VanDerWaalsContact O-N 3.1Å; S151-L153 PolarHBondContact O-N 3.48Å |
| 152 | T | 53.4 | Low | 60.3 | Low | 136 Ų | 136 | 140.3 Ų | 140.3 | 83% | 0.834 | 74% | 0.735 | S | S | * | * | | | trans | -67.1 | 73.2 | 163.8 | 49 | 0 | 0 | 0 | 0 | 107.8 | E154 | T152-E154 VanDerWaalsContact C-N 3.32Å; T152-E154 PolarHBondContact O-N 3.37Å |
| 153 | L | 49 | Very low | 60.6 | Low | 133 Ų | 133 | 140.3 Ų | 140.3 | 70% | 0.696 | 74% | 0.739 | S | S | * | * | | | trans | -80 | 93.1 | 173.1 | -136 | 171.6 | 0 | 0 | 0 | 106.3 | S151 H155 | S151-L153 PolarHBondContact O-N 3.48Å; L153-H155 VanDerWaalsContact C-N 3.34Å; L153-H155 PolarHBondContact O-N 3.45Å |
| 154 | E | 55.6 | Low | 61.1 | Low | 157 Ų | 157 | 135.4 Ų | 135.4 | 73% | 0.734 | 73% | 0.734 | S | S | * | * | | | trans | -27.9 | 94.1 | 162.9 | -85.3 | -86.7 | 152.5 | 0 | 0 | 110.8 | T152 H156 | T152-E154 VanDerWaalsContact C-N 3.32Å; T152-E154 PolarHBondContact O-N 3.37Å; E154-H156 PolarHBondContact O-N 3.47Å; E154-H156 PolarHBondContact O-ND1 3.43Å |
| 155 | H | 58.3 | Low | 61.4 | Low | 189 Ų | 189 | 135.2 Ų | 135.2 | 88% | 0.875 | 74% | 0.738 | S | S | * | * | | | trans | -70.3 | 78.2 | 169.4 | -122.3 | -104.1 | 0 | 0 | 0 | 106.3 | L153 S157 | L153-H155 VanDerWaalsContact C-N 3.34Å; L153-H155 PolarHBondContact O-N 3.45Å; H155-S157 PolarHBondContact O-N 3.12Å |
| 156 | H | 53.6 | Low | 61.4 | Low | 115 Ų | 115 | 135.4 Ų | 135.4 | 53% | 0.532 | 75% | 0.748 | S | S | . | * | | | trans | -69.6 | 81.3 | 178 | 55.8 | -73 | 0 | 0 | 0 | 108.4 | E154 R158 | E154-H156 PolarHBondContact O-N 3.47Å; E154-H156 PolarHBondContact O-ND1 3.43Å; H156-R158 PolarHBondContact NE2-NH2 3.01Å; H156-R158 PolarHBondContact O-N 3.2Å |
| 157 | S | 68.8 | Low | 61.9 | Low | 84 Ų | 84 | 135.8 Ų | 135.8 | 59% | 0.587 | 75% | 0.746 | S | S | * | * | | | trans | -56.9 | 109.9 | 165.5 | -178 | 0 | 0 | 0 | 0 | 108 | H155 F159 | H155-S157 PolarHBondContact O-N 3.12Å; S157-F159 PolarHBondContact O-N 2.8Å |
| 158 | R | 70.3 | Confident | 62.1 | Low | 222 Ų | 222 | 135.2 Ų | 135.2 | 84% | 0.838 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -76.1 | 2.4 | -176.5 | -58.4 | -179.8 | -155.7 | -171.3 | 3.3 | 113.2 | H156 | H156-R158 PolarHBondContact NE2-NH2 3.01Å; H156-R158 PolarHBondContact O-N 3.2Å |
| 159 | F | 70.8 | Confident | 62.7 | Low | 177 Ų | 177 | 134.6 Ų | 134.6 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | | | trans | -131.3 | 86.4 | 178.9 | -165.6 | -97.8 | 0 | 0 | 0 | 109.5 | S157 | S157-F159 PolarHBondContact O-N 2.8Š|
| 160 | T | 73.3 | Confident | 63.1 | Low | 116 Ų | 116 | 129.1 Ų | 129.1 | 71% | 0.712 | 73% | 0.734 | S | S | * | * | | | trans | -100.9 | 110.6 | 167.3 | -56.6 | 0 | 0 | 0 | 0 | 106.9 | | |
| 161 | A | 75.1 | Confident | 63.8 | Low | 57 Ų | 57 | 129.6 Ų | 129.6 | 47% | 0.471 | 73% | 0.733 | S | S | . | * | | | trans | -60.1 | 135.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | T163 | A161-T163 VanDerWaalsContact C-N 3.34Å; A161-T163 PolarHBondContact O-N 3.09Å |
| 162 | P | 66.1 | Low | 64.6 | Low | 129 Ų | 129 | 130.7 Ų | 130.7 | 84% | 0.838 | 74% | 0.736 | S | S | * | * | | | trans | -62.3 | 99.8 | 174.2 | -18.5 | 30.4 | 0 | 0 | 0 | 108.4 | G164 | P162-G164 PolarHBondContact O-N 2.81Š|
| 163 | T | 69.6 | Low | 65.1 | Low | 130 Ų | 130 | 133.3 Ų | 133.3 | 80% | 0.798 | 74% | 0.736 | S | S | * | * | | | trans | -74.1 | 74.3 | 168.2 | -48.6 | 0 | 0 | 0 | 0 | 106.5 | A161 V165 | A161-T163 VanDerWaalsContact C-N 3.34Å; A161-T163 PolarHBondContact O-N 3.09Å; T163-V165 PolarHBondContact O-N 3.14Å; T163-V165 VanDerWaalsContact O-N 3.09Å |
| 164 | G | 69.6 | Low | 65.9 | Low | 66 Ų | 66 | 132.1 Ų | 132.1 | 68% | 0.68 | 73% | 0.734 | S | S | * | * | | | trans | -61.9 | 111.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | P162 S166 | P162-G164 PolarHBondContact O-N 2.81Å; G164-S166 PolarHBondContact O-N 2.95Å; G164-S166 VanDerWaalsContact O-N 3.14Å |
| 165 | V | 67.8 | Low | 66.8 | Low | 136 Ų | 136 | 130.1 Ų | 130.1 | 82% | 0.824 | 73% | 0.725 | S | S | * | * | | | trans | -67.1 | 110 | 167.8 | -71.2 | 0 | 0 | 0 | 0 | 107.5 | T163 Q167 | T163-V165 PolarHBondContact O-N 3.14Å; T163-V165 VanDerWaalsContact O-N 3.09Å; V165-Q167 PolarHBondContact O-N 2.93Å; V165-Q167 VanDerWaalsContact O-N 3.11Å |
