| 1 | M | 30.3 | Very low | 34.2 | Very low | 226 Ų | 226 | 144.2 Ų | 144.2 | 100% | 1.113 | 78% | 0.778 | S | S | * | * | | | | 0 | 138.3 | 0 | -66.1 | 171 | 71.8 | 0 | 0 | 107.1 | | |
| 2 | N | 30.5 | Very low | 34 | Very low | 149 Ų | 149 | 145.8 Ų | 145.8 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | | | trans | 63.5 | 149 | 173 | -55 | 8.1 | 0 | 0 | 0 | 115.3 | | |
| 3 | S | 35.2 | Very low | 33.7 | Very low | 111 Ų | 111 | 149.2 Ų | 149.2 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | | | cis | -161 | 153.3 | -22.7 | 41.9 | 0 | 0 | 0 | 0 | 108.6 | | |
| 4 | E | 46.1 | Very low | 33.3 | Very low | 176 Ų | 176 | 145.6 Ų | 145.6 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | | | trans | -75 | 144 | 170.2 | -54.2 | -179.9 | 136.5 | 0 | 0 | 111 | | |
| 5 | D | 39 | Very low | 33 | Very low | 131 Ų | 131 | 143.9 Ų | 143.9 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | | | trans | 167.8 | 162.8 | 144.9 | -94.7 | -22.2 | 0 | 0 | 0 | 109 | | |
| 6 | K | 35.5 | Very low | 32.5 | Very low | 153 Ų | 153 | 139.9 Ų | 139.9 | 67% | 0.665 | 79% | 0.786 | S | S | * | * | | | cis | 179.4 | 142.6 | -42.4 | -121.8 | -165.2 | -151.7 | 99.4 | 0 | 107.3 | | |
| 7 | L | 34.5 | Very low | 32.2 | Very low | 147 Ų | 147 | 136.6 Ų | 136.6 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | | | trans | 63.5 | 160.9 | 160.5 | -52.5 | 171.4 | 0 | 0 | 0 | 115.2 | | |
| 8 | D | 30.5 | Very low | 31.9 | Very low | 130 Ų | 130 | 132.6 Ų | 132.6 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | | | cis | -140 | 161.5 | -13 | -138.5 | -44.8 | 0 | 0 | 0 | 110.4 | | |
| 9 | G | 31.6 | Very low | 31.9 | Very low | 73 Ų | 73 | 134.3 Ų | 134.3 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | | | trans | -163.6 | 39.3 | -165.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | L11 | G9-L11 PolarHBondContact O-N 3.4Š|
| 10 | M | 32 | Very low | 31.8 | Very low | 151 Ų | 151 | 135.1 Ų | 135.1 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | | | trans | -48.7 | 125.1 | -178.9 | -61.2 | 167.3 | 47 | 0 | 0 | 115.4 | | |
| 11 | L | 30.8 | Very low | 31.8 | Very low | 139 Ų | 139 | 132.2 Ų | 132.2 | 73% | 0.728 | 79% | 0.787 | S | S | * | * | | | | 164.9 | 143.5 | 106.5 | -96.2 | 150.9 | 0 | 0 | 0 | 115.9 | G9 | G9-L11 PolarHBondContact O-N 3.4Š|
| 12 | L | 32.2 | Very low | 31.6 | Very low | 164 Ų | 164 | 125.7 Ų | 125.7 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | | | trans | 67.3 | 162.1 | 154 | -78.5 | 161.8 | 0 | 0 | 0 | 120.2 | | |
| 13 | K | 30 | Very low | 31.5 | Very low | 189 Ų | 189 | 121.7 Ų | 121.7 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | | | trans | -163.1 | 163.3 | -153.9 | 174 | 175.9 | 171.1 | 176.1 | 0 | 110 | | |
| 14 | C | 28.8 | Very low | 31.2 | Very low | 99 Ų | 99 | 128.2 Ų | 128.2 | 67% | 0.669 | 78% | 0.779 | S | S | * | * | | | trans | 84 | 102.9 | 172.3 | -70 | 0 | 0 | 0 | 0 | 117.9 | | |
| 15 | S | 27.8 | Very low | 30.3 | Very low | 121 Ų | 121 | 125.7 Ų | 125.7 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | | | | 55.3 | 124.1 | 109 | -48.5 | 0 | 0 | 0 | 0 | 121.8 | | |
