| 1 | M | 51.9 | Low | 52 | Low | 243 Ų | 243 | 155.3 Ų | 155.3 | 100% | 1.197 | 86% | 0.862 | S | S | * | * | | | | 0 | 93.7 | 0 | -100.2 | 122.1 | 161 | 0 | 0 | 107.7 | | |
| 2 | D | 45.8 | Very low | 52.6 | Low | 139 Ų | 139 | 152.2 Ų | 152.2 | 74% | 0.743 | 86% | 0.859 | S | S | * | * | | | trans | -66.1 | 150.7 | 172.7 | -50.5 | -88 | 0 | 0 | 0 | 111.1 | | |
| 3 | K | 52.2 | Low | 52.7 | Low | 204 Ų | 204 | 158.5 Ų | 158.5 | 89% | 0.887 | 86% | 0.861 | S | S | * | * | | | | 176.8 | 114.5 | 117 | -92.2 | 166.7 | -167.2 | -161.8 | 0 | 112.7 | | |
| 4 | Y | 51.2 | Low | 52.5 | Low | 218 Ų | 218 | 155.6 Ų | 155.6 | 86% | 0.855 | 86% | 0.858 | S | S | * | * | | | trans | -53 | 152.3 | 157.5 | -68.5 | -98 | 0 | 0 | 0 | 112.7 | | |
| 5 | S | 53.9 | Low | 52.5 | Low | 126 Ų | 126 | 149.5 Ų | 149.5 | 88% | 0.881 | 85% | 0.845 | S | S | * | * | | | trans | 179.5 | 141 | 146.9 | -76.6 | 0 | 0 | 0 | 0 | 108.2 | | |
| 6 | S | 56.4 | Low | 52.2 | Low | 105 Ų | 105 | 152.6 Ų | 152.6 | 73% | 0.734 | 85% | 0.85 | S | S | * | * | | | cis | -170.9 | 138 | -10.7 | 177.9 | 0 | 0 | 0 | 0 | 104.8 | | |
| 7 | L | 49.4 | Very low | 52.5 | Low | 168 Ų | 168 | 149.7 Ų | 149.7 | 88% | 0.88 | 84% | 0.843 | S | S | * | * | | | trans | -72.6 | 140.5 | 168.4 | -68 | 162.3 | 0 | 0 | 0 | 109.4 | | |
| 8 | T | 59.9 | Low | 52.7 | Low | 127 Ų | 127 | 151.6 Ų | 151.6 | 78% | 0.779 | 84% | 0.844 | S | S | * | * | | | trans | -135.8 | 106.3 | 163 | 52.2 | 0 | 0 | 0 | 0 | 109.8 | | |
| 9 | S | 41.8 | Very low | 52.7 | Low | 123 Ų | 123 | 153.8 Ų | 153.8 | 86% | 0.86 | 85% | 0.847 | S | S | * | * | | | trans | -88.7 | 131.8 | 162.8 | -55.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 10 | T | 64.3 | Low | 53 | Low | 138 Ų | 138 | 152 Ų | 152 | 85% | 0.847 | 84% | 0.842 | S | S | * | * | | | trans | -121.9 | 116.4 | 169.2 | 50.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 11 | S | 45.1 | Very low | 53.1 | Low | 117 Ų | 117 | 149.1 Ų | 149.1 | 82% | 0.818 | 84% | 0.839 | S | S | * | * | | | trans | -87.2 | 139.2 | 170.6 | -176.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 12 | S | 59.1 | Low | 53 | Low | 118 Ų | 118 | 145.1 Ų | 145.1 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | | | trans | -175.4 | 148.8 | 163 | -74.7 | 0 | 0 | 0 | 0 | 108.3 | | |
| 13 | R | 54.8 | Low | 53.4 | Low | 234 Ų | 234 | 145.8 Ų | 145.8 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | | | cis | 178 | 129.5 | -21.7 | 169.6 | 169.8 | 173.6 | -170 | -1.6 | 105.1 | | |
| 14 | S | 49.9 | Very low | 53.7 | Low | 118 Ų | 118 | 146.7 Ų | 146.7 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | | | trans | 40.7 | 137 | 143 | -163.8 | 0 | 0 | 0 | 0 | 123.4 | | |
| 15 | G | 51.7 | Low | 54.1 | Low | 64 Ų | 64 | 144.8 Ų | 144.8 | 66% | 0.66 | 82% | 0.822 | S | S | * | * | | | trans | 140 | 94.4 | 148.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 16 | Q | 47.7 | Very low | 53.8 | Low | 199 Ų | 199 | 146.6 Ų | 146.6 | 93% | 0.93 | 82% | 0.82 | S | S | * | * | | | | 67.9 | 110.2 | 97.7 | -77.6 | -170.8 | -39.8 | 0 | 0 | 116 | | |
| 17 | S | 57.6 | Low | 53.6 | Low | 104 Ų | 104 | 149.8 Ų | 149.8 | 73% | 0.727 | 83% | 0.828 | S | S | * | * | | | trans | -174.5 | 97.1 | 146.4 | -172.6 | 0 | 0 | 0 | 0 | 107.5 | | |
| 18 | E | 56 | Low | 53.7 | Low | 183 Ų | 183 | 145.5 Ų | 145.5 | 86% | 0.855 | 82% | 0.824 | S | S | * | * | | | | 73.6 | 96.5 | 89.7 | -68.8 | -172.9 | 128.9 | 0 | 0 | 114.2 | | |
| 19 | H | 52.1 | Low | 53 | Low | 195 Ų | 195 | 147.2 Ų | 147.2 | 90% | 0.903 | 83% | 0.829 | S | S | * | * | | | trans | -83.9 | 132.9 | 164.6 | -90.1 | -87.6 | 0 | 0 | 0 | 110.3 | | |
| 20 | P | 60.2 | Low | 53.6 | Low | 117 Ų | 117 | 147 Ų | 147 | 76% | 0.76 | 83% | 0.827 | S | S | * | * | | | trans | -108.1 | 125.3 | 157.3 | 32.1 | -22.5 | 0 | 0 | 0 | 112.6 | | |
| 21 | A | 54.4 | Low | 53 | Low | 92 Ų | 92 | 146.4 Ų | 146.4 | 76% | 0.76 | 83% | 0.829 | S | S | * | * | | | trans | 37.4 | 115.8 | 133.9 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 22 | N | 50.3 | Low | 53.5 | Low | 158 Ų | 158 | 149.1 Ų | 149.1 | 85% | 0.845 | 83% | 0.834 | S | S | * | * | | | | 13.3 | 108.9 | 124.5 | -71.7 | -13.5 | 0 | 0 | 0 | 116.9 | | |
| 23 | D | 53.2 | Low | 53.1 | Low | 154 Ų | 154 | 146.5 Ų | 146.5 | 82% | 0.824 | 83% | 0.826 | S | S | * | * | | | | 177.3 | 121 | 126.4 | -115.4 | -41.2 | 0 | 0 | 0 | 108.9 | | |
| 24 | R | 59.6 | Low | 53 | Low | 223 Ų | 223 | 144.9 Ų | 144.9 | 84% | 0.842 | 83% | 0.828 | S | S | * | * | | | trans | 160.1 | 108.5 | 131.7 | -86 | 173.5 | 177.2 | -158.3 | -1.7 | 113.2 | | |
| 25 | Q | 57.8 | Low | 53.2 | Low | 178 Ų | 178 | 144.1 Ų | 144.1 | 83% | 0.832 | 82% | 0.823 | S | S | * | * | | | | 76.5 | 96.1 | 128.1 | -57.4 | -162 | -16.5 | 0 | 0 | 119.5 | | |
| 26 | I | 47.9 | Very low | 53.6 | Low | 164 Ų | 164 | 149.9 Ų | 149.9 | 84% | 0.841 | 83% | 0.833 | S | S | * | * | | | trans | -59.3 | 121 | 145.2 | -59.1 | 169.5 | 0 | 0 | 0 | 108.7 | | |
| 27 | L | 53.8 | Low | 54 | Low | 172 Ų | 172 | 146.3 Ų | 146.3 | 90% | 0.901 | 82% | 0.824 | S | S | * | * | | | trans | 178 | 123.6 | 138.1 | -120.9 | 79.4 | 0 | 0 | 0 | 108.7 | | |
| 28 | G | 50.2 | Low | 54 | Low | 77 Ų | 77 | 145.5 Ų | 145.5 | 79% | 0.794 | 82% | 0.824 | S | S | * | * | | | trans | 163.5 | 71 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 29 | D | 45.5 | Very low | 54 | Low | 163 Ų | 163 | 142.9 Ų | 142.9 | 87% | 0.872 | 82% | 0.82 | S | S | * | * | | | trans | -47.3 | 135.7 | 160.5 | -78.6 | -56.1 | 0 | 0 | 0 | 111.4 | | |
| 30 | S | 54.8 | Low | 54.2 | Low | 118 Ų | 118 | 139 Ų | 139 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | | | trans | -178.3 | 101.5 | 135.2 | -80.7 | 0 | 0 | 0 | 0 | 110.3 | N32 | S30-N32 PolarHBondContact O-N 3.27Š|
| 31 | S | 51.7 | Low | 54.1 | Low | 126 Ų | 126 | 140.6 Ų | 140.6 | 88% | 0.881 | 82% | 0.817 | S | S | * | * | | | trans | -56.5 | 120 | 157.3 | 41.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 32 | N | 56.2 | Low | 53.7 | Low | 175 Ų | 175 | 139.2 Ų | 139.2 | 94% | 0.936 | 81% | 0.812 | S | S | * | * | | | trans | -170.6 | 135.7 | 141.6 | -149.2 | 10.4 | 0 | 0 | 0 | 111.3 | S30 | S30-N32 PolarHBondContact O-N 3.27Š|
