| 1 | M | 45.5 | Very low | 53.7 | Low | 241 Ų | 241 | 154.8 Ų | 154.8 | 100% | 1.187 | 83% | 0.829 | S | S | * | * | | | | 0 | 106.9 | 0 | -75.2 | -69.9 | -177.9 | 0 | 0 | 107.3 | | |
| 2 | Y | 51.5 | Low | 53.3 | Low | 241 Ų | 241 | 152.3 Ų | 152.3 | 95% | 0.945 | 82% | 0.823 | S | S | * | * | | | trans | -70.5 | 143.4 | 177.2 | -62.3 | -93.2 | 0 | 0 | 0 | 109.7 | | |
| 3 | S | 52.3 | Low | 52.7 | Low | 125 Ų | 125 | 154.1 Ų | 154.1 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | | | trans | -155 | 119.8 | 132.5 | -155.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 4 | R | 52.3 | Low | 52 | Low | 225 Ų | 225 | 153.1 Ų | 153.1 | 85% | 0.849 | 81% | 0.811 | S | S | * | * | | | trans | -86.1 | 164.7 | 172.5 | -163.4 | 178.7 | 179.7 | -177.4 | -1.3 | 107.9 | | |
| 5 | S | 51.8 | Low | 51.5 | Low | 95 Ų | 95 | 149.7 Ų | 149.7 | 66% | 0.664 | 80% | 0.804 | S | S | * | * | | | trans | 126 | 138.9 | 153.2 | -71.9 | 0 | 0 | 0 | 0 | 114.8 | | |
| 6 | D | 55 | Low | 51.3 | Low | 136 Ų | 136 | 150.1 Ų | 150.1 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | cis | -163.4 | 134.6 | -10.3 | -90.9 | -36.2 | 0 | 0 | 0 | 107.1 | | |
| 7 | S | 55.3 | Low | 50.8 | Low | 114 Ų | 114 | 146.4 Ų | 146.4 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | | | trans | -96.1 | 110.9 | 168.6 | 60.2 | 0 | 0 | 0 | 0 | 109.2 | T9 | S7-T9 PolarHBondContact O-N 3.26Š|
| 8 | V | 65.9 | Low | 50.4 | Low | 123 Ų | 123 | 148.5 Ų | 148.5 | 75% | 0.745 | 79% | 0.793 | S | S | * | * | | | trans | -75.7 | 113.1 | 174.3 | 168.9 | 0 | 0 | 0 | 0 | 109.5 | L10 | V8-L10 HydrophobicContact CG1-CD2 4.28Å; V8-L10 HydrophobicContact CG1-CG 4.08Å |
| 9 | T | 53.2 | Low | 50.4 | Low | 121 Ų | 121 | 147.6 Ų | 147.6 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | | | trans | -108.1 | 108.7 | 163.3 | 33 | 0 | 0 | 0 | 0 | 108.7 | S7 T11 | S7-T9 PolarHBondContact O-N 3.26Å; T9-T11 PolarHBondContact O-N 3.21Å |
| 10 | L | 55.7 | Low | 50 | Low | 156 Ų | 156 | 146.2 Ų | 146.2 | 82% | 0.817 | 80% | 0.801 | S | S | * | * | | | trans | -80.9 | 103.1 | 168.8 | -65 | 175.5 | 0 | 0 | 0 | 108.5 | V8 | V8-L10 HydrophobicContact CG1-CD2 4.28Å; V8-L10 HydrophobicContact CG1-CG 4.08Å |
| 11 | T | 52.3 | Low | 49.8 | Very low | 126 Ų | 126 | 142.5 Ų | 142.5 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | | | trans | -87.4 | 106.2 | 164.1 | 53.7 | 0 | 0 | 0 | 0 | 108.3 | T9 Q13 | T9-T11 PolarHBondContact O-N 3.21Å; T11-Q13 PolarHBondContact O-N 3.07Å |
| 12 | V | 48.5 | Very low | 50 | Low | 124 Ų | 124 | 140.1 Ų | 140.1 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | | | trans | -70.7 | 105.9 | 165.3 | 170.5 | 0 | 0 | 0 | 0 | 107.2 | E14 | V12-E14 HydrophobicContact CG1-CG 4Š|
| 13 | Q | 45.5 | Very low | 49.7 | Very low | 176 Ų | 176 | 133.3 Ų | 133.3 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | | | trans | -90.2 | 95.7 | 173.8 | -174.1 | -174.5 | 77.2 | 0 | 0 | 107.3 | T11 S15 | T11-Q13 PolarHBondContact O-N 3.07Å; Q13-S15 PolarHBondContact O-N 3.14Å |
| 14 | E | 43.4 | Very low | 49.7 | Very low | 141 Ų | 141 | 133.4 Ų | 133.4 | 66% | 0.659 | 78% | 0.775 | S | S | * | * | | | trans | -88.2 | 104.3 | 168.8 | -81.1 | -176.9 | 171.7 | 0 | 0 | 109.6 | V12 F16 | V12-E14 HydrophobicContact CG1-CG 4Å; E14-F16 HydrophobicContact CB-CE2 3.71Å; E14-F16 HydrophobicContact CB-CZ 3.86Å; E14-F16 HydrophobicContact CG-CZ 4.35Å; E14-F16 WeakPolarHBondContact OE2-CZ 3.43Å |
| 15 | S | 43.9 | Very low | 49.7 | Very low | 101 Ų | 101 | 134.5 Ų | 134.5 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | | | trans | -78.2 | 111 | 170.8 | 46 | 0 | 0 | 0 | 0 | 110.4 | Q13 | Q13-S15 PolarHBondContact O-N 3.14Š|
| 16 | F | 48.1 | Very low | 49.7 | Very low | 156 Ų | 156 | 135.6 Ų | 135.6 | 68% | 0.684 | 79% | 0.786 | S | S | * | * | | | trans | -111.2 | 97.5 | 161.6 | -51.5 | -72.3 | 0 | 0 | 0 | 108.7 | E14 F18 | E14-F16 HydrophobicContact CB-CE2 3.71Å; E14-F16 HydrophobicContact CB-CZ 3.86Å; E14-F16 HydrophobicContact CG-CZ 4.35Å; E14-F16 WeakPolarHBondContact OE2-CZ 3.43Å; F16-F18 HydrophobicContact CB-CE2 4.49Å |
| 17 | A | 43.7 | Very low | 49.6 | Very low | 87 Ų | 87 | 135.3 Ų | 135.3 | 72% | 0.719 | 79% | 0.79 | S | S | * | * | | | trans | -74.8 | 116.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 18 | F | 43.2 | Very low | 49.5 | Very low | 185 Ų | 185 | 138.8 Ų | 138.8 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | | | trans | -134.4 | 70.7 | 156.9 | -70.4 | -71.6 | 0 | 0 | 0 | 109.1 | F16 S20 | F16-F18 HydrophobicContact CB-CE2 4.49Å; F18-S20 VanDerWaalsContact C-N 3.34Å; F18-S20 PolarHBondContact O-N 2.82Å |
| 19 | S | 49.9 | Very low | 48.9 | Very low | 132 Ų | 132 | 138.1 Ų | 138.1 | 92% | 0.923 | 79% | 0.791 | S | S | * | * | | | trans | -74.5 | 93.5 | 153.2 | -58.2 | 0 | 0 | 0 | 0 | 107.1 | | |
| 20 | S | 42.9 | Very low | 49 | Very low | 118 Ų | 118 | 141.1 Ų | 141.1 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | | | trans | -144 | 121.9 | 170 | -167.5 | 0 | 0 | 0 | 0 | 109.8 | F18 | F18-S20 VanDerWaalsContact C-N 3.34Å; F18-S20 PolarHBondContact O-N 2.82Å |
| 21 | G | 45.9 | Very low | 48.9 | Very low | 70 Ų | 70 | 139.2 Ų | 139.2 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | | | trans | 120.8 | 51.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 117 | A23 | G21-A23 PolarHBondContact O-N 3.25Š|
| 22 | M | 50.8 | Low | 49.2 | Very low | 191 Ų | 191 | 141.7 Ų | 141.7 | 94% | 0.941 | 79% | 0.792 | S | S | * | * | | | trans | -69.2 | 110 | 150.1 | -73.1 | 174.8 | 68 | 0 | 0 | 107.9 | | |
| 23 | A | 44.7 | Very low | 49.5 | Very low | 98 Ų | 98 | 141.2 Ų | 141.2 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | | | trans | -134.1 | 95.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | G21 | G21-A23 PolarHBondContact O-N 3.25Š|
| 24 | T | 51.3 | Low | 50.2 | Low | 127 Ų | 127 | 142.9 Ų | 142.9 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | | | trans | -76 | 114.3 | 169.1 | 47.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 25 | R | 52.2 | Low | 50.8 | Low | 247 Ų | 247 | 144.9 Ų | 144.9 | 93% | 0.932 | 80% | 0.804 | S | S | * | * | | | trans | -146.3 | 111.7 | 155.4 | -76.2 | -162.3 | 170.6 | 162 | -2.8 | 111.5 | | |
| 26 | S | 52.4 | Low | 51.4 | Low | 118 Ų | 118 | 151.1 Ų | 151.1 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | | | trans | -85.1 | 131.2 | 173.2 | 66.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 27 | T | 53.9 | Low | 51.7 | Low | 130 Ų | 130 | 150.9 Ų | 150.9 | 80% | 0.798 | 82% | 0.816 | S | S | * | * | | | trans | -162 | 114.4 | 157.2 | 30.1 | 0 | 0 | 0 | 0 | 111 | | |
| 28 | Q | 52.9 | Low | 52.2 | Low | 188 Ų | 188 | 151.9 Ų | 151.9 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | | | trans | 89.6 | 151.7 | 149.7 | -75.1 | -161 | 21.5 | 0 | 0 | 121.4 | | |