| 16 | G | 26.1 | Very low | 29.9 | Very low | 80 Ų | 80 | 124.9 Ų | 124.9 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | | | | 113.3 | 139 | 126.8 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 17 | G | 26.8 | Very low | 29.6 | Very low | 84 Ų | 84 | 126.1 Ų | 126.1 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | | | trans | 82.7 | 137.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 18 | G | 27.4 | Very low | 29.2 | Very low | 64 Ų | 64 | 122.3 Ų | 122.3 | 66% | 0.66 | 79% | 0.788 | S | S | * | * | | | cis | 101.7 | 147.2 | 7.4 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 19 | I | 31 | Very low | 29.3 | Very low | 165 Ų | 165 | 121.3 Ų | 121.3 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | | | trans | 62 | 152.8 | -174.6 | 79.9 | 155.8 | 0 | 0 | 0 | 114.4 | | |
| 20 | D | 30.8 | Very low | 29 | Very low | 150 Ų | 150 | 121.4 Ų | 121.4 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | | | cis | -154.3 | 161.8 | -11.6 | -132.5 | -35.2 | 0 | 0 | 0 | 111.9 | | |
| 21 | G | 30.4 | Very low | 28.9 | Very low | 75 Ų | 75 | 118.1 Ų | 118.1 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | | | trans | 66.9 | 171.7 | 162.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 22 | G | 27 | Very low | 28.6 | Very low | 88 Ų | 88 | 115 Ų | 115 | 91% | 0.907 | 80% | 0.804 | S | S | * | * | | | cis | 144.2 | 83.4 | -5.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 23 | G | 27.6 | Very low | 28.5 | Very low | 65 Ų | 65 | 114.7 Ų | 114.7 | 67% | 0.67 | 80% | 0.803 | S | S | * | * | | | trans | 134.8 | 141 | -174.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 24 | R | 29.4 | Very low | 28.3 | Very low | 248 Ų | 248 | 112.1 Ų | 112.1 | 94% | 0.936 | 80% | 0.803 | S | S | * | * | | | cis | 58.2 | 128.3 | 41.3 | -47.7 | -169.8 | -168.4 | -149.6 | 6.2 | 110.5 | | |
| 25 | V | 28 | Very low | 28.3 | Very low | 124 Ų | 124 | 111.5 Ų | 111.5 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | | | cis | -152.4 | 129.6 | 30.7 | 173.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 26 | C | 28.8 | Very low | 28.4 | Very low | 113 Ų | 113 | 114.3 Ų | 114.3 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | | | trans | 45.6 | -177.5 | 149.3 | -56.4 | 0 | 0 | 0 | 0 | 122.9 | | |
| 27 | L | 30.5 | Very low | 28.8 | Very low | 180 Ų | 180 | 115.9 Ų | 115.9 | 94% | 0.942 | 79% | 0.791 | S | S | * | * | | | trans | 74.9 | 133.2 | -179.5 | -47.3 | 178.2 | 0 | 0 | 0 | 114.6 | | |
| 28 | G | 26.5 | Very low | 29.1 | Very low | 66 Ų | 66 | 120.2 Ų | 120.2 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | | | cis | 176.6 | 167.1 | -6.4 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 29 | A | 31.9 | Very low | 29 | Very low | 110 Ų | 110 | 120.5 Ų | 120.5 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | | | trans | 61.7 | 161.6 | -178 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 30 | G | 26.3 | Very low | 29.2 | Very low | 74 Ų | 74 | 121.8 Ų | 121.8 | 76% | 0.763 | 80% | 0.799 | S | S | * | * | | | cis | 123.5 | 115.5 | -4.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 31 | G | 28.5 | Very low | 29.1 | Very low | 83 Ų | 83 | 126.6 Ų | 126.6 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | | | trans | 92.4 | 164.