| 33 | G | 49.5 | Very low | 54.1 | Low | 63 Ų | 63 | 138.3 Ų | 138.3 | 65% | 0.649 | 81% | 0.811 | S | S | * | * | | | trans | 112.1 | 48 | 159.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | S35 | G33-S35 PolarHBondContact O-N 3.33Š|
| 34 | Q | 52 | Low | 54 | Low | 199 Ų | 199 | 135.5 Ų | 135.5 | 93% | 0.93 | 81% | 0.81 | S | S | * | * | | | trans | -65.6 | 91.8 | 148.2 | -73.9 | -173.7 | -50.3 | 0 | 0 | 107.5 | E36 | Q34-E36 PolarHBondContact O-N 2.98Š|
| 35 | S | 55.2 | Low | 53.9 | Low | 102 Ų | 102 | 130.4 Ų | 130.4 | 71% | 0.713 | 81% | 0.808 | S | S | * | * | | | trans | -80 | 93.4 | 164.9 | -176.1 | 0 | 0 | 0 | 0 | 107.1 | G33 V37 | G33-S35 PolarHBondContact O-N 3.33Å; S35-V37 PolarHBondContact O-N 3.19Å |
| 36 | E | 59.1 | Low | 54 | Low | 186 Ų | 186 | 129.5 Ų | 129.5 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | | | trans | -62 | 102.6 | 160.4 | -77.3 | -177 | 108.9 | 0 | 0 | 107.8 | Q34 A38 | Q34-E36 PolarHBondContact O-N 2.98Å; E36-A38 PolarHBondContact O-N 2.98Å; E36-A38 VanDerWaalsContact O-N 3.16Å |
| 37 | V | 57.4 | Low | 54.7 | Low | 123 Ų | 123 | 126.5 Ų | 126.5 | 75% | 0.745 | 80% | 0.8 | S | S | * | * | | | trans | -74.9 | 104 | 167.1 | -168.6 | 0 | 0 | 0 | 0 | 106.2 | S35 V39 | S35-V37 PolarHBondContact O-N 3.19Å; V37-V39 PolarHBondContact O-N 3.47Å; V37-V39 VanDerWaalsContact O-N 3.15Å |
| 38 | A | 56.9 | Low | 55 | Low | 88 Ų | 88 | 127.1 Ų | 127.1 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | | | trans | -54.9 | 117.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | E36 S40 | E36-A38 PolarHBondContact O-N 2.98Å; E36-A38 VanDerWaalsContact O-N 3.16Å; A38-S40 PolarHBondContact O-N 3.14Å; A38-S40 VanDerWaalsContact O-N 3.07Å |
| 39 | V | 57.1 | Low | 55.6 | Low | 128 Ų | 128 | 131.6 Ų | 131.6 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | | | trans | -70.6 | 97.7 | 170.2 | -172.2 | 0 | 0 | 0 | 0 | 107.5 | V37 N41 | V37-V39 PolarHBondContact O-N 3.47Å; V37-V39 VanDerWaalsContact O-N 3.15Å; V39-N41 PolarHBondContact O-N 3.15Å |
| 40 | S | 55.4 | Low | 56.2 | Low | 113 Ų | 113 | 131.4 Ų | 131.4 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | | | trans | -76.3 | 102.3 | 165.3 | -87.5 | 0 | 0 | 0 | 0 | 108.8 | A38 G42 | A38-S40 PolarHBondContact O-N 3.14Å; A38-S40 VanDerWaalsContact O-N 3.07Å; S40-G42 PolarHBondContact O-N 3.01Å |
| 41 | N | 58.7 | Low | 56.4 | Low | 151 Ų | 151 | 132.9 Ų | 132.9 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | | | trans | -68 | 69.6 | 159.2 | -80 | -8.4 | 0 | 0 | 0 | 109.2 | V39 V43 | V39-N41 PolarHBondContact O-N 3.15Å; N41-V43 PolarHBondContact O-N 2.87Å |
| 42 | G | 46 | Very low | 56.9 | Low | 63 Ų | 63 | 135.2 Ų | 135.2 | 65% | 0.649 | 79% | 0.791 | S | S | * | * | | | trans | -76.3 | 103.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | S40 A44 | S40-G42 PolarHBondContact O-N 3.01Å; G42-A44 VanDerWaalsContact C-N 3.26Å; G42-A44 PolarHBondContact O-N 2.79Å |
| 43 | V | 58.2 | Low | 56.9 | Low | 138 Ų | 138 | 134 Ų | 134 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | | | trans | -55.4 | 93.7 | 160.8 | -77.6 | 0 | 0 | 0 | 0 | 108.3 | N41 S45 | N41-V43 PolarHBondContact O-N 2.87Å; V43-S45 PolarHBondContact O-N 3.19Å |
| 44 | A | 51.1 | Low | 56.9 | Low | 96 Ų | 96 | 133 Ų | 133 | 79% | 0.793 | 77% | 0.774 | S | S | * | * | | | trans | -63 | 103.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 106.8 | G42 L46 | G42-A44 VanDerWaalsContact C-N 3.26Å; G42-A44 PolarHBondContact O-N 2.79Å; A44-L46 PolarHBondContact O-N 3.03Å |
| 45 | S | 57.1 | Low | 57.2 | Low | 115 Ų | 115 | 130.5 Ų | 130.5 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | trans | -55.4 | 111.4 | 167.9 | -74.8 | 0 | 0 | 0 | 0 | 107.3 | V43 | V43-S45 PolarHBondContact O-N 3.19Š|
| 46 | L | 61.1 | Low | 57.4 | Low | 159 Ų | 159 | 134.5 Ų | 134.5 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | | | trans | -57.3 | 134.8 | 169.9 | -82.8 | 160.4 | 0 | 0 | 0 | 108.3 | A44 E48 | A44-L46 PolarHBondContact O-N 3.03Å; L46-E48 PolarHBondContact O-N 3.07Å |
| 47 | P | 62.5 | Low | 57.4 | Low | 102 Ų | 102 | 134.2 Ų | 134.2 | 66% | 0.662 | 77% | 0.77 | S | S | * | * | | | trans | -61.2 | 123 | 167.9 | 23.7 | -29.1 | 0 | 0 | 0 | 108.5 | M49 | P47-M49 PolarHBondContact O-N 3.3Š|
| 48 | E | 59.8 | Low | 57.2 | Low | 184 Ų | 184 | 134 Ų | 134 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | | | trans | -57.7 | 88.9 | 160.1 | -86.9 | -177.5 | 127.9 | 0 | 0 | 107.7 | L46 M50 | L46-E48 PolarHBondContact O-N 3.07Å; E48-M50 PolarHBondContact O-N 3.18Å |
| 49 | M | 61.4 | Low | 57.3 | Low | 172 Ų | 172 | 141.2 Ų | 141.2 | 85% | 0.847 | 78% | 0.782 | S | S | * | * | | | trans | -71.3 | 88 | 162.6 | -73.1 | -165.5 | -64.5 | 0 | 0 | 107.2 | P47 | P47-M49 PolarHBondContact O-N 3.3Š|
| 50 | M | 59.4 | Low | 57.7 | Low | 159 Ų | 159 | 144.7 Ų | 144.7 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | | | trans | 21.4 | 106.4 | 149.3 | -68.3 | 172.4 | 61.9 | 0 | 0 | 115.2 | E48 Q52 | E48-M50 PolarHBondContact O-N 3.18Å; M50-Q52 PolarHBondContact O-N 3.12Å |
| 51 | L | 59 | Low | 57.8 | Low | 149 Ų | 149 | 151.1 Ų | 151.1 | 78% | 0.78 | 79% | 0.794 | S | S | * | * | | | trans | -50.1 | 106.4 | 151.6 | -71.7 | 96.3 | 0 | 0 | 0 | 109.1 | | |
| 52 | Q | 62.8 | Low | 57.8 | Low | 175 Ų | 175 | 149.1 Ų | 149.1 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | -118.6 | 86.4 | 158.4 | -163 | 168.6 | 21.8 | 0 | 0 | 108.7 | M50 G54 | M50-Q52 PolarHBondContact O-N 3.12Å; Q52-G54 PolarHBondContact O-N 3.01Å |
| 53 | N | 55 | Low | 58.8 | Low | 149 Ų | 149 | 153.2 Ų | 153.2 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | | | trans | -62.7 | 109.7 | 161.9 | -66.2 | -30.4 | 0 | 0 | 0 | 107.9 | | |
| 54 | G | 50.3 | Low | 58.9 | Low | 42 Ų | 42 | 152.1 Ų | 152.1 | 43% | 0.433 | 79% | 0.793 | S | S | . | * | | | trans | -128.6 | 109.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q52 H56 | Q52-G54 PolarHBondContact O-N 3.01Å; G54-H56 PolarHBondContact O-N 3.05Å |
| 55 | D | 57.6 | Low | 58.7 | Low | 147 Ų | 147 | 152.7 Ų | 152.7 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | | | trans | -43.7 | 102.3 | 171 | -77.5 | -88.2 | 0 | 0 | 0 | 113.1 | K57 | D55-K57 PolarHBondContact O-N 3Š|
