| 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 | 38.6 | Very low | 41 | Very low | 248 Ų | 248 | 151.4 Ų | 151.4 | 100% | 1.222 | 81% | 0.808 | S | S | * | * | 0 | 140.2 | 0 | -75.7 | -172.7 | 168.1 | 0 | 0 | 108 | |||||
| 2 | S | 39.3 | Very low | 41.3 | Very low | 101 Ų | 101 | 149.4 Ų | 149.4 | 71% | 0.706 | 81% | 0.81 | S | S | * | * | trans | -83.4 | 161.6 | -153.6 | -33.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 3 | E | 40 | Very low | 41 | Very low | 188 Ų | 188 | 152.4 Ų | 152.4 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | trans | 46.5 | 154.9 | 140.3 | -70 | 170.8 | 137.9 | 0 | 0 | 120.9 | ||||
| 4 | A | 45 | Very low | 41.1 | Very low | 74 Ų | 74 | 151.1 Ų | 151.1 | 61% | 0.612 | 80% | 0.802 | S | S | * | * | cis | 175.3 | 171.1 | -14.2 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 5 | L | 47.9 | Very low | 41.7 | Very low | 154 Ų | 154 | 149.3 Ų | 149.3 | 81% | 0.806 | 80% | 0.801 | S | S | * | * | trans | 84.6 | 104.7 | 163.9 | -67.5 | 130.2 | 0 | 0 | 0 | 118.1 | ||||
| 6 | Y | 39.7 | Very low | 41.3 | Very low | 231 Ų | 231 | 150.6 Ų | 150.6 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | 66.6 | 132 | 84.4 | -91.7 | -94.5 | 0 | 0 | 0 | 113 | |||||
| 7 | G | 37.4 | Very low | 42.1 | Very low | 62 Ų | 62 | 147.8 Ų | 147.8 | 64% | 0.639 | 79% | 0.79 | S | S | * | * | cis | -165.9 | 145.5 | 3.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 8 | K | 44.5 | Very low | 41.8 | Very low | 197 Ų | 197 | 147.8 Ų | 147.8 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | 41.5 | 139.5 | 97.1 | -80.4 | -174.1 | 175.5 | -179.3 | 0 | 116.8 | |||||
| 9 | F | 35.4 | Very low | 41.3 | Very low | 180 Ų | 180 | 147.6 Ų | 147.6 | 79% | 0.789 | 79% | 0.788 | S | S | * | * | trans | 119.2 | 93.4 | 158.2 | -79.5 | -93.1 | 0 | 0 | 0 | 113.1 | ||||
| 10 | L | 37.2 | Very low | 40.8 | Very low | 143 Ų | 143 | 145.8 Ų | 145.8 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | 88.5 | 118.3 | 77.4 | -94.2 | 148.6 | 0 | 0 | 0 | 112.2 | |||||
| 11 | A | 46.3 | Very low | 40.5 | Very low | 87 Ų | 87 | 147.7 Ų | 147.7 | 72% | 0.719 | 79% | 0.791 | S | S | * | * | trans | -58.9 | 161.6 | 154.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 12 | P | 44.1 | Very low | 40.1 | Very low | 128 Ų | 128 | 147.7 Ų | 147.7 | 83% | 0.831 | 78% | 0.777 | S | S | * | * | trans | -123 | 146.3 | 144.7 | -0.3 | 22.1 | 0 | 0 | 0 | 114.2 | ||||
| 13 | E | 38 | Very low | 39.6 | Very low | 188 Ų | 188 | 146.3 Ų | 146.3 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | trans | -57.8 | 164.1 | 174.8 | -102.5 | -156.6 | 150.2 | 0 | 0 | 117.5 | ||||
| 14 | E | 41.4 | Very low | 39.5 | Very low | 135 Ų | 135 | 144.6 Ų | 144.6 | 63% | 0.631 | 78% | 0.776 | S | S | * | * | trans | -39.2 | 160.9 | 155.6 | -123.5 | -179.8 | 165.6 | 0 | 0 | 115.7 | F16 | E14-F16 WeakPolarHBondContact OE1-CD2 3.2Å; E14-F16 WeakPolarHBondContact OE1-CE2 3.32Å | ||
| 15 | P | 50.3 | Low | 38.9 | Very low | 123 Ų | 123 | 150.8 Ų | 150.8 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | -153.1 | 161.8 | 77.8 | 35.8 | -13.7 | 0 | 0 | 0 | 117.8 | |||||
| 16 | F | 35 | Very low | 38.1 | Very low | 170 Ų | 170 | 148 Ų | 148 | 75% | 0.746 | 78% | 0.783 | S | S | * | * | trans | -65.4 | -176.3 | 162.7 | -78.8 | -84.8 | 0 | 0 | 0 | 113.2 | E14 | E14-F16 WeakPolarHBondContact OE1-CD2 3.2Å; E14-F16 WeakPolarHBondContact OE1-CE2 3.32Å | ||
| 17 | P | 56.3 | Low | 37.8 | Very low | 103 Ų | 103 | 145.4 Ų | 145.4 | 67% | 0.669 | 78% | 0.779 | S | S | * | * | cis | -136.2 | -161 | -11.3 | 26.9 | -0.4 | 0 | 0 | 0 | 114.2 | ||||
| 18 | L | 35.2 | Very low | 37.7 | Very low | 148 Ų | 148 | 147.1 Ų | 147.1 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | trans | 97.7 | 133.4 | 163.3 | -54.8 | -178.4 | 0 | 0 | 0 | 114.8 | ||||
| 19 | L | 34 | Very low | 37.3 | Very low | 145 Ų | 145 | 140.8 Ų | 140.8 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | cis | -170.8 | 156.8 | 16.7 | -109.7 | 160.6 | 0 | 0 | 0 | 109.4 | ||||
| 20 | S | 29.6 | Very low | 37.5 | Very low | 110 Ų | 110 | 138.9 Ų | 138.9 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | 63.6 | 132.3 | 154.5 | -78.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 21 | Q | 35.2 | Very low | 37.6 | Very low | 186 Ų | 186 | 140.1 Ų | 140.1 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | cis | -159 | 130.4 | 43.6 | -170.2 | 171.6 | 3.9 | 0 | 0 | 112.6 | ||||
| 22 | R | 31.1 | Very low | 37 | Very low | 248 Ų | 248 | 142.5 Ų | 142.5 | 94% | 0.936 | 79% | 0.788 | S | S | * | * | trans | -40 | 145.1 | 162 | 179.8 | -175.6 | -173.6 | -174.2 | 2.2 | 116 | ||||
| 23 | G | 29 | Very low | 36.6 | Very low | 73 Ų | 73 | 142.7 Ų | 142.7 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | trans | 163.2 | 80.4 | 153.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 24 | N | 36.9 | Very low | 36.5 | Very low | 151 Ų | 151 | 138.1 Ų | 138.1 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | trans | -64.3 | 149.7 | 148.8 | -76.5 | -24.7 | 0 | 0 | 0 | 109.2 | ||||
| 25 | F | 32.6 | Very low | 36.2 | Very low | 205 Ų | 205 | 138.1 Ų | 138.1 | 90% | 0.899 | 78% | 0.78 | S | S | * | * | trans | 172.1 | 136.2 | 135 | -84.1 | -60 | 0 | 0 | 0 | 112.3 | ||||
| 26 | S | 31.9 | Very low | 35.3 | Very low | 96 Ų | 96 | 142 Ų | 142 | 67% | 0.671 | 79% | 0.785 | S | S | * | * | trans | 40.4 | 125.1 | 144.1 | -91.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 27 | E | 32.4 | Very low | 35.2 | Very low | 175 Ų | 175 | 136.5 Ų | 136.5 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | 86.5 | 123.8 | 78.5 | -169.2 | -179.1 | 178.5 | 0 | 0 | 113.8 | |||||
| 28 | A | 36.4 | Very low | 34 | Very low | 98 Ų | 98 | 141.4 Ų | 141.4 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | 41.3 | 131.3 | 153.9 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 29 | G | 34.8 | Very low | 34.1 | Very low | 64 Ų | 64 | 143 Ų | 143 | 66% | 0.66 | 79% | 0.791 | S | S | * | * | trans | 159.1 | 89.4 | 157.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 30 | T | 39.2 | Very low | 34 | Very low | 140 Ų | 140 | 144.1 Ų | 144.1 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | 35.9 | 93.1 | 91.9 | 72.1 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 31 | L | 39.6 | Very low | 34.2 | Very low | 170 Ų | 170 | 143.5 Ų | 143.5 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | trans | -147.4 | 107.3 | 148.5 | -90.9 | 179.2 | 0 | 0 | 0 | 110.1 | ||||
| 32 | D | 33.8 | Very low | 34.1 | Very low | 136 Ų | 136 | 139.4 Ų | 139.4 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -71.3 | 124.7 | 154.9 | 167.5 | 31.7 | 0 | 0 | 0 | 108.3 | ||||
| 33 | V | 35.2 | Very low | 34.3 | Very low | 133 Ų | 133 | 133.4 Ų | 133.4 | 81% | 0.806 | 78% | 0.779 | S | S | * | * | trans | -143.5 | 124.2 | 150.5 | 169.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 34 | S | 37.6 | Very low | 34.8 | Very low | 91 Ų | 91 | 138.4 Ų | 138.4 | 64% | 0.636 | 78% | 0.782 | S | S | * | * | trans | -69.1 | 171.1 | -177.9 | -45.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 35 | D | 33.5 | Very low | 34.6 | Very low | 136 Ų | 136 | 142.7 Ų | 142.7 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | 97.5 | 90.5 | 138.9 | -145.6 | 12.3 | 0 | 0 | 0 | 118.4 | G37 | D35-G37 PolarHBondContact OD1-N 3.23Š| ||
| 36 | F | 32.5 | Very low | 35 | Very low | 203 Ų | 203 | 139.2 Ų | 139.2 | 89% | 0.89 | 78% | 0.783 | S | S | * | * | trans | -134 | 82.7 | 133.4 | -100.9 | -82.8 | 0 | 0 | 0 | 108 | ||||
| 37 | G | 32 | Very low | 35.1 | Very low | 55 Ų | 55 | 142 Ų | 142 | 57% | 0.567 | 79% | 0.791 | S | S | * | * | trans | -69.7 | 131.5 | 160.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | D35 | D35-G37 PolarHBondContact OD1-N 3.23Š| ||
| 38 | F | 31.7 | Very low | 35.7 | Very low | 207 Ų | 207 | 138.6 Ų | 138.6 | 91% | 0.908 | 78% | 0.784 | S | S | * | * | trans | -124.6 | 128.4 | 146.2 | -108 | -84.2 | 0 | 0 | 0 | 109.6 | ||||
| 39 | Q | 36.5 | Very low | 36 | Very low | 180 Ų | 180 | 141.2 Ų | 141.2 | 84% | 0.841 | 78% | 0.783 | S | S | * | * | trans | -99.7 | 122.9 | -159.4 | -165.7 | 167.2 | 15.3 | 0 | 0 | 108.1 | ||||
| 40 | L | 33.1 | Very low | 36.2 | Very low | 169 Ų | 169 | 150.2 Ų | 150.2 | 89% | 0.885 | 80% | 0.797 | S | S | * | * | trans | -121.5 | 94.7 | 163 | -75.3 | 176.8 | 0 | 0 | 0 | 109.7 | ||||
| 41 | S | 33.9 | Very low | 36.1 | Very low | 97 Ų | 97 | 153.6 Ų | 153.6 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | trans | 13.7 | 110.1 | 149.2 | 55.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 42 | S | 32.5 | Very low | 35.8 | Very low | 101 Ų | 101 | 154.2 Ų | 154.2 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | -60.7 | 124.3 | 151.6 | 148.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 43 | C | 36.1 | Very low | 36 | Very low | 122 Ų | 122 | 155.6 Ų | 155.6 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | trans | -123.8 | 102.6 | 155.3 | 44.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 44 | H | 37.8 | Very low | 35.8 | Very low | 177 Ų | 177 | 155.1 Ų | 155.1 | 82% | 0.819 | 79% | 0.794 | S | S | * | * | trans | -86.2 | 125.1 | 164.6 | -74.9 | -65.3 | 0 | 0 | 0 | 109.7 | ||||
| 45 | R | 33.3 | Very low | 35.7 | Very low | 241 Ų | 241 | 158 Ų | 158 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | trans | -153.8 | 98.6 | 148.5 | -116 | 179.3 | 168.5 | -174.8 | -4 | 110.7 | ||||
| 46 | T | 41.9 | Very low | 35.7 | Very low | 133 Ų | 133 | 161.1 Ų | 161.1 | 82% | 0.816 | 80% | 0.804 | S | S | * | * | trans | 13.7 | 121.2 | 153.4 | 58.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 47 | D | 32.4 | Very low | 36.1 | Very low | 154 Ų | 154 | 159.8 Ų | 159.8 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | -156.6 | 118.8 | 129 | -165.5 | 4.6 | 0 | 0 | 0 | 110.3 | |||||
| 48 | P | 45.2 | Very low | 36.4 | Very low | 104 Ų | 104 | 164.5 Ų | 164.5 | 68% | 0.675 | 81% | 0.805 | S | S | * | * | trans | -97.8 | 107.3 | 177.9 | 33.6 | -22.4 | 0 | 0 | 0 | 109.7 | ||||
| 49 | L | 43.8 | Very low | 36.9 | Very low | 152 Ų | 152 | 161.7 Ų | 161.7 | 80% | 0.796 | 80% | 0.799 | S | S | * | * | trans | 166.2 | 100.8 | 147.2 | -90.2 | 156.7 | 0 | 0 | 0 | 108.7 | ||||
| 50 | R | 38.7 | Very low | 37 | Very low | 254 Ų | 254 | 159.8 Ų | 159.8 | 96% | 0.958 | 80% | 0.8 | S | S | * | * | -169.3 | 121.2 | 126.7 | -79.2 | -131.2 | 170.2 | -120.1 | -5.8 | 110 | |||||
| 51 | R | 36.9 | Very low | 37.2 | Very low | 211 Ų | 211 | 156.5 Ų | 156.5 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | trans | -69 | 139.3 | -179.3 | -88.4 | -178.9 | -167.1 | 107.9 | 1.8 | 112.4 | ||||
| 52 | F | 34.5 | Very low | 37.6 | Very low | 183 Ų | 183 | 158 Ų | 158 | 80% | 0.803 | 80% | 0.801 | S | S | * | * | trans | 51.9 | 102.7 | 143.7 | -66.6 | -71.9 | 0 | 0 | 0 | 120.1 | ||||
| 53 | H | 37.1 | Very low | 38.4 | Very low | 165 Ų | 165 | 156.8 Ų | 156.8 | 76% | 0.764 | 80% | 0.804 | S | S | * | * | -169.7 | 115.9 | 111.8 | 41.8 | 46.5 | 0 | 0 | 0 | 110.1 | N55 | H53-N55 PolarHBondContact O-N 3.48Š| |||
| 54 | S | 31.5 | Very low | 38.6 | Very low | 122 Ų | 122 | 157.9 Ų | 157.9 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | trans | -67.6 | 113.9 | 172.7 | -66.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 55 | N | 35.8 | Very low | 38.6 | Very low | 151 Ų | 151 | 155.2 Ų | 155.2 | 81% | 0.807 | 81% | 0.808 | S | S | * | * | trans | -79.9 | 120.3 | 159.1 | -73.6 | -48.7 | 0 | 0 | 0 | 108.1 | H53 | H53-N55 PolarHBondContact O-N 3.48Š| ||
| 56 | R | 32 | Very low | 39.1 | Very low | 202 Ų | 202 | 150.5 Ų | 150.5 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | trans | -137.8 | 109.1 | 170.1 | -118.6 | -157.8 | -158.4 | -111.2 | -10.8 | 109.3 | ||||
| 57 | W | 40.9 | Very low | 38.8 | Very low | 176 Ų | 176 | 149.1 Ų | 149.1 | 67% | 0.667 | 81% | 0.808 | S | S | * | * | trans | 68.2 | 120.7 | 160.3 | -48 | 91.5 | 0 | 0 | 0 | 117 | ||||
| 58 | N | 38.8 | Very low | 39.1 | Very low | 153 Ų | 153 | 147.2 Ų | 147.2 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | -167.1 | 123.4 | 99.9 | -80.4 | -40.2 | 0 | 0 | 0 | 111.3 | |||||
| 59 | L | 42.1 | Very low | 38.9 | Very low | 148 Ų | 148 | 147.4 Ų | 147.4 | 78% | 0.775 | 81% | 0.81 | S | S | * | * | trans | -65.6 | 130.7 | 153 | -72.3 | 113.1 | 0 | 0 | 0 | 108.3 | ||||
| 60 | T | 39.1 | Very low | 38.5 | Very low | 140 Ų | 140 | 149 Ų | 149 | 86% | 0.859 | 81% | 0.813 | S | S | * | * | trans | -145.3 | 107.4 | 144.9 | 42.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 61 | S | 37.8 | Very low | 38.3 | Very low | 100 Ų | 100 | 142.5 Ų | 142.5 | 70% | 0.699 | 81% | 0.806 | S | S | * | * | trans | -77.2 | 147.2 | 170.5 | 50 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 62 | C | 41.6 | Very low | 38.3 | Very low | 130 Ų | 130 | 137.6 Ų | 137.6 | 88% | 0.878 | 80% | 0.804 | S | S | * | * | trans | 81.4 | 116.5 | 153.8 | -54 | 0 | 0 | 0 | 0 | 120 | ||||
| 63 | G | 48.2 | Very low | 38.7 | Very low | 75 Ų | 75 | 137.2 Ų | 137.2 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | 120.1 | 75.2 | 132.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 64 | T | 40.3 | Very low | 38.8 | Very low | 144 Ų | 144 | 138 Ų | 138 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -136.1 | 113.5 | 152.1 | 57 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 65 | S | 38.2 | Very low | 39.4 | Very low | 121 Ų | 121 | 140.1 Ų | 140.1 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | trans | -62.7 | 149 | 176.5 | -29 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 66 | V | 44.4 | Very low | 39.6 | Very low | 143 Ų | 143 | 142.5 Ų | 142.5 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | trans | -63 | 133.7 | 169.3 | -111.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 67 | A | 35.3 | Very low | 39.8 | Very low | 104 Ų | 104 | 138.8 Ų | 138.8 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | trans | -137.1 | 110.7 | 153.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 68 | S | 38.8 | Very low | 39.8 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 79% | 0.79 | 83% | 0.827 | S | S | * | * | trans | -69 | 149.4 | -176.6 | -66.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 69 | S | 40.6 | Very low | 39.7 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 76% | 0.755 | 83% | 0.829 | S | S | * | * | trans | -77.4 | 126.9 | 169.4 | 178.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 70 | E | 35.9 | Very low | 39.8 | Very low | 185 Ų | 185 | 134 Ų | 134 | 86% | 0.864 | 83% | 0.83 | S | S | * | * | trans | -98.7 | 109 | 157.6 | 54 | -167.9 | 96.3 | 0 | 0 | 108.4 | ||||
| 71 | C | 34.4 | Very low | 39.9 | Very low | 119 Ų | 119 | 134 Ų | 134 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | trans | -85 | 125.5 | 162.8 | -91.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 72 | S | 37.9 | Very low | 39.6 | Very low | 108 Ų | 108 | 132.4 Ų | 132.4 | 76% | 0.755 | 83% | 0.828 | S | S | * | * | trans | -120 | 139.4 | 158.7 | 52.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 73 | E | 42 | Very low | 39.5 | Very low | 174 Ų | 174 | 133 Ų | 133 | 81% | 0.813 | 82% | 0.823 | S | S | * | * | trans | -129.5 | 82 | -154 | 43 | 170.1 | 156.7 | 0 | 0 | 108.8 | ||||
| 74 | E | 40.1 | Very low | 39 | Very low | 181 Ų | 181 | 137 Ų | 137 | 85% | 0.846 | 82% | 0.821 | S | S | * | * | trans | -121.9 | 90.1 | -172.9 | -53.3 | -152.5 | -171.2 | 0 | 0 | 112.2 | ||||
| 75 | L | 43.3 | Very low | 38.7 | Very low | 167 Ų | 167 | 136.2 Ų | 136.2 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | trans | 27.6 | 124.3 | 137.1 | -73 | 155.8 | 0 | 0 | 0 | 119.3 | S77 | L75-S77 PolarHBondContact O-N 2.86Š| ||
| 76 | F | 40.2 | Very low | 38.7 | Very low | 201 Ų | 201 | 137.2 Ų | 137.2 | 88% | 0.882 | 80% | 0.803 | S | S | * | * | trans | -53.8 | 130 | 156.3 | -75.1 | -96.6 | 0 | 0 | 0 | 111.5 | ||||
| 77 | S | 35.7 | Very low | 38.3 | Very low | 124 Ų | 124 | 135.2 Ų | 135.2 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | trans | -150.6 | 111.9 | 148.7 | -87.8 | 0 | 0 | 0 | 0 | 111.1 | L75 | L75-S77 PolarHBondContact O-N 2.86Š| ||
| 78 | S | 42.1 | Very low | 38.3 | Very low | 122 Ų | 122 | 140.6 Ų | 140.6 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | -72.5 | 134.7 | 169 | -43.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 79 | V | 35.3 | Very low | 38.5 | Very low | 142 Ų | 142 | 140.3 Ų | 140.3 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | trans | -143.8 | 135.5 | 153.8 | 71 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 80 | S | 44.2 | Very low | 38.4 | Very low | 114 Ų | 114 | 142.3 Ų | 142.3 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | -112.7 | 124.9 | -175.8 | 146.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 81 | V | 41.1 | Very low | 38.7 | Very low | 139 Ų | 139 | 140.7 Ų | 140.7 | 84% | 0.842 | 79% | 0.79 | S | S | * | * | trans | -160.5 | 131 | 157.4 | -167.5 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 82 | G | 32.8 | Very low | 38.7 | Very low | 66 Ų | 66 | 142 Ų | 142 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | cis | 115.5 | 98.1 | 29.9 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 83 | D | 39.2 | Very low | 39 | Very low | 143 Ų | 143 | 143.4 Ų | 143.4 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | trans | 32.8 | 147.6 | 144.6 | -150.5 | 26.1 | 0 | 0 | 0 | 124.1 | ||||