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 32 | G | 25.5 | Very low | 29 | Very low | 72 Ų | 72 | 128.5 Ų | 128.5 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | | | cis | 167.5 | 120.4 | -2.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 33 | L | 29.3 | Very low | 29.1 | Very low | 159 Ų | 159 | 132.7 Ų | 132.7 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | | | trans | -63.1 | 132.9 | -180 | -171.6 | 81.8 | 0 | 0 | 0 | 111.1 | V35 | L33-V35 HydrophobicContact CD2-CG2 3.77Å; L33-V35 HydrophobicContact CG-CG2 4.07Å |
| 34 | V | 26.6 | Very low | 29.2 | Very low | 135 Ų | 135 | 133.4 Ų | 133.4 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | trans | -127.6 | 132.9 | 154.6 | -179.3 | 0 | 0 | 0 | 0 | 108.3 | | |
| 35 | V | 29.2 | Very low | 29.1 | Very low | 86 Ų | 86 | 129.4 Ų | 129.4 | 52% | 0.521 | 81% | 0.805 | S | S | . | * | | | trans | -100.1 | 142.7 | -178 | 176.6 | 0 | 0 | 0 | 0 | 109.3 | L33 T37 | L33-V35 HydrophobicContact CD2-CG2 3.77Å; L33-V35 HydrophobicContact CG-CG2 4.07Å; V35-T37 HydrophobicContact CG1-CG2 3.8Å |
| 36 | M | 28 | Very low | 29.1 | Very low | 180 Ų | 180 | 132.4 Ų | 132.4 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | | | trans | -110.3 | 134.4 | 154.4 | -82.9 | -76.2 | 112 | 0 | 0 | 108.2 | | |
| 37 | T | 35 | Very low | 29.2 | Very low | 112 Ų | 112 | 132.8 Ų | 132.8 | 69% | 0.687 | 81% | 0.812 | S | S | * | * | | | trans | -102.8 | -161.5 | -169.7 | 53 | 0 | 0 | 0 | 0 | 111.6 | V35 | V35-T37 HydrophobicContact CG1-CG2 3.8Š|
| 38 | L | 32.4 | Very low | 29 | Very low | 176 Ų | 176 | 132.5 Ų | 132.5 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | | | trans | 88.4 | 136.3 | -169.4 | -53.7 | 168.5 | 0 | 0 | 0 | 113.3 | | |
| 39 | G | 26 | Very low | 29.1 | Very low | 70 Ų | 70 | 136.8 Ų | 136.8 | 72% | 0.722 | 82% | 0.817 | S | S | * | * | | | cis | -178.7 | 140.8 | -5.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 40 | E | 34.7 | Very low | 29 | Very low | 192 Ų | 192 | 134.7 Ų | 134.7 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | | | trans | -76.8 | 148.3 | -162.1 | -56.8 | -177.5 | 126.4 | 0 | 0 | 115 | | |
| 41 | R | 29.3 | Very low | 29.2 | Very low | 250 Ų | 250 | 138.6 Ų | 138.6 | 94% | 0.943 | 80% | 0.798 | S | S | * | * | | | trans | -157 | 119 | 142.3 | -108.1 | 162.2 | -159.9 | -165.3 | 4 | 110.6 | | |
| 42 | S | 27.5 | Very low | 29.4 | Very low | 116 Ų | 116 | 140.8 Ų | 140.8 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | | | trans | -85.8 | 147.2 | 169.3 | -71.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 43 | L | 29.9 | Very low | 30 | Very low | 175 Ų | 175 | 144 Ų | 144 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | | | | -166 | 165.3 | 118.2 | -105.5 | 170.5 | 0 | 0 | 0 | 112.1 | | |
| 44 | A | 29.3 | Very low | 30.4 | Very low | 81 Ų | 81 | 140.7 Ų | 140.7 | 67% | 0.669 | 77% | 0.773 | S | S | * | * | | | trans | -77.6 | 144 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 45 | N | 27.9 | Very low | 31.1 | Very low | 163 Ų | 163 | 138.2 Ų | 138.2 | 87% | 0.872 | 76% | 0.755 | S | S | * | * | | | trans | -163.8 | 110.5 | 130.3 | -97.1 | -30.9 | 0 | 0 | 0 | 109.5 | | |