| 166 | S | 66.8 | Low | 67.3 | Low | 107 Ų | 107 | 131.5 Ų | 131.5 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | | | trans | -62.3 | 114.3 | 166.3 | 57.9 | 0 | 0 | 0 | 0 | 107 | G164 P168 | G164-S166 PolarHBondContact O-N 2.95Å; G164-S166 VanDerWaalsContact O-N 3.14Å; S166-P168 WeakPolarHBondContact O-CD 3.47Å; S166-P168 VanDerWaalsContact O-N 3.16Å |
| 167 | Q | 66.9 | Low | 67.6 | Low | 173 Ų | 173 | 130.6 Ų | 130.6 | 81% | 0.808 | 74% | 0.735 | S | S | * | * | | | trans | -54.8 | 123.1 | 169.1 | -98.9 | -175.3 | -6.2 | 0 | 0 | 107.9 | V165 V169 | V165-Q167 PolarHBondContact O-N 2.93Å; V165-Q167 VanDerWaalsContact O-N 3.11Å; Q167-V169 PolarHBondContact O-N 3.25Å |
| 168 | P | 65.1 | Low | 67.7 | Low | 123 Ų | 123 | 134.1 Ų | 134.1 | 80% | 0.799 | 74% | 0.735 | S | S | * | * | | | trans | -65 | 108.1 | 168.8 | 26.3 | -30.5 | 0 | 0 | 0 | 106.7 | S166 G170 | S166-P168 WeakPolarHBondContact O-CD 3.47Å; S166-P168 VanDerWaalsContact O-N 3.16Å; P168-G170 PolarHBondContact O-N 2.86Å |
| 169 | V | 61.2 | Low | 67.8 | Low | 130 Ų | 130 | 134 Ų | 134 | 79% | 0.788 | 74% | 0.735 | S | S | * | * | | | trans | -59.1 | 110 | 171.7 | -179.8 | 0 | 0 | 0 | 0 | 106.1 | Q167 | Q167-V169 PolarHBondContact O-N 3.25Š|
| 170 | G | 62.9 | Low | 67.5 | Low | 54 Ų | 54 | 131.9 Ų | 131.9 | 56% | 0.557 | 73% | 0.725 | S | S | * | * | | | trans | -50.8 | 146.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | P168 V172 | P168-G170 PolarHBondContact O-N 2.86Å; G170-V172 PolarHBondContact O-N 3.16Å |
| 171 | K | 68.1 | Low | 67.3 | Low | 190 Ų | 190 | 132.3 Ų | 132.3 | 83% | 0.826 | 72% | 0.719 | S | S | * | * | | | trans | -52.3 | 106.5 | -179.4 | -65.1 | -174 | -179.3 | -177.4 | 0 | 109.7 | F173 | K171-F173 PolarHBondContact O-N 3.11Š|
| 172 | V | 64.6 | Low | 66.6 | Low | 120 Ų | 120 | 133 Ų | 133 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | | | trans | -74.9 | 109.1 | 175 | -73 | 0 | 0 | 0 | 0 | 108.2 | G170 V174 | G170-V172 PolarHBondContact O-N 3.16Å; V172-V174 PolarHBondContact O-N 2.77Å |
| 173 | F | 63.2 | Low | 66.4 | Low | 191 Ų | 191 | 129.5 Ų | 129.5 | 84% | 0.838 | 71% | 0.707 | S | S | * | * | | | trans | -70.9 | 112.6 | 171.4 | -69.3 | -87.9 | 0 | 0 | 0 | 108.1 | K171 E175 | K171-F173 PolarHBondContact O-N 3.11Å; F173-E175 PolarHBondContact O-N 3.08Å; F173-E175 VanDerWaalsContact O-N 3.16Å |
| 174 | V | 66.3 | Low | 66 | Low | 108 Ų | 108 | 127 Ų | 127 | 66% | 0.655 | 69% | 0.689 | S | S | * | * | | | trans | -77.6 | 100.7 | 171.1 | -174.9 | 0 | 0 | 0 | 0 | 107.1 | V172 K176 | V172-V174 PolarHBondContact O-N 2.77Å; V174-K176 PolarHBondContact O-N 3.33Å |
| 175 | E | 74.3 | Confident | 65.5 | Low | 116 Ų | 116 | 131.4 Ų | 131.4 | 54% | 0.542 | 69% | 0.685 | S | S | . | * | | | trans | -58.9 | 116.8 | 172.7 | -168.2 | -163.9 | 158.5 | 0 | 0 | 109 | F173 S177 R178 | F173-E175 PolarHBondContact O-N 3.08Å; F173-E175 VanDerWaalsContact O-N 3.16Å; E175-S177 WeakPolarHBondContact CG-OG 3.17Å; E175-S177 PolarHBondContact O-N 3.37Å; E175-S177 PolarHBondContact OE1-OG 2.9Å; E175-R178 HydrophobicContact CB-CB 4.01Å; E175-R178 HydrophobicContact CG-CB 4.5Å; E175-R178 PolarHBondContact O-N 3.49Å |
| 176 | K | 69.1 | Low | 65.1 | Low | 218 Ų | 218 | 127.6 Ų | 127.6 | 95% | 0.948 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | -17.3 | -174.3 | -174.3 | -177.4 | 167.3 | -179.4 | 0 | 113.9 | V174 | V174-K176 PolarHBondContact O-N 3.33Š|
| 177 | S | 60.3 | Low | 64.8 | Low | 96 Ų | 96 | 128.7 Ų | 128.7 | 67% | 0.671 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -20.5 | 175 | 25.7 | 0 | 0 | 0 | 0 | 114.2 | E175 | E175-S177 WeakPolarHBondContact CG-OG 3.17Å; E175-S177 PolarHBondContact O-N 3.37Å; E175-S177 PolarHBondContact OE1-OG 2.9Å |
| 178 | R | 70.7 | Confident | 64.5 | Low | 157 Ų | 157 | 126.3 Ų | 126.3 | 59% | 0.592 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -99.6 | 100.6 | -177.4 | -161.7 | 174.1 | -165.9 | -106.4 | 3.1 | 108.5 | E175 F180 | E175-R178 HydrophobicContact CB-CB 4.01Å; E175-R178 HydrophobicContact CG-CB 4.5Å; E175-R178 PolarHBondContact O-N 3.49Å; R178-F180 PolarHBondContact O-N 3.49Å |
