| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.9 | Very low | 38.4 | Very low | 247 Ų | 247 | 173.6 Ų | 173.6 | 100% | 1.217 | 84% | 0.842 | S | S | * | * | 0 | 121.8 | 0 | -77.5 | -175.5 | 166.8 | 0 | 0 | 109.5 | |||||
| 2 | P | 45.4 | Very low | 38 | Very low | 120 Ų | 120 | 172.2 Ų | 172.2 | 78% | 0.779 | 83% | 0.829 | S | S | * | * | trans | -116.8 | 164.9 | 178 | 37.8 | -25.4 | 0 | 0 | 0 | 114.6 | ||||
| 3 | K | 37.2 | Very low | 37.7 | Very low | 193 Ų | 193 | 169.9 Ų | 169.9 | 84% | 0.839 | 82% | 0.819 | S | S | * | * | trans | 78.7 | 112.9 | 151.9 | -78.6 | -179.4 | 177.6 | 175.4 | 0 | 123.9 | ||||
| 4 | V | 39.3 | Very low | 37.3 | Very low | 122 Ų | 122 | 169.9 Ų | 169.9 | 74% | 0.739 | 82% | 0.817 | S | S | * | * | 71.6 | 121.3 | 114.4 | 178.5 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 5 | R | 38.6 | Very low | 37.3 | Very low | 225 Ų | 225 | 173.7 Ų | 173.7 | 85% | 0.849 | 82% | 0.82 | S | S | * | * | trans | 54.8 | 134.3 | 144 | -77.6 | 177 | 170.3 | -179.8 | -2.4 | 123.8 | ||||
| 6 | K | 36 | Very low | 37.9 | Very low | 215 Ų | 215 | 170.9 Ų | 170.9 | 94% | 0.935 | 82% | 0.82 | S | S | * | * | -142.2 | 154 | 129.9 | -83.4 | -170.2 | -178.9 | 173.6 | 0 | 111.7 | |||||
| 7 | Q | 36.3 | Very low | 37.4 | Very low | 174 Ų | 174 | 172.5 Ų | 172.5 | 81% | 0.813 | 82% | 0.823 | S | S | * | * | trans | -132.3 | 152.8 | -168.7 | -174.1 | -174.8 | 17.9 | 0 | 0 | 108.9 | ||||
| 8 | K | 35.4 | Very low | 37.1 | Very low | 193 Ų | 193 | 168.3 Ų | 168.3 | 84% | 0.839 | 82% | 0.822 | S | S | * | * | trans | 153.8 | 144.7 | 153.2 | -91.1 | 173.7 | -175.8 | -169.3 | 0 | 109.3 | ||||
| 9 | H | 31.3 | Very low | 36.6 | Very low | 181 Ų | 181 | 164.9 Ų | 164.9 | 84% | 0.838 | 82% | 0.824 | S | S | * | * | cis | -165.4 | 159.5 | 0.7 | -144.1 | 41.8 | 0 | 0 | 0 | 108.5 | ||||
| 10 | N | 36.9 | Very low | 36.1 | Very low | 127 Ų | 127 | 161.3 Ų | 161.3 | 68% | 0.679 | 81% | 0.814 | S | S | * | * | trans | -95.8 | 164.9 | 173.9 | -146.6 | 27 | 0 | 0 | 0 | 110.2 | ||||
| 11 | P | 45.1 | Very low | 35.9 | Very low | 113 Ų | 113 | 160.8 Ų | 160.8 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | -153.6 | 140.1 | 103.4 | 34.2 | -13.4 | 0 | 0 | 0 | 118.5 | |||||
| 12 | F | 32.9 | Very low | 35.5 | Very low | 156 Ų | 156 | 155.5 Ų | 155.5 | 68% | 0.684 | 79% | 0.791 | S | S | * | * | trans | 36.2 | 118.9 | 136.4 | -74 | -89.9 | 0 | 0 | 0 | 123.1 | ||||
| 13 | M | 34.1 | Very low | 35 | Very low | 143 Ų | 143 | 157 Ų | 157 | 70% | 0.704 | 79% | 0.787 | S | S | * | * | 74.7 | 140.5 | 92.8 | -74.5 | -158.8 | -172.8 | 0 | 0 | 114.9 | |||||
| 14 | H | 32.2 | Very low | 34.5 | Very low | 169 Ų | 169 | 150.8 Ų | 150.8 | 78% | 0.782 | 78% | 0.779 | S | S | * | * | cis | -163.4 | 159 | 48.1 | -99.3 | -72.2 | 0 | 0 | 0 | 112.6 | ||||
| 15 | R | 38.1 | Very low | 34.1 | Very low | 228 Ų | 228 | 151.5 Ų | 151.5 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | trans | -102.6 | 153.8 | 155.7 | -155.6 | -176.5 | -163.8 | -175.8 | 5.4 | 107.7 | ||||
| 16 | P | 46.1 | Very low | 33.9 | Very low | 128 Ų | 128 | 148.7 Ų | 148.7 | 83% | 0.831 | 77% | 0.771 | S | S | * | * | -151.3 | -175.1 | 114.7 | 34.7 | -13.6 | 0 | 0 | 0 | 116.1 | |||||
| 17 | K | 30 | Very low | 33.8 | Very low | 199 Ų | 199 | 144.5 Ų | 144.5 | 87% | 0.865 | 76% | 0.759 | S | S | * | * | trans | -88.9 | 153.9 | -165.9 | -82.4 | 172.3 | 165.2 | 175.1 | 0 | 116 | ||||
| 18 | A | 30.9 | Very low | 33.7 | Very low | 97 Ų | 97 | 144.8 Ų | 144.8 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | 72.2 | 153 | 128.5 | 0 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 19 | A | 27.9 | Very low | 33.7 | Very low | 104 Ų | 104 | 143.8 Ų | 143.8 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | trans | 79 | 149.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 20 | S | 27.2 | Very low | 33.8 | Very low | 91 Ų | 91 | 142.7 Ų | 142.7 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | cis | -177.8 | 158.6 | -18.8 | -160.7 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 21 | D | 31 | Very low | 33.5 | Very low | 151 Ų | 151 | 141.3 Ų | 141.3 | 81% | 0.807 | 76% | 0.755 | S | S | * | * | trans | 72.5 | 148.4 | 156.4 | -49.2 | -18.8 | 0 | 0 | 0 | 116.9 | ||||
| 22 | D | 33 | Very low | 32.8 | Very low | 137 Ų | 137 | 140.7 Ų | 140.7 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | cis | -179 | 169.2 | -8.3 | -177.9 | 20.3 | 0 | 0 | 0 | 106.5 | ||||
| 23 | E | 34.6 | Very low | 32.7 | Very low | 150 Ų | 150 | 140.5 Ų | 140.5 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | trans | 88.7 | 114.7 | 158.3 | -66.1 | -70.8 | 174.7 | 0 | 0 | 122.3 | ||||
| 24 | G | 27.9 | Very low | 32.5 | Very low | 64 Ų | 64 | 143 Ų | 143 | 66% | 0.66 | 76% | 0.764 | S | S | * | * | trans | 126.4 | 83.7 | 133.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 25 | L | 31.1 | Very low | 32.3 | Very low | 137 Ų | 137 | 143 Ų | 143 | 72% | 0.717 | 76% | 0.764 | S | S | * | * | 65.9 | 124.1 | 89.5 | -78.7 | 169.9 | 0 | 0 | 0 | 113.4 | |||||
| 26 | K | 33.7 | Very low | 31.9 | Very low | 165 Ų | 165 | 141 Ų | 141 | 72% | 0.717 | 77% | 0.765 | S | S | * | * | cis | -165.4 | 137.3 | 32.3 | -90.6 | 177.1 | 173.5 | 178.1 | 0 | 109.2 | ||||
| 27 | D | 34.2 | Very low | 31.2 | Very low | 127 Ų | 127 | 141.9 Ų | 141.9 | 68% | 0.679 | 76% | 0.761 | S | S | * | * | 79 | 121 | 88.4 | -57.7 | -20.8 | 0 | 0 | 0 | 114.6 | |||||
| 28 | E | 34.8 | Very low | 31.1 | Very low | 181 Ų | 181 | 142.2 Ų | 142.2 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | -159.7 | 102.9 | 118.6 | -69.2 | -145.8 | 176.1 | 0 | 0 | 106 | |||||
| 29 | E | 35.1 | Very low | 31.2 | Very low | 171 Ų | 171 | 145.8 Ų | 145.8 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | 72.9 | 137.7 | 91 | -82.3 | -166.3 | -174 | 0 | 0 | 114.3 | |||||
| 30 | E | 33 | Very low | 31.3 | Very low | 158 Ų | 158 | 149 Ų | 149 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | cis | -172.5 | 151.5 | -18.6 | -143.8 | -167.5 | -173.1 | 0 | 0 | 108.9 | ||||
| 31 | S | 30.6 | Very low | 31.2 | Very low | 99 Ų | 99 | 147.9 Ų | 147.9 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | trans | 77 | 150.6 | 141.8 | 85.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 32 | S | 30.9 | Very low | 31.1 | Very low | 99 Ų | 99 | 146.8 Ų | 146.8 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | cis | -175.2 | 131.7 | -17.1 | -92.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 33 | I | 31.3 | Very low | 31 | Very low | 152 Ų | 152 | 148.2 Ų | 148.2 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | trans | 17 | 129.7 | 132.1 | -38.6 | 175.8 | 0 | 0 | 0 | 119.4 | ||||
| 34 | K | 28.4 | Very low | 30.8 | Very low | 195 Ų | 195 | 148.1 Ų | 148.1 | 85% | 0.848 | 76% | 0.762 | S | S | * | * | 172.1 | 146.9 | 113.7 | -100.1 | -172.5 | 173.7 | -179 | 0 | 117.3 | |||||
| 35 | E | 29 | Very low | 30.8 | Very low | 169 Ų | 169 | 150.9 Ų | 150.9 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | trans | -57.3 | 156.8 | 169.2 | -59.3 | 164.6 | 135.1 | 0 | 0 | 114.1 | ||||
| 36 | E | 29.1 | Very low | 30.8 | Very low | 187 Ų | 187 | 151.6 Ų | 151.6 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | 171.7 | 153.1 | 110 | -99.5 | -173 | 172.8 | 0 | 0 | 114 | |||||
| 37 | I | 32.1 | Very low | 30.6 | Very low | 147 Ų | 147 | 150.8 Ų | 150.8 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | trans | -65.5 | 153.7 | 177.9 | -65.8 | 154.1 | 0 | 0 | 0 | 112.2 | ||||
| 38 | K | 27.6 | Very low | 30.5 | Very low | 206 Ų | 206 | 154.1 Ų | 154.1 | 90% | 0.896 | 78% | 0.775 | S | S | * | * | trans | -163 | 124.2 | 139.4 | -106.5 | 164.8 | -166.1 | -177 | 0 | 113.6 | ||||
| 39 | E | 32.8 | Very low | 30.5 | Very low | 172 Ų | 172 | 151.7 Ų | 151.7 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -71.7 | 158.1 | 157.3 | -71 | 177.8 | 135.6 | 0 | 0 | 111.2 | ||||
| 40 | D | 29.9 | Very low | 30.3 | Very low | 171 Ų | 171 | 153.1 Ų | 153.1 | 91% | 0.914 | 78% | 0.778 | S | S | * | * | trans | 161.3 | 137.4 | 144.9 | -83.2 | -25.6 | 0 | 0 | 0 | 106.2 | ||||
| 41 | G | 26.1 | Very low | 30.1 | Very low | 67 Ų | 67 | 152.9 Ų | 152.9 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | cis | 148.8 | 154.8 | 15.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 42 | D | 28.8 | Very low | 29.9 | Very low | 129 Ų | 129 | 157.2 Ų | 157.2 | 69% | 0.69 | 79% | 0.794 | S | S | * | * | trans | 89.6 | 108.9 | 165.6 | -66.8 | -23.4 | 0 | 0 | 0 | 120.3 | ||||
| 43 | K | 30.1 | Very low | 29.9 | Very low | 167 Ų | 167 | 161.2 Ų | 161.2 | 73% | 0.726 | 80% | 0.799 | S | S | * | * | 79 | 141 | 75.4 | -75.8 | -172.6 | -161.9 | 113.6 | 0 | 111.8 | |||||
| 44 | E | 31.1 | Very low | 30 | Very low | 148 Ų | 148 | 159.8 Ų | 159.8 | 69% | 0.692 | 80% | 0.799 | S | S | * | * | cis | -175.3 | 167.6 | 8.9 | -121.2 | 177.3 | -153.1 | 0 | 0 | 110.2 | ||||
| 45 | N | 28.3 | Very low | 30.1 | Very low | 122 Ų | 122 | 159.4 Ų | 159.4 | 65% | 0.652 | 80% | 0.797 | S | S | * | * | trans | 97.5 | 105.1 | 145.5 | -75 | -38 | 0 | 0 | 0 | 125.8 | ||||
| 46 | M | 29.2 | Very low | 30.3 | Very low | 152 Ų | 152 | 161.6 Ų | 161.6 | 75% | 0.749 | 81% | 0.805 | S | S | * | * | 69.6 | 137.5 | 115.7 | -69.6 | -173.2 | 82.7 | 0 | 0 | 126 | |||||
| 47 | D | 30.3 | Very low | 30.4 | Very low | 147 Ų | 147 | 160.5 Ų | 160.5 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | trans | 103.7 | 130.8 | 145.9 | -68.6 | -35.7 | 0 | 0 | 0 | 124.3 | ||||
| 48 | K | 32.5 | Very low | 30.4 | Very low | 198 Ų | 198 | 159.6 Ų | 159.6 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | trans | -88.6 | 166.8 | -177.8 | -72.1 | 176.7 | -179.1 | 169.4 | 0 | 111.2 | ||||
| 49 | P | 34.8 | Very low | 30.7 | Very low | 130 Ų | 130 | 154.5 Ų | 154.5 | 84% | 0.844 | 78% | 0.783 | S | S | * | * | -156.7 | -174.7 | 54.2 | 39.9 | -13.9 | 0 | 0 | 0 | 119.9 | |||||
| 50 | K | 30.5 | Very low | 30.7 | Very low | 200 Ų | 200 | 156.1 Ų | 156.1 | 87% | 0.87 | 79% | 0.788 | S | S | * | * | trans | -47.8 | 145.7 | -173.7 | -61.5 | 163.5 | 176.6 | 168.7 | 0 | 119.1 | ||||
| 51 | V | 29.5 | Very low | 30.9 | Very low | 153 Ų | 153 | 154.5 Ų | 154.5 | 93% | 0.927 | 78% | 0.777 | S | S | * | * | trans | -142.7 | 140.5 | 145.6 | -179.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 52 | K | 26.8 | Very low | 31.1 | Very low | 190 Ų | 190 | 157.5 Ų | 157.5 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | trans | -100.3 | 135.3 | -176.9 | -71.8 | 172.9 | 173.1 | 173.7 | 0 | 112.4 | ||||
| 53 | K | 30.2 | Very low | 31.2 | Very low | 184 Ų | 184 | 161.3 Ų | 161.3 | 80% | 0.8 | 79% | 0.789 | S | S | * | * | trans | 62.9 | 155.6 | 140.8 | -83 | -172.9 | -173.1 | -179.7 | 0 | 119.4 | ||||
| 54 | P | 32.2 | Very low | 31.3 | Very low | 122 Ų | 122 | 161 Ų | 161 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | cis | -137.9 | 157.6 | 40.2 | 37.4 | -16.8 | 0 | 0 | 0 | 119.5 | ||||
| 55 | K | 32.3 | Very low | 31.2 | Very low | 186 Ų | 186 | 163.1 Ų | 163.1 | 81% | 0.809 | 80% | 0.801 | S | S | * | * | trans | -72.9 | 140.2 | 160.7 | -72 | 178.6 | 171.2 | -175.2 | 0 | 109.5 | ||||
| 56 | K | 32.7 | Very low | 31.2 | Very low | 216 Ų | 216 | 162 Ų | 162 | 94% | 0.939 | 81% | 0.809 | S | S | * | * | trans | -112.7 | 122.8 | 153 | -82.6 | -176.1 | 176.4 | -179.8 | 0 | 108.5 | ||||
| 57 | H | 30.1 | Very low | 31 | Very low | 164 Ų | 164 | 166.1 Ų | 166.1 | 76% | 0.759 | 82% | 0.816 | S | S | * | * | trans | -130.7 | 146.5 | 169.8 | 178.6 | 66.3 | 0 | 0 | 0 | 107.4 | ||||
| 58 | N | 32.6 | Very low | 31.1 | Very low | 128 Ų | 128 | 165.6 Ų | 165.6 | 68% | 0.684 | 82% | 0.817 | S | S | * | * | trans | 137 | 157.3 | 161.9 | -81.1 | 2.2 | 0 | 0 | 0 | 110.1 | ||||
| 59 | P | 33.7 | Very low | 30.8 | Very low | 98 Ų | 98 | 163.2 Ų | 163.2 | 64% | 0.636 | 81% | 0.813 | S | S | * | * | S | Bend | cis | -152.8 | 39.8 | 27.3 | 40.3 | -16.1 | 0 | 0 | 0 | 117 | ||
| 60 | F | 34 | Very low | 30.7 | Very low | 207 Ų | 207 | 166 Ų | 166 | 91% | 0.908 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -117.5 | 56.6 | 177.2 | -77.7 | -75.1 | 0 | 0 | 0 | 114 | ||
| 61 | M | 32.4 | Very low | 30.5 | Very low | 137 Ų | 137 | 165.5 Ų | 165.5 | 68% | 0.675 | 81% | 0.812 | S | S | * | * | trans | -120.1 | 130.8 | 159.5 | -149 | -172.9 | -164.2 | 0 | 0 | 107.7 | R63 | M61-R63 HydrophobicContact CE-CG 4.43Å; M61-R63 HydrophobicContact SD-CB 4.17Å; M61-R63 HydrophobicContact SD-CG 4.29Å | ||
| 62 | P | 30.6 | Very low | 30.3 | Very low | 130 Ų | 130 | 165.2 Ų | 165.2 | 84% | 0.844 | 81% | 0.805 | S | S | * | * | trans | -92.7 | 122.9 | 147.5 | 3.1 | 15.7 | 0 | 0 | 0 | 107.9 | ||||
| 63 | R | 31.7 | Very low | 30.3 | Very low | 208 Ų | 208 | 166.9 Ų | 166.9 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | trans | -128 | 114.1 | 173 | -151.2 | -170.5 | -166.6 | -167.4 | 4.9 | 107.6 | M61 | M61-R63 HydrophobicContact CE-CG 4.43Å; M61-R63 HydrophobicContact SD-CB 4.17Å; M61-R63 HydrophobicContact SD-CG 4.29Å | ||
| 64 | I | 32.1 | Very low | 30.6 | Very low | 162 Ų | 162 | 163.3 Ų | 163.3 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | trans | -143.9 | 100.3 | 167.3 | -52.9 | 179.4 | 0 | 0 | 0 | 105.7 | ||||
| 65 | K | 28 | Very low | 30.2 | Very low | 192 Ų | 192 | 164.1 Ų | 164.1 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | 65.8 | 103.9 | 91 | -68.6 | -170.4 | -178.2 | -178.3 | 0 | 115 | |||||
| 66 | A | 29.7 | Very low | 29.9 | Very low | 99 Ų | 99 | 158.8 Ų | 158.8 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | 31.5 | 120 | 138.6 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 67 | R | 25.4 | Very low | 29.6 | Very low | 238 Ų | 238 | 153.5 Ų | 153.5 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | -166.1 | 134.4 | 125.7 | -122.2 | 179.2 | -169.5 | -179.7 | 2.3 | 111.9 | |||||
| 68 | V | 30.7 | Very low | 29.5 | Very low | 136 Ų | 136 | 150.2 Ų | 150.2 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | trans | -68.8 | 135.1 | 161.3 | 170.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 69 | I | 27.9 | Very low | 29.3 | Very low | 148 Ų | 148 | 148.7 Ų | 148.7 | 76% | 0.759 | 80% | 0.801 | S | S | * | * | trans | -161.3 | 127.4 | 150.2 | -90.5 | 143.7 | 0 | 0 | 0 | 107.7 | ||||
| 70 | Q | 30.7 | Very low | 29.2 | Very low | 188 Ų | 188 | 152.4 Ų | 152.4 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | trans | -63.7 | 139 | 168.1 | -83.6 | 162.2 | -43.7 | 0 | 0 | 111.8 | ||||
| 71 | K | 26.5 | Very low | 28.9 | Very low | 190 Ų | 190 | 149.9 Ų | 149.9 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | trans | -163.4 | 117.1 | 141.7 | -151.7 | 168.7 | -179.7 | 175.8 | 0 | 112.5 | ||||
| 72 | N | 26.8 | Very low | 29.1 | Very low | 146 Ų | 146 | 152.1 Ų | 152.1 | 78% | 0.781 | 81% | 0.814 | S | S | * | * | trans | 41 | 131.2 | 146.4 | -60.2 | 0.4 | 0 | 0 | 0 | 122.9 | ||||
| 73 | R | 26.8 | Very low | 29.2 | Very low | 225 Ų | 225 | 154.2 Ų | 154.2 | 85% | 0.849 | 81% | 0.813 | S | S | * | * | trans | -53.5 | 163.7 | 161.1 | -124.7 | -177 | -133 | 170.3 | 2.1 | 113.2 | ||||
| 74 | P | 34.8 | Very low | 29.5 | Very low | 109 Ų | 109 | 150 Ų | 150 | 71% | 0.708 | 81% | 0.812 | S | S | * | * | -137.4 | 133.4 | 73.3 | 24.5 | -2.2 | 0 | 0 | 0 | 113.6 | |||||
| 75 | D | 25.8 | Very low | 29.7 | Very low | 140 Ų | 140 | 151.7 Ų | 151.7 | 75% | 0.749 | 82% | 0.816 | S | S | * | * | 100.1 | 127.3 | 98.1 | -73.2 | -19.4 | 0 | 0 | 0 | 111.8 | |||||
| 76 | G | 25.3 | Very low | 30.4 | Very low | 74 Ų | 74 | 151.4 Ų | 151.4 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | trans | 145.7 | 75.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 77 | A | 26.4 | Very low | 30.8 | Very low | 104 Ų | 104 | 149.2 Ų | 149.2 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | 46.4 | 110.2 | 142.2 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 78 | A | 27.7 | Very low | 31.3 | Very low | 95 Ų | 95 | 142.6 Ų | 142.6 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | 172.9 | 94.2 | 110.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | E80 | A78-E80 PolarHBondContact O-N 3.07Š| |||
| 79 | A | 28.4 | Very low | 31.7 | Very low | 97 Ų | 97 | 142.6 Ų | 142.6 | 80% | 0.802 | 76% | 0.76 | S | S | * | * | trans | -80.2 | 105.5 | 164 | 0 | 0 | 0 | 0 | 0 | 106.4 | N81 | A79-N81 PolarHBondContact O-N 3.35Å; A79-N81 VanDerWaalsContact O-N 3.17Å | ||
| 80 | E | 30.9 | Very low | 32.5 | Very low | 176 Ų | 176 | 139.1 Ų | 139.1 | 82% | 0.822 | 74% | 0.743 | S | S | * | * | trans | -65.6 | 108 | 164.1 | -68.7 | 178.3 | 163.7 | 0 | 0 | 106.8 | A78 E82 | A78-E80 PolarHBondContact O-N 3.07Å; E80-E82 VanDerWaalsContact C-N 3.32Å; E80-E82 PolarHBondContact O-N 3.47Å; E80-E82 VanDerWaalsContact O-N 3.07Å | ||
| 81 | N | 29 | Very low | 33.1 | Very low | 153 Ų | 153 | 137 Ų | 137 | 82% | 0.818 | 73% | 0.727 | S | S | * | * | trans | -67.2 | 97.8 | 160.9 | -87.6 | -35.3 | 0 | 0 | 0 | 106.5 | A79 E83 | A79-N81 PolarHBondContact O-N 3.35Å; A79-N81 VanDerWaalsContact O-N 3.17Å; N81-E83 VanDerWaalsContact C-N 3.32Å; N81-E83 PolarHBondContact O-N 3.15Å | ||
| 82 | E | 36.2 | Very low | 34 | Very low | 185 Ų | 185 | 129.9 Ų | 129.9 | 86% | 0.864 | 70% | 0.697 | S | S | * | * | trans | -67.1 | 94.2 | 162.6 | -72.5 | -174.5 | 159.3 | 0 | 0 | 107.9 | E80 | E80-E82 VanDerWaalsContact C-N 3.32Å; E80-E82 PolarHBondContact O-N 3.47Å; E80-E82 VanDerWaalsContact O-N 3.07Å | ||
| 83 | E | 33.5 | Very low | 35 | Very low | 174 Ų | 174 | 127 Ų | 127 | 81% | 0.813 | 68% | 0.679 | S | S | * | * | trans | -66.2 | 142.9 | 162.7 | -80.2 | -176 | 153.4 | 0 | 0 | 109.7 | N81 Q85 | N81-E83 VanDerWaalsContact C-N 3.32Å; N81-E83 PolarHBondContact O-N 3.15Å; E83-Q85 PolarHBondContact O-N 3.07Å | ||
| 84 | P | 36.5 | Very low | 36.1 | Very low | 119 Ų | 119 | 120.6 Ų | 120.6 | 77% | 0.773 | 66% | 0.662 | S | S | * | * | trans | -68.2 | 128.4 | 178.8 | 1.9 | 10.5 | 0 | 0 | 0 | 110.3 | R86 | P84-R86 PolarHBondContact O-N 3.25Å; P84-R86 VanDerWaalsContact O-N 3.15Å | ||
| 85 | Q | 37.8 | Very low | 36.5 | Very low | 197 Ų | 197 | 116.4 Ų | 116.4 | 92% | 0.921 | 63% | 0.634 | S | S | * | * | trans | -58.5 | 115.8 | 172.5 | -72.7 | -173.7 | -41.6 | 0 | 0 | 110.6 | E83 | E83-Q85 PolarHBondContact O-N 3.07Š| ||
| 86 | R | 41.3 | Very low | 37.4 | Very low | 187 Ų | 187 | 118 Ų | 118 | 71% | 0.706 | 63% | 0.629 | S | S | * | * | trans | -68.5 | 142.1 | 176.9 | -63.4 | -174 | -176.4 | -173.5 | 0.5 | 111.6 | P84 D90 D94 | P84-R86 PolarHBondContact O-N 3.25Å; P84-R86 VanDerWaalsContact O-N 3.15Å; R86-D90 HydrophobicContact CB-CB 4.14Å; R86-D94 IonicContact NH1-OD2 3.88Å | ||
| 87 | S | 38.8 | Very low | 38.2 | Very low | 53 Ų | 53 | 120.6 Ų | 120.6 | 37% | 0.371 | 62% | 0.623 | S | S | . | * | trans | -78.2 | 162.4 | -178.7 | 73.8 | 0 | 0 | 0 | 0 | 112.6 | F89 D90 R91 | S87-F89 PolarHBondContact O-N 3.42Å; S87-F89 PolarHBondContact OG-N 3.11Å; S87-D90 WeakPolarHBondContact CB-OD2 3.16Å; S87-D90 PolarHBondContact N-OD2 3.05Å; S87-D90 WeakPolarHBondContact O-CB 3.5Å; S87-D90 PolarHBondContact O-N 3.29Å; S87-D90 VanDerWaalsContact O-N 3.08Å; S87-D90 PolarHBondContact OG-N 3.43Å; S87-D90 VanDerWaalsContact OG-N 3.15Å; S87-D90 PolarHBondContact OG-OD2 3.06Å; S87-R91 PolarHBondContact O-N 3.3Å | ||
| 88 | L | 35.7 | Very low | 38.6 | Very low | 98 Ų | 98 | 124.3 Ų | 124.3 | 51% | 0.513 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -58 | -29.5 | 171.9 | -95.1 | 170 | 0 | 0 | 0 | 112.4 | L92 | L88-L92 WeakPolarHBondContact O-CB 3.3Å; L88-L92 PolarHBondContact O-N 3.02Å |
| 89 | F | 37.9 | Very low | 39 | Very low | 137 Ų | 137 | 123.8 Ų | 123.8 | 60% | 0.601 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -69.2 | -43.2 | 174.7 | -168.1 | -92.5 | 0 | 0 | 0 | 110.8 | S87 R91 L92 E93 | S87-F89 PolarHBondContact O-N 3.42Å; S87-F89 PolarHBondContact OG-N 3.11Å; F89-R91 VanDerWaalsContact C-N 3.3Å; F89-R91 PolarHBondContact O-N 2.97Å; F89-L92 PolarHBondContact O-N 3.37Å; F89-L92 VanDerWaalsContact O-N 3.09Å; F89-E93 PolarHBondContact O-N 3.23Å |
| 90 | D | 44.8 | Very low | 39.3 | Very low | 74 Ų | 74 | 124.8 Ų | 124.8 | 40% | 0.396 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -62.6 | -37.6 | 175 | -56.3 | -45 | 0 | 0 | 0 | 111.7 | R86 S87 E93 D94 | R86-D90 HydrophobicContact CB-CB 4.14Å; S87-D90 WeakPolarHBondContact CB-OD2 3.16Å; S87-D90 PolarHBondContact N-OD2 3.05Å; S87-D90 WeakPolarHBondContact O-CB 3.5Å; S87-D90 PolarHBondContact O-N 3.29Å; S87-D90 VanDerWaalsContact O-N 3.08Å; S87-D90 PolarHBondContact OG-N 3.43Å; S87-D90 VanDerWaalsContact OG-N 3.15Å; S87-D90 PolarHBondContact OG-OD2 3.06Å; D90-E93 PolarHBondContact O-N 3.33Å; D90-D94 PolarHBondContact O-N 3.04Å; D90-D94 VanDerWaalsContact O-N 3.11Å |
| 91 | R | 44.8 | Very low | 39.6 | Very low | 145 Ų | 145 | 118.7 Ų | 118.7 | 55% | 0.547 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -68.7 | -32.7 | 172.8 | -88.3 | 179.9 | 159.3 | -169 | -6.1 | 113.4 | S87 F89 E93 D94 L95 | S87-R91 PolarHBondContact O-N 3.3Å; F89-R91 VanDerWaalsContact C-N 3.3Å; F89-R91 PolarHBondContact O-N 2.97Å; R91-E93 VanDerWaalsContact C-N 3.33Å; R91-D94 PolarHBondContact O-N 2.92Å; R91-L95 WeakPolarHBondContact O-CG 3.42Å; R91-L95 PolarHBondContact O-N 3.35Å |
| 92 | L | 44.1 | Very low | 39.7 | Very low | 39 Ų | 39 | 118 Ų | 118 | 20% | 0.204 | 60% | 0.6 | C | S | . | * | H | α-helix | trans | -74.3 | -29.4 | 176 | -173.4 | 63.8 | 0 | 0 | 0 | 111.2 | L88 F89 L95 R96 E162 | L88-L92 WeakPolarHBondContact O-CB 3.3Å; L88-L92 PolarHBondContact O-N 3.02Å; F89-L92 PolarHBondContact O-N 3.37Å; F89-L92 VanDerWaalsContact O-N 3.09Å; L92-L95 HydrophobicContact CD1-CD1 3.85Å; L92-L95 WeakPolarHBondContact O-CB 3.47Å; L92-L95 PolarHBondContact O-N 2.91Å; L92-R96 PolarHBondContact O-N 3.48Å; L92-R96 VanDerWaalsContact O-N 3.14Å; L92-E162 HydrophobicContact CD1-CB 4.06Å; L92-E162 HydrophobicContact CD2-CB 3.87Å; L92-E162 HydrophobicContact CD2-CG 3.63Å; L92-E162 HydrophobicContact CG-CB 4.5Å |
| 93 | E | 48.5 | Very low | 40.1 | Very low | 86 Ų | 86 | 113.8 Ų | 113.8 | 40% | 0.402 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -69 | -37.6 | 171.2 | -153.8 | 66.9 | -142.1 | 0 | 0 | 111.3 | F89 D90 R91 L95 R96 | F89-E93 PolarHBondContact O-N 3.23Å; D90-E93 PolarHBondContact O-N 3.33Å; R91-E93 VanDerWaalsContact C-N 3.33Å; E93-L95 PolarHBondContact O-N 3.24Å; E93-R96 CarbonylContact O-C 3.37Å; E93-R96 WeakPolarHBondContact O-CA 3.45Å; E93-R96 WeakPolarHBondContact O-CB 3.41Å; E93-R96 PolarHBondContact O-N 2.95Å; E93-R96 WeakPolarHBondContact OE1-CD 3.38Å; E93-R96 IonicContact OE1-NH1 2.82Å |
| 94 | D | 49.3 | Very low | 40.5 | Very low | 90 Ų | 90 | 110.7 Ų | 110.7 | 48% | 0.481 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60.8 | -31.6 | 170.5 | -72 | -24.7 | 0 | 0 | 0 | 112 | R86 D90 R91 R96 | R86-D94 IonicContact NH1-OD2 3.88Å; D90-D94 PolarHBondContact O-N 3.04Å; D90-D94 VanDerWaalsContact O-N 3.11Å; R91-D94 PolarHBondContact O-N 2.92Å; D94-R96 VanDerWaalsContact C-N 3.3Å |
| 95 | L | 43.4 | Very low | 41 | Very low | 22 Ų | 22 | 107.6 Ų | 107.6 | 12% | 0.115 | 56% | 0.559 | C | S | . | * | H | α-helix | trans | -72.2 | -26.2 | 173 | -63.4 | 172.2 | 0 | 0 | 0 | 111.9 | R91 L92 E93 M97 N397 R400 | R91-L95 WeakPolarHBondContact O-CG 3.42Å; R91-L95 PolarHBondContact O-N 3.35Å; L92-L95 HydrophobicContact CD1-CD1 3.85Å; L92-L95 WeakPolarHBondContact O-CB 3.47Å; L92-L95 PolarHBondContact O-N 2.91Å; E93-L95 PolarHBondContact O-N 3.24Å; L95-M97 VanDerWaalsContact C-N 3.26Å; L95-M97 PolarHBondContact O-N 3.46Å; L95-M97 VanDerWaalsContact O-N 3.11Å; L95-N397 HydrophobicContact CD2-CB 3.93Å; L95-N397 VanDerWaalsContact CD2-ND2 3.33Å; L95-N397 WeakPolarHBondContact CD2-ND2 3.34Å; L95-N397 WeakPolarHBondContact CD2-OD1 3.46Å; L95-R400 PolarHBondContact O-NH1 3.37Å; L95-R400 PolarHBondContact O-NH2 3.45Å |
| 96 | R | 45.7 | Very low | 41.3 | Very low | 174 Ų | 174 | 104.5 Ų | 104.5 | 66% | 0.657 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -86.8 | 65 | 176.9 | -161.4 | -172.4 | -163.4 | -168.2 | 2.8 | 110.1 | L92 E93 D94 E98 | L92-R96 PolarHBondContact O-N 3.48Å; L92-R96 VanDerWaalsContact O-N 3.14Å; E93-R96 CarbonylContact O-C 3.37Å; E93-R96 WeakPolarHBondContact O-CA 3.45Å; E93-R96 WeakPolarHBondContact O-CB 3.41Å; E93-R96 PolarHBondContact O-N 2.95Å; E93-R96 WeakPolarHBondContact OE1-CD 3.38Å; E93-R96 IonicContact OE1-NH1 2.82Å; D94-R96 VanDerWaalsContact C-N 3.3Å; R96-E98 PolarHBondContact O-N 3.08Å; R96-E98 VanDerWaalsContact O-N 3.17Å |
| 97 | M | 41.6 | Very low | 42.3 | Very low | 127 Ų | 127 | 100.5 Ų | 100.5 | 63% | 0.626 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -55.4 | 121.7 | 170.8 | -72.8 | -82.8 | 177.5 | 0 | 0 | 109.8 | L95 | L95-M97 VanDerWaalsContact C-N 3.26Å; L95-M97 PolarHBondContact O-N 3.46Å; L95-M97 VanDerWaalsContact O-N 3.11Å |
| 98 | E | 33.9 | Very low | 43.3 | Very low | 182 Ų | 182 | 100.1 Ų | 100.1 | 85% | 0.85 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 136.2 | 169.7 | -78.4 | -173.2 | 153.8 | 0 | 0 | 109.2 | R96 S100 | R96-E98 PolarHBondContact O-N 3.08Å; R96-E98 VanDerWaalsContact O-N 3.17Å; E98-S100 PolarHBondContact O-N 3.35Å |
| 99 | P | 36.3 | Very low | 44.6 | Very low | 85 Ų | 85 | 101 Ų | 101 | 55% | 0.552 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 129.9 | 177.1 | 24.1 | -30.9 | 0 | 0 | 0 | 109.1 | G101 E103 | P99-G101 PolarHBondContact O-N 3.23Å; P99-E103 HydrophobicContact CB-CG 4.45Å |
| 100 | S | 35.1 | Very low | 46.7 | Very low | 118 Ų | 118 | 98.4 Ų | 98.4 | 83% | 0.825 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -68.3 | 96.8 | 177.3 | 54 | 0 | 0 | 0 | 0 | 109.6 | E98 | E98-S100 PolarHBondContact O-N 3.35Š|
| 101 | G | 36.3 | Very low | 48.5 | Very low | 47 Ų | 47 | 96 Ų | 96 | 49% | 0.485 | 51% | 0.514 | S | S | . | . | S | Bend | trans | 88.2 | 168.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114 | P99 E103 | P99-G101 PolarHBondContact O-N 3.23Å; G101-E103 VanDerWaalsContact C-N 3.27Å; G101-E103 PolarHBondContact O-N 3.05Å |
| 102 | P | 32.5 | Very low | 50.5 | Low | 140 Ų | 140 | 90.9 Ų | 90.9 | 91% | 0.909 | 50% | 0.496 | S | S | * | . | trans | -68.1 | 87 | -177.6 | 29.5 | -32.4 | 0 | 0 | 0 | 109.4 | D104 | P102-D104 PolarHBondContact O-N 2.65Š| ||
| 103 | E | 43.6 | Very low | 52.6 | Low | 96 Ų | 96 | 93 Ų | 93 | 45% | 0.449 | 51% | 0.508 | S | S | . | . | trans | -68.5 | 106.7 | 161.4 | -70.6 | -169.5 | 138.5 | 0 | 0 | 106.3 | P99 G101 G105 | P99-E103 HydrophobicContact CB-CG 4.45Å; G101-E103 VanDerWaalsContact C-N 3.27Å; G101-E103 PolarHBondContact O-N 3.05Å; E103-G105 PolarHBondContact O-N 3.43Å | ||
| 104 | D | 42.4 | Very low | 54.6 | Low | 108 Ų | 108 | 91.1 Ų | 91.1 | 58% | 0.578 | 50% | 0.497 | S | S | * | . | trans | -55.8 | 134.3 | 175.5 | -151.9 | -11.4 | 0 | 0 | 0 | 107.9 | P102 Q106 D107 | P102-D104 PolarHBondContact O-N 2.65Å; D104-Q106 PolarHBondContact O-N 2.88Å; D104-D107 PolarHBondContact O-N 2.81Å | ||
| 105 | G | 47.2 | Very low | 56.6 | Low | 54 Ų | 54 | 88.6 Ų | 88.6 | 56% | 0.557 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -57.9 | -14 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | E103 V108 | E103-G105 PolarHBondContact O-N 3.43Å; G105-V108 WeakPolarHBondContact O-CG2 3.42Å |
| 106 | Q | 43.5 | Very low | 58.8 | Low | 133 Ų | 133 | 93.3 Ų | 93.3 | 62% | 0.621 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.7 | -41 | 169.9 | -126.2 | 91.5 | 25.3 | 0 | 0 | 113.3 | D104 V108 E109 D110 | D104-Q106 PolarHBondContact O-N 2.88Å; Q106-V108 VanDerWaalsContact C-N 3.34Å; Q106-V108 PolarHBondContact O-N 3.43Å; Q106-E109 PolarHBondContact O-N 3.08Å; Q106-D110 WeakPolarHBondContact O-CB 3.46Å; Q106-D110 PolarHBondContact O-N 3.39Å; Q106-D110 VanDerWaalsContact O-N 3.12Å |
| 107 | D | 63.4 | Low | 60.9 | Low | 103 Ų | 103 | 90.1 Ų | 90.1 | 55% | 0.551 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -69.8 | -30.2 | -173.1 | -92.6 | -18.3 | 0 | 0 | 0 | 112.7 | D104 L111 | D104-D107 PolarHBondContact O-N 2.81Å; D107-L111 WeakPolarHBondContact O-CB 3.25Å; D107-L111 PolarHBondContact O-N 2.72Å; D107-L111 VanDerWaalsContact O-N 3.15Å |