| 29 | P | 52.6 | Low | 52.5 | Low | 108 Ų | 108 | 148.9 Ų | 148.9 | 70% | 0.701 | 82% | 0.815 | S | S | * | * | | | | -107.3 | 168.1 | -124 | 40.6 | -37.2 | 0 | 0 | 0 | 115.7 | | |
| 30 | E | 56 | Low | 52.7 | Low | 184 Ų | 184 | 152.3 Ų | 152.3 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | | | trans | -2.5 | 127.9 | 162.6 | -59 | 178.2 | 166 | 0 | 0 | 117.3 | | |
| 31 | V | 52.1 | Low | 53.2 | Low | 116 Ų | 116 | 151 Ų | 151 | 70% | 0.703 | 81% | 0.812 | S | S | * | * | | | | -168.5 | 149.1 | 104.2 | -174.9 | 0 | 0 | 0 | 0 | 107.9 | | |
| 32 | F | 58.9 | Low | 53.4 | Low | 178 Ų | 178 | 154.2 Ų | 154.2 | 78% | 0.781 | 82% | 0.818 | S | S | * | * | S | Bend | trans | 103.3 | 60.1 | 169.8 | -56 | -75 | 0 | 0 | 0 | 116.9 | | |
| 33 | T | 55.6 | Low | 53.3 | Low | 115 Ų | 115 | 149.6 Ų | 149.6 | 71% | 0.706 | 81% | 0.811 | S | S | * | * | | | | 45.4 | 90.4 | 125.3 | 59.3 | 0 | 0 | 0 | 0 | 118.2 | | |
| 34 | F | 59.6 | Low | 53.5 | Low | 210 Ų | 210 | 151.1 Ų | 151.1 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | | | trans | -151.4 | 116 | 134.8 | -87.9 | -76.7 | 0 | 0 | 0 | 108.1 | | |
| 35 | E | 56.6 | Low | 53.2 | Low | 183 Ų | 183 | 156 Ų | 156 | 86% | 0.855 | 81% | 0.814 | S | S | * | * | | | trans | 52.2 | 104.9 | 153.8 | -137.4 | -176.6 | -167.3 | 0 | 0 | 119.5 | I37 | E35-I37 PolarHBondContact O-N 2.76Å; E35-I37 VanDerWaalsContact O-N 3.12Å |
| 36 | R | 55.8 | Low | 53.2 | Low | 232 Ų | 232 | 149.6 Ų | 149.6 | 88% | 0.875 | 81% | 0.807 | S | S | * | * | | | trans | -50.3 | 109.4 | 163.1 | 177.5 | -179.4 | -69.4 | 158.9 | -2.2 | 111.2 | P38 | R36-P38 WeakPolarHBondContact O-CD 3.32Š|
| 37 | I | 54.4 | Low | 53.2 | Low | 151 Ų | 151 | 154.2 Ų | 154.2 | 77% | 0.774 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 124.3 | 167.1 | -55.4 | 167.5 | 0 | 0 | 0 | 108.3 | E35 | E35-I37 PolarHBondContact O-N 2.76Å; E35-I37 VanDerWaalsContact O-N 3.12Å |
| 38 | P | 53.9 | Low | 53.2 | Low | 108 Ų | 108 | 152.6 Ų | 152.6 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 134.4 | 170.9 | -17.2 | 30.4 | 0 | 0 | 0 | 110.9 | R36 | R36-P38 WeakPolarHBondContact O-CD 3.32Š|
| 39 | P | 49.2 | Very low | 53.5 | Low | 123 Ų | 123 | 149.2 Ų | 149.2 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 144.7 | 176.5 | 27.2 | -32.3 | 0 | 0 | 0 | 111.4 | A41 | P39-A41 PolarHBondContact O-N 3.25Š|
| 40 | Q | 55.4 | Low | 53.7 | Low | 203 Ų | 203 | 151.6 Ų | 151.6 | 95% | 0.949 | 80% | 0.797 | S | S | * | * | | | trans | -45.4 | 118.3 | -178.1 | -63.7 | -177.9 | 13 | 0 | 0 | 114 | | |
| 41 | A | 54 | Low | 54.2 | Low | 90 Ų | 90 | 153.4 Ų | 153.4 | 74% | 0.744 | 80% | 0.796 | S | S | * | * | | | trans | -155.1 | 122.9 | 152.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | P39 | P39-A41 PolarHBondContact O-N 3.25Š|
| 42 | T | 49.2 | Very low | 54.7 | Low | 138 Ų | 138 | 153.8 Ų | 153.8 | 85% | 0.847 | 80% | 0.801 | S | S | * | * | | | trans | 161.5 | 85.8 | 152.5 | -66 | 0 | 0 | 0 | 0 | 106.7 | | |
| 43 | A | 48.2 | Very low | 54.6 | Low | 95 Ų | 95 | 153 Ų | 153 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | | | | 78.1 | 126.5 | 85.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 44 | V | 49.6 | Very low | 54.9 | Low | 129 Ų | 129 | 157 Ų | 157 | 78% | 0.782 | 80% | 0.804 | S | S | * | * | | | trans | -69.8 | 154.1 | -174 | 165.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 45 | R | 45.8 | Very low | 54.9 | Low | 230 Ų | 230 | 155.9 Ų | 155.9 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | | | trans | 77.2 | 118.5 | 160.7 | -88.2 | 176 | -169 | -119.8 | 5.8 | 118.5 | | |
| 46 | S | 51.4 | Low | 55 | Low | 113 Ų | 113 | 153.5 Ų | 153.5 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | | | | 146.8 | 139.3 | 99.6 | 62.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 47 | Y | 51.4 | Low | 55.3 | Low | 214 Ų | 214 | 148.4 Ų | 148.4 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | | | trans | 67 | 146.5 | 145.5 | -140.5 | -109.1 | 0 | 0 | 0 | 121 | | |
| 48 | V | 55.4 | Low | 55.6 | Low | 96 Ų | 96 | 152.4 Ų | 152.4 | 58% | 0.582 | 80% | 0.796 | S | S | * | * | | | trans | 101.9 | 115 | 166.3 | -166.8 | 0 | 0 | 0 | 0 | 115.8 | I50 | V48-I50 HydrophobicContact CG1-CG1 4.27Å; V48-I50 PolarHBondContact O-N 3.4Å |
| 49 | P | 57.7 | Low | 56 | Low | 118 Ų | 118 | 151.9 Ų | 151.9 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | | | trans | -73.4 | 108.8 | 166 | 29.6 | -29 | 0 | 0 | 0 | 109.4 | R51 | P49-R51 PolarHBondContact O-N 3.07Š|
| 50 | I | 57.4 | Low | 57 | Low | 157 Ų | 157 | 154.3 Ų | 154.3 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | | | trans | -88.2 | 96.1 | -177.6 | -58 | 172.4 | 0 | 0 | 0 | 109.4 | V48 | V48-I50 HydrophobicContact CG1-CG1 4.27Å; V48-I50 PolarHBondContact O-N 3.4Å |
| 51 | R | 66.4 | Low | 57.6 | Low | 222 Ų | 222 | 153.1 Ų | 153.1 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | | | trans | 4.2 | 144.5 | 156.9 | -57.4 | -174.3 | -175.1 | -144.1 | 1.3 | 118.8 | P49 K53 | P49-R51 PolarHBondContact O-N 3.07Å; R51-K53 PolarHBondContact O-N 2.72Å; R51-K53 VanDerWaalsContact O-N 3.14Å |
| 52 | P | 62.8 | Low | 58.3 | Low | 124 Ų | 124 | 153.3 Ų | 153.3 | 81% | 0.805 | 78% | 0.775 | S | S | * | * | | | trans | -58.2 | 119.6 | 179.3 | 25.3 | -34.2 | 0 | 0 | 0 | 111.3 | K54 | P52-K54 VanDerWaalsContact C-N 3.29Å; P52-K54 PolarHBondContact O-N 2.88Å |
| 53 | K | 56.9 | Low | 58.9 | Low | 163 Ų | 163 | 150.6 Ų | 150.6 | 71% | 0.709 | 77% | 0.767 | S | S | * | * | | | trans | -70.4 | 82 | -179.2 | -174.7 | 173.3 | 176 | -178.6 | 0 | 110 | R51 R55 | R51-K53 PolarHBondContact O-N 2.72Å; R51-K53 VanDerWaalsContact O-N 3.14Å; K53-R55 HydrophobicContact CG-CG 3.99Å; K53-R55 PolarHBondContact O-N 3.38Å |
| 54 | K | 61.3 | Low | 59.4 | Low | 197 Ų | 197 | 155 Ų | 155 | 86% | 0.857 | 77% | 0.769 | S | S | * | * | | | trans | -56.2 | 108.6 | 159.4 | -77.1 | -170 | 174.6 | -175.3 | 0 | 108.2 | P52 | P52-K54 VanDerWaalsContact C-N 3.29Å; P52-K54 PolarHBondContact O-N 2.88Å |
| 55 | R | 60.2 | Low | 59.7 | Low | 188 Ų | 188 | 155.2 Ų | 155.2 | 71% | 0.709 | 77% | 0.77 | S | S | * | * | | | trans | -126.7 | 59.9 | 159.5 | -68.5 | -163.1 | -175.1 | -153.1 | 8.1 | 110.4 | K53 T57 | K53-R55 HydrophobicContact CG-CG 3.99Å; K53-R55 PolarHBondContact O-N 3.38Å; R55-T57 PolarHBondContact O-N 3.18Å |
| 56 | C | 59.4 | Low | 60.4 | Low | 132 Ų | 132 | 154.9 Ų | 154.9 | 89% | 0.892 | 77% | 0.768 | S | S | * | * | | | trans | -80.5 | 69.7 | 150.1 | -75 | 0 | 0 | 0 | 0 | 108.4 | | |
| 57 | T | 61.2 | Low | 60.6 | Low | 126 Ų | 126 | 156.5 Ų | 156.5 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | | | trans | -154.7 | 51.2 | 172.2 | 44.2 | 0 | 0 | 0 | 0 | 110.2 | R55 | R55-T57 PolarHBondContact O-N 3.18Š|
| 58 | R | 61.1 | Low | 60.9 | Low | 235 Ų | 235 | 155.5 Ų | 155.5 | 89% | 0.887 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -102.6 | 126.9 | 139.6 | -149.4 | 172.1 | -172.9 | 176.7 | 1 | 104.1 | M60 | R58-M60 VanDerWaalsContact C-N 3.28Å; R58-M60 PolarHBondContact O-N 3.12Å |