| 84 | Q | 36.8 | Very low | 38.7 | Very low | 158 Ų | 158 | 144 Ų | 144 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | trans | 90.8 | 145.3 | 147.1 | -156.4 | 126.7 | 80.9 | 0 | 0 | 121 | ||||
| 85 | E | 34.9 | Very low | 38.7 | Very low | 128 Ų | 128 | 143.1 Ų | 143.1 | 60% | 0.598 | 79% | 0.787 | S | S | * | * | trans | -101.4 | 178.1 | -149 | 39.5 | -109 | 110.4 | 0 | 0 | 117.5 | ||||
| 86 | D | 38.9 | Very low | 38.1 | Very low | 142 Ų | 142 | 143.1 Ų | 143.1 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | trans | 91.8 | 122.5 | 149.8 | -69.3 | -37 | 0 | 0 | 0 | 122.3 | ||||
| 87 | C | 34.8 | Very low | 37.7 | Very low | 102 Ų | 102 | 138.9 Ų | 138.9 | 69% | 0.689 | 77% | 0.771 | S | S | * | * | 101.2 | 122 | 123.9 | -85.9 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 88 | Y | 36.1 | Very low | 37.6 | Very low | 217 Ų | 217 | 137.9 Ų | 137.9 | 85% | 0.851 | 76% | 0.764 | S | S | * | * | trans | 87.4 | 115.4 | 144.6 | -84.2 | -94.1 | 0 | 0 | 0 | 122.7 | ||||
| 89 | S | 42.4 | Very low | 37.2 | Very low | 106 Ų | 106 | 141.5 Ų | 141.5 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | trans | -47.2 | 147.2 | 156.4 | -36 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 90 | L | 38.8 | Very low | 37.4 | Very low | 150 Ų | 150 | 142 Ų | 142 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | 175.1 | 154.6 | 123 | -132.6 | 122 | 0 | 0 | 0 | 112.1 | |||||
| 91 | L | 41.4 | Very low | 37.1 | Very low | 152 Ų | 152 | 143.4 Ų | 143.4 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | trans | 93.8 | 99.3 | 167.7 | -54.5 | 164.4 | 0 | 0 | 0 | 113.7 | ||||
| 92 | D | 34.8 | Very low | 36.9 | Very low | 145 Ų | 145 | 144.4 Ų | 144.4 | 78% | 0.775 | 75% | 0.754 | S | S | * | * | 68.4 | 134.1 | 54 | -151.4 | 80.1 | 0 | 0 | 0 | 113.5 | |||||
| 93 | D | 44.2 | Very low | 37.8 | Very low | 139 Ų | 139 | 147.1 Ų | 147.1 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | trans | -59.5 | 139.1 | -157.9 | -60.6 | -67.7 | 0 | 0 | 0 | 115.9 | ||||
| 94 | Q | 36.5 | Very low | 37.6 | Very low | 186 Ų | 186 | 149 Ų | 149 | 87% | 0.869 | 76% | 0.763 | S | S | * | * | trans | -161.7 | 103.3 | 147.4 | -161.6 | 76.9 | 70.1 | 0 | 0 | 111.3 | ||||
| 95 | E | 39.4 | Very low | 37.4 | Very low | 162 Ų | 162 | 144.6 Ų | 144.6 | 76% | 0.757 | 76% | 0.761 | S | S | * | * | trans | -57.8 | 130.4 | 158.1 | -168.4 | 176.9 | -160.6 | 0 | 0 | 109.7 | ||||
| 96 | F | 30.9 | Very low | 37.6 | Very low | 167 Ų | 167 | 143.7 Ų | 143.7 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | trans | 170 | 119.1 | 132.5 | -105.9 | -92.6 | 0 | 0 | 0 | 111.5 | ||||
| 97 | T | 31.8 | Very low | 37.5 | Very low | 112 Ų | 112 | 144 Ų | 144 | 69% | 0.687 | 78% | 0.775 | S | S | * | * | trans | 53.5 | 119 | 143 | 59.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 98 | S | 34.4 | Very low | 37.7 | Very low | 103 Ų | 103 | 144 Ų | 144 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | 179 | 124.6 | 120 | -86.9 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 99 | F | 32.8 | Very low | 37.7 | Very low | 198 Ų | 198 | 139.1 Ų | 139.1 | 87% | 0.868 | 77% | 0.773 | S | S | * | * | trans | 74.6 | 104.7 | 145.6 | -78.3 | -90.6 | 0 | 0 | 0 | 120.7 | ||||
| 100 | D | 40.2 | Very low | 37.6 | Very low | 154 Ų | 154 | 141.7 Ų | 141.7 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | trans | -36.8 | 124.2 | 150.1 | -132.6 | -16.6 | 0 | 0 | 0 | 113.4 | ||||
| 101 | L | 38 | Very low | 37.8 | Very low | 143 Ų | 143 | 140.4 Ų | 140.4 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | -152.8 | 105.1 | 160.4 | -154.6 | 68.3 | 0 | 0 | 0 | 110.8 | ||||
| 102 | F | 36.9 | Very low | 37.5 | Very low | 159 Ų | 159 | 138.1 Ų | 138.1 | 70% | 0.697 | 77% | 0.773 | S | S | * | * | trans | 83.5 | 122.5 | 171.1 | -61.7 | -72.4 | 0 | 0 | 0 | 119.4 | ||||
| 103 | P | 49.8 | Very low | 37.5 | Very low | 123 Ų | 123 | 137.4 Ų | 137.4 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | trans | -87.2 | 101.3 | 158.8 | 31.6 | -23.3 | 0 | 0 | 0 | 109.5 | ||||
| 104 | E | 35.7 | Very low | 37.5 | Very low | 182 Ų | 182 | 136.7 Ų | 136.7 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | trans | -151.6 | 125.5 | 173.7 | -148.7 | 82.7 | -140.5 | 0 | 0 | 109.7 | ||||
| 105 | G | 33.6 | Very low | 37.5 | Very low | 67 Ų | 67 | 134.6 Ų | 134.6 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | trans | 135.8 | 95 | 159.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 106 | S | 38.3 | Very low | 37.3 | Very low | 109 Ų | 109 | 133.1 Ų | 133.1 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | 49.4 | 90.6 | 121.8 | 172.5 | 0 | 0 | 0 | 0 | 117.9 | C108 | S106-C108 PolarHBondContact O-N 3.22Š| |||
| 107 | V | 37.7 | Very low | 37.5 | Very low | 148 Ų | 148 | 128.5 Ų | 128.5 | 90% | 0.897 | 77% | 0.772 | S | S | * | * | trans | -92.7 | 78.7 | 155.2 | -74 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 108 | C | 37.4 | Very low | 37.7 | Very low | 103 Ų | 103 | 131.7 Ų | 131.7 | 70% | 0.696 | 77% | 0.773 | S | S | * | * | trans | -102.8 | 112 | 156.4 | -73.7 | 0 | 0 | 0 | 0 | 107.5 | S106 D110 | S106-C108 PolarHBondContact O-N 3.22Å; C108-D110 PolarHBondContact O-N 3.28Å; C108-D110 VanDerWaalsContact O-N 3.1Å | ||
| 109 | S | 37.2 | Very low | 38.3 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | -74.3 | 90.9 | 175.6 | -54.6 | 0 | 0 | 0 | 0 | 110.3 | V111 | S109-V111 PolarHBondContact O-N 3.05Š| ||
| 110 | D | 39.2 | Very low | 38.5 | Very low | 160 Ų | 160 | 131.7 Ų | 131.7 | 86% | 0.856 | 76% | 0.758 | S | S | * | * | trans | -80.7 | 91.3 | 163.5 | -77.4 | -41.5 | 0 | 0 | 0 | 109.4 | C108 | C108-D110 PolarHBondContact O-N 3.28Å; C108-D110 VanDerWaalsContact O-N 3.1Å | ||
| 111 | V | 42.8 | Very low | 38.9 | Very low | 122 Ų | 122 | 134.8 Ų | 134.8 | 74% | 0.739 | 76% | 0.759 | S | S | * | * | trans | -108.6 | 110.8 | 165.6 | -178.6 | 0 | 0 | 0 | 0 | 108.6 | S109 | S109-V111 PolarHBondContact O-N 3.05Š| ||
| 112 | S | 36 | Very low | 38.9 | Very low | 104 Ų | 104 | 133.2 Ų | 133.2 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | trans | 66.6 | 101.4 | 152.5 | -62.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 113 | S | 35.6 | Very low | 38.5 | Very low | 130 Ų | 130 | 131.6 Ų | 131.6 | 91% | 0.909 | 76% | 0.758 | S | S | * | * | trans | -143.4 | 63.4 | 143.9 | -78.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 114 | S | 43.3 | Very low | 38.3 | Very low | 124 Ų | 124 | 131.6 Ų | 131.6 | 87% | 0.867 | 76% | 0.761 | S | S | * | * | trans | -121.4 | 76.4 | 164.5 | -67.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 115 | I | 36.3 | Very low | 38.6 | Very low | 143 Ų | 143 | 130.2 Ų | 130.2 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | trans | -153.3 | 64 | 153.1 | -159.4 | 155.5 | 0 | 0 | 0 | 111.1 | T117 | I115-T117 VanDerWaalsContact CG1-OG1 3.22Å; I115-T117 WeakPolarHBondContact CG1-OG1 3.31Å; I115-T117 PolarHBondContact O-N 2.66Å; I115-T117 VanDerWaalsContact O-N 3.09Å | ||
| 116 | S | 35 | Very low | 38.5 | Very low | 131 Ų | 131 | 135 Ų | 135 | 92% | 0.916 | 76% | 0.757 | S | S | * | * | trans | -81.6 | 71.2 | 159.3 | -166.9 | 0 | 0 | 0 | 0 | 108.3 | Y118 | S116-Y118 PolarHBondContact O-N 2.87Š| ||
| 117 | T | 34.7 | Very low | 38.5 | Very low | 69 Ų | 69 | 135.1 Ų | 135.1 | 42% | 0.423 | 75% | 0.746 | S | S | . | * | trans | -88.5 | 102.3 | 165.8 | -42.2 | 0 | 0 | 0 | 0 | 107.4 | I115 W119 | I115-T117 VanDerWaalsContact CG1-OG1 3.22Å; I115-T117 WeakPolarHBondContact CG1-OG1 3.31Å; I115-T117 PolarHBondContact O-N 2.66Å; I115-T117 VanDerWaalsContact O-N 3.09Å; T117-W119 HydrophobicContact CG2-CZ2 4.37Å; T117-W119 VanDerWaalsContact O-CD1 3.23Å; T117-W119 PolarHBondContact O-N 3.36Å; T117-W119 PolarHBondContact O-NE1 2.66Å | ||
| 118 | Y | 36.6 | Very low | 38.6 | Very low | 180 Ų | 180 | 139.3 Ų | 139.3 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | trans | -27 | 100.6 | 148.8 | -177.3 | -105 | 0 | 0 | 0 | 112.2 | S116 D120 | S116-Y118 PolarHBondContact O-N 2.87Å; Y118-D120 HydrophobicContact CD1-CB 3.84Å; Y118-D120 HydrophobicContact CE1-CB 3.25Å; Y118-D120 HydrophobicContact CE2-CB 4.5Å; Y118-D120 PolarHBondContact O-N 3.38Å; Y118-D120 PolarHBondContact OH-OD2 2.74Å; Y118-D120 VanDerWaalsContact OH-OD2 3.09Å | ||
| 119 | W | 47.6 | Very low | 38.5 | Very low | 204 Ų | 204 | 141.3 Ų | 141.3 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | trans | -94.5 | 84.8 | 168.6 | -64.9 | 114.7 | 0 | 0 | 0 | 109.1 | T117 W121 | T117-W119 HydrophobicContact CG2-CZ2 4.37Å; T117-W119 VanDerWaalsContact O-CD1 3.23Å; T117-W119 PolarHBondContact O-N 3.36Å; T117-W119 PolarHBondContact O-NE1 2.66Å; W119-W121 AromaticContact CE3-NE1 3.85Å | ||
| 120 | D | 36.7 | Very low | 38.5 | Very low | 96 Ų | 96 | 143 Ų | 143 | 51% | 0.513 | 74% | 0.744 | S | S | . | * | trans | -83.1 | 105 | 163.7 | -174.8 | 11.7 | 0 | 0 | 0 | 107.7 | Y118 | Y118-D120 HydrophobicContact CD1-CB 3.84Å; Y118-D120 HydrophobicContact CE1-CB 3.25Å; Y118-D120 HydrophobicContact CE2-CB 4.5Å; Y118-D120 PolarHBondContact O-N 3.38Å; Y118-D120 PolarHBondContact OH-OD2 2.74Å; Y118-D120 VanDerWaalsContact OH-OD2 3.09Å | ||
| 121 | W | 47.9 | Very low | 38.4 | Very low | 220 Ų | 220 | 141.2 Ų | 141.2 | 83% | 0.833 | 74% | 0.741 | S | S | * | * | trans | -106.6 | 86.6 | 166.9 | -75.5 | 35.7 | 0 | 0 | 0 | 107.2 | W119 | W119-W121 AromaticContact CE3-NE1 3.85Š| ||
| 122 | S | 38 | Very low | 38 | Very low | 110 Ų | 110 | 139 Ų | 139 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | trans | -126.9 | 83.1 | 145.7 | -78.7 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 123 | D | 29.1 | Very low | 38 | Very low | 124 Ų | 124 | 139.7 Ų | 139.7 | 66% | 0.663 | 75% | 0.748 | S | S | * | * | trans | -134.4 | 115.8 | 155.3 | -155.7 | 5.4 | 0 | 0 | 0 | 109.5 | E125 | D123-E125 WeakPolarHBondContact OD1-CG 3.11Š| ||
| 124 | S | 46.5 | Very low | 38 | Very low | 124 Ų | 124 | 141.5 Ų | 141.5 | 87% | 0.867 | 75% | 0.747 | S | S | * | * | trans | -114.9 | 75.7 | 177.2 | -70.5 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 125 | E | 41.8 | Very low | 38 | Very low | 153 Ų | 153 | 143.7 Ų | 143.7 | 72% | 0.715 | 75% | 0.748 | S | S | * | * | trans | -170.1 | 107.5 | 166 | 44.8 | -174.1 | 144.6 | 0 | 0 | 111.3 | D123 | D123-E125 WeakPolarHBondContact OD1-CG 3.11Š| ||
| 126 | F | 31.8 | Very low | 38 | Very low | 166 Ų | 166 | 141.9 Ų | 141.9 | 73% | 0.728 | 75% | 0.754 | S | S | * | * | trans | 172.3 | 107.8 | 135.3 | -124.2 | -112.4 | 0 | 0 | 0 | 108.5 | ||||
| 127 | E | 38.5 | Very low | 38.5 | Very low | 113 Ų | 113 | 141.9 Ų | 141.9 | 53% | 0.528 | 75% | 0.754 | S | S | . | * | 65.1 | 71.5 | 76.1 | -161.9 | 164.2 | -135.7 | 0 | 0 | 113 | Q129 | E127-Q129 VanDerWaalsContact CD-NE2 3.31Å; E127-Q129 HydrophobicContact CG-CG 3.78Å; E127-Q129 PolarHBondContact O-N 2.93Å; E127-Q129 PolarHBondContact OE1-NE2 2.82Å | |||
| 128 | W | 38.6 | Very low | 38.6 | Very low | 236 Ų | 236 | 142.2 Ų | 142.2 | 89% | 0.894 | 77% | 0.771 | S | S | * | * | trans | -81.1 | 87.6 | 159.4 | -72 | 109.7 | 0 | 0 | 0 | 109.2 | ||||
| 129 | Q | 36.1 | Very low | 38.9 | Very low | 144 Ų | 144 | 138.6 Ų | 138.6 | 67% | 0.673 | 77% | 0.772 | S | S | * | * | trans | -86.8 | 108.8 | 158 | -71.5 | 172.3 | 1 | 0 | 0 | 107.7 | E127 | E127-Q129 VanDerWaalsContact CD-NE2 3.31Å; E127-Q129 HydrophobicContact CG-CG 3.78Å; E127-Q129 PolarHBondContact O-N 2.93Å; E127-Q129 PolarHBondContact OE1-NE2 2.82Å | ||
| 130 | L | 37 | Very low | 38.4 | Very low | 150 Ų | 150 | 136.5 Ų | 136.5 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 122.2 | 166.7 | -71.2 | 173.7 | 0 | 0 | 0 | 108.7 | ||
| 131 | P | 36.4 | Very low | 38.9 | Very low | 123 Ų | 123 | 138 Ų | 138 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 134.6 | 168.5 | -23.4 | 35.1 | 0 | 0 | 0 | 111.3 | ||
| 132 | G | 34.8 | Very low | 38.6 | Very low | 76 Ų | 76 | 134.6 Ų | 134.6 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 159.9 | -168.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 133 | S | 35.3 | Very low | 39 | Very low | 118 Ų | 118 | 135.4 Ų | 135.4 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | -159.8 | 97.3 | 148.3 | 33.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 134 | D | 35.4 | Very low | 39.6 | Very low | 167 Ų | 167 | 136.7 Ų | 136.7 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | trans | -72.5 | 123 | 155.6 | -71.1 | -54.3 | 0 | 0 | 0 | 108.3 | ||||
| 135 | I | 44.8 | Very low | 39.3 | Very low | 171 Ų | 171 | 138 Ų | 138 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | trans | -143.3 | 134 | 141.2 | 50.6 | 167.5 | 0 | 0 | 0 | 110.1 | ||||
| 136 | A | 36 | Very low | 39.5 | Very low | 104 Ų | 104 | 138.4 Ų | 138.4 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -64.2 | 144.9 | -168.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 137 | S | 45.8 | Very low | 40.1 | Very low | 131 Ų | 131 | 135.6 Ų | 135.6 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | trans | -144.7 | 116.4 | 151.1 | -164.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 138 | G | 35.3 | Very low | 39.9 | Very low | 77 Ų | 77 | 134.9 Ų | 134.9 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | -83.9 | 145.6 | -155.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 139 | S | 43.3 | Very low | 39.9 | Very low | 103 Ų | 103 | 130.3 Ų | 130.3 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | trans | -163.8 | 107.4 | 144.5 | 170.6 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 140 | D | 38 | Very low | 40.3 | Very low | 161 Ų | 161 | 129 Ų | 129 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | -174.4 | 125.2 | 126.1 | -80.5 | -24 | 0 | 0 | 0 | 109.8 | |||||
| 141 | V | 46.8 | Very low | 40.4 | Very low | 128 Ų | 128 | 127.4 Ų | 127.4 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | trans | -78.5 | 127.1 | -178.3 | 156.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 142 | L | 41.7 | Very low | 40.4 | Very low | 148 Ų | 148 | 127 Ų | 127 | 78% | 0.775 | 81% | 0.808 | S | S | * | * | trans | 65.6 | 104.9 | 154.9 | -62.1 | 166.8 | 0 | 0 | 0 | 117.8 | ||||
| 143 | S | 46 | Very low | 40.7 | Very low | 126 Ų | 126 | 129.3 Ų | 129.3 | 88% | 0.881 | 81% | 0.809 | S | S | * | * | -168.3 | 85.3 | 114.9 | -75.5 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 144 | D | 42.3 | Very low | 40.5 | Very low | 152 Ų | 152 | 129.6 Ų | 129.6 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | trans | -65.3 | 135.1 | 157.6 | -78.2 | -43.2 | 0 | 0 | 0 | 109.4 | ||||
| 145 | I | 40.5 | Very low | 40.9 | Very low | 152 Ų | 152 | 129.5 Ų | 129.5 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | 179.3 | 100.3 | 123.8 | -83.7 | 148.1 | 0 | 0 | 0 | 110.2 | |||||
| 146 | I | 44.2 | Very low | 40.6 | Very low | 161 Ų | 161 | 126.2 Ų | 126.2 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | trans | 88.8 | 143.3 | 134.8 | -64.6 | -179.3 | 0 | 0 | 0 | 120.8 | ||||
| 147 | P | 45.7 | Very low | 40.8 | Very low | 106 Ų | 106 | 126.7 Ų | 126.7 | 69% | 0.688 | 80% | 0.798 | S | S | * | * | trans | -119.8 | 173.8 | -138.2 | 42.6 | -30 | 0 | 0 | 0 | 117.1 | ||||
| 148 | S | 33.5 | Very low | 40.5 | Very low | 99 Ų | 99 | 129.1 Ų | 129.1 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | trans | 96 | 99.9 | 148.7 | -51.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 149 | V | 39.2 | Very low | 41.1 | Very low | 140 Ų | 140 | 136.9 Ų | 136.9 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | trans | 57.7 | 158.7 | 140.3 | -98.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 150 | P | 43.7 | Very low | 41.1 | Very low | 117 Ų | 117 | 141.1 Ų | 141.1 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | cis | -132.1 | 177.5 | -16.9 | 34.5 | -13.3 | 0 | 0 | 0 | 115.4 | ||||
| 151 | S | 38.9 | Very low | 41.7 | Very low | 115 Ų | 115 | 137.9 Ų | 137.9 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -33.9 | 139.1 | 179.7 | -44.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 152 | S | 37.3 | Very low | 42.3 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | -170.9 | 158.5 | 145 | -88.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 153 | P | 40.3 | Very low | 42.8 | Very low | 125 Ų | 125 | 138.7 Ų | 138.7 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | -88.5 | 121.1 | -127.2 | 33.4 | -34.6 | 0 | 0 | 0 | 114.3 | L155 | P153-L155 PolarHBondContact O-N 3.24Š| |||
| 154 | C | 32.7 | Very low | 43.2 | Very low | 125 Ų | 125 | 140.1 Ų | 140.1 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | -76 | 113.7 | 165.4 | -41.3 | 0 | 0 | 0 | 0 | 107.9 | S156 | C154-S156 PolarHBondContact O-N 2.72Å; C154-S156 VanDerWaalsContact O-N 3.08Å | ||
| 155 | L | 43.2 | Very low | 44.4 | Very low | 165 Ų | 165 | 138.6 Ų | 138.6 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | trans | -37.1 | 116.2 | 169.7 | -63 | 165.2 | 0 | 0 | 0 | 109.6 | P153 S157 | P153-L155 PolarHBondContact O-N 3.24Å; L155-S157 PolarHBondContact O-N 3.27Å | ||
| 156 | S | 38.5 | Very low | 46.1 | Very low | 102 Ų | 102 | 135.5 Ų | 135.5 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | trans | -50.7 | 117.4 | 166 | 49.1 | 0 | 0 | 0 | 0 | 106.2 | C154 K158 | C154-S156 PolarHBondContact O-N 2.72Å; C154-S156 VanDerWaalsContact O-N 3.08Å; S156-K158 PolarHBondContact O-N 2.88Å | ||
| 157 | S | 39.8 | Very low | 47.7 | Very low | 114 Ų | 114 | 129.1 Ų | 129.1 | 80% | 0.797 | 72% | 0.724 | S | S | * | * | trans | -57 | 96.4 | 163.5 | -176.4 | 0 | 0 | 0 | 0 | 104.2 | L155 R159 | L155-S157 PolarHBondContact O-N 3.27Å; S157-R159 PolarHBondContact O-N 3.03Å | ||