| 108 | V | 58.9 | Low | 63.1 | Low | 44 Ų | 44 | 85.4 Ų | 85.4 | 27% | 0.267 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -81.9 | -29.3 | -179.3 | -92.4 | 0 | 0 | 0 | 0 | 113.9 | G105 Q106 M112 K155 | G105-V108 WeakPolarHBondContact O-CG2 3.42Å; Q106-V108 VanDerWaalsContact C-N 3.34Å; Q106-V108 PolarHBondContact O-N 3.43Å; V108-M112 PolarHBondContact O-N 3.09Å; V108-K155 PolarHBondContact O-NZ 2.83Å |
| 109 | E | 62.8 | Low | 65.4 | Low | 116 Ų | 116 | 82.9 Ų | 82.9 | 54% | 0.542 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -74.4 | -46.1 | 172.7 | -163.4 | 67.2 | -163.6 | 0 | 0 | 109.4 | Q106 L111 M112 D113 | Q106-E109 PolarHBondContact O-N 3.08Å; E109-L111 PolarHBondContact O-N 3.14Å; E109-M112 PolarHBondContact O-N 3.01Å; E109-D113 PolarHBondContact O-N 2.94Å |
| 110 | D | 81.6 | Confident | 67.6 | Low | 84 Ų | 84 | 84 Ų | 84 | 45% | 0.449 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -55.6 | -35.1 | 173.8 | -80 | 9.7 | 0 | 0 | 0 | 112.2 | Q106 W114 | Q106-D110 WeakPolarHBondContact O-CB 3.46Å; Q106-D110 PolarHBondContact O-N 3.39Å; Q106-D110 VanDerWaalsContact O-N 3.12Å; D110-W114 VanDerWaalsContact O-CB 3.28Å; D110-W114 WeakPolarHBondContact O-CB 3.32Å; D110-W114 PolarHBondContact O-N 3.5Å |
| 111 | L | 83.8 | Confident | 69.9 | Low | 24 Ų | 24 | 80.5 Ų | 80.5 | 13% | 0.126 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -69.5 | -39.3 | 177.2 | -174.8 | 68 | 0 | 0 | 0 | 113.1 | D107 E109 W114 W115 K148 R151 V152 | D107-L111 WeakPolarHBondContact O-CB 3.25Å; D107-L111 PolarHBondContact O-N 2.72Å; D107-L111 VanDerWaalsContact O-N 3.15Å; E109-L111 PolarHBondContact O-N 3.14Å; L111-W114 HydrophobicContact CD1-CE3 4.26Å; L111-W115 PolarHBondContact O-N 3.01Å; L111-K148 HydrophobicContact CD1-CB 4.1Å; L111-K148 HydrophobicContact CD1-CG 4.24Å; L111-R151 HydrophobicContact CD1-CB 4.43Å; L111-R151 HydrophobicContact CD2-CB 3.77Å; L111-V152 HydrophobicContact CD1-CG2 3.94Å; L111-V152 HydrophobicContact CD2-CG2 4.11Å; L111-V152 HydrophobicContact CG-CG2 3.72Å |
| 112 | M | 86.1 | Confident | 71.7 | Confident | 36 Ų | 36 | 85.5 Ų | 85.5 | 18% | 0.177 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -77.4 | -36 | 178.6 | -72.4 | -60.4 | -65.8 | 0 | 0 | 111.6 | V108 E109 W114 W115 N116 V152 K155 L156 | V108-M112 PolarHBondContact O-N 3.09Å; E109-M112 PolarHBondContact O-N 3.01Å; M112-W114 VanDerWaalsContact C-N 3.31Å; M112-W115 WeakPolarHBondContact O-CB 3.27Å; M112-W115 PolarHBondContact O-N 3.42Å; M112-W115 VanDerWaalsContact O-N 3.15Å; M112-N116 VanDerWaalsContact O-CG 3.26Å; M112-N116 PolarHBondContact O-N 2.96Å; M112-N116 PolarHBondContact O-ND2 2.82Å; M112-V152 HydrophobicContact SD-CG1 4.45Å; M112-K155 HydrophobicContact CG-CD 4.07Å; M112-K155 VanDerWaalsContact CG-NZ 3.34Å; M112-K155 HydrophobicContact SD-CD 4.1Å; M112-L156 HydrophobicContact CE-CD2 4.18Å |
| 113 | D | 88.8 | Confident | 72.9 | Confident | 85 Ų | 85 | 86 Ų | 86 | 46% | 0.455 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.4 | -43.5 | 169.9 | -81.6 | -10.4 | 0 | 0 | 0 | 111.1 | E109 W115 N116 T117 | E109-D113 PolarHBondContact O-N 2.94Å; D113-W115 PolarHBondContact O-N 3.19Å; D113-N116 PolarHBondContact O-N 3.48Å; D113-T117 WeakPolarHBondContact O-CB 3.41Å; D113-T117 WeakPolarHBondContact O-CG2 3.12Å; D113-T117 PolarHBondContact O-N 3.09Å; D113-T117 VanDerWaalsContact O-N 3.14Å; D113-T117 PolarHBondContact O-OG1 2.81Å |
| 114 | W | 90.2 | Very high | 73.3 | Confident | 45 Ų | 45 | 83.6 Ų | 83.6 | 17% | 0.17 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -57.7 | -48.1 | 170.1 | 171.9 | 80.2 | 0 | 0 | 0 | 111.5 | D110 L111 M112 N116 T117 V118 K145 K148 V152 F273 | D110-W114 VanDerWaalsContact O-CB 3.28Å; D110-W114 WeakPolarHBondContact O-CB 3.32Å; D110-W114 PolarHBondContact O-N 3.5Å; L111-W114 HydrophobicContact CD1-CE3 4.26Å; M112-W114 VanDerWaalsContact C-N 3.31Å; W114-N116 VanDerWaalsContact C-N 3.29Å; W114-N116 PolarHBondContact O-N 2.76Å; W114-T117 CarbonylContact O-C 3.52Å; W114-T117 PolarHBondContact O-N 2.93Å; W114-T117 VanDerWaalsContact O-N 3.11Å; W114-T117 PolarHBondContact O-OG1 3.17Å; W114-V118 HydrophobicContact CD2-CB 4.38Å; W114-V118 HydrophobicContact CH2-CG2 4.3Å; W114-V118 HydrophobicContact CZ2-CB 4.09Å; W114-V118 HydrophobicContact CZ2-CG2 3.58Å; W114-V118 WeakPolarHBondContact O-CA 3.26Å; W114-V118 VanDerWaalsContact O-CB 3.31Å; W114-V118 WeakPolarHBondContact O-CB 3.41Å; W114-V118 PolarHBondContact O-N 3.21Å; W114-K145 WeakPolarHBondContact CH2-O 3.27Å; W114-K145 HydrophobicContact CZ2-CB 4.35Å; W114-K145 HydrophobicContact CZ2-CG 4.28Å; W114-K148 HydrophobicContact CD2-CB 4.16Å; W114-K148 HydrophobicContact CD2-CD 3.98Å; W114-K148 HydrophobicContact CE3-CB 3.82Å; W114-K148 HydrophobicContact CE3-CD 4.44Å; W114-K148 HydrophobicContact CG-CD 4.37Å; W114-K148 HydrophobicContact CH2-CB 3.37Å; W114-K148 HydrophobicContact CZ2-CB 3.72Å; W114-K148 HydrophobicContact CZ2-CD 4.05Å; W114-K148 HydrophobicContact CZ3-CB 3.43Å; W114-K148 VanDerWaalsContact CZ3-CB 3.43Å; W114-V152 HydrophobicContact CE3-CG2 4.13Å; W114-V152 HydrophobicContact CZ3-CG2 3.9Å; W114-F273 HydrophobicContact CH2-CE1 4Å; W114-F273 HydrophobicContact CH2-CZ 4.21Å; W114-F273 HydrophobicContact CZ2-CZ 4.37Å |
| 115 | W | 91.8 | Very high | 73.6 | Confident | 38 Ų | 38 | 83 Ų | 83 | 14% | 0.144 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -61.7 | -35.9 | -179.6 | -179.5 | -116.9 | 0 | 0 | 0 | 113.6 | L111 M112 D113 T117 V118 V152 K269 C270 F273 | L111-W115 PolarHBondContact O-N 3.01Å; M112-W115 WeakPolarHBondContact O-CB 3.27Å; M112-W115 PolarHBondContact O-N 3.42Å; M112-W115 VanDerWaalsContact O-N 3.15Å; D113-W115 PolarHBondContact O-N 3.19Å; W115-T117 VanDerWaalsContact C-N 3.28Å; W115-T117 PolarHBondContact O-N 3.24Å; W115-V118 HydrophobicContact CE3-CG1 3.85Å; W115-V118 HydrophobicContact CZ3-CG1 4.07Å; W115-V118 WeakPolarHBondContact O-CG1 2.93Å; W115-V152 HydrophobicContact CB-CG1 4.16Å; W115-V152 HydrophobicContact CB-CG2 3.92Å; W115-V152 HydrophobicContact CD2-CB 4.5Å; W115-V152 HydrophobicContact CD2-CG1 3.7Å; W115-V152 HydrophobicContact CD2-CG2 4.47Å; W115-V152 HydrophobicContact CE3-CG1 4.21Å; W115-V152 HydrophobicContact CG-CG1 3.63Å; W115-V152 HydrophobicContact CG-CG2 4.23Å; W115-K269 HydrophobicContact CZ2-CB 4.44Å; W115-C270 VanDerWaalsContact CH2-CA 3.47Å; W115-C270 HydrophobicContact CH2-CB 3.96Å; W115-C270 HydrophobicContact CZ2-CB 3.73Å; W115-F273 HydrophobicContact CH2-CB 3.77Å; W115-F273 HydrophobicContact CH2-CD1 4.45Å; W115-F273 HydrophobicContact CH2-CG 4.03Å; W115-F273 HydrophobicContact CZ3-CB 4.03Å; W115-F273 AromaticContact CZ3-CD1 3.85Å; W115-F273 HydrophobicContact CZ3-CD1 3.85Å; W115-F273 HydrophobicContact CZ3-CD2 4.22Å; W115-F273 HydrophobicContact CZ3-CE1 4.37Å; W115-F273 AromaticContact CZ3-CG 3.77Å; W115-F273 HydrophobicContact CZ3-CG 3.77Å |
| 116 | N | 89 | Confident | 73.8 | Confident | 120 Ų | 120 | 88.3 Ų | 88.3 | 64% | 0.642 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -75.1 | -20 | 178.7 | -68.4 | -38.6 | 0 | 0 | 0 | 113 | M112 D113 W114 | M112-N116 VanDerWaalsContact O-CG 3.26Å; M112-N116 PolarHBondContact O-N 2.96Å; M112-N116 PolarHBondContact O-ND2 2.82Å; D113-N116 PolarHBondContact O-N 3.48Å; W114-N116 VanDerWaalsContact C-N 3.29Å; W114-N116 PolarHBondContact O-N 2.76Å |
| 117 | T | 89.7 | Confident | 74.1 | Confident | 107 Ų | 107 | 87.4 Ų | 87.4 | 66% | 0.656 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -111.1 | -11.7 | -176.4 | 56.5 | 0 | 0 | 0 | 0 | 113.6 | D113 W114 W115 E119 | D113-T117 WeakPolarHBondContact O-CB 3.41Å; D113-T117 WeakPolarHBondContact O-CG2 3.12Å; D113-T117 PolarHBondContact O-N 3.09Å; D113-T117 VanDerWaalsContact O-N 3.14Å; D113-T117 PolarHBondContact O-OG1 2.81Å; W114-T117 CarbonylContact O-C 3.52Å; W114-T117 PolarHBondContact O-N 2.93Å; W114-T117 VanDerWaalsContact O-N 3.11Å; W114-T117 PolarHBondContact O-OG1 3.17Å; W115-T117 VanDerWaalsContact C-N 3.28Å; W115-T117 PolarHBondContact O-N 3.24Å; T117-E119 PolarHBondContact O-N 3.39Å |
| 118 | V | 88.1 | Confident | 73.8 | Confident | 28 Ų | 28 | 90.5 Ų | 90.5 | 17% | 0.17 | 48% | 0.475 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 123.1 | -176.2 | 70.4 | 0 | 0 | 0 | 0 | 109.9 | W114 W115 F273 | W114-V118 HydrophobicContact CD2-CB 4.38Å; W114-V118 HydrophobicContact CH2-CG2 4.3Å; W114-V118 HydrophobicContact CZ2-CB 4.09Å; W114-V118 HydrophobicContact CZ2-CG2 3.58Å; W114-V118 WeakPolarHBondContact O-CA 3.26Å; W114-V118 VanDerWaalsContact O-CB 3.31Å; W114-V118 WeakPolarHBondContact O-CB 3.41Å; W114-V118 PolarHBondContact O-N 3.21Å; W115-V118 HydrophobicContact CE3-CG1 3.85Å; W115-V118 HydrophobicContact CZ3-CG1 4.07Å; W115-V118 WeakPolarHBondContact O-CG1 2.93Å; V118-F273 HydrophobicContact CG1-CE2 4.31Å; V118-F273 HydrophobicContact CG2-CE2 4.09Å; V118-F273 HydrophobicContact CG2-CZ 3.99Å |
| 119 | E | 81.4 | Confident | 73.6 | Confident | 129 Ų | 129 | 95.4 Ų | 95.4 | 60% | 0.603 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 142.6 | 175.6 | -68.6 | 176.5 | 163 | 0 | 0 | 110.2 | T117 | T117-E119 PolarHBondContact O-N 3.39Š|
| 120 | P | 83.2 | Confident | 73.6 | Confident | 108 Ų | 108 | 93.4 Ų | 93.4 | 70% | 0.701 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -51.9 | 154 | 168.4 | -23.1 | 33.3 | 0 | 0 | 0 | 110.7 | E122 | P120-E122 PolarHBondContact O-N 3.07Š|
| 121 | W | 83.4 | Confident | 73 | Confident | 45 Ų | 45 | 92.9 Ų | 92.9 | 17% | 0.17 | 49% | 0.491 | C | S | . | . | trans | -56.2 | 115.9 | 172.6 | -61.1 | 106.1 | 0 | 0 | 0 | 109.8 | T142 K145 V146 F273 Q276 | W121-T142 HydrophobicContact CH2-CG2 3.89Å; W121-T142 HydrophobicContact CZ3-CG2 3.76Å; W121-K145 HydrophobicContact CH2-CB 3.49Å; W121-K145 VanDerWaalsContact CH2-CB 3.49Å; W121-K145 HydrophobicContact CH2-CD 4.03Å; W121-K145 HydrophobicContact CH2-CG 4.41Å; W121-K145 HydrophobicContact CZ2-CB 4.22Å; W121-K145 HydrophobicContact CZ3-CB 4.12Å; W121-K145 HydrophobicContact CZ3-CD 3.82Å; W121-V146 HydrophobicContact CH2-CG2 4.08Å; W121-V146 HydrophobicContact CZ2-CG2 4.08Å; W121-F273 AromaticContact CD1-CD2 3.88Å; W121-F273 HydrophobicContact CD2-CE2 4.3Å; W121-F273 AromaticContact CE2-CD2 3.97Å; W121-F273 AromaticContact CE2-CE2 3.62Å; W121-F273 AromaticContact CE2-CZ 3.7Å; W121-F273 HydrophobicContact CH2-CZ 4.18Å; W121-F273 HydrophobicContact CZ2-CD1 4.23Å; W121-F273 HydrophobicContact CZ2-CD2 4.45Å; W121-F273 AromaticContact CZ2-CE1 3.64Å; W121-F273 HydrophobicContact CZ2-CE1 3.64Å; W121-F273 AromaticContact CZ2-CE2 3.9Å; W121-F273 HydrophobicContact CZ2-CE2 3.9Å; W121-F273 AromaticContact CZ2-CZ 3.46Å; W121-F273 HydrophobicContact CZ2-CZ 3.46Å; W121-F273 VanDerWaalsContact CZ2-CZ 3.46Å; W121-F273 AromaticContact NE1-CD2 3.35Å; W121-F273 VanDerWaalsContact NE1-CD2 3.35Å; W121-F273 AromaticContact NE1-CE2 3.49Å; W121-F273 AromaticContact NE1-CG 3.7Å; W121-F273 AromaticContact NE1-CZ 3.94Å; W121-F273 PolarHBondContact NE1-O 2.79Å; W121-Q276 HydrophobicContact CB-CG 4.04Å; W121-Q276 VanDerWaalsContact CD1-CB 3.5Å; W121-Q276 HydrophobicContact CG-CB 4.33Å; W121-Q276 HydrophobicContact CG-CG 3.79Å | ||
| 122 | E | 73.4 | Confident | 72.1 | Confident | 152 Ų | 152 | 99.2 Ų | 99.2 | 71% | 0.71 | 52% | 0.52 | S | S | * | . | trans | -69 | 149.4 | 165.2 | -61.9 | -166.6 | 146 | 0 | 0 | 108.8 | P120 T124 | P120-E122 PolarHBondContact O-N 3.07Å; E122-T124 VanDerWaalsContact C-N 3.31Å; E122-T124 PolarHBondContact O-N 3.21Å | ||
| 123 | D | 58.6 | Low | 71 | Confident | 150 Ų | 150 | 103.7 Ų | 103.7 | 80% | 0.802 | 54% | 0.539 | S | S | * | . | trans | -61.1 | 100 | 169 | -79.1 | -39.1 | 0 | 0 | 0 | 107.2 | P125 | D123-P125 WeakPolarHBondContact O-CD 3.13Å; D123-P125 VanDerWaalsContact O-N 3.09Å | ||
| 124 | T | 53.1 | Low | 70 | Confident | 46 Ų | 46 | 104 Ų | 104 | 28% | 0.282 | 54% | 0.537 | S | S | . | . | trans | -49.2 | 120.3 | 177.1 | 41.8 | 0 | 0 | 0 | 0 | 107.9 | E122 Q126 | E122-T124 VanDerWaalsContact C-N 3.31Å; E122-T124 PolarHBondContact O-N 3.21Å; T124-Q126 PolarHBondContact O-N 2.9Å | ||
| 125 | P | 47.9 | Very low | 68.8 | Low | 96 Ų | 96 | 103.6 Ų | 103.6 | 62% | 0.623 | 54% | 0.537 | S | S | * | . | trans | -53.6 | 114.2 | 178.2 | -23.1 | 31.1 | 0 | 0 | 0 | 108.3 | D123 D127 | D123-P125 WeakPolarHBondContact O-CD 3.13Å; D123-P125 VanDerWaalsContact O-N 3.09Å; P125-D127 PolarHBondContact O-N 2.89Å | ||
| 126 | Q | 50.8 | Low | 67.6 | Low | 166 Ų | 166 | 102.7 Ų | 102.7 | 78% | 0.776 | 54% | 0.538 | S | S | * | . | trans | -74.3 | 64.7 | 159.8 | -71.9 | -171.3 | -27.6 | 0 | 0 | 106.6 | T124 D128 | T124-Q126 PolarHBondContact O-N 2.9Å; Q126-D128 PolarHBondContact O-N 3.34Å | ||
| 127 | D | 51.2 | Low | 66.5 | Low | 113 Ų | 113 | 101.3 Ų | 101.3 | 60% | 0.604 | 53% | 0.526 | S | S | * | . | trans | -79.2 | 109.5 | 162 | -111.2 | -30.3 | 0 | 0 | 0 | 105.7 | P125 D129 M130 | P125-D127 PolarHBondContact O-N 2.89Å; D127-D129 PolarHBondContact O-N 3.41Å; D127-M130 HydrophobicContact CB-CG 4.36Å; D127-M130 PolarHBondContact O-N 3.26Å | ||
| 128 | D | 55.2 | Low | 65.7 | Low | 168 Ų | 168 | 97.6 Ų | 97.6 | 90% | 0.898 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -4.3 | 172.9 | -77.7 | -32.4 | 0 | 0 | 0 | 112.4 | Q126 | Q126-D128 PolarHBondContact O-N 3.34Š|
| 129 | D | 56.6 | Low | 64.9 | Low | 148 Ų | 148 | 96.4 Ų | 96.4 | 79% | 0.791 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | 11.7 | -177.7 | -117 | -2 | 0 | 0 | 0 | 114.2 | D127 T131 | D127-D129 PolarHBondContact O-N 3.41Å; D129-T131 PolarHBondContact O-N 2.85Å |
| 130 | M | 62.3 | Low | 64.2 | Low | 73 Ų | 73 | 90.4 Ų | 90.4 | 36% | 0.36 | 47% | 0.472 | S | S | . | . | trans | -64.1 | 133.4 | 174.1 | -73.6 | -153.6 | -59.5 | 0 | 0 | 111.6 | D127 E134 E135 | D127-M130 HydrophobicContact CB-CG 4.36Å; D127-M130 PolarHBondContact O-N 3.26Å; M130-E134 HydrophobicContact CB-CB 4.39Å; M130-E134 HydrophobicContact SD-CB 4.38Å; M130-E135 HydrophobicContact CE-CB 4.44Å | ||
| 131 | T | 68.9 | Low | 63.8 | Low | 74 Ų | 74 | 88.1 Ų | 88.1 | 45% | 0.454 | 46% | 0.456 | S | S | . | . | trans | -68.8 | 154.4 | 171.9 | 63.1 | 0 | 0 | 0 | 0 | 110.9 | D129 K133 E134 E135 | D129-T131 PolarHBondContact O-N 2.85Å; T131-K133 PolarHBondContact O-N 3.23Å; T131-E134 WeakPolarHBondContact CB-OE2 3.28Å; T131-E134 PolarHBondContact N-OE2 3.18Å; T131-E134 PolarHBondContact O-N 3.35Å; T131-E134 VanDerWaalsContact OG1-CG 3.3Å; T131-E134 WeakPolarHBondContact OG1-CG 3.43Å; T131-E134 PolarHBondContact OG1-N 3.13Å; T131-E134 PolarHBondContact OG1-OE2 3.3Å; T131-E135 PolarHBondContact O-N 3.05Å | ||
| 132 | E | 64.1 | Low | 63.4 | Low | 156 Ų | 156 | 86.4 Ų | 86.4 | 73% | 0.729 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -53.1 | -32.5 | 176.1 | -65.1 | -177.4 | 171.5 | 0 | 0 | 112.4 | A136 | E132-A136 WeakPolarHBondContact O-CB 3.42Å; E132-A136 PolarHBondContact O-N 3.43Å |
| 133 | K | 63.3 | Low | 63.3 | Low | 131 Ų | 131 | 79.2 Ų | 79.2 | 57% | 0.57 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -70.7 | -35.7 | 177.1 | -173.3 | 176.2 | -178 | 176.9 | 0 | 112.6 | T131 K137 | T131-K133 PolarHBondContact O-N 3.23Å; K133-K137 VanDerWaalsContact O-CG 3.27Å; K133-K137 WeakPolarHBondContact O-CG 3.45Å; K133-K137 PolarHBondContact O-N 3.16Å |
| 134 | E | 67.5 | Low | 64 | Low | 92 Ų | 92 | 74.1 Ų | 74.1 | 43% | 0.43 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -75.3 | -39.9 | 176.8 | -73.3 | 159 | 160.3 | 0 | 0 | 111.2 | M130 T131 A136 K137 A138 | M130-E134 HydrophobicContact CB-CB 4.39Å; M130-E134 HydrophobicContact SD-CB 4.38Å; T131-E134 WeakPolarHBondContact CB-OE2 3.28Å; T131-E134 PolarHBondContact N-OE2 3.18Å; T131-E134 PolarHBondContact O-N 3.35Å; T131-E134 VanDerWaalsContact OG1-CG 3.3Å; T131-E134 WeakPolarHBondContact OG1-CG 3.43Å; T131-E134 PolarHBondContact OG1-N 3.13Å; T131-E134 PolarHBondContact OG1-OE2 3.3Å; E134-A136 PolarHBondContact O-N 3.06Å; E134-K137 PolarHBondContact O-N 2.85Å; E134-A138 WeakPolarHBondContact O-CB 3.48Å; E134-A138 PolarHBondContact O-N 3.18Å |
| 135 | E | 66.2 | Low | 65.4 | Low | 36 Ų | 36 | 74.4 Ų | 74.4 | 17% | 0.168 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.8 | -46.4 | 173.6 | -166.4 | -178.5 | 175.9 | 0 | 0 | 111.1 | M130 T131 K137 A138 F139 F284 D285 | M130-E135 HydrophobicContact CE-CB 4.44Å; T131-E135 PolarHBondContact O-N 3.05Å; E135-K137 PolarHBondContact O-N 2.85Å; E135-A138 PolarHBondContact O-N 2.8Å; E135-F139 WeakPolarHBondContact O-CB 3.19Å; E135-F139 PolarHBondContact O-N 3.04Å; E135-F284 HydrophobicContact CG-CD1 3.63Å; E135-F284 HydrophobicContact CG-CE1 4.13Å; E135-D285 PolarHBondContact OE1-N 3.26Å |
| 136 | A | 65.3 | Low | 67 | Low | 19 Ų | 19 | 69.8 Ų | 69.8 | 16% | 0.157 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.8 | -38.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | E132 E134 A140 F298 | E132-A136 WeakPolarHBondContact O-CB 3.42Å; E132-A136 PolarHBondContact O-N 3.43Å; E134-A136 PolarHBondContact O-N 3.06Å; A136-A140 VanDerWaalsContact O-CB 3.3Å; A136-A140 WeakPolarHBondContact O-CB 3.38Å; A136-A140 PolarHBondContact O-N 3.4Å; A136-F298 HydrophobicContact CB-CE2 4.38Å |
| 137 | K | 67.2 | Low | 68.2 | Low | 90 Ų | 90 | 62.5 Ų | 62.5 | 39% | 0.391 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.2 | -45.9 | 174.4 | -77.4 | 173.2 | 178.9 | -176.2 | 0 | 111.6 | K133 E134 E135 F139 A140 V141 | K133-K137 VanDerWaalsContact O-CG 3.27Å; K133-K137 WeakPolarHBondContact O-CG 3.45Å; K133-K137 PolarHBondContact O-N 3.16Å; E134-K137 PolarHBondContact O-N 2.85Å; E135-K137 PolarHBondContact O-N 2.85Å; K137-F139 VanDerWaalsContact C-N 3.32Å; K137-F139 PolarHBondContact O-N 3.26Å; K137-A140 PolarHBondContact O-N 2.85Å; K137-V141 WeakPolarHBondContact O-CG2 3.47Å; K137-V141 PolarHBondContact O-N 3.12Å |
| 138 | A | 71.1 | Confident | 69.8 | Low | 30 Ų | 30 | 60.2 Ų | 60.2 | 25% | 0.248 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.1 | -40.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | E134 E135 T142 F284 | E134-A138 WeakPolarHBondContact O-CB 3.48Å; E134-A138 PolarHBondContact O-N 3.18Å; E135-A138 PolarHBondContact O-N 2.8Å; A138-T142 WeakPolarHBondContact O-CB 3.44Å; A138-T142 PolarHBondContact O-N 3.2Å; A138-T142 PolarHBondContact O-OG1 3.36Å; A138-F284 HydrophobicContact CB-CE1 3.79Å; A138-F284 HydrophobicContact CB-CZ 3.77Å |
| 139 | F | 72.8 | Confident | 71.2 | Confident | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.009 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.3 | -50.7 | 173.2 | 179.6 | -92.5 | 0 | 0 | 0 | 111.9 | E135 K137 V141 T142 A143 L281 F284 L286 M289 I323 V327 | E135-F139 WeakPolarHBondContact O-CB 3.19Å; E135-F139 PolarHBondContact O-N 3.04Å; K137-F139 VanDerWaalsContact C-N 3.32Å; K137-F139 PolarHBondContact O-N 3.26Å; F139-V141 PolarHBondContact O-N 3.17Å; F139-T142 PolarHBondContact O-N 3.28Å; F139-A143 HydrophobicContact CE1-CB 4.42Å; F139-A143 WeakPolarHBondContact O-CB 3.23Å; F139-A143 PolarHBondContact O-N 3.15Å; F139-L281 HydrophobicContact CD2-CD2 3.67Å; F139-L281 HydrophobicContact CE2-CB 4.46Å; F139-L281 HydrophobicContact CE2-CD2 3.46Å; F139-L281 VanDerWaalsContact CE2-CD2 3.46Å; F139-L281 HydrophobicContact CG-CD2 4.4Å; F139-L281 HydrophobicContact CZ-CD2 4.01Å; F139-F284 HydrophobicContact CB-CD1 4.33Å; F139-F284 HydrophobicContact CB-CD2 4.27Å; F139-F284 HydrophobicContact CB-CE1 4.47Å; F139-F284 HydrophobicContact CB-CE2 4.41Å; F139-F284 HydrophobicContact CB-CG 4.22Å; F139-F284 HydrophobicContact CD2-CB 4Å; F139-F284 AromaticContact CD2-CD2 3.71Å; F139-F284 HydrophobicContact CD2-CD2 3.71Å; F139-F284 HydrophobicContact CD2-CE2 4.4Å; F139-F284 AromaticContact CD2-CG 3.93Å; F139-F284 HydrophobicContact CD2-CG 3.93Å; F139-F284 HydrophobicContact CG-CD2 4.49Å; F139-L286 HydrophobicContact CE2-CD2 3.84Å; F139-L286 HydrophobicContact CZ-CD2 4.17Å; F139-M289 HydrophobicContact CB-CE 3.79Å; F139-M289 HydrophobicContact CB-SD 4.06Å; F139-M289 HydrophobicContact CD1-CE 3.64Å; F139-M289 HydrophobicContact CD1-SD 4.15Å; F139-M289 HydrophobicContact CD2-CE 3.15Å; F139-M289 HydrophobicContact CD2-SD 4.45Å; F139-M289 HydrophobicContact CE1-CE 3.99Å; F139-M289 HydrophobicContact CE2-CE 3.51Å; F139-M289 HydrophobicContact CG-CE 3.21Å; F139-M289 HydrophobicContact CG-SD 3.96Å; F139-M289 HydrophobicContact CZ-CE 3.93Å; F139-I323 HydrophobicContact CE1-CG2 4.15Å; F139-V327 HydrophobicContact CE1-CG2 4.39Å; F139-V327 HydrophobicContact CZ-CG2 3.72Å |
| 140 | A | 66.6 | Low | 72.4 | Confident | 4 Ų | 4 | 45.7 Ų | 45.7 | 3% | 0.033 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56 | -47.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A136 K137 T142 A143 D144 L301 I318 | A136-A140 VanDerWaalsContact O-CB 3.3Å; A136-A140 WeakPolarHBondContact O-CB 3.38Å; A136-A140 PolarHBondContact O-N 3.4Å; K137-A140 PolarHBondContact O-N 2.85Å; A140-T142 PolarHBondContact O-N 3.5Å; A140-A143 WeakPolarHBondContact O-CB 3.28Å; A140-A143 PolarHBondContact O-N 2.7Å; A140-D144 PolarHBondContact O-N 2.81Å; A140-L301 HydrophobicContact CB-CD1 3.84Å; A140-I318 HydrophobicContact CB-CD1 3.69Å; A140-I318 WeakPolarHBondContact O-CD1 3.3Å |
| 141 | V | 73.4 | Confident | 73.4 | Confident | 60 Ų | 60 | 47.6 Ų | 47.6 | 36% | 0.364 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64 | -40.9 | 177.6 | 171.9 | 0 | 0 | 0 | 0 | 111.6 | K137 F139 A143 K145 I316 | K137-V141 WeakPolarHBondContact O-CG2 3.47Å; K137-V141 PolarHBondContact O-N 3.12Å; F139-V141 PolarHBondContact O-N 3.17Å; V141-A143 VanDerWaalsContact C-N 3.32Å; V141-K145 WeakPolarHBondContact O-CG 3.38Å; V141-K145 PolarHBondContact O-N 2.98Å; V141-K145 VanDerWaalsContact O-N 3.15Å; V141-I316 HydrophobicContact CG2-CD1 4.2Å |
| 142 | T | 76.9 | Confident | 74.4 | Confident | 9 Ų | 9 | 44 Ų | 44 | 6% | 0.055 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.1 | -41.1 | 176.9 | -55 | 0 | 0 | 0 | 0 | 110.9 | W121 A138 F139 A140 K145 V146 N280 L281 | W121-T142 HydrophobicContact CH2-CG2 3.89Å; W121-T142 HydrophobicContact CZ3-CG2 3.76Å; A138-T142 WeakPolarHBondContact O-CB 3.44Å; A138-T142 PolarHBondContact O-N 3.2Å; A138-T142 PolarHBondContact O-OG1 3.36Å; F139-T142 PolarHBondContact O-N 3.28Å; A140-T142 PolarHBondContact O-N 3.5Å; T142-K145 PolarHBondContact O-N 2.86Å; T142-V146 WeakPolarHBondContact O-CG2 3.07Å; T142-V146 PolarHBondContact O-N 3.02Å; T142-N280 HydrophobicContact CG2-CB 3.97Å; T142-L281 HydrophobicContact CG2-CD2 3.75Å; T142-L281 HydrophobicContact CG2-CG 3.72Å |
| 143 | A | 70.7 | Confident | 75.4 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.008 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.3 | -49.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F139 A140 V141 K145 V146 Q147 L281 V326 | F139-A143 HydrophobicContact CE1-CB 4.42Å; F139-A143 WeakPolarHBondContact O-CB 3.23Å; F139-A143 PolarHBondContact O-N 3.15Å; A140-A143 WeakPolarHBondContact O-CB 3.28Å; A140-A143 PolarHBondContact O-N 2.7Å; V141-A143 VanDerWaalsContact C-N 3.32Å; A143-K145 PolarHBondContact O-N 3.41Å; A143-V146 PolarHBondContact O-N 2.79Å; A143-Q147 PolarHBondContact O-N 3.04Å; A143-L281 HydrophobicContact CB-CD2 4.21Å; A143-V326 HydrophobicContact CB-CB 3.99Å; A143-V326 HydrophobicContact CB-CG1 3.57Å; A143-V326 HydrophobicContact CB-CG2 3.84Å |
| 144 | D | 73 | Confident | 76.4 | Confident | 42 Ų | 42 | 31 Ų | 31 | 23% | 0.225 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.2 | -46.9 | 176.3 | 174.4 | 69.9 | 0 | 0 | 0 | 111.5 | A140 V146 Q147 K148 I318 | A140-D144 PolarHBondContact O-N 2.81Å; D144-V146 PolarHBondContact O-N 3.31Å; D144-Q147 PolarHBondContact O-N 2.85Å; D144-K148 WeakPolarHBondContact O-CG 3.43Å; D144-K148 PolarHBondContact O-N 2.81Å; D144-K148 WeakPolarHBondContact OD1-CE 3.3Å; D144-K148 IonicContact OD1-NZ 3.68Å; D144-K148 PolarHBondContact OD1-NZ 3.46Å; D144-K148 WeakPolarHBondContact OD2-CE 3.36Å; D144-K148 IonicContact OD2-NZ 2.83Å; D144-K148 PolarHBondContact OD2-NZ 3.24Å; D144-I318 HydrophobicContact CB-CD1 4.18Å |
| 145 | K | 82.3 | Confident | 77.2 | Confident | 52 Ų | 52 | 28.7 Ų | 28.7 | 23% | 0.226 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.5 | -43.3 | 177 | -76.4 | -174.5 | 178.4 | -170.8 | 0 | 112.2 | W114 W121 V141 T142 A143 K148 G149 F273 | W114-K145 WeakPolarHBondContact CH2-O 3.27Å; W114-K145 HydrophobicContact CZ2-CB 4.35Å; W114-K145 HydrophobicContact CZ2-CG 4.28Å; W121-K145 HydrophobicContact CH2-CB 3.49Å; W121-K145 VanDerWaalsContact CH2-CB 3.49Å; W121-K145 HydrophobicContact CH2-CD 4.03Å; W121-K145 HydrophobicContact CH2-CG 4.41Å; W121-K145 HydrophobicContact CZ2-CB 4.22Å; W121-K145 HydrophobicContact CZ3-CB 4.12Å; W121-K145 HydrophobicContact CZ3-CD 3.82Å; V141-K145 WeakPolarHBondContact O-CG 3.38Å; V141-K145 PolarHBondContact O-N 2.98Å; V141-K145 VanDerWaalsContact O-N 3.15Å; T142-K145 PolarHBondContact O-N 2.86Å; A143-K145 PolarHBondContact O-N 3.41Å; K145-K148 PolarHBondContact O-N 2.7Å; K145-G149 PolarHBondContact O-N 2.79Å; K145-F273 HydrophobicContact CB-CZ 4.25Å |
| 146 | V | 82.6 | Confident | 78.2 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.1 | -44.2 | 176.7 | 168.4 | 0 | 0 | 0 | 0 | 111.2 | W121 T142 A143 D144 G149 I150 G277 I278 L281 | W121-V146 HydrophobicContact CH2-CG2 4.08Å; W121-V146 HydrophobicContact CZ2-CG2 4.08Å; T142-V146 WeakPolarHBondContact O-CG2 3.07Å; T142-V146 PolarHBondContact O-N 3.02Å; A143-V146 PolarHBondContact O-N 2.79Å; D144-V146 PolarHBondContact O-N 3.31Å; V146-G149 PolarHBondContact O-N 3.38Å; V146-I150 HydrophobicContact CG1-CD1 4.06Å; V146-I150 WeakPolarHBondContact O-CG1 3.49Å; V146-I150 PolarHBondContact O-N 3.26Å; V146-G277 VanDerWaalsContact CG2-C 3.48Å; V146-G277 VanDerWaalsContact CG2-CA 3.49Å; V146-I278 HydrophobicContact CG1-CG1 4.14Å; V146-L281 HydrophobicContact CB-CD1 4.21Å; V146-L281 HydrophobicContact CG1-CD1 4.3Å; V146-L281 HydrophobicContact CG2-CD1 3.85Å |
| 147 | Q | 76 | Confident | 79.1 | Confident | 13 Ų | 13 | 26.2 Ų | 26.2 | 6% | 0.061 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.3 | -44.9 | 179.3 | -171.5 | -176 | -14.4 | 0 | 0 | 111.7 | A143 D144 G149 I150 R151 E322 | A143-Q147 PolarHBondContact O-N 3.04Å; D144-Q147 PolarHBondContact O-N 2.85Å; Q147-G149 VanDerWaalsContact C-N 3.32Å; Q147-G149 PolarHBondContact O-N 3.09Å; Q147-I150 PolarHBondContact O-N 3.45Å; Q147-R151 WeakPolarHBondContact O-CG 3.44Å; Q147-R151 PolarHBondContact O-N 3.49Å; Q147-E322 PolarHBondContact NE2-OE1 3.03Å |
| 148 | K | 83.3 | Confident | 79.8 | Confident | 65 Ų | 65 | 24.3 Ų | 24.3 | 28% | 0.283 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -60.8 | -41.5 | 173.3 | -72.9 | 174.2 | 177.8 | 159.2 | 0 | 111.7 | L111 W114 D144 K145 I150 R151 V152 | L111-K148 HydrophobicContact CD1-CB 4.1Å; L111-K148 HydrophobicContact CD1-CG 4.24Å; W114-K148 HydrophobicContact CD2-CB 4.16Å; W114-K148 HydrophobicContact CD2-CD 3.98Å; W114-K148 HydrophobicContact CE3-CB 3.82Å; W114-K148 HydrophobicContact CE3-CD 4.44Å; W114-K148 HydrophobicContact CG-CD 4.37Å; W114-K148 HydrophobicContact CH2-CB 3.37Å; W114-K148 HydrophobicContact CZ2-CB 3.72Å; W114-K148 HydrophobicContact CZ2-CD 4.05Å; W114-K148 HydrophobicContact CZ3-CB 3.43Å; W114-K148 VanDerWaalsContact CZ3-CB 3.43Å; D144-K148 WeakPolarHBondContact O-CG 3.43Å; D144-K148 PolarHBondContact O-N 2.81Å; D144-K148 WeakPolarHBondContact OD1-CE 3.3Å; D144-K148 IonicContact OD1-NZ 3.68Å; D144-K148 PolarHBondContact OD1-NZ 3.46Å; D144-K148 WeakPolarHBondContact OD2-CE 3.36Å; D144-K148 IonicContact OD2-NZ 2.83Å; D144-K148 PolarHBondContact OD2-NZ 3.24Å; K145-K148 PolarHBondContact O-N 2.7Å; K148-I150 VanDerWaalsContact C-N 3.34Å; K148-I150 PolarHBondContact O-N 3.02Å; K148-R151 PolarHBondContact O-N 3.45Å; K148-V152 WeakPolarHBondContact O-CG2 3.38Å; K148-V152 PolarHBondContact O-N 3.45Å |
| 149 | G | 84.9 | Confident | 80.5 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -56.4 | -45.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | K145 V146 Q147 V152 F153 C270 | K145-G149 PolarHBondContact O-N 2.79Å; V146-G149 PolarHBondContact O-N 3.38Å; Q147-G149 VanDerWaalsContact C-N 3.32Å; Q147-G149 PolarHBondContact O-N 3.09Å; G149-V152 PolarHBondContact O-N 2.75Å; G149-F153 PolarHBondContact O-N 3.39Å; G149-C270 PolarHBondContact O-SG 3.21Å |