| 56 | H | 58.5 | Low | 58.6 | Low | 185 Ų | 185 | 153.6 Ų | 153.6 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | | | trans | -94.4 | 78.8 | 162.9 | -61.4 | -43.7 | 0 | 0 | 0 | 109.1 | G54 S58 | G54-H56 PolarHBondContact O-N 3.05Å; H56-S58 PolarHBondContact O-N 2.81Å |
| 57 | K | 60.5 | Low | 58.2 | Low | 181 Ų | 181 | 151.4 Ų | 151.4 | 79% | 0.787 | 79% | 0.79 | S | S | * | * | | | trans | -51 | 124.5 | 163.8 | -75.5 | 178.2 | 175.1 | 178.3 | 0 | 109.7 | D55 | D55-K57 PolarHBondContact O-N 3Š|
| 58 | S | 53.3 | Low | 57.9 | Low | 118 Ų | 118 | 154.6 Ų | 154.6 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | | | trans | -8.2 | 119.1 | 161.1 | -48.3 | 0 | 0 | 0 | 0 | 115.7 | H56 | H56-S58 PolarHBondContact O-N 2.81Š|
| 59 | R | 58.1 | Low | 57.4 | Low | 239 Ų | 239 | 154 Ų | 154 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | | | trans | -133.9 | 95.6 | 153.4 | -135.5 | 179 | -80.7 | -175.5 | -3.5 | 108.9 | R61 | R59-R61 PolarHBondContact O-N 3.05Å; R59-R61 VanDerWaalsContact O-N 3.15Å |
| 60 | K | 65.2 | Low | 56.6 | Low | 202 Ų | 202 | 152.8 Ų | 152.8 | 88% | 0.878 | 80% | 0.796 | S | S | * | * | | | trans | -52.9 | 115.6 | 164.7 | -69.4 | -176.5 | 175.3 | -176.6 | 0 | 106.9 | S62 | K60-S62 PolarHBondContact O-N 3.15Å; K60-S62 VanDerWaalsContact O-N 3.14Å |
| 61 | R | 58.8 | Low | 56.6 | Low | 247 Ų | 247 | 152.2 Ų | 152.2 | 93% | 0.932 | 80% | 0.796 | S | S | * | * | | | trans | -71.6 | 107.3 | 166.8 | -75.4 | -174.1 | -160.4 | -158.7 | 4.7 | 107.1 | R59 | R59-R61 PolarHBondContact O-N 3.05Å; R59-R61 VanDerWaalsContact O-N 3.15Å |
| 62 | S | 58.7 | Low | 56 | Low | 109 Ų | 109 | 150.4 Ų | 150.4 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | | | trans | -57.5 | 129.4 | 169.7 | 32 | 0 | 0 | 0 | 0 | 110.7 | K60 | K60-S62 PolarHBondContact O-N 3.15Å; K60-S62 VanDerWaalsContact O-N 3.14Å |
| 63 | I | 67 | Low | 55.2 | Low | 150 Ų | 150 | 145.4 Ų | 145.4 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | | | trans | -69.4 | 128.1 | 166.3 | -45.5 | 166.9 | 0 | 0 | 0 | 106.4 | S65 | I63-S65 PolarHBondContact O-N 2.82Å; I63-S65 VanDerWaalsContact O-N 3.12Å |
| 64 | P | 59.5 | Low | 55.3 | Low | 115 Ų | 115 | 144.5 Ų | 144.5 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | | | trans | -70.6 | 106.6 | 168.1 | 26.5 | -28.3 | 0 | 0 | 0 | 108.7 | | |
| 65 | S | 48.1 | Very low | 55.5 | Low | 108 Ų | 108 | 150.3 Ų | 150.3 | 76% | 0.755 | 82% | 0.815 | S | S | * | * | | | trans | -80.5 | 113.9 | 158.4 | -76.8 | 0 | 0 | 0 | 0 | 108 | I63 | I63-S65 PolarHBondContact O-N 2.82Å; I63-S65 VanDerWaalsContact O-N 3.12Å |
| 66 | T | 55.1 | Low | 55.2 | Low | 133 Ų | 133 | 146.1 Ų | 146.1 | 82% | 0.816 | 81% | 0.806 | S | S | * | * | | | trans | -99.8 | 96.3 | 160.2 | 49.6 | 0 | 0 | 0 | 0 | 107.3 | | |
| 67 | S | 50.9 | Low | 55.1 | Low | 113 Ų | 113 | 143.1 Ų | 143.1 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | | | trans | -82.8 | 116 | 160.5 | -62.6 | 0 | 0 | 0 | 0 | 107.6 | | |
| 68 | E | 56.6 | Low | 54.8 | Low | 169 Ų | 169 | 146.9 Ų | 146.9 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | | | trans | -132.7 | 115.2 | 157.7 | -72.4 | -164.6 | 130.5 | 0 | 0 | 110.2 | | |
| 69 | Q | 48.8 | Very low | 54.9 | Low | 172 Ų | 172 | 146.8 Ų | 146.8 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | | | trans | 68.1 | 91.6 | 144.4 | -64.6 | -178.4 | -90.3 | 0 | 0 | 119.5 | | |
| 70 | T | 45.5 | Very low | 54.9 | Low | 146 Ų | 146 | 143.4 Ų | 143.4 | 90% | 0.896 | 81% | 0.814 | S | S | * | * | | | trans | -65.8 | 124.1 | 138.4 | 45.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 71 | D | 58.5 | Low | 54.4 | Low | 148 Ų | 148 | 137 Ų | 137 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | | | trans | -142.8 | 147.9 | 145.7 | -162.6 | 16.1 | 0 | 0 | 0 | 110.2 | | |
| 72 | S | 47 | Very low | 54 | Low | 110 Ų | 110 | 128.3 Ų | 128.3 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | | | trans | -66.8 | 156 | -150.4 | 41.6 | 0 | 0 | 0 | 0 | 119.2 | | |
| 73 | G | 46.5 | Very low | 53.6 | Low | 70 Ų | 70 | 131.7 Ų | 131.7 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | | | trans | 162.6 | 101.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 74 | P | 56.6 | Low | 53.2 | Low | 131 Ų | 131 | 132.6 Ų | 132.6 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | | | trans | -91.9 | 129.7 | -179.9 | 34.6 | -26.9 | 0 | 0 | 0 | 110.3 | | |
| 75 | D | 54.1 | Low | 52.5 | Low | 164 Ų | 164 | 131.6 Ų | 131.6 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | | | trans | -145.3 | 139 | 150.9 | -159.5 | 5 | 0 | 0 | 0 | 110 | | |
| 76 | G | 52.8 | Low | 53 | Low | 58 Ų | 58 | 134.2 Ų | 134.2 | 60% | 0.598 | 80% | 0.797 | S | S | * | * | | | trans | -74.4 | 143.6 | -168.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 77 | S | 55.3 | Low | 52.9 | Low | 122 Ų | 122 | 135.9 Ų | 135.9 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | | | trans | -159.4 | 115.5 | 140.9 | -83.7 | 0 | 0 | 0 | 0 | 108.1 | S79 | S77-S79 PolarHBondContact O-N 3.03Š|
| 78 | R | 55.2 | Low | 52.7 | Low | 260 Ų | 260 | 134.8 Ų | 134.8 | 98% | 0.981 | 79% | 0.794 | S | S | * | * | | | trans | -54.9 | 117.8 | 169.4 | -70.2 | 163.8 | 134.1 | -174.4 | -6 | 108.3 | | |
| 79 | S | 55.8 | Low | 52.5 | Low | 116 Ų | 116 | 131.4 Ų | 131.4 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | | | trans | -119.6 | 102.3 | 157.7 | -155.8 | 0 | 0 | 0 | 0 | 107.9 | S77 G81 | S77-S79 PolarHBondContact O-N 3.03Å; S79-G81 PolarHBondContact O-N 2.68Å |
| 80 | D | 56.3 | Low | 52.4 | Low | 169 Ų | 169 | 131.8 Ų | 131.8 | 90% | 0.904 | 80% | 0.797 | S | S | * | * | | | trans | -52.2 | 119.9 | 158.4 | -165.4 | 55.7 | 0 | 0 | 0 | 107.5 | | |
| 81 | G | 56.1 | Low | 52.3 | Low | 68 Ų | 68 | 129.9 Ų | 129.9 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | | | trans | -150.8 | 71.5 | -167.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | S79 | S79-G81 PolarHBondContact O-N 2.68Š|
| 82 | G | 49.3 | Very low | 51.8 | Low | 64 Ų | 64 | 128.2 Ų | 128.2 | 66% | 0.66 | 79% | 0.79 | S | S | * | * | | | trans | 46.9 | 105.8 | 148.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | L84 | G82-L84 PolarHBondContact O-N 3.48Å; G82-L84 VanDerWaalsContact O-N 3.07Å |