| 158 | K | 40.3 | Very low | 49.4 | Very low | 181 Ų | 181 | 127.1 Ų | 127.1 | 79% | 0.787 | 71% | 0.707 | S | S | * | * | trans | -53.1 | 105.4 | 167.5 | -78.9 | -141 | 175 | -168 | 0 | 102.8 | S156 K160 | S156-K158 PolarHBondContact O-N 2.88Å; K158-K160 PolarHBondContact O-N 2.86Å | ||
| 159 | R | 47.6 | Very low | 51.7 | Low | 241 Ų | 241 | 130.4 Ų | 130.4 | 91% | 0.909 | 71% | 0.711 | S | S | * | * | trans | -51.6 | 98.4 | 156.3 | -75.3 | -173.3 | -158.8 | 165.6 | 6 | 103 | S157 A161 | S157-R159 PolarHBondContact O-N 3.03Å; R159-A161 VanDerWaalsContact C-N 3.29Å; R159-A161 PolarHBondContact O-N 3.24Å | ||
| 160 | K | 42.5 | Very low | 53.9 | Low | 191 Ų | 191 | 124.9 Ų | 124.9 | 83% | 0.83 | 68% | 0.677 | S | S | * | * | trans | -54 | 110.8 | 164.4 | -82.7 | -171.4 | 169.4 | -178 | 0 | 102.2 | K158 K162 | K158-K160 PolarHBondContact O-N 2.86Å; K160-K162 VanDerWaalsContact C-N 3.33Å; K160-K162 PolarHBondContact O-N 3.17Å | ||
| 161 | A | 50.4 | Low | 56 | Low | 93 Ų | 93 | 122.2 Ų | 122.2 | 77% | 0.769 | 66% | 0.66 | S | S | * | * | trans | -46.4 | 114.3 | 159.1 | 0 | 0 | 0 | 0 | 0 | 104.1 | R159 | R159-A161 VanDerWaalsContact C-N 3.29Å; R159-A161 PolarHBondContact O-N 3.24Å | ||
| 162 | K | 60.3 | Low | 58.5 | Low | 186 Ų | 186 | 117.5 Ų | 117.5 | 81% | 0.809 | 62% | 0.624 | S | S | * | * | trans | -52.4 | 123 | -179.2 | -158.8 | 130.5 | 176.4 | -177.1 | 0 | 104.3 | K160 H164 | K160-K162 VanDerWaalsContact C-N 3.33Å; K160-K162 PolarHBondContact O-N 3.17Å; K162-H164 PolarHBondContact O-N 3.4Å | ||
| 163 | P | 52.3 | Low | 61 | Low | 107 Ų | 107 | 116.2 Ų | 116.2 | 70% | 0.695 | 62% | 0.615 | S | S | * | * | trans | -53.5 | 118.5 | 175.2 | 21.6 | -30.6 | 0 | 0 | 0 | 105.1 | R165 | P163-R165 PolarHBondContact O-N 3.35Š| ||
| 164 | H | 53.7 | Low | 63.3 | Low | 156 Ų | 156 | 112.3 Ų | 112.3 | 72% | 0.722 | 59% | 0.594 | S | S | * | * | trans | -56.6 | 100.1 | 178.6 | -167 | -57.7 | 0 | 0 | 0 | 105.3 | K162 N166 | K162-H164 PolarHBondContact O-N 3.4Å; H164-N166 PolarHBondContact O-N 2.92Å | ||
| 165 | R | 67.7 | Low | 66.1 | Low | 121 Ų | 121 | 106.9 Ų | 106.9 | 46% | 0.457 | 56% | 0.556 | S | S | . | * | trans | -63 | 132.6 | -175 | -162.9 | -169.8 | 177.7 | -166.1 | -1.9 | 104.7 | P163 M167 L170 A174 | P163-R165 PolarHBondContact O-N 3.35Å; R165-M167 HydrophobicContact CB-CE 3.66Å; R165-M167 HydrophobicContact CG-CE 4.16Å; R165-M167 PolarHBondContact O-N 3.12Å; R165-L170 HydrophobicContact CG-CD1 3.79Å; R165-L170 VanDerWaalsContact CZ-CD2 3.47Å; R165-A174 PolarHBondContact NH1-O 3.15Å | ||
| 166 | N | 76.2 | Confident | 68.4 | Low | 87 Ų | 87 | 102.6 Ų | 102.6 | 47% | 0.465 | 54% | 0.537 | S | S | . | . | trans | -66.8 | 103.2 | -177.1 | -176.2 | -77.8 | 0 | 0 | 0 | 108.6 | H164 D168 E169 L170 | H164-N166 PolarHBondContact O-N 2.92Å; N166-D168 VanDerWaalsContact C-N 3.27Å; N166-D168 PolarHBondContact O-N 3.38Å; N166-D168 PolarHBondContact OD1-N 3.03Å; N166-E169 WeakPolarHBondContact OD1-CG 3.35Å; N166-E169 PolarHBondContact OD1-N 2.95Å; N166-L170 VanDerWaalsContact O-CD1 3.32Å; N166-L170 WeakPolarHBondContact O-CD1 3.45Å | ||
| 167 | M | 78.8 | Confident | 71 | Confident | 27 Ų | 27 | 102.5 Ų | 102.5 | 13% | 0.133 | 53% | 0.528 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -24.6 | -176.3 | -70.5 | -66.2 | 113.5 | 0 | 0 | 112.7 | R165 E169 L170 M175 E179 Y183 R236 | R165-M167 HydrophobicContact CB-CE 3.66Å; R165-M167 HydrophobicContact CG-CE 4.16Å; R165-M167 PolarHBondContact O-N 3.12Å; M167-E169 VanDerWaalsContact C-N 3.32Å; M167-E169 PolarHBondContact O-N 3.4Å; M167-L170 HydrophobicContact CE-CD1 3.46Å; M167-L170 VanDerWaalsContact CE-CD1 3.46Å; M167-L170 PolarHBondContact O-N 2.84Å; M167-L170 HydrophobicContact SD-CD1 4.26Å; M167-M175 HydrophobicContact CB-CE 4.06Å; M167-M175 WeakPolarHBondContact O-CE 3.33Å; M167-M175 HydrophobicContact SD-CE 3.82Å; M167-M175 HydrophobicContact SD-CG 4.29Å; M167-M175 HydrophobicContact SD-SD 4.29Å; M167-E179 HydrophobicContact SD-CB 4.26Å; M167-E179 HydrophobicContact SD-CG 4.46Å; M167-Y183 HydrophobicContact CB-CD2 3.77Å; M167-Y183 HydrophobicContact CB-CE2 4.04Å; M167-R236 PolarHBondContact O-NH2 3.11Å |
| 168 | D | 79.4 | Confident | 73.5 | Confident | 63 Ų | 63 | 103.1 Ų | 103.1 | 34% | 0.337 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -18.4 | -175.9 | -79.3 | -35.7 | 0 | 0 | 0 | 114.2 | N166 Y183 R236 | N166-D168 VanDerWaalsContact C-N 3.27Å; N166-D168 PolarHBondContact O-N 3.38Å; N166-D168 PolarHBondContact OD1-N 3.03Å; D168-Y183 PolarHBondContact OD1-OH 3.4Å; D168-Y183 VanDerWaalsContact OD1-OH 3.08Å; D168-R236 VanDerWaalsContact C-NH1 3.34Å; D168-R236 WeakPolarHBondContact O-CD 3.24Å; D168-R236 PolarHBondContact O-NE 3.45Å; D168-R236 PolarHBondContact O-NH1 3.33Å |
| 169 | E | 82.1 | Confident | 75.9 | Confident | 168 Ų | 168 | 96.5 Ų | 96.5 | 79% | 0.785 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -102.2 | -10.2 | 178.9 | -69.6 | 179.2 | -171.8 | 0 | 0 | 113.5 | N166 M167 | N166-E169 WeakPolarHBondContact OD1-CG 3.35Å; N166-E169 PolarHBondContact OD1-N 2.95Å; M167-E169 VanDerWaalsContact C-N 3.32Å; M167-E169 PolarHBondContact O-N 3.4Å |
| 170 | L | 86.1 | Confident | 78.1 | Confident | 24 Ų | 24 | 86.4 Ų | 86.4 | 13% | 0.126 | 46% | 0.458 | C | S | . | . | S | Bend | trans | -84.8 | 140.6 | -177.6 | -74.4 | 158.8 | 0 | 0 | 0 | 112.1 | R165 N166 M167 M175 R236 | R165-L170 HydrophobicContact CG-CD1 3.79Å; R165-L170 VanDerWaalsContact CZ-CD2 3.47Å; N166-L170 VanDerWaalsContact O-CD1 3.32Å; N166-L170 WeakPolarHBondContact O-CD1 3.45Å; M167-L170 HydrophobicContact CE-CD1 3.46Å; M167-L170 VanDerWaalsContact CE-CD1 3.46Å; M167-L170 PolarHBondContact O-N 2.84Å; M167-L170 HydrophobicContact SD-CD1 4.26Å; L170-M175 HydrophobicContact CB-CE 3.93Å; L170-R236 PolarHBondContact O-NH1 3.48Å; L170-R236 PolarHBondContact O-NH2 3.25Å; L170-R236 VanDerWaalsContact O-NH2 3.08Å |
| 171 | P | 87.8 | Confident | 80.4 | Confident | 61 Ų | 61 | 79.9 Ų | 79.9 | 40% | 0.396 | 43% | 0.434 | S | S | . | . | trans | -66.5 | 148.6 | 167.5 | 28.1 | -30.1 | 0 | 0 | 0 | 110.2 | S173 A174 D229 | P171-S173 PolarHBondContact O-N 2.66Å; P171-A174 HydrophobicContact CG-CB 3.73Å; P171-A174 PolarHBondContact O-N 3.41Å; P171-A174 VanDerWaalsContact O-N 3.1Å; P171-D229 WeakPolarHBondContact CB-OD1 3.28Å | ||
| 172 | W | 91.1 | Very high | 82.4 | Confident | 17 Ų | 17 | 81 Ų | 81 | 6% | 0.064 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -51.6 | -43 | 175.7 | -173 | -111.3 | 0 | 0 | 0 | 112 | A174 M175 Q180 Y183 I184 L227 D229 L232 | W172-A174 PolarHBondContact O-N 3.24Å; W172-M175 HydrophobicContact CE3-SD 4.24Å; W172-M175 WeakPolarHBondContact O-CB 3.1Å; W172-M175 PolarHBondContact O-N 3.49Å; W172-Q180 HydrophobicContact CD2-CG 4.16Å; W172-Q180 HydrophobicContact CE3-CG 4.15Å; W172-Q180 HydrophobicContact CH2-CB 3.54Å; W172-Q180 HydrophobicContact CH2-CG 3.81Å; W172-Q180 HydrophobicContact CZ2-CB 3.86Å; W172-Q180 HydrophobicContact CZ2-CG 3.84Å; W172-Q180 HydrophobicContact CZ3-CB 4.01Å; W172-Q180 HydrophobicContact CZ3-CG 3.99Å; W172-Q180 PolarHBondContact O-NE2 2.81Å; W172-Y183 HydrophobicContact CZ3-CD1 4.23Å; W172-I184 HydrophobicContact CH2-CD1 3.52Å; W172-I184 HydrophobicContact CH2-CG1 3.62Å; W172-I184 HydrophobicContact CZ2-CD1 4.12Å; W172-I184 HydrophobicContact CZ3-CG1 4.2Å; W172-L227 HydrophobicContact CD2-CB 4.04Å; W172-L227 HydrophobicContact CE3-CB 4.46Å; W172-L227 HydrophobicContact CE3-CD1 4.37Å; W172-L227 HydrophobicContact CH2-CB 4.27Å; W172-L227 HydrophobicContact CH2-CD1 3.68Å; W172-L227 HydrophobicContact CZ2-CB 3.79Å; W172-L227 HydrophobicContact CZ2-CD1 4.05Å; W172-L227 HydrophobicContact CZ3-CD1 3.83Å; W172-L227 PolarHBondContact NE1-O 3.38Å; W172-L227 VanDerWaalsContact NE1-O 3.1Å; W172-D229 VanDerWaalsContact CA-OD1 3.24Å; W172-D229 WeakPolarHBondContact CA-OD1 3.46Å; W172-D229 WeakPolarHBondContact CB-OD1 3.27Å; W172-D229 PolarHBondContact N-OD1 2.93Å; W172-L232 HydrophobicContact CB-CD2 3.86Å; W172-L232 HydrophobicContact CD2-CD2 4.4Å; W172-L232 HydrophobicContact CE3-CD1 4.21Å; W172-L232 HydrophobicContact CE3-CD2 3.74Å |
| 173 | S | 89.5 | Confident | 83.9 | Confident | 86 Ų | 86 | 72.4 Ų | 72.4 | 60% | 0.601 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -66.7 | -18.6 | -179.3 | 57 | 0 | 0 | 0 | 0 | 114.5 | P171 D229 | P171-S173 PolarHBondContact O-N 2.66Å; S173-D229 VanDerWaalsContact CB-OD2 3.31Å; S173-D229 WeakPolarHBondContact CB-OD2 3.38Å; S173-D229 PolarHBondContact N-OD1 3.49Å; S173-D229 PolarHBondContact OG-OD1 3.47Å; S173-D229 PolarHBondContact OG-OD2 3.02Å |
| 174 | A | 90.1 | Very high | 85.8 | Confident | 44 Ų | 44 | 68.1 Ų | 68.1 | 36% | 0.364 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -96.9 | -0.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | R165 P171 W172 | R165-A174 PolarHBondContact NH1-O 3.15Å; P171-A174 HydrophobicContact CG-CB 3.73Å; P171-A174 PolarHBondContact O-N 3.41Å; P171-A174 VanDerWaalsContact O-N 3.1Å; W172-A174 PolarHBondContact O-N 3.24Å |
| 175 | M | 89.9 | Confident | 87.7 | Confident | 11 Ų | 11 | 65.8 Ų | 65.8 | 5% | 0.054 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -87.3 | 141.4 | 173.8 | -67.3 | 178.3 | 176.4 | 0 | 0 | 109.9 | M167 L170 W172 E179 Q180 Y183 | M167-M175 HydrophobicContact CB-CE 4.06Å; M167-M175 WeakPolarHBondContact O-CE 3.33Å; M167-M175 HydrophobicContact SD-CE 3.82Å; M167-M175 HydrophobicContact SD-CG 4.29Å; M167-M175 HydrophobicContact SD-SD 4.29Å; L170-M175 HydrophobicContact CB-CE 3.93Å; W172-M175 HydrophobicContact CE3-SD 4.24Å; W172-M175 WeakPolarHBondContact O-CB 3.1Å; W172-M175 PolarHBondContact O-N 3.49Å; M175-E179 WeakPolarHBondContact CA-OE2 3.47Å; M175-E179 HydrophobicContact CB-CB 4.06Å; M175-Q180 HydrophobicContact CB-CG 3.62Å; M175-Y183 HydrophobicContact CE-CD2 4.18Å; M175-Y183 HydrophobicContact CE-CG 4.27Å; M175-Y183 HydrophobicContact SD-CG 4.33Å |
| 176 | T | 92.4 | Very high | 88.9 | Confident | 74 Ų | 74 | 64.1 Ų | 64.1 | 45% | 0.454 | 34% | 0.34 | S | S | . | . | trans | -70.8 | 164.5 | 169.6 | 65.2 | 0 | 0 | 0 | 0 | 110.7 | D178 E179 Q180 | T176-D178 VanDerWaalsContact C-N 3.3Å; T176-D178 PolarHBondContact O-N 2.91Å; T176-E179 PolarHBondContact N-OE2 3.42Å; T176-E179 PolarHBondContact O-N 2.71Å; T176-E179 VanDerWaalsContact O-N 3.12Å; T176-E179 VanDerWaalsContact OG1-CG 3.25Å; T176-E179 WeakPolarHBondContact OG1-CG 3.35Å; T176-E179 PolarHBondContact OG1-N 3.29Å; T176-Q180 WeakPolarHBondContact O-CG 3.49Å; T176-Q180 PolarHBondContact O-N 3.1Å | ||
| 177 | N | 92.6 | Very high | 89.6 | Confident | 100 Ų | 100 | 60.1 Ų | 60.1 | 54% | 0.535 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57.4 | -43.1 | 179.5 | -172.7 | -108 | 0 | 0 | 0 | 112.3 | E179 Q180 V181 L224 | N177-E179 PolarHBondContact O-N 3.15Å; N177-Q180 WeakPolarHBondContact O-CB 3.3Å; N177-Q180 PolarHBondContact O-N 3.26Å; N177-V181 WeakPolarHBondContact O-CG2 3.36Å; N177-V181 PolarHBondContact O-N 3.02Å; N177-L224 WeakPolarHBondContact ND2-CD2 3.32Å |
| 178 | D | 92.2 | Very high | 90.1 | Very high | 127 Ų | 127 | 61 Ų | 61 | 68% | 0.679 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -62.6 | -42.3 | 175.5 | -56.3 | -38.7 | 0 | 0 | 0 | 112.1 | T176 Q180 V181 E182 | T176-D178 VanDerWaalsContact C-N 3.3Å; T176-D178 PolarHBondContact O-N 2.91Å; D178-Q180 VanDerWaalsContact C-N 3.32Å; D178-Q180 PolarHBondContact O-N 2.91Å; D178-V181 PolarHBondContact O-N 3.4Å; D178-E182 PolarHBondContact O-N 3.48Å |
| 179 | E | 91.9 | Very high | 90.7 | Very high | 42 Ų | 42 | 65.6 Ų | 65.6 | 20% | 0.196 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.3 | -35.7 | 176.5 | -72.2 | 173.5 | 163.9 | 0 | 0 | 111.5 | M167 M175 T176 N177 Y183 | M167-E179 HydrophobicContact SD-CB 4.26Å; M167-E179 HydrophobicContact SD-CG 4.46Å; M175-E179 WeakPolarHBondContact CA-OE2 3.47Å; M175-E179 HydrophobicContact CB-CB 4.06Å; T176-E179 PolarHBondContact N-OE2 3.42Å; T176-E179 PolarHBondContact O-N 2.71Å; T176-E179 VanDerWaalsContact O-N 3.12Å; T176-E179 VanDerWaalsContact OG1-CG 3.25Å; T176-E179 WeakPolarHBondContact OG1-CG 3.35Å; T176-E179 PolarHBondContact OG1-N 3.29Å; N177-E179 PolarHBondContact O-N 3.15Å; E179-Y183 VanDerWaalsContact O-CB 3.32Å; E179-Y183 WeakPolarHBondContact O-CB 3.42Å; E179-Y183 PolarHBondContact O-N 3.21Å |
| 180 | Q | 92.3 | Very high | 91.1 | Very high | 30 Ų | 30 | 59.4 Ų | 59.4 | 14% | 0.14 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.7 | -42.6 | 176.4 | -75.6 | 176.5 | -10.3 | 0 | 0 | 111.9 | W172 M175 T176 N177 D178 Y183 I184 | W172-Q180 HydrophobicContact CD2-CG 4.16Å; W172-Q180 HydrophobicContact CE3-CG 4.15Å; W172-Q180 HydrophobicContact CH2-CB 3.54Å; W172-Q180 HydrophobicContact CH2-CG 3.81Å; W172-Q180 HydrophobicContact CZ2-CB 3.86Å; W172-Q180 HydrophobicContact CZ2-CG 3.84Å; W172-Q180 HydrophobicContact CZ3-CB 4.01Å; W172-Q180 HydrophobicContact CZ3-CG 3.99Å; W172-Q180 PolarHBondContact O-NE2 2.81Å; M175-Q180 HydrophobicContact CB-CG 3.62Å; T176-Q180 WeakPolarHBondContact O-CG 3.49Å; T176-Q180 PolarHBondContact O-N 3.1Å; N177-Q180 WeakPolarHBondContact O-CB 3.3Å; N177-Q180 PolarHBondContact O-N 3.26Å; D178-Q180 VanDerWaalsContact C-N 3.32Å; D178-Q180 PolarHBondContact O-N 2.91Å; Q180-Y183 PolarHBondContact O-N 3.32Å; Q180-I184 WeakPolarHBondContact O-CG1 3.34Å; Q180-I184 PolarHBondContact O-N 3.1Å |
| 181 | V | 92.1 | Very high | 91.4 | Very high | 54 Ų | 54 | 59 Ų | 59 | 33% | 0.327 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.4 | -49.9 | 175.2 | 175.8 | 0 | 0 | 0 | 0 | 110 | N177 D178 Y183 I184 E185 L224 | N177-V181 WeakPolarHBondContact O-CG2 3.36Å; N177-V181 PolarHBondContact O-N 3.02Å; D178-V181 PolarHBondContact O-N 3.4Å; V181-Y183 VanDerWaalsContact C-N 3.25Å; V181-Y183 PolarHBondContact O-N 3.43Å; V181-I184 PolarHBondContact O-N 3.08Å; V181-I184 VanDerWaalsContact O-N 3.13Å; V181-E185 PolarHBondContact O-N 3.04Å; V181-L224 HydrophobicContact CG2-CD1 4.22Å; V181-L224 HydrophobicContact CG2-CD2 3.97Å |
| 182 | E | 92.6 | Very high | 91.5 | Very high | 115 Ų | 115 | 59.8 Ų | 59.8 | 54% | 0.537 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -57.8 | -40 | 177 | -173.8 | 179.1 | -173.8 | 0 | 0 | 111.5 | D178 E185 Y186 | D178-E182 PolarHBondContact O-N 3.48Å; E182-E185 PolarHBondContact O-N 3.34Å; E182-Y186 WeakPolarHBondContact O-CB 3.33Å; E182-Y186 PolarHBondContact O-N 3.24Å |
| 183 | Y | 92 | Very high | 91.4 | Very high | 6 Ų | 6 | 64.1 Ų | 64.1 | 2% | 0.024 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -69.1 | -38 | 177.3 | -165.6 | -96.6 | 0 | 0 | 0 | 113 | M167 D168 W172 M175 E179 Q180 V181 Y186 L187 L232 R236 | M167-Y183 HydrophobicContact CB-CD2 3.77Å; M167-Y183 HydrophobicContact CB-CE2 4.04Å; D168-Y183 PolarHBondContact OD1-OH 3.4Å; D168-Y183 VanDerWaalsContact OD1-OH 3.08Å; W172-Y183 HydrophobicContact CZ3-CD1 4.23Å; M175-Y183 HydrophobicContact CE-CD2 4.18Å; M175-Y183 HydrophobicContact CE-CG 4.27Å; M175-Y183 HydrophobicContact SD-CG 4.33Å; E179-Y183 VanDerWaalsContact O-CB 3.32Å; E179-Y183 WeakPolarHBondContact O-CB 3.42Å; E179-Y183 PolarHBondContact O-N 3.21Å; Q180-Y183 PolarHBondContact O-N 3.32Å; V181-Y183 VanDerWaalsContact C-N 3.25Å; V181-Y183 PolarHBondContact O-N 3.43Å; Y183-Y186 HydrophobicContact CD2-CD1 4.14Å; Y183-Y186 AromaticContact CE2-CD1 3.9Å; Y183-Y186 HydrophobicContact CE2-CD1 3.9Å; Y183-Y186 HydrophobicContact CE2-CE1 4.23Å; Y183-Y186 PolarHBondContact O-N 3.23Å; Y183-L187 HydrophobicContact CD1-CB 4.46Å; Y183-L187 HydrophobicContact CE1-CB 4.3Å; Y183-L187 HydrophobicContact CE1-CD2 4.37Å; Y183-L187 WeakPolarHBondContact O-CB 3.35Å; Y183-L187 PolarHBondContact O-N 3.32Å; Y183-L232 HydrophobicContact CD1-CD1 3.96Å; Y183-L232 HydrophobicContact CE1-CD1 3.47Å; Y183-L232 VanDerWaalsContact CE1-CD1 3.47Å; Y183-L232 HydrophobicContact CE1-CD2 4.26Å; Y183-L232 HydrophobicContact CE1-CG 4.19Å; Y183-R236 PolarHBondContact OH-NE 2.74Å |
| 184 | I | 92.4 | Very high | 91.4 | Very high | 18 Ų | 18 | 63 Ų | 63 | 9% | 0.092 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.4 | -45.2 | 175 | -76.5 | 166.5 | 0 | 0 | 0 | 110.4 | W172 Q180 V181 Y186 L187 S188 I222 L224 L227 | W172-I184 HydrophobicContact CH2-CD1 3.52Å; W172-I184 HydrophobicContact CH2-CG1 3.62Å; W172-I184 HydrophobicContact CZ2-CD1 4.12Å; W172-I184 HydrophobicContact CZ3-CG1 4.2Å; Q180-I184 WeakPolarHBondContact O-CG1 3.34Å; Q180-I184 PolarHBondContact O-N 3.1Å; V181-I184 PolarHBondContact O-N 3.08Å; V181-I184 VanDerWaalsContact O-N 3.13Å; I184-Y186 VanDerWaalsContact C-N 3.33Å; I184-Y186 PolarHBondContact O-N 3.49Å; I184-L187 PolarHBondContact O-N 2.79Å; I184-S188 WeakPolarHBondContact O-CB 2.92Å; I184-S188 PolarHBondContact O-N 3.15Å; I184-S188 PolarHBondContact O-OG 2.91Å; I184-I222 HydrophobicContact CD1-CG2 4.34Å; I184-I222 HydrophobicContact CG1-CG2 4.31Å; I184-I222 HydrophobicContact CG2-CB 3.94Å; I184-I222 HydrophobicContact CG2-CD1 4.5Å; I184-I222 HydrophobicContact CG2-CG2 4.26Å; I184-L224 HydrophobicContact CD1-CB 4.46Å; I184-L224 HydrophobicContact CD1-CD1 3.77Å; I184-L224 HydrophobicContact CD1-CG 3.81Å; I184-L227 HydrophobicContact CD1-CD1 4.16Å; I184-L227 HydrophobicContact CG1-CD1 3.75Å |
| 185 | E | 92.3 | Very high | 91.3 | Very high | 106 Ų | 106 | 61.5 Ų | 61.5 | 50% | 0.495 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63 | -41.4 | 176.7 | -69.6 | -177.6 | -177 | 0 | 0 | 112.1 | V181 E182 S188 R189 | V181-E185 PolarHBondContact O-N 3.04Å; E182-E185 PolarHBondContact O-N 3.34Å; E185-S188 PolarHBondContact O-OG 3.37Å; E185-R189 VanDerWaalsContact O-CB 3.29Å; E185-R189 WeakPolarHBondContact O-CB 3.39Å; E185-R189 PolarHBondContact O-N 2.96Å; E185-R189 VanDerWaalsContact O-N 3.09Å |