| 150 | I | 82.7 | Confident | 81 | Confident | 11 Ų | 11 | 30.8 Ų | 30.8 | 6% | 0.056 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.9 | -44.9 | 176.3 | -68.1 | 167.1 | 0 | 0 | 0 | 111 | V146 Q147 K148 V152 F153 N154 I274 I329 L403 | V146-I150 HydrophobicContact CG1-CD1 4.06Å; V146-I150 WeakPolarHBondContact O-CG1 3.49Å; V146-I150 PolarHBondContact O-N 3.26Å; Q147-I150 PolarHBondContact O-N 3.45Å; K148-I150 VanDerWaalsContact C-N 3.34Å; K148-I150 PolarHBondContact O-N 3.02Å; I150-V152 VanDerWaalsContact C-N 3.32Å; I150-V152 PolarHBondContact O-N 3.11Å; I150-F153 WeakPolarHBondContact O-CB 3.4Å; I150-F153 PolarHBondContact O-N 3.3Å; I150-N154 PolarHBondContact O-N 3.5Å; I150-N154 PolarHBondContact O-ND2 3.11Å; I150-I274 HydrophobicContact CG1-CD1 4.05Å; I150-I274 HydrophobicContact CG1-CG1 4.22Å; I150-I274 HydrophobicContact CG1-CG2 4Å; I150-I329 HydrophobicContact CD1-CD1 3.76Å; I150-I329 HydrophobicContact CD1-CG2 4.04Å; I150-L403 HydrophobicContact CD1-CD2 4.18Å; I150-L403 HydrophobicContact CG1-CD2 4.47Å; I150-L403 HydrophobicContact CG2-CB 4.12Å |
| 151 | R | 83 | Confident | 81.5 | Confident | 112 Ų | 112 | 30.7 Ų | 30.7 | 42% | 0.423 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -59.3 | -43 | 175.8 | -65.3 | -175.5 | -165.3 | -168.8 | 5.7 | 111.7 | L111 Q147 K148 N154 K155 E322 | L111-R151 HydrophobicContact CD1-CB 4.43Å; L111-R151 HydrophobicContact CD2-CB 3.77Å; Q147-R151 WeakPolarHBondContact O-CG 3.44Å; Q147-R151 PolarHBondContact O-N 3.49Å; K148-R151 PolarHBondContact O-N 3.45Å; R151-N154 PolarHBondContact O-N 2.93Å; R151-K155 PolarHBondContact O-N 3.14Å; R151-E322 IonicContact NH2-OE1 3.63Å |
| 152 | V | 88.8 | Confident | 81.8 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.6 | -45.3 | 174.8 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | L111 M112 W114 W115 K148 G149 I150 N154 K155 L156 | L111-V152 HydrophobicContact CD1-CG2 3.94Å; L111-V152 HydrophobicContact CD2-CG2 4.11Å; L111-V152 HydrophobicContact CG-CG2 3.72Å; M112-V152 HydrophobicContact SD-CG1 4.45Å; W114-V152 HydrophobicContact CE3-CG2 4.13Å; W114-V152 HydrophobicContact CZ3-CG2 3.9Å; W115-V152 HydrophobicContact CB-CG1 4.16Å; W115-V152 HydrophobicContact CB-CG2 3.92Å; W115-V152 HydrophobicContact CD2-CB 4.5Å; W115-V152 HydrophobicContact CD2-CG1 3.7Å; W115-V152 HydrophobicContact CD2-CG2 4.47Å; W115-V152 HydrophobicContact CE3-CG1 4.21Å; W115-V152 HydrophobicContact CG-CG1 3.63Å; W115-V152 HydrophobicContact CG-CG2 4.23Å; K148-V152 WeakPolarHBondContact O-CG2 3.38Å; K148-V152 PolarHBondContact O-N 3.45Å; G149-V152 PolarHBondContact O-N 2.75Å; I150-V152 VanDerWaalsContact C-N 3.32Å; I150-V152 PolarHBondContact O-N 3.11Å; V152-N154 VanDerWaalsContact C-N 3.3Å; V152-N154 PolarHBondContact O-N 2.88Å; V152-K155 PolarHBondContact O-N 2.75Å; V152-L156 HydrophobicContact CG1-CD1 3.71Å; V152-L156 HydrophobicContact CG1-CG 4.05Å; V152-L156 WeakPolarHBondContact O-CB 3.24Å; V152-L156 WeakPolarHBondContact O-CG 3.35Å; V152-L156 PolarHBondContact O-N 3.34Å |
| 153 | F | 86.1 | Confident | 81.9 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57 | -45.7 | 176.2 | 167.7 | -107.7 | 0 | 0 | 0 | 111.3 | G149 I150 K155 L156 F157 L267 C270 L271 I274 R400 L403 | G149-F153 PolarHBondContact O-N 3.39Å; I150-F153 WeakPolarHBondContact O-CB 3.4Å; I150-F153 PolarHBondContact O-N 3.3Å; F153-K155 PolarHBondContact O-N 3.25Å; F153-L156 PolarHBondContact O-N 3.17Å; F153-F157 HydrophobicContact CE2-CB 4.35Å; F153-F157 HydrophobicContact CE2-CD2 4.35Å; F153-F157 HydrophobicContact CZ-CB 4.41Å; F153-F157 HydrophobicContact CZ-CD2 4.28Å; F153-F157 HydrophobicContact CZ-CG 4.47Å; F153-F157 WeakPolarHBondContact O-CB 3.34Å; F153-F157 PolarHBondContact O-N 3.31Å; F153-L267 HydrophobicContact CD2-CD2 3.86Å; F153-L267 HydrophobicContact CE2-CD2 3.93Å; F153-C270 PolarHBondContact N-SG 3.25Å; F153-L271 HydrophobicContact CD1-CD2 4.39Å; F153-L271 HydrophobicContact CD2-CD1 4.33Å; F153-L271 HydrophobicContact CD2-CD2 3.56Å; F153-L271 HydrophobicContact CD2-CG 3.76Å; F153-L271 HydrophobicContact CE1-CD2 4.33Å; F153-L271 HydrophobicContact CE2-CD1 3.85Å; F153-L271 HydrophobicContact CE2-CD2 3.53Å; F153-L271 HydrophobicContact CE2-CG 3.76Å; F153-L271 HydrophobicContact CG-CD2 4.01Å; F153-L271 HydrophobicContact CZ-CD2 3.93Å; F153-I274 HydrophobicContact CB-CD1 3.72Å; F153-I274 HydrophobicContact CG-CD1 4.37Å; F153-R400 HydrophobicContact CE1-CB 3.81Å; F153-R400 HydrophobicContact CE1-CG 4.05Å; F153-R400 HydrophobicContact CZ-CB 4.4Å; F153-L403 HydrophobicContact CD1-CD1 4.19Å; F153-L403 HydrophobicContact CE1-CD1 4.24Å |
| 154 | N | 83.9 | Confident | 82.3 | Confident | 13 Ų | 13 | 34.8 Ų | 34.8 | 7% | 0.07 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.5 | -43 | 179 | -64 | -35.9 | 0 | 0 | 0 | 112.1 | I150 R151 V152 S158 R400 H404 | I150-N154 PolarHBondContact O-N 3.5Å; I150-N154 PolarHBondContact O-ND2 3.11Å; R151-N154 PolarHBondContact O-N 2.93Å; V152-N154 VanDerWaalsContact C-N 3.3Å; V152-N154 PolarHBondContact O-N 2.88Å; N154-S158 WeakPolarHBondContact O-CB 3.47Å; N154-S158 PolarHBondContact O-N 2.99Å; N154-S158 PolarHBondContact O-OG 3.26Å; N154-R400 WeakPolarHBondContact OD1-CG 3.32Å; N154-H404 PolarHBondContact ND2-CD2 2.88Å; N154-H404 PolarHBondContact ND2-NE2 3.41Å; N154-H404 PolarHBondContact OD1-CD2 3.19Å; N154-H404 PolarHBondContact OD1-NE2 2.83Å |
| 155 | K | 84.8 | Confident | 82.6 | Confident | 44 Ų | 44 | 34.9 Ų | 34.9 | 19% | 0.191 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.9 | -54.2 | 175.5 | -178.1 | 171.8 | 175.6 | 174.2 | 0 | 111.1 | V108 M112 R151 V152 F153 F157 S158 E159 | V108-K155 PolarHBondContact O-NZ 2.83Å; M112-K155 HydrophobicContact CG-CD 4.07Å; M112-K155 VanDerWaalsContact CG-NZ 3.34Å; M112-K155 HydrophobicContact SD-CD 4.1Å; R151-K155 PolarHBondContact O-N 3.14Å; V152-K155 PolarHBondContact O-N 2.75Å; F153-K155 PolarHBondContact O-N 3.25Å; K155-F157 VanDerWaalsContact C-N 3.28Å; K155-F157 PolarHBondContact O-N 3.48Å; K155-S158 PolarHBondContact O-N 3.02Å; K155-E159 WeakPolarHBondContact CE-OE1 3.15Å; K155-E159 WeakPolarHBondContact CG-OE1 3.45Å; K155-E159 WeakPolarHBondContact O-CB 3.5Å; K155-E159 WeakPolarHBondContact O-CG 3.27Å; K155-E159 PolarHBondContact O-N 3.26Å |
| 156 | L | 87.3 | Confident | 82.3 | Confident | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.9 | -40.7 | 178.4 | -71.3 | 176.2 | 0 | 0 | 0 | 112.1 | M112 V152 F153 R160 D266 L267 C270 | M112-L156 HydrophobicContact CE-CD2 4.18Å; V152-L156 HydrophobicContact CG1-CD1 3.71Å; V152-L156 HydrophobicContact CG1-CG 4.05Å; V152-L156 WeakPolarHBondContact O-CB 3.24Å; V152-L156 WeakPolarHBondContact O-CG 3.35Å; V152-L156 PolarHBondContact O-N 3.34Å; F153-L156 PolarHBondContact O-N 3.17Å; L156-R160 VanDerWaalsContact O-CB 3.25Å; L156-R160 WeakPolarHBondContact O-CB 3.34Å; L156-R160 WeakPolarHBondContact O-CG 3.47Å; L156-R160 PolarHBondContact O-N 2.83Å; L156-R160 VanDerWaalsContact O-N 3.14Å; L156-D266 HydrophobicContact CD1-CB 4.41Å; L156-L267 HydrophobicContact CB-CD2 3.6Å; L156-L267 HydrophobicContact CB-CG 4.4Å; L156-C270 HydrophobicContact CD1-CB 4.15Å |
| 157 | F | 83.5 | Confident | 82.1 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69 | -45.7 | -179 | -173.4 | -93.6 | 0 | 0 | 0 | 110.3 | F153 K155 E159 R160 A161 L267 L396 N397 | F153-F157 HydrophobicContact CE2-CB 4.35Å; F153-F157 HydrophobicContact CE2-CD2 4.35Å; F153-F157 HydrophobicContact CZ-CB 4.41Å; F153-F157 HydrophobicContact CZ-CD2 4.28Å; F153-F157 HydrophobicContact CZ-CG 4.47Å; F153-F157 WeakPolarHBondContact O-CB 3.34Å; F153-F157 PolarHBondContact O-N 3.31Å; K155-F157 VanDerWaalsContact C-N 3.28Å; K155-F157 PolarHBondContact O-N 3.48Å; F157-E159 PolarHBondContact O-N 3.47Å; F157-R160 PolarHBondContact O-N 3.28Å; F157-A161 HydrophobicContact CD1-CB 4.37Å; F157-A161 HydrophobicContact CE1-CB 4.22Å; F157-A161 WeakPolarHBondContact O-CA 3.38Å; F157-A161 WeakPolarHBondContact O-CB 3.37Å; F157-A161 PolarHBondContact O-N 3.32Å; F157-L267 HydrophobicContact CB-CD2 3.95Å; F157-L267 HydrophobicContact CD2-CD1 4.32Å; F157-L267 HydrophobicContact CD2-CD2 4.42Å; F157-L396 HydrophobicContact CD2-CB 4.42Å; F157-L396 HydrophobicContact CE2-CB 3.62Å; F157-L396 HydrophobicContact CE2-CD1 4.46Å; F157-L396 HydrophobicContact CZ-CB 4.23Å; F157-N397 HydrophobicContact CE1-CB 3.97Å; F157-N397 HydrophobicContact CZ-CB 3.85Å |
| 158 | S | 83 | Confident | 82.1 | Confident | 49 Ų | 49 | 36.9 Ų | 36.9 | 34% | 0.343 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -63.3 | -41.8 | 179.6 | -52.7 | 0 | 0 | 0 | 0 | 112.1 | N154 K155 R160 R400 | N154-S158 WeakPolarHBondContact O-CB 3.47Å; N154-S158 PolarHBondContact O-N 2.99Å; N154-S158 PolarHBondContact O-OG 3.26Å; K155-S158 PolarHBondContact O-N 3.02Å; S158-R160 VanDerWaalsContact C-N 3.33Å; S158-R160 PolarHBondContact O-N 2.94Å; S158-R400 PolarHBondContact OG-NH2 3.38Å |
| 159 | E | 84.8 | Confident | 81.7 | Confident | 120 Ų | 120 | 36.9 Ų | 36.9 | 56% | 0.561 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -67.5 | -31.6 | 178 | -72.8 | 174.6 | 179.7 | 0 | 0 | 113 | K155 F157 | K155-E159 WeakPolarHBondContact CE-OE1 3.15Å; K155-E159 WeakPolarHBondContact CG-OE1 3.45Å; K155-E159 WeakPolarHBondContact O-CB 3.5Å; K155-E159 WeakPolarHBondContact O-CG 3.27Å; K155-E159 PolarHBondContact O-N 3.26Å; F157-E159 PolarHBondContact O-N 3.47Å |
| 160 | R | 83.9 | Confident | 81.2 | Confident | 49 Ų | 49 | 40.2 Ų | 40.2 | 19% | 0.185 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -104.1 | -16.2 | -172.2 | -60.5 | 176.9 | -173.9 | -152.2 | 0.1 | 113.8 | L156 F157 S158 E162 S163 L164 K263 D266 | L156-R160 VanDerWaalsContact O-CB 3.25Å; L156-R160 WeakPolarHBondContact O-CB 3.34Å; L156-R160 WeakPolarHBondContact O-CG 3.47Å; L156-R160 PolarHBondContact O-N 2.83Å; L156-R160 VanDerWaalsContact O-N 3.14Å; F157-R160 PolarHBondContact O-N 3.28Å; S158-R160 VanDerWaalsContact C-N 3.33Å; S158-R160 PolarHBondContact O-N 2.94Å; R160-E162 PolarHBondContact O-N 3.29Å; R160-S163 PolarHBondContact O-N 3.26Å; R160-L164 HydrophobicContact CB-CD1 4.08Å; R160-L164 WeakPolarHBondContact O-CG 3.25Å; R160-L164 PolarHBondContact O-N 3.18Å; R160-K263 WeakPolarHBondContact CD-O 3.07Å; R160-K263 PolarHBondContact NH1-O 3.27Å; R160-D266 IonicContact CZ-OD2 2.74Å; R160-D266 VanDerWaalsContact CZ-OD2 3.25Å; R160-D266 IonicContact NH1-OD2 3.4Å; R160-D266 PolarHBondContact NH1-OD2 3.42Å; R160-D266 IonicContact NH2-OD2 3.7Å; R160-D266 PolarHBondContact NH2-OD2 2.98Å |
| 161 | A | 77.6 | Confident | 80.9 | Confident | 2 Ų | 2 | 39.8 Ų | 39.8 | 2% | 0.017 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -55.5 | -55 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | F157 S163 L164 W165 | F157-A161 HydrophobicContact CD1-CB 4.37Å; F157-A161 HydrophobicContact CE1-CB 4.22Å; F157-A161 WeakPolarHBondContact O-CA 3.38Å; F157-A161 WeakPolarHBondContact O-CB 3.37Å; F157-A161 PolarHBondContact O-N 3.32Å; A161-S163 PolarHBondContact O-N 3.49Å; A161-L164 PolarHBondContact O-N 3.48Å; A161-L164 VanDerWaalsContact O-N 3.14Å; A161-W165 WeakPolarHBondContact O-CB 3.46Å; A161-W165 PolarHBondContact O-N 2.91Å |
| 162 | E | 78 | Confident | 80.5 | Confident | 116 Ų | 116 | 36.7 Ų | 36.7 | 54% | 0.542 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -52.4 | -46.6 | 179.6 | 177.8 | 174.7 | -175.4 | 0 | 0 | 111.7 | L92 R160 W165 Q166 | L92-E162 HydrophobicContact CD1-CB 4.06Å; L92-E162 HydrophobicContact CD2-CB 3.87Å; L92-E162 HydrophobicContact CD2-CG 3.63Å; L92-E162 HydrophobicContact CG-CB 4.5Å; R160-E162 PolarHBondContact O-N 3.29Å; E162-W165 PolarHBondContact O-N 2.91Å; E162-Q166 PolarHBondContact O-N 3.42Å |
| 163 | S | 78.9 | Confident | 79.8 | Confident | 40 Ų | 40 | 39.5 Ų | 39.5 | 28% | 0.28 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -66.4 | -46.6 | -179.4 | -168.3 | 0 | 0 | 0 | 0 | 111.4 | R160 A161 W165 Q166 H167 K263 | R160-S163 PolarHBondContact O-N 3.26Å; A161-S163 PolarHBondContact O-N 3.49Å; S163-W165 VanDerWaalsContact C-N 3.28Å; S163-W165 PolarHBondContact O-N 2.97Å; S163-Q166 PolarHBondContact O-N 3.35Å; S163-Q166 VanDerWaalsContact O-N 3.08Å; S163-H167 PolarHBondContact O-CE1 3.04Å; S163-H167 PolarHBondContact O-N 3.43Å; S163-H167 PolarHBondContact O-ND1 3.21Å; S163-H167 PolarHBondContact OG-CE1 3.5Å; S163-H167 VanDerWaalsContact OG-CE1 3.23Å; S163-K263 WeakPolarHBondContact OG-CD 3.33Å; S163-K263 WeakPolarHBondContact OG-CE 3.44Å |
| 164 | L | 79.9 | Confident | 79.2 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.8 | -41.9 | 176.2 | -71.6 | 164.6 | 0 | 0 | 0 | 111.7 | R160 A161 H167 V168 Y260 K263 I264 L267 L393 | R160-L164 HydrophobicContact CB-CD1 4.08Å; R160-L164 WeakPolarHBondContact O-CG 3.25Å; R160-L164 PolarHBondContact O-N 3.18Å; A161-L164 PolarHBondContact O-N 3.48Å; A161-L164 VanDerWaalsContact O-N 3.14Å; L164-H167 PolarHBondContact O-N 3.03Å; L164-V168 PolarHBondContact O-N 3.23Å; L164-Y260 HydrophobicContact CB-CE2 4.14Å; L164-Y260 HydrophobicContact CD2-CD1 4.09Å; L164-Y260 HydrophobicContact CD2-CD2 3.6Å; L164-Y260 HydrophobicContact CD2-CE1 4.08Å; L164-Y260 HydrophobicContact CD2-CE2 3.59Å; L164-Y260 HydrophobicContact CD2-CG 3.86Å; L164-Y260 HydrophobicContact CG-CE2 4.49Å; L164-K263 HydrophobicContact CD2-CB 3.74Å; L164-K263 HydrophobicContact CG-CB 4.19Å; L164-I264 HydrophobicContact CD1-CD1 4.25Å; L164-I264 HydrophobicContact CD2-CB 4.48Å; L164-L267 HydrophobicContact CD1-CD1 3.82Å; L164-L393 HydrophobicContact CB-CD1 3.89Å; L164-L393 HydrophobicContact CB-CD2 3.76Å; L164-L393 HydrophobicContact CB-CG 4.49Å; L164-L393 HydrophobicContact CD1-CD2 3.83Å; L164-L393 HydrophobicContact CG-CD2 4.31Å |
| 165 | W | 79.4 | Confident | 78.6 | Confident | 43 Ų | 43 | 40 Ų | 40 | 16% | 0.163 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62 | -40.7 | 173.6 | -83.5 | 106.7 | 0 | 0 | 0 | 112.5 | A161 E162 S163 V168 I169 H390 L393 V394 | A161-W165 WeakPolarHBondContact O-CB 3.46Å; A161-W165 PolarHBondContact O-N 2.91Å; E162-W165 PolarHBondContact O-N 2.91Å; S163-W165 VanDerWaalsContact C-N 3.28Å; S163-W165 PolarHBondContact O-N 2.97Å; W165-V168 WeakPolarHBondContact O-CB 3.45Å; W165-V168 PolarHBondContact O-N 2.77Å; W165-I169 WeakPolarHBondContact O-CG1 3.46Å; W165-I169 PolarHBondContact O-N 2.9Å; W165-I169 VanDerWaalsContact O-N 3.12Å; W165-H390 AromaticContact CE3-ND1 3.94Å; W165-H390 AromaticContact CH2-CE1 3.12Å; W165-H390 WeakPolarHBondContact CH2-CE1 3.3Å; W165-H390 AromaticContact CH2-ND1 3.11Å; W165-H390 WeakPolarHBondContact CH2-ND1 3.46Å; W165-H390 AromaticContact CZ3-CE1 3.14Å; W165-H390 WeakPolarHBondContact CZ3-CE1 3.36Å; W165-H390 AromaticContact CZ3-ND1 2.89Å; W165-H390 WeakPolarHBondContact CZ3-ND1 3.14Å; W165-L393 HydrophobicContact CD2-CD1 4.21Å; W165-L393 HydrophobicContact CG-CD1 4.24Å; W165-L393 HydrophobicContact CZ2-CB 4.11Å; W165-V394 HydrophobicContact CH2-CG2 3.74Å; W165-V394 HydrophobicContact CZ2-CG2 3.86Å |
| 166 | Q | 75.3 | Confident | 77.9 | Confident | 90 Ų | 90 | 40.5 Ų | 40.5 | 42% | 0.421 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.3 | -41.9 | 176.2 | -86.7 | -62.4 | 6.2 | 0 | 0 | 113.5 | E162 S163 V168 I169 D170 | E162-Q166 PolarHBondContact O-N 3.42Å; S163-Q166 PolarHBondContact O-N 3.35Å; S163-Q166 VanDerWaalsContact O-N 3.08Å; Q166-V168 PolarHBondContact O-N 3.47Å; Q166-I169 WeakPolarHBondContact O-CB 3.47Å; Q166-I169 PolarHBondContact O-N 3.15Å; Q166-D170 PolarHBondContact O-N 2.9Å |
| 167 | H | 78.1 | Confident | 76.9 | Confident | 14 Ų | 14 | 42.3 Ų | 42.3 | 7% | 0.065 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58 | -37.1 | 175.2 | -66.1 | 101.8 | 0 | 0 | 0 | 111.8 | S163 L164 D170 L171 I256 D259 Y260 K263 | S163-H167 PolarHBondContact O-CE1 3.04Å; S163-H167 PolarHBondContact O-N 3.43Å; S163-H167 PolarHBondContact O-ND1 3.21Å; S163-H167 PolarHBondContact OG-CE1 3.5Å; S163-H167 VanDerWaalsContact OG-CE1 3.23Å; L164-H167 PolarHBondContact O-N 3.03Å; H167-D170 PolarHBondContact O-N 2.74Å; H167-L171 VanDerWaalsContact O-CG 3.29Å; H167-L171 WeakPolarHBondContact O-CG 3.37Å; H167-L171 PolarHBondContact O-N 3.4Å; H167-I256 HydrophobicContact CB-CG2 3.78Å; H167-I256 PolarHBondContact CD2-O 2.96Å; H167-D259 VanDerWaalsContact NE2-CB 3.29Å; H167-D259 WeakPolarHBondContact NE2-CB 3.4Å; H167-Y260 HydrophobicContact CB-CD2 3.88Å; H167-K263 PolarHBondContact CE1-NZ 2.93Å |
| 168 | V | 76 | Confident | 76.1 | Confident | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.024 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.9 | -40.5 | 174.9 | 171.9 | 0 | 0 | 0 | 0 | 111.8 | L164 W165 Q166 N172 Y260 A386 L389 H390 L393 | L164-V168 PolarHBondContact O-N 3.23Å; W165-V168 WeakPolarHBondContact O-CB 3.45Å; W165-V168 PolarHBondContact O-N 2.77Å; Q166-V168 PolarHBondContact O-N 3.47Å; V168-N172 PolarHBondContact O-N 3.43Å; V168-N172 VanDerWaalsContact O-N 3.14Å; V168-N172 PolarHBondContact O-ND2 2.93Å; V168-Y260 HydrophobicContact CG2-CE2 4.16Å; V168-A386 HydrophobicContact CG1-CB 4.42Å; V168-A386 WeakPolarHBondContact CG1-O 3.46Å; V168-L389 HydrophobicContact CG2-CB 3.76Å; V168-H390 HydrophobicContact CG1-CB 4Å; V168-L393 HydrophobicContact CG2-CD1 4.03Å |
| 169 | I | 76.1 | Confident | 75.1 | Confident | 65 Ų | 65 | 42.6 Ų | 42.6 | 33% | 0.333 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.8 | -44.8 | 175.6 | -66.6 | 167.2 | 0 | 0 | 0 | 110.3 | W165 Q166 N172 A173 | W165-I169 WeakPolarHBondContact O-CG1 3.46Å; W165-I169 PolarHBondContact O-N 2.9Å; W165-I169 VanDerWaalsContact O-N 3.12Å; Q166-I169 WeakPolarHBondContact O-CB 3.47Å; Q166-I169 PolarHBondContact O-N 3.15Å; I169-N172 PolarHBondContact O-N 3.02Å; I169-A173 PolarHBondContact O-N 2.91Å |
| 170 | D | 74.9 | Confident | 73.7 | Confident | 70 Ų | 70 | 44.2 Ų | 44.2 | 37% | 0.374 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.9 | -42.2 | 179.3 | -74.5 | -26.5 | 0 | 0 | 0 | 112 | Q166 H167 N172 A173 I174 I256 | Q166-D170 PolarHBondContact O-N 2.9Å; H167-D170 PolarHBondContact O-N 2.74Å; D170-N172 VanDerWaalsContact C-N 3.34Å; D170-N172 PolarHBondContact O-N 3.47Å; D170-A173 PolarHBondContact O-N 3.06Å; D170-I174 VanDerWaalsContact O-CG1 3.25Å; D170-I174 WeakPolarHBondContact O-CG1 3.44Å; D170-I174 PolarHBondContact O-N 3.18Å; D170-I256 HydrophobicContact CB-CD1 3.6Å; D170-I256 HydrophobicContact CB-CG1 4.3Å |
| 171 | L | 75.6 | Confident | 72.1 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59 | -44.9 | 173.4 | -73 | 172.5 | 0 | 0 | 0 | 111.3 | H167 I174 A175 V253 I256 V257 L354 I382 V385 A386 L389 | H167-L171 VanDerWaalsContact O-CG 3.29Å; H167-L171 WeakPolarHBondContact O-CG 3.37Å; H167-L171 PolarHBondContact O-N 3.4Å; L171-I174 PolarHBondContact O-N 3.45Å; L171-A175 PolarHBondContact O-N 2.95Å; L171-V253 HydrophobicContact CD2-CG1 4.28Å; L171-I256 HydrophobicContact CD1-CG2 4.26Å; L171-I256 HydrophobicContact CD2-CG2 3.84Å; L171-I256 HydrophobicContact CG-CG2 3.7Å; L171-V257 HydrophobicContact CD2-CG2 4.48Å; L171-L354 HydrophobicContact CD2-CD2 4.34Å; L171-I382 HydrophobicContact CB-CG2 3.98Å; L171-I382 HydrophobicContact CD2-CG2 4.12Å; L171-I382 WeakPolarHBondContact O-CG2 3.16Å; L171-V385 HydrophobicContact CD1-CG1 4.44Å; L171-A386 HydrophobicContact CB-CB 3.87Å; L171-L389 HydrophobicContact CD1-CD1 3.83Å |
| 172 | N | 75.2 | Confident | 70.3 | Confident | 48 Ų | 48 | 53.4 Ų | 53.4 | 26% | 0.257 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 175.9 | -83.4 | -62.2 | 0 | 0 | 0 | 112.3 | V168 I169 D170 I174 A175 D176 A386 | V168-N172 PolarHBondContact O-N 3.43Å; V168-N172 VanDerWaalsContact O-N 3.14Å; V168-N172 PolarHBondContact O-ND2 2.93Å; I169-N172 PolarHBondContact O-N 3.02Å; D170-N172 VanDerWaalsContact C-N 3.34Å; D170-N172 PolarHBondContact O-N 3.47Å; N172-I174 VanDerWaalsContact C-N 3.3Å; N172-I174 PolarHBondContact O-N 3.15Å; N172-A175 PolarHBondContact O-N 2.98Å; N172-D176 PolarHBondContact O-N 3.22Å; N172-A386 WeakPolarHBondContact ND2-CB 3.36Å |
| 173 | A | 73.7 | Confident | 68.4 | Low | 58 Ų | 58 | 57.3 Ų | 57.3 | 48% | 0.479 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.5 | -38 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I169 D170 D176 G177 | I169-A173 PolarHBondContact O-N 2.91Å; D170-A173 PolarHBondContact O-N 3.06Å; A173-D176 PolarHBondContact O-N 3.47Å; A173-G177 PolarHBondContact O-N 2.76Å |
| 174 | I | 72.5 | Confident | 66.4 | Low | 25 Ų | 25 | 64.9 Ų | 64.9 | 13% | 0.128 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.7 | -45.3 | 174.4 | -66.2 | 165.5 | 0 | 0 | 0 | 110.5 | D170 L171 N172 D176 G177 L178 K252 V253 I256 I382 | D170-I174 VanDerWaalsContact O-CG1 3.25Å; D170-I174 WeakPolarHBondContact O-CG1 3.44Å; D170-I174 PolarHBondContact O-N 3.18Å; L171-I174 PolarHBondContact O-N 3.45Å; N172-I174 VanDerWaalsContact C-N 3.3Å; N172-I174 PolarHBondContact O-N 3.15Å; I174-D176 VanDerWaalsContact C-N 3.31Å; I174-D176 PolarHBondContact O-N 2.89Å; I174-G177 PolarHBondContact O-N 2.94Å; I174-L178 HydrophobicContact CG2-CD1 4Å; I174-L178 HydrophobicContact CG2-CG 4.46Å; I174-L178 WeakPolarHBondContact O-CG 3.36Å; I174-L178 PolarHBondContact O-N 2.78Å; I174-K252 HydrophobicContact CD1-CB 4.42Å; I174-V253 HydrophobicContact CD1-CG2 3.74Å; I174-V253 HydrophobicContact CG2-CG2 3.78Å; I174-I256 HydrophobicContact CD1-CD1 3.52Å; I174-I382 HydrophobicContact CG2-CD1 4.07Å |
| 175 | A | 72.3 | Confident | 64.3 | Low | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.2 | -42.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L171 N172 L178 D179 A379 I382 R383 | L171-A175 PolarHBondContact O-N 2.95Å; N172-A175 PolarHBondContact O-N 2.98Å; A175-L178 PolarHBondContact O-N 3.36Å; A175-D179 WeakPolarHBondContact O-CB 3.28Å; A175-D179 PolarHBondContact O-N 3.4Å; A175-A379 WeakPolarHBondContact CB-O 3.28Å; A175-I382 HydrophobicContact CB-CB 4.1Å; A175-I382 HydrophobicContact CB-CG2 3.94Å; A175-R383 HydrophobicContact CB-CB 4.1Å |
| 176 | D | 69.6 | Low | 62.1 | Low | 54 Ų | 54 | 76.4 Ų | 76.4 | 29% | 0.289 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -67.1 | -37.8 | 176.6 | -75.4 | -8.9 | 0 | 0 | 0 | 112.7 | N172 A173 I174 L178 D179 K180 R383 | N172-D176 PolarHBondContact O-N 3.22Å; A173-D176 PolarHBondContact O-N 3.47Å; I174-D176 VanDerWaalsContact C-N 3.31Å; I174-D176 PolarHBondContact O-N 2.89Å; D176-L178 VanDerWaalsContact C-N 3.33Å; D176-D179 PolarHBondContact O-N 2.7Å; D176-K180 WeakPolarHBondContact O-CB 3.38Å; D176-K180 VanDerWaalsContact O-CG 3.23Å; D176-K180 WeakPolarHBondContact O-CG 3.48Å; D176-K180 PolarHBondContact O-N 3.08Å; D176-R383 IonicContact OD1-CZ 3.78Å; D176-R383 IonicContact OD1-NE 3.84Å; D176-R383 IonicContact OD1-NH2 3.25Å; D176-R383 PolarHBondContact OD1-NH2 3.4Å |
| 177 | G | 67.3 | Low | 60.4 | Low | 40 Ų | 40 | 76 Ų | 76 | 41% | 0.412 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.9 | -38.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A173 I174 | A173-G177 PolarHBondContact O-N 2.76Å; I174-G177 PolarHBondContact O-N 2.94Å |
| 178 | L | 66.6 | Low | 58.1 | Low | 19 Ų | 19 | 78.5 Ų | 78.5 | 10% | 0.099 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -72.2 | -33.1 | 177.2 | -69.8 | 169.7 | 0 | 0 | 0 | 112.6 | I174 A175 D176 F378 A379 I382 | I174-L178 HydrophobicContact CG2-CD1 4Å; I174-L178 HydrophobicContact CG2-CG 4.46Å; I174-L178 WeakPolarHBondContact O-CG 3.36Å; I174-L178 PolarHBondContact O-N 2.78Å; A175-L178 PolarHBondContact O-N 3.36Å; D176-L178 VanDerWaalsContact C-N 3.33Å; L178-F378 HydrophobicContact CD1-CD1 3.76Å; L178-F378 HydrophobicContact CD1-CE1 3.98Å; L178-A379 HydrophobicContact CB-CB 3.75Å; L178-I382 HydrophobicContact CD1-CD1 3.59Å |
| 179 | D | 62 | Low | 55.9 | Low | 36 Ų | 36 | 82.8 Ų | 82.8 | 19% | 0.193 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -85.9 | -25.4 | -177.2 | -160.7 | 43.1 | 0 | 0 | 0 | 113.7 | A175 D176 F181 N182 A379 | A175-D179 WeakPolarHBondContact O-CB 3.28Å; A175-D179 PolarHBondContact O-N 3.4Å; D176-D179 PolarHBondContact O-N 2.7Å; D179-F181 PolarHBondContact O-N 3.03Å; D179-N182 PolarHBondContact O-N 3.38Å; D179-A379 HydrophobicContact CB-CB 4.32Å |
| 180 | K | 55.1 | Low | 53.9 | Low | 154 Ų | 154 | 85 Ų | 85 | 67% | 0.67 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -6.7 | 178 | -87.8 | 171.1 | -176.8 | 172.8 | 0 | 115.5 | D176 N182 | D176-K180 WeakPolarHBondContact O-CB 3.38Å; D176-K180 VanDerWaalsContact O-CG 3.23Å; D176-K180 WeakPolarHBondContact O-CG 3.48Å; D176-K180 PolarHBondContact O-N 3.08Å; K180-N182 VanDerWaalsContact C-N 3.29Å; K180-N182 PolarHBondContact O-N 3.24Å |
| 181 | F | 49.9 | Very low | 51.9 | Low | 161 Ų | 161 | 85.6 Ų | 85.6 | 71% | 0.706 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | 0.5 | 169.2 | -77.1 | -80.8 | 0 | 0 | 0 | 114.9 | D179 | D179-F181 PolarHBondContact O-N 3.03Š|
| 182 | N | 39.6 | Very low | 49.5 | Very low | 84 Ų | 84 | 89.5 Ų | 89.5 | 45% | 0.449 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -142.8 | 86.6 | 173 | -96.1 | -13.7 | 0 | 0 | 0 | 112.5 | D179 K180 | D179-N182 PolarHBondContact O-N 3.38Å; K180-N182 VanDerWaalsContact C-N 3.29Å; K180-N182 PolarHBondContact O-N 3.24Å |
| 183 | K | 37.8 | Very low | 47.2 | Very low | 197 Ų | 197 | 90.6 Ų | 90.6 | 86% | 0.857 | 51% | 0.505 | S | S | * | . | S | Bend | trans | 34.9 | 119.8 | 157.3 | -78.6 | -179.6 | 177.1 | 176.2 | 0 | 120.2 | ||
| 184 | K | 38.4 | Very low | 45.4 | Very low | 199 Ų | 199 | 93.4 Ų | 93.4 | 87% | 0.865 | 52% | 0.521 | S | S | * | . | trans | 55.5 | 80.6 | 151 | -66.4 | -170.9 | 178.5 | -173.6 | 0 | 115.3 | K186 | K184-K186 PolarHBondContact O-N 2.85Š| ||
| 185 | T | 35.1 | Very low | 43.8 | Very low | 81 Ų | 81 | 98.5 Ų | 98.5 | 50% | 0.497 | 55% | 0.554 | S | S | . | * | trans | -62.5 | 106.6 | 166.9 | -44.8 | 0 | 0 | 0 | 0 | 109.6 | I187 | T185-I187 VanDerWaalsContact C-N 3.26Å; T185-I187 HydrophobicContact CG2-CG1 3.96Å; T185-I187 PolarHBondContact O-N 2.97Å | ||
| 186 | K | 32.8 | Very low | 42.1 | Very low | 204 Ų | 204 | 104 Ų | 104 | 89% | 0.887 | 59% | 0.592 | S | S | * | * | trans | -68.4 | 95.7 | 160 | -98 | -176.6 | 177.7 | -177.2 | 0 | 107 | K184 A188 | K184-K186 PolarHBondContact O-N 2.85Å; K186-A188 PolarHBondContact O-N 3.47Å | ||
| 187 | I | 40 | Very low | 40.4 | Very low | 81 Ų | 81 | 105.6 Ų | 105.6 | 42% | 0.415 | 61% | 0.613 | S | S | . | * | trans | -72.9 | 97.1 | 169.7 | -80 | 175.9 | 0 | 0 | 0 | 106.6 | T185 A202 | T185-I187 VanDerWaalsContact C-N 3.26Å; T185-I187 HydrophobicContact CG2-CG1 3.96Å; T185-I187 PolarHBondContact O-N 2.97Å; I187-A202 HydrophobicContact CB-CB 3.68Å; I187-A202 HydrophobicContact CG1-CB 3.92Å; I187-A202 VanDerWaalsContact CG2-CA 3.49Å; I187-A202 HydrophobicContact CG2-CB 3.12Å; I187-A202 WeakPolarHBondContact CG2-O 3.06Å | ||
| 188 | A | 29.6 | Very low | 39.3 | Very low | 68 Ų | 68 | 112 Ų | 112 | 56% | 0.562 | 64% | 0.636 | S | S | * | * | trans | -166 | 106.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 106.3 | K186 | K186-A188 PolarHBondContact O-N 3.47Š| ||
| 189 | Q | 29.3 | Very low | 37.5 | Very low | 94 Ų | 94 | 113.3 Ų | 113.3 | 44% | 0.439 | 65% | 0.654 | S | S | . | * | 151.8 | 56.9 | 122.2 | -67.1 | -132 | -51.2 | 0 | 0 | 117.9 | I198 G199 G200 V201 | Q189-I198 PolarHBondContact OE1-O 2.95Å; Q189-G199 PolarHBondContact NE2-O 3.28Å; Q189-G199 PolarHBondContact OE1-O 3.3Å; Q189-G200 VanDerWaalsContact C-C 3.46Å; Q189-G200 CarbonylContact C-O 3.45Å; Q189-G200 VanDerWaalsContact CA-CA 3.47Å; Q189-G200 VanDerWaalsContact CD-CA 3.5Å; Q189-G200 VanDerWaalsContact CG-CA 3.44Å; Q189-V201 CarbonylContact C-O 3.49Å; Q189-V201 VanDerWaalsContact CA-N 3.35Å; Q189-V201 PolarHBondContact N-O 3.11Å | |||
| 190 | I | 35.1 | Very low | 36 | Very low | 112 Ų | 112 | 112.6 Ų | 112.6 | 57% | 0.574 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -143.8 | 104.7 | 170.3 | -50.3 | 179.1 | 0 | 0 | 0 | 111.6 | G200 V201 | I190-G200 CarbonylContact C-O 3.55Å; I190-G200 VanDerWaalsContact CA-O 3.3Å; I190-G200 WeakPolarHBondContact CA-O 3.09Å; I190-G200 VanDerWaalsContact N-C 3.26Å; I190-G200 PolarHBondContact N-O 3.1Å; I190-V201 PolarHBondContact N-O 3.34Å; I190-V201 VanDerWaalsContact O-CB 3.23Å; I190-V201 WeakPolarHBondContact O-CB 3.45Å |
| 191 | T | 32.7 | Very low | 34.8 | Very low | 82 Ų | 82 | 108.5 Ų | 108.5 | 50% | 0.503 | 64% | 0.643 | S | S | . | * | S | Bend | trans | 112.9 | 92.8 | 162 | -49.6 | 0 | 0 | 0 | 0 | 116.8 | G200 V201 | T191-G200 PolarHBondContact N-O 3.28Å; T191-V201 WeakPolarHBondContact O-CG2 3.44Å |