| 83 | Q | 50.8 | Low | 51.5 | Low | 180 Ų | 180 | 128.6 Ų | 128.6 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | | | trans | -46.1 | 114.1 | 156.2 | -64.9 | 176.8 | 23.4 | 0 | 0 | 110.1 | T85 | Q83-T85 VanDerWaalsContact C-N 3.28Å; Q83-T85 PolarHBondContact O-N 3.16Å |
| 84 | L | 57.6 | Low | 51.4 | Low | 169 Ų | 169 | 130 Ų | 130 | 89% | 0.885 | 79% | 0.791 | S | S | * | * | | | trans | -86.2 | 81.7 | 156.3 | -81.3 | 166 | 0 | 0 | 0 | 106.8 | G82 I86 | G82-L84 PolarHBondContact O-N 3.48Å; G82-L84 VanDerWaalsContact O-N 3.07Å; L84-I86 PolarHBondContact O-N 3.47Å |
| 85 | T | 46.4 | Very low | 50.8 | Low | 94 Ų | 94 | 131 Ų | 131 | 58% | 0.577 | 79% | 0.788 | S | S | * | * | | | trans | -66.4 | 108.3 | 162.9 | -58.5 | 0 | 0 | 0 | 0 | 106.7 | Q83 E87 | Q83-T85 VanDerWaalsContact C-N 3.28Å; Q83-T85 PolarHBondContact O-N 3.16Å; T85-E87 HydrophobicContact CG2-CG 3.79Å; T85-E87 PolarHBondContact O-N 2.92Å |
| 86 | I | 57.7 | Low | 50.4 | Low | 162 Ų | 162 | 128.2 Ų | 128.2 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | | | trans | -78.4 | 85.5 | 171.9 | -53.2 | 174 | 0 | 0 | 0 | 105.9 | L84 A88 | L84-I86 PolarHBondContact O-N 3.47Å; I86-A88 PolarHBondContact O-N 2.76Å |
| 87 | E | 53.7 | Low | 50.3 | Low | 168 Ų | 168 | 130.4 Ų | 130.4 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | | | trans | -67.5 | 127.5 | 167.5 | -67.1 | -167.4 | 123.7 | 0 | 0 | 108.6 | T85 A89 | T85-E87 HydrophobicContact CG2-CG 3.79Å; T85-E87 PolarHBondContact O-N 2.92Å; E87-A89 PolarHBondContact O-N 3.24Å |
| 88 | A | 46.5 | Very low | 50.1 | Low | 91 Ų | 91 | 129.8 Ų | 129.8 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | | | trans | -60.7 | 103.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | I86 E90 | I86-A88 PolarHBondContact O-N 2.76Å; A88-E90 PolarHBondContact O-N 2.67Å |
| 89 | A | 51.5 | Low | 49.6 | Very low | 98 Ų | 98 | 126 Ų | 126 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | | | trans | -75.7 | 81.6 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | E87 S91 | E87-A89 PolarHBondContact O-N 3.24Å; A89-S91 PolarHBondContact O-N 2.92Å |
| 90 | E | 47.9 | Very low | 49.3 | Very low | 180 Ų | 180 | 124.8 Ų | 124.8 | 84% | 0.841 | 77% | 0.766 | S | S | * | * | | | trans | -70.1 | 83.1 | 155.8 | -63.7 | -173.2 | 110.9 | 0 | 0 | 108 | A88 | A88-E90 PolarHBondContact O-N 2.67Š|
| 91 | S | 43.5 | Very low | 48.7 | Very low | 106 Ų | 106 | 122.2 Ų | 122.2 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | | | trans | -169.7 | 92.7 | 168.5 | -83.3 | 0 | 0 | 0 | 0 | 110 | A89 | A89-S91 PolarHBondContact O-N 2.92Š|
| 92 | S | 48.2 | Very low | 48.5 | Very low | 113 Ų | 113 | 126.7 Ų | 126.7 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | | | | 165.7 | 104.1 | 126.4 | 42.5 | 0 | 0 | 0 | 0 | 110.1 | S94 | S92-S94 PolarHBondContact O-N 2.84Å; S92-S94 VanDerWaalsContact O-N 3.15Å |
| 93 | S | 40.1 | Very low | 48.8 | Very low | 117 Ų | 117 | 127.9 Ų | 127.9 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | | | trans | -21.9 | 110.1 | 145.8 | -168.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 94 | S | 44.1 | Very low | 48.6 | Very low | 101 Ų | 101 | 122.5 Ų | 122.5 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | | | trans | -147.6 | 94.2 | 163 | 175.4 | 0 | 0 | 0 | 0 | 106.1 | S92 S96 | S92-S94 PolarHBondContact O-N 2.84Å; S92-S94 VanDerWaalsContact O-N 3.15Å; S94-S96 VanDerWaalsContact C-N 3.34Å; S94-S96 PolarHBondContact O-N 3.28Å |
| 95 | L | 45.2 | Very low | 48.2 | Very low | 152 Ų | 152 | 117.6 Ų | 117.6 | 80% | 0.796 | 72% | 0.718 | S | S | * | * | | | trans | -40.5 | 96.3 | 169.6 | -85.7 | 63.7 | 0 | 0 | 0 | 109.7 | P97 | L95-P97 VanDerWaalsContact O-CD 3.25Å; L95-P97 WeakPolarHBondContact O-CD 3.17Å |
| 96 | S | 45.2 | Very low | 48.8 | Very low | 104 Ų | 104 | 115.9 Ų | 115.9 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | | | trans | -75.5 | 110.8 | 156.5 | -61.5 | 0 | 0 | 0 | 0 | 104.9 | S94 | S94-S96 VanDerWaalsContact C-N 3.34Å; S94-S96 PolarHBondContact O-N 3.28Å |
| 97 | P | 51.1 | Low | 48.7 | Very low | 104 Ų | 104 | 111.6 Ų | 111.6 | 68% | 0.675 | 69% | 0.69 | S | S | * | * | | | trans | -55.5 | 138.1 | 175 | 22.6 | -30.3 | 0 | 0 | 0 | 107.7 | L95 M99 | L95-P97 VanDerWaalsContact O-CD 3.25Å; L95-P97 WeakPolarHBondContact O-CD 3.17Å; P97-M99 PolarHBondContact O-N 2.83Å |
| 98 | P | 49.3 | Very low | 48.9 | Very low | 110 Ų | 110 | 108.4 Ų | 108.4 | 71% | 0.714 | 68% | 0.678 | S | S | * | * | | | trans | -52.7 | 124.5 | 174.9 | 23 | -31.8 | 0 | 0 | 0 | 106.8 | S100 | P98-S100 PolarHBondContact O-N 3.26Å; P98-S100 PolarHBondContact O-OG 3.23Å |
| 99 | M | 46.3 | Very low | 49.8 | Very low | 181 Ų | 181 | 112.2 Ų | 112.2 | 89% | 0.892 | 67% | 0.673 | S | S | * | * | | | trans | -61.1 | 86.2 | 170.4 | -76.5 | -176.3 | 73.5 | 0 | 0 | 106.9 | P97 | P97-M99 PolarHBondContact O-N 2.83Š|
| 100 | S | 47.6 | Very low | 50.3 | Low | 90 Ų | 90 | 111 Ų | 111 | 63% | 0.629 | 65% | 0.652 | S | S | * | * | | | trans | -52.7 | 140.3 | 166.1 | -58 | 0 | 0 | 0 | 0 | 106.8 | P98 R102 | P98-S100 PolarHBondContact O-N 3.26Å; P98-S100 PolarHBondContact O-OG 3.23Å; S100-R102 PolarHBondContact O-N 3.37Å |
| 101 | P | 45.6 | Very low | 50.7 | Low | 114 Ų | 114 | 107.1 Ų | 107.1 | 74% | 0.74 | 64% | 0.637 | S | S | * | * | | | trans | -47.7 | 124.2 | 177.4 | 19.9 | -31.1 | 0 | 0 | 0 | 107.6 | T103 | P101-T103 PolarHBondContact O-N 2.83Å; P101-T103 PolarHBondContact O-OG1 3.44Å |
| 102 | R | 50.1 | Low | 51.6 | Low | 163 Ų | 163 | 108.3 Ų | 108.3 | 62% | 0.615 | 63% | 0.631 | S | S | * | * | | | trans | -60.1 | 87.7 | 178.9 | -122.6 | 167.6 | 163 | -133.9 | 10.2 | 106.5 | S100 A104 E107 | S100-R102 PolarHBondContact O-N 3.37Å; R102-A104 PolarHBondContact O-N 2.93Å; R102-E107 HydrophobicContact CB-CG 4.04Å; R102-E107 WeakPolarHBondContact CD-OE1 3.3Å; R102-E107 HydrophobicContact CG-CG 3.78Å; R102-E107 IonicContact CZ-OE1 3.57Å; R102-E107 IonicContact NE-OE1 3.66Å; R102-E107 IonicContact NH1-OE1 2.82Å; R102-E107 PolarHBondContact NH1-OE1 3.21Å |