| 186 | Y | 92.2 | Very high | 91.4 | Very high | 87 Ų | 87 | 62.7 Ų | 62.7 | 34% | 0.341 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.3 | -46 | 173.6 | 168.9 | -105.1 | 0 | 0 | 0 | 111.4 | E182 Y183 I184 R189 K190 | E182-Y186 WeakPolarHBondContact O-CB 3.33Å; E182-Y186 PolarHBondContact O-N 3.24Å; Y183-Y186 HydrophobicContact CD2-CD1 4.14Å; Y183-Y186 AromaticContact CE2-CD1 3.9Å; Y183-Y186 HydrophobicContact CE2-CD1 3.9Å; Y183-Y186 HydrophobicContact CE2-CE1 4.23Å; Y183-Y186 PolarHBondContact O-N 3.23Å; I184-Y186 VanDerWaalsContact C-N 3.33Å; I184-Y186 PolarHBondContact O-N 3.49Å; Y186-R189 PolarHBondContact O-N 3.44Å; Y186-K190 HydrophobicContact CE1-CD 3.92Å; Y186-K190 VanDerWaalsContact O-CB 3.26Å; Y186-K190 WeakPolarHBondContact O-CB 3.25Å; Y186-K190 PolarHBondContact O-N 2.86Å; Y186-K190 WeakPolarHBondContact OH-CD 3.35Å; Y186-K190 WeakPolarHBondContact OH-CE 3.32Å; Y186-K190 PolarHBondContact OH-NZ 3.08Å |
| 187 | L | 91.3 | Very high | 91.3 | Very high | 2 Ų | 2 | 65.2 Ų | 65.2 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.8 | -46.4 | -177.7 | 179.6 | 63 | 0 | 0 | 0 | 111.2 | Y183 I184 R189 K190 V191 L232 V235 I239 | Y183-L187 HydrophobicContact CD1-CB 4.46Å; Y183-L187 HydrophobicContact CE1-CB 4.3Å; Y183-L187 HydrophobicContact CE1-CD2 4.37Å; Y183-L187 WeakPolarHBondContact O-CB 3.35Å; Y183-L187 PolarHBondContact O-N 3.32Å; I184-L187 PolarHBondContact O-N 2.79Å; L187-R189 PolarHBondContact O-N 2.75Å; L187-K190 PolarHBondContact O-N 3.39Å; L187-V191 HydrophobicContact CD1-CG2 4.06Å; L187-V191 HydrophobicContact CG-CG2 4.48Å; L187-V191 WeakPolarHBondContact O-CB 3.37Å; L187-V191 VanDerWaalsContact O-CG2 3.27Å; L187-V191 WeakPolarHBondContact O-CG2 3.47Å; L187-V191 PolarHBondContact O-N 3.19Å; L187-L232 HydrophobicContact CD2-CD1 4.34Å; L187-V235 HydrophobicContact CD1-CG1 3.81Å; L187-V235 HydrophobicContact CD2-CG1 4.16Å; L187-V235 HydrophobicContact CG-CG1 4.49Å; L187-I239 HydrophobicContact CD1-CD1 3.55Å |
| 188 | S | 90.2 | Very high | 91.3 | Very high | 46 Ų | 46 | 68.6 Ų | 68.6 | 32% | 0.322 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.6 | -48.2 | 176.5 | 65.2 | 0 | 0 | 0 | 0 | 110.3 | I184 E185 K190 V191 S192 | I184-S188 WeakPolarHBondContact O-CB 2.92Å; I184-S188 PolarHBondContact O-N 3.15Å; I184-S188 PolarHBondContact O-OG 2.91Å; E185-S188 PolarHBondContact O-OG 3.37Å; S188-K190 VanDerWaalsContact C-N 3.35Å; S188-K190 PolarHBondContact O-N 3.21Å; S188-V191 PolarHBondContact O-N 3.4Å; S188-S192 WeakPolarHBondContact O-CB 3.4Å; S188-S192 PolarHBondContact O-N 2.88Å; S188-S192 PolarHBondContact O-OG 2.9Å |
| 189 | R | 91.1 | Very high | 91.4 | Very high | 160 Ų | 160 | 65.3 Ų | 65.3 | 60% | 0.604 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -59.3 | -43.1 | 175.7 | -171.7 | -178.3 | -59.9 | 144.5 | 7.4 | 112.5 | E185 Y186 L187 T193 | E185-R189 VanDerWaalsContact O-CB 3.29Å; E185-R189 WeakPolarHBondContact O-CB 3.39Å; E185-R189 PolarHBondContact O-N 2.96Å; E185-R189 VanDerWaalsContact O-N 3.09Å; Y186-R189 PolarHBondContact O-N 3.44Å; L187-R189 PolarHBondContact O-N 2.75Å; R189-T193 WeakPolarHBondContact O-CB 3.47Å; R189-T193 VanDerWaalsContact O-CG2 3.31Å; R189-T193 WeakPolarHBondContact O-CG2 3.5Å; R189-T193 PolarHBondContact O-N 2.98Å; R189-T193 VanDerWaalsContact O-N 3.11Å; R189-T193 PolarHBondContact O-OG1 3Å |
| 190 | K | 91.9 | Very high | 91.4 | Very high | 38 Ų | 38 | 65.4 Ų | 65.4 | 17% | 0.165 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.2 | -45.8 | 179.6 | -172.3 | 179.9 | -165 | 163.2 | 0 | 111.3 | Y186 L187 S188 T193 E194 I239 | Y186-K190 HydrophobicContact CE1-CD 3.92Å; Y186-K190 VanDerWaalsContact O-CB 3.26Å; Y186-K190 WeakPolarHBondContact O-CB 3.25Å; Y186-K190 PolarHBondContact O-N 2.86Å; Y186-K190 WeakPolarHBondContact OH-CD 3.35Å; Y186-K190 WeakPolarHBondContact OH-CE 3.32Å; Y186-K190 PolarHBondContact OH-NZ 3.08Å; L187-K190 PolarHBondContact O-N 3.39Å; S188-K190 VanDerWaalsContact C-N 3.35Å; S188-K190 PolarHBondContact O-N 3.21Å; K190-T193 PolarHBondContact O-N 3.43Å; K190-T193 PolarHBondContact O-OG1 3.43Å; K190-E194 HydrophobicContact CG-CG 4.39Å; K190-E194 WeakPolarHBondContact O-CB 3.4Å; K190-E194 PolarHBondContact O-N 2.89Å; K190-I239 HydrophobicContact CD-CG2 4.38Å |
| 191 | V | 91.4 | Very high | 91.4 | Very high | 14 Ų | 14 | 67.1 Ų | 67.1 | 9% | 0.085 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.4 | -42.3 | 179.7 | 169.5 | 0 | 0 | 0 | 0 | 111 | L187 S188 T193 M195 Q200 I203 I239 | L187-V191 HydrophobicContact CD1-CG2 4.06Å; L187-V191 HydrophobicContact CG-CG2 4.48Å; L187-V191 WeakPolarHBondContact O-CB 3.37Å; L187-V191 VanDerWaalsContact O-CG2 3.27Å; L187-V191 WeakPolarHBondContact O-CG2 3.47Å; L187-V191 PolarHBondContact O-N 3.19Å; S188-V191 PolarHBondContact O-N 3.4Å; V191-T193 VanDerWaalsContact C-N 3.27Å; V191-T193 PolarHBondContact O-N 3.37Å; V191-M195 HydrophobicContact CG1-CB 4.46Å; V191-M195 HydrophobicContact CG1-CG 4.4Å; V191-M195 VanDerWaalsContact O-CB 3.22Å; V191-M195 WeakPolarHBondContact O-CB 3.47Å; V191-M195 PolarHBondContact O-N 2.96Å; V191-M195 VanDerWaalsContact O-N 3.14Å; V191-Q200 HydrophobicContact CG1-CB 4.23Å; V191-Q200 HydrophobicContact CG1-CG 3.68Å; V191-Q200 PolarHBondContact O-NE2 3.45Å; V191-I203 HydrophobicContact CB-CD1 4.35Å; V191-I203 HydrophobicContact CG1-CD1 3.75Å; V191-I203 HydrophobicContact CG2-CD1 3.65Å; V191-I203 HydrophobicContact CG2-CG2 4.41Å; V191-I239 HydrophobicContact CG2-CD1 3.62Å; V191-I239 HydrophobicContact CG2-CG1 4.18Å |
| 192 | S | 89.6 | Confident | 91.4 | Very high | 79 Ų | 79 | 67.1 Ų | 67.1 | 55% | 0.552 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -64.5 | -28.3 | 176.2 | -60.2 | 0 | 0 | 0 | 0 | 114 | S188 | S188-S192 WeakPolarHBondContact O-CB 3.4Å; S188-S192 PolarHBondContact O-N 2.88Å; S188-S192 PolarHBondContact O-OG 2.9Å |
| 193 | T | 89.6 | Confident | 91.5 | Very high | 108 Ų | 108 | 61.9 Ų | 61.9 | 66% | 0.663 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -98.8 | -32.3 | -175.6 | 53.6 | 0 | 0 | 0 | 0 | 114.2 | R189 K190 V191 | R189-T193 WeakPolarHBondContact O-CB 3.47Å; R189-T193 VanDerWaalsContact O-CG2 3.31Å; R189-T193 WeakPolarHBondContact O-CG2 3.5Å; R189-T193 PolarHBondContact O-N 2.98Å; R189-T193 VanDerWaalsContact O-N 3.11Å; R189-T193 PolarHBondContact O-OG1 3Å; K190-T193 PolarHBondContact O-N 3.43Å; K190-T193 PolarHBondContact O-OG1 3.43Å; V191-T193 VanDerWaalsContact C-N 3.27Å; V191-T193 PolarHBondContact O-N 3.37Å |
| 194 | E | 89.8 | Confident | 91.5 | Very high | 62 Ų | 62 | 62.6 Ų | 62.6 | 29% | 0.29 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -99 | -21 | -176.1 | -66 | -168.9 | -155.5 | 0 | 0 | 113.9 | K190 S243 P244 | K190-E194 HydrophobicContact CG-CG 4.39Å; K190-E194 WeakPolarHBondContact O-CB 3.4Å; K190-E194 PolarHBondContact O-N 2.89Å; E194-S243 PolarHBondContact OE2-OG 3.26Å; E194-P244 WeakPolarHBondContact O-CD 3.33Å |
| 195 | M | 88.1 | Confident | 91.5 | Very high | 13 Ų | 13 | 66.8 Ų | 66.8 | 6% | 0.064 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -115.3 | 145.9 | -169.4 | -48.4 | -65.5 | -69.7 | 0 | 0 | 111.3 | V191 E199 Q200 I203 Y238 I239 H242 | V191-M195 HydrophobicContact CG1-CB 4.46Å; V191-M195 HydrophobicContact CG1-CG 4.4Å; V191-M195 VanDerWaalsContact O-CB 3.22Å; V191-M195 WeakPolarHBondContact O-CB 3.47Å; V191-M195 PolarHBondContact O-N 2.96Å; V191-M195 VanDerWaalsContact O-N 3.14Å; M195-E199 HydrophobicContact CB-CB 4.02Å; M195-E199 HydrophobicContact CE-CB 3.55Å; M195-E199 HydrophobicContact CE-CG 3.99Å; M195-Q200 HydrophobicContact CB-CG 4.18Å; M195-Q200 PolarHBondContact O-NE2 3.42Å; M195-I203 HydrophobicContact CE-CD1 4.19Å; M195-I203 HydrophobicContact CG-CD1 4.25Å; M195-Y238 HydrophobicContact CE-CD1 4.16Å; M195-Y238 HydrophobicContact CE-CE1 4.14Å; M195-I239 HydrophobicContact SD-CG2 4.39Å; M195-H242 HydrophobicContact CE-CB 3.44Å; M195-H242 VanDerWaalsContact CE-CB 3.44Å; M195-H242 HydrophobicContact SD-CB 4.47Å |
| 196 | G | 90.9 | Very high | 91.4 | Very high | 36 Ų | 36 | 63.7 Ų | 63.7 | 37% | 0.371 | 32% | 0.319 | S | S | . | . | trans | -76.6 | 166.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | R198 E199 Q200 | G196-R198 PolarHBondContact O-N 2.99Å; G196-E199 WeakPolarHBondContact CA-OE2 3.45Å; G196-E199 PolarHBondContact N-OE2 3.25Å; G196-E199 VanDerWaalsContact N-OE2 3.15Å; G196-E199 PolarHBondContact O-N 3.07Å; G196-E199 VanDerWaalsContact O-OE2 3.12Å; G196-Q200 VanDerWaalsContact O-CG 3.27Å; G196-Q200 WeakPolarHBondContact O-CG 3.3Å; G196-Q200 PolarHBondContact O-N 3.49Å | ||
| 197 | L | 91.6 | Very high | 91.4 | Very high | 126 Ų | 126 | 59.6 Ų | 59.6 | 66% | 0.66 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -55.8 | -37.6 | -176.8 | -177.1 | 63.4 | 0 | 0 | 0 | 112.2 | Q200 L201 | L197-Q200 PolarHBondContact O-N 2.76Å; L197-L201 HydrophobicContact CG-CD1 4.49Å; L197-L201 VanDerWaalsContact O-CG 3.3Å; L197-L201 WeakPolarHBondContact O-CG 3.46Å; L197-L201 PolarHBondContact O-N 3.02Å |
| 198 | R | 91.1 | Very high | 91.2 | Very high | 172 Ų | 172 | 61.8 Ų | 61.8 | 65% | 0.649 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -61.4 | -48.4 | 177.8 | 177.4 | 56.5 | -178.6 | -91.2 | 0.8 | 111.2 | G196 Q200 L201 D202 | G196-R198 PolarHBondContact O-N 2.99Å; R198-Q200 VanDerWaalsContact C-N 3.32Å; R198-Q200 PolarHBondContact O-N 2.8Å; R198-L201 PolarHBondContact O-N 3.37Å; R198-D202 IonicContact NE-OD1 3.45Å; R198-D202 IonicContact NE-OD2 3.4Å; R198-D202 PolarHBondContact O-N 2.98Å; R198-D202 VanDerWaalsContact O-N 3.08Å |
| 199 | E | 94.2 | Very high | 91.1 | Very high | 57 Ų | 57 | 63 Ų | 63 | 27% | 0.266 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -69.2 | -32.7 | -179.8 | -62.9 | 77.2 | -164 | 0 | 0 | 111.9 | M195 G196 D202 I203 Y238 H242 | M195-E199 HydrophobicContact CB-CB 4.02Å; M195-E199 HydrophobicContact CE-CB 3.55Å; M195-E199 HydrophobicContact CE-CG 3.99Å; G196-E199 WeakPolarHBondContact CA-OE2 3.45Å; G196-E199 PolarHBondContact N-OE2 3.25Å; G196-E199 VanDerWaalsContact N-OE2 3.15Å; G196-E199 PolarHBondContact O-N 3.07Å; G196-E199 VanDerWaalsContact O-OE2 3.12Å; E199-D202 PolarHBondContact O-N 3.38Å; E199-I203 VanDerWaalsContact O-CG1 3.3Å; E199-I203 WeakPolarHBondContact O-CG1 3.47Å; E199-I203 PolarHBondContact O-N 3.47Å; E199-Y238 HydrophobicContact CB-CE1 3.99Å; E199-Y238 HydrophobicContact CG-CE1 4.41Å; E199-H242 HydrophobicContact CG-CB 4.38Å |
| 200 | Q | 92.6 | Very high | 90.8 | Very high | 45 Ų | 45 | 60.2 Ų | 60.2 | 21% | 0.21 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.7 | -46.5 | 172.3 | -66.4 | 178.1 | 15.9 | 0 | 0 | 111 | V191 M195 G196 L197 R198 D202 I203 I204 | V191-Q200 HydrophobicContact CG1-CB 4.23Å; V191-Q200 HydrophobicContact CG1-CG 3.68Å; V191-Q200 PolarHBondContact O-NE2 3.45Å; M195-Q200 HydrophobicContact CB-CG 4.18Å; M195-Q200 PolarHBondContact O-NE2 3.42Å; G196-Q200 VanDerWaalsContact O-CG 3.27Å; G196-Q200 WeakPolarHBondContact O-CG 3.3Å; G196-Q200 PolarHBondContact O-N 3.49Å; L197-Q200 PolarHBondContact O-N 2.76Å; R198-Q200 VanDerWaalsContact C-N 3.32Å; R198-Q200 PolarHBondContact O-N 2.8Å; Q200-D202 VanDerWaalsContact C-N 3.32Å; Q200-D202 PolarHBondContact O-N 2.84Å; Q200-I203 PolarHBondContact O-N 3.24Å; Q200-I204 VanDerWaalsContact O-CG1 3.28Å; Q200-I204 WeakPolarHBondContact O-CG1 3.37Å; Q200-I204 PolarHBondContact O-N 3.34Å |
| 201 | L | 92.4 | Very high | 90.4 | Very high | 66 Ų | 66 | 59.1 Ų | 59.1 | 35% | 0.346 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.7 | -39.2 | 176.2 | -66.6 | 172.6 | 0 | 0 | 0 | 112.1 | L197 R198 I204 K205 I213 | L197-L201 HydrophobicContact CG-CD1 4.49Å; L197-L201 VanDerWaalsContact O-CG 3.3Å; L197-L201 WeakPolarHBondContact O-CG 3.46Å; L197-L201 PolarHBondContact O-N 3.02Å; R198-L201 PolarHBondContact O-N 3.37Å; L201-I204 HydrophobicContact CD2-CD1 4.49Å; L201-I204 PolarHBondContact O-N 2.91Å; L201-K205 WeakPolarHBondContact O-CB 3.27Å; L201-K205 PolarHBondContact O-N 3.35Å; L201-I213 HydrophobicContact CD2-CB 4.45Å; L201-I213 HydrophobicContact CD2-CD1 3.53Å; L201-I213 HydrophobicContact CD2-CG2 3.96Å |
| 202 | D | 93.1 | Very high | 90.1 | Very high | 54 Ų | 54 | 66.6 Ų | 66.6 | 29% | 0.289 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.8 | -41 | 175.9 | -65.5 | -32.8 | 0 | 0 | 0 | 111.4 | R198 E199 Q200 K205 I206 Y238 | R198-D202 IonicContact NE-OD1 3.45Å; R198-D202 IonicContact NE-OD2 3.4Å; R198-D202 PolarHBondContact O-N 2.98Å; R198-D202 VanDerWaalsContact O-N 3.08Å; E199-D202 PolarHBondContact O-N 3.38Å; Q200-D202 VanDerWaalsContact C-N 3.32Å; Q200-D202 PolarHBondContact O-N 2.84Å; D202-K205 WeakPolarHBondContact O-CB 3.5Å; D202-K205 PolarHBondContact O-N 2.88Å; D202-I206 WeakPolarHBondContact O-CG1 3.43Å; D202-I206 PolarHBondContact O-N 3.37Å; D202-Y238 HydrophobicContact CB-CE1 4.01Å; D202-Y238 WeakPolarHBondContact CB-OH 3.3Å; D202-Y238 PolarHBondContact OD2-OH 2.99Å |
| 203 | I | 93.8 | Very high | 90 | Very high | 5 Ų | 5 | 66.1 Ų | 66.1 | 3% | 0.026 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.4 | -44.7 | 174.7 | -70.4 | 168.7 | 0 | 0 | 0 | 111.1 | V191 M195 E199 Q200 K205 I206 I207 V235 Y238 I239 | V191-I203 HydrophobicContact CB-CD1 4.35Å; V191-I203 HydrophobicContact CG1-CD1 3.75Å; V191-I203 HydrophobicContact CG2-CD1 3.65Å; V191-I203 HydrophobicContact CG2-CG2 4.41Å; M195-I203 HydrophobicContact CE-CD1 4.19Å; M195-I203 HydrophobicContact CG-CD1 4.25Å; E199-I203 VanDerWaalsContact O-CG1 3.3Å; E199-I203 WeakPolarHBondContact O-CG1 3.47Å; E199-I203 PolarHBondContact O-N 3.47Å; Q200-I203 PolarHBondContact O-N 3.24Å; I203-K205 PolarHBondContact O-N 3.12Å; I203-I206 WeakPolarHBondContact O-CB 3.42Å; I203-I206 PolarHBondContact O-N 2.77Å; I203-I206 VanDerWaalsContact O-N 3.12Å; I203-I207 HydrophobicContact CG2-CD1 3.88Å; I203-I207 HydrophobicContact CG2-CG1 4.49Å; I203-I207 WeakPolarHBondContact O-CG1 3.04Å; I203-I207 PolarHBondContact O-N 2.72Å; I203-V235 HydrophobicContact CG2-CG1 3.9Å; I203-V235 HydrophobicContact CG2-CG2 4.14Å; I203-Y238 HydrophobicContact CD1-CD1 3.93Å; I203-Y238 HydrophobicContact CD1-CE1 4.38Å; I203-Y238 HydrophobicContact CG1-CD1 3.49Å; I203-Y238 VanDerWaalsContact CG1-CD1 3.49Å; I203-Y238 HydrophobicContact CG1-CE1 3.92Å; I203-Y238 HydrophobicContact CG1-CG 4.47Å; I203-I239 HydrophobicContact CD1-CD1 4.39Å; I203-I239 HydrophobicContact CD1-CG1 3.82Å |
| 204 | I | 92.3 | Very high | 89.8 | Confident | 21 Ų | 21 | 63.2 Ų | 63.2 | 11% | 0.108 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.1 | -43.2 | 175.6 | -67.6 | 166.4 | 0 | 0 | 0 | 109.7 | Q200 L201 I206 I207 D208 A211 I213 F220 | Q200-I204 VanDerWaalsContact O-CG1 3.28Å; Q200-I204 WeakPolarHBondContact O-CG1 3.37Å; Q200-I204 PolarHBondContact O-N 3.34Å; L201-I204 HydrophobicContact CD2-CD1 4.49Å; L201-I204 PolarHBondContact O-N 2.91Å; I204-I206 VanDerWaalsContact C-N 3.31Å; I204-I206 PolarHBondContact O-N 2.75Å; I204-I207 PolarHBondContact O-N 3.33Å; I204-I207 VanDerWaalsContact O-N 3.15Å; I204-D208 PolarHBondContact O-N 2.92Å; I204-A211 HydrophobicContact CG2-CB 4.16Å; I204-I213 HydrophobicContact CB-CD1 4.07Å; I204-I213 HydrophobicContact CD1-CD1 4.05Å; I204-I213 HydrophobicContact CG2-CD1 3.55Å; I204-I213 HydrophobicContact CG2-CG1 4.35Å; I204-F220 HydrophobicContact CB-CD1 4.39Å; I204-F220 HydrophobicContact CB-CE1 4.37Å; I204-F220 HydrophobicContact CD1-CB 3.64Å; I204-F220 HydrophobicContact CD1-CD1 4.12Å; I204-F220 HydrophobicContact CD1-CD2 4.21Å; I204-F220 HydrophobicContact CD1-CG 3.72Å; I204-F220 HydrophobicContact CG1-CB 4.15Å; I204-F220 HydrophobicContact CG1-CD1 3.63Å; I204-F220 HydrophobicContact CG1-CD2 4.29Å; I204-F220 HydrophobicContact CG1-CE1 4.07Å; I204-F220 HydrophobicContact CG1-CG 3.75Å; I204-F220 HydrophobicContact CG2-CD1 4.05Å; I204-F220 HydrophobicContact CG2-CD2 3.65Å; I204-F220 HydrophobicContact CG2-CE1 3.81Å; I204-F220 HydrophobicContact CG2-CE2 3.43Å; I204-F220 VanDerWaalsContact CG2-CE2 3.43Å; I204-F220 HydrophobicContact CG2-CG 3.97Å; I204-F220 HydrophobicContact CG2-CZ 3.52Å |
| 205 | K | 91.7 | Very high | 89.5 | Confident | 106 Ų | 106 | 67 Ų | 67 | 46% | 0.461 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.6 | -31.7 | 179.1 | -161.1 | 64.7 | 169.8 | 178.3 | 0 | 113.7 | L201 D202 I203 D208 P209 | L201-K205 WeakPolarHBondContact O-CB 3.27Å; L201-K205 PolarHBondContact O-N 3.35Å; D202-K205 WeakPolarHBondContact O-CB 3.5Å; D202-K205 PolarHBondContact O-N 2.88Å; I203-K205 PolarHBondContact O-N 3.12Å; K205-D208 CarbonylContact O-C 3.51Å; K205-P209 WeakPolarHBondContact CE-O 3.43Å; K205-P209 PolarHBondContact NZ-O 3.08Å; K205-P209 WeakPolarHBondContact O-CA 3.37Å |
| 206 | I | 91.3 | Very high | 89.5 | Confident | 41 Ų | 41 | 72.5 Ų | 72.5 | 21% | 0.21 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -68.5 | -41.2 | 173.3 | -67.8 | 164.5 | 0 | 0 | 0 | 110.6 | D202 I203 I204 Q234 V235 Y238 | D202-I206 WeakPolarHBondContact O-CG1 3.43Å; D202-I206 PolarHBondContact O-N 3.37Å; I203-I206 WeakPolarHBondContact O-CB 3.42Å; I203-I206 PolarHBondContact O-N 2.77Å; I203-I206 VanDerWaalsContact O-N 3.12Å; I204-I206 VanDerWaalsContact C-N 3.31Å; I204-I206 PolarHBondContact O-N 2.75Å; I206-Q234 HydrophobicContact CG2-CB 3.85Å; I206-V235 HydrophobicContact CB-CG2 4.32Å; I206-V235 HydrophobicContact CG2-CG2 3.79Å; I206-Y238 HydrophobicContact CD1-CD2 4.42Å; I206-Y238 HydrophobicContact CD1-CG 4.28Å |