| 192 | G | 25.3 | Very low | 34.3 | Very low | 82 Ų | 82 | 102.8 Ų | 102.8 | 85% | 0.845 | 63% | 0.626 | S | S | * | * | trans | 158 | 87.1 | 147.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 193 | G | 26 | Very low | 34.2 | Very low | 72 Ų | 72 | 104.6 Ų | 104.6 | 74% | 0.742 | 64% | 0.639 | S | S | * | * | trans | 157.7 | 107.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | T195 | G193-T195 PolarHBondContact O-N 3.37Š| ||
| 194 | S | 35.9 | Very low | 34.4 | Very low | 116 Ų | 116 | 101.8 Ų | 101.8 | 81% | 0.811 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -45.7 | 123.3 | 174.7 | 46 | 0 | 0 | 0 | 0 | 113 | ||
| 195 | T | 40.5 | Very low | 34.3 | Very low | 132 Ų | 132 | 98.5 Ų | 98.5 | 81% | 0.81 | 63% | 0.629 | S | S | * | * | S | Bend | trans | 59.7 | 107.1 | 162.6 | -33.9 | 0 | 0 | 0 | 0 | 115.7 | G193 | G193-T195 PolarHBondContact O-N 3.37Š|
| 196 | S | 36.4 | Very low | 34.1 | Very low | 116 Ų | 116 | 98 Ų | 98 | 81% | 0.811 | 64% | 0.64 | S | S | * | * | S | Bend | trans | 93.4 | 131.2 | 163.3 | 78.2 | 0 | 0 | 0 | 0 | 118 | ||
| 197 | A | 33.9 | Very low | 33.8 | Very low | 88 Ų | 88 | 96.9 Ų | 96.9 | 73% | 0.727 | 64% | 0.643 | S | S | * | * | S | Bend | trans | 74.2 | 92.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 117 | G199 | A197-G199 PolarHBondContact O-N 2.88Š|
| 198 | I | 42.8 | Very low | 33.5 | Very low | 174 Ų | 174 | 97.5 Ų | 97.5 | 89% | 0.892 | 66% | 0.661 | S | S | * | * | S | Bend | trans | 33 | 70 | 131.2 | -53.4 | 174.3 | 0 | 0 | 0 | 112.4 | Q189 | Q189-I198 PolarHBondContact OE1-O 2.95Š|
| 199 | G | 29.1 | Very low | 33.8 | Very low | 47 Ų | 47 | 102.7 Ų | 102.7 | 49% | 0.485 | 68% | 0.678 | S | S | . | * | trans | 105.4 | 160.7 | 132.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | Q189 A197 | Q189-G199 PolarHBondContact NE2-O 3.28Å; Q189-G199 PolarHBondContact OE1-O 3.3Å; A197-G199 PolarHBondContact O-N 2.88Å | ||
| 200 | G | 30.1 | Very low | 33.8 | Very low | 20 Ų | 20 | 102.3 Ų | 102.3 | 21% | 0.206 | 69% | 0.691 | C | S | . | * | trans | 164.9 | 130.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q189 I190 T191 | Q189-G200 VanDerWaalsContact C-C 3.46Å; Q189-G200 CarbonylContact C-O 3.45Å; Q189-G200 VanDerWaalsContact CA-CA 3.47Å; Q189-G200 VanDerWaalsContact CD-CA 3.5Å; Q189-G200 VanDerWaalsContact CG-CA 3.44Å; I190-G200 CarbonylContact C-O 3.55Å; I190-G200 VanDerWaalsContact CA-O 3.3Å; I190-G200 WeakPolarHBondContact CA-O 3.09Å; I190-G200 VanDerWaalsContact N-C 3.26Å; I190-G200 PolarHBondContact N-O 3.1Å; T191-G200 PolarHBondContact N-O 3.28Å | ||
| 201 | V | 31.3 | Very low | 33.8 | Very low | 69 Ų | 69 | 102 Ų | 102 | 42% | 0.418 | 70% | 0.696 | S | S | . | * | trans | 106.3 | 115.3 | 173.6 | -169 | 0 | 0 | 0 | 0 | 119.1 | Q189 I190 T191 | Q189-V201 CarbonylContact C-O 3.49Å; Q189-V201 VanDerWaalsContact CA-N 3.35Å; Q189-V201 PolarHBondContact N-O 3.11Å; I190-V201 PolarHBondContact N-O 3.34Å; I190-V201 VanDerWaalsContact O-CB 3.23Å; I190-V201 WeakPolarHBondContact O-CB 3.45Å; T191-V201 WeakPolarHBondContact O-CG2 3.44Å | ||
| 202 | A | 38.6 | Very low | 34.1 | Very low | 41 Ų | 41 | 105.4 Ų | 105.4 | 34% | 0.339 | 72% | 0.716 | S | S | . | * | trans | -134.8 | 141.8 | 137 | 0 | 0 | 0 | 0 | 0 | 105.5 | I187 | I187-A202 HydrophobicContact CB-CB 3.68Å; I187-A202 HydrophobicContact CG1-CB 3.92Å; I187-A202 VanDerWaalsContact CG2-CA 3.49Å; I187-A202 HydrophobicContact CG2-CB 3.12Å; I187-A202 WeakPolarHBondContact CG2-O 3.06Å | ||
| 203 | T | 38.3 | Very low | 34.3 | Very low | 121 Ų | 121 | 107 Ų | 107 | 74% | 0.742 | 71% | 0.71 | S | S | * | * | trans | -166.6 | 81.4 | 168 | 32.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 204 | I | 40.7 | Very low | 34.9 | Very low | 139 Ų | 139 | 112.9 Ų | 112.9 | 71% | 0.713 | 72% | 0.72 | S | S | * | * | trans | -132.4 | 87.5 | 158.8 | -54.7 | 178.6 | 0 | 0 | 0 | 106.8 | ||||
| 205 | T | 37.4 | Very low | 34.6 | Very low | 129 Ų | 129 | 110.5 Ų | 110.5 | 79% | 0.791 | 71% | 0.714 | S | S | * | * | trans | -144.3 | 101.5 | 161.6 | -61.1 | 0 | 0 | 0 | 0 | 106 | ||||
| 206 | G | 29.5 | Very low | 34.1 | Very low | 71 Ų | 71 | 110.7 Ų | 110.7 | 73% | 0.732 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -177 | -31.6 | 178 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 207 | L | 28.3 | Very low | 33.9 | Very low | 180 Ų | 180 | 110.4 Ų | 110.4 | 94% | 0.942 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -132.6 | 41.1 | -167.1 | -77.6 | 168.4 | 0 | 0 | 0 | 115.6 | ||
| 208 | A | 33.1 | Very low | 33.8 | Very low | 95 Ų | 95 | 114.7 Ų | 114.7 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -124.6 | 14.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 209 | L | 36.3 | Very low | 33.2 | Very low | 176 Ų | 176 | 113.2 Ų | 113.2 | 92% | 0.921 | 72% | 0.716 | S | S | * | * | trans | -127.4 | 31.4 | -179.8 | -73.6 | 175.5 | 0 | 0 | 0 | 114.2 | ||||
| 210 | A | 28.9 | Very low | 33.6 | Very low | 86 Ų | 86 | 117.9 Ų | 117.9 | 71% | 0.711 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -95.8 | 124.4 | 155.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | V212 | A210-V212 PolarHBondContact O-N 3.49Š|
| 211 | P | 34.6 | Very low | 33.6 | Very low | 106 Ų | 106 | 123.6 Ų | 123.6 | 69% | 0.688 | 76% | 0.759 | S | S | * | * | trans | -55.9 | 128 | 172.4 | -20.1 | 31.4 | 0 | 0 | 0 | 109.1 | T213 | P211-T213 HydrophobicContact CB-CG2 4.08Å; P211-T213 PolarHBondContact O-N 3.29Å | ||
| 212 | V | 39.3 | Very low | 33.6 | Very low | 153 Ų | 153 | 123.9 Ų | 123.9 | 93% | 0.927 | 77% | 0.769 | S | S | * | * | trans | -65.5 | 86.6 | 163.8 | 176.9 | 0 | 0 | 0 | 0 | 106.7 | A210 | A210-V212 PolarHBondContact O-N 3.49Š| ||
| 213 | T | 28.9 | Very low | 33 | Very low | 117 Ų | 117 | 129.1 Ų | 129.1 | 72% | 0.718 | 80% | 0.796 | S | S | * | * | trans | -113.8 | 106.7 | 166.9 | 52.9 | 0 | 0 | 0 | 0 | 107.4 | P211 | P211-T213 HydrophobicContact CB-CG2 4.08Å; P211-T213 PolarHBondContact O-N 3.29Å | ||
| 214 | M | 38.9 | Very low | 32.3 | Very low | 194 Ų | 194 | 126.4 Ų | 126.4 | 96% | 0.956 | 79% | 0.792 | S | S | * | * | trans | -2.7 | 126.3 | 163 | -71.6 | 171.1 | 157.2 | 0 | 0 | 117.4 | ||||
| 215 | G | 28.7 | Very low | 31.7 | Very low | 66 Ų | 66 | 128.8 Ų | 128.8 | 68% | 0.68 | 81% | 0.805 | S | S | * | * | trans | 105 | 115.6 | 144.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 216 | T | 31.6 | Very low | 31.1 | Very low | 137 Ų | 137 | 126.2 Ų | 126.2 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | trans | 55.3 | 112.1 | 154.3 | 58.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 217 | S | 32.2 | Very low | 31.5 | Very low | 110 Ų | 110 | 129.7 Ų | 129.7 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | trans | 85.3 | 105.7 | 145.2 | -48.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 218 | L | 32.2 | Very low | 31.8 | Very low | 178 Ų | 178 | 125.8 Ų | 125.8 | 93% | 0.932 | 81% | 0.805 | S | S | * | * | trans | -106.9 | 90.7 | 160.9 | -127.9 | 155.7 | 0 | 0 | 0 | 108.3 | ||||
| 219 | I | 29.9 | Very low | 31.9 | Very low | 143 Ų | 143 | 127.1 Ų | 127.1 | 73% | 0.733 | 80% | 0.803 | S | S | * | * | trans | -78.6 | 121.3 | 164 | -64.8 | 172.7 | 0 | 0 | 0 | 107.1 | ||||
| 220 | I | 36.5 | Very low | 31.9 | Very low | 144 Ų | 144 | 123.6 Ų | 123.6 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | trans | 6.3 | 121.9 | 152.8 | -56 | 161.8 | 0 | 0 | 0 | 115.7 | ||||
| 221 | T | 31.6 | Very low | 31.8 | Very low | 140 Ų | 140 | 123.7 Ų | 123.7 | 86% | 0.859 | 81% | 0.809 | S | S | * | * | trans | -151.5 | 112.6 | 134.9 | -58.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 222 | A | 30.3 | Very low | 31.3 | Very low | 75 Ų | 75 | 122.8 Ų | 122.8 | 62% | 0.62 | 82% | 0.819 | S | S | * | * | trans | -85.1 | 170.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 223 | V | 26.7 | Very low | 30.8 | Very low | 152 Ų | 152 | 123.4 Ų | 123.4 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | trans | 81 | 129.8 | 169.5 | -162.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 224 | G | 22 | Very low | 31 | Very low | 63 Ų | 63 | 123.3 Ų | 123.3 | 65% | 0.649 | 82% | 0.816 | S | S | * | * | cis | 167.9 | 152.4 | 4.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 225 | L | 29.4 | Very low | 30.8 | Very low | 189 Ų | 189 | 119.3 Ų | 119.3 | 99% | 0.99 | 81% | 0.806 | S | S | * | * | trans | 30.9 | 122.9 | 151.1 | -66.3 | 161 | 0 | 0 | 0 | 120.6 | ||||
| 226 | G | 23.9 | Very low | 30.8 | Very low | 76 Ų | 76 | 121.3 Ų | 121.3 | 78% | 0.784 | 82% | 0.817 | S | S | * | * | trans | -171.6 | 86.6 | 159.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A228 | G226-A228 PolarHBondContact O-N 2.88Š| ||
| 227 | V | 38.4 | Very low | 30.7 | Very low | 144 Ų | 144 | 118.4 Ų | 118.4 | 87% | 0.873 | 81% | 0.814 | S | S | * | * | trans | -63.9 | 119.3 | 163 | 172 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 228 | A | 34 | Very low | 30.8 | Very low | 97 Ų | 97 | 118.8 Ų | 118.8 | 80% | 0.802 | 82% | 0.824 | S | S | * | * | trans | -131.6 | 117.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | G226 | G226-A228 PolarHBondContact O-N 2.88Š| ||
| 229 | T | 34.9 | Very low | 30.6 | Very low | 123 Ų | 123 | 113.1 Ų | 113.1 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | trans | -62.2 | 148.4 | 179.7 | 46.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 230 | A | 37.9 | Very low | 30.8 | Very low | 102 Ų | 102 | 114.2 Ų | 114.2 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | S | Bend | trans | 44.2 | 110.6 | 142.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||
| 231 | G | 25.9 | Very low | 30.7 | Very low | 89 Ų | 89 | 111.6 Ų | 111.6 | 92% | 0.918 | 81% | 0.808 | S | S | * | * | trans | 91.7 | 112.2 | 142.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 232 | G | 24.8 | Very low | 31 | Very low | 86 Ų | 86 | 112.2 Ų | 112.2 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | trans | 171.5 | 109.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 233 | L | 27.9 | Very low | 31.4 | Very low | 166 Ų | 166 | 117.3 Ų | 117.3 | 87% | 0.869 | 82% | 0.818 | S | S | * | * | trans | -100.1 | 152 | -168.2 | -109.4 | 161.2 | 0 | 0 | 0 | 111.2 | ||||
| 234 | T | 32.5 | Very low | 31.8 | Very low | 116 Ų | 116 | 115.6 Ų | 115.6 | 71% | 0.712 | 81% | 0.807 | S | S | * | * | trans | 104.5 | 123 | 143.7 | -42.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 235 | S | 34.9 | Very low | 32.7 | Very low | 109 Ų | 109 | 116.5 Ų | 116.5 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | 70.3 | 97.3 | 140.8 | 66.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 236 | A | 30.3 | Very low | 33.5 | Very low | 109 Ų | 109 | 111.9 Ų | 111.9 | 90% | 0.901 | 77% | 0.774 | S | S | * | * | S | Bend | -167.3 | 126.3 | 109.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | |||
| 237 | G | 28.2 | Very low | 34.4 | Very low | 76 Ų | 76 | 111.2 Ų | 111.2 | 78% | 0.784 | 76% | 0.757 | S | S | * | * | trans | 120.7 | 37.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | G239 | G237-G239 PolarHBondContact O-N 3.09Š| ||
| 238 | A | 34.1 | Very low | 35 | Very low | 118 Ų | 118 | 107.9 Ų | 107.9 | 98% | 0.975 | 73% | 0.734 | S | S | * | * | trans | -70.7 | 87.7 | 151.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 239 | G | 29 | Very low | 36.2 | Very low | 59 Ų | 59 | 106 Ų | 106 | 61% | 0.608 | 71% | 0.71 | S | S | * | * | trans | -136.5 | 92 | 175.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | G237 | G237-G239 PolarHBondContact O-N 3.09Š| ||
| 240 | I | 34.4 | Very low | 37.8 | Very low | 165 Ų | 165 | 103.8 Ų | 103.8 | 85% | 0.846 | 69% | 0.688 | S | S | * | * | trans | 24 | 109.2 | 157.4 | -48.4 | 172.6 | 0 | 0 | 0 | 115.3 | ||||
| 241 | S | 33.7 | Very low | 39.2 | Very low | 89 Ų | 89 | 106 Ų | 106 | 62% | 0.622 | 68% | 0.678 | S | S | * | * | trans | -138.4 | 71.8 | 148.8 | -155.5 | 0 | 0 | 0 | 0 | 111 | V244 | S241-V244 WeakPolarHBondContact OG-CG2 3.15Š| ||
| 242 | N | 38 | Very low | 41.5 | Very low | 154 Ų | 154 | 106.9 Ų | 106.9 | 82% | 0.824 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -106.3 | 48.9 | 157.9 | -99.7 | 2.4 | 0 | 0 | 0 | 109 | ||
| 243 | Q | 39.1 | Very low | 43.8 | Very low | 182 Ų | 182 | 102.9 Ų | 102.9 | 85% | 0.85 | 62% | 0.616 | S | S | * | * | trans | -167.5 | 56.9 | 168.8 | -155.7 | 114.8 | -24.3 | 0 | 0 | 113.3 | N245 | Q243-N245 PolarHBondContact O-N 3.46Š| ||
| 244 | V | 34.7 | Very low | 46.2 | Very low | 115 Ų | 115 | 97.7 Ų | 97.7 | 70% | 0.697 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -98.9 | 87.1 | 165.1 | -158.1 | 0 | 0 | 0 | 0 | 109 | S241 N246 | S241-V244 WeakPolarHBondContact OG-CG2 3.15Å; V244-N246 PolarHBondContact O-N 3.15Å |
| 245 | N | 41.4 | Very low | 48.5 | Very low | 82 Ų | 82 | 98.2 Ų | 98.2 | 44% | 0.439 | 58% | 0.579 | S | S | . | * | trans | 20.9 | 85.8 | 156.4 | -162.1 | 10.1 | 0 | 0 | 0 | 117.9 | Q243 S247 L248 | Q243-N245 PolarHBondContact O-N 3.46Å; N245-S247 PolarHBondContact O-N 3.09Å; N245-S247 PolarHBondContact OD1-OG 2.95Å; N245-L248 HydrophobicContact CB-CD1 3.78Å; N245-L248 HydrophobicContact CB-CG 4.04Å; N245-L248 WeakPolarHBondContact ND2-CD1 3.25Å; N245-L248 WeakPolarHBondContact ND2-CG 3.33Å; N245-L248 PolarHBondContact O-N 2.92Å | ||
| 246 | N | 45.9 | Very low | 50.6 | Low | 93 Ų | 93 | 93.9 Ų | 93.9 | 50% | 0.497 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -3.2 | 177.4 | -119.4 | -9.4 | 0 | 0 | 0 | 116.5 | V244 K365 | V244-N246 PolarHBondContact O-N 3.15Å; N246-K365 WeakPolarHBondContact ND2-CE 3.16Å; N246-K365 PolarHBondContact O-NZ 3.22Å; N246-K365 WeakPolarHBondContact OD1-CE 2.98Å; N246-K365 PolarHBondContact OD1-NZ 3.42Å |
| 247 | S | 42.5 | Very low | 53 | Low | 62 Ų | 62 | 88.8 Ų | 88.8 | 43% | 0.434 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -11.3 | -179.4 | 71.2 | 0 | 0 | 0 | 0 | 113.7 | N245 | N245-S247 PolarHBondContact O-N 3.09Å; N245-S247 PolarHBondContact OD1-OG 2.95Å |
| 248 | L | 50.5 | Low | 55.6 | Low | 74 Ų | 74 | 89.7 Ų | 89.7 | 39% | 0.387 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -77.7 | -31.5 | -179.2 | -64.3 | 174.8 | 0 | 0 | 0 | 112.6 | N245 K252 | N245-L248 HydrophobicContact CB-CD1 3.78Å; N245-L248 HydrophobicContact CB-CG 4.04Å; N245-L248 WeakPolarHBondContact ND2-CD1 3.25Å; N245-L248 WeakPolarHBondContact ND2-CG 3.33Å; N245-L248 PolarHBondContact O-N 2.92Å; L248-K252 VanDerWaalsContact O-CB 3.31Å; L248-K252 WeakPolarHBondContact O-CB 3.48Å; L248-K252 WeakPolarHBondContact O-CD 3.43Å; L248-K252 WeakPolarHBondContact O-CG 3.28Å; L248-K252 PolarHBondContact O-N 3.21Å; L248-K252 VanDerWaalsContact O-N 3.1Å |
| 249 | D | 60.5 | Low | 58 | Low | 56 Ų | 56 | 86.1 Ų | 86.1 | 30% | 0.299 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -76 | -31.8 | -176.3 | -59.8 | -25 | 0 | 0 | 0 | 112.6 | V253 | D249-V253 WeakPolarHBondContact O-CB 3.37Å; D249-V253 VanDerWaalsContact O-CG2 3.26Å; D249-V253 WeakPolarHBondContact O-CG2 3.42Å; D249-V253 PolarHBondContact O-N 3.44Å |
| 250 | R | 66.9 | Low | 60.5 | Low | 77 Ų | 77 | 83.4 Ų | 83.4 | 29% | 0.291 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.5 | -57 | 174.3 | -166.7 | 177.6 | 166.8 | 141.5 | 7.7 | 110.7 | K252 V253 E254 M358 D359 F362 | R250-K252 VanDerWaalsContact C-N 3.25Å; R250-K252 PolarHBondContact O-N 2.97Å; R250-V253 PolarHBondContact O-N 2.71Å; R250-E254 VanDerWaalsContact O-CB 3.25Å; R250-E254 WeakPolarHBondContact O-CB 3.39Å; R250-E254 PolarHBondContact O-N 2.91Å; R250-M358 HydrophobicContact CG-CE 4Å; R250-M358 HydrophobicContact CG-CG 4.23Å; R250-M358 HydrophobicContact CG-SD 3.65Å; R250-D359 IonicContact CZ-OD1 3.56Å; R250-D359 IonicContact NH1-OD1 3.78Å; R250-D359 IonicContact NH2-OD1 2.74Å; R250-D359 PolarHBondContact NH2-OD1 3.14Å; R250-F362 HydrophobicContact CB-CD1 4.46Å; R250-F362 HydrophobicContact CB-CD2 4.3Å; R250-F362 HydrophobicContact CB-CE1 3.76Å; R250-F362 HydrophobicContact CB-CE2 3.6Å; R250-F362 HydrophobicContact CB-CZ 3.32Å; R250-F362 HydrophobicContact CG-CD2 3.93Å; R250-F362 HydrophobicContact CG-CE1 4.34Å; R250-F362 HydrophobicContact CG-CE2 3.63Å; R250-F362 HydrophobicContact CG-CG 4.47Å; R250-F362 HydrophobicContact CG-CZ 3.89Å |
| 251 | K | 68.6 | Low | 62.8 | Low | 148 Ų | 148 | 77.7 Ų | 77.7 | 64% | 0.643 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -65.4 | -30.9 | -176.1 | -67.7 | -173.4 | 176 | -173.1 | 0 | 112 | K255 | K251-K255 WeakPolarHBondContact O-CB 3.34Å; K251-K255 PolarHBondContact O-N 3.46Å |
| 252 | K | 73.4 | Confident | 65.4 | Low | 109 Ų | 109 | 79.8 Ų | 79.8 | 47% | 0.474 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -68.5 | -49.2 | 172.9 | -76.8 | 172 | -177.3 | -176.7 | 0 | 111.7 | I174 L248 R250 K255 I256 | I174-K252 HydrophobicContact CD1-CB 4.42Å; L248-K252 VanDerWaalsContact O-CB 3.31Å; L248-K252 WeakPolarHBondContact O-CB 3.48Å; L248-K252 WeakPolarHBondContact O-CD 3.43Å; L248-K252 WeakPolarHBondContact O-CG 3.28Å; L248-K252 PolarHBondContact O-N 3.21Å; L248-K252 VanDerWaalsContact O-N 3.1Å; R250-K252 VanDerWaalsContact C-N 3.25Å; R250-K252 PolarHBondContact O-N 2.97Å; K252-K255 PolarHBondContact O-N 2.96Å; K252-I256 WeakPolarHBondContact O-CB 3.43Å; K252-I256 WeakPolarHBondContact O-CD1 3.46Å; K252-I256 WeakPolarHBondContact O-CG1 3.13Å; K252-I256 PolarHBondContact O-N 2.68Å |
| 253 | V | 73.4 | Confident | 67.7 | Low | 2 Ų | 2 | 74.5 Ų | 74.5 | 1% | 0.012 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.1 | -47.5 | 176.5 | 173.5 | 0 | 0 | 0 | 0 | 110.3 | L171 I174 D249 R250 K255 I256 V257 L354 M358 I382 | L171-V253 HydrophobicContact CD2-CG1 4.28Å; I174-V253 HydrophobicContact CD1-CG2 3.74Å; I174-V253 HydrophobicContact CG2-CG2 3.78Å; D249-V253 WeakPolarHBondContact O-CB 3.37Å; D249-V253 VanDerWaalsContact O-CG2 3.26Å; D249-V253 WeakPolarHBondContact O-CG2 3.42Å; D249-V253 PolarHBondContact O-N 3.44Å; R250-V253 PolarHBondContact O-N 2.71Å; V253-K255 PolarHBondContact O-N 3.01Å; V253-I256 PolarHBondContact O-N 3.18Å; V253-V257 HydrophobicContact CG1-CG2 4.12Å; V253-V257 WeakPolarHBondContact O-CB 3.29Å; V253-V257 WeakPolarHBondContact O-CG2 3.24Å; V253-V257 PolarHBondContact O-N 2.85Å; V253-L354 HydrophobicContact CG1-CD2 3.94Å; V253-L354 HydrophobicContact CG1-CG 4.5Å; V253-M358 HydrophobicContact CB-SD 4.34Å; V253-M358 HydrophobicContact CG1-SD 4.2Å; V253-I382 HydrophobicContact CG2-CD1 4.31Å |
| 254 | E | 78.5 | Confident | 69.9 | Low | 57 Ų | 57 | 65.9 Ų | 65.9 | 27% | 0.266 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -55.4 | -51.1 | 176.1 | 178.3 | 164.7 | -143.7 | 0 | 0 | 111.2 | R250 I256 V257 E258 F355 M358 | R250-E254 VanDerWaalsContact O-CB 3.25Å; R250-E254 WeakPolarHBondContact O-CB 3.39Å; R250-E254 PolarHBondContact O-N 2.91Å; E254-I256 PolarHBondContact O-N 3.25Å; E254-V257 PolarHBondContact O-N 3.3Å; E254-E258 WeakPolarHBondContact O-CB 3.37Å; E254-E258 VanDerWaalsContact O-CG 3.27Å; E254-E258 WeakPolarHBondContact O-CG 3.37Å; E254-E258 PolarHBondContact O-N 2.99Å; E254-F355 HydrophobicContact CB-CE1 4.25Å; E254-F355 HydrophobicContact CG-CE1 3.96Å; E254-F355 HydrophobicContact CG-CZ 4.43Å; E254-M358 HydrophobicContact CB-CE 4.37Å |
| 255 | K | 79.6 | Confident | 72.4 | Confident | 126 Ų | 126 | 62 Ų | 62 | 55% | 0.548 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.3 | -45.4 | 176.8 | -173.2 | 179.2 | -179.4 | -174.1 | 0 | 112.7 | K251 K252 V253 V257 E258 D259 | K251-K255 WeakPolarHBondContact O-CB 3.34Å; K251-K255 PolarHBondContact O-N 3.46Å; K252-K255 PolarHBondContact O-N 2.96Å; V253-K255 PolarHBondContact O-N 3.01Å; K255-V257 VanDerWaalsContact C-N 3.3Å; K255-V257 PolarHBondContact O-N 3.47Å; K255-E258 PolarHBondContact O-N 3.46Å; K255-D259 WeakPolarHBondContact CE-OD2 3.32Å; K255-D259 WeakPolarHBondContact O-CB 3.49Å; K255-D259 PolarHBondContact O-N 3.3Å |
| 256 | I | 80.3 | Confident | 74.6 | Confident | 18 Ų | 18 | 60.1 Ų | 60.1 | 9% | 0.092 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.1 | -42.3 | 178.6 | -74.1 | 159.9 | 0 | 0 | 0 | 110.9 | H167 D170 L171 I174 K252 V253 E254 Y260 | H167-I256 HydrophobicContact CB-CG2 3.78Å; H167-I256 PolarHBondContact CD2-O 2.96Å; D170-I256 HydrophobicContact CB-CD1 3.6Å; D170-I256 HydrophobicContact CB-CG1 4.3Å; L171-I256 HydrophobicContact CD1-CG2 4.26Å; L171-I256 HydrophobicContact CD2-CG2 3.84Å; L171-I256 HydrophobicContact CG-CG2 3.7Å; I174-I256 HydrophobicContact CD1-CD1 3.52Å; K252-I256 WeakPolarHBondContact O-CB 3.43Å; K252-I256 WeakPolarHBondContact O-CD1 3.46Å; K252-I256 WeakPolarHBondContact O-CG1 3.13Å; K252-I256 PolarHBondContact O-N 2.68Å; V253-I256 PolarHBondContact O-N 3.18Å; E254-I256 PolarHBondContact O-N 3.25Å; I256-Y260 VanDerWaalsContact O-CB 3.28Å; I256-Y260 WeakPolarHBondContact O-CB 3.36Å; I256-Y260 PolarHBondContact O-N 3.43Å |
| 257 | V | 79.7 | Confident | 76.5 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.012 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.7 | -47.3 | 179 | 168.1 | 0 | 0 | 0 | 0 | 110.9 | L171 V253 E254 K255 Y260 Q261 L351 L354 F355 | L171-V257 HydrophobicContact CD2-CG2 4.48Å; V253-V257 HydrophobicContact CG1-CG2 4.12Å; V253-V257 WeakPolarHBondContact O-CB 3.29Å; V253-V257 WeakPolarHBondContact O-CG2 3.24Å; V253-V257 PolarHBondContact O-N 2.85Å; E254-V257 PolarHBondContact O-N 3.3Å; K255-V257 VanDerWaalsContact C-N 3.3Å; K255-V257 PolarHBondContact O-N 3.47Å; V257-Y260 PolarHBondContact O-N 3.25Å; V257-Q261 HydrophobicContact CG1-CG 4.37Å; V257-Q261 WeakPolarHBondContact O-CB 3.41Å; V257-Q261 WeakPolarHBondContact O-CG 3.34Å; V257-Q261 PolarHBondContact O-N 2.87Å; V257-L351 HydrophobicContact CB-CD2 4.19Å; V257-L351 HydrophobicContact CG1-CB 3.86Å; V257-L351 HydrophobicContact CG1-CD2 3.82Å; V257-L351 HydrophobicContact CG1-CG 4.29Å; V257-L351 HydrophobicContact CG2-CD2 3.82Å; V257-L354 HydrophobicContact CG2-CD2 3.83Å; V257-F355 HydrophobicContact CB-CE2 4.17Å; V257-F355 HydrophobicContact CB-CZ 4.1Å; V257-F355 HydrophobicContact CG1-CD2 4.09Å; V257-F355 HydrophobicContact CG1-CE2 3.21Å; V257-F355 HydrophobicContact CG1-CZ 3.61Å |
| 258 | E | 84.1 | Confident | 78.7 | Confident | 95 Ų | 95 | 53.4 Ų | 53.4 | 44% | 0.444 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.1 | -50.2 | 176.3 | -74.1 | 174.2 | 172.2 | 0 | 0 | 110.9 | E254 K255 Y260 Q261 E262 F355 | E254-E258 WeakPolarHBondContact O-CB 3.37Å; E254-E258 VanDerWaalsContact O-CG 3.27Å; E254-E258 WeakPolarHBondContact O-CG 3.37Å; E254-E258 PolarHBondContact O-N 2.99Å; K255-E258 PolarHBondContact O-N 3.46Å; E258-Y260 VanDerWaalsContact C-N 3.26Å; E258-Y260 PolarHBondContact O-N 2.81Å; E258-Q261 PolarHBondContact O-N 3.41Å; E258-Q261 VanDerWaalsContact O-N 3.14Å; E258-E262 WeakPolarHBondContact O-CB 3.34Å; E258-E262 PolarHBondContact O-N 3.39Å; E258-F355 HydrophobicContact CG-CZ 4.49Å |
| 259 | D | 83 | Confident | 80.6 | Confident | 44 Ų | 44 | 55.7 Ų | 55.7 | 24% | 0.235 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.8 | -33.4 | 179.2 | -76.8 | -8.8 | 0 | 0 | 0 | 111.7 | H167 K255 K263 | H167-D259 VanDerWaalsContact NE2-CB 3.29Å; H167-D259 WeakPolarHBondContact NE2-CB 3.4Å; K255-D259 WeakPolarHBondContact CE-OD2 3.32Å; K255-D259 WeakPolarHBondContact O-CB 3.49Å; K255-D259 PolarHBondContact O-N 3.3Å; D259-K263 WeakPolarHBondContact O-CB 3.46Å; D259-K263 VanDerWaalsContact O-CG 3.23Å; D259-K263 WeakPolarHBondContact O-CG 3.42Å; D259-K263 PolarHBondContact O-N 2.96Å; D259-K263 PolarHBondContact O-NZ 2.91Å |
| 260 | Y | 82.9 | Confident | 82 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.008 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -72.2 | -47.2 | 173.1 | -172.3 | -72.2 | 0 | 0 | 0 | 111.4 | L164 H167 V168 I256 V257 E258 E262 K263 I264 A347 L351 L389 L393 | L164-Y260 HydrophobicContact CB-CE2 4.14Å; L164-Y260 HydrophobicContact CD2-CD1 4.09Å; L164-Y260 HydrophobicContact CD2-CD2 3.6Å; L164-Y260 HydrophobicContact CD2-CE1 4.08Å; L164-Y260 HydrophobicContact CD2-CE2 3.59Å; L164-Y260 HydrophobicContact CD2-CG 3.86Å; L164-Y260 HydrophobicContact CG-CE2 4.49Å; H167-Y260 HydrophobicContact CB-CD2 3.88Å; V168-Y260 HydrophobicContact CG2-CE2 4.16Å; I256-Y260 VanDerWaalsContact O-CB 3.28Å; I256-Y260 WeakPolarHBondContact O-CB 3.36Å; I256-Y260 PolarHBondContact O-N 3.43Å; V257-Y260 PolarHBondContact O-N 3.25Å; E258-Y260 VanDerWaalsContact C-N 3.26Å; E258-Y260 PolarHBondContact O-N 2.81Å; Y260-E262 VanDerWaalsContact C-N 3.31Å; Y260-E262 PolarHBondContact O-N 3.19Å; Y260-K263 PolarHBondContact O-N 3.5Å; Y260-I264 HydrophobicContact CD1-CB 4.31Å; Y260-I264 HydrophobicContact CD1-CG2 4.2Å; Y260-I264 HydrophobicContact CE1-CB 4.04Å; Y260-I264 HydrophobicContact CE1-CG1 4.29Å; Y260-I264 HydrophobicContact CE1-CG2 4.16Å; Y260-I264 PolarHBondContact O-N 3.42Å; Y260-A347 HydrophobicContact CE1-CB 4.2Å; Y260-L351 HydrophobicContact CD1-CD1 3.33Å; Y260-L351 HydrophobicContact CE1-CD1 3.91Å; Y260-L351 HydrophobicContact CG-CD1 4.05Å; Y260-L389 HydrophobicContact CD1-CD2 4.45Å; Y260-L389 HydrophobicContact CD2-CD1 4.38Å; Y260-L389 HydrophobicContact CE1-CD2 3.73Å; Y260-L389 HydrophobicContact CE2-CB 4.23Å; Y260-L389 HydrophobicContact CE2-CD1 4.17Å; Y260-L389 HydrophobicContact CE2-CD2 4.48Å; Y260-L393 HydrophobicContact CE2-CD1 4.27Å |
| 261 | Q | 83.1 | Confident | 83 | Confident | 45 Ų | 45 | 49.4 Ų | 49.4 | 21% | 0.21 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.4 | -41.2 | -179.9 | -78.2 | -174.8 | -31.5 | 0 | 0 | 111.4 | V257 E258 I264 A265 L351 | V257-Q261 HydrophobicContact CG1-CG 4.37Å; V257-Q261 WeakPolarHBondContact O-CB 3.41Å; V257-Q261 WeakPolarHBondContact O-CG 3.34Å; V257-Q261 PolarHBondContact O-N 2.87Å; E258-Q261 PolarHBondContact O-N 3.41Å; E258-Q261 VanDerWaalsContact O-N 3.14Å; Q261-I264 WeakPolarHBondContact O-CG2 3.5Å; Q261-A265 VanDerWaalsContact O-CB 3.25Å; Q261-A265 WeakPolarHBondContact O-CB 3.41Å; Q261-A265 PolarHBondContact O-N 2.92Å; Q261-L351 HydrophobicContact CG-CB 4.16Å; Q261-L351 HydrophobicContact CG-CD1 3.61Å; Q261-L351 HydrophobicContact CG-CG 4.49Å |
| 262 | E | 88.3 | Confident | 84 | Confident | 132 Ų | 132 | 47.7 Ų | 47.7 | 62% | 0.617 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -61.7 | -48.4 | 174.8 | -174.4 | -179.3 | -168.3 | 0 | 0 | 111.1 | E258 Y260 I264 A265 | E258-E262 WeakPolarHBondContact O-CB 3.34Å; E258-E262 PolarHBondContact O-N 3.39Å; Y260-E262 VanDerWaalsContact C-N 3.31Å; Y260-E262 PolarHBondContact O-N 3.19Å; E262-I264 PolarHBondContact O-N 3.25Å; E262-A265 WeakPolarHBondContact O-CB 3.34Å; E262-A265 PolarHBondContact O-N 2.98Å |
| 263 | K | 84.9 | Confident | 84.7 | Confident | 43 Ų | 43 | 43.3 Ų | 43.3 | 19% | 0.187 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.8 | -40.7 | -178.7 | -74 | 178 | -166.1 | 79.8 | 0 | 112.6 | R160 S163 L164 H167 D259 Y260 A265 | R160-K263 WeakPolarHBondContact CD-O 3.07Å; R160-K263 PolarHBondContact NH1-O 3.27Å; S163-K263 WeakPolarHBondContact OG-CD 3.33Å; S163-K263 WeakPolarHBondContact OG-CE 3.44Å; L164-K263 HydrophobicContact CD2-CB 3.74Å; L164-K263 HydrophobicContact CG-CB 4.19Å; H167-K263 PolarHBondContact CE1-NZ 2.93Å; D259-K263 WeakPolarHBondContact O-CB 3.46Å; D259-K263 VanDerWaalsContact O-CG 3.23Å; D259-K263 WeakPolarHBondContact O-CG 3.42Å; D259-K263 PolarHBondContact O-N 2.96Å; D259-K263 PolarHBondContact O-NZ 2.91Å; Y260-K263 PolarHBondContact O-N 3.5Å; K263-A265 VanDerWaalsContact C-N 3.34Å |
| 264 | I | 84.9 | Confident | 85.3 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -76.9 | -20.1 | 178.8 | -154 | 67.2 | 0 | 0 | 0 | 112.5 | L164 Y260 Q261 E262 L267 N268 A344 L396 | L164-I264 HydrophobicContact CD1-CD1 4.25Å; L164-I264 HydrophobicContact CD2-CB 4.48Å; Y260-I264 HydrophobicContact CD1-CB 4.31Å; Y260-I264 HydrophobicContact CD1-CG2 4.2Å; Y260-I264 HydrophobicContact CE1-CB 4.04Å; Y260-I264 HydrophobicContact CE1-CG1 4.29Å; Y260-I264 HydrophobicContact CE1-CG2 4.16Å; Y260-I264 PolarHBondContact O-N 3.42Å; Q261-I264 WeakPolarHBondContact O-CG2 3.5Å; E262-I264 PolarHBondContact O-N 3.25Å; I264-L267 HydrophobicContact CD1-CB 4.38Å; I264-L267 HydrophobicContact CD1-CD1 3.83Å; I264-L267 PolarHBondContact O-N 3.14Å; I264-N268 WeakPolarHBondContact O-CB 3.45Å; I264-N268 PolarHBondContact O-N 2.92Å; I264-A344 HydrophobicContact CG1-CB 4.42Å; I264-L396 HydrophobicContact CD1-CD1 3.89Å |