| 103 | T | 55.9 | Low | 52.2 | Low | 88 Ų | 88 | 109.9 Ų | 109.9 | 54% | 0.54 | 63% | 0.625 | S | S | . | * | | | trans | -62.8 | 137.3 | 179.4 | -52.7 | 0 | 0 | 0 | 0 | 106.2 | P101 A105 A106 E107 | P101-T103 PolarHBondContact O-N 2.83Å; P101-T103 PolarHBondContact O-OG1 3.44Å; T103-A105 HydrophobicContact CG2-CB 4.17Å; T103-A105 PolarHBondContact O-N 2.82Å; T103-A106 WeakPolarHBondContact O-CA 3.49Å; T103-A106 WeakPolarHBondContact O-CB 3.48Å; T103-A106 PolarHBondContact O-N 3.5Å; T103-E107 PolarHBondContact O-N 3.31Å; T103-E107 VanDerWaalsContact O-N 3.16Å |
| 104 | A | 47.4 | Very low | 52.8 | Low | 68 Ų | 68 | 110.8 Ų | 110.8 | 56% | 0.562 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -47 | -32.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | R102 E107 L108 | R102-A104 PolarHBondContact O-N 2.93Å; A104-E107 PolarHBondContact O-N 3.15Å; A104-L108 VanDerWaalsContact O-CB 3.3Å; A104-L108 WeakPolarHBondContact O-CB 3.25Å; A104-L108 VanDerWaalsContact O-CG 3.22Å; A104-L108 WeakPolarHBondContact O-CG 3.36Å; A104-L108 PolarHBondContact O-N 3.41Å |
| 105 | A | 49.8 | Very low | 53.3 | Low | 66 Ų | 66 | 109.5 Ų | 109.5 | 55% | 0.545 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -63.6 | -38.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | T103 R109 | T103-A105 HydrophobicContact CG2-CB 4.17Å; T103-A105 PolarHBondContact O-N 2.82Å; A105-R109 WeakPolarHBondContact O-CB 3.43Å; A105-R109 PolarHBondContact O-N 3.47Å |
| 106 | A | 59.3 | Low | 53.5 | Low | 57 Ų | 57 | 104.1 Ų | 104.1 | 47% | 0.471 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -74.2 | -36 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | T103 R109 L110 | T103-A106 WeakPolarHBondContact O-CA 3.49Å; T103-A106 WeakPolarHBondContact O-CB 3.48Å; T103-A106 PolarHBondContact O-N 3.5Å; A106-R109 PolarHBondContact O-N 3.42Å; A106-L110 WeakPolarHBondContact O-CB 3.32Å; A106-L110 PolarHBondContact O-N 3.07Å |
| 107 | E | 55.6 | Low | 53.8 | Low | 73 Ų | 73 | 101.4 Ų | 101.4 | 34% | 0.341 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.2 | -40.8 | 172.2 | -63.3 | -163.5 | 147.3 | 0 | 0 | 111.6 | R102 T103 A104 R109 L110 L111 | R102-E107 HydrophobicContact CB-CG 4.04Å; R102-E107 WeakPolarHBondContact CD-OE1 3.3Å; R102-E107 HydrophobicContact CG-CG 3.78Å; R102-E107 IonicContact CZ-OE1 3.57Å; R102-E107 IonicContact NE-OE1 3.66Å; R102-E107 IonicContact NH1-OE1 2.82Å; R102-E107 PolarHBondContact NH1-OE1 3.21Å; T103-E107 PolarHBondContact O-N 3.31Å; T103-E107 VanDerWaalsContact O-N 3.16Å; A104-E107 PolarHBondContact O-N 3.15Å; E107-R109 VanDerWaalsContact C-N 3.35Å; E107-R109 PolarHBondContact O-N 2.81Å; E107-L110 PolarHBondContact O-N 3.38Å; E107-L111 WeakPolarHBondContact O-CB 3.31Å; E107-L111 VanDerWaalsContact O-CG 3.31Å; E107-L111 WeakPolarHBondContact O-CG 3.22Å; E107-L111 PolarHBondContact O-N 2.8Å |
| 108 | L | 57.4 | Low | 53.7 | Low | 101 Ų | 101 | 100 Ų | 100 | 53% | 0.529 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.6 | -39.8 | 173 | -78.5 | 170.1 | 0 | 0 | 0 | 112 | A104 L111 Q112 | A104-L108 VanDerWaalsContact O-CB 3.3Å; A104-L108 WeakPolarHBondContact O-CB 3.25Å; A104-L108 VanDerWaalsContact O-CG 3.22Å; A104-L108 WeakPolarHBondContact O-CG 3.36Å; A104-L108 PolarHBondContact O-N 3.41Å; L108-L111 PolarHBondContact O-N 3.07Å; L108-Q112 WeakPolarHBondContact O-CB 3.25Å; L108-Q112 VanDerWaalsContact O-CG 3.23Å; L108-Q112 WeakPolarHBondContact O-CG 3.22Å; L108-Q112 PolarHBondContact O-N 3.43Å |
| 109 | R | 65.7 | Low | 53.7 | Low | 171 Ų | 171 | 98.4 Ų | 98.4 | 65% | 0.645 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.9 | -44.8 | 174 | -175.6 | 176.9 | 178.8 | 160.6 | 2.1 | 111.8 | A105 A106 E107 L111 Q112 E113 | A105-R109 WeakPolarHBondContact O-CB 3.43Å; A105-R109 PolarHBondContact O-N 3.47Å; A106-R109 PolarHBondContact O-N 3.42Å; E107-R109 VanDerWaalsContact C-N 3.35Å; E107-R109 PolarHBondContact O-N 2.81Å; R109-L111 VanDerWaalsContact C-N 3.3Å; R109-L111 PolarHBondContact O-N 2.77Å; R109-Q112 WeakPolarHBondContact O-CB 3.42Å; R109-Q112 PolarHBondContact O-N 2.52Å; R109-E113 VanDerWaalsContact O-CB 3.32Å; R109-E113 WeakPolarHBondContact O-CB 3.23Å; R109-E113 PolarHBondContact O-N 2.95Å |
| 110 | L | 60.7 | Low | 54 | Low | 72 Ų | 72 | 93.6 Ų | 93.6 | 38% | 0.377 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.6 | -37.1 | 177 | -161.6 | 98.6 | 0 | 0 | 0 | 111.2 | A106 E107 E113 L114 | A106-L110 WeakPolarHBondContact O-CB 3.32Å; A106-L110 PolarHBondContact O-N 3.07Å; E107-L110 PolarHBondContact O-N 3.38Å; L110-E113 PolarHBondContact O-N 2.86Å; L110-L114 HydrophobicContact CD2-CD1 3.61Å; L110-L114 HydrophobicContact CG-CD1 3.81Å; L110-L114 HydrophobicContact CG-CG 4.35Å; L110-L114 WeakPolarHBondContact O-CB 3.49Å; L110-L114 VanDerWaalsContact O-CG 3.25Å; L110-L114 WeakPolarHBondContact O-CG 3.43Å; L110-L114 PolarHBondContact O-N 3.16Å |
| 111 | L | 57.7 | Low | 54.2 | Low | 98 Ų | 98 | 90.6 Ų | 90.6 | 51% | 0.513 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.4 | -43.8 | 171.9 | -76 | 163.3 | 0 | 0 | 0 | 110.6 | E107 L108 R109 E113 L114 T115 | E107-L111 WeakPolarHBondContact O-CB 3.31Å; E107-L111 VanDerWaalsContact O-CG 3.31Å; E107-L111 WeakPolarHBondContact O-CG 3.22Å; E107-L111 PolarHBondContact O-N 2.8Å; L108-L111 PolarHBondContact O-N 3.07Å; R109-L111 VanDerWaalsContact C-N 3.3Å; R109-L111 PolarHBondContact O-N 2.77Å; L111-E113 PolarHBondContact O-N 3.01Å; L111-L114 PolarHBondContact O-N 3.32Å; L111-T115 WeakPolarHBondContact O-CA 3.39Å; L111-T115 WeakPolarHBondContact O-CB 3.07Å; L111-T115 PolarHBondContact O-N 2.83Å; L111-T115 PolarHBondContact O-OG1 2.94Å |
| 112 | Q | 61.2 | Low | 54.7 | Low | 132 Ų | 132 | 91.7 Ų | 91.7 | 62% | 0.617 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.4 | -35.3 | 173.5 | -74.6 | 167.8 | -7.8 | 0 | 0 | 112.4 | L108 R109 G116 | L108-Q112 WeakPolarHBondContact O-CB 3.25Å; L108-Q112 VanDerWaalsContact O-CG 3.23Å; L108-Q112 WeakPolarHBondContact O-CG 3.22Å; L108-Q112 PolarHBondContact O-N 3.43Å; R109-Q112 WeakPolarHBondContact O-CB 3.42Å; R109-Q112 PolarHBondContact O-N 2.52Å; Q112-G116 WeakPolarHBondContact O-CA 3.07Å; Q112-G116 PolarHBondContact O-N 3.47Å |