| 179 | R | 71.3 | Confident | 64.2 | Low | 221 Ų | 221 | 125.7 Ų | 125.7 | 83% | 0.834 | 64% | 0.639 | S | S | * | * | | | trans | -54.8 | 128.8 | 171.9 | -61.7 | 178.7 | -174 | -158.8 | 0.3 | 107.7 | Q181 | R179-Q181 VanDerWaalsContact C-N 3.35Å; R179-Q181 PolarHBondContact O-N 3.07Å |
| 180 | F | 65.4 | Low | 64.1 | Low | 131 Ų | 131 | 125.8 Ų | 125.8 | 58% | 0.575 | 63% | 0.628 | S | S | * | * | | | trans | -57.3 | 98.7 | 174.8 | -175.3 | -98.3 | 0 | 0 | 0 | 108.3 | R178 A182 | R178-F180 PolarHBondContact O-N 3.49Å; F180-A182 PolarHBondContact O-N 2.64Å |
| 181 | Q | 69.6 | Low | 63.9 | Low | 125 Ų | 125 | 126.5 Ų | 126.5 | 58% | 0.584 | 62% | 0.622 | S | S | * | * | | | trans | -76.9 | 114.5 | 178.7 | -68.6 | -81.8 | 29.5 | 0 | 0 | 106.6 | R179 A183 D184 | R179-Q181 VanDerWaalsContact C-N 3.35Å; R179-Q181 PolarHBondContact O-N 3.07Å; Q181-A183 HydrophobicContact CB-CB 4.44Å; Q181-A183 PolarHBondContact O-N 2.95Å; Q181-D184 VanDerWaalsContact O-CB 3.26Å; Q181-D184 WeakPolarHBondContact O-CB 3.33Å; Q181-D184 PolarHBondContact O-N 3.02Å |
| 182 | A | 59.5 | Low | 63.3 | Low | 72 Ų | 72 | 121.4 Ų | 121.4 | 60% | 0.595 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | -17 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | F180 D184 R185 | F180-A182 PolarHBondContact O-N 2.64Å; A182-D184 PolarHBondContact O-N 3.13Å; A182-R185 WeakPolarHBondContact O-CB 3.21Å; A182-R185 PolarHBondContact O-N 2.88Å |
| 183 | A | 61.6 | Low | 63 | Low | 56 Ų | 56 | 122.3 Ų | 122.3 | 46% | 0.463 | 60% | 0.603 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.7 | -28.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q181 R185 S186 | Q181-A183 HydrophobicContact CB-CB 4.44Å; Q181-A183 PolarHBondContact O-N 2.95Å; A183-R185 PolarHBondContact O-N 3.3Å; A183-S186 WeakPolarHBondContact O-CB 3.45Å; A183-S186 PolarHBondContact O-N 3.5Å; A183-S186 PolarHBondContact O-OG 3.39Å |
| 184 | D | 60.8 | Low | 62.8 | Low | 78 Ų | 78 | 117.9 Ų | 117.9 | 42% | 0.417 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -61.7 | -28.4 | 177.5 | -160.9 | -1.4 | 0 | 0 | 0 | 111.5 | Q181 A182 S186 | Q181-D184 VanDerWaalsContact O-CB 3.26Å; Q181-D184 WeakPolarHBondContact O-CB 3.33Å; Q181-D184 PolarHBondContact O-N 3.02Å; A182-D184 PolarHBondContact O-N 3.13Å; D184-S186 VanDerWaalsContact C-N 3.3Å; D184-S186 PolarHBondContact O-N 2.92Å |
| 185 | R | 59.6 | Low | 62.3 | Low | 158 Ų | 158 | 117 Ų | 117 | 60% | 0.596 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -70.2 | -26 | 174.7 | -66.5 | -175.3 | 165.9 | 158.4 | -2.1 | 113.1 | A182 A183 I189 | A182-R185 WeakPolarHBondContact O-CB 3.21Å; A182-R185 PolarHBondContact O-N 2.88Å; A183-R185 PolarHBondContact O-N 3.3Å; R185-I189 WeakPolarHBondContact O-CD1 3.3Å; R185-I189 WeakPolarHBondContact O-CG1 3.26Å; R185-I189 PolarHBondContact O-N 2.8Å; R185-I189 VanDerWaalsContact O-N 3.16Å |
| 186 | S | 60.3 | Low | 61.4 | Low | 55 Ų | 55 | 117.5 Ų | 117.5 | 39% | 0.385 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -76.5 | -28.1 | -179.1 | 73.7 | 0 | 0 | 0 | 0 | 112.8 | A183 D184 K190 | A183-S186 WeakPolarHBondContact O-CB 3.45Å; A183-S186 PolarHBondContact O-N 3.5Å; A183-S186 PolarHBondContact O-OG 3.39Å; D184-S186 VanDerWaalsContact C-N 3.3Å; D184-S186 PolarHBondContact O-N 2.92Å; S186-K190 VanDerWaalsContact O-CG 3.3Å; S186-K190 WeakPolarHBondContact O-CG 3.36Å; S186-K190 PolarHBondContact O-N 3.2Å; S186-K190 VanDerWaalsContact O-N 3.16Å |
| 187 | E | 59.6 | Low | 60.8 | Low | 130 Ų | 130 | 113.1 Ų | 113.1 | 61% | 0.607 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -73.4 | -37.3 | 175.9 | -60.7 | -176.5 | -164.8 | 0 | 0 | 110.7 | K190 T191 | E187-K190 PolarHBondContact O-N 3.48Å; E187-T191 PolarHBondContact O-N 3.37Å |
| 188 | L | 60.7 | Low | 60.6 | Low | 123 Ų | 123 | 112.5 Ų | 112.5 | 64% | 0.644 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -68.8 | -36.1 | 174.7 | -169.3 | 63.8 | 0 | 0 | 0 | 112.9 | T191 T192 | L188-T191 PolarHBondContact O-N 3.28Å; L188-T191 PolarHBondContact O-OG1 3.49Å; L188-T191 VanDerWaalsContact O-OG1 3.08Å; L188-T192 PolarHBondContact O-N 3.04Å |