| 207 | I | 91.2 | Very high | 89.3 | Confident | 1 Ų | 1 | 74.8 Ų | 74.8 | 1% | 0.005 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -72 | -51.3 | -178.2 | -64.8 | 172.3 | 0 | 0 | 0 | 110.3 | I203 I204 I222 C226 L227 K231 V235 | I203-I207 HydrophobicContact CG2-CD1 3.88Å; I203-I207 HydrophobicContact CG2-CG1 4.49Å; I203-I207 WeakPolarHBondContact O-CG1 3.04Å; I203-I207 PolarHBondContact O-N 2.72Å; I204-I207 PolarHBondContact O-N 3.33Å; I204-I207 VanDerWaalsContact O-N 3.15Å; I207-I222 HydrophobicContact CD1-CD1 3.96Å; I207-I222 HydrophobicContact CD1-CG1 4.25Å; I207-I222 HydrophobicContact CG2-CG2 4.14Å; I207-C226 HydrophobicContact CG2-CB 3.85Å; I207-L227 HydrophobicContact CD1-CD2 4.26Å; I207-L227 HydrophobicContact CG1-CD2 3.88Å; I207-L227 HydrophobicContact CG2-CD2 4.12Å; I207-L227 HydrophobicContact CG2-CG 4.38Å; I207-K231 WeakPolarHBondContact O-CE 3.22Å; I207-K231 PolarHBondContact O-NZ 3.08Å; I207-V235 HydrophobicContact CD1-CG2 4.33Å; I207-V235 HydrophobicContact CG1-CG2 3.89Å |
| 208 | D | 88.3 | Confident | 88.9 | Confident | 47 Ų | 47 | 74.5 Ų | 74.5 | 25% | 0.251 | 41% | 0.408 | S | S | . | . | trans | -131.7 | 100.2 | 176.7 | -176 | 7 | 0 | 0 | 0 | 110.8 | I204 K205 C210 A211 F220 | I204-D208 PolarHBondContact O-N 2.92Å; K205-D208 CarbonylContact O-C 3.51Å; D208-C210 PolarHBondContact O-N 3.32Å; D208-C210 WeakPolarHBondContact OD1-CB 3.22Å; D208-C210 PolarHBondContact OD1-N 3.25Å; D208-A211 HydrophobicContact CB-CB 3.99Å; D208-A211 WeakPolarHBondContact O-CB 3.25Å; D208-A211 PolarHBondContact O-N 3.5Å; D208-A211 PolarHBondContact OD1-N 2.88Å; D208-A211 PolarHBondContact OD2-N 3.01Å; D208-F220 HydrophobicContact CB-CZ 4.45Å | ||
| 209 | P | 87.8 | Confident | 88.7 | Confident | 73 Ų | 73 | 73.7 Ų | 73.7 | 47% | 0.474 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -18.3 | 178.5 | 28.6 | -34.6 | 0 | 0 | 0 | 112.6 | K205 | K205-P209 WeakPolarHBondContact CE-O 3.43Å; K205-P209 PolarHBondContact NZ-O 3.08Å; K205-P209 WeakPolarHBondContact O-CA 3.37Å |
| 210 | C | 83.5 | Confident | 88.2 | Confident | 100 Ų | 100 | 74.3 Ų | 74.3 | 68% | 0.676 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -7.5 | 179.6 | -67.3 | 0 | 0 | 0 | 0 | 112.9 | D208 Q212 | D208-C210 PolarHBondContact O-N 3.32Å; D208-C210 WeakPolarHBondContact OD1-CB 3.22Å; D208-C210 PolarHBondContact OD1-N 3.25Å; C210-Q212 PolarHBondContact O-N 3.3Å |
| 211 | A | 84.5 | Confident | 87.8 | Confident | 15 Ų | 15 | 78.3 Ų | 78.3 | 12% | 0.124 | 44% | 0.435 | C | S | . | . | trans | -57 | 128.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | I204 D208 F220 | I204-A211 HydrophobicContact CG2-CB 4.16Å; D208-A211 HydrophobicContact CB-CB 3.99Å; D208-A211 WeakPolarHBondContact O-CB 3.25Å; D208-A211 PolarHBondContact O-N 3.5Å; D208-A211 PolarHBondContact OD1-N 2.88Å; D208-A211 PolarHBondContact OD2-N 3.01Å; A211-F220 HydrophobicContact CB-CE2 4.07Å | ||
| 212 | Q | 85 | Confident | 87.5 | Confident | 172 Ų | 172 | 76.3 Ų | 76.3 | 80% | 0.804 | 43% | 0.425 | S | S | * | . | trans | -101.7 | 119.4 | 170.3 | -63 | -62.7 | -36.7 | 0 | 0 | 107 | C210 | C210-Q212 PolarHBondContact O-N 3.3Š| ||
| 213 | I | 87.3 | Confident | 87.2 | Confident | 69 Ų | 69 | 79.5 Ų | 79.5 | 35% | 0.354 | 44% | 0.438 | S | S | . | . | trans | -113.4 | 121.2 | -177.1 | -52.5 | 167.3 | 0 | 0 | 0 | 107.2 | L201 I204 D217 | L201-I213 HydrophobicContact CD2-CB 4.45Å; L201-I213 HydrophobicContact CD2-CD1 3.53Å; L201-I213 HydrophobicContact CD2-CG2 3.96Å; I204-I213 HydrophobicContact CB-CD1 4.07Å; I204-I213 HydrophobicContact CD1-CD1 4.05Å; I204-I213 HydrophobicContact CG2-CD1 3.55Å; I204-I213 HydrophobicContact CG2-CG1 4.35Å; I213-D217 WeakPolarHBondContact CA-OD2 3.33Å; I213-D217 HydrophobicContact CG2-CB 4.17Å | ||
| 214 | S | 84.8 | Confident | 86.8 | Confident | 46 Ų | 46 | 81.9 Ų | 81.9 | 32% | 0.322 | 45% | 0.45 | S | S | . | . | trans | -86.1 | 151.3 | 175.2 | 96.9 | 0 | 0 | 0 | 0 | 110.4 | T216 D217 | S214-T216 PolarHBondContact O-N 3.14Å; S214-T216 VanDerWaalsContact O-N 3.08Å; S214-T216 PolarHBondContact OG-N 3.35Å; S214-D217 WeakPolarHBondContact CB-OD1 3.41Å; S214-D217 PolarHBondContact N-OD2 2.99Å; S214-D217 WeakPolarHBondContact O-CB 3.44Å; S214-D217 PolarHBondContact O-N 2.9Å; S214-D217 PolarHBondContact OG-N 3.17Å; S214-D217 PolarHBondContact OG-OD1 2.91Å | ||
| 215 | P | 83.8 | Confident | 86.4 | Confident | 143 Ų | 143 | 87.9 Ų | 87.9 | 93% | 0.929 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -14.9 | 173.5 | -23.2 | 34.2 | 0 | 0 | 0 | 114.2 | ||
| 216 | T | 87.7 | Confident | 86.1 | Confident | 128 Ų | 128 | 84.1 Ų | 84.1 | 79% | 0.785 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -11.1 | 177.5 | -46.9 | 0 | 0 | 0 | 0 | 111.7 | S214 S218 | S214-T216 PolarHBondContact O-N 3.14Å; S214-T216 VanDerWaalsContact O-N 3.08Å; S214-T216 PolarHBondContact OG-N 3.35Å; T216-S218 PolarHBondContact O-N 3.15Å |
| 217 | D | 86.9 | Confident | 85.9 | Confident | 84 Ų | 84 | 82.5 Ų | 82.5 | 45% | 0.449 | 46% | 0.461 | S | S | . | . | trans | -73.8 | 116.6 | -178.1 | -61.1 | -8.3 | 0 | 0 | 0 | 109.9 | I213 S214 | I213-D217 WeakPolarHBondContact CA-OD2 3.33Å; I213-D217 HydrophobicContact CG2-CB 4.17Å; S214-D217 WeakPolarHBondContact CB-OD1 3.41Å; S214-D217 PolarHBondContact N-OD2 2.99Å; S214-D217 WeakPolarHBondContact O-CB 3.44Å; S214-D217 PolarHBondContact O-N 2.9Å; S214-D217 PolarHBondContact OG-N 3.17Å; S214-D217 PolarHBondContact OG-OD1 2.91Å | ||
| 218 | S | 83.9 | Confident | 85.9 | Confident | 120 Ų | 120 | 85 Ų | 85 | 84% | 0.839 | 48% | 0.477 | S | S | * | . | trans | -94.8 | -15.4 | 178.1 | 57.3 | 0 | 0 | 0 | 0 | 113.6 | T216 | T216-S218 PolarHBondContact O-N 3.15Š| ||
| 219 | E | 86.1 | Confident | 86 | Confident | 154 Ų | 154 | 85.1 Ų | 85.1 | 72% | 0.72 | 48% | 0.477 | S | S | * | . | trans | -142.1 | 148.4 | -177 | 62.7 | -179.5 | -165.8 | 0 | 0 | 111.8 | ||||
| 220 | F | 83.4 | Confident | 86.3 | Confident | 71 Ų | 71 | 87.4 Ų | 87.4 | 31% | 0.311 | 48% | 0.482 | S | S | . | . | trans | -123.6 | 123.7 | 174.6 | 179.6 | -100.8 | 0 | 0 | 0 | 109.4 | I204 D208 A211 I222 | I204-F220 HydrophobicContact CB-CD1 4.39Å; I204-F220 HydrophobicContact CB-CE1 4.37Å; I204-F220 HydrophobicContact CD1-CB 3.64Å; I204-F220 HydrophobicContact CD1-CD1 4.12Å; I204-F220 HydrophobicContact CD1-CD2 4.21Å; I204-F220 HydrophobicContact CD1-CG 3.72Å; I204-F220 HydrophobicContact CG1-CB 4.15Å; I204-F220 HydrophobicContact CG1-CD1 3.63Å; I204-F220 HydrophobicContact CG1-CD2 4.29Å; I204-F220 HydrophobicContact CG1-CE1 4.07Å; I204-F220 HydrophobicContact CG1-CG 3.75Å; I204-F220 HydrophobicContact CG2-CD1 4.05Å; I204-F220 HydrophobicContact CG2-CD2 3.65Å; I204-F220 HydrophobicContact CG2-CE1 3.81Å; I204-F220 HydrophobicContact CG2-CE2 3.43Å; I204-F220 VanDerWaalsContact CG2-CE2 3.43Å; I204-F220 HydrophobicContact CG2-CG 3.97Å; I204-F220 HydrophobicContact CG2-CZ 3.52Å; D208-F220 HydrophobicContact CB-CZ 4.45Å; A211-F220 HydrophobicContact CB-CE2 4.07Å; F220-I222 HydrophobicContact CD1-CG1 3.77Å; F220-I222 HydrophobicContact CE1-CG1 3.7Å | ||
| 221 | I | 85.4 | Confident | 86.7 | Confident | 128 Ų | 128 | 85.2 Ų | 85.2 | 66% | 0.656 | 46% | 0.461 | S | S | * | . | trans | -92.3 | 121.5 | 179.6 | -58.5 | 173.9 | 0 | 0 | 0 | 108.5 | ||||
| 222 | I | 86.4 | Confident | 87.1 | Confident | 24 Ų | 24 | 84.6 Ų | 84.6 | 12% | 0.123 | 46% | 0.455 | C | S | . | . | trans | -91.8 | 105 | 175.7 | -58.7 | 164.2 | 0 | 0 | 0 | 108.2 | I184 I207 F220 L227 | I184-I222 HydrophobicContact CD1-CG2 4.34Å; I184-I222 HydrophobicContact CG1-CG2 4.31Å; I184-I222 HydrophobicContact CG2-CB 3.94Å; I184-I222 HydrophobicContact CG2-CD1 4.5Å; I184-I222 HydrophobicContact CG2-CG2 4.26Å; I207-I222 HydrophobicContact CD1-CD1 3.96Å; I207-I222 HydrophobicContact CD1-CG1 4.25Å; I207-I222 HydrophobicContact CG2-CG2 4.14Å; F220-I222 HydrophobicContact CD1-CG1 3.77Å; F220-I222 HydrophobicContact CE1-CG1 3.7Å; I222-L227 HydrophobicContact CG2-CD1 3.85Å; I222-L227 HydrophobicContact CG2-CG 4.11Å | ||
| 223 | E | 86.3 | Confident | 87.4 | Confident | 122 Ų | 122 | 83 Ų | 83 | 57% | 0.57 | 45% | 0.445 | S | S | * | . | trans | -69.2 | 144.6 | 170.6 | -61.1 | -176.9 | -173.5 | 0 | 0 | 111 | N225 C226 | E223-N225 PolarHBondContact O-N 3.01Å; E223-N225 VanDerWaalsContact O-N 3.15Å; E223-C226 WeakPolarHBondContact O-CB 3.32Å; E223-C226 PolarHBondContact O-N 3.02Å | ||
| 224 | L | 85.2 | Confident | 87.6 | Confident | 54 Ų | 54 | 84.8 Ų | 84.8 | 28% | 0.283 | 45% | 0.452 | S | S | . | . | G | 310 helix | trans | -57.2 | -33.6 | 179.8 | -83.7 | 69.8 | 0 | 0 | 0 | 112.6 | N177 V181 I184 C226 | N177-L224 WeakPolarHBondContact ND2-CD2 3.32Å; V181-L224 HydrophobicContact CG2-CD1 4.22Å; V181-L224 HydrophobicContact CG2-CD2 3.97Å; I184-L224 HydrophobicContact CD1-CB 4.46Å; I184-L224 HydrophobicContact CD1-CD1 3.77Å; I184-L224 HydrophobicContact CD1-CG 3.81Å; L224-C226 VanDerWaalsContact C-N 3.26Å; L224-C226 PolarHBondContact O-N 3.49Å |
| 225 | N | 84.8 | Confident | 88 | Confident | 148 Ų | 148 | 82.6 Ų | 82.6 | 79% | 0.791 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -75.1 | -15.3 | -178.2 | -61.2 | -36.6 | 0 | 0 | 0 | 113.1 | E223 L227 | E223-N225 PolarHBondContact O-N 3.01Å; E223-N225 VanDerWaalsContact O-N 3.15Å; N225-L227 VanDerWaalsContact C-N 3.32Å |
| 226 | C | 84.6 | Confident | 88.4 | Confident | 26 Ų | 26 | 77.6 Ų | 77.6 | 18% | 0.176 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -78.5 | -19.1 | -179.1 | -67.8 | 0 | 0 | 0 | 0 | 112.3 | I207 E223 L224 K231 | I207-C226 HydrophobicContact CG2-CB 3.85Å; E223-C226 WeakPolarHBondContact O-CB 3.32Å; E223-C226 PolarHBondContact O-N 3.02Å; L224-C226 VanDerWaalsContact C-N 3.26Å; L224-C226 PolarHBondContact O-N 3.49Å; C226-K231 WeakPolarHBondContact O-CD 3.27Å; C226-K231 PolarHBondContact O-NZ 3.19Å |
| 227 | L | 87.2 | Confident | 88.6 | Confident | 7 Ų | 7 | 73.9 Ų | 73.9 | 4% | 0.037 | 38% | 0.375 | C | S | . | . | trans | -96.5 | 133.9 | -179.1 | -74.3 | 171.6 | 0 | 0 | 0 | 112.3 | W172 I184 I207 I222 N225 K231 L232 | W172-L227 HydrophobicContact CD2-CB 4.04Å; W172-L227 HydrophobicContact CE3-CB 4.46Å; W172-L227 HydrophobicContact CE3-CD1 4.37Å; W172-L227 HydrophobicContact CH2-CB 4.27Å; W172-L227 HydrophobicContact CH2-CD1 3.68Å; W172-L227 HydrophobicContact CZ2-CB 3.79Å; W172-L227 HydrophobicContact CZ2-CD1 4.05Å; W172-L227 HydrophobicContact CZ3-CD1 3.83Å; W172-L227 PolarHBondContact NE1-O 3.38Å; W172-L227 VanDerWaalsContact NE1-O 3.1Å; I184-L227 HydrophobicContact CD1-CD1 4.16Å; I184-L227 HydrophobicContact CG1-CD1 3.75Å; I207-L227 HydrophobicContact CD1-CD2 4.26Å; I207-L227 HydrophobicContact CG1-CD2 3.88Å; I207-L227 HydrophobicContact CG2-CD2 4.12Å; I207-L227 HydrophobicContact CG2-CG 4.38Å; I222-L227 HydrophobicContact CG2-CD1 3.85Å; I222-L227 HydrophobicContact CG2-CG 4.11Å; N225-L227 VanDerWaalsContact C-N 3.32Å; L227-K231 HydrophobicContact CD2-CB 4.47Å; L227-L232 HydrophobicContact CD1-CD1 4.42Å; L227-L232 HydrophobicContact CD2-CD1 4.33Å | ||
| 228 | T | 91 | Very high | 88.9 | Confident | 55 Ų | 55 | 71.8 Ų | 71.8 | 34% | 0.337 | 36% | 0.361 | S | S | . | . | trans | -123.4 | 169 | 169 | 72.2 | 0 | 0 | 0 | 0 | 109.6 | E230 K231 L232 | T228-E230 PolarHBondContact O-N 3.13Å; T228-E230 PolarHBondContact OG1-OE2 2.83Å; T228-K231 HydrophobicContact CG2-CD 4.47Å; T228-K231 PolarHBondContact O-N 3.03Å; T228-K231 PolarHBondContact OG1-N 2.6Å; T228-L232 WeakPolarHBondContact O-CB 3.05Å; T228-L232 PolarHBondContact O-N 2.91Å | ||
| 229 | D | 91.3 | Very high | 89.3 | Confident | 48 Ų | 48 | 66.5 Ų | 66.5 | 26% | 0.257 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -53.6 | -42.3 | 176.4 | -73.5 | -30.3 | 0 | 0 | 0 | 112.1 | P171 W172 S173 K233 | P171-D229 WeakPolarHBondContact CB-OD1 3.28Å; W172-D229 VanDerWaalsContact CA-OD1 3.24Å; W172-D229 WeakPolarHBondContact CA-OD1 3.46Å; W172-D229 WeakPolarHBondContact CB-OD1 3.27Å; W172-D229 PolarHBondContact N-OD1 2.93Å; S173-D229 VanDerWaalsContact CB-OD2 3.31Å; S173-D229 WeakPolarHBondContact CB-OD2 3.38Å; S173-D229 PolarHBondContact N-OD1 3.49Å; S173-D229 PolarHBondContact OG-OD1 3.47Å; S173-D229 PolarHBondContact OG-OD2 3.02Å; D229-K233 WeakPolarHBondContact O-CB 3.15Å; D229-K233 PolarHBondContact O-N 3.29Å |
| 230 | E | 93.3 | Very high | 89.5 | Confident | 122 Ų | 122 | 65.5 Ų | 65.5 | 57% | 0.57 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -67.8 | -46.9 | 180 | -64.7 | 67.7 | -146.3 | 0 | 0 | 111.5 | T228 K233 Q234 | T228-E230 PolarHBondContact O-N 3.13Å; T228-E230 PolarHBondContact OG1-OE2 2.83Å; E230-K233 PolarHBondContact O-N 3.23Å; E230-Q234 WeakPolarHBondContact O-CG 3.3Å; E230-Q234 PolarHBondContact O-N 2.98Å |
| 231 | K | 92.5 | Very high | 89.8 | Confident | 54 Ų | 54 | 68.7 Ų | 68.7 | 24% | 0.235 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 178.7 | -68.2 | 178.7 | 178.7 | -173.4 | 0 | 110.7 | I207 C226 L227 T228 K233 Q234 V235 | I207-K231 WeakPolarHBondContact O-CE 3.22Å; I207-K231 PolarHBondContact O-NZ 3.08Å; C226-K231 WeakPolarHBondContact O-CD 3.27Å; C226-K231 PolarHBondContact O-NZ 3.19Å; L227-K231 HydrophobicContact CD2-CB 4.47Å; T228-K231 HydrophobicContact CG2-CD 4.47Å; T228-K231 PolarHBondContact O-N 3.03Å; T228-K231 PolarHBondContact OG1-N 2.6Å; K231-K233 VanDerWaalsContact C-N 3.32Å; K231-K233 PolarHBondContact O-N 3.25Å; K231-Q234 WeakPolarHBondContact O-CB 3.46Å; K231-Q234 PolarHBondContact O-N 3Å; K231-V235 VanDerWaalsContact O-CG2 3.3Å; K231-V235 WeakPolarHBondContact O-CG2 3.47Å; K231-V235 PolarHBondContact O-N 3.32Å |
| 232 | L | 91.5 | Very high | 89.9 | Confident | 2 Ų | 2 | 66.4 Ų | 66.4 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61 | -42.6 | 178.2 | -163.7 | 67.1 | 0 | 0 | 0 | 111.7 | W172 Y183 L187 L227 T228 V235 R236 | W172-L232 HydrophobicContact CB-CD2 3.86Å; W172-L232 HydrophobicContact CD2-CD2 4.4Å; W172-L232 HydrophobicContact CE3-CD1 4.21Å; W172-L232 HydrophobicContact CE3-CD2 3.74Å; Y183-L232 HydrophobicContact CD1-CD1 3.96Å; Y183-L232 HydrophobicContact CE1-CD1 3.47Å; Y183-L232 VanDerWaalsContact CE1-CD1 3.47Å; Y183-L232 HydrophobicContact CE1-CD2 4.26Å; Y183-L232 HydrophobicContact CE1-CG 4.19Å; L187-L232 HydrophobicContact CD2-CD1 4.34Å; L227-L232 HydrophobicContact CD1-CD1 4.42Å; L227-L232 HydrophobicContact CD2-CD1 4.33Å; T228-L232 WeakPolarHBondContact O-CB 3.05Å; T228-L232 PolarHBondContact O-N 2.91Å; L232-V235 PolarHBondContact O-N 3.01Å; L232-R236 WeakPolarHBondContact O-CB 3.3Å; L232-R236 VanDerWaalsContact O-CG 3.3Å; L232-R236 WeakPolarHBondContact O-CG 3.38Å; L232-R236 PolarHBondContact O-N 2.87Å |
| 233 | K | 91.9 | Very high | 89.5 | Confident | 138 Ų | 138 | 65.7 Ų | 65.7 | 60% | 0.6 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -63.4 | -42.9 | 175.3 | -175.8 | 179.4 | -179.8 | -179.5 | 0 | 111.9 | D229 E230 K231 R236 N237 | D229-K233 WeakPolarHBondContact O-CB 3.15Å; D229-K233 PolarHBondContact O-N 3.29Å; E230-K233 PolarHBondContact O-N 3.23Å; K231-K233 VanDerWaalsContact C-N 3.32Å; K231-K233 PolarHBondContact O-N 3.25Å; K233-R236 PolarHBondContact O-N 2.83Å; K233-N237 WeakPolarHBondContact O-CB 3.37Å; K233-N237 PolarHBondContact O-N 3.42Å; K233-N237 PolarHBondContact O-OD1 3.09Å |
| 234 | Q | 92.6 | Very high | 88.4 | Confident | 106 Ų | 106 | 64.7 Ų | 64.7 | 50% | 0.495 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.7 | -46.6 | 175.8 | -74.4 | 178.6 | 16.1 | 0 | 0 | 111.2 | I206 E230 K231 R236 N237 Y238 | I206-Q234 HydrophobicContact CG2-CB 3.85Å; E230-Q234 WeakPolarHBondContact O-CG 3.3Å; E230-Q234 PolarHBondContact O-N 2.98Å; K231-Q234 WeakPolarHBondContact O-CB 3.46Å; K231-Q234 PolarHBondContact O-N 3Å; Q234-R236 PolarHBondContact O-N 3.38Å; Q234-N237 PolarHBondContact O-N 3.31Å; Q234-Y238 WeakPolarHBondContact O-CB 3.08Å; Q234-Y238 PolarHBondContact O-N 2.91Å |
| 235 | V | 92.6 | Very high | 87 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.9 | -46 | 177.1 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | L187 I203 I206 I207 K231 L232 N237 Y238 I239 | L187-V235 HydrophobicContact CD1-CG1 3.81Å; L187-V235 HydrophobicContact CD2-CG1 4.16Å; L187-V235 HydrophobicContact CG-CG1 4.49Å; I203-V235 HydrophobicContact CG2-CG1 3.9Å; I203-V235 HydrophobicContact CG2-CG2 4.14Å; I206-V235 HydrophobicContact CB-CG2 4.32Å; I206-V235 HydrophobicContact CG2-CG2 3.79Å; I207-V235 HydrophobicContact CD1-CG2 4.33Å; I207-V235 HydrophobicContact CG1-CG2 3.89Å; K231-V235 VanDerWaalsContact O-CG2 3.3Å; K231-V235 WeakPolarHBondContact O-CG2 3.47Å; K231-V235 PolarHBondContact O-N 3.32Å; L232-V235 PolarHBondContact O-N 3.01Å; V235-N237 VanDerWaalsContact C-N 3.34Å; V235-N237 PolarHBondContact O-N 2.98Å; V235-Y238 PolarHBondContact O-N 2.95Å; V235-I239 HydrophobicContact CG1-CD1 3.68Å; V235-I239 HydrophobicContact CG1-CG1 4.33Å; V235-I239 WeakPolarHBondContact O-CB 3.34Å; V235-I239 VanDerWaalsContact O-CG1 3.27Å; V235-I239 WeakPolarHBondContact O-CG1 3.44Å; V235-I239 PolarHBondContact O-N 3.33Å |
| 236 | R | 91.6 | Very high | 85.4 | Confident | 39 Ų | 39 | 70.7 Ų | 70.7 | 15% | 0.147 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.9 | -42.7 | 176 | -74.4 | 177.1 | -175.2 | 165.5 | 8.3 | 112.4 | M167 D168 L170 Y183 L232 K233 Q234 R240 | M167-R236 PolarHBondContact O-NH2 3.11Å; D168-R236 VanDerWaalsContact C-NH1 3.34Å; D168-R236 WeakPolarHBondContact O-CD 3.24Å; D168-R236 PolarHBondContact O-NE 3.45Å; D168-R236 PolarHBondContact O-NH1 3.33Å; L170-R236 PolarHBondContact O-NH1 3.48Å; L170-R236 PolarHBondContact O-NH2 3.25Å; L170-R236 VanDerWaalsContact O-NH2 3.08Å; Y183-R236 PolarHBondContact OH-NE 2.74Å; L232-R236 WeakPolarHBondContact O-CB 3.3Å; L232-R236 VanDerWaalsContact O-CG 3.3Å; L232-R236 WeakPolarHBondContact O-CG 3.38Å; L232-R236 PolarHBondContact O-N 2.87Å; K233-R236 PolarHBondContact O-N 2.83Å; Q234-R236 PolarHBondContact O-N 3.38Å; R236-R240 WeakPolarHBondContact O-CB 3.38Å; R236-R240 PolarHBondContact O-N 3.25Å |