| 113 | E | 60.5 | Low | 55 | Low | 145 Ų | 145 | 91.1 Ų | 91.1 | 68% | 0.678 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -79.1 | -37.4 | -179.5 | -157.3 | 168.8 | -147.3 | 0 | 0 | 112.5 | R109 L110 L111 | R109-E113 VanDerWaalsContact O-CB 3.32Å; R109-E113 WeakPolarHBondContact O-CB 3.23Å; R109-E113 PolarHBondContact O-N 2.95Å; L110-E113 PolarHBondContact O-N 2.86Å; L111-E113 PolarHBondContact O-N 3.01Å |
| 114 | L | 54.1 | Low | 55.1 | Low | 136 Ų | 136 | 87.8 Ų | 87.8 | 71% | 0.712 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -83 | -26.4 | 177.4 | -71.5 | 170.9 | 0 | 0 | 0 | 113.4 | L110 L111 | L110-L114 HydrophobicContact CD2-CD1 3.61Å; L110-L114 HydrophobicContact CG-CD1 3.81Å; L110-L114 HydrophobicContact CG-CG 4.35Å; L110-L114 WeakPolarHBondContact O-CB 3.49Å; L110-L114 VanDerWaalsContact O-CG 3.25Å; L110-L114 WeakPolarHBondContact O-CG 3.43Å; L110-L114 PolarHBondContact O-N 3.16Å; L111-L114 PolarHBondContact O-N 3.32Å |
| 115 | T | 53.9 | Low | 55.6 | Low | 74 Ų | 74 | 93.8 Ų | 93.8 | 45% | 0.454 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -101.5 | 5.4 | 177.7 | -24.3 | 0 | 0 | 0 | 0 | 111.4 | L111 M117 L120 | L111-T115 WeakPolarHBondContact O-CA 3.39Å; L111-T115 WeakPolarHBondContact O-CB 3.07Å; L111-T115 PolarHBondContact O-N 2.83Å; L111-T115 PolarHBondContact O-OG1 2.94Å; T115-M117 PolarHBondContact O-N 3.46Å; T115-L120 HydrophobicContact CG2-CD1 3.81Å |
| 116 | G | 49.2 | Very low | 56 | Low | 39 Ų | 39 | 96.9 Ų | 96.9 | 40% | 0.402 | 51% | 0.505 | S | S | . | . | | | trans | -59.5 | 89.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113 | Q112 A118 | Q112-G116 WeakPolarHBondContact O-CA 3.07Å; Q112-G116 PolarHBondContact O-N 3.47Å; G116-A118 PolarHBondContact O-N 3.2Å |
| 117 | M | 51 | Low | 56.1 | Low | 48 Ų | 48 | 97 Ų | 97 | 24% | 0.236 | 50% | 0.498 | C | S | . | . | S | Bend | trans | 52.2 | -39.7 | 149.3 | -79.2 | 164.8 | 50.7 | 0 | 0 | 119.7 | T115 N121 E134 D141 T143 | T115-M117 PolarHBondContact O-N 3.46Å; M117-N121 WeakPolarHBondContact O-CB 3.34Å; M117-N121 PolarHBondContact O-N 2.97Å; M117-E134 HydrophobicContact CE-CB 4.49Å; M117-E134 HydrophobicContact CE-CG 3.97Å; M117-E134 VanDerWaalsContact CE-OE1 3.31Å; M117-E134 WeakPolarHBondContact CE-OE1 3.43Å; M117-E134 WeakPolarHBondContact CE-OE2 3.42Å; M117-D141 HydrophobicContact CE-CB 3.99Å; M117-D141 HydrophobicContact SD-CB 3.76Å; M117-T143 VanDerWaalsContact CG-OG1 3.28Å; M117-T143 WeakPolarHBondContact CG-OG1 3.18Å; M117-T143 PolarHBondContact SD-OG1 2.83Å; M117-T143 VanDerWaalsContact SD-OG1 3.42Å |
| 118 | A | 50.2 | Low | 56.4 | Low | 75 Ų | 75 | 99 Ų | 99 | 62% | 0.62 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.4 | -46.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | G116 N121 E122 | G116-A118 PolarHBondContact O-N 3.2Å; A118-N121 PolarHBondContact O-N 2.79Å; A118-E122 WeakPolarHBondContact O-CB 3.31Å; A118-E122 PolarHBondContact O-N 2.66Å |
| 119 | A | 48.5 | Very low | 57 | Low | 76 Ų | 76 | 97.7 Ų | 97.7 | 63% | 0.628 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -72.8 | -36.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | F123 | A119-F123 WeakPolarHBondContact O-CB 3.42Å; A119-F123 PolarHBondContact O-N 2.85Å |
| 120 | L | 52.8 | Low | 56.9 | Low | 80 Ų | 80 | 90.2 Ų | 90.2 | 42% | 0.419 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -71.3 | -39.4 | 173.6 | -81.4 | 171.2 | 0 | 0 | 0 | 111.4 | T115 E122 F123 L124 | T115-L120 HydrophobicContact CG2-CD1 3.81Å; L120-E122 VanDerWaalsContact C-N 3.33Å; L120-E122 PolarHBondContact O-N 3.24Å; L120-F123 PolarHBondContact O-N 2.9Å; L120-L124 HydrophobicContact CB-CD1 4.42Å; L120-L124 WeakPolarHBondContact O-CB 3.26Å; L120-L124 WeakPolarHBondContact O-CG 3.34Å; L120-L124 PolarHBondContact O-N 3.42Å |
| 121 | N | 51.4 | Low | 57.2 | Low | 27 Ų | 27 | 91.6 Ų | 91.6 | 14% | 0.144 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -61.6 | -41.6 | 172.7 | -108.8 | -30 | 0 | 0 | 0 | 111.8 | M117 A118 R125 V132 E134 | M117-N121 WeakPolarHBondContact O-CB 3.34Å; M117-N121 PolarHBondContact O-N 2.97Å; A118-N121 PolarHBondContact O-N 2.79Å; N121-R125 WeakPolarHBondContact O-CA 3.36Å; N121-R125 WeakPolarHBondContact O-CB 3.28Å; N121-R125 WeakPolarHBondContact O-CG 3.33Å; N121-R125 PolarHBondContact O-N 2.8Å; N121-V132 WeakPolarHBondContact OD1-CG1 3.45Å; N121-E134 PolarHBondContact ND2-OE1 3.11Å |
| 122 | E | 55.9 | Low | 57.7 | Low | 136 Ų | 136 | 88.7 Ų | 88.7 | 64% | 0.636 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -67.9 | -39.9 | 179.4 | -169 | 173.8 | -176.8 | 0 | 0 | 111.6 | A118 L120 N126 | A118-E122 WeakPolarHBondContact O-CB 3.31Å; A118-E122 PolarHBondContact O-N 2.66Å; L120-E122 VanDerWaalsContact C-N 3.33Å; L120-E122 PolarHBondContact O-N 3.24Å; E122-N126 PolarHBondContact O-ND2 3.48Å; E122-N126 VanDerWaalsContact O-ND2 3.07Å |
| 123 | F | 56 | Low | 58.2 | Low | 151 Ų | 151 | 85.1 Ų | 85.1 | 66% | 0.662 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -68.4 | -42.9 | 176.1 | -172.6 | -97.4 | 0 | 0 | 0 | 112.5 | A119 L120 | A119-F123 WeakPolarHBondContact O-CB 3.42Å; A119-F123 PolarHBondContact O-N 2.85Å; L120-F123 PolarHBondContact O-N 2.9Å |
| 124 | L | 59 | Low | 58.9 | Low | 18 Ų | 18 | 82.3 Ų | 82.3 | 9% | 0.094 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -80.6 | -30.3 | -177.4 | -63.8 | 172.7 | 0 | 0 | 0 | 112.9 | L120 N126 D127 V130 V132 V145 | L120-L124 HydrophobicContact CB-CD1 4.42Å; L120-L124 WeakPolarHBondContact O-CB 3.26Å; L120-L124 WeakPolarHBondContact O-CG 3.34Å; L120-L124 PolarHBondContact O-N 3.42Å; L124-N126 PolarHBondContact O-N 2.77Å; L124-D127 PolarHBondContact O-N 2.85Å; L124-V130 HydrophobicContact CB-CG1 4.25Å; L124-V130 HydrophobicContact CD2-CG1 4.2Å; L124-V132 HydrophobicContact CB-CG2 3.49Å; L124-V132 VanDerWaalsContact CB-CG2 3.49Å; L124-V132 HydrophobicContact CD1-CG2 3.71Å; L124-V132 HydrophobicContact CG-CG2 4.23Å; L124-V145 HydrophobicContact CD1-CG1 3.95Å; L124-V145 HydrophobicContact CD1-CG2 3.75Å; L124-V145 HydrophobicContact CD2-CG1 4.41Å |