| 189 | I | 60 | Low | 60.3 | Low | 111 Ų | 111 | 110.8 Ų | 110.8 | 57% | 0.569 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -70.1 | -36.7 | 176.5 | -66.7 | 162.9 | 0 | 0 | 0 | 111 | R185 T191 T192 E193 | R185-I189 WeakPolarHBondContact O-CD1 3.3Å; R185-I189 WeakPolarHBondContact O-CG1 3.26Å; R185-I189 PolarHBondContact O-N 2.8Å; R185-I189 VanDerWaalsContact O-N 3.16Å; I189-T191 VanDerWaalsContact C-N 3.31Å; I189-T191 PolarHBondContact O-N 3.19Å; I189-T192 WeakPolarHBondContact O-CG2 3.37Å; I189-T192 PolarHBondContact O-N 3.18Å; I189-E193 PolarHBondContact O-N 3.46Å |
| 190 | K | 58.5 | Low | 59.7 | Low | 131 Ų | 131 | 106.2 Ų | 106.2 | 57% | 0.57 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -61.6 | -40.9 | 175.9 | -77.5 | 170.2 | 178.1 | 178.2 | 0 | 111.4 | S186 E187 T192 E193 N194 | S186-K190 VanDerWaalsContact O-CG 3.3Å; S186-K190 WeakPolarHBondContact O-CG 3.36Å; S186-K190 PolarHBondContact O-N 3.2Å; S186-K190 VanDerWaalsContact O-N 3.16Å; E187-K190 PolarHBondContact O-N 3.48Å; K190-T192 PolarHBondContact O-N 2.85Å; K190-E193 PolarHBondContact O-N 3.29Å; K190-N194 PolarHBondContact O-OD1 3.25Å |
| 191 | T | 57.5 | Low | 59.7 | Low | 69 Ų | 69 | 105.8 Ų | 105.8 | 42% | 0.423 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -73.8 | -25.9 | -178.1 | 58.1 | 0 | 0 | 0 | 0 | 114.2 | E187 L188 I189 N194 I195 | E187-T191 PolarHBondContact O-N 3.37Å; L188-T191 PolarHBondContact O-N 3.28Å; L188-T191 PolarHBondContact O-OG1 3.49Å; L188-T191 VanDerWaalsContact O-OG1 3.08Å; I189-T191 VanDerWaalsContact C-N 3.31Å; I189-T191 PolarHBondContact O-N 3.19Å; T191-N194 WeakPolarHBondContact CA-ND2 3.42Å; T191-N194 PolarHBondContact O-ND2 3.4Å; T191-I195 VanDerWaalsContact O-CD1 3.29Å; T191-I195 WeakPolarHBondContact O-CD1 3.38Å; T191-I195 VanDerWaalsContact O-CG1 3.25Å; T191-I195 WeakPolarHBondContact O-CG1 3.35Å; T191-I195 PolarHBondContact O-N 2.77Å |
| 192 | T | 57.1 | Low | 59.5 | Low | 84 Ų | 84 | 107 Ų | 107 | 52% | 0.515 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -76 | -28.6 | 173.7 | -171.6 | 0 | 0 | 0 | 0 | 113 | L188 I189 K190 I195 D196 | L188-T192 PolarHBondContact O-N 3.04Å; I189-T192 WeakPolarHBondContact O-CG2 3.37Å; I189-T192 PolarHBondContact O-N 3.18Å; K190-T192 PolarHBondContact O-N 2.85Å; T192-I195 PolarHBondContact O-N 2.94Å; T192-D196 PolarHBondContact O-N 3.03Å |
| 193 | E | 58.2 | Low | 60.1 | Low | 138 Ų | 138 | 108.1 Ų | 108.1 | 65% | 0.645 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63.9 | -41.4 | 175.6 | -175.2 | 180 | 176.6 | 0 | 0 | 111.1 | I189 K190 I195 D196 V197 | I189-E193 PolarHBondContact O-N 3.46Å; K190-E193 PolarHBondContact O-N 3.29Å; E193-I195 VanDerWaalsContact C-N 3.34Å; E193-I195 PolarHBondContact O-N 3.39Å; E193-D196 PolarHBondContact O-N 3.15Å; E193-V197 PolarHBondContact O-N 3.34Å |
| 194 | N | 57.5 | Low | 61.1 | Low | 99 Ų | 99 | 110.3 Ų | 110.3 | 53% | 0.529 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -77.5 | -13.7 | 175.5 | 39.2 | -108.9 | 0 | 0 | 0 | 114.9 | K190 T191 S198 | K190-N194 PolarHBondContact O-OD1 3.25Å; T191-N194 WeakPolarHBondContact CA-ND2 3.42Å; T191-N194 PolarHBondContact O-ND2 3.4Å; N194-S198 PolarHBondContact O-OG 2.99Å |
| 195 | I | 57.7 | Low | 62.4 | Low | 88 Ų | 88 | 114.2 Ų | 114.2 | 45% | 0.451 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -79.4 | -32.9 | 171.4 | -69.1 | 162.6 | 0 | 0 | 0 | 111.1 | T191 T192 E193 S198 M199 | T191-I195 VanDerWaalsContact O-CD1 3.29Å; T191-I195 WeakPolarHBondContact O-CD1 3.38Å; T191-I195 VanDerWaalsContact O-CG1 3.25Å; T191-I195 WeakPolarHBondContact O-CG1 3.35Å; T191-I195 PolarHBondContact O-N 2.77Å; T192-I195 PolarHBondContact O-N 2.94Å; E193-I195 VanDerWaalsContact C-N 3.34Å; E193-I195 PolarHBondContact O-N 3.39Å; I195-S198 WeakPolarHBondContact CA-OG 3.43Å; I195-S198 CarbonylContact O-C 3.49Å; I195-S198 PolarHBondContact O-N 3.46Å; I195-S198 PolarHBondContact O-OG 3.48Å; I195-M199 HydrophobicContact CG2-CE 4.28Å; I195-M199 PolarHBondContact O-N 2.9Å |