| 59 | V | 62.8 | Low | 61.3 | Low | 96 Ų | 96 | 157.1 Ų | 157.1 | 58% | 0.582 | 77% | 0.773 | S | S | * | * | | | trans | -51.7 | 104.1 | 172.4 | -175.8 | 0 | 0 | 0 | 0 | 106 | Y61 | V59-Y61 HydrophobicContact CB-CD2 3.88Å; V59-Y61 HydrophobicContact CB-CE2 3.5Å; V59-Y61 HydrophobicContact CG1-CD1 3.79Å; V59-Y61 HydrophobicContact CG1-CD2 3.55Å; V59-Y61 HydrophobicContact CG1-CE1 3.56Å; V59-Y61 HydrophobicContact CG1-CE2 3.31Å; V59-Y61 HydrophobicContact CG1-CG 3.79Å; V59-Y61 HydrophobicContact CG2-CE2 4.34Å; V59-Y61 PolarHBondContact O-N 3.18Å |
| 60 | M | 68.5 | Low | 61.6 | Low | 174 Ų | 174 | 156.5 Ų | 156.5 | 86% | 0.857 | 77% | 0.769 | S | S | * | * | | | trans | -78.1 | 77.1 | 169.9 | -172.3 | 163 | 68.7 | 0 | 0 | 104.1 | R58 | R58-M60 VanDerWaalsContact C-N 3.28Å; R58-M60 PolarHBondContact O-N 3.12Å |
| 61 | Y | 68.7 | Low | 62.2 | Low | 179 Ų | 179 | 154.2 Ų | 154.2 | 70% | 0.702 | 76% | 0.764 | S | S | * | * | | | trans | -50.3 | 133.6 | 160 | -66.4 | -75.6 | 0 | 0 | 0 | 105.7 | V59 A63 | V59-Y61 HydrophobicContact CB-CD2 3.88Å; V59-Y61 HydrophobicContact CB-CE2 3.5Å; V59-Y61 HydrophobicContact CG1-CD1 3.79Å; V59-Y61 HydrophobicContact CG1-CD2 3.55Å; V59-Y61 HydrophobicContact CG1-CE1 3.56Å; V59-Y61 HydrophobicContact CG1-CE2 3.31Å; V59-Y61 HydrophobicContact CG1-CG 3.79Å; V59-Y61 HydrophobicContact CG2-CE2 4.34Å; V59-Y61 PolarHBondContact O-N 3.18Å; Y61-A63 PolarHBondContact O-N 2.57Å |
| 62 | P | 68.8 | Low | 62.1 | Low | 93 Ų | 93 | 149.6 Ų | 149.6 | 60% | 0.604 | 76% | 0.763 | S | S | * | * | | | trans | -46.5 | 127.2 | 179.5 | -25.4 | 31.6 | 0 | 0 | 0 | 108.3 | K64 | P62-K64 HydrophobicContact CB-CB 4.19Å; P62-K64 HydrophobicContact CB-CD 4.38Å; P62-K64 HydrophobicContact CB-CG 4.25Å; P62-K64 PolarHBondContact O-N 3.46Å |
| 63 | A | 61.4 | Low | 62.2 | Low | 82 Ų | 82 | 150.2 Ų | 150.2 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -69 | 31.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y61 | Y61-A63 PolarHBondContact O-N 2.57Š|
| 64 | K | 59.9 | Low | 62.7 | Low | 188 Ų | 188 | 151.1 Ų | 151.1 | 82% | 0.817 | 75% | 0.754 | S | S | * | * | | | trans | -106.4 | 39 | 178.7 | -58.4 | 178.4 | -179.1 | 176.4 | 0 | 109.3 | P62 | P62-K64 HydrophobicContact CB-CB 4.19Å; P62-K64 HydrophobicContact CB-CD 4.38Å; P62-K64 HydrophobicContact CB-CG 4.25Å; P62-K64 PolarHBondContact O-N 3.46Å |
| 65 | V | 55.1 | Low | 63.6 | Low | 133 Ų | 133 | 143.7 Ų | 143.7 | 81% | 0.806 | 73% | 0.727 | S | S | * | * | | | trans | -132.7 | 35.9 | 154.2 | -164.2 | 0 | 0 | 0 | 0 | 107.7 | M67 | V65-M67 VanDerWaalsContact C-N 3.29Å; V65-M67 PolarHBondContact O-N 2.64Å |
| 66 | R | 61 | Low | 64.7 | Low | 222 Ų | 222 | 139.9 Ų | 139.9 | 84% | 0.838 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -67.5 | 111.8 | 143.8 | -67.4 | -178.2 | 113.6 | 119.1 | -0.9 | 102.2 | | |
| 67 | M | 55.8 | Low | 66 | Low | 148 Ų | 148 | 137 Ų | 137 | 73% | 0.729 | 70% | 0.703 | S | S | * | * | | | trans | -25.2 | 155.5 | 178.9 | -67.1 | 136.3 | 79.5 | 0 | 0 | 112.2 | V65 L69 | V65-M67 VanDerWaalsContact C-N 3.29Å; V65-M67 PolarHBondContact O-N 2.64Å; M67-L69 PolarHBondContact O-N 2.92Å |
| 68 | H | 57.7 | Low | 67.1 | Low | 192 Ų | 192 | 138.2 Ų | 138.2 | 89% | 0.889 | 70% | 0.697 | S | S | * | * | | | trans | -47.3 | 85.9 | 143.2 | -63.9 | -91.1 | 0 | 0 | 0 | 107.6 | P70 | H68-P70 VanDerWaalsContact O-CD 3.27Å; H68-P70 WeakPolarHBondContact O-CD 3.27Å; H68-P70 VanDerWaalsContact O-N 3.13Å |
| 69 | L | 63.5 | Low | 68.5 | Low | 130 Ų | 130 | 131.7 Ų | 131.7 | 68% | 0.681 | 67% | 0.673 | S | S | * | * | | | trans | -63.4 | 116.4 | 161.2 | -136 | 79.7 | 0 | 0 | 0 | 100.1 | M67 | M67-L69 PolarHBondContact O-N 2.92Š|
| 70 | P | 63.8 | Low | 70.1 | Confident | 105 Ų | 105 | 135.4 Ų | 135.4 | 68% | 0.682 | 68% | 0.676 | S | S | * | * | | | trans | -45.8 | 126.8 | 174.9 | 17.6 | -29 | 0 | 0 | 0 | 105.8 | H68 P72 | H68-P70 VanDerWaalsContact O-CD 3.27Å; H68-P70 WeakPolarHBondContact O-CD 3.27Å; H68-P70 VanDerWaalsContact O-N 3.13Å; P70-P72 VanDerWaalsContact O-N 3.17Å |
| 71 | P | 69.8 | Low | 71.4 | Confident | 110 Ų | 110 | 133 Ų | 133 | 71% | 0.714 | 67% | 0.666 | S | S | * | * | | | trans | -40.8 | 128.2 | -168.5 | -29.1 | 31.3 | 0 | 0 | 0 | 108.3 | E73 | P71-E73 VanDerWaalsContact C-N 3.28Å; P71-E73 VanDerWaalsContact O-CA 3.32Å; P71-E73 WeakPolarHBondContact O-CA 3.49Å; P71-E73 PolarHBondContact O-N 3.24Å |
| 72 | P | 64.3 | Low | 72.6 | Confident | 125 Ų | 125 | 128.3 Ų | 128.3 | 81% | 0.812 | 66% | 0.656 | S | S | * | * | | | trans | -48.6 | 99.8 | -170.7 | 18.5 | -31.7 | 0 | 0 | 0 | 108.2 | P70 R74 | P70-P72 VanDerWaalsContact O-N 3.17Å; P72-R74 PolarHBondContact O-N 3.26Å |
| 73 | E | 65.5 | Low | 73.9 | Confident | 136 Ų | 136 | 128 Ų | 128 | 64% | 0.636 | 65% | 0.649 | S | S | * | * | | | trans | -73.5 | 108.8 | -167.9 | -163.6 | -169.2 | 165.6 | 0 | 0 | 103.3 | P71 S75 Q76 | P71-E73 VanDerWaalsContact C-N 3.28Å; P71-E73 VanDerWaalsContact O-CA 3.32Å; P71-E73 WeakPolarHBondContact O-CA 3.49Å; P71-E73 PolarHBondContact O-N 3.24Å; E73-S75 PolarHBondContact O-N 3.13Å; E73-Q76 PolarHBondContact OE1-NE2 2.86Å |
| 74 | R | 67.1 | Low | 75.5 | Confident | 182 Ų | 182 | 129.5 Ų | 129.5 | 69% | 0.687 | 65% | 0.645 | S | S | * | * | | | trans | -56.6 | 93.6 | 172.2 | 32.7 | 162.8 | -171.4 | 160.7 | 5 | 106.8 | P72 Q76 R79 | P72-R74 PolarHBondContact O-N 3.26Å; R74-Q76 PolarHBondContact O-N 3.12Å; R74-Q76 VanDerWaalsContact O-N 3.1Å; R74-R79 VanDerWaalsContact CD-CZ 3.44Å; R74-R79 VanDerWaalsContact CZ-NH1 3.28Å; R74-R79 VanDerWaalsContact NE-CZ 3.34Å; R74-R79 PolarHBondContact O-NH2 3.1Å; R74-R79 VanDerWaalsContact O-NH2 3.13Å |
| 75 | S | 79.3 | Confident | 77.2 | Confident | 41 Ų | 41 | 123.6 Ų | 123.6 | 29% | 0.287 | 63% | 0.626 | S | S | . | * | | | trans | -39.5 | 111.6 | -168.1 | 49.2 | 0 | 0 | 0 | 0 | 110.2 | E73 A77 K78 | E73-S75 PolarHBondContact O-N 3.13Å; S75-A77 PolarHBondContact O-N 2.68Å; S75-A77 VanDerWaalsContact O-N 3.12Å; S75-K78 WeakPolarHBondContact O-CB 3.25Å; S75-K78 PolarHBondContact O-N 2.89Å; S75-K78 WeakPolarHBondContact OG-CB 3.03Å; S75-K78 WeakPolarHBondContact OG-CD 3.41Å; S75-K78 VanDerWaalsContact OG-CE 3.25Å; S75-K78 WeakPolarHBondContact OG-CE 3.45Å; S75-K78 WeakPolarHBondContact OG-CG 3.35Å |
| 76 | Q | 83.5 | Confident | 79.2 | Confident | 108 Ų | 108 | 122.6 Ų | 122.6 | 51% | 0.505 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -52.6 | -36.9 | -178.3 | -59.6 | -179 | 11.8 | 0 | 0 | 110.9 | E73 R74 K78 R79 W80 | E73-Q76 PolarHBondContact OE1-NE2 2.86Å; R74-Q76 PolarHBondContact O-N 3.12Å; R74-Q76 VanDerWaalsContact O-N 3.1Å; Q76-K78 VanDerWaalsContact C-N 3.3Å; Q76-K78 PolarHBondContact O-N 2.97Å; Q76-R79 WeakPolarHBondContact O-CA 3.43Å; Q76-R79 WeakPolarHBondContact O-CB 3.26Å; Q76-R79 PolarHBondContact O-N 3.4Å; Q76-W80 VanDerWaalsContact O-CD1 3.25Å; Q76-W80 PolarHBondContact O-N 3.02Å |