| 237 | N | 92.2 | Very high | 83.4 | Confident | 50 Ų | 50 | 80.7 Ų | 80.7 | 27% | 0.267 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.3 | -45.4 | 176.5 | -71.1 | -6.5 | 0 | 0 | 0 | 111 | K233 Q234 V235 I239 R240 E241 | K233-N237 WeakPolarHBondContact O-CB 3.37Å; K233-N237 PolarHBondContact O-N 3.42Å; K233-N237 PolarHBondContact O-OD1 3.09Å; Q234-N237 PolarHBondContact O-N 3.31Å; V235-N237 VanDerWaalsContact C-N 3.34Å; V235-N237 PolarHBondContact O-N 2.98Å; N237-I239 PolarHBondContact O-N 3.39Å; N237-R240 PolarHBondContact O-N 3.32Å; N237-R240 VanDerWaalsContact O-N 3.15Å; N237-R240 PolarHBondContact OD1-NH2 3.49Å; N237-E241 WeakPolarHBondContact O-CG 3.44Å; N237-E241 PolarHBondContact O-N 2.9Å |
| 238 | Y | 93.6 | Very high | 81.3 | Confident | 39 Ų | 39 | 84.3 Ų | 84.3 | 15% | 0.153 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60.7 | -47.4 | 179.9 | -167.8 | -100.9 | 0 | 0 | 0 | 111.8 | M195 E199 D202 I203 I206 Q234 V235 R240 E241 H242 | M195-Y238 HydrophobicContact CE-CD1 4.16Å; M195-Y238 HydrophobicContact CE-CE1 4.14Å; E199-Y238 HydrophobicContact CB-CE1 3.99Å; E199-Y238 HydrophobicContact CG-CE1 4.41Å; D202-Y238 HydrophobicContact CB-CE1 4.01Å; D202-Y238 WeakPolarHBondContact CB-OH 3.3Å; D202-Y238 PolarHBondContact OD2-OH 2.99Å; I203-Y238 HydrophobicContact CD1-CD1 3.93Å; I203-Y238 HydrophobicContact CD1-CE1 4.38Å; I203-Y238 HydrophobicContact CG1-CD1 3.49Å; I203-Y238 VanDerWaalsContact CG1-CD1 3.49Å; I203-Y238 HydrophobicContact CG1-CE1 3.92Å; I203-Y238 HydrophobicContact CG1-CG 4.47Å; I206-Y238 HydrophobicContact CD1-CD2 4.42Å; I206-Y238 HydrophobicContact CD1-CG 4.28Å; Q234-Y238 WeakPolarHBondContact O-CB 3.08Å; Q234-Y238 PolarHBondContact O-N 2.91Å; V235-Y238 PolarHBondContact O-N 2.95Å; Y238-R240 VanDerWaalsContact C-N 3.32Å; Y238-R240 PolarHBondContact O-N 2.95Å; Y238-E241 PolarHBondContact O-N 2.76Å; Y238-H242 AromaticContact CD2-CE1 3.63Å; Y238-H242 AromaticContact CD2-ND1 3.67Å; Y238-H242 AromaticContact CE2-CE1 3.25Å; Y238-H242 WeakPolarHBondContact CE2-CE1 3.44Å; Y238-H242 AromaticContact CE2-ND1 3.57Å; Y238-H242 AromaticContact CE2-NE2 3.82Å; Y238-H242 AromaticContact CG-ND1 3.97Å; Y238-H242 AromaticContact CZ-CE1 3.74Å; Y238-H242 AromaticContact CZ-ND1 3.81Å; Y238-H242 AromaticContact CZ-NE2 3.98Å; Y238-H242 WeakPolarHBondContact O-CB 3.37Å; Y238-H242 PolarHBondContact O-N 3.21Å; Y238-H242 PolarHBondContact O-ND1 3.28Å |
| 239 | I | 91.3 | Very high | 78.7 | Confident | 9 Ų | 9 | 85.6 Ų | 85.6 | 5% | 0.046 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -59.7 | -43.6 | 174.4 | -66.8 | 167.3 | 0 | 0 | 0 | 110.4 | L187 K190 V191 M195 I203 V235 N237 E241 H242 S243 | L187-I239 HydrophobicContact CD1-CD1 3.55Å; K190-I239 HydrophobicContact CD-CG2 4.38Å; V191-I239 HydrophobicContact CG2-CD1 3.62Å; V191-I239 HydrophobicContact CG2-CG1 4.18Å; M195-I239 HydrophobicContact SD-CG2 4.39Å; I203-I239 HydrophobicContact CD1-CD1 4.39Å; I203-I239 HydrophobicContact CD1-CG1 3.82Å; V235-I239 HydrophobicContact CG1-CD1 3.68Å; V235-I239 HydrophobicContact CG1-CG1 4.33Å; V235-I239 WeakPolarHBondContact O-CB 3.34Å; V235-I239 VanDerWaalsContact O-CG1 3.27Å; V235-I239 WeakPolarHBondContact O-CG1 3.44Å; V235-I239 PolarHBondContact O-N 3.33Å; N237-I239 PolarHBondContact O-N 3.39Å; I239-E241 VanDerWaalsContact C-N 3.33Å; I239-E241 PolarHBondContact O-N 2.83Å; I239-H242 PolarHBondContact O-N 3.08Å; I239-S243 WeakPolarHBondContact O-CA 3.26Å; I239-S243 WeakPolarHBondContact O-CB 3.29Å; I239-S243 PolarHBondContact O-N 3.19Å |
| 240 | R | 90.1 | Very high | 76.4 | Confident | 134 Ų | 134 | 88.3 Ų | 88.3 | 51% | 0.506 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.5 | -35.6 | 179.4 | -176.8 | 173.1 | 57.7 | -134.1 | -9.2 | 112.8 | R236 N237 Y238 | R236-R240 WeakPolarHBondContact O-CB 3.38Å; R236-R240 PolarHBondContact O-N 3.25Å; N237-R240 PolarHBondContact O-N 3.32Å; N237-R240 VanDerWaalsContact O-N 3.15Å; N237-R240 PolarHBondContact OD1-NH2 3.49Å; Y238-R240 VanDerWaalsContact C-N 3.32Å; Y238-R240 PolarHBondContact O-N 2.95Å |
| 241 | E | 90.4 | Very high | 73.9 | Confident | 137 Ų | 137 | 88.7 Ų | 88.7 | 64% | 0.64 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -75.1 | -34.7 | 179.5 | -74.3 | 173.5 | -167.8 | 0 | 0 | 112.6 | N237 Y238 I239 | N237-E241 WeakPolarHBondContact O-CG 3.44Å; N237-E241 PolarHBondContact O-N 2.9Å; Y238-E241 PolarHBondContact O-N 2.76Å; I239-E241 VanDerWaalsContact C-N 3.33Å; I239-E241 PolarHBondContact O-N 2.83Å |
| 242 | H | 87.1 | Confident | 71.7 | Confident | 81 Ų | 81 | 94.1 Ų | 94.1 | 38% | 0.375 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -104 | -5.2 | -174.8 | -63.7 | 78 | 0 | 0 | 0 | 113.5 | M195 E199 Y238 I239 P244 | M195-H242 HydrophobicContact CE-CB 3.44Å; M195-H242 VanDerWaalsContact CE-CB 3.44Å; M195-H242 HydrophobicContact SD-CB 4.47Å; E199-H242 HydrophobicContact CG-CB 4.38Å; Y238-H242 AromaticContact CD2-CE1 3.63Å; Y238-H242 AromaticContact CD2-ND1 3.67Å; Y238-H242 AromaticContact CE2-CE1 3.25Å; Y238-H242 WeakPolarHBondContact CE2-CE1 3.44Å; Y238-H242 AromaticContact CE2-ND1 3.57Å; Y238-H242 AromaticContact CE2-NE2 3.82Å; Y238-H242 AromaticContact CG-ND1 3.97Å; Y238-H242 AromaticContact CZ-CE1 3.74Å; Y238-H242 AromaticContact CZ-ND1 3.81Å; Y238-H242 AromaticContact CZ-NE2 3.98Å; Y238-H242 WeakPolarHBondContact O-CB 3.37Å; Y238-H242 PolarHBondContact O-N 3.21Å; Y238-H242 PolarHBondContact O-ND1 3.28Å; I239-H242 PolarHBondContact O-N 3.08Å; H242-P244 WeakPolarHBondContact O-CD 3.43Å |
| 243 | S | 79 | Confident | 69.1 | Low | 9 Ų | 9 | 101.4 Ų | 101.4 | 6% | 0.063 | 49% | 0.492 | C | S | . | . | trans | -65.5 | 123.4 | 175.9 | 179.6 | 0 | 0 | 0 | 0 | 109.5 | E194 I239 R245 L246 | E194-S243 PolarHBondContact OE2-OG 3.26Å; I239-S243 WeakPolarHBondContact O-CA 3.26Å; I239-S243 WeakPolarHBondContact O-CB 3.29Å; I239-S243 PolarHBondContact O-N 3.19Å; S243-R245 PolarHBondContact O-N 2.9Å; S243-L246 PolarHBondContact O-N 3.19Å | ||
| 244 | P | 62.6 | Low | 66.6 | Low | 101 Ų | 101 | 100.8 Ų | 100.8 | 66% | 0.656 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -12.8 | -175.8 | 23 | -31.4 | 0 | 0 | 0 | 113.2 | E194 H242 | E194-P244 WeakPolarHBondContact O-CD 3.33Å; H242-P244 WeakPolarHBondContact O-CD 3.43Å |
| 245 | R | 56 | Low | 64 | Low | 214 Ų | 214 | 104.7 Ų | 104.7 | 81% | 0.808 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -16.5 | -175.3 | -66.1 | -164.1 | 179.2 | 170.9 | 4.7 | 114.9 | S243 | S243-R245 PolarHBondContact O-N 2.9Š|
| 246 | L | 50.3 | Low | 61.7 | Low | 113 Ų | 113 | 113.9 Ų | 113.9 | 59% | 0.592 | 56% | 0.555 | S | S | * | * | trans | -131.7 | 70.6 | -178.7 | -65.1 | 173.9 | 0 | 0 | 0 | 108.6 | S243 P248 | S243-L246 PolarHBondContact O-N 3.19Å; L246-P248 WeakPolarHBondContact O-CD 3.31Å | ||
| 247 | R | 43.3 | Very low | 59.2 | Low | 236 Ų | 236 | 122 Ų | 122 | 89% | 0.891 | 59% | 0.586 | S | S | * | * | trans | -61.6 | 103.8 | 151.5 | -87.2 | -106 | -97.3 | 171.2 | -10 | 106.1 | C249 | R247-C249 PolarHBondContact O-N 3.5Š| ||
| 248 | P | 43 | Very low | 56.6 | Low | 83 Ų | 83 | 125.9 Ų | 125.9 | 54% | 0.539 | 62% | 0.617 | S | S | . | * | trans | -71.2 | 126.9 | 166.3 | -0.6 | 23.4 | 0 | 0 | 0 | 103.6 | L246 S250 | L246-P248 WeakPolarHBondContact O-CD 3.31Å; P248-S250 PolarHBondContact O-N 2.69Å | ||
| 249 | C | 36.9 | Very low | 53.9 | Low | 82 Ų | 82 | 126 Ų | 126 | 55% | 0.554 | 63% | 0.63 | S | S | * | * | trans | -66.9 | 65.1 | 162.7 | -166.6 | 0 | 0 | 0 | 0 | 107.9 | R247 T251 | R247-C249 PolarHBondContact O-N 3.5Å; C249-T251 PolarHBondContact O-N 2.9Å | ||
| 250 | S | 42.9 | Very low | 51.3 | Low | 106 Ų | 106 | 133.9 Ų | 133.9 | 74% | 0.741 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | 18.2 | -174.7 | -168.8 | 0 | 0 | 0 | 0 | 112.8 | P248 | P248-S250 PolarHBondContact O-N 2.69Š|
| 251 | T | 41.2 | Very low | 48.9 | Very low | 130 Ų | 130 | 132.8 Ų | 132.8 | 80% | 0.798 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125 | 10.5 | 176.8 | 46.2 | 0 | 0 | 0 | 0 | 113.5 | C249 | C249-T251 PolarHBondContact O-N 2.9Š|
| 252 | R | 45.1 | Very low | 46.2 | Very low | 168 Ų | 168 | 131.7 Ų | 131.7 | 63% | 0.634 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -107.9 | 5.1 | -180 | -97.1 | -173.7 | 74 | -165.2 | 2.4 | 118.5 | W255 | R252-W255 PolarHBondContact O-NE1 3.27Š|
| 253 | D | 38.5 | Very low | 43.5 | Very low | 155 Ų | 155 | 132.2 Ų | 132.2 | 83% | 0.829 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -123.3 | 19.1 | -179.5 | -64 | -57.3 | 0 | 0 | 0 | 116.4 | W255 | D253-W255 PolarHBondContact O-N 2.9Š|
| 254 | S | 37.9 | Very low | 41.3 | Very low | 125 Ų | 125 | 137.2 Ų | 137.2 | 87% | 0.874 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -93.7 | 28 | 176.2 | -153.1 | 0 | 0 | 0 | 0 | 115.9 | ||
| 255 | W | 39.1 | Very low | 39.9 | Very low | 188 Ų | 188 | 140.2 Ų | 140.2 | 71% | 0.712 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -138.7 | 12.9 | -172.7 | 45.4 | -49.3 | 0 | 0 | 0 | 114.9 | R252 D253 | R252-W255 PolarHBondContact O-NE1 3.27Å; D253-W255 PolarHBondContact O-N 2.9Å |
| 256 | K | 42.7 | Very low | 38.8 | Very low | 192 Ų | 192 | 135.9 Ų | 135.9 | 84% | 0.835 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -126.2 | 94.2 | 171 | -72.3 | -89.2 | 176.1 | 176.7 | 0 | 111.1 | ||
| 257 | R | 39.9 | Very low | 38 | Very low | 211 Ų | 211 | 133.7 Ų | 133.7 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | trans | 85.7 | 83.9 | 138.9 | -156.1 | 179.6 | -81.4 | -98.1 | 5.6 | 116.9 | ||||
| 258 | S | 38.2 | Very low | 37.8 | Very low | 130 Ų | 130 | 129.7 Ų | 129.7 | 91% | 0.909 | 76% | 0.759 | S | S | * | * | trans | -57.8 | 131.4 | 134.5 | -72.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 259 | G | 36.3 | Very low | 37.7 | Very low | 42 Ų | 42 | 131.8 Ų | 131.8 | 43% | 0.433 | 78% | 0.776 | S | S | . | * | trans | 170.2 | 92.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 260 | H | 37.9 | Very low | 37.5 | Very low | 174 Ų | 174 | 131.5 Ų | 131.5 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | trans | 58.9 | 124.9 | 148.4 | 55.5 | 64.7 | 0 | 0 | 0 | 121.4 | ||||
| 261 | S | 38.5 | Very low | 37.1 | Very low | 112 Ų | 112 | 131.7 Ų | 131.7 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | trans | -55.1 | 173.5 | 170.9 | -39.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 262 | S | 32.8 | Very low | 36.9 | Very low | 114 Ų | 114 | 131.1 Ų | 131.1 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | 87.4 | 105.8 | 151.6 | 41.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 263 | A | 31.2 | Very low | 36.5 | Very low | 92 Ų | 92 | 128.8 Ų | 128.8 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | 72 | 134.2 | 120.2 | 0 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 264 | S | 32.8 | Very low | 36.8 | Very low | 114 Ų | 114 | 126.1 Ų | 126.1 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | 106.6 | 111.2 | 139.8 | -30.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 265 | N | 33.1 | Very low | 36.9 | Very low | 163 Ų | 163 | 127.6 Ų | 127.6 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | trans | 40.6 | 151.1 | 134.1 | -90.3 | 25.9 | 0 | 0 | 0 | 125.4 | ||||
| 266 | S | 32.5 | Very low | 36.7 | Very low | 123 Ų | 123 | 123.1 Ų | 123.1 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | 86.6 | 123.6 | 171.1 | 75.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 267 | G | 33.5 | Very low | 36.5 | Very low | 67 Ų | 67 | 119.6 Ų | 119.6 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | cis | 107.6 | 102.3 | 21.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 268 | V | 39.7 | Very low | 36.7 | Very low | 153 Ų | 153 | 118 Ų | 118 | 93% | 0.927 | 80% | 0.804 | S | S | * | * | trans | 179.5 | 140.3 | 139.7 | -82.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 269 | S | 41.6 | Very low | 36.7 | Very low | 127 Ų | 127 | 118.9 Ų | 118.9 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | trans | -86.1 | 165.6 | -179 | -42 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 270 | G | 32.6 | Very low | 36.6 | Very low | 76 Ų | 76 | 122.8 Ų | 122.8 | 78% | 0.784 | 82% | 0.824 | S | S | * | * | trans | 160.6 | 90 | 154.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 271 | A | 34.6 | Very low | 36.6 | Very low | 109 Ų | 109 | 120.4 Ų | 120.4 | 90% | 0.901 | 83% | 0.827 | S | S | * | * | trans | 61.1 | 134.6 | 135.4 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 272 | S | 37.5 | Very low | 36.6 | Very low | 119 Ų | 119 | 120 Ų | 120 | 83% | 0.832 | 83% | 0.83 | S | S | * | * | trans | -63.6 | 160.7 | 171.4 | -40 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 273 | S | 36.1 | Very low | 36.6 | Very low | 118 Ų | 118 | 120.5 Ų | 120.5 | 83% | 0.825 | 83% | 0.834 | S | S | * | * | 175.8 | 144 | 118.8 | 58.5 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 274 | S | 44.7 | Very low | 36.9 | Very low | 99 Ų | 99 | 121.6 Ų | 121.6 | 69% | 0.692 | 84% | 0.836 | S | S | * | * | trans | -70 | 156.9 | 171.7 | 47.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 275 | N | 39 | Very low | 37 | Very low | 156 Ų | 156 | 121.2 Ų | 121.2 | 83% | 0.834 | 83% | 0.833 | S | S | * | * | 172.7 | 155.1 | 115.2 | -95.6 | 17.1 | 0 | 0 | 0 | 114.5 | |||||
| 276 | A | 36.5 | Very low | 37.2 | Very low | 94 Ų | 94 | 120.5 Ų | 120.5 | 78% | 0.777 | 84% | 0.835 | S | S | * | * | trans | -70.9 | 163.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 277 | S | 37.8 | Very low | 37.2 | Very low | 119 Ų | 119 | 117.9 Ų | 117.9 | 83% | 0.832 | 83% | 0.827 | S | S | * | * | trans | -161.8 | 133 | 141.6 | 57.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 278 | M | 43.2 | Very low | 37.4 | Very low | 178 Ų | 178 | 120.1 Ų | 120.1 | 88% | 0.877 | 83% | 0.832 | S | S | * | * | trans | -82.8 | 148.1 | 167.9 | -48.3 | -170.2 | 171.1 | 0 | 0 | 109.4 | ||||
| 279 | V | 38 | Very low | 37.2 | Very low | 148 Ų | 148 | 119.6 Ų | 119.6 | 90% | 0.897 | 83% | 0.829 | S | S | * | * | trans | -158 | 132.9 | 146.3 | -81.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 280 | S | 35.5 | Very low | 36.9 | Very low | 124 Ų | 124 | 117.2 Ų | 117.2 | 87% | 0.867 | 83% | 0.825 | S | S | * | * | trans | -89.9 | 151.8 | 169.8 | -48.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 281 | S | 38.1 | Very low | 37 | Very low | 124 Ų | 124 | 118.6 Ų | 118.6 | 87% | 0.867 | 82% | 0.822 | S | S | * | * | trans | -146 | 116.2 | 155 | 53 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 282 | A | 37.1 | Very low | 37 | Very low | 104 Ų | 104 | 120 Ų | 120 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | trans | -76.6 | 149.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 283 | S | 34.2 | Very low | 36.7 | Very low | 124 Ų | 124 | 118 Ų | 118 | 87% | 0.867 | 82% | 0.819 | S | S | * | * | trans | -149.5 | 120.3 | 156.7 | 55 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 284 | S | 36.7 | Very low | 36.9 | Very low | 115 Ų | 115 | 120.1 Ų | 120.1 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -92.8 | 150 | 178.4 | 48.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 285 | S | 35.5 | Very low | 36.6 | Very low | 106 Ų | 106 | 120.6 Ų | 120.6 | 74% | 0.741 | 82% | 0.824 | S | S | * | * | trans | 171.8 | 109.9 | 141.8 | 52.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 286 | T | 37.6 | Very low | 36.3 | Very low | 148 Ų | 148 | 118 Ų | 118 | 91% | 0.908 | 82% | 0.824 | S | S | * | * | 67.8 | 127.6 | 81.1 | 51.5 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 287 | G | 32.7 | Very low | 36.6 | Very low | 67 Ų | 67 | 118.9 Ų | 118.9 | 69% | 0.691 | 83% | 0.825 | S | S | * | * | trans | 140.8 | 91.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 288 | S | 37.3 | Very low | 36.5 | Very low | 115 Ų | 115 | 120.6 Ų | 120.6 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | 65.8 | 130.1 | 83.6 | -47.7 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 289 | T | 35.8 | Very low | 36.2 | Very low | 141 Ų | 141 | 117.2 Ų | 117.2 | 87% | 0.865 | 82% | 0.817 | S | S | * | * | cis | -177.3 | 150 | 44.9 | 33.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 290 | G | 33.7 | Very low | 36 | Very low | 77 Ų | 77 | 115.5 Ų | 115.5 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | trans | 75.1 | 145.1 | 141.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 291 | S | 36.4 | Very low | 36.7 | Very low | 105 Ų | 105 | 116.8 Ų | 116.8 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | cis | -173.8 | 158.5 | 5.6 | 52.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 292 | T | 34.2 | Very low | 36.9 | Very low | 140 Ų | 140 | 114.8 Ų | 114.8 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | trans | 70.9 | 121.3 | 143.7 | 47.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 293 | G | 29.9 | Very low | 36.9 | Very low | 77 Ų | 77 | 116.4 Ų | 116.4 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | 166.2 | 76.4 | 159.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 294 | N | 40.7 | Very low | 37.9 | Very low | 161 Ų | 161 | 119 Ų | 119 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | trans | -47.2 | 159.7 | 159.1 | -81.1 | 21.8 | 0 | 0 | 0 | 111.9 | ||||