| 196 | D | 53.6 | Low | 64 | Low | 127 Ų | 127 | 110 Ų | 110 | 68% | 0.679 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -68.4 | -37.7 | 177 | -166.4 | 45 | 0 | 0 | 0 | 112 | T192 E193 S198 M199 | T192-D196 PolarHBondContact O-N 3.03Å; E193-D196 PolarHBondContact O-N 3.15Å; D196-S198 PolarHBondContact O-N 2.8Å; D196-M199 PolarHBondContact O-N 2.79Å |
| 197 | V | 58.2 | Low | 65.7 | Low | 126 Ų | 126 | 113.4 Ų | 113.4 | 76% | 0.764 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | -19.1 | 173.3 | 173.7 | 0 | 0 | 0 | 0 | 112.9 | E193 | E193-V197 PolarHBondContact O-N 3.34Š|
| 198 | S | 55.9 | Low | 67.3 | Low | 84 Ų | 84 | 116.1 Ų | 116.1 | 59% | 0.587 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | 5.8 | -179.9 | 51.7 | 0 | 0 | 0 | 0 | 114.3 | N194 I195 D196 D200 | N194-S198 PolarHBondContact O-OG 2.99Å; I195-S198 WeakPolarHBondContact CA-OG 3.43Å; I195-S198 CarbonylContact O-C 3.49Å; I195-S198 PolarHBondContact O-N 3.46Å; I195-S198 PolarHBondContact O-OG 3.48Å; D196-S198 PolarHBondContact O-N 2.8Å; S198-D200 VanDerWaalsContact C-N 3.32Å; S198-D200 PolarHBondContact O-N 2.77Å |
| 199 | M | 64.6 | Low | 69 | Low | 121 Ų | 121 | 113.6 Ų | 113.6 | 60% | 0.596 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -59.2 | 103.6 | 158.3 | -74.7 | -83.1 | 129 | 0 | 0 | 106.2 | I195 D196 V201 | I195-M199 HydrophobicContact CG2-CE 4.28Å; I195-M199 PolarHBondContact O-N 2.9Å; D196-M199 PolarHBondContact O-N 2.79Å; M199-V201 VanDerWaalsContact C-N 3.34Å; M199-V201 PolarHBondContact O-N 2.95Å |
| 200 | D | 58.1 | Low | 70.7 | Confident | 124 Ų | 124 | 111.6 Ų | 111.6 | 66% | 0.663 | 59% | 0.594 | S | S | * | * | | | trans | -39.5 | 101.9 | 170.3 | 178.6 | 41.8 | 0 | 0 | 0 | 107.4 | S198 K202 | S198-D200 VanDerWaalsContact C-N 3.32Å; S198-D200 PolarHBondContact O-N 2.77Å; D200-K202 PolarHBondContact O-N 3.46Å |
| 201 | V | 64.3 | Low | 72.5 | Confident | 123 Ų | 123 | 108.1 Ų | 108.1 | 75% | 0.745 | 59% | 0.589 | S | S | * | * | | | trans | -69.1 | 82.2 | 176.7 | -179.3 | 0 | 0 | 0 | 0 | 103.6 | M199 P203 | M199-V201 VanDerWaalsContact C-N 3.34Å; M199-V201 PolarHBondContact O-N 2.95Å; V201-P203 WeakPolarHBondContact O-CD 3.37Å |
| 202 | K | 65.7 | Low | 74.4 | Confident | 150 Ų | 150 | 108.2 Ų | 108.2 | 65% | 0.652 | 59% | 0.587 | S | S | * | * | | | trans | -51.4 | 121.3 | 173.5 | -66.6 | -134 | 82.8 | 159.2 | 0 | 103.9 | D200 S204 | D200-K202 PolarHBondContact O-N 3.46Å; K202-S204 PolarHBondContact O-N 3.36Å; K202-S204 PolarHBondContact O-OG 3.22Å |
| 203 | P | 72.6 | Confident | 76.2 | Confident | 96 Ų | 96 | 106.7 Ų | 106.7 | 62% | 0.623 | 58% | 0.58 | S | S | * | * | | | trans | -52.6 | 114.4 | 177.3 | 18.3 | -28.7 | 0 | 0 | 0 | 105.4 | V201 W205 | V201-P203 WeakPolarHBondContact O-CD 3.37Å; P203-W205 VanDerWaalsContact C-N 3.3Å; P203-W205 VanDerWaalsContact O-CD1 3.31Å; P203-W205 PolarHBondContact O-N 2.91Å |
| 204 | S | 81.8 | Confident | 78 | Confident | 101 Ų | 101 | 103.5 Ų | 103.5 | 71% | 0.706 | 57% | 0.569 | S | S | * | * | | | trans | -77 | 92.9 | -173.6 | -48.3 | 0 | 0 | 0 | 0 | 105.1 | K202 T206 | K202-S204 PolarHBondContact O-N 3.36Å; K202-S204 PolarHBondContact O-OG 3.22Å; S204-T206 PolarHBondContact O-N 3.41Å |
| 205 | W | 89.9 | Confident | 79.9 | Confident | 160 Ų | 160 | 103.8 Ų | 103.8 | 61% | 0.606 | 57% | 0.567 | S | S | * | * | | | trans | -63 | 113.6 | 178.3 | -80.2 | 54.3 | 0 | 0 | 0 | 107.6 | P203 D209 V210 | P203-W205 VanDerWaalsContact C-N 3.3Å; P203-W205 VanDerWaalsContact O-CD1 3.31Å; P203-W205 PolarHBondContact O-N 2.91Å; W205-D209 HydrophobicContact CE3-CB 4.31Å; W205-V210 HydrophobicContact CB-CG2 4.42Å; W205-V210 HydrophobicContact CE3-CG2 3.96Å |
| 206 | T | 92.4 | Very high | 81.6 | Confident | 70 Ų | 70 | 107.4 Ų | 107.4 | 43% | 0.429 | 58% | 0.575 | S | S | . | * | | | trans | -76.8 | 158.6 | 172.9 | 71.7 | 0 | 0 | 0 | 0 | 108.8 | S204 R208 D209 V210 | S204-T206 PolarHBondContact O-N 3.41Å; T206-R208 PolarHBondContact O-N 2.82Å; T206-R208 VanDerWaalsContact O-N 3.07Å; T206-R208 PolarHBondContact OG1-N 3.01Å; T206-D209 WeakPolarHBondContact CB-OD2 3.31Å; T206-D209 PolarHBondContact N-OD2 2.91Å; T206-D209 WeakPolarHBondContact O-CB 3.44Å; T206-D209 PolarHBondContact O-N 2.82Å; T206-D209 VanDerWaalsContact OG1-CG 3.23Å; T206-D209 PolarHBondContact OG1-N 2.83Å; T206-D209 PolarHBondContact OG1-OD2 2.78Å; T206-V210 PolarHBondContact O-N 2.68Å; T206-V210 VanDerWaalsContact O-N 3.13Å |