| 265 | A | 88.3 | Confident | 85.7 | Confident | 35 Ų | 35 | 43.6 Ų | 43.6 | 29% | 0.289 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.1 | -46.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q261 E262 K263 N268 K269 | Q261-A265 VanDerWaalsContact O-CB 3.25Å; Q261-A265 WeakPolarHBondContact O-CB 3.41Å; Q261-A265 PolarHBondContact O-N 2.92Å; E262-A265 WeakPolarHBondContact O-CB 3.34Å; E262-A265 PolarHBondContact O-N 2.98Å; K263-A265 VanDerWaalsContact C-N 3.34Å; A265-N268 WeakPolarHBondContact O-CB 3.11Å; A265-N268 PolarHBondContact O-N 3.22Å; A265-K269 WeakPolarHBondContact O-CG 3.35Å; A265-K269 PolarHBondContact O-N 3.5Å |
| 266 | D | 87.1 | Confident | 86 | Confident | 42 Ų | 42 | 41 Ų | 41 | 23% | 0.225 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -72.2 | -33.1 | -179.9 | -55.2 | -39.4 | 0 | 0 | 0 | 112.1 | L156 R160 N268 K269 C270 | L156-D266 HydrophobicContact CD1-CB 4.41Å; R160-D266 IonicContact CZ-OD2 2.74Å; R160-D266 VanDerWaalsContact CZ-OD2 3.25Å; R160-D266 IonicContact NH1-OD2 3.4Å; R160-D266 PolarHBondContact NH1-OD2 3.42Å; R160-D266 IonicContact NH2-OD2 3.7Å; R160-D266 PolarHBondContact NH2-OD2 2.98Å; D266-N268 VanDerWaalsContact C-N 3.31Å; D266-N268 PolarHBondContact O-N 2.75Å; D266-K269 PolarHBondContact O-N 3.15Å; D266-K269 IonicContact OD1-NZ 2.76Å; D266-K269 PolarHBondContact OD1-NZ 3.11Å; D266-C270 WeakPolarHBondContact O-CB 3.33Å; D266-C270 PolarHBondContact O-N 3.37Å |
| 267 | L | 87 | Confident | 86.1 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.3 | -46.2 | 169 | -72.9 | 169.2 | 0 | 0 | 0 | 110.5 | F153 L156 F157 L164 I264 K269 C270 L271 | F153-L267 HydrophobicContact CD2-CD2 3.86Å; F153-L267 HydrophobicContact CE2-CD2 3.93Å; L156-L267 HydrophobicContact CB-CD2 3.6Å; L156-L267 HydrophobicContact CB-CG 4.4Å; F157-L267 HydrophobicContact CB-CD2 3.95Å; F157-L267 HydrophobicContact CD2-CD1 4.32Å; F157-L267 HydrophobicContact CD2-CD2 4.42Å; L164-L267 HydrophobicContact CD1-CD1 3.82Å; I264-L267 HydrophobicContact CD1-CB 4.38Å; I264-L267 HydrophobicContact CD1-CD1 3.83Å; I264-L267 PolarHBondContact O-N 3.14Å; L267-K269 PolarHBondContact O-N 2.72Å; L267-C270 PolarHBondContact O-N 3.02Å; L267-L271 WeakPolarHBondContact O-CB 3.26Å; L267-L271 VanDerWaalsContact O-CG 3.24Å; L267-L271 WeakPolarHBondContact O-CG 3.45Å; L267-L271 PolarHBondContact O-N 3.32Å |
| 268 | N | 87.6 | Confident | 86.1 | Confident | 13 Ų | 13 | 40.1 Ų | 40.1 | 7% | 0.07 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.9 | -40.4 | 178.6 | -161.1 | -12.2 | 0 | 0 | 0 | 112.1 | I264 A265 D266 L271 K272 A344 | I264-N268 WeakPolarHBondContact O-CB 3.45Å; I264-N268 PolarHBondContact O-N 2.92Å; A265-N268 WeakPolarHBondContact O-CB 3.11Å; A265-N268 PolarHBondContact O-N 3.22Å; D266-N268 VanDerWaalsContact C-N 3.31Å; D266-N268 PolarHBondContact O-N 2.75Å; N268-L271 PolarHBondContact O-N 3.32Å; N268-K272 WeakPolarHBondContact O-CB 3.43Å; N268-K272 VanDerWaalsContact O-CG 3.29Å; N268-K272 WeakPolarHBondContact O-CG 3.12Å; N268-K272 PolarHBondContact O-N 3.07Å; N268-K272 WeakPolarHBondContact OD1-CE 3.46Å; N268-A344 HydrophobicContact CB-CB 3.89Å |
| 269 | K | 90.4 | Very high | 86 | Confident | 123 Ų | 123 | 39 Ų | 39 | 54% | 0.535 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -59.4 | -46.9 | 173.1 | -69.6 | 172.6 | -163.8 | 157.2 | 0 | 111.1 | W115 A265 D266 L267 K272 F273 | W115-K269 HydrophobicContact CZ2-CB 4.44Å; A265-K269 WeakPolarHBondContact O-CG 3.35Å; A265-K269 PolarHBondContact O-N 3.5Å; D266-K269 PolarHBondContact O-N 3.15Å; D266-K269 IonicContact OD1-NZ 2.76Å; D266-K269 PolarHBondContact OD1-NZ 3.11Å; L267-K269 PolarHBondContact O-N 2.72Å; K269-K272 PolarHBondContact O-N 2.96Å; K269-F273 PolarHBondContact O-N 3.41Å |
| 270 | C | 89.9 | Confident | 85.9 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.9 | -46.9 | 178.5 | -167.9 | 0 | 0 | 0 | 0 | 112.2 | W115 G149 F153 L156 D266 L267 K272 F273 I274 | W115-C270 VanDerWaalsContact CH2-CA 3.47Å; W115-C270 HydrophobicContact CH2-CB 3.96Å; W115-C270 HydrophobicContact CZ2-CB 3.73Å; G149-C270 PolarHBondContact O-SG 3.21Å; F153-C270 PolarHBondContact N-SG 3.25Å; L156-C270 HydrophobicContact CD1-CB 4.15Å; D266-C270 WeakPolarHBondContact O-CB 3.33Å; D266-C270 PolarHBondContact O-N 3.37Å; L267-C270 PolarHBondContact O-N 3.02Å; C270-K272 VanDerWaalsContact C-N 3.34Å; C270-K272 PolarHBondContact O-N 3.42Å; C270-F273 WeakPolarHBondContact O-CB 3.45Å; C270-F273 PolarHBondContact O-N 3.27Å; C270-F273 VanDerWaalsContact O-N 3.12Å; C270-I274 WeakPolarHBondContact O-CG1 3.11Å; C270-I274 PolarHBondContact O-N 2.94Å |
| 271 | L | 87.2 | Confident | 85.6 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.8 | -39 | 176.8 | -71.9 | 170 | 0 | 0 | 0 | 112.6 | F153 L267 N268 I274 K275 A340 V341 A344 L396 | F153-L271 HydrophobicContact CD1-CD2 4.39Å; F153-L271 HydrophobicContact CD2-CD1 4.33Å; F153-L271 HydrophobicContact CD2-CD2 3.56Å; F153-L271 HydrophobicContact CD2-CG 3.76Å; F153-L271 HydrophobicContact CE1-CD2 4.33Å; F153-L271 HydrophobicContact CE2-CD1 3.85Å; F153-L271 HydrophobicContact CE2-CD2 3.53Å; F153-L271 HydrophobicContact CE2-CG 3.76Å; F153-L271 HydrophobicContact CG-CD2 4.01Å; F153-L271 HydrophobicContact CZ-CD2 3.93Å; L267-L271 WeakPolarHBondContact O-CB 3.26Å; L267-L271 VanDerWaalsContact O-CG 3.24Å; L267-L271 WeakPolarHBondContact O-CG 3.45Å; L267-L271 PolarHBondContact O-N 3.32Å; N268-L271 PolarHBondContact O-N 3.32Å; L271-I274 PolarHBondContact O-N 3.03Å; L271-K275 VanDerWaalsContact O-CB 3.3Å; L271-K275 WeakPolarHBondContact O-CB 3.36Å; L271-K275 PolarHBondContact O-N 3.19Å; L271-A340 HydrophobicContact CB-CB 4.46Å; L271-A340 HydrophobicContact CD1-CB 3.76Å; L271-A340 HydrophobicContact CD2-CB 3.5Å; L271-A340 VanDerWaalsContact CD2-CB 3.5Å; L271-A340 HydrophobicContact CG-CB 4.09Å; L271-V341 VanDerWaalsContact C-CG2 3.48Å; L271-V341 HydrophobicContact CB-CG2 3.81Å; L271-V341 WeakPolarHBondContact O-CG2 3.35Å; L271-A344 HydrophobicContact CD1-CB 4.29Å; L271-L396 HydrophobicContact CD1-CD2 3.72Å |
| 272 | K | 89.6 | Confident | 85.2 | Confident | 112 Ų | 112 | 39.8 Ų | 39.8 | 49% | 0.487 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.7 | -41.8 | 173.3 | -76.5 | 174.3 | -178.7 | 176 | 0 | 111.8 | N268 K269 C270 K275 Q276 V341 | N268-K272 WeakPolarHBondContact O-CB 3.43Å; N268-K272 VanDerWaalsContact O-CG 3.29Å; N268-K272 WeakPolarHBondContact O-CG 3.12Å; N268-K272 PolarHBondContact O-N 3.07Å; N268-K272 WeakPolarHBondContact OD1-CE 3.46Å; K269-K272 PolarHBondContact O-N 2.96Å; C270-K272 VanDerWaalsContact C-N 3.34Å; C270-K272 PolarHBondContact O-N 3.42Å; K272-K275 PolarHBondContact O-N 3.48Å; K272-Q276 WeakPolarHBondContact O-CB 3.46Å; K272-Q276 PolarHBondContact O-N 3.46Å; K272-V341 HydrophobicContact CB-CG2 4.49Å; K272-V341 HydrophobicContact CG-CG1 3.8Å; K272-V341 HydrophobicContact CG-CG2 3.93Å |
| 273 | F | 89.9 | Confident | 84.5 | Confident | 18 Ų | 18 | 38.9 Ų | 38.9 | 8% | 0.079 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61 | -47.4 | 175.7 | 177.8 | -88.7 | 0 | 0 | 0 | 111.4 | W114 W115 V118 W121 K145 K269 C270 Q276 G277 | W114-F273 HydrophobicContact CH2-CE1 4Å; W114-F273 HydrophobicContact CH2-CZ 4.21Å; W114-F273 HydrophobicContact CZ2-CZ 4.37Å; W115-F273 HydrophobicContact CH2-CB 3.77Å; W115-F273 HydrophobicContact CH2-CD1 4.45Å; W115-F273 HydrophobicContact CH2-CG 4.03Å; W115-F273 HydrophobicContact CZ3-CB 4.03Å; W115-F273 AromaticContact CZ3-CD1 3.85Å; W115-F273 HydrophobicContact CZ3-CD1 3.85Å; W115-F273 HydrophobicContact CZ3-CD2 4.22Å; W115-F273 HydrophobicContact CZ3-CE1 4.37Å; W115-F273 AromaticContact CZ3-CG 3.77Å; W115-F273 HydrophobicContact CZ3-CG 3.77Å; V118-F273 HydrophobicContact CG1-CE2 4.31Å; V118-F273 HydrophobicContact CG2-CE2 4.09Å; V118-F273 HydrophobicContact CG2-CZ 3.99Å; W121-F273 AromaticContact CD1-CD2 3.88Å; W121-F273 HydrophobicContact CD2-CE2 4.3Å; W121-F273 AromaticContact CE2-CD2 3.97Å; W121-F273 AromaticContact CE2-CE2 3.62Å; W121-F273 AromaticContact CE2-CZ 3.7Å; W121-F273 HydrophobicContact CH2-CZ 4.18Å; W121-F273 HydrophobicContact CZ2-CD1 4.23Å; W121-F273 HydrophobicContact CZ2-CD2 4.45Å; W121-F273 AromaticContact CZ2-CE1 3.64Å; W121-F273 HydrophobicContact CZ2-CE1 3.64Å; W121-F273 AromaticContact CZ2-CE2 3.9Å; W121-F273 HydrophobicContact CZ2-CE2 3.9Å; W121-F273 AromaticContact CZ2-CZ 3.46Å; W121-F273 HydrophobicContact CZ2-CZ 3.46Å; W121-F273 VanDerWaalsContact CZ2-CZ 3.46Å; W121-F273 AromaticContact NE1-CD2 3.35Å; W121-F273 VanDerWaalsContact NE1-CD2 3.35Å; W121-F273 AromaticContact NE1-CE2 3.49Å; W121-F273 AromaticContact NE1-CG 3.7Å; W121-F273 AromaticContact NE1-CZ 3.94Å; W121-F273 PolarHBondContact NE1-O 2.79Å; K145-F273 HydrophobicContact CB-CZ 4.25Å; K269-F273 PolarHBondContact O-N 3.41Å; C270-F273 WeakPolarHBondContact O-CB 3.45Å; C270-F273 PolarHBondContact O-N 3.27Å; C270-F273 VanDerWaalsContact O-N 3.12Å; F273-Q276 PolarHBondContact O-N 3.36Å; F273-G277 PolarHBondContact O-N 3.02Å |
| 274 | I | 86 | Confident | 83.7 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.9 | -47.3 | 177 | -65.5 | 162.8 | 0 | 0 | 0 | 110.5 | I150 F153 C270 L271 Q276 G277 I278 A337 | I150-I274 HydrophobicContact CG1-CD1 4.05Å; I150-I274 HydrophobicContact CG1-CG1 4.22Å; I150-I274 HydrophobicContact CG1-CG2 4Å; F153-I274 HydrophobicContact CB-CD1 3.72Å; F153-I274 HydrophobicContact CG-CD1 4.37Å; C270-I274 WeakPolarHBondContact O-CG1 3.11Å; C270-I274 PolarHBondContact O-N 2.94Å; L271-I274 PolarHBondContact O-N 3.03Å; I274-Q276 PolarHBondContact O-N 2.98Å; I274-G277 PolarHBondContact O-N 3.47Å; I274-I278 HydrophobicContact CG2-CD1 3.75Å; I274-I278 HydrophobicContact CG2-CG1 4.41Å; I274-I278 WeakPolarHBondContact O-CG1 3.42Å; I274-I278 PolarHBondContact O-N 3.45Å; I274-A337 HydrophobicContact CG2-CB 4.26Å |
| 275 | K | 85.1 | Confident | 82.7 | Confident | 64 Ų | 64 | 40.8 Ų | 40.8 | 28% | 0.278 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -55.8 | -50.3 | 178.2 | -177 | -166 | 168.6 | -168.3 | 0 | 111.3 | L271 K272 G277 I278 E279 A337 A338 V341 | L271-K275 VanDerWaalsContact O-CB 3.3Å; L271-K275 WeakPolarHBondContact O-CB 3.36Å; L271-K275 PolarHBondContact O-N 3.19Å; K272-K275 PolarHBondContact O-N 3.48Å; K275-G277 VanDerWaalsContact C-N 3.34Å; K275-G277 PolarHBondContact O-N 2.98Å; K275-I278 PolarHBondContact O-N 2.92Å; K275-E279 WeakPolarHBondContact CE-OE1 3.21Å; K275-E279 IonicContact NZ-OE1 2.7Å; K275-E279 WeakPolarHBondContact O-CG 3.24Å; K275-E279 PolarHBondContact O-N 3.15Å; K275-A337 HydrophobicContact CB-CB 4.03Å; K275-A337 HydrophobicContact CG-CB 4.47Å; K275-A338 HydrophobicContact CD-CB 4.45Å; K275-V341 HydrophobicContact CB-CG2 4.14Å; K275-V341 HydrophobicContact CD-CB 4.44Å; K275-V341 HydrophobicContact CD-CG2 4.09Å |
| 276 | Q | 86.3 | Confident | 81.1 | Confident | 72 Ų | 72 | 40.7 Ų | 40.7 | 34% | 0.336 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63 | -40.7 | 179.5 | -172 | 70.9 | 23.7 | 0 | 0 | 111.7 | W121 K272 F273 I274 E279 N280 | W121-Q276 HydrophobicContact CB-CG 4.04Å; W121-Q276 VanDerWaalsContact CD1-CB 3.5Å; W121-Q276 HydrophobicContact CG-CB 4.33Å; W121-Q276 HydrophobicContact CG-CG 3.79Å; K272-Q276 WeakPolarHBondContact O-CB 3.46Å; K272-Q276 PolarHBondContact O-N 3.46Å; F273-Q276 PolarHBondContact O-N 3.36Å; I274-Q276 PolarHBondContact O-N 2.98Å; Q276-E279 PolarHBondContact O-N 3.23Å; Q276-N280 PolarHBondContact O-N 2.9Å |
| 277 | G | 83.1 | Confident | 79.1 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.9 | -40.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V146 F273 I274 K275 N280 L281 | V146-G277 VanDerWaalsContact CG2-C 3.48Å; V146-G277 VanDerWaalsContact CG2-CA 3.49Å; F273-G277 PolarHBondContact O-N 3.02Å; I274-G277 PolarHBondContact O-N 3.47Å; K275-G277 VanDerWaalsContact C-N 3.34Å; K275-G277 PolarHBondContact O-N 2.98Å; G277-N280 PolarHBondContact O-N 2.93Å; G277-L281 VanDerWaalsContact O-CG 3.29Å; G277-L281 WeakPolarHBondContact O-CG 3.49Å; G277-L281 PolarHBondContact O-N 3.28Å |
| 278 | I | 80.3 | Confident | 77.3 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.2 | -40.7 | 173.2 | -69.3 | 167.5 | 0 | 0 | 0 | 111.5 | V146 I274 K275 N280 L281 R282 I329 A333 G334 A337 | V146-I278 HydrophobicContact CG1-CG1 4.14Å; I274-I278 HydrophobicContact CG2-CD1 3.75Å; I274-I278 HydrophobicContact CG2-CG1 4.41Å; I274-I278 WeakPolarHBondContact O-CG1 3.42Å; I274-I278 PolarHBondContact O-N 3.45Å; K275-I278 PolarHBondContact O-N 2.92Å; I278-N280 VanDerWaalsContact C-N 3.33Å; I278-L281 PolarHBondContact O-N 2.89Å; I278-R282 WeakPolarHBondContact O-CG 3.11Å; I278-R282 PolarHBondContact O-N 2.96Å; I278-R282 VanDerWaalsContact O-N 3.1Å; I278-I329 HydrophobicContact CD1-CG2 3.84Å; I278-I329 HydrophobicContact CG1-CG2 4.11Å; I278-A333 HydrophobicContact CD1-CB 4.48Å; I278-G334 VanDerWaalsContact CG2-CA 3.46Å; I278-A337 HydrophobicContact CD1-CB 3.77Å |
| 279 | E | 81.6 | Confident | 75.5 | Confident | 71 Ų | 71 | 51.6 Ų | 51.6 | 33% | 0.332 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.4 | -39.1 | 174.2 | -73.1 | 175.8 | -178.4 | 0 | 0 | 111.8 | K275 Q276 R282 K283 | K275-E279 WeakPolarHBondContact CE-OE1 3.21Å; K275-E279 IonicContact NZ-OE1 2.7Å; K275-E279 WeakPolarHBondContact O-CG 3.24Å; K275-E279 PolarHBondContact O-N 3.15Å; Q276-E279 PolarHBondContact O-N 3.23Å; E279-R282 PolarHBondContact O-N 2.88Å; E279-K283 PolarHBondContact O-N 3.42Å |
| 280 | N | 81 | Confident | 73.2 | Confident | 3 Ų | 3 | 53.1 Ų | 53.1 | 2% | 0.016 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.7 | -41.4 | 173.3 | -72.7 | -15.1 | 0 | 0 | 0 | 111.8 | T142 Q276 G277 I278 R282 K283 F284 | T142-N280 HydrophobicContact CG2-CB 3.97Å; Q276-N280 PolarHBondContact O-N 2.9Å; G277-N280 PolarHBondContact O-N 2.93Å; I278-N280 VanDerWaalsContact C-N 3.33Å; N280-R282 PolarHBondContact O-N 3.27Å; N280-K283 WeakPolarHBondContact O-CB 3.24Å; N280-K283 PolarHBondContact O-N 3.45Å; N280-K283 VanDerWaalsContact O-N 3.09Å; N280-K283 PolarHBondContact OD1-NZ 3.42Å; N280-F284 VanDerWaalsContact O-CD2 3.24Å; N280-F284 WeakPolarHBondContact O-CD2 3.41Å; N280-F284 WeakPolarHBondContact O-CE2 3.35Å |
| 281 | L | 76.2 | Confident | 70.8 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60 | -33.1 | 175.5 | -72.3 | 166.8 | 0 | 0 | 0 | 112.9 | F139 T142 A143 V146 G277 I278 K283 F284 V326 A330 | F139-L281 HydrophobicContact CD2-CD2 3.67Å; F139-L281 HydrophobicContact CE2-CB 4.46Å; F139-L281 HydrophobicContact CE2-CD2 3.46Å; F139-L281 VanDerWaalsContact CE2-CD2 3.46Å; F139-L281 HydrophobicContact CG-CD2 4.4Å; F139-L281 HydrophobicContact CZ-CD2 4.01Å; T142-L281 HydrophobicContact CG2-CD2 3.75Å; T142-L281 HydrophobicContact CG2-CG 3.72Å; A143-L281 HydrophobicContact CB-CD2 4.21Å; V146-L281 HydrophobicContact CB-CD1 4.21Å; V146-L281 HydrophobicContact CG1-CD1 4.3Å; V146-L281 HydrophobicContact CG2-CD1 3.85Å; G277-L281 VanDerWaalsContact O-CG 3.29Å; G277-L281 WeakPolarHBondContact O-CG 3.49Å; G277-L281 PolarHBondContact O-N 3.28Å; I278-L281 PolarHBondContact O-N 2.89Å; L281-K283 VanDerWaalsContact C-N 3.32Å; L281-F284 PolarHBondContact O-N 3.47Å; L281-V326 HydrophobicContact CD1-CG1 3.27Å; L281-V326 HydrophobicContact CD2-CG1 3.93Å; L281-V326 HydrophobicContact CG-CG1 4.23Å; L281-A330 HydrophobicContact CB-CB 3.96Å; L281-A330 HydrophobicContact CD1-CB 4.4Å |
| 282 | R | 73.8 | Confident | 68.6 | Low | 105 Ų | 105 | 63 Ų | 63 | 40% | 0.396 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -73.9 | -18.9 | 177.2 | -74.7 | 175.7 | 174.3 | 158.7 | -8.1 | 114.5 | I278 E279 N280 F284 A330 | I278-R282 WeakPolarHBondContact O-CG 3.11Å; I278-R282 PolarHBondContact O-N 2.96Å; I278-R282 VanDerWaalsContact O-N 3.1Å; E279-R282 PolarHBondContact O-N 2.88Å; N280-R282 PolarHBondContact O-N 3.27Å; R282-F284 VanDerWaalsContact C-N 3.26Å; R282-A330 PolarHBondContact NE-O 2.88Å; R282-A330 PolarHBondContact NH2-O 3.03Å |
| 283 | K | 74.1 | Confident | 66.4 | Low | 114 Ų | 114 | 60.6 Ų | 60.6 | 50% | 0.496 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -73 | -23.2 | 176.6 | -66 | 172.2 | -174.6 | 166.4 | 0 | 111.8 | E279 N280 L281 | E279-K283 PolarHBondContact O-N 3.42Å; N280-K283 WeakPolarHBondContact O-CB 3.24Å; N280-K283 PolarHBondContact O-N 3.45Å; N280-K283 VanDerWaalsContact O-N 3.09Å; N280-K283 PolarHBondContact OD1-NZ 3.42Å; L281-K283 VanDerWaalsContact C-N 3.32Å |
| 284 | F | 69.4 | Low | 63.9 | Low | 19 Ų | 19 | 69.5 Ų | 69.5 | 8% | 0.083 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -75.1 | 142.2 | 174.7 | -62 | -76.3 | 0 | 0 | 0 | 110.8 | E135 A138 F139 N280 L281 R282 L286 M289 | E135-F284 HydrophobicContact CG-CD1 3.63Å; E135-F284 HydrophobicContact CG-CE1 4.13Å; A138-F284 HydrophobicContact CB-CE1 3.79Å; A138-F284 HydrophobicContact CB-CZ 3.77Å; F139-F284 HydrophobicContact CB-CD1 4.33Å; F139-F284 HydrophobicContact CB-CD2 4.27Å; F139-F284 HydrophobicContact CB-CE1 4.47Å; F139-F284 HydrophobicContact CB-CE2 4.41Å; F139-F284 HydrophobicContact CB-CG 4.22Å; F139-F284 HydrophobicContact CD2-CB 4Å; F139-F284 AromaticContact CD2-CD2 3.71Å; F139-F284 HydrophobicContact CD2-CD2 3.71Å; F139-F284 HydrophobicContact CD2-CE2 4.4Å; F139-F284 AromaticContact CD2-CG 3.93Å; F139-F284 HydrophobicContact CD2-CG 3.93Å; F139-F284 HydrophobicContact CG-CD2 4.49Å; N280-F284 VanDerWaalsContact O-CD2 3.24Å; N280-F284 WeakPolarHBondContact O-CD2 3.41Å; N280-F284 WeakPolarHBondContact O-CE2 3.35Å; L281-F284 PolarHBondContact O-N 3.47Å; R282-F284 VanDerWaalsContact C-N 3.26Å; F284-L286 VanDerWaalsContact C-N 3.29Å; F284-L286 PolarHBondContact O-N 3.35Å; F284-M289 HydrophobicContact CB-CE 4.12Å |
| 285 | D | 62.4 | Low | 61.5 | Low | 64 Ų | 64 | 74 Ų | 74 | 34% | 0.342 | 35% | 0.349 | S | S | . | . | trans | -76.3 | 84.7 | 178.7 | -164.6 | -15.3 | 0 | 0 | 0 | 109.9 | E135 I287 K288 M289 | E135-D285 PolarHBondContact OE1-N 3.26Å; D285-I287 PolarHBondContact O-N 2.89Å; D285-I287 WeakPolarHBondContact OD1-CB 3.33Å; D285-I287 PolarHBondContact OD1-N 3.43Å; D285-K288 HydrophobicContact CB-CB 4.16Å; D285-K288 HydrophobicContact CB-CD 3.99Å; D285-K288 HydrophobicContact CB-CG 4.1Å; D285-K288 WeakPolarHBondContact O-CB 3.25Å; D285-K288 PolarHBondContact O-N 2.85Å; D285-K288 PolarHBondContact OD1-N 3.23Å; D285-K288 WeakPolarHBondContact OD2-CD 3.4Å; D285-K288 VanDerWaalsContact OD2-CE 3.27Å; D285-K288 WeakPolarHBondContact OD2-CE 3.36Å; D285-K288 WeakPolarHBondContact OD2-CG 3.19Å; D285-M289 PolarHBondContact O-N 2.97Å; D285-M289 VanDerWaalsContact O-N 3.09Å | ||
| 286 | L | 55.8 | Low | 59.5 | Low | 33 Ų | 33 | 80.2 Ų | 80.2 | 17% | 0.173 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -55.4 | -23.7 | 178.6 | -71.5 | 164.9 | 0 | 0 | 0 | 112.4 | F139 F284 M289 K290 V327 | F139-L286 HydrophobicContact CE2-CD2 3.84Å; F139-L286 HydrophobicContact CZ-CD2 4.17Å; F284-L286 VanDerWaalsContact C-N 3.29Å; F284-L286 PolarHBondContact O-N 3.35Å; L286-M289 HydrophobicContact CD2-CE 4.26Å; L286-K290 WeakPolarHBondContact O-CB 3.4Å; L286-K290 PolarHBondContact O-N 3.39Å; L286-V327 HydrophobicContact CD2-CG1 4.15Å; L286-V327 HydrophobicContact CD2-CG2 3.89Å |
| 287 | I | 44.4 | Very low | 57.2 | Low | 136 Ų | 136 | 82.6 Ų | 82.6 | 70% | 0.697 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -76.7 | -39.9 | 178.6 | -59.9 | 175.4 | 0 | 0 | 0 | 110.6 | D285 K291 | D285-I287 PolarHBondContact O-N 2.89Å; D285-I287 WeakPolarHBondContact OD1-CB 3.33Å; D285-I287 PolarHBondContact OD1-N 3.43Å; I287-K291 PolarHBondContact O-N 3.47Å |
| 288 | K | 49.9 | Very low | 55 | Low | 126 Ų | 126 | 85 Ų | 85 | 55% | 0.548 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.3 | -45.5 | 170.2 | -73.8 | -179.8 | -170.9 | 174 | 0 | 110.9 | D285 K291 S292 | D285-K288 HydrophobicContact CB-CB 4.16Å; D285-K288 HydrophobicContact CB-CD 3.99Å; D285-K288 HydrophobicContact CB-CG 4.1Å; D285-K288 WeakPolarHBondContact O-CB 3.25Å; D285-K288 PolarHBondContact O-N 2.85Å; D285-K288 PolarHBondContact OD1-N 3.23Å; D285-K288 WeakPolarHBondContact OD2-CD 3.4Å; D285-K288 VanDerWaalsContact OD2-CE 3.27Å; D285-K288 WeakPolarHBondContact OD2-CE 3.36Å; D285-K288 WeakPolarHBondContact OD2-CG 3.19Å; K288-K291 WeakPolarHBondContact O-CB 3.48Å; K288-K291 PolarHBondContact O-N 2.96Å; K288-S292 PolarHBondContact O-N 2.91Å; K288-S292 VanDerWaalsContact O-N 3.16Å |
| 289 | M | 48.8 | Very low | 53 | Low | 23 Ų | 23 | 88.1 Ų | 88.1 | 11% | 0.113 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -68.6 | -36.1 | 179.2 | -70 | -151.8 | -70.3 | 0 | 0 | 113.8 | F139 F284 D285 L286 K291 S292 A293 | F139-M289 HydrophobicContact CB-CE 3.79Å; F139-M289 HydrophobicContact CB-SD 4.06Å; F139-M289 HydrophobicContact CD1-CE 3.64Å; F139-M289 HydrophobicContact CD1-SD 4.15Å; F139-M289 HydrophobicContact CD2-CE 3.15Å; F139-M289 HydrophobicContact CD2-SD 4.45Å; F139-M289 HydrophobicContact CE1-CE 3.99Å; F139-M289 HydrophobicContact CE2-CE 3.51Å; F139-M289 HydrophobicContact CG-CE 3.21Å; F139-M289 HydrophobicContact CG-SD 3.96Å; F139-M289 HydrophobicContact CZ-CE 3.93Å; F284-M289 HydrophobicContact CB-CE 4.12Å; D285-M289 PolarHBondContact O-N 2.97Å; D285-M289 VanDerWaalsContact O-N 3.09Å; L286-M289 HydrophobicContact CD2-CE 4.26Å; M289-K291 VanDerWaalsContact C-N 3.27Å; M289-K291 PolarHBondContact O-N 3.41Å; M289-S292 CarbonylContact O-C 3.35Å; M289-S292 PolarHBondContact O-N 3.43Å; M289-A293 VanDerWaalsContact O-CB 3.27Å; M289-A293 WeakPolarHBondContact O-CB 3.31Å; M289-A293 PolarHBondContact O-N 2.83Å |
| 290 | K | 42.5 | Very low | 51 | Low | 154 Ų | 154 | 87.5 Ų | 87.5 | 67% | 0.67 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -63.1 | -35 | 173.9 | -175.9 | 177.5 | 179.8 | 178.8 | 0 | 111.9 | L286 A293 Y294 | L286-K290 WeakPolarHBondContact O-CB 3.4Å; L286-K290 PolarHBondContact O-N 3.39Å; K290-A293 PolarHBondContact O-N 2.93Å; K290-Y294 PolarHBondContact O-N 2.94Å; K290-Y294 VanDerWaalsContact O-N 3.08Å |
| 291 | K | 39.4 | Very low | 49.1 | Very low | 162 Ų | 162 | 88.8 Ų | 88.8 | 70% | 0.704 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -69.1 | -37.2 | 176 | -153.1 | 176.6 | -175.7 | -178.2 | 0 | 111.6 | I287 K288 M289 N295 | I287-K291 PolarHBondContact O-N 3.47Å; K288-K291 WeakPolarHBondContact O-CB 3.48Å; K288-K291 PolarHBondContact O-N 2.96Å; M289-K291 VanDerWaalsContact C-N 3.27Å; M289-K291 PolarHBondContact O-N 3.41Å; K291-N295 PolarHBondContact O-N 3.23Å |
| 292 | S | 42.2 | Very low | 47.5 | Very low | 45 Ų | 45 | 92.2 Ų | 92.2 | 32% | 0.315 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -78.2 | -18.1 | 172.5 | -63.1 | 0 | 0 | 0 | 0 | 114.6 | K288 M289 D297 F298 | K288-S292 PolarHBondContact O-N 2.91Å; K288-S292 VanDerWaalsContact O-N 3.16Å; M289-S292 CarbonylContact O-C 3.35Å; M289-S292 PolarHBondContact O-N 3.43Å; S292-D297 CarbonylContact O-C 3.28Å; S292-F298 PolarHBondContact O-N 2.87Å; S292-F298 VanDerWaalsContact O-N 3.09Å |
| 293 | A | 41.4 | Very low | 45.7 | Very low | 62 Ų | 62 | 91.7 Ų | 91.7 | 51% | 0.512 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -88.7 | -22.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | M289 K290 N295 | M289-A293 VanDerWaalsContact O-CB 3.27Å; M289-A293 WeakPolarHBondContact O-CB 3.31Å; M289-A293 PolarHBondContact O-N 2.83Å; K290-A293 PolarHBondContact O-N 2.93Å; A293-N295 CarbonylContact C-O 3.56Å; A293-N295 VanDerWaalsContact C-O 3.28Å |
| 294 | Y | 37.3 | Very low | 44 | Very low | 205 Ų | 205 | 93.8 Ų | 93.8 | 80% | 0.804 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -86.9 | -29 | 175.6 | -147.8 | -89.5 | 0 | 0 | 0 | 112.4 | K290 | K290-Y294 PolarHBondContact O-N 2.94Å; K290-Y294 VanDerWaalsContact O-N 3.08Å |
| 295 | N | 37.1 | Very low | 42.7 | Very low | 95 Ų | 95 | 98.3 Ų | 98.3 | 51% | 0.508 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -72.7 | 141.3 | 154.2 | -65.6 | -21.3 | 0 | 0 | 0 | 106.4 | K291 A293 D297 | K291-N295 PolarHBondContact O-N 3.23Å; A293-N295 CarbonylContact C-O 3.56Å; A293-N295 VanDerWaalsContact C-O 3.28Å; N295-D297 HydrophobicContact CB-CB 4.41Å; N295-D297 PolarHBondContact O-N 3.21Å |
| 296 | Q | 42.5 | Very low | 41.7 | Very low | 195 Ų | 195 | 105.6 Ų | 105.6 | 91% | 0.911 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 17.7 | 178.4 | -72.1 | 176.7 | -37.1 | 0 | 0 | 114.2 | ||
| 297 | D | 38.2 | Very low | 40.8 | Very low | 122 Ų | 122 | 113 Ų | 113 | 65% | 0.652 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.9 | 18.7 | -171.3 | -64 | -31.4 | 0 | 0 | 0 | 112.8 | S292 N295 P299 | S292-D297 CarbonylContact O-C 3.28Å; N295-D297 HydrophobicContact CB-CB 4.41Å; N295-D297 PolarHBondContact O-N 3.21Å; D297-P299 VanDerWaalsContact C-N 3.31Å; D297-P299 WeakPolarHBondContact O-CD 3.48Å |
| 298 | F | 37.7 | Very low | 40.4 | Very low | 50 Ų | 50 | 114.5 Ų | 114.5 | 22% | 0.219 | 57% | 0.571 | C | S | . | * | S | Bend | trans | -78.4 | 96.2 | 145.9 | -148.4 | -94.3 | 0 | 0 | 0 | 103.7 | A136 S292 A300 L301 I323 | A136-F298 HydrophobicContact CB-CE2 4.38Å; S292-F298 PolarHBondContact O-N 2.87Å; S292-F298 VanDerWaalsContact O-N 3.09Å; F298-A300 PolarHBondContact O-N 2.92Å; F298-L301 HydrophobicContact CE1-CD1 3.92Å; F298-L301 HydrophobicContact CE1-CG 4.08Å; F298-L301 HydrophobicContact CZ-CD1 4.34Å; F298-I323 HydrophobicContact CD1-CD1 4.18Å; F298-I323 HydrophobicContact CE1-CD1 3.53Å; F298-I323 HydrophobicContact CZ-CD1 4.04Å |
| 299 | P | 36.9 | Very low | 39.9 | Very low | 66 Ų | 66 | 112.7 Ų | 112.7 | 43% | 0.429 | 59% | 0.588 | S | S | . | * | trans | -58.4 | 125.3 | 175.4 | -2 | 19.4 | 0 | 0 | 0 | 102.7 | D297 L301 | D297-P299 VanDerWaalsContact C-N 3.31Å; D297-P299 WeakPolarHBondContact O-CD 3.48Å; P299-L301 PolarHBondContact O-N 3.46Å | ||
| 300 | A | 39.5 | Very low | 39 | Very low | 58 Ų | 58 | 116.3 Ų | 116.3 | 48% | 0.479 | 62% | 0.621 | S | S | . | * | trans | -39.1 | 114.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 105.3 | F298 T302 | F298-A300 PolarHBondContact O-N 2.92Å; A300-T302 HydrophobicContact CB-CG2 4.22Å; A300-T302 WeakPolarHBondContact CB-OG1 3.23Å; A300-T302 PolarHBondContact O-N 3.39Å | ||
| 301 | L | 41.8 | Very low | 38.8 | Very low | 31 Ų | 31 | 118.1 Ų | 118.1 | 16% | 0.162 | 63% | 0.634 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -66.6 | 26.6 | -176 | -74.3 | 172 | 0 | 0 | 0 | 110.7 | A140 F298 P299 F305 | A140-L301 HydrophobicContact CB-CD1 3.84Å; F298-L301 HydrophobicContact CE1-CD1 3.92Å; F298-L301 HydrophobicContact CE1-CG 4.08Å; F298-L301 HydrophobicContact CZ-CD1 4.34Å; P299-L301 PolarHBondContact O-N 3.46Å; L301-F305 HydrophobicContact CB-CE2 4.38Å; L301-F305 HydrophobicContact CD2-CE2 3.77Å; L301-F305 HydrophobicContact CD2-CZ 3.97Å |
| 302 | T | 41.9 | Very low | 38.8 | Very low | 72 Ų | 72 | 115.4 Ų | 115.4 | 44% | 0.442 | 64% | 0.643 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -116.3 | -9.4 | -159.7 | 61.8 | 0 | 0 | 0 | 0 | 112.3 | A300 L317 | A300-T302 HydrophobicContact CB-CG2 4.22Å; A300-T302 WeakPolarHBondContact CB-OG1 3.23Å; A300-T302 PolarHBondContact O-N 3.39Å; T302-L317 VanDerWaalsContact CB-CD2 3.41Å; T302-L317 HydrophobicContact CG2-CB 4.29Å; T302-L317 HydrophobicContact CG2-CD2 3.23Å; T302-L317 HydrophobicContact CG2-CG 4.33Å |
| 303 | S | 37.1 | Very low | 38.4 | Very low | 94 Ų | 94 | 117 Ų | 117 | 66% | 0.657 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -150.1 | -3.8 | -177.6 | 59 | 0 | 0 | 0 | 0 | 119.4 | ||
| 304 | Q | 37.2 | Very low | 38.1 | Very low | 158 Ų | 158 | 123.1 Ų | 123.1 | 74% | 0.738 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -101.8 | 12.5 | -179.1 | -131 | 170.5 | -6.1 | 0 | 0 | 114.8 | ||
| 305 | F | 42 | Very low | 38 | Very low | 113 Ų | 113 | 117.3 Ų | 117.3 | 50% | 0.496 | 68% | 0.675 | S | S | . | * | trans | -99.1 | 36.6 | -179.9 | -68.9 | -74.4 | 0 | 0 | 0 | 113.4 | L301 | L301-F305 HydrophobicContact CB-CE2 4.38Å; L301-F305 HydrophobicContact CD2-CE2 3.77Å; L301-F305 HydrophobicContact CD2-CZ 3.97Å | ||
| 306 | Y | 41.9 | Very low | 38.1 | Very low | 218 Ų | 218 | 116.6 Ų | 116.6 | 86% | 0.855 | 67% | 0.671 | S | S | * | * | trans | -108.5 | 2.9 | -174 | -124.9 | -86.7 | 0 | 0 | 0 | 115.9 | ||||
| 307 | E | 38 | Very low | 37.9 | Very low | 188 Ų | 188 | 112.2 Ų | 112.2 | 88% | 0.879 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -99.1 | -13.6 | -167.4 | -89.1 | -170.8 | 143.1 | 0 | 0 | 118.1 | ||