| 295 | S | 38.8 | Very low | 38.1 | Very low | 109 Ų | 109 | 118 Ų | 118 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | cis | -169.3 | 145.1 | 4.9 | -90.4 | 0 | 0 | 0 | 0 | 106 | ||||
| 296 | A | 32 | Very low | 39.1 | Very low | 103 Ų | 103 | 125.5 Ų | 125.5 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | trans | -165.3 | 112.7 | 142.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 297 | S | 43.2 | Very low | 39.5 | Very low | 112 Ų | 112 | 121.7 Ų | 121.7 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | trans | -62.6 | 142.5 | 177.3 | 35.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 298 | N | 35.3 | Very low | 40.2 | Very low | 155 Ų | 155 | 127.2 Ų | 127.2 | 83% | 0.829 | 80% | 0.797 | S | S | * | * | -154.5 | 139 | 120.8 | -118.4 | 18.4 | 0 | 0 | 0 | 112.3 | |||||
| 299 | C | 36.7 | Very low | 40.8 | Very low | 107 Ų | 107 | 127 Ų | 127 | 72% | 0.723 | 80% | 0.795 | S | S | * | * | trans | -51.6 | 154.7 | 179.2 | 52.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 300 | S | 35.4 | Very low | 41.5 | Very low | 112 Ų | 112 | 128.2 Ų | 128.2 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | -174 | 144.8 | 66.4 | 40.3 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 301 | V | 50.2 | Low | 42.4 | Very low | 151 Ų | 151 | 127.4 Ų | 127.4 | 92% | 0.915 | 79% | 0.788 | S | S | * | * | trans | -67.1 | 122.7 | 169.7 | 174.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 302 | A | 40.7 | Very low | 43.2 | Very low | 82 Ų | 82 | 127.6 Ų | 127.6 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | trans | -159.5 | 118.3 | 156.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 303 | N | 37.9 | Very low | 44.2 | Very low | 137 Ų | 137 | 128.3 Ų | 128.3 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | trans | 68.6 | 97 | 147.3 | -63.5 | -10.8 | 0 | 0 | 0 | 119.7 | S305 | N303-S305 VanDerWaalsContact C-N 3.32Å; N303-S305 PolarHBondContact O-N 3.42Å | ||
| 304 | I | 55.4 | Low | 45.4 | Very low | 180 Ų | 180 | 129.1 Ų | 129.1 | 92% | 0.923 | 77% | 0.772 | S | S | * | * | trans | -42.8 | 95.6 | 132 | 32.8 | 167.9 | 0 | 0 | 0 | 110.9 | ||||
| 305 | S | 41.1 | Very low | 46.2 | Very low | 94 Ų | 94 | 124.1 Ų | 124.1 | 66% | 0.657 | 75% | 0.75 | S | S | * | * | trans | -122.2 | 97.1 | 162 | -72.8 | 0 | 0 | 0 | 0 | 109.3 | N303 A307 | N303-S305 VanDerWaalsContact C-N 3.32Å; N303-S305 PolarHBondContact O-N 3.42Å; S305-A307 PolarHBondContact O-N 3.34Å; S305-A307 VanDerWaalsContact O-N 3.11Å | ||
| 306 | R | 57.1 | Low | 47.2 | Very low | 263 Ų | 263 | 120.5 Ų | 120.5 | 99% | 0.992 | 73% | 0.727 | S | S | * | * | trans | -64.6 | 95.1 | 163.1 | -173.2 | -179.5 | -174.7 | -162.6 | 1.5 | 107.3 | ||||
| 307 | A | 45.3 | Very low | 48.7 | Very low | 67 Ų | 67 | 117.9 Ų | 117.9 | 55% | 0.554 | 71% | 0.705 | S | S | * | * | trans | -144.9 | 117 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S305 | S305-A307 PolarHBondContact O-N 3.34Å; S305-A307 VanDerWaalsContact O-N 3.11Å | ||
| 308 | H | 46.8 | Very low | 49.5 | Very low | 184 Ų | 184 | 118.1 Ų | 118.1 | 85% | 0.852 | 69% | 0.694 | S | S | * | * | trans | 59.5 | 80.8 | 158 | -47.2 | -66.3 | 0 | 0 | 0 | 118.8 | D310 | H308-D310 PolarHBondContact O-N 3.04Š| ||
| 309 | S | 51.2 | Low | 51 | Low | 109 Ų | 109 | 118 Ų | 118 | 76% | 0.762 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | 70.4 | 166 | 56 | 0 | 0 | 0 | 0 | 112.1 | ||
| 310 | D | 50 | Low | 52.5 | Low | 168 Ų | 168 | 118.6 Ų | 118.6 | 90% | 0.898 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.3 | 0.2 | 168.1 | -83.3 | -47.2 | 0 | 0 | 0 | 115 | H308 | H308-D310 PolarHBondContact O-N 3.04Š|
| 311 | G | 52.3 | Low | 54.1 | Low | 59 Ų | 59 | 121.8 Ų | 121.8 | 61% | 0.608 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -105 | -8.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 312 | N | 53.8 | Low | 55 | Low | 110 Ų | 110 | 118.8 Ų | 118.8 | 59% | 0.588 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -92.2 | -15.6 | -162 | -163.7 | 23.8 | 0 | 0 | 0 | 114.9 | A316 | N312-A316 WeakPolarHBondContact O-CB 3.32Å; N312-A316 PolarHBondContact O-N 2.85Å; N312-A316 VanDerWaalsContact O-N 3.17Å |
| 313 | L | 54 | Low | 56.4 | Low | 154 Ų | 154 | 118.6 Ų | 118.6 | 81% | 0.806 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -72.3 | -37.8 | -179.3 | -64 | 176.3 | 0 | 0 | 0 | 112 | A316 A317 | L313-A316 PolarHBondContact O-N 3.18Å; L313-A317 WeakPolarHBondContact O-CB 3.29Å; L313-A317 PolarHBondContact O-N 3.37Å |
| 314 | S | 55.3 | Low | 58.3 | Low | 94 Ų | 94 | 118.9 Ų | 118.9 | 66% | 0.657 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -67.8 | -45.6 | 180 | -155.1 | 0 | 0 | 0 | 0 | 111.7 | A316 A317 E318 | S314-A316 VanDerWaalsContact C-N 3.35Å; S314-A316 PolarHBondContact O-N 3.23Å; S314-A317 PolarHBondContact O-N 2.93Å; S314-E318 PolarHBondContact O-N 3.36Å |
| 315 | S | 58.6 | Low | 59.3 | Low | 57 Ų | 57 | 117.3 Ų | 117.3 | 40% | 0.399 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -69.4 | -27.9 | 177.7 | -173.7 | 0 | 0 | 0 | 0 | 113.5 | R319 | S315-R319 WeakPolarHBondContact O-CG 3.36Å; S315-R319 PolarHBondContact O-N 3.3Å; S315-R319 PolarHBondContact O-NE 2.95Å |
| 316 | A | 60 | Low | 61 | Low | 33 Ų | 33 | 122.2 Ų | 122.2 | 27% | 0.273 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -73 | -40.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112 | N312 L313 S314 E318 R319 I320 | N312-A316 WeakPolarHBondContact O-CB 3.32Å; N312-A316 PolarHBondContact O-N 2.85Å; N312-A316 VanDerWaalsContact O-N 3.17Å; L313-A316 PolarHBondContact O-N 3.18Å; S314-A316 VanDerWaalsContact C-N 3.35Å; S314-A316 PolarHBondContact O-N 3.23Å; A316-E318 VanDerWaalsContact C-N 3.32Å; A316-E318 PolarHBondContact O-N 3.22Å; A316-R319 PolarHBondContact O-N 3.25Å; A316-I320 VanDerWaalsContact O-CG1 3.3Å; A316-I320 WeakPolarHBondContact O-CG1 3.42Å; A316-I320 PolarHBondContact O-N 2.8Å; A316-I320 VanDerWaalsContact O-N 3.1Å |
| 317 | A | 62.3 | Low | 62.3 | Low | 48 Ų | 48 | 113.4 Ų | 113.4 | 40% | 0.397 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64.5 | -36.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L313 S314 I320 R321 | L313-A317 WeakPolarHBondContact O-CB 3.29Å; L313-A317 PolarHBondContact O-N 3.37Å; S314-A317 PolarHBondContact O-N 2.93Å; A317-I320 PolarHBondContact O-N 2.98Å; A317-R321 WeakPolarHBondContact O-CB 3.1Å; A317-R321 PolarHBondContact O-N 2.7Å; A317-R321 VanDerWaalsContact O-N 3.08Å |
| 318 | E | 60.7 | Low | 64.3 | Low | 116 Ų | 116 | 117.3 Ų | 117.3 | 54% | 0.542 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -66.5 | -46.3 | 175.6 | -160.5 | 166.2 | -160.1 | 0 | 0 | 111.7 | S314 A316 I320 R321 D322 | S314-E318 PolarHBondContact O-N 3.36Å; A316-E318 VanDerWaalsContact C-N 3.32Å; A316-E318 PolarHBondContact O-N 3.22Å; E318-I320 VanDerWaalsContact C-N 3.3Å; E318-I320 PolarHBondContact O-N 2.95Å; E318-R321 WeakPolarHBondContact O-CB 3.41Å; E318-R321 PolarHBondContact O-N 3.08Å; E318-R321 VanDerWaalsContact O-N 3.09Å; E318-D322 PolarHBondContact O-N 3.03Å |
| 319 | R | 67.1 | Low | 66.3 | Low | 152 Ų | 152 | 113.8 Ų | 113.8 | 57% | 0.574 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -59.3 | -36.2 | 174.1 | -75.1 | -178.1 | -78.6 | 165.8 | -7.5 | 113.7 | S315 A316 S323 | S315-R319 WeakPolarHBondContact O-CG 3.36Å; S315-R319 PolarHBondContact O-N 3.3Å; S315-R319 PolarHBondContact O-NE 2.95Å; A316-R319 PolarHBondContact O-N 3.25Å; R319-S323 VanDerWaalsContact O-CB 3.29Å; R319-S323 WeakPolarHBondContact O-CB 3.38Å; R319-S323 PolarHBondContact O-N 3.4Å |
| 320 | I | 66.9 | Low | 68.2 | Low | 120 Ų | 120 | 117.8 Ų | 117.8 | 62% | 0.615 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -70.7 | -38.9 | 176.5 | -67.1 | 165.3 | 0 | 0 | 0 | 110.9 | A316 A317 E318 S323 K324 | A316-I320 VanDerWaalsContact O-CG1 3.3Å; A316-I320 WeakPolarHBondContact O-CG1 3.42Å; A316-I320 PolarHBondContact O-N 2.8Å; A316-I320 VanDerWaalsContact O-N 3.1Å; A317-I320 PolarHBondContact O-N 2.98Å; E318-I320 VanDerWaalsContact C-N 3.3Å; E318-I320 PolarHBondContact O-N 2.95Å; I320-S323 PolarHBondContact O-N 3.19Å; I320-K324 PolarHBondContact O-N 2.99Å |
| 321 | R | 70.2 | Confident | 70.2 | Confident | 180 Ų | 180 | 117.3 Ų | 117.3 | 68% | 0.679 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65.2 | -44.4 | 177.9 | -163.6 | -177.1 | -60.8 | 175.6 | 1.6 | 111.3 | A317 E318 K324 K325 | A317-R321 WeakPolarHBondContact O-CB 3.1Å; A317-R321 PolarHBondContact O-N 2.7Å; A317-R321 VanDerWaalsContact O-N 3.08Å; E318-R321 WeakPolarHBondContact O-CB 3.41Å; E318-R321 PolarHBondContact O-N 3.08Å; E318-R321 VanDerWaalsContact O-N 3.09Å; R321-K324 PolarHBondContact O-N 3.11Å; R321-K325 PolarHBondContact O-N 2.78Å |
| 322 | D | 68.1 | Low | 72.2 | Confident | 88 Ų | 88 | 120.2 Ų | 120.2 | 47% | 0.471 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -68.2 | -37.6 | 177.7 | -69.9 | -24.9 | 0 | 0 | 0 | 112.4 | E318 K324 K325 R326 | E318-D322 PolarHBondContact O-N 3.03Å; D322-K324 VanDerWaalsContact C-N 3.33Å; D322-K324 PolarHBondContact O-N 3.03Å; D322-K325 PolarHBondContact O-N 3.29Å; D322-R326 WeakPolarHBondContact O-CB 3.27Å; D322-R326 PolarHBondContact O-N 2.91Å |
| 323 | S | 69.8 | Low | 74.1 | Confident | 78 Ų | 78 | 120.6 Ų | 120.6 | 55% | 0.545 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.5 | -40.5 | 172.6 | -177 | 0 | 0 | 0 | 0 | 112 | R319 I320 S327 | R319-S323 VanDerWaalsContact O-CB 3.29Å; R319-S323 WeakPolarHBondContact O-CB 3.38Å; R319-S323 PolarHBondContact O-N 3.4Å; I320-S323 PolarHBondContact O-N 3.19Å; S323-S327 WeakPolarHBondContact O-CB 3.49Å; S323-S327 PolarHBondContact O-N 3.17Å |
| 324 | K | 77.6 | Confident | 76 | Confident | 143 Ų | 143 | 118.1 Ų | 118.1 | 62% | 0.622 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.8 | -37.7 | 176.1 | -163.8 | 171.5 | -176.1 | 175.5 | 0 | 111.9 | I320 R321 D322 K328 | I320-K324 PolarHBondContact O-N 2.99Å; R321-K324 PolarHBondContact O-N 3.11Å; D322-K324 VanDerWaalsContact C-N 3.33Å; D322-K324 PolarHBondContact O-N 3.03Å; K324-K328 WeakPolarHBondContact O-CG 3.48Å; K324-K328 PolarHBondContact O-N 3.2Å |
| 325 | K | 76.6 | Confident | 77.9 | Confident | 147 Ų | 147 | 120 Ų | 120 | 64% | 0.639 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.2 | -49.6 | 174.5 | -171.6 | 178.6 | 178 | -177.5 | 0 | 111.3 | R321 D322 S327 K328 Q329 | R321-K325 PolarHBondContact O-N 2.78Å; D322-K325 PolarHBondContact O-N 3.29Å; K325-S327 VanDerWaalsContact C-N 3.32Å; K325-S327 PolarHBondContact O-N 3.39Å; K325-K328 PolarHBondContact O-N 3.4Å; K325-Q329 PolarHBondContact O-N 2.93Å |
| 326 | R | 77.9 | Confident | 79.6 | Confident | 197 Ų | 197 | 120 Ų | 120 | 74% | 0.743 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.3 | -38.4 | 176.2 | -169.9 | 178.1 | -177.3 | -168.5 | 2.2 | 112.3 | D322 Q329 R330 | D322-R326 WeakPolarHBondContact O-CB 3.27Å; D322-R326 PolarHBondContact O-N 2.91Å; R326-Q329 PolarHBondContact O-N 3.42Å; R326-R330 WeakPolarHBondContact O-CB 3.4Å; R326-R330 PolarHBondContact O-N 2.88Å |
| 327 | S | 83 | Confident | 81.3 | Confident | 78 Ų | 78 | 123.1 Ų | 123.1 | 55% | 0.545 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.3 | -43.7 | 176.5 | -177.3 | 0 | 0 | 0 | 0 | 112.5 | S323 K325 Q329 R330 K331 | S323-S327 WeakPolarHBondContact O-CB 3.49Å; S323-S327 PolarHBondContact O-N 3.17Å; K325-S327 VanDerWaalsContact C-N 3.32Å; K325-S327 PolarHBondContact O-N 3.39Å; S327-Q329 PolarHBondContact O-N 3.5Å; S327-R330 PolarHBondContact O-N 3.05Å; S327-K331 WeakPolarHBondContact O-CB 3.47Å; S327-K331 PolarHBondContact O-N 3.47Å |
| 328 | K | 87.9 | Confident | 82.9 | Confident | 149 Ų | 149 | 128.4 Ų | 128.4 | 65% | 0.648 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -60.8 | -44.1 | 173.1 | -76.8 | -177.8 | 177.6 | -174.5 | 0 | 111.7 | K324 K325 K331 L332 | K324-K328 WeakPolarHBondContact O-CG 3.48Å; K324-K328 PolarHBondContact O-N 3.2Å; K325-K328 PolarHBondContact O-N 3.4Å; K328-K331 PolarHBondContact O-N 3.03Å; K328-L332 PolarHBondContact O-N 2.91Å |
| 329 | Q | 89.2 | Confident | 84.5 | Confident | 109 Ų | 109 | 129.5 Ų | 129.5 | 51% | 0.509 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -61.6 | -45.7 | 176.8 | -175.6 | 176.1 | -1.2 | 0 | 0 | 111.8 | K325 R326 S327 K331 L332 Q333 | K325-Q329 PolarHBondContact O-N 2.93Å; R326-Q329 PolarHBondContact O-N 3.42Å; S327-Q329 PolarHBondContact O-N 3.5Å; Q329-K331 VanDerWaalsContact C-N 3.33Å; Q329-K331 PolarHBondContact O-N 3.03Å; Q329-L332 PolarHBondContact O-N 3.27Å; Q329-Q333 WeakPolarHBondContact O-CG 3.32Å; Q329-Q333 PolarHBondContact O-N 3.06Å |
| 330 | R | 91 | Very high | 85.8 | Confident | 193 Ų | 193 | 130.9 Ų | 130.9 | 73% | 0.728 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -60.4 | -41.3 | 175.8 | -171.4 | 178.7 | -179.9 | -170.7 | 0.6 | 112 | R326 S327 Q333 Q334 | R326-R330 WeakPolarHBondContact O-CB 3.4Å; R326-R330 PolarHBondContact O-N 2.88Å; S327-R330 PolarHBondContact O-N 3.05Å; R330-Q333 PolarHBondContact O-N 3.47Å; R330-Q334 WeakPolarHBondContact O-CB 3.4Å; R330-Q334 PolarHBondContact O-N 3.06Å |
| 331 | K | 92.8 | Very high | 87.2 | Confident | 158 Ų | 158 | 130 Ų | 130 | 69% | 0.687 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65.4 | -39.1 | 176.8 | -170.4 | 175.2 | -177.4 | 177.1 | 0 | 112 | S327 K328 Q329 Q334 K335 | S327-K331 WeakPolarHBondContact O-CB 3.47Å; S327-K331 PolarHBondContact O-N 3.47Å; K328-K331 PolarHBondContact O-N 3.03Å; Q329-K331 VanDerWaalsContact C-N 3.33Å; Q329-K331 PolarHBondContact O-N 3.03Å; K331-Q334 PolarHBondContact O-N 3.09Å; K331-K335 PolarHBondContact O-N 3.24Å |
| 332 | L | 93.1 | Very high | 88.4 | Confident | 121 Ų | 121 | 125.6 Ų | 125.6 | 63% | 0.634 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -66 | -46.4 | 176 | -176.9 | 61.7 | 0 | 0 | 0 | 111.5 | K328 Q329 Q334 K335 A336 | K328-L332 PolarHBondContact O-N 2.91Å; Q329-L332 PolarHBondContact O-N 3.27Å; L332-Q334 VanDerWaalsContact C-N 3.32Å; L332-Q334 PolarHBondContact O-N 3.19Å; L332-K335 WeakPolarHBondContact O-CB 3.31Å; L332-K335 PolarHBondContact O-N 2.93Å; L332-K335 VanDerWaalsContact O-N 3.13Å; L332-A336 PolarHBondContact O-N 3.27Å |
| 333 | Q | 93 | Very high | 89.8 | Confident | 118 Ų | 118 | 129 Ų | 129 | 55% | 0.551 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -58.9 | -42.9 | 175 | -72.9 | 176.2 | -4.5 | 0 | 0 | 111.5 | Q329 R330 K335 A336 L337 | Q329-Q333 WeakPolarHBondContact O-CG 3.32Å; Q329-Q333 PolarHBondContact O-N 3.06Å; R330-Q333 PolarHBondContact O-N 3.47Å; Q333-K335 VanDerWaalsContact C-N 3.33Å; Q333-K335 PolarHBondContact O-N 3.09Å; Q333-A336 PolarHBondContact O-N 3.42Å; Q333-L337 WeakPolarHBondContact O-CB 3.43Å; Q333-L337 PolarHBondContact O-N 3.46Å |
| 334 | Q | 94.9 | Very high | 90.9 | Very high | 102 Ų | 102 | 131 Ų | 131 | 48% | 0.477 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.1 | -37.2 | 176.3 | -165.1 | 178.7 | 30 | 0 | 0 | 112.4 | R330 K331 L332 R338 | R330-Q334 WeakPolarHBondContact O-CB 3.4Å; R330-Q334 PolarHBondContact O-N 3.06Å; K331-Q334 PolarHBondContact O-N 3.09Å; L332-Q334 VanDerWaalsContact C-N 3.32Å; L332-Q334 PolarHBondContact O-N 3.19Å; Q334-R338 WeakPolarHBondContact O-CG 3.37Å; Q334-R338 PolarHBondContact O-N 2.91Å |
| 335 | K | 96.3 | Very high | 91.6 | Very high | 133 Ų | 133 | 129.7 Ų | 129.7 | 58% | 0.578 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -67.2 | -40.7 | 175.3 | -171.6 | 179.2 | -179.7 | -178.1 | 0 | 111.6 | K331 L332 Q333 R338 K339 | K331-K335 PolarHBondContact O-N 3.24Å; L332-K335 WeakPolarHBondContact O-CB 3.31Å; L332-K335 PolarHBondContact O-N 2.93Å; L332-K335 VanDerWaalsContact O-N 3.13Å; Q333-K335 VanDerWaalsContact C-N 3.33Å; Q333-K335 PolarHBondContact O-N 3.09Å; K335-R338 PolarHBondContact O-N 3.46Å; K335-K339 PolarHBondContact O-N 3.29Å |
| 336 | A | 93.9 | Very high | 92.4 | Very high | 58 Ų | 58 | 130.4 Ų | 130.4 | 48% | 0.479 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62.7 | -45.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L332 Q333 R338 K339 R340 | L332-A336 PolarHBondContact O-N 3.27Å; Q333-A336 PolarHBondContact O-N 3.42Å; A336-R338 PolarHBondContact O-N 2.95Å; A336-K339 WeakPolarHBondContact O-CB 3.46Å; A336-K339 PolarHBondContact O-N 2.92Å; A336-R340 PolarHBondContact O-N 3.13Å |
| 337 | L | 95.2 | Very high | 93 | Very high | 97 Ų | 97 | 125.5 Ų | 125.5 | 51% | 0.508 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -59.5 | -47.4 | 176.8 | -171.3 | 72.8 | 0 | 0 | 0 | 111.9 | Q333 K339 R340 Q341 | Q333-L337 WeakPolarHBondContact O-CB 3.43Å; Q333-L337 PolarHBondContact O-N 3.46Å; L337-K339 VanDerWaalsContact C-N 3.32Å; L337-K339 PolarHBondContact O-N 3.41Å; L337-R340 PolarHBondContact O-N 3.4Å; L337-Q341 WeakPolarHBondContact O-CG 3.5Å; L337-Q341 PolarHBondContact O-N 3.48Å |
| 338 | R | 94.9 | Very high | 93.2 | Very high | 160 Ų | 160 | 123.8 Ų | 123.8 | 60% | 0.604 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61 | -39.6 | 176.3 | -75.2 | -178.5 | -178.1 | 176.4 | 1.7 | 112.4 | Q334 K335 A336 L342 | Q334-R338 WeakPolarHBondContact O-CG 3.37Å; Q334-R338 PolarHBondContact O-N 2.91Å; K335-R338 PolarHBondContact O-N 3.46Å; A336-R338 PolarHBondContact O-N 2.95Å; R338-L342 WeakPolarHBondContact O-CB 3.41Å; R338-L342 PolarHBondContact O-N 3.21Å |