| 125 | R | 56.8 | Low | 59.9 | Low | 195 Ų | 195 | 78.8 Ų | 78.8 | 74% | 0.736 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -62.8 | -24.9 | 171.4 | -82.5 | 177.5 | 175.6 | -158.2 | -1 | 113 | N121 D127 | N121-R125 WeakPolarHBondContact O-CA 3.36Å; N121-R125 WeakPolarHBondContact O-CB 3.28Å; N121-R125 WeakPolarHBondContact O-CG 3.33Å; N121-R125 PolarHBondContact O-N 2.8Å; R125-D127 VanDerWaalsContact C-N 3.32Å |
| 126 | N | 58.4 | Low | 61.2 | Low | 131 Ų | 131 | 79.7 Ų | 79.7 | 70% | 0.701 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -11.2 | 176.3 | -70.1 | -25.2 | 0 | 0 | 0 | 112.7 | E122 L124 | E122-N126 PolarHBondContact O-ND2 3.48Å; E122-N126 VanDerWaalsContact O-ND2 3.07Å; L124-N126 PolarHBondContact O-N 2.77Å |
| 127 | D | 61.8 | Low | 62.6 | Low | 60 Ų | 60 | 81.3 Ų | 81.3 | 32% | 0.321 | 44% | 0.438 | S | S | . | . | | | trans | -91.3 | 108.2 | 171.9 | -163.5 | -21.8 | 0 | 0 | 0 | 109.1 | L124 R125 N129 V130 | L124-D127 PolarHBondContact O-N 2.85Å; R125-D127 VanDerWaalsContact C-N 3.32Å; D127-N129 PolarHBondContact O-N 3.08Å; D127-N129 WeakPolarHBondContact OD1-CB 3.46Å; D127-N129 PolarHBondContact OD1-N 3.37Å; D127-N129 PolarHBondContact OD1-ND2 3.01Å; D127-N129 VanDerWaalsContact OD1-ND2 3.08Å; D127-V130 HydrophobicContact CB-CB 4.17Å; D127-V130 HydrophobicContact CB-CG2 3.81Å; D127-V130 PolarHBondContact O-N 3.05Å; D127-V130 VanDerWaalsContact O-N 3.11Å |
| 128 | T | 62.4 | Low | 64.1 | Low | 115 Ų | 115 | 86.7 Ų | 86.7 | 71% | 0.706 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -10.6 | 179.1 | 54.6 | 0 | 0 | 0 | 0 | 113.2 | | |
| 129 | N | 70.6 | Confident | 65.6 | Low | 72 Ų | 72 | 86.4 Ų | 86.4 | 39% | 0.385 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 14.4 | 179.8 | -47.7 | -68.1 | 0 | 0 | 0 | 112 | D127 Y147 L148 | D127-N129 PolarHBondContact O-N 3.08Å; D127-N129 WeakPolarHBondContact OD1-CB 3.46Å; D127-N129 PolarHBondContact OD1-N 3.37Å; D127-N129 PolarHBondContact OD1-ND2 3.01Å; D127-N129 VanDerWaalsContact OD1-ND2 3.08Å; N129-Y147 CarbonylContact O-C 3.54Å; N129-Y147 WeakPolarHBondContact O-CA 3.42Å; N129-L148 PolarHBondContact O-N 2.81Å |
| 130 | V | 63.7 | Low | 66.8 | Low | 15 Ų | 15 | 87.9 Ų | 87.9 | 9% | 0.091 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 131.3 | -180 | -177 | 0 | 0 | 0 | 0 | 110.6 | L124 D127 V132 V145 D146 Y147 | L124-V130 HydrophobicContact CB-CG1 4.25Å; L124-V130 HydrophobicContact CD2-CG1 4.2Å; D127-V130 HydrophobicContact CB-CB 4.17Å; D127-V130 HydrophobicContact CB-CG2 3.81Å; D127-V130 PolarHBondContact O-N 3.05Å; D127-V130 VanDerWaalsContact O-N 3.11Å; V130-V132 HydrophobicContact CG1-CG2 3.97Å; V130-V145 HydrophobicContact CG1-CG1 3.46Å; V130-V145 VanDerWaalsContact CG1-CG1 3.46Å; V130-D146 CarbonylContact C-O 3.46Å; V130-D146 VanDerWaalsContact CA-O 3.31Å; V130-D146 WeakPolarHBondContact CA-O 3.31Å; V130-Y147 HydrophobicContact CG2-CD1 3.68Å; V130-Y147 HydrophobicContact CG2-CE1 3.7Å |
| 131 | E | 67 | Low | 68 | Low | 101 Ų | 101 | 88.8 Ų | 88.8 | 47% | 0.472 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 122 | 168.2 | -175.9 | 169.2 | -164.7 | 0 | 0 | 108.6 | D146 L148 | E131-D146 HydrophobicContact CB-CB 4.4Å; E131-D146 PolarHBondContact N-O 2.73Å; E131-D146 PolarHBondContact O-N 3.23Å; E131-L148 HydrophobicContact CB-CD2 4.41Å; E131-L148 HydrophobicContact CB-CG 4.41Å |
| 132 | V | 67.7 | Low | 69.2 | Low | 36 Ų | 36 | 89.9 Ų | 89.9 | 22% | 0.218 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 121.8 | 176.4 | -175.5 | 0 | 0 | 0 | 0 | 109.1 | N121 L124 V130 T143 F144 | N121-V132 WeakPolarHBondContact OD1-CG1 3.45Å; L124-V132 HydrophobicContact CB-CG2 3.49Å; L124-V132 VanDerWaalsContact CB-CG2 3.49Å; L124-V132 HydrophobicContact CD1-CG2 3.71Å; L124-V132 HydrophobicContact CG-CG2 4.23Å; V130-V132 HydrophobicContact CG1-CG2 3.97Å; V132-T143 HydrophobicContact CG1-CG2 3.57Å; V132-F144 WeakPolarHBondContact CA-O 3.33Å |
| 133 | T | 71.5 | Confident | 69.9 | Low | 58 Ų | 58 | 86.1 Ų | 86.1 | 36% | 0.356 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 127.7 | 177.8 | -60.7 | 0 | 0 | 0 | 0 | 110 | V135 F144 | T133-V135 HydrophobicContact CG2-CG2 4.11Å; T133-F144 PolarHBondContact N-O 3.12Å; T133-F144 PolarHBondContact O-N 3.28Å |
| 134 | E | 75.6 | Confident | 70.7 | Confident | 86 Ų | 86 | 84 Ų | 84 | 40% | 0.402 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 131.3 | 177.6 | -67 | 178.3 | 172.7 | 0 | 0 | 110.5 | M117 N121 V142 T143 | M117-E134 HydrophobicContact CE-CB 4.49Å; M117-E134 HydrophobicContact CE-CG 3.97Å; M117-E134 VanDerWaalsContact CE-OE1 3.31Å; M117-E134 WeakPolarHBondContact CE-OE1 3.43Å; M117-E134 WeakPolarHBondContact CE-OE2 3.42Å; N121-E134 PolarHBondContact ND2-OE1 3.11Å; E134-V142 WeakPolarHBondContact CA-O 3.49Å; E134-T143 HydrophobicContact CG-CG2 4.27Å |
| 135 | V | 74.8 | Confident | 71.3 | Confident | 61 Ų | 61 | 85.7 Ų | 85.7 | 37% | 0.37 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 130.3 | -178.8 | -174 | 0 | 0 | 0 | 0 | 109.8 | T133 V137 V142 F144 | T133-V135 HydrophobicContact CG2-CG2 4.11Å; V135-V137 HydrophobicContact CG1-CG2 3.97Å; V135-V142 PolarHBondContact N-O 3.49Å; V135-V142 WeakPolarHBondContact O-CB 3.06Å; V135-V142 PolarHBondContact O-N 2.99Å; V135-F144 HydrophobicContact CB-CE2 4.05Å; V135-F144 HydrophobicContact CG2-CD2 4.03Å; V135-F144 HydrophobicContact CG2-CE2 3.78Å |
| 136 | V | 80.2 | Confident | 71.9 | Confident | 94 Ų | 94 | 81 Ų | 81 | 57% | 0.57 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 115.4 | 175.2 | -168.5 | 0 | 0 | 0 | 0 | 109.6 | I140 D141 | V136-I140 CarbonylContact C-O 3.58Å; V136-I140 WeakPolarHBondContact CA-O 3.18Å; V136-D141 VanDerWaalsContact CG2-OD1 3.26Å; V136-D141 WeakPolarHBondContact CG2-OD1 3.09Å |
| 137 | V | 78.3 | Confident | 72.6 | Confident | 73 Ų | 73 | 83 Ų | 83 | 44% | 0.442 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 115.9 | 178.6 | -175.1 | 0 | 0 | 0 | 0 | 109 | V135 G139 I140 V142 | V135-V137 HydrophobicContact CG1-CG2 3.97Å; V137-G139 PolarHBondContact O-N 3.04Å; V137-I140 PolarHBondContact N-O 2.8Å; V137-I140 WeakPolarHBondContact O-CB 3.15Å; V137-I140 PolarHBondContact O-N 3.26Å; V137-V142 HydrophobicContact CB-CG2 4.42Å; V137-V142 HydrophobicContact CG2-CG2 4.27Å |