| 77 | A | 87.4 | Confident | 80.8 | Confident | 72 Ų | 72 | 115.3 Ų | 115.3 | 60% | 0.595 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -51.7 | -42.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | S75 R79 W80 L81 | S75-A77 PolarHBondContact O-N 2.68Å; S75-A77 VanDerWaalsContact O-N 3.12Å; A77-R79 VanDerWaalsContact C-N 3.29Å; A77-R79 PolarHBondContact O-N 3.42Å; A77-W80 PolarHBondContact O-N 3.24Å; A77-L81 VanDerWaalsContact O-CB 3.27Å; A77-L81 WeakPolarHBondContact O-CB 3.44Å; A77-L81 PolarHBondContact O-N 3.08Å |
| 78 | K | 84.8 | Confident | 82.7 | Confident | 151 Ų | 151 | 111 Ų | 111 | 66% | 0.657 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.4 | -35.5 | 176.1 | -72.2 | -179.5 | -164.7 | 178.3 | 0 | 111.7 | S75 Q76 V82 | S75-K78 WeakPolarHBondContact O-CB 3.25Å; S75-K78 PolarHBondContact O-N 2.89Å; S75-K78 WeakPolarHBondContact OG-CB 3.03Å; S75-K78 WeakPolarHBondContact OG-CD 3.41Å; S75-K78 VanDerWaalsContact OG-CE 3.25Å; S75-K78 WeakPolarHBondContact OG-CE 3.45Å; S75-K78 WeakPolarHBondContact OG-CG 3.35Å; Q76-K78 VanDerWaalsContact C-N 3.3Å; Q76-K78 PolarHBondContact O-N 2.97Å; K78-V82 VanDerWaalsContact O-CG2 3.26Å; K78-V82 WeakPolarHBondContact O-CG2 3.47Å; K78-V82 PolarHBondContact O-N 2.91Å; K78-V82 VanDerWaalsContact O-N 3.09Å |
| 79 | R | 90.8 | Very high | 84.3 | Confident | 99 Ų | 99 | 106.5 Ų | 106.5 | 37% | 0.374 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -71.8 | -44.9 | 177.4 | -56.6 | -167.6 | -144 | 155.1 | 22.2 | 111.3 | R74 Q76 A77 L81 V82 I83 | R74-R79 VanDerWaalsContact CD-CZ 3.44Å; R74-R79 VanDerWaalsContact CZ-NH1 3.28Å; R74-R79 VanDerWaalsContact NE-CZ 3.34Å; R74-R79 PolarHBondContact O-NH2 3.1Å; R74-R79 VanDerWaalsContact O-NH2 3.13Å; Q76-R79 WeakPolarHBondContact O-CA 3.43Å; Q76-R79 WeakPolarHBondContact O-CB 3.26Å; Q76-R79 PolarHBondContact O-N 3.4Å; A77-R79 VanDerWaalsContact C-N 3.29Å; A77-R79 PolarHBondContact O-N 3.42Å; R79-L81 VanDerWaalsContact C-N 3.31Å; R79-L81 PolarHBondContact O-N 3.31Å; R79-V82 PolarHBondContact O-N 3.24Å; R79-I83 VanDerWaalsContact O-CG1 3.25Å; R79-I83 WeakPolarHBondContact O-CG1 3.05Å; R79-I83 PolarHBondContact O-N 3.09Å |
| 80 | W | 95.4 | Very high | 85.7 | Confident | 173 Ų | 173 | 108.9 Ų | 108.9 | 66% | 0.655 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -60.3 | -40.4 | 174.6 | -77.6 | 110.3 | 0 | 0 | 0 | 112.3 | Q76 A77 I83 L84 | Q76-W80 VanDerWaalsContact O-CD1 3.25Å; Q76-W80 PolarHBondContact O-N 3.02Å; A77-W80 PolarHBondContact O-N 3.24Å; W80-I83 PolarHBondContact O-N 3.44Å; W80-L84 WeakPolarHBondContact O-CB 3.35Å; W80-L84 PolarHBondContact O-N 2.85Å |
| 81 | L | 95.1 | Very high | 87 | Confident | 123 Ų | 123 | 108.3 Ų | 108.3 | 64% | 0.644 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.9 | -42.4 | 175.6 | -174.5 | 128.5 | 0 | 0 | 0 | 112 | A77 R79 L84 C85 | A77-L81 VanDerWaalsContact O-CB 3.27Å; A77-L81 WeakPolarHBondContact O-CB 3.44Å; A77-L81 PolarHBondContact O-N 3.08Å; R79-L81 VanDerWaalsContact C-N 3.31Å; R79-L81 PolarHBondContact O-N 3.31Å; L81-L84 PolarHBondContact O-N 3.32Å; L81-C85 WeakPolarHBondContact O-CB 3.25Å; L81-C85 PolarHBondContact O-N 3.4Å |
| 82 | V | 95.1 | Very high | 87.9 | Confident | 82 Ų | 82 | 107.9 Ų | 107.9 | 50% | 0.497 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64 | -42.5 | 174.7 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | K78 R79 C85 L86 | K78-V82 VanDerWaalsContact O-CG2 3.26Å; K78-V82 WeakPolarHBondContact O-CG2 3.47Å; K78-V82 PolarHBondContact O-N 2.91Å; K78-V82 VanDerWaalsContact O-N 3.09Å; R79-V82 PolarHBondContact O-N 3.24Å; V82-C85 PolarHBondContact O-N 2.92Å; V82-L86 HydrophobicContact CG1-CD1 4.25Å; V82-L86 WeakPolarHBondContact O-CG 3.43Å; V82-L86 PolarHBondContact O-N 3.29Å |
| 83 | I | 95.7 | Very high | 89 | Confident | 87 Ų | 87 | 111.5 Ų | 111.5 | 45% | 0.446 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.5 | -50.3 | 176.2 | -67.9 | 162.5 | 0 | 0 | 0 | 110.5 | R79 W80 C85 L86 V87 | R79-I83 VanDerWaalsContact O-CG1 3.25Å; R79-I83 WeakPolarHBondContact O-CG1 3.05Å; R79-I83 PolarHBondContact O-N 3.09Å; W80-I83 PolarHBondContact O-N 3.44Å; I83-C85 VanDerWaalsContact C-N 3.29Å; I83-C85 PolarHBondContact O-N 3.4Å; I83-L86 PolarHBondContact O-N 3.49Å; I83-V87 WeakPolarHBondContact O-CG2 3.28Å; I83-V87 PolarHBondContact O-N 3.32Å |
| 84 | L | 95.8 | Very high | 89.8 | Confident | 113 Ų | 113 | 109 Ų | 109 | 59% | 0.592 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.2 | -41.7 | 178.1 | -173.8 | 69.8 | 0 | 0 | 0 | 111.2 | W80 L81 L86 V87 V88 | W80-L84 WeakPolarHBondContact O-CB 3.35Å; W80-L84 PolarHBondContact O-N 2.85Å; L81-L84 PolarHBondContact O-N 3.32Å; L84-L86 PolarHBondContact O-N 2.95Å; L84-V87 PolarHBondContact O-N 2.99Å; L84-V88 HydrophobicContact CG-CG2 4.48Å; L84-V88 VanDerWaalsContact O-CG2 3.31Å; L84-V88 WeakPolarHBondContact O-CG2 3.46Å; L84-V88 PolarHBondContact O-N 3.47Å |
| 85 | C | 95.3 | Very high | 90.2 | Very high | 63 Ų | 63 | 105.3 Ų | 105.3 | 43% | 0.426 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.1 | -42.1 | 177.9 | -171.7 | 0 | 0 | 0 | 0 | 111.8 | L81 V82 I83 V88 L89 | L81-C85 WeakPolarHBondContact O-CB 3.25Å; L81-C85 PolarHBondContact O-N 3.4Å; V82-C85 PolarHBondContact O-N 2.92Å; I83-C85 VanDerWaalsContact C-N 3.29Å; I83-C85 PolarHBondContact O-N 3.4Å; C85-V88 PolarHBondContact O-N 2.95Å; C85-L89 VanDerWaalsContact O-CB 3.28Å; C85-L89 WeakPolarHBondContact O-CB 3.12Å; C85-L89 WeakPolarHBondContact O-CD1 3.28Å; C85-L89 VanDerWaalsContact O-CG 3.26Å; C85-L89 WeakPolarHBondContact O-CG 3.26Å; C85-L89 PolarHBondContact O-N 3.24Å |
| 86 | L | 96.3 | Very high | 89.3 | Confident | 112 Ų | 112 | 111.3 Ų | 111.3 | 59% | 0.586 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.4 | -41.3 | 173.9 | -71.6 | 173 | 0 | 0 | 0 | 112 | V82 I83 L84 L89 W90 | V82-L86 HydrophobicContact CG1-CD1 4.25Å; V82-L86 WeakPolarHBondContact O-CG 3.43Å; V82-L86 PolarHBondContact O-N 3.29Å; I83-L86 PolarHBondContact O-N 3.49Å; L84-L86 PolarHBondContact O-N 2.95Å; L86-L89 PolarHBondContact O-N 2.98Å; L86-W90 WeakPolarHBondContact O-CB 3.18Å; L86-W90 PolarHBondContact O-N 2.87Å |
| 87 | V | 95.3 | Very high | 88.3 | Confident | 69 Ų | 69 | 110.8 Ų | 110.8 | 42% | 0.418 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.5 | -45.7 | 176.9 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | I83 L84 W90 Q91 | I83-V87 WeakPolarHBondContact O-CG2 3.28Å; I83-V87 PolarHBondContact O-N 3.32Å; L84-V87 PolarHBondContact O-N 2.99Å; V87-W90 WeakPolarHBondContact O-CB 3.27Å; V87-W90 PolarHBondContact O-N 2.87Å; V87-Q91 VanDerWaalsContact O-CG 3.31Å; V87-Q91 WeakPolarHBondContact O-CG 3.46Å; V87-Q91 PolarHBondContact O-N 3.39Å |