| 339 | K | 95.4 | Very high | 93.1 | Very high | 138 Ų | 138 | 124.6 Ų | 124.6 | 60% | 0.6 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63.6 | -42.8 | 175.3 | -86.2 | -167.3 | 171.8 | -170.4 | 0 | 111.6 | K335 A336 L337 L342 K343 | K335-K339 PolarHBondContact O-N 3.29Å; A336-K339 WeakPolarHBondContact O-CB 3.46Å; A336-K339 PolarHBondContact O-N 2.92Å; L337-K339 VanDerWaalsContact C-N 3.32Å; L337-K339 PolarHBondContact O-N 3.41Å; K339-L342 PolarHBondContact O-N 2.97Å; K339-K343 WeakPolarHBondContact O-CG 3.47Å; K339-K343 PolarHBondContact O-N 3.1Å |
| 340 | R | 95.1 | Very high | 93.2 | Very high | 182 Ų | 182 | 126.1 Ų | 126.1 | 69% | 0.687 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -60.4 | -51.2 | 176.1 | -175.9 | 179.2 | 176.9 | 177.7 | 1 | 110.9 | A336 L337 L342 K343 E344 | A336-R340 PolarHBondContact O-N 3.13Å; L337-R340 PolarHBondContact O-N 3.4Å; R340-L342 VanDerWaalsContact C-N 3.28Å; R340-L342 PolarHBondContact O-N 3.23Å; R340-K343 WeakPolarHBondContact O-CB 3.44Å; R340-K343 PolarHBondContact O-N 3.48Å; R340-K343 VanDerWaalsContact O-N 3.11Å; R340-E344 WeakPolarHBondContact O-CB 3.49Å; R340-E344 PolarHBondContact O-N 2.69Å |
| 341 | Q | 95.9 | Very high | 92.9 | Very high | 100 Ų | 100 | 120.3 Ų | 120.3 | 47% | 0.467 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -58 | -38.6 | 177.6 | -72.3 | 176.3 | -18.8 | 0 | 0 | 112.8 | L337 Q345 | L337-Q341 WeakPolarHBondContact O-CG 3.5Å; L337-Q341 PolarHBondContact O-N 3.48Å; Q341-Q345 WeakPolarHBondContact O-CB 3.42Å; Q341-Q345 PolarHBondContact O-N 2.94Å |
| 342 | L | 95.8 | Very high | 92.3 | Very high | 89 Ų | 89 | 123.6 Ų | 123.6 | 47% | 0.466 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -69.6 | -39.1 | 177.7 | -169.8 | 70.5 | 0 | 0 | 0 | 112.1 | R338 K339 R340 R346 | R338-L342 WeakPolarHBondContact O-CB 3.41Å; R338-L342 PolarHBondContact O-N 3.21Å; K339-L342 PolarHBondContact O-N 2.97Å; R340-L342 VanDerWaalsContact C-N 3.28Å; R340-L342 PolarHBondContact O-N 3.23Å; L342-R346 VanDerWaalsContact O-CG 3.27Å; L342-R346 WeakPolarHBondContact O-CG 3.48Å; L342-R346 PolarHBondContact O-N 2.65Å |
| 343 | K | 96.2 | Very high | 91.6 | Very high | 158 Ų | 158 | 125.2 Ų | 125.2 | 69% | 0.687 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.3 | -45.2 | 174.4 | -75.6 | -175.3 | 174.1 | -168.8 | 0 | 110.7 | K339 R340 R346 Q347 | K339-K343 WeakPolarHBondContact O-CG 3.47Å; K339-K343 PolarHBondContact O-N 3.1Å; R340-K343 WeakPolarHBondContact O-CB 3.44Å; R340-K343 PolarHBondContact O-N 3.48Å; R340-K343 VanDerWaalsContact O-N 3.11Å; K343-R346 WeakPolarHBondContact O-CB 3.41Å; K343-R346 PolarHBondContact O-N 3.28Å; K343-Q347 WeakPolarHBondContact O-CB 3.43Å; K343-Q347 PolarHBondContact O-N 3.4Å |
| 344 | E | 93 | Very high | 90.9 | Very high | 122 Ų | 122 | 122.3 Ų | 122.3 | 57% | 0.57 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63 | -45.2 | 177.8 | -173.2 | 177.3 | -175.2 | 0 | 0 | 112 | R340 R346 Q347 A348 | R340-E344 WeakPolarHBondContact O-CB 3.49Å; R340-E344 PolarHBondContact O-N 2.69Å; E344-R346 VanDerWaalsContact C-N 3.31Å; E344-R346 PolarHBondContact O-N 3.03Å; E344-Q347 WeakPolarHBondContact O-CB 3.48Å; E344-Q347 PolarHBondContact O-N 2.99Å; E344-A348 WeakPolarHBondContact O-CB 3.22Å; E344-A348 PolarHBondContact O-N 3.5Å |
| 345 | Q | 93.5 | Very high | 89.6 | Confident | 115 Ų | 115 | 119.2 Ų | 119.2 | 54% | 0.537 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.1 | -39.2 | 173.5 | -87.6 | -161.8 | 30.3 | 0 | 0 | 112.8 | Q341 Q347 R349 | Q341-Q345 WeakPolarHBondContact O-CB 3.42Å; Q341-Q345 PolarHBondContact O-N 2.94Å; Q345-Q347 VanDerWaalsContact C-N 3.35Å; Q345-R349 WeakPolarHBondContact O-CB 3.18Å; Q345-R349 VanDerWaalsContact O-CG 3.29Å; Q345-R349 WeakPolarHBondContact O-CG 3.42Å; Q345-R349 PolarHBondContact O-N 3.42Å |
| 346 | R | 92.3 | Very high | 87.8 | Confident | 162 Ų | 162 | 119.6 Ų | 119.6 | 61% | 0.611 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.9 | -43.5 | 175.7 | -74.7 | 173.5 | -178.2 | -169.7 | -0.7 | 110.6 | L342 K343 E344 R349 K350 | L342-R346 VanDerWaalsContact O-CG 3.27Å; L342-R346 WeakPolarHBondContact O-CG 3.48Å; L342-R346 PolarHBondContact O-N 2.65Å; K343-R346 WeakPolarHBondContact O-CB 3.41Å; K343-R346 PolarHBondContact O-N 3.28Å; E344-R346 VanDerWaalsContact C-N 3.31Å; E344-R346 PolarHBondContact O-N 3.03Å; R346-R349 PolarHBondContact O-N 3.37Å; R346-K350 VanDerWaalsContact O-CG 3.32Å; R346-K350 WeakPolarHBondContact O-CG 3.39Å; R346-K350 PolarHBondContact O-N 2.91Å |
| 347 | Q | 90.3 | Very high | 86.2 | Confident | 94 Ų | 94 | 122.9 Ų | 122.9 | 44% | 0.439 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.2 | -52.7 | 177.1 | -176 | 63.6 | 16 | 0 | 0 | 110.9 | K343 E344 Q345 R349 K350 E351 | K343-Q347 WeakPolarHBondContact O-CB 3.43Å; K343-Q347 PolarHBondContact O-N 3.4Å; E344-Q347 WeakPolarHBondContact O-CB 3.48Å; E344-Q347 PolarHBondContact O-N 2.99Å; Q345-Q347 VanDerWaalsContact C-N 3.35Å; Q347-R349 VanDerWaalsContact C-N 3.29Å; Q347-R349 PolarHBondContact O-N 2.86Å; Q347-K350 CarbonylContact O-C 3.56Å; Q347-K350 WeakPolarHBondContact O-CA 3.43Å; Q347-K350 WeakPolarHBondContact O-CB 3.48Å; Q347-K350 PolarHBondContact O-N 3.26Å; Q347-E351 WeakPolarHBondContact CG-OE1 3.32Å; Q347-E351 PolarHBondContact NE2-OE1 3.41Å; Q347-E351 WeakPolarHBondContact O-CG 3.29Å; Q347-E351 PolarHBondContact O-N 3.44Å |
| 348 | A | 86.9 | Confident | 84.5 | Confident | 42 Ų | 42 | 125.2 Ų | 125.2 | 35% | 0.347 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -58.7 | -37.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | E344 E351 R352 | E344-A348 WeakPolarHBondContact O-CB 3.22Å; E344-A348 PolarHBondContact O-N 3.5Å; A348-E351 PolarHBondContact O-N 3.48Å; A348-R352 WeakPolarHBondContact O-CB 3.4Å; A348-R352 VanDerWaalsContact O-CG 3.31Å; A348-R352 WeakPolarHBondContact O-CG 3.39Å; A348-R352 PolarHBondContact O-N 3.04Å |
| 349 | R | 86.9 | Confident | 82.7 | Confident | 166 Ų | 166 | 124.4 Ų | 124.4 | 63% | 0.626 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.4 | -42 | 172.3 | -78.6 | -178.5 | -173.3 | -162.4 | 2.3 | 111.9 | Q345 R346 Q347 L353 | Q345-R349 WeakPolarHBondContact O-CB 3.18Å; Q345-R349 VanDerWaalsContact O-CG 3.29Å; Q345-R349 WeakPolarHBondContact O-CG 3.42Å; Q345-R349 PolarHBondContact O-N 3.42Å; R346-R349 PolarHBondContact O-N 3.37Å; Q347-R349 VanDerWaalsContact C-N 3.29Å; Q347-R349 PolarHBondContact O-N 2.86Å; R349-L353 WeakPolarHBondContact O-CB 3.34Å; R349-L353 VanDerWaalsContact O-CG 3.3Å; R349-L353 WeakPolarHBondContact O-CG 3.35Å; R349-L353 PolarHBondContact O-N 2.95Å |
| 350 | K | 90 | Very high | 81.1 | Confident | 141 Ų | 141 | 124.9 Ų | 124.9 | 61% | 0.613 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -62.2 | -45.5 | 175.8 | -72.8 | 179.4 | 80.3 | -170.1 | 0 | 110.2 | R346 Q347 L353 S354 | R346-K350 VanDerWaalsContact O-CG 3.32Å; R346-K350 WeakPolarHBondContact O-CG 3.39Å; R346-K350 PolarHBondContact O-N 2.91Å; Q347-K350 CarbonylContact O-C 3.56Å; Q347-K350 WeakPolarHBondContact O-CA 3.43Å; Q347-K350 WeakPolarHBondContact O-CB 3.48Å; Q347-K350 PolarHBondContact O-N 3.26Å; K350-L353 PolarHBondContact O-N 2.99Å; K350-S354 WeakPolarHBondContact O-CB 3.35Å; K350-S354 PolarHBondContact O-N 3.08Å; K350-S354 PolarHBondContact O-OG 3.04Å; K350-S354 VanDerWaalsContact O-OG 3.08Å |
| 351 | E | 85.3 | Confident | 79.5 | Confident | 70 Ų | 70 | 124.4 Ų | 124.4 | 33% | 0.327 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -59.7 | -50.4 | 177.6 | -68.1 | 170.6 | -179 | 0 | 0 | 111.3 | Q347 A348 L353 S354 G355 F357 | Q347-E351 WeakPolarHBondContact CG-OE1 3.32Å; Q347-E351 PolarHBondContact NE2-OE1 3.41Å; Q347-E351 WeakPolarHBondContact O-CG 3.29Å; Q347-E351 PolarHBondContact O-N 3.44Å; A348-E351 PolarHBondContact O-N 3.48Å; E351-L353 VanDerWaalsContact C-N 3.32Å; E351-L353 PolarHBondContact O-N 3.09Å; E351-S354 WeakPolarHBondContact CA-OG 3.3Å; E351-S354 PolarHBondContact O-N 2.84Å; E351-S354 PolarHBondContact O-OG 3.49Å; E351-G355 PolarHBondContact O-N 3.46Å; E351-F357 HydrophobicContact CB-CD2 4.06Å; E351-F357 HydrophobicContact CB-CE2 4.3Å; E351-F357 HydrophobicContact CG-CD2 3.92Å; E351-F357 HydrophobicContact CG-CE2 3.66Å |
| 352 | R | 81 | Confident | 77.9 | Confident | 227 Ų | 227 | 125 Ų | 125 | 86% | 0.857 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -59.6 | -37 | 176.4 | -73.9 | -175.4 | 74.9 | 116.4 | 5 | 114 | A348 | A348-R352 WeakPolarHBondContact O-CB 3.4Å; A348-R352 VanDerWaalsContact O-CG 3.31Å; A348-R352 WeakPolarHBondContact O-CG 3.39Å; A348-R352 PolarHBondContact O-N 3.04Å |
| 353 | L | 78.7 | Confident | 76 | Confident | 156 Ų | 156 | 128.1 Ų | 128.1 | 82% | 0.817 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -81.1 | -30 | 178.3 | -71.6 | 173.4 | 0 | 0 | 0 | 112.5 | R349 K350 E351 | R349-L353 WeakPolarHBondContact O-CB 3.34Å; R349-L353 VanDerWaalsContact O-CG 3.3Å; R349-L353 WeakPolarHBondContact O-CG 3.35Å; R349-L353 PolarHBondContact O-N 2.95Å; K350-L353 PolarHBondContact O-N 2.99Å; E351-L353 VanDerWaalsContact C-N 3.32Å; E351-L353 PolarHBondContact O-N 3.09Å |
| 354 | S | 78.4 | Confident | 74.3 | Confident | 56 Ų | 56 | 125.4 Ų | 125.4 | 39% | 0.392 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -76.9 | -24.9 | -176.5 | 69.3 | 0 | 0 | 0 | 0 | 113.2 | K350 E351 L356 | K350-S354 WeakPolarHBondContact O-CB 3.35Å; K350-S354 PolarHBondContact O-N 3.08Å; K350-S354 PolarHBondContact O-OG 3.04Å; K350-S354 VanDerWaalsContact O-OG 3.08Å; E351-S354 WeakPolarHBondContact CA-OG 3.3Å; E351-S354 PolarHBondContact O-N 2.84Å; E351-S354 PolarHBondContact O-OG 3.49Å; S354-L356 PolarHBondContact O-N 3.26Å |
| 355 | G | 66.8 | Low | 72.3 | Confident | 37 Ų | 37 | 127 Ų | 127 | 38% | 0.381 | 63% | 0.632 | S | S | . | * | trans | 65.3 | 1.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | E351 F357 L358 | E351-G355 PolarHBondContact O-N 3.46Å; G355-F357 PolarHBondContact O-N 3.02Å; G355-L358 PolarHBondContact O-N 3.46Å | ||
| 356 | L | 59.1 | Low | 70.6 | Confident | 141 Ų | 141 | 130.3 Ų | 130.3 | 74% | 0.738 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -19.9 | -173.3 | -86.2 | 162.7 | 0 | 0 | 0 | 114.4 | S354 | S354-L356 PolarHBondContact O-N 3.26Š|
| 357 | F | 59.5 | Low | 68.3 | Low | 127 Ų | 127 | 128.1 Ų | 128.1 | 56% | 0.557 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.3 | 6.7 | -178.1 | -62.2 | -85 | 0 | 0 | 0 | 113.4 | E351 G355 N359 | E351-F357 HydrophobicContact CB-CD2 4.06Å; E351-F357 HydrophobicContact CB-CE2 4.3Å; E351-F357 HydrophobicContact CG-CD2 3.92Å; E351-F357 HydrophobicContact CG-CE2 3.66Å; G355-F357 PolarHBondContact O-N 3.02Å; F357-N359 VanDerWaalsContact C-N 3.26Å; F357-N359 PolarHBondContact O-N 3.1Å |
| 358 | L | 58.8 | Low | 66.1 | Low | 147 Ų | 147 | 129.1 Ų | 129.1 | 77% | 0.77 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -20.4 | 176.6 | -109.4 | 82.9 | 0 | 0 | 0 | 112.8 | G355 | G355-L358 PolarHBondContact O-N 3.46Š|
| 359 | N | 57 | Low | 64.3 | Low | 142 Ų | 142 | 135.7 Ų | 135.7 | 76% | 0.759 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.2 | 45.9 | -174.5 | -60.8 | -11.5 | 0 | 0 | 0 | 111.5 | F357 E361 | F357-N359 VanDerWaalsContact C-N 3.26Å; F357-N359 PolarHBondContact O-N 3.1Å; N359-E361 VanDerWaalsContact C-N 3.34Å; N359-E361 PolarHBondContact O-N 3.4Å |
| 360 | E | 62.3 | Low | 62.4 | Low | 149 Ų | 149 | 136 Ų | 136 | 70% | 0.696 | 69% | 0.694 | S | S | * | * | trans | -70.9 | 93.2 | 169.8 | -171.8 | 178.4 | 175.1 | 0 | 0 | 109 | V362 | E360-V362 HydrophobicContact CG-CG2 4.43Š| ||
| 361 | E | 62.8 | Low | 60.4 | Low | 172 Ų | 172 | 136.3 Ų | 136.3 | 80% | 0.804 | 70% | 0.698 | S | S | * | * | trans | -86.1 | 108.2 | 167.7 | -75.4 | -175.6 | 169.7 | 0 | 0 | 108.9 | N359 L363 | N359-E361 VanDerWaalsContact C-N 3.34Å; N359-E361 PolarHBondContact O-N 3.4Å; E361-L363 PolarHBondContact O-N 3.28Å | ||
| 362 | V | 61.4 | Low | 58.3 | Low | 111 Ų | 111 | 140.6 Ų | 140.6 | 67% | 0.673 | 72% | 0.723 | S | S | * | * | trans | -76 | 104 | 174.1 | -178.1 | 0 | 0 | 0 | 0 | 108.4 | E360 S364 | E360-V362 HydrophobicContact CG-CG2 4.43Å; V362-S364 PolarHBondContact O-N 3.42Å; V362-S364 VanDerWaalsContact O-N 3.17Å | ||
| 363 | L | 56 | Low | 56.6 | Low | 155 Ų | 155 | 139.2 Ų | 139.2 | 81% | 0.812 | 72% | 0.718 | S | S | * | * | trans | -76.7 | 98.4 | 172.9 | -74.7 | 167.8 | 0 | 0 | 0 | 109.7 | E361 L365 | E361-L363 PolarHBondContact O-N 3.28Å; L363-L365 PolarHBondContact O-N 3.31Å | ||
| 364 | S | 60.4 | Low | 54.8 | Low | 101 Ų | 101 | 135.2 Ų | 135.2 | 71% | 0.706 | 71% | 0.714 | S | S | * | * | trans | -71.1 | 95.6 | 171.2 | -51.3 | 0 | 0 | 0 | 0 | 109.8 | V362 K366 | V362-S364 PolarHBondContact O-N 3.42Å; V362-S364 VanDerWaalsContact O-N 3.17Å; S364-K366 PolarHBondContact O-N 3.03Å | ||
| 365 | L | 50.7 | Low | 53.2 | Low | 155 Ų | 155 | 141.4 Ų | 141.4 | 81% | 0.812 | 74% | 0.737 | S | S | * | * | trans | -74.2 | 106.6 | 176.3 | -140.6 | 116.4 | 0 | 0 | 0 | 109 | L363 V367 | L363-L365 PolarHBondContact O-N 3.31Å; L365-V367 HydrophobicContact CD2-CG2 4.33Å | ||
| 366 | K | 58.2 | Low | 52.3 | Low | 185 Ų | 185 | 147 Ų | 147 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | -86.5 | 109 | 168 | -67 | -178 | -179.6 | 176.8 | 0 | 107.5 | S364 T368 | S364-K366 PolarHBondContact O-N 3.03Å; K366-T368 PolarHBondContact O-N 3.26Å | ||
| 367 | V | 44.7 | Very low | 52 | Low | 116 Ų | 116 | 145.5 Ų | 145.5 | 70% | 0.703 | 75% | 0.754 | S | S | * | * | trans | -70.7 | 110.2 | 168.8 | 175 | 0 | 0 | 0 | 0 | 107.2 | L365 E369 | L365-V367 HydrophobicContact CD2-CG2 4.33Å; V367-E369 HydrophobicContact CG1-CG 4.36Å | ||
| 368 | T | 43.1 | Very low | 51.8 | Low | 115 Ų | 115 | 145.7 Ų | 145.7 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | trans | -85 | 106.1 | 163.2 | 44.5 | 0 | 0 | 0 | 0 | 107.2 | K366 E370 | K366-T368 PolarHBondContact O-N 3.26Å; T368-E370 VanDerWaalsContact C-N 3.31Å; T368-E370 PolarHBondContact O-N 3.48Å | ||
| 369 | E | 50.3 | Low | 51.2 | Low | 181 Ų | 181 | 145.1 Ų | 145.1 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | trans | -67.4 | 94.3 | 162.5 | -64.5 | -177.9 | 168 | 0 | 0 | 107.3 | V367 | V367-E369 HydrophobicContact CG1-CG 4.36Š| ||
| 370 | E | 47 | Very low | 51 | Low | 172 Ų | 172 | 145.3 Ų | 145.3 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -120.6 | 97.9 | 164.1 | -64.8 | -78.1 | 159.3 | 0 | 0 | 106 | T368 D372 | T368-E370 VanDerWaalsContact C-N 3.31Å; T368-E370 PolarHBondContact O-N 3.48Å; E370-D372 PolarHBondContact O-N 3.07Å | ||
| 371 | E | 47.1 | Very low | 50.5 | Low | 147 Ų | 147 | 145.7 Ų | 145.7 | 69% | 0.687 | 78% | 0.775 | S | S | * | * | trans | -45.3 | 117.6 | 159.8 | 179.3 | 171.9 | -179.5 | 0 | 0 | 110.5 | R373 | E371-R373 IonicContact OE1-CZ 3.86Å; E371-R373 IonicContact OE1-NE 3.82Å; E371-R373 PolarHBondContact OE1-NE 3.35Å; E371-R373 IonicContact OE1-NH2 2.69Å; E371-R373 PolarHBondContact OE1-NH2 3.17Å | ||
| 372 | D | 41.5 | Very low | 49.6 | Very low | 161 Ų | 161 | 150 Ų | 150 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | trans | -142.8 | 131.2 | 147.5 | -153.7 | 7 | 0 | 0 | 0 | 111.5 | E370 | E370-D372 PolarHBondContact O-N 3.07Š| ||
| 373 | R | 45.6 | Very low | 49 | Very low | 198 Ų | 198 | 152 Ų | 152 | 75% | 0.747 | 81% | 0.805 | S | S | * | * | trans | -89.3 | 146.5 | -174.2 | -63.4 | 163.9 | -163.9 | -116.1 | -2.4 | 108.2 | E371 | E371-R373 IonicContact OE1-CZ 3.86Å; E371-R373 IonicContact OE1-NE 3.82Å; E371-R373 PolarHBondContact OE1-NE 3.35Å; E371-R373 IonicContact OE1-NH2 2.69Å; E371-R373 PolarHBondContact OE1-NH2 3.17Å | ||
| 374 | G | 39.3 | Very low | 48.6 | Very low | 71 Ų | 71 | 151.8 Ų | 151.8 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | trans | 132.5 | 113.1 | 151 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 375 | E | 46.5 | Very low | 48 | Very low | 187 Ų | 187 | 154.6 Ų | 154.6 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | 62.4 | 96.2 | 130.7 | -151.6 | 171.3 | -138.8 | 0 | 0 | 116.7 | ||||
| 376 | D | 46.7 | Very low | 47.8 | Very low | 153 Ų | 153 | 154.6 Ų | 154.6 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | -157.9 | 138.8 | 112.9 | -133.2 | -17.2 | 0 | 0 | 0 | 112.8 | |||||
| 377 | V | 53 | Low | 47.2 | Very low | 110 Ų | 110 | 152.7 Ų | 152.7 | 67% | 0.667 | 81% | 0.81 | S | S | * | * | trans | -78.7 | 128.1 | -179.8 | 172.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 378 | V | 55.7 | Low | 47.3 | Very low | 132 Ų | 132 | 155.1 Ų | 155.1 | 80% | 0.8 | 82% | 0.817 | S | S | * | * | trans | -131.1 | 101.7 | 160.4 | -166.5 | 0 | 0 | 0 | 0 | 109.1 | V380 | V378-V380 PolarHBondContact O-N 3.11Š| ||
| 379 | D | 45 | Very low | 47.6 | Very low | 135 Ų | 135 | 158 Ų | 158 | 72% | 0.722 | 83% | 0.825 | S | S | * | * | trans | -50.5 | 119.1 | 167.9 | -78.6 | -42.7 | 0 | 0 | 0 | 111.1 | L381 | D379-L381 PolarHBondContact O-N 2.98Š| ||
| 380 | V | 53.6 | Low | 47.4 | Very low | 145 Ų | 145 | 156.2 Ų | 156.2 | 88% | 0.879 | 82% | 0.824 | S | S | * | * | trans | -88.1 | 98 | 160.3 | 175.8 | 0 | 0 | 0 | 0 | 106.9 | V378 | V378-V380 PolarHBondContact O-N 3.11Š| ||
| 381 | L | 52.1 | Low | 47.5 | Very low | 158 Ų | 158 | 154.9 Ų | 154.9 | 83% | 0.827 | 83% | 0.825 | S | S | * | * | trans | -67.7 | 139.4 | 171.8 | -147.5 | 76.8 | 0 | 0 | 0 | 109.8 | D379 | D379-L381 PolarHBondContact O-N 2.98Š| ||
| 382 | M | 43.7 | Very low | 47.5 | Very low | 262 Ų | 262 | 155.6 Ų | 155.6 | 100% | 1.291 | 84% | 0.838 | S | S | * | * | trans | -47.1 | 0 | -175.9 | -76.4 | -163.8 | -88.2 | 0 | 0 | 116.7 |
Retrieved 382 of 382 residues in 395.4 ms
(Link to these results)