| 207 | T | 94.8 | Very high | 83.6 | Confident | 127 Ų | 127 | 103.5 Ų | 103.5 | 78% | 0.779 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -53.8 | -31.2 | 173.9 | -50.9 | 0 | 0 | 0 | 0 | 112 | A211 | T207-A211 WeakPolarHBondContact O-CB 3.33Å; T207-A211 PolarHBondContact O-N 2.88Å |
| 208 | R | 95.3 | Very high | 85.3 | Confident | 187 Ų | 187 | 104.8 Ų | 104.8 | 71% | 0.706 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65 | -42.2 | 174.7 | -175.6 | -175.7 | -179.6 | 109 | -0.1 | 111.8 | T206 V210 A211 L212 | T206-R208 PolarHBondContact O-N 2.82Å; T206-R208 VanDerWaalsContact O-N 3.07Å; T206-R208 PolarHBondContact OG1-N 3.01Å; R208-V210 VanDerWaalsContact C-N 3.35Å; R208-A211 PolarHBondContact O-N 3.36Å; R208-L212 HydrophobicContact CG-CD1 4.05Å; R208-L212 HydrophobicContact CG-CG 4.47Å; R208-L212 WeakPolarHBondContact O-CB 3.29Å; R208-L212 VanDerWaalsContact O-CG 3.31Å; R208-L212 WeakPolarHBondContact O-CG 3.3Å; R208-L212 PolarHBondContact O-N 3.5Å |
| 209 | D | 94.9 | Very high | 87.1 | Confident | 69 Ų | 69 | 108.5 Ų | 108.5 | 37% | 0.369 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.7 | -40.9 | 178.9 | -57.4 | -46.7 | 0 | 0 | 0 | 111 | W205 T206 S213 | W205-D209 HydrophobicContact CE3-CB 4.31Å; T206-D209 WeakPolarHBondContact CB-OD2 3.31Å; T206-D209 PolarHBondContact N-OD2 2.91Å; T206-D209 WeakPolarHBondContact O-CB 3.44Å; T206-D209 PolarHBondContact O-N 2.82Å; T206-D209 VanDerWaalsContact OG1-CG 3.23Å; T206-D209 PolarHBondContact OG1-N 2.83Å; T206-D209 PolarHBondContact OG1-OD2 2.78Å; D209-S213 WeakPolarHBondContact O-CB 3.25Å; D209-S213 PolarHBondContact O-N 2.78Å |
| 210 | V | 95.9 | Very high | 88.4 | Confident | 70 Ų | 70 | 109 Ų | 109 | 42% | 0.424 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.8 | -49.8 | 173.6 | 179.6 | 0 | 0 | 0 | 0 | 110.6 | W205 T206 R208 L212 S213 V214 | W205-V210 HydrophobicContact CB-CG2 4.42Å; W205-V210 HydrophobicContact CE3-CG2 3.96Å; T206-V210 PolarHBondContact O-N 2.68Å; T206-V210 VanDerWaalsContact O-N 3.13Å; R208-V210 VanDerWaalsContact C-N 3.35Å; V210-L212 PolarHBondContact O-N 3.07Å; V210-S213 PolarHBondContact O-N 2.91Å; V210-V214 HydrophobicContact CG1-CG2 4.31Å; V210-V214 WeakPolarHBondContact O-CG2 3.22Å; V210-V214 PolarHBondContact O-N 3.18Å |
| 211 | A | 96.7 | Very high | 90 | Very high | 58 Ų | 58 | 107.2 Ų | 107.2 | 48% | 0.479 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.8 | -43.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T207 R208 H215 | T207-A211 WeakPolarHBondContact O-CB 3.33Å; T207-A211 PolarHBondContact O-N 2.88Å; R208-A211 PolarHBondContact O-N 3.36Å; A211-H215 VanDerWaalsContact O-CB 3.25Å; A211-H215 WeakPolarHBondContact O-CB 3.25Å; A211-H215 PolarHBondContact O-N 3.22Å |
| 212 | L | 96.3 | Very high | 91.2 | Very high | 71 Ų | 71 | 103.2 Ų | 103.2 | 37% | 0.372 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68 | -38 | 177.2 | -70 | 175.3 | 0 | 0 | 0 | 112.1 | R208 V210 R216 | R208-L212 HydrophobicContact CG-CD1 4.05Å; R208-L212 HydrophobicContact CG-CG 4.47Å; R208-L212 WeakPolarHBondContact O-CB 3.29Å; R208-L212 VanDerWaalsContact O-CG 3.31Å; R208-L212 WeakPolarHBondContact O-CG 3.3Å; R208-L212 PolarHBondContact O-N 3.5Å; V210-L212 PolarHBondContact O-N 3.07Å; L212-R216 WeakPolarHBondContact O-CB 3.21Å; L212-R216 WeakPolarHBondContact O-CG 3.36Å; L212-R216 PolarHBondContact O-N 2.93Å |
| 213 | S | 95.4 | Very high | 92.1 | Very high | 52 Ų | 52 | 102 Ų | 102 | 36% | 0.364 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.3 | -51.3 | 175.8 | -177 | 0 | 0 | 0 | 0 | 111.4 | D209 V210 H215 R216 A217 | D209-S213 WeakPolarHBondContact O-CB 3.25Å; D209-S213 PolarHBondContact O-N 2.78Å; V210-S213 PolarHBondContact O-N 2.91Å; S213-H215 PolarHBondContact O-N 3.1Å; S213-R216 PolarHBondContact O-N 3.23Å; S213-A217 PolarHBondContact O-N 3.03Å |