| 308 | D | 34.1 | Very low | 38.2 | Very low | 168 Ų | 168 | 107.1 Ų | 107.1 | 90% | 0.898 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -126.9 | 100.3 | 176.2 | -89.6 | -33 | 0 | 0 | 0 | 112.2 | A310 | D308-A310 PolarHBondContact O-N 2.87Š|
| 309 | G | 40.4 | Very low | 38.5 | Very low | 88 Ų | 88 | 109.4 Ų | 109.4 | 91% | 0.907 | 64% | 0.64 | S | S | * | * | trans | -66.1 | 109.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 310 | A | 30.5 | Very low | 38.8 | Very low | 98 Ų | 98 | 109.8 Ų | 109.8 | 81% | 0.81 | 65% | 0.648 | S | S | * | * | trans | -153.5 | 141.1 | 143.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | D308 | D308-A310 PolarHBondContact O-N 2.87Š| ||
| 311 | M | 38.2 | Very low | 39.1 | Very low | 192 Ų | 192 | 110.3 Ų | 110.3 | 95% | 0.946 | 64% | 0.643 | S | S | * | * | trans | -50.9 | 155.8 | -165.1 | -91.2 | -174.9 | -93.7 | 0 | 0 | 118.3 | ||||
| 312 | A | 38.7 | Very low | 39.4 | Very low | 106 Ų | 106 | 111.1 Ų | 111.1 | 88% | 0.876 | 65% | 0.646 | S | S | * | * | trans | 86.6 | 98.5 | 160.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 313 | G | 33.7 | Very low | 39.8 | Very low | 77 Ų | 77 | 109 Ų | 109 | 79% | 0.794 | 63% | 0.632 | S | S | * | * | cis | 97.1 | 62.5 | 33.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 314 | K | 36.3 | Very low | 40.3 | Very low | 192 Ų | 192 | 109.6 Ų | 109.6 | 84% | 0.835 | 63% | 0.625 | S | S | * | * | trans | -166.6 | 112.1 | 148.7 | -102.1 | 178.3 | -173.8 | -161.9 | 0 | 107.1 | I316 | K314-I316 PolarHBondContact O-N 3.14Š| ||
| 315 | A | 33.7 | Very low | 41.3 | Very low | 83 Ų | 83 | 105 Ų | 105 | 69% | 0.686 | 60% | 0.601 | S | S | * | * | trans | -64.5 | 118.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | L317 | A315-L317 HydrophobicContact CB-CD1 4.31Å; A315-L317 HydrophobicContact CB-CD2 3.98Å; A315-L317 HydrophobicContact CB-CG 3.73Å; A315-L317 PolarHBondContact O-N 2.78Å | ||
| 316 | I | 39 | Very low | 41.9 | Very low | 80 Ų | 80 | 99.7 Ų | 99.7 | 41% | 0.41 | 58% | 0.578 | S | S | . | * | trans | -79.6 | 77.1 | 166.3 | -60.5 | -178.5 | 0 | 0 | 0 | 106.3 | V141 K314 I318 | V141-I316 HydrophobicContact CG2-CD1 4.2Å; K314-I316 PolarHBondContact O-N 3.14Å; I316-I318 HydrophobicContact CG2-CD1 3.46Å; I316-I318 VanDerWaalsContact CG2-CD1 3.46Å; I316-I318 HydrophobicContact CG2-CG1 3.52Å; I316-I318 PolarHBondContact O-N 2.88Å | ||
| 317 | L | 39.2 | Very low | 42.6 | Very low | 103 Ų | 103 | 91 Ų | 91 | 54% | 0.539 | 55% | 0.548 | S | S | . | . | trans | -84.9 | 67 | 171.1 | -55 | 178.1 | 0 | 0 | 0 | 108.4 | T302 A315 N319 | T302-L317 VanDerWaalsContact CB-CD2 3.41Å; T302-L317 HydrophobicContact CG2-CB 4.29Å; T302-L317 HydrophobicContact CG2-CD2 3.23Å; T302-L317 HydrophobicContact CG2-CG 4.33Å; A315-L317 HydrophobicContact CB-CD1 4.31Å; A315-L317 HydrophobicContact CB-CD2 3.98Å; A315-L317 HydrophobicContact CB-CG 3.73Å; A315-L317 PolarHBondContact O-N 2.78Å; L317-N319 PolarHBondContact O-N 3.27Å; L317-N319 VanDerWaalsContact O-N 3.09Å | ||
| 318 | I | 44 | Very low | 43.5 | Very low | 14 Ų | 14 | 85.8 Ų | 85.8 | 7% | 0.072 | 52% | 0.523 | C | S | . | . | trans | -73.9 | 110.2 | 173.1 | -56.7 | 163.8 | 0 | 0 | 0 | 106.4 | A140 D144 I316 E322 I323 | A140-I318 HydrophobicContact CB-CD1 3.69Å; A140-I318 WeakPolarHBondContact O-CD1 3.3Å; D144-I318 HydrophobicContact CB-CD1 4.18Å; I316-I318 HydrophobicContact CG2-CD1 3.46Å; I316-I318 VanDerWaalsContact CG2-CD1 3.46Å; I316-I318 HydrophobicContact CG2-CG1 3.52Å; I316-I318 PolarHBondContact O-N 2.88Å; I318-E322 HydrophobicContact CG2-CB 3.83Å; I318-I323 HydrophobicContact CB-CG1 4.27Å; I318-I323 HydrophobicContact CG2-CD1 4.25Å; I318-I323 HydrophobicContact CG2-CG1 3.47Å; I318-I323 VanDerWaalsContact CG2-CG1 3.47Å | ||
| 319 | N | 45 | Very low | 44.6 | Very low | 98 Ų | 98 | 78 Ų | 78 | 52% | 0.524 | 48% | 0.482 | S | S | . | . | trans | -61 | 141.9 | 178 | -175.6 | -20.2 | 0 | 0 | 0 | 108.7 | L317 N321 E322 I323 | L317-N319 PolarHBondContact O-N 3.27Å; L317-N319 VanDerWaalsContact O-N 3.09Å; N319-N321 PolarHBondContact O-N 3.21Å; N319-N321 PolarHBondContact OD1-N 2.97Å; N319-N321 VanDerWaalsContact OD1-N 3.14Å; N319-E322 HydrophobicContact CB-CG 4.21Å; N319-E322 PolarHBondContact N-OE2 3.14Å; N319-E322 WeakPolarHBondContact O-CA 2.75Å; N319-E322 WeakPolarHBondContact O-CB 3.4Å; N319-E322 PolarHBondContact O-N 3.02Å; N319-I323 PolarHBondContact O-N 3.33Å | ||
| 320 | A | 43.4 | Very low | 45.4 | Very low | 74 Ų | 74 | 73.8 Ų | 73.8 | 61% | 0.612 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -52.2 | -29.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I323 M324 | A320-I323 PolarHBondContact O-N 2.76Å; A320-M324 WeakPolarHBondContact O-CB 3.41Å; A320-M324 PolarHBondContact O-N 3.48Å |
| 321 | N | 45.5 | Very low | 46.8 | Very low | 69 Ų | 69 | 74.2 Ų | 74.2 | 37% | 0.369 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.5 | -38.3 | 173.7 | -151.4 | 53.4 | 0 | 0 | 0 | 113.5 | N319 R325 P408 | N319-N321 PolarHBondContact O-N 3.21Å; N319-N321 PolarHBondContact OD1-N 2.97Å; N319-N321 VanDerWaalsContact OD1-N 3.14Å; N321-R325 WeakPolarHBondContact O-CB 3.14Å; N321-R325 PolarHBondContact O-N 3.29Å; N321-P408 VanDerWaalsContact CG-CG 3.45Å; N321-P408 VanDerWaalsContact ND2-CG 3.26Å; N321-P408 WeakPolarHBondContact ND2-CG 3.21Å; N321-P408 WeakPolarHBondContact OD1-CG 3.41Å |
| 322 | E | 48.6 | Very low | 47.7 | Very low | 49 Ų | 49 | 69.9 Ų | 69.9 | 23% | 0.229 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -75.8 | -37.9 | 177.2 | -67 | -176.1 | 139.1 | 0 | 0 | 111.3 | Q147 R151 I318 N319 R325 V326 | Q147-E322 PolarHBondContact NE2-OE1 3.03Å; R151-E322 IonicContact NH2-OE1 3.63Å; I318-E322 HydrophobicContact CG2-CB 3.83Å; N319-E322 HydrophobicContact CB-CG 4.21Å; N319-E322 PolarHBondContact N-OE2 3.14Å; N319-E322 WeakPolarHBondContact O-CA 2.75Å; N319-E322 WeakPolarHBondContact O-CB 3.4Å; N319-E322 PolarHBondContact O-N 3.02Å; E322-R325 WeakPolarHBondContact O-CB 2.89Å; E322-R325 PolarHBondContact O-N 3.5Å; E322-V326 VanDerWaalsContact O-CG2 3.23Å; E322-V326 WeakPolarHBondContact O-CG2 3.48Å; E322-V326 PolarHBondContact O-N 2.73Å |
| 323 | I | 49.8 | Very low | 48.6 | Very low | 27 Ų | 27 | 65 Ų | 65 | 14% | 0.138 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59 | -48.4 | 171.2 | -62.5 | -178.6 | 0 | 0 | 0 | 110.2 | F139 F298 I318 N319 A320 R325 V326 V327 | F139-I323 HydrophobicContact CE1-CG2 4.15Å; F298-I323 HydrophobicContact CD1-CD1 4.18Å; F298-I323 HydrophobicContact CE1-CD1 3.53Å; F298-I323 HydrophobicContact CZ-CD1 4.04Å; I318-I323 HydrophobicContact CB-CG1 4.27Å; I318-I323 HydrophobicContact CG2-CD1 4.25Å; I318-I323 HydrophobicContact CG2-CG1 3.47Å; I318-I323 VanDerWaalsContact CG2-CG1 3.47Å; N319-I323 PolarHBondContact O-N 3.33Å; A320-I323 PolarHBondContact O-N 2.76Å; I323-R325 VanDerWaalsContact C-N 3.32Å; I323-R325 PolarHBondContact O-N 3.1Å; I323-V326 PolarHBondContact O-N 2.83Å; I323-V327 HydrophobicContact CG2-CG2 4.36Å; I323-V327 VanDerWaalsContact O-CG2 3.28Å; I323-V327 WeakPolarHBondContact O-CG2 3.48Å; I323-V327 PolarHBondContact O-N 2.85Å |
| 324 | M | 47.6 | Very low | 50 | Low | 106 Ų | 106 | 61.6 Ų | 61.6 | 52% | 0.522 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.5 | -42 | 178.6 | -165.6 | 65.9 | 64.1 | 0 | 0 | 111.5 | A320 V327 Q328 | A320-M324 WeakPolarHBondContact O-CB 3.41Å; A320-M324 PolarHBondContact O-N 3.48Å; M324-V327 PolarHBondContact O-N 2.67Å; M324-Q328 WeakPolarHBondContact O-CB 3.5Å; M324-Q328 VanDerWaalsContact O-CG 3.28Å; M324-Q328 WeakPolarHBondContact O-CG 3.22Å; M324-Q328 PolarHBondContact O-N 3.35Å |
| 325 | R | 57.5 | Low | 51.6 | Low | 62 Ų | 62 | 55.3 Ų | 55.3 | 23% | 0.234 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59 | -48.1 | 173.5 | -175.2 | -176.6 | -62.9 | -168.3 | 3.6 | 110.9 | N321 E322 I323 V327 Q328 I329 T406 | N321-R325 WeakPolarHBondContact O-CB 3.14Å; N321-R325 PolarHBondContact O-N 3.29Å; E322-R325 WeakPolarHBondContact O-CB 2.89Å; E322-R325 PolarHBondContact O-N 3.5Å; I323-R325 VanDerWaalsContact C-N 3.32Å; I323-R325 PolarHBondContact O-N 3.1Å; R325-V327 VanDerWaalsContact C-N 3.35Å; R325-V327 PolarHBondContact O-N 3.34Å; R325-Q328 PolarHBondContact O-N 2.93Å; R325-I329 HydrophobicContact CG-CD1 3.63Å; R325-I329 HydrophobicContact CG-CG1 4.27Å; R325-I329 WeakPolarHBondContact O-CB 3.31Å; R325-I329 WeakPolarHBondContact O-CG1 3.28Å; R325-I329 PolarHBondContact O-N 3Å; R325-T406 WeakPolarHBondContact CG-O 3.39Å; R325-T406 WeakPolarHBondContact CG-OG1 3.35Å; R325-T406 PolarHBondContact NE-O 3.49Å |
| 326 | V | 54.9 | Low | 53.6 | Low | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.006 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64 | -39.2 | 178.8 | 174.7 | 0 | 0 | 0 | 0 | 112 | A143 L281 E322 I323 I329 A330 | A143-V326 HydrophobicContact CB-CB 3.99Å; A143-V326 HydrophobicContact CB-CG1 3.57Å; A143-V326 HydrophobicContact CB-CG2 3.84Å; L281-V326 HydrophobicContact CD1-CG1 3.27Å; L281-V326 HydrophobicContact CD2-CG1 3.93Å; L281-V326 HydrophobicContact CG-CG1 4.23Å; E322-V326 VanDerWaalsContact O-CG2 3.23Å; E322-V326 WeakPolarHBondContact O-CG2 3.48Å; E322-V326 PolarHBondContact O-N 2.73Å; I323-V326 PolarHBondContact O-N 2.83Å; V326-I329 PolarHBondContact O-N 3.43Å; V326-A330 VanDerWaalsContact O-CB 3.25Å; V326-A330 WeakPolarHBondContact O-CB 3.34Å; V326-A330 PolarHBondContact O-N 2.92Å |
| 327 | V | 55.8 | Low | 55.2 | Low | 35 Ų | 35 | 47.8 Ų | 47.8 | 21% | 0.212 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.2 | -40 | 175.6 | 171 | 0 | 0 | 0 | 0 | 111.2 | F139 L286 I323 M324 R325 A330 N331 | F139-V327 HydrophobicContact CE1-CG2 4.39Å; F139-V327 HydrophobicContact CZ-CG2 3.72Å; L286-V327 HydrophobicContact CD2-CG1 4.15Å; L286-V327 HydrophobicContact CD2-CG2 3.89Å; I323-V327 HydrophobicContact CG2-CG2 4.36Å; I323-V327 VanDerWaalsContact O-CG2 3.28Å; I323-V327 WeakPolarHBondContact O-CG2 3.48Å; I323-V327 PolarHBondContact O-N 2.85Å; M324-V327 PolarHBondContact O-N 2.67Å; R325-V327 VanDerWaalsContact C-N 3.35Å; R325-V327 PolarHBondContact O-N 3.34Å; V327-A330 PolarHBondContact O-N 3.38Å; V327-N331 PolarHBondContact O-N 3.02Å |
| 328 | Q | 57.3 | Low | 57 | Low | 80 Ų | 80 | 44 Ų | 44 | 37% | 0.374 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.9 | -43 | 174.7 | -73 | 176.5 | -1.6 | 0 | 0 | 111.9 | M324 R325 A330 N331 V332 | M324-Q328 WeakPolarHBondContact O-CB 3.5Å; M324-Q328 VanDerWaalsContact O-CG 3.28Å; M324-Q328 WeakPolarHBondContact O-CG 3.22Å; M324-Q328 PolarHBondContact O-N 3.35Å; R325-Q328 PolarHBondContact O-N 2.93Å; Q328-A330 VanDerWaalsContact C-N 3.31Å; Q328-A330 PolarHBondContact O-N 3.32Å; Q328-N331 PolarHBondContact O-N 3.46Å; Q328-V332 WeakPolarHBondContact O-CB 3.35Å; Q328-V332 WeakPolarHBondContact O-CG2 3.26Å; Q328-V332 PolarHBondContact O-N 3.08Å |
| 329 | I | 57.9 | Low | 58.7 | Low | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.3 | -39.9 | 172.4 | -69.5 | 169.6 | 0 | 0 | 0 | 110.1 | I150 I278 R325 V326 A333 G334 T406 | I150-I329 HydrophobicContact CD1-CD1 3.76Å; I150-I329 HydrophobicContact CD1-CG2 4.04Å; I278-I329 HydrophobicContact CD1-CG2 3.84Å; I278-I329 HydrophobicContact CG1-CG2 4.11Å; R325-I329 HydrophobicContact CG-CD1 3.63Å; R325-I329 HydrophobicContact CG-CG1 4.27Å; R325-I329 WeakPolarHBondContact O-CB 3.31Å; R325-I329 WeakPolarHBondContact O-CG1 3.28Å; R325-I329 PolarHBondContact O-N 3Å; V326-I329 PolarHBondContact O-N 3.43Å; I329-A333 HydrophobicContact CB-CB 4.14Å; I329-A333 HydrophobicContact CG2-CB 3.7Å; I329-A333 CarbonylContact O-C 2.97Å; I329-A333 WeakPolarHBondContact O-CA 3.42Å; I329-A333 WeakPolarHBondContact O-CB 3.38Å; I329-A333 PolarHBondContact O-N 3.05Å; I329-G334 PolarHBondContact O-N 3.37Å; I329-T406 HydrophobicContact CG1-CG2 4.12Å |
| 330 | A | 57.4 | Low | 60.1 | Low | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.6 | -41.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L281 R282 V326 V327 Q328 | L281-A330 HydrophobicContact CB-CB 3.96Å; L281-A330 HydrophobicContact CD1-CB 4.4Å; R282-A330 PolarHBondContact NE-O 2.88Å; R282-A330 PolarHBondContact NH2-O 3.03Å; V326-A330 VanDerWaalsContact O-CB 3.25Å; V326-A330 WeakPolarHBondContact O-CB 3.34Å; V326-A330 PolarHBondContact O-N 2.92Å; V327-A330 PolarHBondContact O-N 3.38Å; Q328-A330 VanDerWaalsContact C-N 3.31Å; Q328-A330 PolarHBondContact O-N 3.32Å |
| 331 | N | 59.4 | Low | 61.9 | Low | 107 Ų | 107 | 41.9 Ų | 41.9 | 57% | 0.572 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -74.2 | -46.6 | 178.7 | -92.2 | -9.2 | 0 | 0 | 0 | 112.9 | V327 Q328 | V327-N331 PolarHBondContact O-N 3.02Å; Q328-N331 PolarHBondContact O-N 3.46Å |
| 332 | V | 57.2 | Low | 63.6 | Low | 100 Ų | 100 | 44.2 Ų | 44.2 | 61% | 0.606 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -96.6 | -40.2 | -171.4 | -175.9 | 0 | 0 | 0 | 0 | 112.2 | Q328 S335 | Q328-V332 WeakPolarHBondContact O-CB 3.35Å; Q328-V332 WeakPolarHBondContact O-CG2 3.26Å; Q328-V332 PolarHBondContact O-N 3.08Å; V332-S335 PolarHBondContact O-OG 3.38Å |
| 333 | A | 57.7 | Low | 64.9 | Low | 4 Ų | 4 | 42.4 Ų | 42.4 | 3% | 0.033 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -90.7 | -3.4 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | I278 I329 S335 T336 A337 L403 | I278-A333 HydrophobicContact CD1-CB 4.48Å; I329-A333 HydrophobicContact CB-CB 4.14Å; I329-A333 HydrophobicContact CG2-CB 3.7Å; I329-A333 CarbonylContact O-C 2.97Å; I329-A333 WeakPolarHBondContact O-CA 3.42Å; I329-A333 WeakPolarHBondContact O-CB 3.38Å; I329-A333 PolarHBondContact O-N 3.05Å; A333-S335 VanDerWaalsContact C-N 3.27Å; A333-S335 PolarHBondContact O-N 3.12Å; A333-T336 CarbonylContact O-C 3.38Å; A333-T336 WeakPolarHBondContact O-CA 3.38Å; A333-T336 WeakPolarHBondContact O-CB 3.03Å; A333-T336 PolarHBondContact O-N 2.93Å; A333-A337 PolarHBondContact O-N 2.95Å; A333-L403 HydrophobicContact CB-CD2 3.86Å |
| 334 | G | 63.2 | Low | 66 | Low | 6 Ų | 6 | 41.1 Ų | 41.1 | 6% | 0.062 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69.9 | -25.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | I278 I329 A338 | I278-G334 VanDerWaalsContact CG2-CA 3.46Å; I329-G334 PolarHBondContact O-N 3.37Å; G334-A338 WeakPolarHBondContact O-CB 3.47Å; G334-A338 PolarHBondContact O-N 3.25Å |
| 335 | S | 69.4 | Low | 67.4 | Low | 59 Ų | 59 | 38.8 Ų | 38.8 | 41% | 0.413 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -70.6 | -38.2 | 164.8 | 39.2 | 0 | 0 | 0 | 0 | 111.7 | V332 A333 A338 R339 | V332-S335 PolarHBondContact O-OG 3.38Å; A333-S335 VanDerWaalsContact C-N 3.27Å; A333-S335 PolarHBondContact O-N 3.12Å; S335-A338 PolarHBondContact O-N 2.99Å; S335-R339 VanDerWaalsContact O-CG 3.26Å; S335-R339 WeakPolarHBondContact O-CG 3.35Å; S335-R339 PolarHBondContact O-N 3.12Å |
| 336 | T | 75 | Confident | 68.4 | Low | 5 Ų | 5 | 41.4 Ų | 41.4 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.6 | -48.7 | 178.4 | -59.1 | 0 | 0 | 0 | 0 | 111.8 | A333 A338 R339 A340 I399 E402 L403 | A333-T336 CarbonylContact O-C 3.38Å; A333-T336 WeakPolarHBondContact O-CA 3.38Å; A333-T336 WeakPolarHBondContact O-CB 3.03Å; A333-T336 PolarHBondContact O-N 2.93Å; T336-A338 PolarHBondContact O-N 3.39Å; T336-R339 WeakPolarHBondContact O-CB 3.46Å; T336-R339 PolarHBondContact O-N 3.39Å; T336-A340 PolarHBondContact O-N 2.84Å; T336-I399 HydrophobicContact CG2-CB 3.99Å; T336-I399 HydrophobicContact CG2-CG1 4.02Å; T336-I399 HydrophobicContact CG2-CG2 3.37Å; T336-E402 WeakPolarHBondContact CB-OE2 3.37Å; T336-E402 HydrophobicContact CG2-CB 4Å; T336-E402 WeakPolarHBondContact CG2-OE2 3.48Å; T336-E402 PolarHBondContact OG1-OE2 3.23Å; T336-L403 HydrophobicContact CG2-CD2 4.44Å; T336-L403 HydrophobicContact CG2-CG 4.24Å |
| 337 | A | 73.9 | Confident | 69.2 | Low | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.2 | -37.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I274 K275 I278 A333 A340 V341 | I274-A337 HydrophobicContact CG2-CB 4.26Å; K275-A337 HydrophobicContact CB-CB 4.03Å; K275-A337 HydrophobicContact CG-CB 4.47Å; I278-A337 HydrophobicContact CD1-CB 3.77Å; A333-A337 PolarHBondContact O-N 2.95Å; A337-A340 PolarHBondContact O-N 3.37Å; A337-V341 WeakPolarHBondContact O-CG2 3.3Å; A337-V341 PolarHBondContact O-N 2.91Å; A337-V341 VanDerWaalsContact O-N 3.08Å |
| 338 | A | 76.6 | Confident | 70.1 | Confident | 25 Ų | 25 | 42.3 Ų | 42.3 | 21% | 0.207 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64 | -42.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | K275 G334 S335 T336 V341 Q342 | K275-A338 HydrophobicContact CD-CB 4.45Å; G334-A338 WeakPolarHBondContact O-CB 3.47Å; G334-A338 PolarHBondContact O-N 3.25Å; S335-A338 PolarHBondContact O-N 2.99Å; T336-A338 PolarHBondContact O-N 3.39Å; A338-V341 PolarHBondContact O-N 2.86Å; A338-Q342 WeakPolarHBondContact O-CG 3.45Å; A338-Q342 PolarHBondContact O-N 2.68Å |
| 339 | R | 79.8 | Confident | 71 | Confident | 124 Ų | 124 | 40.6 Ų | 40.6 | 47% | 0.468 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60 | -46.7 | 172.9 | -72.5 | 173 | -171.9 | 176.3 | 2.2 | 111.2 | S335 T336 V341 Q342 I343 I399 | S335-R339 VanDerWaalsContact O-CG 3.26Å; S335-R339 WeakPolarHBondContact O-CG 3.35Å; S335-R339 PolarHBondContact O-N 3.12Å; T336-R339 WeakPolarHBondContact O-CB 3.46Å; T336-R339 PolarHBondContact O-N 3.39Å; R339-V341 VanDerWaalsContact C-N 3.33Å; R339-V341 PolarHBondContact O-N 3.47Å; R339-Q342 WeakPolarHBondContact O-CA 3.44Å; R339-Q342 WeakPolarHBondContact O-CB 3.39Å; R339-Q342 PolarHBondContact O-N 3.06Å; R339-I343 HydrophobicContact CB-CD1 4.48Å; R339-I343 VanDerWaalsContact O-CD1 3.28Å; R339-I343 WeakPolarHBondContact O-CD1 3.39Å; R339-I343 VanDerWaalsContact O-CG1 3.26Å; R339-I343 WeakPolarHBondContact O-CG1 3.44Å; R339-I343 PolarHBondContact O-N 3.08Å; R339-I399 HydrophobicContact CB-CD1 4.06Å |
| 340 | A | 73.7 | Confident | 72 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56 | -46.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L271 T336 A337 Q342 I343 A344 L396 I399 | L271-A340 HydrophobicContact CB-CB 4.46Å; L271-A340 HydrophobicContact CD1-CB 3.76Å; L271-A340 HydrophobicContact CD2-CB 3.5Å; L271-A340 VanDerWaalsContact CD2-CB 3.5Å; L271-A340 HydrophobicContact CG-CB 4.09Å; T336-A340 PolarHBondContact O-N 2.84Å; A337-A340 PolarHBondContact O-N 3.37Å; A340-Q342 VanDerWaalsContact C-N 3.35Å; A340-I343 PolarHBondContact O-N 3.37Å; A340-A344 WeakPolarHBondContact O-CB 3.29Å; A340-A344 PolarHBondContact O-N 3.45Å; A340-L396 HydrophobicContact CB-CD2 4.16Å; A340-I399 HydrophobicContact CB-CD1 3.78Å; A340-I399 HydrophobicContact CB-CG2 3.74Å |
| 341 | V | 81.3 | Confident | 72.8 | Confident | 17 Ų | 17 | 41.7 Ų | 41.7 | 10% | 0.103 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.4 | -41.3 | 176.2 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | L271 K272 K275 A337 A338 R339 S345 | L271-V341 VanDerWaalsContact C-CG2 3.48Å; L271-V341 HydrophobicContact CB-CG2 3.81Å; L271-V341 WeakPolarHBondContact O-CG2 3.35Å; K272-V341 HydrophobicContact CB-CG2 4.49Å; K272-V341 HydrophobicContact CG-CG1 3.8Å; K272-V341 HydrophobicContact CG-CG2 3.93Å; K275-V341 HydrophobicContact CB-CG2 4.14Å; K275-V341 HydrophobicContact CD-CB 4.44Å; K275-V341 HydrophobicContact CD-CG2 4.09Å; A337-V341 WeakPolarHBondContact O-CG2 3.3Å; A337-V341 PolarHBondContact O-N 2.91Å; A337-V341 VanDerWaalsContact O-N 3.08Å; A338-V341 PolarHBondContact O-N 2.86Å; R339-V341 VanDerWaalsContact C-N 3.33Å; R339-V341 PolarHBondContact O-N 3.47Å; V341-S345 VanDerWaalsContact O-CB 3.28Å; V341-S345 WeakPolarHBondContact O-CB 3.42Å; V341-S345 PolarHBondContact O-N 3.23Å; V341-S345 PolarHBondContact O-OG 3.32Å |
| 342 | Q | 81.9 | Confident | 73.7 | Confident | 117 Ų | 117 | 40.1 Ų | 40.1 | 55% | 0.547 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61 | -50.3 | 176.9 | -75.3 | 176.2 | -8 | 0 | 0 | 111 | A338 R339 A340 A344 S345 M346 | A338-Q342 WeakPolarHBondContact O-CG 3.45Å; A338-Q342 PolarHBondContact O-N 2.68Å; R339-Q342 WeakPolarHBondContact O-CA 3.44Å; R339-Q342 WeakPolarHBondContact O-CB 3.39Å; R339-Q342 PolarHBondContact O-N 3.06Å; A340-Q342 VanDerWaalsContact C-N 3.35Å; Q342-A344 PolarHBondContact O-N 3.41Å; Q342-S345 PolarHBondContact O-N 2.88Å; Q342-S345 VanDerWaalsContact O-N 3.14Å; Q342-S345 PolarHBondContact O-OG 2.92Å; Q342-M346 WeakPolarHBondContact O-CB 3.48Å; Q342-M346 VanDerWaalsContact O-CG 3.3Å; Q342-M346 WeakPolarHBondContact O-CG 3.34Å; Q342-M346 PolarHBondContact O-N 3.23Å |
| 343 | I | 75.6 | Confident | 74.5 | Confident | 12 Ų | 12 | 36.9 Ų | 36.9 | 6% | 0.062 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.4 | -49.7 | 179.5 | -63.4 | 151.6 | 0 | 0 | 0 | 111 | R339 A340 S345 M346 A347 G392 E395 L396 I399 | R339-I343 HydrophobicContact CB-CD1 4.48Å; R339-I343 VanDerWaalsContact O-CD1 3.28Å; R339-I343 WeakPolarHBondContact O-CD1 3.39Å; R339-I343 VanDerWaalsContact O-CG1 3.26Å; R339-I343 WeakPolarHBondContact O-CG1 3.44Å; R339-I343 PolarHBondContact O-N 3.08Å; A340-I343 PolarHBondContact O-N 3.37Å; I343-S345 VanDerWaalsContact C-N 3.28Å; I343-S345 PolarHBondContact O-N 3.27Å; I343-M346 PolarHBondContact O-N 3.5Å; I343-A347 PolarHBondContact O-N 2.82Å; I343-G392 VanDerWaalsContact CG2-O 3.31Å; I343-G392 WeakPolarHBondContact CG2-O 3.33Å; I343-E395 HydrophobicContact CD1-CB 3.77Å; I343-E395 HydrophobicContact CD1-CG 3.36Å; I343-E395 WeakPolarHBondContact CD1-OE1 3.31Å; I343-E395 WeakPolarHBondContact CD1-OE2 3.27Å; I343-E395 HydrophobicContact CG1-CB 4.49Å; I343-E395 HydrophobicContact CG1-CG 4.29Å; I343-E395 WeakPolarHBondContact CG1-OE2 3.14Å; I343-L396 HydrophobicContact CG2-CD1 4.32Å; I343-L396 HydrophobicContact CG2-CD2 4.5Å; I343-L396 HydrophobicContact CG2-CG 3.96Å; I343-I399 HydrophobicContact CD1-CD1 3.44Å; I343-I399 VanDerWaalsContact CD1-CD1 3.44Å |
| 344 | A | 73.1 | Confident | 75.4 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.3 | -38.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I264 N268 L271 A340 Q342 T348 | I264-A344 HydrophobicContact CG1-CB 4.42Å; N268-A344 HydrophobicContact CB-CB 3.89Å; L271-A344 HydrophobicContact CD1-CB 4.29Å; A340-A344 WeakPolarHBondContact O-CB 3.29Å; A340-A344 PolarHBondContact O-N 3.45Å; Q342-A344 PolarHBondContact O-N 3.41Å; A344-T348 PolarHBondContact O-N 2.93Å; A344-T348 PolarHBondContact O-OG1 3.07Å |
| 345 | S | 77.2 | Confident | 75.8 | Confident | 56 Ų | 56 | 38.7 Ų | 38.7 | 39% | 0.392 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -70.2 | -37.4 | 176 | 75.4 | 0 | 0 | 0 | 0 | 113.3 | V341 Q342 I343 T348 G349 | V341-S345 VanDerWaalsContact O-CB 3.28Å; V341-S345 WeakPolarHBondContact O-CB 3.42Å; V341-S345 PolarHBondContact O-N 3.23Å; V341-S345 PolarHBondContact O-OG 3.32Å; Q342-S345 PolarHBondContact O-N 2.88Å; Q342-S345 VanDerWaalsContact O-N 3.14Å; Q342-S345 PolarHBondContact O-OG 2.92Å; I343-S345 VanDerWaalsContact C-N 3.28Å; I343-S345 PolarHBondContact O-N 3.27Å; S345-T348 PolarHBondContact O-N 2.83Å; S345-G349 PolarHBondContact O-N 3.26Å |
| 346 | M | 77.3 | Confident | 76 | Confident | 118 Ų | 118 | 40 Ų | 40 | 58% | 0.581 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -63.7 | -45.9 | 175.5 | -74.8 | 175.9 | 64.3 | 0 | 0 | 110 | Q342 I343 T348 G349 V350 | Q342-M346 WeakPolarHBondContact O-CB 3.48Å; Q342-M346 VanDerWaalsContact O-CG 3.3Å; Q342-M346 WeakPolarHBondContact O-CG 3.34Å; Q342-M346 PolarHBondContact O-N 3.23Å; I343-M346 PolarHBondContact O-N 3.5Å; M346-T348 VanDerWaalsContact C-N 3.28Å; M346-T348 PolarHBondContact O-N 3.23Å; M346-G349 PolarHBondContact O-N 3.37Å; M346-V350 WeakPolarHBondContact O-CB 3.4Å; M346-V350 WeakPolarHBondContact O-CG2 3.13Å; M346-V350 PolarHBondContact O-N 2.98Å |
| 347 | A | 72.5 | Confident | 75.7 | Confident | 7 Ų | 7 | 40.7 Ų | 40.7 | 6% | 0.058 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -53.5 | -45.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y260 I343 L351 L389 | Y260-A347 HydrophobicContact CE1-CB 4.2Å; I343-A347 PolarHBondContact O-N 2.82Å; A347-L351 WeakPolarHBondContact O-CB 3.49Å; A347-L351 WeakPolarHBondContact O-CD1 3.46Å; A347-L351 WeakPolarHBondContact O-CG 3.49Å; A347-L351 PolarHBondContact O-N 2.78Å; A347-L351 VanDerWaalsContact O-N 3.15Å; A347-L389 HydrophobicContact CB-CD2 3.61Å |
| 348 | T | 74.8 | Confident | 75.6 | Confident | 47 Ų | 47 | 40.8 Ų | 40.8 | 29% | 0.288 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.5 | -45.3 | 174.6 | -50.3 | 0 | 0 | 0 | 0 | 112.3 | A344 S345 M346 L351 T352 | A344-T348 PolarHBondContact O-N 2.93Å; A344-T348 PolarHBondContact O-OG1 3.07Å; S345-T348 PolarHBondContact O-N 2.83Å; M346-T348 VanDerWaalsContact C-N 3.28Å; M346-T348 PolarHBondContact O-N 3.23Å; T348-L351 PolarHBondContact O-N 2.97Å; T348-T352 PolarHBondContact O-N 2.81Å; T348-T352 VanDerWaalsContact O-N 3.09Å; T348-T352 PolarHBondContact O-OG1 2.9Å; T348-T352 VanDerWaalsContact O-OG1 3.08Å |
| 349 | G | 76 | Confident | 75.3 | Confident | 44 Ų | 44 | 43 Ų | 43 | 45% | 0.454 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.9 | -39.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S345 M346 T352 G353 | S345-G349 PolarHBondContact O-N 3.26Å; M346-G349 PolarHBondContact O-N 3.37Å; G349-T352 WeakPolarHBondContact O-CB 3.41Å; G349-T352 PolarHBondContact O-N 2.97Å; G349-G353 PolarHBondContact O-N 3.4Å |
| 350 | V | 78.8 | Confident | 74.8 | Confident | 27 Ų | 27 | 42.6 Ų | 42.6 | 16% | 0.164 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.8 | -41.3 | 179.5 | 172.8 | 0 | 0 | 0 | 0 | 111 | M346 G353 L354 V385 Q388 | M346-V350 WeakPolarHBondContact O-CB 3.4Å; M346-V350 WeakPolarHBondContact O-CG2 3.13Å; M346-V350 PolarHBondContact O-N 2.98Å; V350-G353 PolarHBondContact O-N 3.01Å; V350-L354 PolarHBondContact O-N 3.26Å; V350-V385 HydrophobicContact CG1-CB 3.99Å; V350-V385 HydrophobicContact CG1-CG1 3.91Å; V350-V385 HydrophobicContact CG1-CG2 3.67Å; V350-Q388 HydrophobicContact CG1-CB 4.2Å |
| 351 | L | 75 | Confident | 74.6 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63 | -41.2 | 173.2 | -71.7 | 167.9 | 0 | 0 | 0 | 112.1 | V257 Y260 Q261 A347 T348 G353 L354 F355 V385 L389 | V257-L351 HydrophobicContact CB-CD2 4.19Å; V257-L351 HydrophobicContact CG1-CB 3.86Å; V257-L351 HydrophobicContact CG1-CD2 3.82Å; V257-L351 HydrophobicContact CG1-CG 4.29Å; V257-L351 HydrophobicContact CG2-CD2 3.82Å; Y260-L351 HydrophobicContact CD1-CD1 3.33Å; Y260-L351 HydrophobicContact CE1-CD1 3.91Å; Y260-L351 HydrophobicContact CG-CD1 4.05Å; Q261-L351 HydrophobicContact CG-CB 4.16Å; Q261-L351 HydrophobicContact CG-CD1 3.61Å; Q261-L351 HydrophobicContact CG-CG 4.49Å; A347-L351 WeakPolarHBondContact O-CB 3.49Å; A347-L351 WeakPolarHBondContact O-CD1 3.46Å; A347-L351 WeakPolarHBondContact O-CG 3.49Å; A347-L351 PolarHBondContact O-N 2.78Å; A347-L351 VanDerWaalsContact O-N 3.15Å; T348-L351 PolarHBondContact O-N 2.97Å; L351-G353 VanDerWaalsContact C-N 3.3Å; L351-G353 PolarHBondContact O-N 3.24Å; L351-L354 VanDerWaalsContact O-CB 3.32Å; L351-L354 WeakPolarHBondContact O-CB 3.42Å; L351-L354 PolarHBondContact O-N 3.3Å; L351-L354 VanDerWaalsContact O-N 3.12Å; L351-F355 WeakPolarHBondContact O-CD2 3.23Å; L351-F355 PolarHBondContact O-N 2.95Å; L351-V385 HydrophobicContact CD2-CG1 3.97Å; L351-L389 HydrophobicContact CD1-CD1 4.43Å; L351-L389 HydrophobicContact CD1-CD2 4.06Å; L351-L389 HydrophobicContact CD2-CD1 3.59Å; L351-L389 HydrophobicContact CD2-CD2 4.4Å; L351-L389 HydrophobicContact CG-CD1 4.16Å; L351-L389 HydrophobicContact CG-CD2 4.04Å |
| 352 | T | 77.1 | Confident | 74 | Confident | 75 Ų | 75 | 42.8 Ų | 42.8 | 46% | 0.46 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.3 | -39.5 | 172.1 | -57.3 | 0 | 0 | 0 | 0 | 111.8 | T348 G349 L354 F355 | T348-T352 PolarHBondContact O-N 2.81Å; T348-T352 VanDerWaalsContact O-N 3.09Å; T348-T352 PolarHBondContact O-OG1 2.9Å; T348-T352 VanDerWaalsContact O-OG1 3.08Å; G349-T352 WeakPolarHBondContact O-CB 3.41Å; G349-T352 PolarHBondContact O-N 2.97Å; T352-L354 VanDerWaalsContact C-N 3.27Å; T352-L354 PolarHBondContact O-N 2.99Å; T352-F355 PolarHBondContact O-N 3.13Å |