| 88 | V | 94.4 | Very high | 86.7 | Confident | 58 Ų | 58 | 113.3 Ų | 113.3 | 35% | 0.352 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.4 | -43.4 | 177.8 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | L84 C85 W90 Q91 I92 | L84-V88 HydrophobicContact CG-CG2 4.48Å; L84-V88 VanDerWaalsContact O-CG2 3.31Å; L84-V88 WeakPolarHBondContact O-CG2 3.46Å; L84-V88 PolarHBondContact O-N 3.47Å; C85-V88 PolarHBondContact O-N 2.95Å; V88-W90 VanDerWaalsContact C-N 3.28Å; V88-W90 PolarHBondContact O-N 3.13Å; V88-Q91 WeakPolarHBondContact O-CB 3.32Å; V88-Q91 PolarHBondContact O-N 2.95Å; V88-I92 HydrophobicContact CG1-CD1 3.8Å; V88-I92 VanDerWaalsContact O-CG1 3.27Å; V88-I92 WeakPolarHBondContact O-CG1 3.41Å; V88-I92 PolarHBondContact O-N 3.44Å |
| 89 | L | 93.1 | Very high | 85.4 | Confident | 97 Ų | 97 | 111.9 Ų | 111.9 | 51% | 0.508 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.4 | -36 | 175.3 | -77.1 | 163.3 | 0 | 0 | 0 | 111.7 | C85 L86 I92 Y93 | C85-L89 VanDerWaalsContact O-CB 3.28Å; C85-L89 WeakPolarHBondContact O-CB 3.12Å; C85-L89 WeakPolarHBondContact O-CD1 3.28Å; C85-L89 VanDerWaalsContact O-CG 3.26Å; C85-L89 WeakPolarHBondContact O-CG 3.26Å; C85-L89 PolarHBondContact O-N 3.24Å; L86-L89 PolarHBondContact O-N 2.98Å; L89-I92 PolarHBondContact O-N 3.08Å; L89-Y93 WeakPolarHBondContact O-CB 3.38Å; L89-Y93 PolarHBondContact O-N 3.28Å |
| 90 | W | 91.9 | Very high | 83.3 | Confident | 181 Ų | 181 | 114.4 Ų | 114.4 | 69% | 0.686 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -67.4 | -42.5 | 174.8 | -171.4 | -71.6 | 0 | 0 | 0 | 111.3 | L86 V87 V88 Y93 T94 | L86-W90 WeakPolarHBondContact O-CB 3.18Å; L86-W90 PolarHBondContact O-N 2.87Å; V87-W90 WeakPolarHBondContact O-CB 3.27Å; V87-W90 PolarHBondContact O-N 2.87Å; V88-W90 VanDerWaalsContact C-N 3.28Å; V88-W90 PolarHBondContact O-N 3.13Å; W90-Y93 PolarHBondContact O-N 2.81Å; W90-T94 HydrophobicContact CG-CG2 4.4Å; W90-T94 WeakPolarHBondContact O-CB 3.47Å; W90-T94 WeakPolarHBondContact O-CG2 3.17Å; W90-T94 PolarHBondContact O-N 2.85Å; W90-T94 PolarHBondContact O-OG1 3.33Å |
| 91 | Q | 91.6 | Very high | 81 | Confident | 93 Ų | 93 | 112.3 Ų | 112.3 | 44% | 0.435 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -53.7 | -58.9 | 171 | -75 | 169.3 | -13.4 | 0 | 0 | 108.7 | V87 V88 Y93 T94 E95 | V87-Q91 VanDerWaalsContact O-CG 3.31Å; V87-Q91 WeakPolarHBondContact O-CG 3.46Å; V87-Q91 PolarHBondContact O-N 3.39Å; V88-Q91 WeakPolarHBondContact O-CB 3.32Å; V88-Q91 PolarHBondContact O-N 2.95Å; Q91-Y93 PolarHBondContact O-N 3.48Å; Q91-Y93 VanDerWaalsContact O-N 3.13Å; Q91-T94 PolarHBondContact O-N 3.49Å; Q91-T94 VanDerWaalsContact O-N 3.08Å; Q91-T94 PolarHBondContact O-OG1 3.5Å; Q91-E95 WeakPolarHBondContact O-CB 3.39Å; Q91-E95 WeakPolarHBondContact O-CG 3.31Å; Q91-E95 PolarHBondContact O-N 3.23Å |
| 92 | I | 88.8 | Confident | 79.2 | Confident | 100 Ų | 100 | 111.8 Ų | 111.8 | 51% | 0.513 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -59 | -33 | -178.5 | -63 | 163.9 | 0 | 0 | 0 | 113 | V88 L89 E95 | V88-I92 HydrophobicContact CG1-CD1 3.8Å; V88-I92 VanDerWaalsContact O-CG1 3.27Å; V88-I92 WeakPolarHBondContact O-CG1 3.41Å; V88-I92 PolarHBondContact O-N 3.44Å; L89-I92 PolarHBondContact O-N 3.08Å; I92-E95 WeakPolarHBondContact CA-OE1 3.39Å; I92-E95 PolarHBondContact N-OE1 2.91Å; I92-E95 VanDerWaalsContact O-O 3.14Å |
| 93 | Y | 86.5 | Confident | 77.1 | Confident | 201 Ų | 201 | 116 Ų | 116 | 79% | 0.788 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -80.4 | -32.2 | -179.3 | -178 | -98.2 | 0 | 0 | 0 | 113.1 | L89 W90 Q91 | L89-Y93 WeakPolarHBondContact O-CB 3.38Å; L89-Y93 PolarHBondContact O-N 3.28Å; W90-Y93 PolarHBondContact O-N 2.81Å; Q91-Y93 PolarHBondContact O-N 3.48Å; Q91-Y93 VanDerWaalsContact O-N 3.13Å |
| 94 | T | 83.7 | Confident | 74.2 | Confident | 85 Ų | 85 | 117.9 Ų | 117.9 | 52% | 0.521 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -94.1 | -20.9 | -179.6 | 56.3 | 0 | 0 | 0 | 0 | 113.1 | W90 Q91 | W90-T94 HydrophobicContact CG-CG2 4.4Å; W90-T94 WeakPolarHBondContact O-CB 3.47Å; W90-T94 WeakPolarHBondContact O-CG2 3.17Å; W90-T94 PolarHBondContact O-N 2.85Å; W90-T94 PolarHBondContact O-OG1 3.33Å; Q91-T94 PolarHBondContact O-N 3.49Å; Q91-T94 VanDerWaalsContact O-N 3.08Å; Q91-T94 PolarHBondContact O-OG1 3.5Å |
| 95 | E | 73.6 | Confident | 72.3 | Confident | 103 Ų | 103 | 116.4 Ų | 116.4 | 48% | 0.481 | 64% | 0.642 | S | S | . | * | S | Bend | trans | -85.4 | 106.8 | 168 | 73.4 | -145.1 | 171.4 | 0 | 0 | 108.8 | Q91 I92 | Q91-E95 WeakPolarHBondContact O-CB 3.39Å; Q91-E95 WeakPolarHBondContact O-CG 3.31Å; Q91-E95 PolarHBondContact O-N 3.23Å; I92-E95 WeakPolarHBondContact CA-OE1 3.39Å; I92-E95 PolarHBondContact N-OE1 2.91Å; I92-E95 VanDerWaalsContact O-O 3.14Å |
| 96 | E | 61.7 | Low | 69.9 | Low | 168 Ų | 168 | 121.4 Ų | 121.4 | 79% | 0.785 | 66% | 0.664 | S | S | * | * | | | trans | -52.9 | 125.5 | 162.5 | -71 | -81.9 | 153.9 | 0 | 0 | 107.2 | C98 | E96-C98 PolarHBondContact O-N 3.44Š|
| 97 | P | 62.5 | Low | 67.4 | Low | 96 Ų | 96 | 119.2 Ų | 119.2 | 62% | 0.623 | 67% | 0.669 | S | S | * | * | | | trans | -62.7 | 105.4 | 178.4 | 25.9 | -32.4 | 0 | 0 | 0 | 107.1 | V99 | P97-V99 WeakPolarHBondContact O-CG2 3.47Å; P97-V99 PolarHBondContact O-N 3.39Å |
| 98 | C | 53.6 | Low | 65.1 | Low | 126 Ų | 126 | 121.9 Ų | 121.9 | 85% | 0.851 | 69% | 0.691 | S | S | * | * | | | trans | -66.5 | 74.5 | 170.2 | -72 | 0 | 0 | 0 | 0 | 108.9 | E96 D100 | E96-C98 PolarHBondContact O-N 3.44Å; C98-D100 PolarHBondContact O-N 3.33Å |
| 99 | V | 56.7 | Low | 62.6 | Low | 120 Ų | 120 | 126.9 Ų | 126.9 | 73% | 0.727 | 71% | 0.714 | S | S | * | * | | | trans | -80.8 | 66.4 | 159.4 | -83.7 | 0 | 0 | 0 | 0 | 107.9 | P97 | P97-V99 WeakPolarHBondContact O-CG2 3.47Å; P97-V99 PolarHBondContact O-N 3.39Å |
| 100 | D | 47.6 | Very low | 60.6 | Low | 152 Ų | 152 | 124.1 Ų | 124.1 | 81% | 0.813 | 71% | 0.709 | S | S | * | * | | | trans | -134 | 95.1 | 162.5 | -80.5 | -45.6 | 0 | 0 | 0 | 109.6 | C98 | C98-D100 PolarHBondContact O-N 3.33Š|
| 101 | V | 46.7 | Very low | 58.5 | Low | 130 Ų | 130 | 123.1 Ų | 123.1 | 79% | 0.788 | 72% | 0.717 | S | S | * | * | | | trans | -4.4 | 139 | 148.4 | 170.9 | 0 | 0 | 0 | 0 | 115.6 | L103 | V101-L103 PolarHBondContact O-N 2.86Š|
| 102 | P | 58.1 | Low | 56.4 | Low | 112 Ų | 112 | 129 Ų | 129 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -67.5 | 127.2 | -172 | 30 | -35.7 | 0 | 0 | 0 | 110.5 | | |
| 103 | L | 50.2 | Low | 54.3 | Low | 170 Ų | 170 | 132.3 Ų | 132.3 | 89% | 0.89 | 75% | 0.75 | S | S | * | * | | | trans | 168.3 | 87.7 | 154.1 | -92.4 | 152.9 | 0 | 0 | 0 | 108.6 | V101 | V101-L103 PolarHBondContact O-N 2.86Š|