| 214 | V | 96.8 | Very high | 92.5 | Very high | 70 Ų | 70 | 104.3 Ų | 104.3 | 42% | 0.424 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.9 | -46.2 | 178.2 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | V210 R216 A217 F218 | V210-V214 HydrophobicContact CG1-CG2 4.31Å; V210-V214 WeakPolarHBondContact O-CG2 3.22Å; V210-V214 PolarHBondContact O-N 3.18Å; V214-R216 VanDerWaalsContact C-N 3.32Å; V214-R216 PolarHBondContact O-N 3.29Å; V214-A217 WeakPolarHBondContact O-CB 3.49Å; V214-A217 PolarHBondContact O-N 2.98Å; V214-F218 HydrophobicContact CG1-CD2 3.58Å; V214-F218 HydrophobicContact CG1-CE2 3.6Å; V214-F218 WeakPolarHBondContact O-CD2 3.43Å; V214-F218 PolarHBondContact O-N 2.79Å |
| 215 | H | 96.6 | Very high | 92.5 | Very high | 105 Ų | 105 | 102.4 Ų | 102.4 | 49% | 0.486 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.1 | -42.1 | 177.4 | 179.6 | 73.5 | 0 | 0 | 0 | 112.5 | A211 S213 R219 | A211-H215 VanDerWaalsContact O-CB 3.25Å; A211-H215 WeakPolarHBondContact O-CB 3.25Å; A211-H215 PolarHBondContact O-N 3.22Å; S213-H215 PolarHBondContact O-N 3.1Å; H215-R219 VanDerWaalsContact NE2-CD 3.3Å; H215-R219 WeakPolarHBondContact NE2-CD 3.43Å; H215-R219 WeakPolarHBondContact O-CG 3.42Å; H215-R219 PolarHBondContact O-N 3.19Å |
| 216 | R | 94.9 | Very high | 91.7 | Very high | 165 Ų | 165 | 101.8 Ų | 101.8 | 62% | 0.623 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.4 | -43.4 | 175.5 | -73.7 | 170.9 | -175.1 | -179.2 | 2.5 | 111.6 | L212 S213 V214 R219 M220 | L212-R216 WeakPolarHBondContact O-CB 3.21Å; L212-R216 WeakPolarHBondContact O-CG 3.36Å; L212-R216 PolarHBondContact O-N 2.93Å; S213-R216 PolarHBondContact O-N 3.23Å; V214-R216 VanDerWaalsContact C-N 3.32Å; V214-R216 PolarHBondContact O-N 3.29Å; R216-R219 PolarHBondContact O-N 3.37Å; R216-M220 WeakPolarHBondContact O-CG 3.35Å; R216-M220 PolarHBondContact O-N 3.15Å |
| 217 | A | 95.6 | Very high | 90.3 | Very high | 44 Ų | 44 | 101.3 Ų | 101.3 | 36% | 0.364 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.7 | -48.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | S213 V214 R219 M220 V221 | S213-A217 PolarHBondContact O-N 3.03Å; V214-A217 WeakPolarHBondContact O-CB 3.49Å; V214-A217 PolarHBondContact O-N 2.98Å; A217-R219 VanDerWaalsContact C-N 3.32Å; A217-R219 PolarHBondContact O-N 3.06Å; A217-M220 PolarHBondContact O-N 2.81Å; A217-V221 WeakPolarHBondContact O-CG2 3.3Å; A217-V221 PolarHBondContact O-N 3.43Å |
| 218 | F | 93.9 | Very high | 88.4 | Confident | 153 Ų | 153 | 102.9 Ų | 102.9 | 67% | 0.671 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.7 | -36.9 | 176.9 | -88.2 | -77.1 | 0 | 0 | 0 | 113.1 | V214 G222 | V214-F218 HydrophobicContact CG1-CD2 3.58Å; V214-F218 HydrophobicContact CG1-CE2 3.6Å; V214-F218 WeakPolarHBondContact O-CD2 3.43Å; V214-F218 PolarHBondContact O-N 2.79Å; F218-G222 WeakPolarHBondContact O-CA 3.42Å; F218-G222 PolarHBondContact O-N 2.9Å |
| 219 | R | 92.6 | Very high | 86.5 | Confident | 162 Ų | 162 | 101.8 Ų | 101.8 | 61% | 0.611 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67.2 | -40.7 | 174.8 | -75.3 | -172.8 | 70.1 | -161.1 | 2.5 | 112.4 | H215 R216 A217 L223 | H215-R219 VanDerWaalsContact NE2-CD 3.3Å; H215-R219 WeakPolarHBondContact NE2-CD 3.43Å; H215-R219 WeakPolarHBondContact O-CG 3.42Å; H215-R219 PolarHBondContact O-N 3.19Å; R216-R219 PolarHBondContact O-N 3.37Å; A217-R219 VanDerWaalsContact C-N 3.32Å; A217-R219 PolarHBondContact O-N 3.06Å; R219-L223 WeakPolarHBondContact O-CB 3.42Å; R219-L223 VanDerWaalsContact O-CG 3.23Å; R219-L223 WeakPolarHBondContact O-CG 3.35Å; R219-L223 PolarHBondContact O-N 3.27Å |
| 220 | M | 91.7 | Very high | 84.5 | Confident | 132 Ų | 132 | 105.1 Ų | 105.1 | 65% | 0.65 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -66.2 | -46.7 | 177.1 | -71.7 | -168.5 | -61.8 | 0 | 0 | 111.6 | R216 A217 L223 F224 | R216-M220 WeakPolarHBondContact O-CG 3.35Å; R216-M220 PolarHBondContact O-N 3.15Å; A217-M220 PolarHBondContact O-N 2.81Å; M220-L223 PolarHBondContact O-N 3.12Å; M220-F224 PolarHBondContact O-N 3.38Å |
| 221 | V | 91.3 | Very high | 83.9 | Confident | 87 Ų | 87 | 106.9 Ų | 106.9 | 53% | 0.527 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.7 | -42.8 | 176.9 | 176.9 | 0 | 0 | 0 | 0 | 110.6 | A217 L223 F224 S225 | A217-V221 WeakPolarHBondContact O-CG2 3.3Å; A217-V221 PolarHBondContact O-N 3.43Å; V221-L223 PolarHBondContact O-N 2.94Å; V221-F224 WeakPolarHBondContact O-CB 3.45Å; V221-F224 PolarHBondContact O-N 2.89Å; V221-F224 VanDerWaalsContact O-N 3.15Å; V221-S225 PolarHBondContact O-N 3.06Å; V221-S225 PolarHBondContact O-OG 3.22Å; V221-S225 VanDerWaalsContact O-OG 3.06Å |