| 353 | G | 74.4 | Confident | 73.5 | Confident | 31 Ų | 31 | 42.1 Ų | 42.1 | 32% | 0.32 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.7 | -31.7 | 174 | 0 | 0 | 0 | 0 | 0 | 113.6 | G349 V350 L351 V356 G357 | G349-G353 PolarHBondContact O-N 3.4Å; V350-G353 PolarHBondContact O-N 3.01Å; L351-G353 VanDerWaalsContact C-N 3.3Å; L351-G353 PolarHBondContact O-N 3.24Å; G353-V356 PolarHBondContact O-N 3.05Å; G353-G357 PolarHBondContact O-N 2.8Å |
| 354 | L | 77.6 | Confident | 73.1 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.5 | -39.4 | 175.5 | -176.8 | 56.4 | 0 | 0 | 0 | 112.1 | L171 V253 V257 V350 L351 T352 V356 G357 M358 F378 K381 I382 V385 | L171-L354 HydrophobicContact CD2-CD2 4.34Å; V253-L354 HydrophobicContact CG1-CD2 3.94Å; V253-L354 HydrophobicContact CG1-CG 4.5Å; V257-L354 HydrophobicContact CG2-CD2 3.83Å; V350-L354 PolarHBondContact O-N 3.26Å; L351-L354 VanDerWaalsContact O-CB 3.32Å; L351-L354 WeakPolarHBondContact O-CB 3.42Å; L351-L354 PolarHBondContact O-N 3.3Å; L351-L354 VanDerWaalsContact O-N 3.12Å; T352-L354 VanDerWaalsContact C-N 3.27Å; T352-L354 PolarHBondContact O-N 2.99Å; L354-V356 VanDerWaalsContact C-N 3.31Å; L354-V356 PolarHBondContact O-N 2.93Å; L354-G357 PolarHBondContact O-N 2.7Å; L354-M358 WeakPolarHBondContact O-CB 3.41Å; L354-M358 PolarHBondContact O-N 3.14Å; L354-F378 HydrophobicContact CD1-CE2 4.16Å; L354-K381 HydrophobicContact CD1-CG 4.09Å; L354-I382 HydrophobicContact CD1-CG1 3.71Å; L354-V385 HydrophobicContact CB-CG2 3.94Å; L354-V385 HydrophobicContact CD1-CG2 4.25Å; L354-V385 HydrophobicContact CD2-CB 4.39Å; L354-V385 HydrophobicContact CD2-CG1 4.03Å; L354-V385 HydrophobicContact CD2-CG2 4.39Å; L354-V385 HydrophobicContact CG-CG2 4.41Å |
| 355 | F | 71.6 | Confident | 72.6 | Confident | 46 Ų | 46 | 44.2 Ų | 44.2 | 20% | 0.202 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.4 | -41.7 | 176.8 | -80.6 | -74.9 | 0 | 0 | 0 | 112.4 | E254 V257 E258 L351 T352 G357 M358 D359 | E254-F355 HydrophobicContact CB-CE1 4.25Å; E254-F355 HydrophobicContact CG-CE1 3.96Å; E254-F355 HydrophobicContact CG-CZ 4.43Å; V257-F355 HydrophobicContact CB-CE2 4.17Å; V257-F355 HydrophobicContact CB-CZ 4.1Å; V257-F355 HydrophobicContact CG1-CD2 4.09Å; V257-F355 HydrophobicContact CG1-CE2 3.21Å; V257-F355 HydrophobicContact CG1-CZ 3.61Å; E258-F355 HydrophobicContact CG-CZ 4.49Å; L351-F355 WeakPolarHBondContact O-CD2 3.23Å; L351-F355 PolarHBondContact O-N 2.95Å; T352-F355 PolarHBondContact O-N 3.13Å; F355-G357 PolarHBondContact O-N 3.25Å; F355-M358 HydrophobicContact CD1-CE 3.47Å; F355-M358 VanDerWaalsContact CD1-CE 3.47Å; F355-M358 HydrophobicContact CE1-CE 3.8Å; F355-M358 WeakPolarHBondContact O-CB 3.3Å; F355-M358 PolarHBondContact O-N 2.93Å; F355-D359 PolarHBondContact O-N 3.22Å |
| 356 | V | 73.8 | Confident | 72.1 | Confident | 87 Ų | 87 | 47.7 Ų | 47.7 | 53% | 0.527 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.9 | -46.2 | 176.3 | -179.7 | 0 | 0 | 0 | 0 | 110.8 | G353 L354 M358 D359 I360 | G353-V356 PolarHBondContact O-N 3.05Å; L354-V356 VanDerWaalsContact C-N 3.31Å; L354-V356 PolarHBondContact O-N 2.93Å; V356-M358 VanDerWaalsContact C-N 3.28Å; V356-M358 PolarHBondContact O-N 3.24Å; V356-D359 PolarHBondContact O-N 3.35Å; V356-I360 HydrophobicContact CG1-CD1 4.22Å; V356-I360 WeakPolarHBondContact O-CG1 3.48Å; V356-I360 PolarHBondContact O-N 3.21Å; V356-I360 VanDerWaalsContact O-N 3.15Å |
| 357 | G | 68.4 | Low | 71.2 | Confident | 20 Ų | 20 | 45.3 Ų | 45.3 | 21% | 0.206 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.8 | -35.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | G353 L354 F355 Y361 | G353-G357 PolarHBondContact O-N 2.8Å; L354-G357 PolarHBondContact O-N 2.7Å; F355-G357 PolarHBondContact O-N 3.25Å; G357-Y361 WeakPolarHBondContact O-CB 3.48Å; G357-Y361 PolarHBondContact O-N 3.44Å |
| 358 | M | 71.7 | Confident | 70.3 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.3 | -48.3 | 175.4 | -172.6 | 171.6 | 70.3 | 0 | 0 | 111.2 | R250 V253 E254 L354 F355 V356 I360 Y361 F362 F378 | R250-M358 HydrophobicContact CG-CE 4Å; R250-M358 HydrophobicContact CG-CG 4.23Å; R250-M358 HydrophobicContact CG-SD 3.65Å; V253-M358 HydrophobicContact CB-SD 4.34Å; V253-M358 HydrophobicContact CG1-SD 4.2Å; E254-M358 HydrophobicContact CB-CE 4.37Å; L354-M358 WeakPolarHBondContact O-CB 3.41Å; L354-M358 PolarHBondContact O-N 3.14Å; F355-M358 HydrophobicContact CD1-CE 3.47Å; F355-M358 VanDerWaalsContact CD1-CE 3.47Å; F355-M358 HydrophobicContact CE1-CE 3.8Å; F355-M358 WeakPolarHBondContact O-CB 3.3Å; F355-M358 PolarHBondContact O-N 2.93Å; V356-M358 VanDerWaalsContact C-N 3.28Å; V356-M358 PolarHBondContact O-N 3.24Å; M358-I360 VanDerWaalsContact C-N 3.34Å; M358-I360 PolarHBondContact O-N 3.45Å; M358-Y361 PolarHBondContact O-N 3.03Å; M358-F362 HydrophobicContact CG-CD2 3.53Å; M358-F362 HydrophobicContact CG-CE2 3.6Å; M358-F362 VanDerWaalsContact O-CD2 3.25Å; M358-F362 WeakPolarHBondContact O-CD2 3.25Å; M358-F362 PolarHBondContact O-N 2.88Å; M358-F362 HydrophobicContact SD-CE2 4.3Å; M358-F378 HydrophobicContact CB-CE2 3.73Å; M358-F378 HydrophobicContact CB-CZ 3.9Å; M358-F378 HydrophobicContact CG-CE2 4.18Å; M358-F378 HydrophobicContact CG-CZ 3.83Å |
| 359 | D | 69.3 | Low | 69.4 | Low | 71 Ų | 71 | 59.8 Ų | 59.8 | 38% | 0.38 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.4 | -43.3 | 178.3 | -77.3 | -30.2 | 0 | 0 | 0 | 112 | R250 F355 V356 Y361 F362 V363 | R250-D359 IonicContact CZ-OD1 3.56Å; R250-D359 IonicContact NH1-OD1 3.78Å; R250-D359 IonicContact NH2-OD1 2.74Å; R250-D359 PolarHBondContact NH2-OD1 3.14Å; F355-D359 PolarHBondContact O-N 3.22Å; V356-D359 PolarHBondContact O-N 3.35Å; D359-Y361 PolarHBondContact O-N 3.31Å; D359-F362 PolarHBondContact O-N 3.3Å; D359-V363 VanDerWaalsContact O-CB 3.31Å; D359-V363 WeakPolarHBondContact O-CB 3.28Å; D359-V363 WeakPolarHBondContact O-CG2 3.32Å; D359-V363 PolarHBondContact O-N 2.97Å |
| 360 | I | 70.5 | Confident | 68.6 | Low | 116 Ų | 116 | 59.8 Ų | 59.8 | 60% | 0.595 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -59.5 | -46.8 | 175.8 | -65.3 | 166.1 | 0 | 0 | 0 | 110.8 | V356 M358 A364 | V356-I360 HydrophobicContact CG1-CD1 4.22Å; V356-I360 WeakPolarHBondContact O-CG1 3.48Å; V356-I360 PolarHBondContact O-N 3.21Å; V356-I360 VanDerWaalsContact O-N 3.15Å; M358-I360 VanDerWaalsContact C-N 3.34Å; M358-I360 PolarHBondContact O-N 3.45Å; I360-A364 WeakPolarHBondContact O-CB 3.28Å; I360-A364 PolarHBondContact O-N 2.95Å |
| 361 | Y | 69.9 | Low | 67.6 | Low | 9 Ų | 9 | 66.8 Ų | 66.8 | 4% | 0.035 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.8 | -47.2 | 178.7 | 170.8 | -109.6 | 0 | 0 | 0 | 112.2 | G357 M358 D359 A364 K365 L370 K375 F378 | G357-Y361 WeakPolarHBondContact O-CB 3.48Å; G357-Y361 PolarHBondContact O-N 3.44Å; M358-Y361 PolarHBondContact O-N 3.03Å; D359-Y361 PolarHBondContact O-N 3.31Å; Y361-A364 PolarHBondContact O-N 3.24Å; Y361-K365 HydrophobicContact CE1-CD 4.04Å; Y361-K365 VanDerWaalsContact O-CB 3.29Å; Y361-K365 WeakPolarHBondContact O-CB 3.45Å; Y361-K365 PolarHBondContact O-N 3.19Å; Y361-L370 HydrophobicContact CD2-CD1 4.49Å; Y361-L370 HydrophobicContact CD2-CD2 4.01Å; Y361-L370 HydrophobicContact CE2-CD1 3.82Å; Y361-L370 HydrophobicContact CE2-CD2 3.98Å; Y361-K375 HydrophobicContact CE2-CB 4.4Å; Y361-K375 HydrophobicContact CE2-CG 3.76Å; Y361-F378 HydrophobicContact CD1-CB 4.42Å; Y361-F378 AromaticContact CD1-CD1 3.42Å; Y361-F378 HydrophobicContact CD1-CD1 3.42Å; Y361-F378 VanDerWaalsContact CD1-CD1 3.42Å; Y361-F378 AromaticContact CD1-CE1 3.72Å; Y361-F378 HydrophobicContact CD1-CE1 3.72Å; Y361-F378 AromaticContact CD1-CG 3.88Å; Y361-F378 HydrophobicContact CD1-CG 3.88Å; Y361-F378 HydrophobicContact CD1-CZ 4.42Å; Y361-F378 HydrophobicContact CD2-CB 3.83Å; Y361-F378 HydrophobicContact CD2-CD1 4.27Å; Y361-F378 HydrophobicContact CD2-CG 4.19Å; Y361-F378 AromaticContact CE1-CD1 3.72Å; Y361-F378 HydrophobicContact CE1-CD1 3.72Å; Y361-F378 HydrophobicContact CE1-CE1 4.06Å; Y361-F378 HydrophobicContact CE2-CB 4.45Å; Y361-F378 HydrophobicContact CG-CB 3.82Å; Y361-F378 AromaticContact CG-CD1 3.71Å; Y361-F378 HydrophobicContact CG-CD1 3.71Å; Y361-F378 HydrophobicContact CG-CD2 4.31Å; Y361-F378 HydrophobicContact CG-CE1 4.37Å; Y361-F378 AromaticContact CG-CG 3.68Å; Y361-F378 HydrophobicContact CG-CG 3.68Å |
| 362 | F | 68.2 | Low | 67 | Low | 12 Ų | 12 | 74 Ų | 74 | 5% | 0.053 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -71.2 | -35.4 | -178.7 | -81.3 | -81.7 | 0 | 0 | 0 | 112.6 | R250 M358 D359 K365 D366 F378 | R250-F362 HydrophobicContact CB-CD1 4.46Å; R250-F362 HydrophobicContact CB-CD2 4.3Å; R250-F362 HydrophobicContact CB-CE1 3.76Å; R250-F362 HydrophobicContact CB-CE2 3.6Å; R250-F362 HydrophobicContact CB-CZ 3.32Å; R250-F362 HydrophobicContact CG-CD2 3.93Å; R250-F362 HydrophobicContact CG-CE1 4.34Å; R250-F362 HydrophobicContact CG-CE2 3.63Å; R250-F362 HydrophobicContact CG-CG 4.47Å; R250-F362 HydrophobicContact CG-CZ 3.89Å; M358-F362 HydrophobicContact CG-CD2 3.53Å; M358-F362 HydrophobicContact CG-CE2 3.6Å; M358-F362 VanDerWaalsContact O-CD2 3.25Å; M358-F362 WeakPolarHBondContact O-CD2 3.25Å; M358-F362 PolarHBondContact O-N 2.88Å; M358-F362 HydrophobicContact SD-CE2 4.3Å; D359-F362 PolarHBondContact O-N 3.3Å; F362-K365 HydrophobicContact CD1-CD 3.99Å; F362-K365 HydrophobicContact CE1-CD 4.12Å; F362-K365 VanDerWaalsContact O-CB 3.29Å; F362-K365 WeakPolarHBondContact O-CB 3.29Å; F362-K365 PolarHBondContact O-N 3.45Å; F362-D366 PolarHBondContact O-N 3.42Å; F362-F378 HydrophobicContact CE2-CE1 4.46Å |
| 363 | V | 71.8 | Confident | 66.4 | Low | 103 Ų | 103 | 72.7 Ų | 72.7 | 62% | 0.624 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -62.9 | -45.5 | 172 | 169.8 | 0 | 0 | 0 | 0 | 111 | D359 K365 D366 S367 | D359-V363 VanDerWaalsContact O-CB 3.31Å; D359-V363 WeakPolarHBondContact O-CB 3.28Å; D359-V363 WeakPolarHBondContact O-CG2 3.32Å; D359-V363 PolarHBondContact O-N 2.97Å; V363-K365 PolarHBondContact O-N 2.84Å; V363-D366 PolarHBondContact O-N 2.99Å; V363-S367 PolarHBondContact O-N 3.24Å |
| 364 | A | 65.3 | Low | 65.9 | Low | 32 Ų | 32 | 72.5 Ų | 72.5 | 26% | 0.264 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.9 | -25.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | I360 Y361 S367 L370 | I360-A364 WeakPolarHBondContact O-CB 3.28Å; I360-A364 PolarHBondContact O-N 2.95Å; Y361-A364 PolarHBondContact O-N 3.24Å; A364-S367 PolarHBondContact O-OG 3.3Å; A364-L370 HydrophobicContact CB-CD2 3.94Å |
| 365 | K | 64 | Low | 65.4 | Low | 24 Ų | 24 | 75.8 Ų | 75.8 | 10% | 0.104 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -71.2 | -47.7 | 175.1 | -169.7 | 167.9 | -180 | -174.7 | 0 | 112.8 | N246 Y361 F362 V363 S367 K368 L370 | N246-K365 WeakPolarHBondContact ND2-CE 3.16Å; N246-K365 PolarHBondContact O-NZ 3.22Å; N246-K365 WeakPolarHBondContact OD1-CE 2.98Å; N246-K365 PolarHBondContact OD1-NZ 3.42Å; Y361-K365 HydrophobicContact CE1-CD 4.04Å; Y361-K365 VanDerWaalsContact O-CB 3.29Å; Y361-K365 WeakPolarHBondContact O-CB 3.45Å; Y361-K365 PolarHBondContact O-N 3.19Å; F362-K365 HydrophobicContact CD1-CD 3.99Å; F362-K365 HydrophobicContact CE1-CD 4.12Å; F362-K365 VanDerWaalsContact O-CB 3.29Å; F362-K365 WeakPolarHBondContact O-CB 3.29Å; F362-K365 PolarHBondContact O-N 3.45Å; V363-K365 PolarHBondContact O-N 2.84Å; K365-S367 PolarHBondContact O-N 3.14Å; K365-K368 PolarHBondContact O-N 3.32Å; K365-L370 HydrophobicContact CB-CD1 3.4Å; K365-L370 VanDerWaalsContact CB-CD1 3.4Å; K365-L370 HydrophobicContact CB-CG 4.08Å; K365-L370 HydrophobicContact CD-CD1 4.07Å; K365-L370 HydrophobicContact CG-CD1 3.48Å; K365-L370 VanDerWaalsContact CG-CD1 3.48Å |
| 366 | D | 66.1 | Low | 65.3 | Low | 130 Ų | 130 | 76 Ų | 76 | 70% | 0.695 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -70.4 | -22.6 | -176.5 | -67.5 | -21.2 | 0 | 0 | 0 | 111.7 | F362 V363 K368 | F362-D366 PolarHBondContact O-N 3.42Å; V363-D366 PolarHBondContact O-N 2.99Å; D366-K368 VanDerWaalsContact C-N 3.25Å; D366-K368 PolarHBondContact O-N 2.84Å |
| 367 | S | 57.7 | Low | 65.3 | Low | 67 Ų | 67 | 78.8 Ų | 78.8 | 47% | 0.469 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 2.9 | 174.5 | 68.3 | 0 | 0 | 0 | 0 | 115.3 | V363 A364 K365 E369 | V363-S367 PolarHBondContact O-N 3.24Å; A364-S367 PolarHBondContact O-OG 3.3Å; K365-S367 PolarHBondContact O-N 3.14Å; S367-E369 PolarHBondContact O-N 2.87Å |
| 368 | K | 55.5 | Low | 65.7 | Low | 200 Ų | 200 | 78.4 Ų | 78.4 | 87% | 0.87 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | 6.7 | -176.8 | -59.6 | -179.5 | 179.3 | 177.5 | 0 | 115.7 | K365 D366 | K365-K368 PolarHBondContact O-N 3.32Å; D366-K368 VanDerWaalsContact C-N 3.25Å; D366-K368 PolarHBondContact O-N 2.84Å |
| 369 | E | 54.2 | Low | 65.8 | Low | 158 Ų | 158 | 78.3 Ų | 78.3 | 74% | 0.738 | 41% | 0.409 | S | S | * | . | trans | -103.2 | 12.9 | -174.3 | -70.5 | -168.3 | 167.9 | 0 | 0 | 115.2 | S367 K371 | S367-E369 PolarHBondContact O-N 2.87Å; E369-K371 PolarHBondContact O-N 3.07Å | ||
| 370 | L | 59 | Low | 66.3 | Low | 45 Ų | 45 | 77.4 Ų | 77.4 | 24% | 0.236 | 41% | 0.411 | C | S | . | . | trans | -61.3 | 100.6 | 178.4 | -85.2 | 176.5 | 0 | 0 | 0 | 112.6 | Y361 A364 K365 A374 | Y361-L370 HydrophobicContact CD2-CD1 4.49Å; Y361-L370 HydrophobicContact CD2-CD2 4.01Å; Y361-L370 HydrophobicContact CE2-CD1 3.82Å; Y361-L370 HydrophobicContact CE2-CD2 3.98Å; A364-L370 HydrophobicContact CB-CD2 3.94Å; K365-L370 HydrophobicContact CB-CD1 3.4Å; K365-L370 VanDerWaalsContact CB-CD1 3.4Å; K365-L370 HydrophobicContact CB-CG 4.08Å; K365-L370 HydrophobicContact CD-CD1 4.07Å; K365-L370 HydrophobicContact CG-CD1 3.48Å; K365-L370 VanDerWaalsContact CG-CD1 3.48Å; L370-A374 HydrophobicContact CD2-CB 3.33Å | ||
| 371 | K | 58.5 | Low | 66.7 | Low | 174 Ų | 174 | 75.2 Ų | 75.2 | 76% | 0.757 | 40% | 0.397 | S | S | * | . | trans | -67.6 | 148.6 | 161.5 | -63.4 | 178 | -176.2 | 173.6 | 0 | 108.5 | E369 G373 A374 | E369-K371 PolarHBondContact O-N 3.07Å; K371-G373 PolarHBondContact O-N 2.7Å; K371-A374 PolarHBondContact O-N 3.19Å | ||
| 372 | K | 62.3 | Low | 67 | Low | 151 Ų | 151 | 74.8 Ų | 74.8 | 66% | 0.657 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -49.3 | -25.9 | 178.7 | -66.7 | -177.9 | 178.3 | -175.2 | 0 | 114 | S376 | K372-S376 PolarHBondContact O-N 3.47Å |
| 373 | G | 63.8 | Low | 67.6 | Low | 47 Ų | 47 | 77.5 Ų | 77.5 | 49% | 0.485 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | K371 K375 S376 E377 | K371-G373 PolarHBondContact O-N 2.7Å; G373-K375 PolarHBondContact O-N 3.03Å; G373-S376 PolarHBondContact O-N 3.31Å; G373-E377 WeakPolarHBondContact O-CB 3.45Å; G373-E377 PolarHBondContact O-N 3.44Å |
| 374 | A | 65.4 | Low | 68.1 | Low | 28 Ų | 28 | 76.6 Ų | 76.6 | 23% | 0.231 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -70.8 | -28 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L370 K371 F378 | L370-A374 HydrophobicContact CD2-CB 3.33Å; K371-A374 PolarHBondContact O-N 3.19Å; A374-F378 WeakPolarHBondContact O-CB 3.46Å; A374-F378 PolarHBondContact O-N 2.88Å; A374-F378 VanDerWaalsContact O-N 3.12Å |
| 375 | K | 66.1 | Low | 68.8 | Low | 71 Ų | 71 | 75.1 Ų | 75.1 | 31% | 0.309 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -68.2 | -43.3 | 170.7 | -73.8 | -174.4 | 175.7 | -171.8 | 0 | 112 | Y361 G373 A379 | Y361-K375 HydrophobicContact CE2-CB 4.4Å; Y361-K375 HydrophobicContact CE2-CG 3.76Å; G373-K375 PolarHBondContact O-N 3.03Å; K375-A379 WeakPolarHBondContact O-CB 3.47Å; K375-A379 PolarHBondContact O-N 3.35Å |
| 376 | S | 69.8 | Low | 69.4 | Low | 51 Ų | 51 | 74 Ų | 74 | 36% | 0.357 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -68.4 | -37.9 | 179.1 | -173.6 | 0 | 0 | 0 | 0 | 111.2 | K372 G373 A379 A380 | K372-S376 PolarHBondContact O-N 3.47Å; G373-S376 PolarHBondContact O-N 3.31Å; S376-A379 PolarHBondContact O-N 3Å; S376-A380 WeakPolarHBondContact O-CB 3.21Å; S376-A380 PolarHBondContact O-N 2.87Å |
| 377 | E | 74.6 | Confident | 70 | Confident | 144 Ų | 144 | 70.1 Ų | 70.1 | 67% | 0.673 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -65 | -44.2 | 175.5 | -170.1 | 177.9 | -179.1 | 0 | 0 | 112.2 | G373 A380 K381 | G373-E377 WeakPolarHBondContact O-CB 3.45Å; G373-E377 PolarHBondContact O-N 3.44Å; E377-A380 WeakPolarHBondContact O-CB 3.43Å; E377-A380 PolarHBondContact O-N 2.84Å; E377-K381 PolarHBondContact O-N 3.29Å |
| 378 | F | 75.3 | Confident | 71.1 | Confident | 12 Ų | 12 | 70.4 Ų | 70.4 | 5% | 0.053 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.9 | -41.4 | 175.3 | -176 | -122.8 | 0 | 0 | 0 | 112.4 | L178 L354 M358 Y361 F362 A374 A380 K381 I382 | L178-F378 HydrophobicContact CD1-CD1 3.76Å; L178-F378 HydrophobicContact CD1-CE1 3.98Å; L354-F378 HydrophobicContact CD1-CE2 4.16Å; M358-F378 HydrophobicContact CB-CE2 3.73Å; M358-F378 HydrophobicContact CB-CZ 3.9Å; M358-F378 HydrophobicContact CG-CE2 4.18Å; M358-F378 HydrophobicContact CG-CZ 3.83Å; Y361-F378 HydrophobicContact CD1-CB 4.42Å; Y361-F378 AromaticContact CD1-CD1 3.42Å; Y361-F378 HydrophobicContact CD1-CD1 3.42Å; Y361-F378 VanDerWaalsContact CD1-CD1 3.42Å; Y361-F378 AromaticContact CD1-CE1 3.72Å; Y361-F378 HydrophobicContact CD1-CE1 3.72Å; Y361-F378 AromaticContact CD1-CG 3.88Å; Y361-F378 HydrophobicContact CD1-CG 3.88Å; Y361-F378 HydrophobicContact CD1-CZ 4.42Å; Y361-F378 HydrophobicContact CD2-CB 3.83Å; Y361-F378 HydrophobicContact CD2-CD1 4.27Å; Y361-F378 HydrophobicContact CD2-CG 4.19Å; Y361-F378 AromaticContact CE1-CD1 3.72Å; Y361-F378 HydrophobicContact CE1-CD1 3.72Å; Y361-F378 HydrophobicContact CE1-CE1 4.06Å; Y361-F378 HydrophobicContact CE2-CB 4.45Å; Y361-F378 HydrophobicContact CG-CB 3.82Å; Y361-F378 AromaticContact CG-CD1 3.71Å; Y361-F378 HydrophobicContact CG-CD1 3.71Å; Y361-F378 HydrophobicContact CG-CD2 4.31Å; Y361-F378 HydrophobicContact CG-CE1 4.37Å; Y361-F378 AromaticContact CG-CG 3.68Å; Y361-F378 HydrophobicContact CG-CG 3.68Å; F362-F378 HydrophobicContact CE2-CE1 4.46Å; A374-F378 WeakPolarHBondContact O-CB 3.46Å; A374-F378 PolarHBondContact O-N 2.88Å; A374-F378 VanDerWaalsContact O-N 3.12Å; F378-A380 VanDerWaalsContact C-N 3.31Å; F378-A380 PolarHBondContact O-N 3.02Å; F378-K381 PolarHBondContact O-N 3.4Å; F378-I382 HydrophobicContact CD1-CD1 3.95Å; F378-I382 HydrophobicContact CE1-CD1 3.52Å; F378-I382 HydrophobicContact CE1-CG1 4.41Å; F378-I382 HydrophobicContact CE2-CD1 4.21Å; F378-I382 HydrophobicContact CE2-CG1 4.24Å; F378-I382 HydrophobicContact CG-CD1 4.48Å; F378-I382 HydrophobicContact CZ-CD1 3.66Å; F378-I382 HydrophobicContact CZ-CG1 4.12Å; F378-I382 PolarHBondContact O-N 2.93Å |
| 379 | A | 74.5 | Confident | 72.2 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.6 | -40.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A175 L178 D179 K375 S376 K381 I382 R383 | A175-A379 WeakPolarHBondContact CB-O 3.28Å; L178-A379 HydrophobicContact CB-CB 3.75Å; D179-A379 HydrophobicContact CB-CB 4.32Å; K375-A379 WeakPolarHBondContact O-CB 3.47Å; K375-A379 PolarHBondContact O-N 3.35Å; S376-A379 PolarHBondContact O-N 3Å; A379-K381 VanDerWaalsContact C-N 3.34Å; A379-I382 PolarHBondContact O-N 3.4Å; A379-R383 WeakPolarHBondContact O-CB 3.23Å; A379-R383 PolarHBondContact O-N 3.21Å |
| 380 | A | 79.9 | Confident | 73.4 | Confident | 51 Ų | 51 | 55.9 Ų | 55.9 | 42% | 0.421 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.5 | -41.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | S376 E377 F378 R383 E384 | S376-A380 WeakPolarHBondContact O-CB 3.21Å; S376-A380 PolarHBondContact O-N 2.87Å; E377-A380 WeakPolarHBondContact O-CB 3.43Å; E377-A380 PolarHBondContact O-N 2.84Å; F378-A380 VanDerWaalsContact C-N 3.31Å; F378-A380 PolarHBondContact O-N 3.02Å; A380-R383 PolarHBondContact O-N 3.48Å; A380-E384 WeakPolarHBondContact O-CB 3.37Å; A380-E384 PolarHBondContact O-N 3.41Å |
| 381 | K | 78.3 | Confident | 74.2 | Confident | 71 Ų | 71 | 58 Ų | 58 | 31% | 0.309 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.9 | -43.5 | 176.4 | -166.9 | 73.1 | -160.4 | 161.5 | 0 | 112.7 | L354 E377 F378 A379 R383 E384 V385 | L354-K381 HydrophobicContact CD1-CG 4.09Å; E377-K381 PolarHBondContact O-N 3.29Å; F378-K381 PolarHBondContact O-N 3.4Å; A379-K381 VanDerWaalsContact C-N 3.34Å; K381-R383 VanDerWaalsContact C-N 3.32Å; K381-R383 PolarHBondContact O-N 2.9Å; K381-E384 WeakPolarHBondContact CD-OE2 3.12Å; K381-E384 IonicContact NZ-OE1 3.47Å; K381-E384 PolarHBondContact NZ-OE1 3.31Å; K381-E384 IonicContact NZ-OE2 2.78Å; K381-E384 PolarHBondContact NZ-OE2 3.24Å; K381-E384 PolarHBondContact O-N 2.93Å; K381-V385 WeakPolarHBondContact O-CG2 3.35Å; K381-V385 PolarHBondContact O-N 2.95Å |
| 382 | I | 77.6 | Confident | 75.2 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 175.4 | -66.7 | 165.3 | 0 | 0 | 0 | 110.5 | L171 I174 A175 L178 V253 L354 F378 A379 V385 A386 | L171-I382 HydrophobicContact CB-CG2 3.98Å; L171-I382 HydrophobicContact CD2-CG2 4.12Å; L171-I382 WeakPolarHBondContact O-CG2 3.16Å; I174-I382 HydrophobicContact CG2-CD1 4.07Å; A175-I382 HydrophobicContact CB-CB 4.1Å; A175-I382 HydrophobicContact CB-CG2 3.94Å; L178-I382 HydrophobicContact CD1-CD1 3.59Å; V253-I382 HydrophobicContact CG2-CD1 4.31Å; L354-I382 HydrophobicContact CD1-CG1 3.71Å; F378-I382 HydrophobicContact CD1-CD1 3.95Å; F378-I382 HydrophobicContact CE1-CD1 3.52Å; F378-I382 HydrophobicContact CE1-CG1 4.41Å; F378-I382 HydrophobicContact CE2-CD1 4.21Å; F378-I382 HydrophobicContact CE2-CG1 4.24Å; F378-I382 HydrophobicContact CG-CD1 4.48Å; F378-I382 HydrophobicContact CZ-CD1 3.66Å; F378-I382 HydrophobicContact CZ-CG1 4.12Å; F378-I382 PolarHBondContact O-N 2.93Å; A379-I382 PolarHBondContact O-N 3.4Å; I382-V385 PolarHBondContact O-N 3.49Å; I382-A386 WeakPolarHBondContact O-CB 3.21Å; I382-A386 PolarHBondContact O-N 3.15Å |
| 383 | R | 79.8 | Confident | 76 | Confident | 68 Ų | 68 | 43 Ų | 43 | 26% | 0.257 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.5 | -39.8 | 179.3 | -168.6 | 174.8 | -69.9 | 113.4 | -6.4 | 112.6 | A175 D176 A379 A380 K381 A386 T387 | A175-R383 HydrophobicContact CB-CB 4.1Å; D176-R383 IonicContact OD1-CZ 3.78Å; D176-R383 IonicContact OD1-NE 3.84Å; D176-R383 IonicContact OD1-NH2 3.25Å; D176-R383 PolarHBondContact OD1-NH2 3.4Å; A379-R383 WeakPolarHBondContact O-CB 3.23Å; A379-R383 PolarHBondContact O-N 3.21Å; A380-R383 PolarHBondContact O-N 3.48Å; K381-R383 VanDerWaalsContact C-N 3.32Å; K381-R383 PolarHBondContact O-N 2.9Å; R383-A386 PolarHBondContact O-N 2.99Å; R383-T387 PolarHBondContact O-N 3.09Å; R383-T387 PolarHBondContact O-OG1 3.43Å |
| 384 | E | 81.5 | Confident | 76.7 | Confident | 84 Ų | 84 | 43.9 Ų | 43.9 | 39% | 0.393 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.1 | -48.5 | 173.5 | -173 | -162.2 | 165.2 | 0 | 0 | 110.6 | A380 K381 T387 Q388 | A380-E384 WeakPolarHBondContact O-CB 3.37Å; A380-E384 PolarHBondContact O-N 3.41Å; K381-E384 WeakPolarHBondContact CD-OE2 3.12Å; K381-E384 IonicContact NZ-OE1 3.47Å; K381-E384 PolarHBondContact NZ-OE1 3.31Å; K381-E384 IonicContact NZ-OE2 2.78Å; K381-E384 PolarHBondContact NZ-OE2 3.24Å; K381-E384 PolarHBondContact O-N 2.93Å; E384-T387 PolarHBondContact O-N 3.08Å; E384-Q388 WeakPolarHBondContact O-CG 3.34Å; E384-Q388 PolarHBondContact O-N 3.24Å; E384-Q388 PolarHBondContact OE1-NE2 3.47Å |
| 385 | V | 80.8 | Confident | 77.4 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.1 | -49.3 | 177.6 | 167.8 | 0 | 0 | 0 | 0 | 110.6 | L171 V350 L351 L354 K381 I382 T387 Q388 L389 | L171-V385 HydrophobicContact CD1-CG1 4.44Å; V350-V385 HydrophobicContact CG1-CB 3.99Å; V350-V385 HydrophobicContact CG1-CG1 3.91Å; V350-V385 HydrophobicContact CG1-CG2 3.67Å; L351-V385 HydrophobicContact CD2-CG1 3.97Å; L354-V385 HydrophobicContact CB-CG2 3.94Å; L354-V385 HydrophobicContact CD1-CG2 4.25Å; L354-V385 HydrophobicContact CD2-CB 4.39Å; L354-V385 HydrophobicContact CD2-CG1 4.03Å; L354-V385 HydrophobicContact CD2-CG2 4.39Å; L354-V385 HydrophobicContact CG-CG2 4.41Å; K381-V385 WeakPolarHBondContact O-CG2 3.35Å; K381-V385 PolarHBondContact O-N 2.95Å; I382-V385 PolarHBondContact O-N 3.49Å; V385-T387 PolarHBondContact O-N 3.32Å; V385-Q388 PolarHBondContact O-N 3.26Å; V385-Q388 VanDerWaalsContact O-N 3.13Å; V385-L389 HydrophobicContact CG1-CD1 3.87Å; V385-L389 HydrophobicContact CG1-CG 4.27Å; V385-L389 VanDerWaalsContact O-CG 3.28Å; V385-L389 WeakPolarHBondContact O-CG 3.29Å; V385-L389 PolarHBondContact O-N 3.3Å |
| 386 | A | 76.6 | Confident | 78 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.7 | -36.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V168 L171 N172 I382 R383 H390 | V168-A386 HydrophobicContact CG1-CB 4.42Å; V168-A386 WeakPolarHBondContact CG1-O 3.46Å; L171-A386 HydrophobicContact CB-CB 3.87Å; N172-A386 WeakPolarHBondContact ND2-CB 3.36Å; I382-A386 WeakPolarHBondContact O-CB 3.21Å; I382-A386 PolarHBondContact O-N 3.15Å; R383-A386 PolarHBondContact O-N 2.99Å; A386-H390 WeakPolarHBondContact O-CB 3.22Å; A386-H390 PolarHBondContact O-N 2.99Å |
| 387 | T | 79.5 | Confident | 78.5 | Confident | 49 Ų | 49 | 42 Ų | 42 | 30% | 0.301 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -66.2 | -46 | 175.5 | -53.1 | 0 | 0 | 0 | 0 | 111.4 | R383 E384 V385 L389 H390 D391 | R383-T387 PolarHBondContact O-N 3.09Å; R383-T387 PolarHBondContact O-OG1 3.43Å; E384-T387 PolarHBondContact O-N 3.08Å; V385-T387 PolarHBondContact O-N 3.32Å; T387-L389 VanDerWaalsContact C-N 3.32Å; T387-L389 PolarHBondContact O-N 2.87Å; T387-H390 WeakPolarHBondContact O-CB 3.39Å; T387-H390 PolarHBondContact O-N 3.22Å; T387-D391 VanDerWaalsContact O-CG 3.26Å; T387-D391 PolarHBondContact O-N 2.88Å |
| 388 | Q | 79.6 | Confident | 78.6 | Confident | 73 Ų | 73 | 38 Ų | 38 | 34% | 0.341 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.6 | -35.2 | 179.1 | -68.8 | 179.1 | 34.9 | 0 | 0 | 112.6 | V350 E384 V385 G392 | V350-Q388 HydrophobicContact CG1-CB 4.2Å; E384-Q388 WeakPolarHBondContact O-CG 3.34Å; E384-Q388 PolarHBondContact O-N 3.24Å; E384-Q388 PolarHBondContact OE1-NE2 3.47Å; V385-Q388 PolarHBondContact O-N 3.26Å; V385-Q388 VanDerWaalsContact O-N 3.13Å; Q388-G392 PolarHBondContact O-N 3.43Å |
| 389 | L | 79.6 | Confident | 78.6 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.2 | -41 | 174.3 | -62.8 | 175.9 | 0 | 0 | 0 | 111.8 | V168 L171 Y260 A347 L351 V385 T387 G392 L393 | V168-L389 HydrophobicContact CG2-CB 3.76Å; L171-L389 HydrophobicContact CD1-CD1 3.83Å; Y260-L389 HydrophobicContact CD1-CD2 4.45Å; Y260-L389 HydrophobicContact CD2-CD1 4.38Å; Y260-L389 HydrophobicContact CE1-CD2 3.73Å; Y260-L389 HydrophobicContact CE2-CB 4.23Å; Y260-L389 HydrophobicContact CE2-CD1 4.17Å; Y260-L389 HydrophobicContact CE2-CD2 4.48Å; A347-L389 HydrophobicContact CB-CD2 3.61Å; L351-L389 HydrophobicContact CD1-CD1 4.43Å; L351-L389 HydrophobicContact CD1-CD2 4.06Å; L351-L389 HydrophobicContact CD2-CD1 3.59Å; L351-L389 HydrophobicContact CD2-CD2 4.4Å; L351-L389 HydrophobicContact CG-CD1 4.16Å; L351-L389 HydrophobicContact CG-CD2 4.04Å; V385-L389 HydrophobicContact CG1-CD1 3.87Å; V385-L389 HydrophobicContact CG1-CG 4.27Å; V385-L389 VanDerWaalsContact O-CG 3.28Å; V385-L389 WeakPolarHBondContact O-CG 3.29Å; V385-L389 PolarHBondContact O-N 3.3Å; T387-L389 VanDerWaalsContact C-N 3.32Å; T387-L389 PolarHBondContact O-N 2.87Å; L389-G392 PolarHBondContact O-N 3.41Å; L389-L393 WeakPolarHBondContact O-CG 3.25Å; L389-L393 PolarHBondContact O-N 2.91Å |
| 390 | H | 78.9 | Confident | 78.8 | Confident | 54 Ų | 54 | 38.2 Ų | 38.2 | 25% | 0.25 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.7 | -53.7 | 172.9 | 176.7 | 77.5 | 0 | 0 | 0 | 111.6 | W165 V168 A386 T387 G392 L393 V394 | W165-H390 AromaticContact CE3-ND1 3.94Å; W165-H390 AromaticContact CH2-CE1 3.12Å; W165-H390 WeakPolarHBondContact CH2-CE1 3.3Å; W165-H390 AromaticContact CH2-ND1 3.11Å; W165-H390 WeakPolarHBondContact CH2-ND1 3.46Å; W165-H390 AromaticContact CZ3-CE1 3.14Å; W165-H390 WeakPolarHBondContact CZ3-CE1 3.36Å; W165-H390 AromaticContact CZ3-ND1 2.89Å; W165-H390 WeakPolarHBondContact CZ3-ND1 3.14Å; V168-H390 HydrophobicContact CG1-CB 4Å; A386-H390 WeakPolarHBondContact O-CB 3.22Å; A386-H390 PolarHBondContact O-N 2.99Å; T387-H390 WeakPolarHBondContact O-CB 3.39Å; T387-H390 PolarHBondContact O-N 3.22Å; H390-G392 VanDerWaalsContact C-N 3.26Å; H390-G392 PolarHBondContact O-N 3.39Å; H390-L393 PolarHBondContact O-N 2.83Å; H390-L393 VanDerWaalsContact O-N 3.1Å; H390-V394 WeakPolarHBondContact O-CG2 3.41Å; H390-V394 PolarHBondContact O-N 2.98Å |