| 104 | S | 35.3 | Very low | 52.2 | Low | 126 Ų | 126 | 125.6 Ų | 125.6 | 88% | 0.881 | 74% | 0.742 | S | S | * | * | | | trans | -166.5 | 123.9 | 137.5 | -89.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 105 | A | 54.7 | Low | 50.5 | Low | 83 Ų | 83 | 131.3 Ų | 131.3 | 69% | 0.686 | 76% | 0.76 | S | S | * | * | | | trans | -57.5 | 156 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 106 | D | 46.6 | Very low | 49.3 | Very low | 167 Ų | 167 | 130.7 Ų | 130.7 | 89% | 0.893 | 77% | 0.767 | S | S | * | * | | | trans | 77.6 | 69.7 | 159 | -48.7 | -23.8 | 0 | 0 | 0 | 116.4 | | |
| 107 | G | 43.7 | Very low | 48.5 | Very low | 67 Ų | 67 | 131.7 Ų | 131.7 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -165.6 | 84.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | I109 | G107-I109 PolarHBondContact O-N 2.7Å; G107-I109 VanDerWaalsContact O-N 3.15Å |
| 108 | S | 45.5 | Very low | 48 | Very low | 125 Ų | 125 | 134.2 Ų | 134.2 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | | | trans | 2.3 | 92.3 | 171.5 | -164.3 | 0 | 0 | 0 | 0 | 115.8 | G110 | S108-G110 VanDerWaalsContact C-N 3.3Å; S108-G110 PolarHBondContact O-N 3.46Å |
| 109 | I | 43.1 | Very low | 47.8 | Very low | 162 Ų | 162 | 129.9 Ų | 129.9 | 83% | 0.831 | 74% | 0.744 | S | S | * | * | | | trans | -58.2 | 92.2 | 166 | -73.3 | 164.3 | 0 | 0 | 0 | 107.8 | G107 | G107-I109 PolarHBondContact O-N 2.7Å; G107-I109 VanDerWaalsContact O-N 3.15Å |
| 110 | G | 51.6 | Low | 47.8 | Very low | 39 Ų | 39 | 127.7 Ų | 127.7 | 40% | 0.402 | 74% | 0.738 | S | S | . | * | | | trans | -84.9 | 116.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | S108 Y112 | S108-G110 VanDerWaalsContact C-N 3.3Å; S108-G110 PolarHBondContact O-N 3.46Å; G110-Y112 PolarHBondContact O-N 2.89Å |
| 111 | D | 47.8 | Very low | 48.4 | Very low | 161 Ų | 161 | 126.3 Ų | 126.3 | 86% | 0.861 | 73% | 0.727 | S | S | * | * | S | Bend | trans | 68.2 | 22.6 | 145.5 | -47.2 | -30.4 | 0 | 0 | 0 | 119.6 | Q113 | D111-Q113 PolarHBondContact O-N 3.24Š|
| 112 | Y | 46.4 | Very low | 48.8 | Very low | 217 Ų | 217 | 125.9 Ų | 125.9 | 85% | 0.851 | 72% | 0.716 | S | S | * | * | | | trans | -89.2 | 54.7 | 152.5 | -66.3 | -83.9 | 0 | 0 | 0 | 110.5 | G110 G114 | G110-Y112 PolarHBondContact O-N 2.89Å; Y112-G114 PolarHBondContact O-N 2.83Å |
| 113 | Q | 45.7 | Very low | 48.9 | Very low | 169 Ų | 169 | 125.7 Ų | 125.7 | 79% | 0.79 | 71% | 0.706 | S | S | * | * | | | trans | -73.2 | 72.7 | 156.4 | -168.7 | 174.1 | 4.1 | 0 | 0 | 107.1 | D111 F115 | D111-Q113 PolarHBondContact O-N 3.24Å; Q113-F115 PolarHBondContact O-N 2.98Å |
| 114 | G | 42.3 | Very low | 49.3 | Very low | 60 Ų | 60 | 120.7 Ų | 120.7 | 62% | 0.619 | 69% | 0.688 | S | S | * | * | | | trans | -49.1 | 124.8 | 155.2 | 0 | 0 | 0 | 0 | 0 | 106.3 | Y112 S116 | Y112-G114 PolarHBondContact O-N 2.83Å; G114-S116 PolarHBondContact O-N 2.85Å |
| 115 | F | 46.2 | Very low | 50.3 | Low | 205 Ų | 205 | 123.8 Ų | 123.8 | 90% | 0.899 | 68% | 0.681 | S | S | * | * | | | trans | -41.6 | 109 | 177.9 | -67.8 | -86 | 0 | 0 | 0 | 108.6 | Q113 F117 | Q113-F115 PolarHBondContact O-N 2.98Å; F115-F117 PolarHBondContact O-N 3.46Å |
| 116 | S | 50.1 | Low | 50.4 | Low | 90 Ų | 90 | 126 Ų | 126 | 63% | 0.629 | 68% | 0.677 | S | S | * | * | | | trans | -65.1 | 103.4 | 167.2 | 64 | 0 | 0 | 0 | 0 | 104 | G114 Q118 | G114-S116 PolarHBondContact O-N 2.85Å; S116-Q118 PolarHBondContact O-N 2.94Å |
| 117 | F | 43.6 | Very low | 50.6 | Low | 188 Ų | 188 | 124.2 Ų | 124.2 | 83% | 0.825 | 67% | 0.665 | S | S | * | * | | | trans | -64.8 | 85 | 166.5 | -166.7 | -95.1 | 0 | 0 | 0 | 104.8 | F115 S119 | F115-F117 PolarHBondContact O-N 3.46Å; F117-S119 PolarHBondContact O-N 3.41Å |
| 118 | Q | 51.9 | Low | 51.1 | Low | 149 Ų | 149 | 125.4 Ų | 125.4 | 70% | 0.696 | 66% | 0.662 | S | S | * | * | | | trans | -64.6 | 89.4 | 164.4 | -95.3 | -162.7 | 8 | 0 | 0 | 105.4 | S116 A120 | S116-Q118 PolarHBondContact O-N 2.94Å; Q118-A120 PolarHBondContact O-N 2.76Å |
| 119 | S | 50.3 | Low | 51.5 | Low | 35 Ų | 35 | 126.6 Ų | 126.6 | 25% | 0.245 | 65% | 0.654 | C | S | . | * | | | trans | -54.4 | 126.6 | 168.5 | -170.5 | 0 | 0 | 0 | 0 | 107.8 | F117 E121 H122 | F117-S119 PolarHBondContact O-N 3.41Å; S119-E121 WeakPolarHBondContact CB-OE1 2.97Å; S119-E121 PolarHBondContact O-N 3.03Å; S119-E121 VanDerWaalsContact OG-CD 3.27Å; S119-E121 WeakPolarHBondContact OG-CG 3.12Å; S119-E121 PolarHBondContact OG-OE1 2.93Å; S119-H122 PolarHBondContact O-N 3.32Å; S119-H122 VanDerWaalsContact O-N 3.1Å |
| 120 | A | 56.8 | Low | 51.8 | Low | 74 Ų | 74 | 129.4 Ų | 129.4 | 61% | 0.612 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.3 | -15 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q118 H122 Q123 A124 | Q118-A120 PolarHBondContact O-N 2.76Å; A120-H122 VanDerWaalsContact C-N 3.31Å; A120-H122 PolarHBondContact O-N 3.38Å; A120-Q123 PolarHBondContact O-N 2.86Å; A120-A124 PolarHBondContact O-N 3.19Å |
| 121 | E | 59.7 | Low | 51.6 | Low | 124 Ų | 124 | 132.7 Ų | 132.7 | 58% | 0.579 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -60.8 | -31.2 | 174.8 | 63.8 | -162.1 | 141.1 | 0 | 0 | 114.2 | S119 | S119-E121 WeakPolarHBondContact CB-OE1 2.97Å; S119-E121 PolarHBondContact O-N 3.03Å; S119-E121 VanDerWaalsContact OG-CD 3.27Å; S119-E121 WeakPolarHBondContact OG-CG 3.12Å; S119-E121 PolarHBondContact OG-OE1 2.93Å |
| 122 | H | 55.4 | Low | 51.9 | Low | 120 Ų | 120 | 129.1 Ų | 129.1 | 56% | 0.556 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -81 | -30.3 | 179.6 | -72.1 | -67.6 | 0 | 0 | 0 | 113.4 | S119 A120 R125 Q126 | S119-H122 PolarHBondContact O-N 3.32Å; S119-H122 VanDerWaalsContact O-N 3.1Å; A120-H122 VanDerWaalsContact C-N 3.31Å; A120-H122 PolarHBondContact O-N 3.38Å; H122-R125 PolarHBondContact O-N 3.29Å; H122-Q126 WeakPolarHBondContact O-CG 3.32Å; H122-Q126 PolarHBondContact O-N 2.69Å |
| 123 | Q | 60.5 | Low | 51.6 | Low | 109 Ų | 109 | 122.3 Ų | 122.3 | 51% | 0.509 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -68.9 | -37.8 | 176.8 | -172.1 | 176.5 | 48.2 | 0 | 0 | 111.6 | A120 R125 Q126 M127 | A120-Q123 PolarHBondContact O-N 2.86Å; Q123-R125 VanDerWaalsContact C-N 3.33Å; Q123-R125 PolarHBondContact O-N 3.38Å; Q123-Q126 PolarHBondContact O-N 2.86Å; Q123-M127 HydrophobicContact CG-CE 4.28Å; Q123-M127 PolarHBondContact O-N 3.49Å |
| 124 | A | 57.4 | Low | 51.3 | Low | 64 Ų | 64 | 120.2 Ų | 120.2 | 53% | 0.529 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -64.5 | -36.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A120 S128 | A120-A124 PolarHBondContact O-N 3.19Å; A124-S128 PolarHBondContact O-N 3.24Å; A124-S128 VanDerWaalsContact O-N 3.14Å |
| 125 | R | 57.4 | Low | 51.3 | Low | 191 Ų | 191 | 124.8 Ų | 124.8 | 72% | 0.721 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -70.5 | -38 | 176.5 | -69.7 | -163 | 178.1 | -172.2 | 2 | 112.8 | H122 Q123 S128 E129 | H122-R125 PolarHBondContact O-N 3.29Å; Q123-R125 VanDerWaalsContact C-N 3.33Å; Q123-R125 PolarHBondContact O-N 3.38Å; R125-S128 WeakPolarHBondContact O-CB 3.27Å; R125-S128 PolarHBondContact O-N 3.22Å; R125-E129 PolarHBondContact O-N 3.31Å |