| 138 | N | 83.7 | Confident | 73 | Confident | 161 Ų | 161 | 82.9 Ų | 82.9 | 86% | 0.861 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 34.2 | -176.8 | -64 | -20.9 | 0 | 0 | 0 | 114.1 | I140 | N138-I140 VanDerWaalsContact C-N 3.26Å; N138-I140 PolarHBondContact O-N 2.8Å |
| 139 | G | 81.4 | Confident | 73.2 | Confident | 69 Ų | 69 | 83.9 Ų | 83.9 | 71% | 0.711 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77 | 10.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | V137 | V137-G139 PolarHBondContact O-N 3.04Š|
| 140 | I | 73.4 | Confident | 72.6 | Confident | 106 Ų | 106 | 88.8 Ų | 88.8 | 54% | 0.544 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 123.7 | 172.2 | -55.8 | 174.5 | 0 | 0 | 0 | 107.8 | V136 V137 N138 V142 | V136-I140 CarbonylContact C-O 3.58Å; V136-I140 WeakPolarHBondContact CA-O 3.18Å; V137-I140 PolarHBondContact N-O 2.8Å; V137-I140 WeakPolarHBondContact O-CB 3.15Å; V137-I140 PolarHBondContact O-N 3.26Å; N138-I140 VanDerWaalsContact C-N 3.26Å; N138-I140 PolarHBondContact O-N 2.8Å; I140-V142 PolarHBondContact O-N 3.45Å |
| 141 | D | 77.5 | Confident | 71.8 | Confident | 99 Ų | 99 | 99.7 Ų | 99.7 | 53% | 0.529 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 121.9 | 172.5 | -59.7 | -32.7 | 0 | 0 | 0 | 109.5 | M117 V136 | M117-D141 HydrophobicContact CE-CB 3.99Å; M117-D141 HydrophobicContact SD-CB 3.76Å; V136-D141 VanDerWaalsContact CG2-OD1 3.26Å; V136-D141 WeakPolarHBondContact CG2-OD1 3.09Å |
| 142 | V | 76.8 | Confident | 72.1 | Confident | 51 Ų | 51 | 99.6 Ų | 99.6 | 31% | 0.309 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 126 | 177.8 | -176.8 | 0 | 0 | 0 | 0 | 108.4 | E134 V135 V137 I140 F144 | E134-V142 WeakPolarHBondContact CA-O 3.49Å; V135-V142 PolarHBondContact N-O 3.49Å; V135-V142 WeakPolarHBondContact O-CB 3.06Å; V135-V142 PolarHBondContact O-N 2.99Å; V137-V142 HydrophobicContact CB-CG2 4.42Å; V137-V142 HydrophobicContact CG2-CG2 4.27Å; I140-V142 PolarHBondContact O-N 3.45Å; V142-F144 HydrophobicContact CB-CE2 4.24Å; V142-F144 HydrophobicContact CG1-CD2 4.31Å; V142-F144 HydrophobicContact CG1-CE1 4.36Å; V142-F144 HydrophobicContact CG1-CE2 3.67Å; V142-F144 HydrophobicContact CG1-CZ 3.7Å |
| 143 | T | 70.7 | Confident | 72.3 | Confident | 57 Ų | 57 | 102.9 Ų | 102.9 | 35% | 0.35 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 123.9 | 176.7 | -48 | 0 | 0 | 0 | 0 | 110.2 | M117 V132 E134 V145 | M117-T143 VanDerWaalsContact CG-OG1 3.28Å; M117-T143 WeakPolarHBondContact CG-OG1 3.18Å; M117-T143 PolarHBondContact SD-OG1 2.83Å; M117-T143 VanDerWaalsContact SD-OG1 3.42Å; V132-T143 HydrophobicContact CG1-CG2 3.57Å; E134-T143 HydrophobicContact CG-CG2 4.27Å; T143-V145 HydrophobicContact CG2-CG2 4.25Å |
| 144 | F | 72.7 | Confident | 72.4 | Confident | 105 Ų | 105 | 105.4 Ų | 105.4 | 46% | 0.461 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101 | 136 | 170.2 | -60.2 | -87.6 | 0 | 0 | 0 | 109.1 | V132 T133 V135 V142 | V132-F144 WeakPolarHBondContact CA-O 3.33Å; T133-F144 PolarHBondContact N-O 3.12Å; T133-F144 PolarHBondContact O-N 3.28Å; V135-F144 HydrophobicContact CB-CE2 4.05Å; V135-F144 HydrophobicContact CG2-CD2 4.03Å; V135-F144 HydrophobicContact CG2-CE2 3.78Å; V142-F144 HydrophobicContact CB-CE2 4.24Å; V142-F144 HydrophobicContact CG1-CD2 4.31Å; V142-F144 HydrophobicContact CG1-CE1 4.36Å; V142-F144 HydrophobicContact CG1-CE2 3.67Å; V142-F144 HydrophobicContact CG1-CZ 3.7Å |
| 145 | V | 71.7 | Confident | 72.2 | Confident | 54 Ų | 54 | 106.6 Ų | 106.6 | 33% | 0.327 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -127.1 | 109 | 179.6 | -177.4 | 0 | 0 | 0 | 0 | 107.5 | L124 V130 T143 | L124-V145 HydrophobicContact CD1-CG1 3.95Å; L124-V145 HydrophobicContact CD1-CG2 3.75Å; L124-V145 HydrophobicContact CD2-CG1 4.41Å; V130-V145 HydrophobicContact CG1-CG1 3.46Å; V130-V145 VanDerWaalsContact CG1-CG1 3.46Å; T143-V145 HydrophobicContact CG2-CG2 4.25Å |
| 146 | D | 70.5 | Confident | 72 | Confident | 96 Ų | 96 | 109.4 Ų | 109.4 | 51% | 0.513 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.1 | 134.3 | 178.4 | -80.5 | -33.6 | 0 | 0 | 0 | 110.5 | V130 E131 | V130-D146 CarbonylContact C-O 3.46Å; V130-D146 VanDerWaalsContact CA-O 3.31Å; V130-D146 WeakPolarHBondContact CA-O 3.31Å; E131-D146 HydrophobicContact CB-CB 4.4Å; E131-D146 PolarHBondContact N-O 2.73Å; E131-D146 PolarHBondContact O-N 3.23Å |
| 147 | Y | 71.9 | Confident | 71.5 | Confident | 173 Ų | 173 | 110.5 Ų | 110.5 | 68% | 0.678 | 57% | 0.572 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -91.2 | 115.7 | 174.8 | -68.7 | -86.2 | 0 | 0 | 0 | 110 | N129 V130 N149 | N129-Y147 CarbonylContact O-C 3.54Å; N129-Y147 WeakPolarHBondContact O-CA 3.42Å; V130-Y147 HydrophobicContact CG2-CD1 3.68Å; V130-Y147 HydrophobicContact CG2-CE1 3.7Å; Y147-N149 PolarHBondContact O-N 3.07Å; Y147-N149 VanDerWaalsContact O-N 3.12Å |
| 148 | L | 71.5 | Confident | 71 | Confident | 59 Ų | 59 | 113.1 Ų | 113.1 | 31% | 0.309 | 58% | 0.581 | S | S | . | * | | | trans | -75.1 | 96 | 171 | -57.5 | 178.9 | 0 | 0 | 0 | 108.8 | N129 E131 Y150 | N129-L148 PolarHBondContact O-N 2.81Å; E131-L148 HydrophobicContact CB-CD2 4.41Å; E131-L148 HydrophobicContact CB-CG 4.41Å; L148-Y150 HydrophobicContact CB-CD2 4.27Å; L148-Y150 HydrophobicContact CB-CE2 3.87Å; L148-Y150 HydrophobicContact CD1-CE2 4.2Å; L148-Y150 PolarHBondContact O-N 2.68Å |
| 149 | N | 65.6 | Low | 70 | Confident | 135 Ų | 135 | 109.5 Ų | 109.5 | 72% | 0.722 | 56% | 0.56 | S | S | * | * | | | trans | -83 | 93.2 | 171.4 | -165.5 | 13.1 | 0 | 0 | 0 | 109.5 | Y147 Q151 | Y147-N149 PolarHBondContact O-N 3.07Å; Y147-N149 VanDerWaalsContact O-N 3.12Å; N149-Q151 PolarHBondContact O-N 3.04Å |
| 150 | Y | 58.8 | Low | 69 | Low | 175 Ų | 175 | 112.8 Ų | 112.8 | 69% | 0.686 | 55% | 0.547 | S | S | * | . | | | trans | -74.7 | 105.8 | 167.5 | -68.8 | -79.9 | 0 | 0 | 0 | 108.7 | L148 | L148-Y150 HydrophobicContact CB-CD2 4.27Å; L148-Y150 HydrophobicContact CB-CE2 3.87Å; L148-Y150 HydrophobicContact CD1-CE2 4.2Å; L148-Y150 PolarHBondContact O-N 2.68Å |
| 151 | Q | 47.6 | Very low | 68.7 | Low | 244 Ų | 244 | 113.5 Ų | 113.5 | 100% | 1.14 | 55% | 0.548 | S | S | * | . | | | trans | -80 | 0 | 166.2 | -71.2 | -160.3 | 28.5 | 0 | 0 | 111.8 | N149 | N149-Q151 PolarHBondContact O-N 3.04Š|