| 391 | D | 77.1 | Confident | 78.6 | Confident | 90 Ų | 90 | 40.1 Ų | 40.1 | 48% | 0.481 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -58.8 | -42 | -179.9 | -66.6 | -18 | 0 | 0 | 0 | 110.6 | T387 L393 V394 E395 | T387-D391 VanDerWaalsContact O-CG 3.26Å; T387-D391 PolarHBondContact O-N 2.88Å; D391-L393 PolarHBondContact O-N 2.78Å; D391-V394 PolarHBondContact O-N 2.99Å; D391-E395 WeakPolarHBondContact O-CB 3.35Å; D391-E395 PolarHBondContact O-N 3.45Å |
| 392 | G | 78.3 | Confident | 78.4 | Confident | 9 Ų | 9 | 40.3 Ų | 40.3 | 9% | 0.093 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.8 | -39.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | I343 Q388 L389 H390 E395 L396 | I343-G392 VanDerWaalsContact CG2-O 3.31Å; I343-G392 WeakPolarHBondContact CG2-O 3.33Å; Q388-G392 PolarHBondContact O-N 3.43Å; L389-G392 PolarHBondContact O-N 3.41Å; H390-G392 VanDerWaalsContact C-N 3.26Å; H390-G392 PolarHBondContact O-N 3.39Å; G392-E395 PolarHBondContact O-N 3.42Å; G392-L396 WeakPolarHBondContact O-CB 3.39Å; G392-L396 VanDerWaalsContact O-CG 3.22Å; G392-L396 WeakPolarHBondContact O-CG 3.48Å; G392-L396 PolarHBondContact O-N 3.43Å |
| 393 | L | 80.1 | Confident | 78.1 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.8 | -38.8 | 175.8 | -72.8 | 172.2 | 0 | 0 | 0 | 112.4 | L164 W165 V168 Y260 L389 H390 D391 L396 N397 | L164-L393 HydrophobicContact CB-CD1 3.89Å; L164-L393 HydrophobicContact CB-CD2 3.76Å; L164-L393 HydrophobicContact CB-CG 4.49Å; L164-L393 HydrophobicContact CD1-CD2 3.83Å; L164-L393 HydrophobicContact CG-CD2 4.31Å; W165-L393 HydrophobicContact CD2-CD1 4.21Å; W165-L393 HydrophobicContact CG-CD1 4.24Å; W165-L393 HydrophobicContact CZ2-CB 4.11Å; V168-L393 HydrophobicContact CG2-CD1 4.03Å; Y260-L393 HydrophobicContact CE2-CD1 4.27Å; L389-L393 WeakPolarHBondContact O-CG 3.25Å; L389-L393 PolarHBondContact O-N 2.91Å; H390-L393 PolarHBondContact O-N 2.83Å; H390-L393 VanDerWaalsContact O-N 3.1Å; D391-L393 PolarHBondContact O-N 2.78Å; L393-L396 PolarHBondContact O-N 3.47Å; L393-N397 PolarHBondContact O-N 3.48Å |
| 394 | V | 78.6 | Confident | 77.3 | Confident | 65 Ų | 65 | 41.2 Ų | 41.2 | 39% | 0.394 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.5 | -48.2 | 174.7 | 172.4 | 0 | 0 | 0 | 0 | 110 | W165 H390 D391 L396 N397 T398 | W165-V394 HydrophobicContact CH2-CG2 3.74Å; W165-V394 HydrophobicContact CZ2-CG2 3.86Å; H390-V394 WeakPolarHBondContact O-CG2 3.41Å; H390-V394 PolarHBondContact O-N 2.98Å; D391-V394 PolarHBondContact O-N 2.99Å; V394-L396 VanDerWaalsContact C-N 3.35Å; V394-L396 PolarHBondContact O-N 2.88Å; V394-N397 PolarHBondContact O-N 3.29Å; V394-N397 VanDerWaalsContact O-N 3.15Å; V394-T398 PolarHBondContact O-N 2.86Å; V394-T398 PolarHBondContact O-OG1 2.96Å |
| 395 | E | 78.2 | Confident | 75.9 | Confident | 86 Ų | 86 | 41.6 Ų | 41.6 | 40% | 0.402 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.8 | -37.5 | 179.6 | -164.6 | 178.5 | 175.2 | 0 | 0 | 111.9 | I343 D391 G392 N397 T398 I399 | I343-E395 HydrophobicContact CD1-CB 3.77Å; I343-E395 HydrophobicContact CD1-CG 3.36Å; I343-E395 WeakPolarHBondContact CD1-OE1 3.31Å; I343-E395 WeakPolarHBondContact CD1-OE2 3.27Å; I343-E395 HydrophobicContact CG1-CB 4.49Å; I343-E395 HydrophobicContact CG1-CG 4.29Å; I343-E395 WeakPolarHBondContact CG1-OE2 3.14Å; D391-E395 WeakPolarHBondContact O-CB 3.35Å; D391-E395 PolarHBondContact O-N 3.45Å; G392-E395 PolarHBondContact O-N 3.42Å; E395-N397 VanDerWaalsContact C-N 3.3Å; E395-N397 PolarHBondContact O-N 3.01Å; E395-T398 WeakPolarHBondContact O-CB 3.39Å; E395-T398 PolarHBondContact O-N 2.96Å; E395-I399 HydrophobicContact CG-CD1 4.28Å; E395-I399 VanDerWaalsContact O-CG1 3.24Å; E395-I399 WeakPolarHBondContact O-CG1 3.09Å; E395-I399 PolarHBondContact O-N 3.35Å |
| 396 | L | 79.8 | Confident | 74.3 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62 | -36.4 | 172.4 | -77.2 | 172.2 | 0 | 0 | 0 | 112.6 | F157 I264 L271 A340 I343 G392 L393 V394 I399 R400 | F157-L396 HydrophobicContact CD2-CB 4.42Å; F157-L396 HydrophobicContact CE2-CB 3.62Å; F157-L396 HydrophobicContact CE2-CD1 4.46Å; F157-L396 HydrophobicContact CZ-CB 4.23Å; I264-L396 HydrophobicContact CD1-CD1 3.89Å; L271-L396 HydrophobicContact CD1-CD2 3.72Å; A340-L396 HydrophobicContact CB-CD2 4.16Å; I343-L396 HydrophobicContact CG2-CD1 4.32Å; I343-L396 HydrophobicContact CG2-CD2 4.5Å; I343-L396 HydrophobicContact CG2-CG 3.96Å; G392-L396 WeakPolarHBondContact O-CB 3.39Å; G392-L396 VanDerWaalsContact O-CG 3.22Å; G392-L396 WeakPolarHBondContact O-CG 3.48Å; G392-L396 PolarHBondContact O-N 3.43Å; L393-L396 PolarHBondContact O-N 3.47Å; V394-L396 VanDerWaalsContact C-N 3.35Å; V394-L396 PolarHBondContact O-N 2.88Å; L396-I399 PolarHBondContact O-N 3.27Å; L396-R400 WeakPolarHBondContact O-CB 3.39Å; L396-R400 PolarHBondContact O-N 3.12Å |
| 397 | N | 79.4 | Confident | 72.3 | Confident | 22 Ų | 22 | 46.6 Ų | 46.6 | 12% | 0.118 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.3 | -42.2 | 173.4 | -173.7 | 61.8 | 0 | 0 | 0 | 112 | L95 F157 L393 V394 E395 I399 R400 E401 | L95-N397 HydrophobicContact CD2-CB 3.93Å; L95-N397 VanDerWaalsContact CD2-ND2 3.33Å; L95-N397 WeakPolarHBondContact CD2-ND2 3.34Å; L95-N397 WeakPolarHBondContact CD2-OD1 3.46Å; F157-N397 HydrophobicContact CE1-CB 3.97Å; F157-N397 HydrophobicContact CZ-CB 3.85Å; L393-N397 PolarHBondContact O-N 3.48Å; V394-N397 PolarHBondContact O-N 3.29Å; V394-N397 VanDerWaalsContact O-N 3.15Å; E395-N397 VanDerWaalsContact C-N 3.3Å; E395-N397 PolarHBondContact O-N 3.01Å; N397-I399 VanDerWaalsContact C-N 3.26Å; N397-I399 PolarHBondContact O-N 3Å; N397-R400 VanDerWaalsContact O-CB 3.25Å; N397-R400 WeakPolarHBondContact O-CB 3.33Å; N397-R400 PolarHBondContact O-N 3.03Å; N397-R400 VanDerWaalsContact O-N 3.11Å; N397-E401 PolarHBondContact ND2-OE1 3.3Å; N397-E401 PolarHBondContact O-N 3.43Å |
| 398 | T | 77.8 | Confident | 70.1 | Confident | 60 Ų | 60 | 46.8 Ų | 46.8 | 37% | 0.368 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -56.7 | -43.7 | 173.6 | -54.3 | 0 | 0 | 0 | 0 | 111.1 | V394 E395 R400 E401 E402 | V394-T398 PolarHBondContact O-N 2.86Å; V394-T398 PolarHBondContact O-OG1 2.96Å; E395-T398 WeakPolarHBondContact O-CB 3.39Å; E395-T398 PolarHBondContact O-N 2.96Å; T398-R400 VanDerWaalsContact C-N 3.33Å; T398-R400 PolarHBondContact O-N 3.19Å; T398-E401 WeakPolarHBondContact O-CB 3.37Å; T398-E401 PolarHBondContact O-N 3.02Å; T398-E402 WeakPolarHBondContact O-CG 3.47Å; T398-E402 PolarHBondContact O-N 3.33Å |
| 399 | I | 75.4 | Confident | 67.7 | Low | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.1 | -38.5 | 177.5 | -68.1 | 167.4 | 0 | 0 | 0 | 111.1 | T336 R339 A340 I343 E395 L396 N397 E401 E402 L403 | T336-I399 HydrophobicContact CG2-CB 3.99Å; T336-I399 HydrophobicContact CG2-CG1 4.02Å; T336-I399 HydrophobicContact CG2-CG2 3.37Å; R339-I399 HydrophobicContact CB-CD1 4.06Å; A340-I399 HydrophobicContact CB-CD1 3.78Å; A340-I399 HydrophobicContact CB-CG2 3.74Å; I343-I399 HydrophobicContact CD1-CD1 3.44Å; I343-I399 VanDerWaalsContact CD1-CD1 3.44Å; E395-I399 HydrophobicContact CG-CD1 4.28Å; E395-I399 VanDerWaalsContact O-CG1 3.24Å; E395-I399 WeakPolarHBondContact O-CG1 3.09Å; E395-I399 PolarHBondContact O-N 3.35Å; L396-I399 PolarHBondContact O-N 3.27Å; N397-I399 VanDerWaalsContact C-N 3.26Å; N397-I399 PolarHBondContact O-N 3Å; I399-E401 VanDerWaalsContact C-N 3.32Å; I399-E401 PolarHBondContact O-N 3.18Å; I399-E402 PolarHBondContact O-N 2.99Å; I399-L403 HydrophobicContact CG2-CD1 3.93Å; I399-L403 HydrophobicContact CG2-CG 4.38Å; I399-L403 WeakPolarHBondContact O-CB 3.26Å; I399-L403 VanDerWaalsContact O-CG 3.28Å; I399-L403 WeakPolarHBondContact O-CG 3.5Å; I399-L403 PolarHBondContact O-N 3.1Å |
| 400 | R | 78.4 | Confident | 65.3 | Low | 13 Ų | 13 | 55.4 Ų | 55.4 | 5% | 0.049 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.8 | -46 | 172.9 | -173.1 | -164.3 | 162.8 | -152.8 | 5.2 | 111.3 | L95 F153 N154 S158 L396 N397 T398 L403 H404 | L95-R400 PolarHBondContact O-NH1 3.37Å; L95-R400 PolarHBondContact O-NH2 3.45Å; F153-R400 HydrophobicContact CE1-CB 3.81Å; F153-R400 HydrophobicContact CE1-CG 4.05Å; F153-R400 HydrophobicContact CZ-CB 4.4Å; N154-R400 WeakPolarHBondContact OD1-CG 3.32Å; S158-R400 PolarHBondContact OG-NH2 3.38Å; L396-R400 WeakPolarHBondContact O-CB 3.39Å; L396-R400 PolarHBondContact O-N 3.12Å; N397-R400 VanDerWaalsContact O-CB 3.25Å; N397-R400 WeakPolarHBondContact O-CB 3.33Å; N397-R400 PolarHBondContact O-N 3.03Å; N397-R400 VanDerWaalsContact O-N 3.11Å; T398-R400 VanDerWaalsContact C-N 3.33Å; T398-R400 PolarHBondContact O-N 3.19Å; R400-L403 PolarHBondContact O-N 3.34Å; R400-H404 WeakPolarHBondContact O-CB 3.18Å; R400-H404 PolarHBondContact O-N 3.47Å |
| 401 | E | 74.6 | Confident | 63.3 | Low | 92 Ų | 92 | 61.4 Ų | 61.4 | 43% | 0.43 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.2 | -42.2 | 176 | -69.3 | 170.9 | -163.1 | 0 | 0 | 111.7 | N397 T398 I399 L403 H404 S405 | N397-E401 PolarHBondContact ND2-OE1 3.3Å; N397-E401 PolarHBondContact O-N 3.43Å; T398-E401 WeakPolarHBondContact O-CB 3.37Å; T398-E401 PolarHBondContact O-N 3.02Å; I399-E401 VanDerWaalsContact C-N 3.32Å; I399-E401 PolarHBondContact O-N 3.18Å; E401-L403 VanDerWaalsContact C-N 3.35Å; E401-L403 PolarHBondContact O-N 2.96Å; E401-H404 PolarHBondContact O-N 3.2Å; E401-S405 VanDerWaalsContact O-CB 3.24Å; E401-S405 WeakPolarHBondContact O-CB 3.25Å; E401-S405 PolarHBondContact O-N 3.05Å; E401-S405 PolarHBondContact O-OG 3.29Å |
| 402 | E | 74.6 | Confident | 61 | Low | 74 Ų | 74 | 61.6 Ų | 61.6 | 35% | 0.346 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.1 | -41 | 175 | -73.6 | 179.7 | -169.1 | 0 | 0 | 112.3 | T336 T398 I399 H404 | T336-E402 WeakPolarHBondContact CB-OE2 3.37Å; T336-E402 HydrophobicContact CG2-CB 4Å; T336-E402 WeakPolarHBondContact CG2-OE2 3.48Å; T336-E402 PolarHBondContact OG1-OE2 3.23Å; T398-E402 WeakPolarHBondContact O-CG 3.47Å; T398-E402 PolarHBondContact O-N 3.33Å; I399-E402 PolarHBondContact O-N 2.99Å; E402-H404 VanDerWaalsContact C-N 3.32Å |
| 403 | L | 71.3 | Confident | 58.7 | Low | 3 Ų | 3 | 68.3 Ų | 68.3 | 2% | 0.016 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -70.5 | -28.1 | 177.4 | -70.8 | 170.6 | 0 | 0 | 0 | 112.3 | I150 F153 A333 T336 I399 R400 E401 T406 | I150-L403 HydrophobicContact CD1-CD2 4.18Å; I150-L403 HydrophobicContact CG1-CD2 4.47Å; I150-L403 HydrophobicContact CG2-CB 4.12Å; F153-L403 HydrophobicContact CD1-CD1 4.19Å; F153-L403 HydrophobicContact CE1-CD1 4.24Å; A333-L403 HydrophobicContact CB-CD2 3.86Å; T336-L403 HydrophobicContact CG2-CD2 4.44Å; T336-L403 HydrophobicContact CG2-CG 4.24Å; I399-L403 HydrophobicContact CG2-CD1 3.93Å; I399-L403 HydrophobicContact CG2-CG 4.38Å; I399-L403 WeakPolarHBondContact O-CB 3.26Å; I399-L403 VanDerWaalsContact O-CG 3.28Å; I399-L403 WeakPolarHBondContact O-CG 3.5Å; I399-L403 PolarHBondContact O-N 3.1Å; R400-L403 PolarHBondContact O-N 3.34Å; E401-L403 VanDerWaalsContact C-N 3.35Å; E401-L403 PolarHBondContact O-N 2.96Å; L403-T406 PolarHBondContact O-OG1 2.83Å |
| 404 | H | 63.1 | Low | 56.2 | Low | 85 Ų | 85 | 71.4 Ų | 71.4 | 39% | 0.394 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -83.9 | -36.6 | 176.1 | -100.4 | -81.2 | 0 | 0 | 0 | 114.1 | N154 R400 E401 E402 T406 T407 | N154-H404 PolarHBondContact ND2-CD2 2.88Å; N154-H404 PolarHBondContact ND2-NE2 3.41Å; N154-H404 PolarHBondContact OD1-CD2 3.19Å; N154-H404 PolarHBondContact OD1-NE2 2.83Å; R400-H404 WeakPolarHBondContact O-CB 3.18Å; R400-H404 PolarHBondContact O-N 3.47Å; E401-H404 PolarHBondContact O-N 3.2Å; E402-H404 VanDerWaalsContact C-N 3.32Å; H404-T406 PolarHBondContact O-N 3.12Å; H404-T406 VanDerWaalsContact O-N 3.13Å; H404-T407 PolarHBondContact O-OG1 3.15Å |
| 405 | S | 52.1 | Low | 53.8 | Low | 91 Ų | 91 | 78.3 Ų | 78.3 | 64% | 0.636 | 45% | 0.45 | S | S | * | . | trans | -75.5 | 1.3 | -170.2 | -58.3 | 0 | 0 | 0 | 0 | 114.3 | E401 T407 | E401-S405 VanDerWaalsContact O-CB 3.24Å; E401-S405 WeakPolarHBondContact O-CB 3.25Å; E401-S405 PolarHBondContact O-N 3.05Å; E401-S405 PolarHBondContact O-OG 3.29Å; S405-T407 PolarHBondContact O-N 3.21Å | ||
| 406 | T | 48.1 | Very low | 51.4 | Low | 22 Ų | 22 | 83.5 Ų | 83.5 | 14% | 0.135 | 47% | 0.474 | C | S | . | . | trans | -76.2 | 40.1 | 167 | 56 | 0 | 0 | 0 | 0 | 111.7 | R325 I329 L403 H404 | R325-T406 WeakPolarHBondContact CG-O 3.39Å; R325-T406 WeakPolarHBondContact CG-OG1 3.35Å; R325-T406 PolarHBondContact NE-O 3.49Å; I329-T406 HydrophobicContact CG1-CG2 4.12Å; L403-T406 PolarHBondContact O-OG1 2.83Å; H404-T406 PolarHBondContact O-N 3.12Å; H404-T406 VanDerWaalsContact O-N 3.13Å | ||
| 407 | T | 33.3 | Very low | 48.9 | Very low | 84 Ų | 84 | 87 Ų | 87 | 52% | 0.515 | 51% | 0.511 | S | S | . | . | trans | -80.3 | 130.2 | 167 | -56.7 | 0 | 0 | 0 | 0 | 106.9 | H404 S405 E409 | H404-T407 PolarHBondContact O-OG1 3.15Å; S405-T407 PolarHBondContact O-N 3.21Å; T407-E409 VanDerWaalsContact C-N 3.31Å; T407-E409 PolarHBondContact O-N 3.35Å | ||
| 408 | P | 34.4 | Very low | 46.4 | Very low | 54 Ų | 54 | 95.1 Ų | 95.1 | 35% | 0.351 | 55% | 0.548 | S | S | . | . | trans | -75.7 | 91.6 | -178.2 | 23 | -16.2 | 0 | 0 | 0 | 108 | N321 | N321-P408 VanDerWaalsContact CG-CG 3.45Å; N321-P408 VanDerWaalsContact ND2-CG 3.26Å; N321-P408 WeakPolarHBondContact ND2-CG 3.21Å; N321-P408 WeakPolarHBondContact OD1-CG 3.41Å | ||
| 409 | E | 28.3 | Very low | 44 | Very low | 183 Ų | 183 | 98.2 Ų | 98.2 | 86% | 0.855 | 57% | 0.572 | S | S | * | * | trans | -66.3 | 134.5 | 152.3 | -69.6 | -170.1 | 163.6 | 0 | 0 | 107.7 | T407 | T407-E409 VanDerWaalsContact C-N 3.31Å; T407-E409 PolarHBondContact O-N 3.35Å | ||
| 410 | G | 29.8 | Very low | 41.6 | Very low | 70 Ų | 70 | 105.4 Ų | 105.4 | 72% | 0.722 | 61% | 0.606 | S | S | * | * | trans | -52.2 | 146.1 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | A412 | G410-A412 PolarHBondContact O-N 3.41Š| ||
| 411 | I | 37 | Very low | 39.2 | Very low | 181 Ų | 181 | 113 Ų | 113 | 93% | 0.928 | 64% | 0.639 | S | S | * | * | trans | -57.6 | 108.4 | 165 | -62.2 | 170.2 | 0 | 0 | 0 | 108.2 | ||||
| 412 | A | 28.7 | Very low | 36.9 | Very low | 93 Ų | 93 | 118.3 Ų | 118.3 | 77% | 0.769 | 66% | 0.661 | S | S | * | * | trans | -160.8 | 128.3 | 154.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | G410 | G410-A412 PolarHBondContact O-N 3.41Š| ||
| 413 | D | 29.1 | Very low | 34.6 | Very low | 151 Ų | 151 | 123 Ų | 123 | 81% | 0.807 | 68% | 0.683 | S | S | * | * | cis | -161 | 145.3 | -7.2 | -160 | -5.1 | 0 | 0 | 0 | 104.3 | K415 | D413-K415 PolarHBondContact O-N 3.45Š| ||
| 414 | G | 27.3 | Very low | 32.4 | Very low | 64 Ų | 64 | 129.1 Ų | 129.1 | 66% | 0.66 | 72% | 0.72 | S | S | * | * | trans | -71 | 123.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | E416 | G414-E416 PolarHBondContact O-N 2.69Š| ||
| 415 | K | 28.9 | Very low | 30.6 | Very low | 211 Ų | 211 | 129.7 Ų | 129.7 | 92% | 0.917 | 73% | 0.734 | S | S | * | * | trans | -82.1 | 91.2 | 164.8 | -85.6 | -171.9 | 178.5 | 174.5 | 0 | 110.3 | D413 | D413-K415 PolarHBondContact O-N 3.45Š| ||
| 416 | E | 28.6 | Very low | 29.4 | Very low | 194 Ų | 194 | 134.3 Ų | 134.3 | 91% | 0.907 | 75% | 0.745 | S | S | * | * | trans | -142.2 | 108.8 | 142.9 | -71.4 | -171.7 | 161.3 | 0 | 0 | 104.6 | G414 | G414-E416 PolarHBondContact O-N 2.69Š| ||
| 417 | G | 26.3 | Very low | 28.4 | Very low | 76 Ų | 76 | 142.5 Ų | 142.5 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | 103.5 | 89.9 | 79.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 418 | E | 26.3 | Very low | 28.1 | Very low | 192 Ų | 192 | 146.9 Ų | 146.9 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | trans | 52.5 | 111.2 | 148.1 | -128.1 | 173.8 | -168.1 | 0 | 0 | 119.9 | ||||
| 419 | S | 27.4 | Very low | 27.9 | Very low | 126 Ų | 126 | 150.6 Ų | 150.6 | 88% | 0.881 | 81% | 0.81 | S | S | * | * | -175 | 147.4 | 125.4 | 38.2 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 420 | E | 26.5 | Very low | 28 | Very low | 154 Ų | 154 | 151.6 Ų | 151.6 | 72% | 0.72 | 82% | 0.815 | S | S | * | * | trans | -78.3 | 154.5 | -161.7 | -64.1 | -177.7 | 107.8 | 0 | 0 | 116.7 | ||||
| 421 | K | 27.2 | Very low | 28.6 | Very low | 173 Ų | 173 | 152.7 Ų | 152.7 | 75% | 0.752 | 81% | 0.812 | S | S | * | * | trans | 60.3 | 121.1 | 141.3 | -71.7 | 163.6 | -178.4 | 144.2 | 0 | 119.1 | ||||
| 422 | K | 26.6 | Very low | 29.1 | Very low | 204 Ų | 204 | 148.4 Ų | 148.4 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | -171.8 | 137.2 | 89.2 | -144.7 | 170.9 | -178.8 | 179.5 | 0 | 112.1 | |||||
| 423 | E | 26.2 | Very low | 29.9 | Very low | 173 Ų | 173 | 149.9 Ų | 149.9 | 81% | 0.808 | 79% | 0.792 | S | S | * | * | trans | -54.4 | 152.9 | 172.3 | -59.2 | 165.2 | 146.6 | 0 | 0 | 112.9 | ||||
| 424 | T | 25.5 | Very low | 30.6 | Very low | 130 Ų | 130 | 150.6 Ų | 150.6 | 80% | 0.798 | 79% | 0.791 | S | S | * | * | -175.8 | 136.2 | 99.5 | -43.4 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 425 | S | 23.9 | Very low | 31.7 | Very low | 97 Ų | 97 | 151.6 Ų | 151.6 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | trans | 5.7 | 139.8 | 163.1 | 69.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 426 | E | 27.7 | Very low | 32.6 | Very low | 188 Ų | 188 | 147.4 Ų | 147.4 | 88% | 0.879 | 77% | 0.765 | S | S | * | * | -156.5 | 154.2 | 72.5 | -85.8 | 175.4 | 164.6 | 0 | 0 | 113.3 | |||||
| 427 | K | 26.6 | Very low | 33.9 | Very low | 195 Ų | 195 | 142.6 Ų | 142.6 | 85% | 0.848 | 75% | 0.745 | S | S | * | * | trans | -86.8 | 142 | -171.7 | -62 | 172.8 | 176.2 | 177.8 | 0 | 112.3 | ||||
| 428 | H | 27.9 | Very low | 35.5 | Very low | 176 Ų | 176 | 143.9 Ų | 143.9 | 82% | 0.815 | 73% | 0.733 | S | S | * | * | -167.6 | 119.7 | 123 | -110.3 | -53.3 | 0 | 0 | 0 | 113.3 | |||||
| 429 | D | 30 | Very low | 37.3 | Very low | 131 Ų | 131 | 143 Ų | 143 | 70% | 0.701 | 72% | 0.722 | S | S | * | * | trans | 5.6 | 114.7 | 154.9 | -48.8 | -50.4 | 0 | 0 | 0 | 121.7 | ||||
| 430 | E | 30 | Very low | 39.1 | Very low | 205 Ų | 205 | 141.2 Ų | 141.2 | 96% | 0.958 | 70% | 0.702 | S | S | * | * | trans | -133.7 | 93.5 | 140 | -99.8 | 179.5 | 175.6 | 0 | 0 | 108.1 | ||||
| 431 | S | 42.2 | Very low | 40.9 | Very low | 93 Ų | 93 | 140 Ų | 140 | 65% | 0.65 | 69% | 0.694 | S | S | * | * | trans | -118.6 | 98.6 | 173.9 | 158.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 432 | S | 47.4 | Very low | 42.8 | Very low | 91 Ų | 91 | 139.8 Ų | 139.8 | 64% | 0.636 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -139.6 | -22.4 | 171.3 | -164.6 | 0 | 0 | 0 | 0 | 115.3 | ||
| 433 | D | 45.6 | Very low | 44.6 | Very low | 123 Ų | 123 | 133 Ų | 133 | 66% | 0.658 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -106.2 | -23.6 | -167.5 | -59.9 | -15.5 | 0 | 0 | 0 | 114.3 | ||
| 434 | E | 44.8 | Very low | 46.6 | Very low | 166 Ų | 166 | 129.3 Ų | 129.3 | 78% | 0.776 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -73.3 | -31.1 | 177.9 | -70.6 | -85.4 | 157.9 | 0 | 0 | 112.3 | E436 D438 | E434-E436 PolarHBondContact O-N 2.99Å; E434-D438 PolarHBondContact O-N 2.9Å |
| 435 | D | 49.2 | Very low | 48.5 | Very low | 85 Ų | 85 | 129.4 Ų | 129.4 | 46% | 0.455 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -76.7 | -18.8 | -177 | -87.1 | -12.3 | 0 | 0 | 0 | 114 | R439 | D435-R439 WeakPolarHBondContact O-CB 3.46Å; D435-R439 VanDerWaalsContact O-CG 3.3Å; D435-R439 WeakPolarHBondContact O-CG 3.36Å; D435-R439 PolarHBondContact O-N 3.44Å; D435-R439 PolarHBondContact O-NE 2.99Å |
| 436 | E | 49.7 | Very low | 50.4 | Low | 124 Ų | 124 | 132.3 Ų | 132.3 | 58% | 0.579 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -84.7 | -39.5 | -179.2 | -161.3 | 167.7 | -155.1 | 0 | 0 | 110.9 | E434 D438 R439 I440 | E434-E436 PolarHBondContact O-N 2.99Å; E436-D438 VanDerWaalsContact C-N 3.34Å; E436-D438 PolarHBondContact O-N 2.9Å; E436-R439 PolarHBondContact O-N 3.34Å; E436-I440 HydrophobicContact CG-CD1 4.23Å; E436-I440 VanDerWaalsContact O-CG1 3.25Å; E436-I440 WeakPolarHBondContact O-CG1 3.49Å; E436-I440 PolarHBondContact O-N 2.76Å |
| 437 | I | 54.5 | Low | 52 | Low | 93 Ų | 93 | 127.5 Ų | 127.5 | 48% | 0.477 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -63.3 | -41.7 | 175.9 | -62.9 | 178 | 0 | 0 | 0 | 110.7 | I440 K441 | I437-I440 PolarHBondContact O-N 3.38Å; I437-K441 HydrophobicContact CG2-CD 4.31Å; I437-K441 WeakPolarHBondContact O-CG 2.93Å; I437-K441 PolarHBondContact O-N 2.9Å |
| 438 | D | 59.8 | Low | 53.3 | Low | 103 Ų | 103 | 123.8 Ų | 123.8 | 55% | 0.551 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -71.2 | -31.9 | 178.2 | -100.6 | 9.1 | 0 | 0 | 0 | 112.7 | E434 E436 K442 | E434-D438 PolarHBondContact O-N 2.9Å; E436-D438 VanDerWaalsContact C-N 3.34Å; E436-D438 PolarHBondContact O-N 2.9Å; D438-K442 WeakPolarHBondContact O-CB 3.25Å; D438-K442 PolarHBondContact O-N 3.01Å |
| 439 | R | 64.4 | Low | 55 | Low | 173 Ų | 173 | 121 Ų | 121 | 65% | 0.653 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -66.3 | -42.4 | 170.4 | -82.4 | -177.6 | -111.4 | -151.4 | -3.3 | 112.2 | D435 E436 K442 A443 | D435-R439 WeakPolarHBondContact O-CB 3.46Å; D435-R439 VanDerWaalsContact O-CG 3.3Å; D435-R439 WeakPolarHBondContact O-CG 3.36Å; D435-R439 PolarHBondContact O-N 3.44Å; D435-R439 PolarHBondContact O-NE 2.99Å; E436-R439 PolarHBondContact O-N 3.34Å; R439-K442 PolarHBondContact O-N 3.44Å; R439-A443 WeakPolarHBondContact O-CB 3.37Å; R439-A443 PolarHBondContact O-N 3.01Å |
| 440 | I | 65.8 | Low | 56.3 | Low | 89 Ų | 89 | 117.9 Ų | 117.9 | 46% | 0.456 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -64.7 | -44.8 | 177.6 | -68.1 | 165.1 | 0 | 0 | 0 | 110.4 | E436 I437 K442 A443 I444 | E436-I440 HydrophobicContact CG-CD1 4.23Å; E436-I440 VanDerWaalsContact O-CG1 3.25Å; E436-I440 WeakPolarHBondContact O-CG1 3.49Å; E436-I440 PolarHBondContact O-N 2.76Å; I437-I440 PolarHBondContact O-N 3.38Å; I440-K442 VanDerWaalsContact C-N 3.31Å; I440-K442 PolarHBondContact O-N 3.2Å; I440-A443 PolarHBondContact O-N 3.41Å; I440-I444 HydrophobicContact CG2-CD1 3.77Å; I440-I444 HydrophobicContact CG2-CG1 4.46Å; I440-I444 VanDerWaalsContact O-CG1 3.32Å; I440-I444 WeakPolarHBondContact O-CG1 3.37Å; I440-I444 PolarHBondContact O-N 3.01Å |
| 441 | K | 63.1 | Low | 57.5 | Low | 127 Ų | 127 | 117.2 Ų | 117.2 | 55% | 0.552 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -60 | -40.5 | 175.4 | -77.3 | 175.5 | -176.7 | 167.3 | 0 | 112.3 | I437 K445 | I437-K441 HydrophobicContact CG2-CD 4.31Å; I437-K441 WeakPolarHBondContact O-CG 2.93Å; I437-K441 PolarHBondContact O-N 2.9Å; K441-K445 WeakPolarHBondContact O-CB 3.34Å; K441-K445 PolarHBondContact O-N 3.25Å |
| 442 | K | 68.9 | Low | 58.1 | Low | 169 Ų | 169 | 120.4 Ų | 120.4 | 74% | 0.735 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -70.1 | -34.9 | 178.6 | -141.3 | 171.9 | -169.8 | 171.4 | 0 | 112.3 | D438 R439 I440 K446 | D438-K442 WeakPolarHBondContact O-CB 3.25Å; D438-K442 PolarHBondContact O-N 3.01Å; R439-K442 PolarHBondContact O-N 3.44Å; I440-K442 VanDerWaalsContact C-N 3.31Å; I440-K442 PolarHBondContact O-N 3.2Å; K442-K446 WeakPolarHBondContact O-CB 2.97Å; K442-K446 PolarHBondContact O-N 3.43Å; K442-K446 VanDerWaalsContact O-N 3.11Å |
| 443 | A | 64.1 | Low | 58.3 | Low | 61 Ų | 61 | 126 Ų | 126 | 50% | 0.504 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.6 | -43.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | R439 I440 K446 D447 | R439-A443 WeakPolarHBondContact O-CB 3.37Å; R439-A443 PolarHBondContact O-N 3.01Å; I440-A443 PolarHBondContact O-N 3.41Å; A443-K446 PolarHBondContact O-N 2.86Å; A443-D447 PolarHBondContact O-N 2.8Å |
| 444 | I | 67.1 | Low | 58.4 | Low | 97 Ų | 97 | 129.9 Ų | 129.9 | 50% | 0.497 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -64.6 | -42.3 | 177.2 | -67.1 | 167.4 | 0 | 0 | 0 | 110.9 | I440 K446 D447 L448 | I440-I444 HydrophobicContact CG2-CD1 3.77Å; I440-I444 HydrophobicContact CG2-CG1 4.46Å; I440-I444 VanDerWaalsContact O-CG1 3.32Å; I440-I444 WeakPolarHBondContact O-CG1 3.37Å; I440-I444 PolarHBondContact O-N 3.01Å; I444-K446 VanDerWaalsContact C-N 3.31Å; I444-K446 PolarHBondContact O-N 3.37Å; I444-D447 PolarHBondContact O-N 3.19Å; I444-L448 HydrophobicContact CG2-CD1 4.01Å; I444-L448 PolarHBondContact O-N 3.25Å; I444-L448 VanDerWaalsContact O-N 3.08Å |
| 445 | K | 65.5 | Low | 59.1 | Low | 132 Ų | 132 | 128.1 Ų | 128.1 | 57% | 0.574 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -62.6 | -39 | 176.7 | -172.7 | 173.8 | 178.5 | -179.8 | 0 | 112.2 | K441 L448 E449 | K441-K445 WeakPolarHBondContact O-CB 3.34Å; K441-K445 PolarHBondContact O-N 3.25Å; K445-L448 PolarHBondContact O-N 2.96Å; K445-E449 WeakPolarHBondContact CE-OE1 3.18Å; K445-E449 WeakPolarHBondContact O-CG 3.29Å; K445-E449 PolarHBondContact O-N 3.31Å |
| 446 | K | 64.5 | Low | 59.6 | Low | 157 Ų | 157 | 130.4 Ų | 130.4 | 68% | 0.683 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -70.1 | -32 | 178.4 | -166.8 | 178.4 | -179.8 | -177.3 | 0 | 112.9 | K442 A443 I444 S450 | K442-K446 WeakPolarHBondContact O-CB 2.97Å; K442-K446 PolarHBondContact O-N 3.43Å; K442-K446 VanDerWaalsContact O-N 3.11Å; A443-K446 PolarHBondContact O-N 2.86Å; I444-K446 VanDerWaalsContact C-N 3.31Å; I444-K446 PolarHBondContact O-N 3.37Å; K446-S450 WeakPolarHBondContact O-CB 3.29Å; K446-S450 PolarHBondContact O-N 3.36Å; K446-S450 VanDerWaalsContact O-N 3.15Å; K446-S450 PolarHBondContact O-OG 2.74Å |
| 447 | D | 61.2 | Low | 60.1 | Low | 87 Ų | 87 | 130.7 Ų | 130.7 | 47% | 0.465 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -77.1 | -26.4 | 176.7 | -156.7 | 60.5 | 0 | 0 | 0 | 113 | A443 I444 S450 R451 | A443-D447 PolarHBondContact O-N 2.8Å; I444-D447 PolarHBondContact O-N 3.19Å; D447-S450 WeakPolarHBondContact CA-OG 3.31Å; D447-S450 PolarHBondContact O-OG 3.31Å; D447-S450 VanDerWaalsContact O-OG 3.05Å; D447-R451 IonicContact OD2-NH1 3.35Å; D447-R451 PolarHBondContact OD2-NH1 3.35Å |
| 448 | L | 54.6 | Low | 60.5 | Low | 117 Ų | 117 | 132.9 Ų | 132.9 | 61% | 0.613 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -74.3 | -42.2 | 171.1 | -82.2 | 158.9 | 0 | 0 | 0 | 111.8 | I444 K445 S450 R451 | I444-L448 HydrophobicContact CG2-CD1 4.01Å; I444-L448 PolarHBondContact O-N 3.25Å; I444-L448 VanDerWaalsContact O-N 3.08Å; K445-L448 PolarHBondContact O-N 2.96Å; L448-S450 VanDerWaalsContact C-N 3.32Å; L448-S450 PolarHBondContact O-N 2.94Å; L448-R451 PolarHBondContact O-N 3.42Å |
| 449 | E | 63.2 | Low | 60.5 | Low | 117 Ų | 117 | 134.8 Ų | 134.8 | 55% | 0.547 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -70 | -26.7 | 177.6 | -73.6 | 174.1 | -175.7 | 0 | 0 | 112.7 | K445 | K445-E449 WeakPolarHBondContact CE-OE1 3.18Å; K445-E449 WeakPolarHBondContact O-CG 3.29Å; K445-E449 PolarHBondContact O-N 3.31Å |
| 450 | S | 55.7 | Low | 60.2 | Low | 67 Ų | 67 | 132.3 Ų | 132.3 | 47% | 0.469 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -79.8 | -17.4 | 175.9 | 64.3 | 0 | 0 | 0 | 0 | 113.9 | K446 D447 L448 | K446-S450 WeakPolarHBondContact O-CB 3.29Å; K446-S450 PolarHBondContact O-N 3.36Å; K446-S450 VanDerWaalsContact O-N 3.15Å; K446-S450 PolarHBondContact O-OG 2.74Å; D447-S450 WeakPolarHBondContact CA-OG 3.31Å; D447-S450 PolarHBondContact O-OG 3.31Å; D447-S450 VanDerWaalsContact O-OG 3.05Å; L448-S450 VanDerWaalsContact C-N 3.32Å; L448-S450 PolarHBondContact O-N 2.94Å |
| 451 | R | 56.4 | Low | 59.8 | Low | 190 Ų | 190 | 135.4 Ų | 135.4 | 72% | 0.717 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -89.2 | -7.7 | 178 | -87.2 | 172.8 | 138.5 | 148.9 | -8.5 | 114.4 | D447 L448 | D447-R451 IonicContact OD2-NH1 3.35Å; D447-R451 PolarHBondContact OD2-NH1 3.35Å; L448-R451 PolarHBondContact O-N 3.42Å |
| 452 | E | 53.9 | Low | 59.6 | Low | 160 Ų | 160 | 136 Ų | 136 | 75% | 0.748 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -90.4 | 0 | 177.4 | -116.2 | -175.6 | 169.7 | 0 | 0 | 114.2 | ||
| 453 | Y | 53 | Low | 58.8 | Low | 210 Ų | 210 | 133.3 Ų | 133.3 | 82% | 0.824 | 66% | 0.656 | S | S | * | * | trans | -134.3 | 59.8 | 175.3 | -75.3 | -87.8 | 0 | 0 | 0 | 112.4 | ||||
| 454 | V | 46.6 | Very low | 58.3 | Low | 204 Ų | 204 | 139.8 Ų | 139.8 | 100% | 1.236 | 67% | 0.67 | S | S | * | * | trans | -136.4 | 0 | 154.3 | 179.8 | 0 | 0 | 0 | 0 | 109.5 |
Retrieved 454 of 454 residues in 104.6 ms
(Link to these results)