| 126 | Q | 57.2 | Low | 50.5 | Low | 130 Ų | 130 | 126.6 Ų | 126.6 | 61% | 0.607 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -69.1 | -36.2 | 176.8 | -70.2 | -178.8 | 7.5 | 0 | 0 | 112.8 | H122 Q123 S128 E129 R130 | H122-Q126 WeakPolarHBondContact O-CG 3.32Å; H122-Q126 PolarHBondContact O-N 2.69Å; Q123-Q126 PolarHBondContact O-N 2.86Å; Q126-S128 VanDerWaalsContact C-N 3.32Å; Q126-E129 PolarHBondContact O-N 3.18Å; Q126-R130 PolarHBondContact O-N 2.86Å |
| 127 | M | 50.9 | Low | 49.9 | Very low | 130 Ų | 130 | 127.3 Ų | 127.3 | 64% | 0.64 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -66.4 | -34.9 | 172.1 | -72.2 | -172.2 | 179.2 | 0 | 0 | 112.1 | Q123 S131 | Q123-M127 HydrophobicContact CG-CE 4.28Å; Q123-M127 PolarHBondContact O-N 3.49Å; M127-S131 PolarHBondContact O-N 2.83Å |
| 128 | S | 53.5 | Low | 49.6 | Very low | 91 Ų | 91 | 127.9 Ų | 127.9 | 64% | 0.636 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -68.3 | -33.8 | 175.7 | -166.8 | 0 | 0 | 0 | 0 | 112.9 | A124 R125 Q126 | A124-S128 PolarHBondContact O-N 3.24Å; A124-S128 VanDerWaalsContact O-N 3.14Å; R125-S128 WeakPolarHBondContact O-CB 3.27Å; R125-S128 PolarHBondContact O-N 3.22Å; Q126-S128 VanDerWaalsContact C-N 3.32Å |
| 129 | E | 52.9 | Low | 49 | Very low | 150 Ų | 150 | 129.7 Ų | 129.7 | 70% | 0.701 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -79.1 | -33.1 | 176.6 | -77.3 | -178.3 | 160.1 | 0 | 0 | 112.8 | R125 Q126 S131 A132 | R125-E129 PolarHBondContact O-N 3.31Å; Q126-E129 PolarHBondContact O-N 3.18Å; E129-S131 PolarHBondContact O-N 2.85Å; E129-A132 PolarHBondContact O-N 2.74Å |
| 130 | R | 49.9 | Very low | 48.3 | Very low | 222 Ų | 222 | 132.9 Ų | 132.9 | 84% | 0.838 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -69.8 | -19.3 | 176.2 | -119.5 | 178.8 | -177.1 | -159.3 | 0.3 | 113.9 | Q126 A132 | Q126-R130 PolarHBondContact O-N 2.86Å; R130-A132 PolarHBondContact O-N 3.15Å |
| 131 | S | 48.1 | Very low | 47.3 | Very low | 108 Ų | 108 | 133 Ų | 133 | 76% | 0.755 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -7.6 | 175 | -169.5 | 0 | 0 | 0 | 0 | 113.6 | M127 E129 | M127-S131 PolarHBondContact O-N 2.83Å; E129-S131 PolarHBondContact O-N 2.85Å |
| 132 | A | 52.8 | Low | 46.2 | Very low | 86 Ų | 86 | 136.2 Ų | 136.2 | 71% | 0.711 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.4 | 4.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | E129 R130 | E129-A132 PolarHBondContact O-N 2.74Å; R130-A132 PolarHBondContact O-N 3.15Å |
| 133 | A | 41.8 | Very low | 45.3 | Very low | 73 Ų | 73 | 138.9 Ų | 138.9 | 60% | 0.603 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -105.3 | 128.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 134 | P | 37.6 | Very low | 44.3 | Very low | 125 Ų | 125 | 138.7 Ų | 138.7 | 81% | 0.812 | 75% | 0.749 | S | S | * | * | | | trans | -75.9 | 131.1 | 176.3 | 30.7 | -31.2 | 0 | 0 | 0 | 111.4 | | |
| 135 | I | 43.2 | Very low | 43.3 | Very low | 156 Ų | 156 | 142.6 Ų | 142.6 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | | | trans | -2.7 | 124.2 | 158.7 | -54.6 | 167.6 | 0 | 0 | 0 | 116.4 | | |
| 136 | R | 29.1 | Very low | 42.4 | Very low | 243 Ų | 243 | 139.6 Ų | 139.6 | 92% | 0.917 | 77% | 0.769 | S | S | * | * | | | trans | -141.2 | 114.9 | 144.2 | -174 | 175.4 | -89.8 | 160.1 | -7.2 | 109.8 | | |
| 137 | C | 37.5 | Very low | 41.6 | Very low | 106 Ų | 106 | 139.9 Ų | 139.9 | 72% | 0.716 | 78% | 0.78 | S | S | * | * | | | trans | -59.5 | 139.1 | 167.7 | -58.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 138 | E | 37.6 | Very low | 40.9 | Very low | 199 Ų | 199 | 137.1 Ų | 137.1 | 93% | 0.93 | 79% | 0.785 | S | S | * | * | | | trans | -151.1 | 138.8 | 133.9 | -83.9 | -144.2 | 128.4 | 0 | 0 | 110.5 | | |
| 139 | E | 40.2 | Very low | 40.3 | Very low | 187 Ų | 187 | 141.4 Ų | 141.4 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | | | trans | -96.6 | 133.6 | -174.8 | 171.9 | 173.6 | 153.3 | 0 | 0 | 108.5 | | |
| 140 | A | 33.9 | Very low | 40.3 | Very low | 103 Ų | 103 | 143.3 Ų | 143.3 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | | | trans | -155.3 | 107.1 | 157.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 141 | A | 37 | Very low | 40.6 | Very low | 77 Ų | 77 | 139.3 Ų | 139.3 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | | | trans | -72.1 | 147.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 142 | Q | 36.8 | Very low | 40.9 | Very low | 191 Ų | 191 | 138.2 Ų | 138.2 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | | | trans | -176.8 | 86.8 | 141.6 | -103.7 | 149.3 | -45.3 | 0 | 0 | 107.6 | | |
| 143 | Q | 35 | Very low | 41 | Very low | 175 Ų | 175 | 138.9 Ų | 138.9 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | | 70.7 | 90.7 | 86.4 | -162 | 150.1 | 5.3 | 0 | 0 | 112.4 | | |
| 144 | S | 40.2 | Very low | 41.6 | Very low | 106 Ų | 106 | 137.7 Ų | 137.7 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | | | trans | -54.9 | 135.2 | 157.1 | -55.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 145 | D | 37 | Very low | 42.6 | Very low | 146 Ų | 146 | 138.7 Ų | 138.7 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | | | trans | 178.1 | 118.2 | 135.6 | -90.6 | -23.3 | 0 | 0 | 0 | 109.7 | | |
| 146 | S | 39.1 | Very low | 43.4 | Very low | 128 Ų | 128 | 133.2 Ų | 133.2 | 90% | 0.895 | 76% | 0.758 | S | S | * | * | | | trans | -157.9 | 134.2 | 138.3 | 54.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 147 | T | 39.5 | Very low | 45.1 | Very low | 135 Ų | 135 | 127.3 Ų | 127.3 | 83% | 0.828 | 74% | 0.743 | S | S | * | * | | | trans | -99.1 | 153.6 | -163.9 | 41.4 | 0 | 0 | 0 | 0 | 111 | | |
| 148 | G | 36.8 | Very low | 46.4 | Very low | 73 Ų | 73 | 126.5 Ų | 126.5 | 75% | 0.753 | 73% | 0.734 | S | S | * | * | | | trans | 92.9 | 118.1 | 150.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 149 | F | 40.9 | Very low | 48 | Very low | 180 Ų | 180 | 119.2 Ų | 119.2 | 79% | 0.789 | 71% | 0.708 | S | S | * | * | | | | -177.8 | 94.7 | 88.5 | -138 | -99.7 | 0 | 0 | 0 | 108.8 | Q151 | F149-Q151 HydrophobicContact CD1-CB 4.13Å; F149-Q151 HydrophobicContact CE1-CB 4.23Å; F149-Q151 PolarHBondContact O-N 2.56Å |
| 150 | E | 53.1 | Low | 49.5 | Very low | 190 Ų | 190 | 116.6 Ų | 116.6 | 89% | 0.888 | 70% | 0.699 | S | S | * | * | | | trans | -65.9 | 108.9 | 159.5 | -137 | -155.8 | 131 | 0 | 0 | 107.1 | | |
| 151 | Q | 54.8 | Low | 51.4 | Low | 139 Ų | 139 | 117.2 Ų | 117.2 | 65% | 0.65 | 69% | 0.688 | S | S | * | * | | | trans | 174 | 93.8 | 158.2 | -103.9 | 174.6 | 76.6 | 0 | 0 | 110.8 | F149 | F149-Q151 HydrophobicContact CD1-CB 4.13Å; F149-Q151 HydrophobicContact CE1-CB 4.23Å; F149-Q151 PolarHBondContact O-N 2.56Å |
| 152 | S | 54.5 | Low | 53.1 | Low | 85 Ų | 85 | 117.3 Ų | 117.3 | 59% | 0.594 | 68% | 0.68 | S | S | * | * | | | trans | -168.8 | 27.3 | 146.2 | -140 | 0 | 0 | 0 | 0 | 116.2 | G154 | S152-G154 VanDerWaalsContact C-N 3.32Å; S152-G154 PolarHBondContact O-N 2.81Å |