| 222 | G | 89.1 | Confident | 83.3 | Confident | 39 Ų | 39 | 109.4 Ų | 109.4 | 40% | 0.402 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63.3 | -36.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | F218 H226 | F218-G222 WeakPolarHBondContact O-CA 3.42Å; F218-G222 PolarHBondContact O-N 2.9Å; G222-H226 VanDerWaalsContact O-CB 3.3Å; G222-H226 WeakPolarHBondContact O-CB 3.23Å; G222-H226 PolarHBondContact O-N 3.05Å |
| 223 | L | 85.4 | Confident | 82.5 | Confident | 125 Ų | 125 | 111.6 Ų | 111.6 | 65% | 0.654 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -64.9 | -42.4 | 171.7 | -75.8 | 167.1 | 0 | 0 | 0 | 111.5 | R219 M220 V221 H226 G227 | R219-L223 WeakPolarHBondContact O-CB 3.42Å; R219-L223 VanDerWaalsContact O-CG 3.23Å; R219-L223 WeakPolarHBondContact O-CG 3.35Å; R219-L223 PolarHBondContact O-N 3.27Å; M220-L223 PolarHBondContact O-N 3.12Å; V221-L223 PolarHBondContact O-N 2.94Å; L223-H226 PolarHBondContact O-N 3.5Å; L223-G227 PolarHBondContact O-N 3.39Å; L223-G227 VanDerWaalsContact O-N 3.12Å |
| 224 | F | 80.9 | Confident | 81.8 | Confident | 144 Ų | 144 | 115.1 Ų | 115.1 | 63% | 0.632 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -63 | -46.1 | 175.6 | 175.8 | -101.3 | 0 | 0 | 0 | 111.6 | M220 V221 H226 G227 F228 | M220-F224 PolarHBondContact O-N 3.38Å; V221-F224 WeakPolarHBondContact O-CB 3.45Å; V221-F224 PolarHBondContact O-N 2.89Å; V221-F224 VanDerWaalsContact O-N 3.15Å; F224-H226 VanDerWaalsContact C-N 3.33Å; F224-H226 PolarHBondContact O-N 3.08Å; F224-G227 PolarHBondContact O-N 3.24Å; F224-F228 HydrophobicContact CZ-CD2 4.42Å; F224-F228 WeakPolarHBondContact O-CB 3.44Å; F224-F228 PolarHBondContact O-N 3.45Å |
| 225 | S | 82.6 | Confident | 80.8 | Confident | 61 Ų | 61 | 117.9 Ų | 117.9 | 43% | 0.427 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -65.9 | -34.3 | 177.2 | -58.1 | 0 | 0 | 0 | 0 | 112.7 | V221 G227 F228 L229 | V221-S225 PolarHBondContact O-N 3.06Å; V221-S225 PolarHBondContact O-OG 3.22Å; V221-S225 VanDerWaalsContact O-OG 3.06Å; S225-G227 VanDerWaalsContact C-N 3.34Å; S225-F228 PolarHBondContact O-N 3.4Å; S225-L229 PolarHBondContact O-N 3.01Å |
| 226 | H | 72.7 | Confident | 79.8 | Confident | 146 Ų | 146 | 118.7 Ų | 118.7 | 68% | 0.676 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -68.6 | -33.9 | 176.2 | -166.7 | 54.5 | 0 | 0 | 0 | 112.2 | G222 L223 F224 A230 | G222-H226 VanDerWaalsContact O-CB 3.3Å; G222-H226 WeakPolarHBondContact O-CB 3.23Å; G222-H226 PolarHBondContact O-N 3.05Å; L223-H226 PolarHBondContact O-N 3.5Å; F224-H226 VanDerWaalsContact C-N 3.33Å; F224-H226 PolarHBondContact O-N 3.08Å; H226-A230 WeakPolarHBondContact O-CB 3.41Å |
| 227 | G | 63.7 | Low | 78.7 | Confident | 61 Ų | 61 | 115.4 Ų | 115.4 | 63% | 0.629 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -78.4 | -15.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | L223 F224 S225 | L223-G227 PolarHBondContact O-N 3.39Å; L223-G227 VanDerWaalsContact O-N 3.12Å; F224-G227 PolarHBondContact O-N 3.24Å; S225-G227 VanDerWaalsContact C-N 3.34Å |
| 228 | F | 54.9 | Low | 77.4 | Confident | 160 Ų | 160 | 120.9 Ų | 120.9 | 70% | 0.702 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -94.1 | -17.6 | 178.1 | -164.7 | -96.2 | 0 | 0 | 0 | 113.2 | F224 S225 | F224-F228 HydrophobicContact CZ-CD2 4.42Å; F224-F228 WeakPolarHBondContact O-CB 3.44Å; F224-F228 PolarHBondContact O-N 3.45Å; S225-F228 PolarHBondContact O-N 3.4Å |
| 229 | L | 55 | Low | 76 | Confident | 163 Ų | 163 | 118.3 Ų | 118.3 | 85% | 0.853 | 66% | 0.659 | S | S | * | * | | | trans | -105.7 | 4.1 | 177.6 | -135 | 80.4 | 0 | 0 | 0 | 113.7 | S225 | S225-L229 PolarHBondContact O-N 3.01Š|
| 230 | A | 52.5 | Low | 74.5 | Confident | 139 Ų | 139 | 114.3 Ų | 114.3 | 100% | 1.149 | 66% | 0.664 | S | S | * | * | | | trans | -96.7 | 0 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | H226 | H226-A230 WeakPolarHBondContact O-CB 3.41Š|