| 153 | A | 54.7 | Low | 54.8 | Low | 100 Ų | 100 | 116.8 Ų | 116.8 | 83% | 0.826 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -76.1 | -18.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 154 | G | 56 | Low | 56.5 | Low | 48 Ų | 48 | 115.7 Ų | 115.7 | 50% | 0.495 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -91 | -26.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | S152 | S152-G154 VanDerWaalsContact C-N 3.32Å; S152-G154 PolarHBondContact O-N 2.81Å |
| 155 | K | 58.8 | Low | 57.8 | Low | 146 Ų | 146 | 120.5 Ų | 120.5 | 64% | 0.635 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -79.5 | -37.1 | -173.8 | -69.8 | 164.9 | 179.8 | 171.4 | 0 | 112.2 | A159 | K155-A159 PolarHBondContact O-N 3.1Å |
| 156 | G | 58.4 | Low | 58.9 | Low | 40 Ų | 40 | 119.3 Ų | 119.3 | 41% | 0.412 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -67.4 | -34.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | A159 L160 | G156-A159 PolarHBondContact O-N 3.27Å; G156-L160 WeakPolarHBondContact O-CB 3.41Å; G156-L160 PolarHBondContact O-N 3.41Å |
| 157 | M | 64.6 | Low | 59.9 | Low | 120 Ų | 120 | 116.1 Ų | 116.1 | 59% | 0.591 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -68.6 | -39.9 | -179.1 | -171.2 | 175.8 | 67.2 | 0 | 0 | 112.2 | L160 L161 | M157-L160 PolarHBondContact O-N 3.43Å; M157-L161 HydrophobicContact CG-CD1 4.26Å; M157-L161 WeakPolarHBondContact O-CB 3.31Å; M157-L161 PolarHBondContact O-N 3.44Å |
| 158 | V | 66.1 | Low | 60.8 | Low | 88 Ų | 88 | 115.7 Ų | 115.7 | 53% | 0.533 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -66.4 | -42.3 | 175.5 | 178.4 | 0 | 0 | 0 | 0 | 110.8 | L161 V162 | V158-L161 PolarHBondContact O-N 3.39Å; V158-V162 HydrophobicContact CG1-CG2 4.43Å; V158-V162 VanDerWaalsContact O-CG2 3.32Å; V158-V162 WeakPolarHBondContact O-CG2 3.4Å; V158-V162 PolarHBondContact O-N 3.05Å |
| 159 | A | 70.9 | Confident | 61.9 | Low | 47 Ų | 47 | 119.1 Ų | 119.1 | 39% | 0.388 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -60 | -48.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | K155 G156 L161 V162 Y163 | K155-A159 PolarHBondContact O-N 3.1Å; G156-A159 PolarHBondContact O-N 3.27Å; A159-L161 VanDerWaalsContact C-N 3.34Å; A159-L161 PolarHBondContact O-N 3.36Å; A159-V162 PolarHBondContact O-N 2.87Å; A159-Y163 VanDerWaalsContact O-CD2 3.28Å; A159-Y163 WeakPolarHBondContact O-CD2 3.08Å; A159-Y163 PolarHBondContact O-N 3.46Å |
| 160 | L | 71.8 | Confident | 62.5 | Low | 131 Ų | 131 | 120.8 Ų | 120.8 | 69% | 0.686 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -58.7 | -42 | 176.4 | -94.8 | 161.5 | 0 | 0 | 0 | 112.7 | G156 M157 Y163 H164 | G156-L160 WeakPolarHBondContact O-CB 3.41Å; G156-L160 PolarHBondContact O-N 3.41Å; M157-L160 PolarHBondContact O-N 3.43Å; L160-Y163 PolarHBondContact O-N 3.25Å; L160-H164 WeakPolarHBondContact O-CB 3.47Å; L160-H164 PolarHBondContact O-N 3.41Å |
| 161 | L | 72.9 | Confident | 63 | Low | 117 Ų | 117 | 117.3 Ų | 117.3 | 61% | 0.613 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -64.6 | -41 | 177 | -107.4 | 138.4 | 0 | 0 | 0 | 112.5 | M157 V158 A159 R165 | M157-L161 HydrophobicContact CG-CD1 4.26Å; M157-L161 WeakPolarHBondContact O-CB 3.31Å; M157-L161 PolarHBondContact O-N 3.44Å; V158-L161 PolarHBondContact O-N 3.39Å; A159-L161 VanDerWaalsContact C-N 3.34Å; A159-L161 PolarHBondContact O-N 3.36Å; L161-R165 WeakPolarHBondContact O-CB 3.48Å; L161-R165 PolarHBondContact O-N 3.37Å; L161-R165 VanDerWaalsContact O-N 3.08Å |
| 162 | V | 73.9 | Confident | 63.4 | Low | 78 Ų | 78 | 116.2 Ų | 116.2 | 47% | 0.473 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -66.8 | -44.1 | 177.1 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | V158 A159 H164 R165 L166 | V158-V162 HydrophobicContact CG1-CG2 4.43Å; V158-V162 VanDerWaalsContact O-CG2 3.32Å; V158-V162 WeakPolarHBondContact O-CG2 3.4Å; V158-V162 PolarHBondContact O-N 3.05Å; A159-V162 PolarHBondContact O-N 2.87Å; V162-H164 PolarHBondContact O-N 3.03Å; V162-R165 PolarHBondContact O-N 3.26Å; V162-L166 HydrophobicContact CG1-CD1 3.83Å; V162-L166 WeakPolarHBondContact O-CD1 3.5Å; V162-L166 PolarHBondContact O-N 3.33Å |
| 163 | Y | 71.6 | Confident | 63.9 | Low | 181 Ų | 181 | 117.9 Ų | 117.9 | 71% | 0.71 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -63.5 | -40.8 | 177 | -89.9 | -79.1 | 0 | 0 | 0 | 112.6 | A159 L160 R165 L166 G167 | A159-Y163 VanDerWaalsContact O-CD2 3.28Å; A159-Y163 WeakPolarHBondContact O-CD2 3.08Å; A159-Y163 PolarHBondContact O-N 3.46Å; L160-Y163 PolarHBondContact O-N 3.25Å; Y163-R165 VanDerWaalsContact C-N 3.28Å; Y163-R165 PolarHBondContact O-N 3.06Å; Y163-L166 PolarHBondContact O-N 3.14Å; Y163-G167 PolarHBondContact O-N 3.45Å |
| 164 | H | 71.3 | Confident | 64.5 | Low | 151 Ų | 151 | 118.9 Ų | 118.9 | 70% | 0.699 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -70 | -26.6 | 178 | -157 | -67.1 | 0 | 0 | 0 | 112.6 | L160 V162 | L160-H164 WeakPolarHBondContact O-CB 3.47Å; L160-H164 PolarHBondContact O-N 3.41Å; V162-H164 PolarHBondContact O-N 3.03Å |
| 165 | R | 66.6 | Low | 65 | Low | 208 Ų | 208 | 123.4 Ų | 123.4 | 79% | 0.785 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -77.2 | -37.2 | 175 | -146.5 | -179 | -162.3 | -107.4 | 4.9 | 112.1 | L161 V162 Y163 | L161-R165 WeakPolarHBondContact O-CB 3.48Å; L161-R165 PolarHBondContact O-N 3.37Å; L161-R165 VanDerWaalsContact O-N 3.08Å; V162-R165 PolarHBondContact O-N 3.26Å; Y163-R165 VanDerWaalsContact C-N 3.28Å; Y163-R165 PolarHBondContact O-N 3.06Å |
| 166 | L | 61.3 | Low | 65.4 | Low | 121 Ų | 121 | 121.9 Ų | 121.9 | 63% | 0.634 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -74.4 | -31.5 | 175.2 | -95.8 | 101.7 | 0 | 0 | 0 | 113.5 | V162 Y163 N168 | V162-L166 HydrophobicContact CG1-CD1 3.83Å; V162-L166 WeakPolarHBondContact O-CD1 3.5Å; V162-L166 PolarHBondContact O-N 3.33Å; Y163-L166 PolarHBondContact O-N 3.14Å; L166-N168 PolarHBondContact O-N 3.23Å |
| 167 | G | 58.6 | Low | 65.9 | Low | 60 Ų | 60 | 127.7 Ų | 127.7 | 62% | 0.619 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -5.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y163 | Y163-G167 PolarHBondContact O-N 3.45Š|
| 168 | N | 58.5 | Low | 66 | Low | 127 Ų | 127 | 128.3 Ų | 128.3 | 68% | 0.679 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.7 | 6 | -176.5 | -162.8 | 82.4 | 0 | 0 | 0 | 113.4 | L166 | L166-N168 PolarHBondContact O-N 3.23Š|
| 169 | D | 60.9 | Low | 66 | Low | 145 Ų | 145 | 131.7 Ų | 131.7 | 78% | 0.775 | 68% | 0.684 | S | S | * | * | | | trans | -109.6 | 19.1 | 178.5 | -93.1 | -53.3 | 0 | 0 | 0 | 113.2 | | |
| 170 | N | 53.4 | Low | 65.5 | Low | 214 Ų | 214 | 139.4 Ų | 139.4 | 100% | 1.144 | 71% | 0.711 | S | S | * | * | | | trans | -121.1 | 0 | 164.8 | -70 | -73.1 | 0 | 0 | 0 | 110.2 | | |