| 46 | Q | 27.3 | Very low | 31.6 | Very low | 187 Ų | 187 | 139.8 Ų | 139.8 | 87% | 0.874 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 121.7 | 162.6 | -79.4 | -168.8 | -20.2 | 0 | 0 | 108 | | |
| 47 | P | 30.8 | Very low | 32.4 | Very low | 121 Ų | 121 | 135.8 Ų | 135.8 | 79% | 0.786 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 142.8 | 165.2 | 28.5 | -32.9 | 0 | 0 | 0 | 108.9 | L49 | P47-L49 PolarHBondContact O-N 3.46Š|
| 48 | L | 27.8 | Very low | 32.7 | Very low | 174 Ų | 174 | 136.7 Ų | 136.7 | 91% | 0.911 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 135.6 | 176 | -68.6 | 168.5 | 0 | 0 | 0 | 109.5 | A50 | L48-A50 PolarHBondContact O-N 3.43Š|
| 49 | L | 28.1 | Very low | 33.2 | Very low | 157 Ų | 157 | 133.4 Ų | 133.4 | 82% | 0.822 | 73% | 0.727 | S | S | * | * | | | trans | -65.5 | 106.3 | 167.4 | -67.3 | 170.9 | 0 | 0 | 0 | 107.9 | P47 E51 | P47-L49 PolarHBondContact O-N 3.46Å; L49-E51 PolarHBondContact O-N 3.3Å |
| 50 | A | 29.1 | Very low | 34.3 | Very low | 65 Ų | 65 | 138.4 Ų | 138.4 | 54% | 0.537 | 73% | 0.732 | S | S | . | * | | | trans | -57.5 | 130.8 | 149.4 | 0 | 0 | 0 | 0 | 0 | 107 | L48 D52 | L48-A50 PolarHBondContact O-N 3.43Å; A50-D52 WeakPolarHBondContact CB-OD1 3.31Å; A50-D52 PolarHBondContact O-N 3.09Å |
| 51 | E | 31.6 | Very low | 34.6 | Very low | 157 Ų | 157 | 136 Ų | 136 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | | | trans | -80.9 | 84.6 | 167.4 | -66.4 | -168.6 | 157.3 | 0 | 0 | 105.8 | L49 D53 | L49-E51 PolarHBondContact O-N 3.3Å; E51-D53 PolarHBondContact O-N 3.03Å |
| 52 | D | 32 | Very low | 35.3 | Very low | 128 Ų | 128 | 131.2 Ų | 131.2 | 68% | 0.684 | 72% | 0.718 | S | S | * | * | | | trans | -67.4 | 72 | 177.9 | -65.1 | -30.8 | 0 | 0 | 0 | 110.2 | A50 D54 | A50-D52 WeakPolarHBondContact CB-OD1 3.31Å; A50-D52 PolarHBondContact O-N 3.09Å; D52-D54 PolarHBondContact O-N 3.15Å |
| 53 | D | 37.8 | Very low | 35.8 | Very low | 141 Ų | 141 | 132.7 Ų | 132.7 | 75% | 0.754 | 72% | 0.722 | S | S | * | * | | | trans | -72.2 | 40.5 | 163.5 | -79 | -11.3 | 0 | 0 | 0 | 110.4 | E51 D55 | E51-D53 PolarHBondContact O-N 3.03Å; D53-D55 PolarHBondContact O-N 3.26Å |
| 54 | D | 38.8 | Very low | 35.9 | Very low | 88 Ų | 88 | 128.1 Ų | 128.1 | 47% | 0.471 | 72% | 0.717 | S | S | . | * | | | trans | -75.3 | 69.9 | 160.9 | -89.5 | -38.9 | 0 | 0 | 0 | 107.7 | D52 D56 R196 | D52-D54 PolarHBondContact O-N 3.15Å; D54-D56 PolarHBondContact O-N 3.3Å; D54-R196 IonicContact OD1-CZ 2.67Å; D54-R196 IonicContact OD1-NH2 2.72Å; D54-R196 PolarHBondContact OD1-NH2 2.38Å |
| 55 | D | 41.6 | Very low | 36 | Very low | 83 Ų | 83 | 130 Ų | 130 | 44% | 0.444 | 73% | 0.725 | S | S | . | * | | | trans | -63.2 | 85.6 | 160.3 | -79.4 | -37.2 | 0 | 0 | 0 | 107.5 | D53 D57 | D53-D55 PolarHBondContact O-N 3.26Å; D55-D57 PolarHBondContact O-N 2.86Å |
| 56 | D | 38 | Very low | 36.2 | Very low | 119 Ų | 119 | 128 Ų | 128 | 64% | 0.636 | 72% | 0.724 | S | S | * | * | | | trans | -66.9 | 76.9 | 166.9 | -83.2 | -23.2 | 0 | 0 | 0 | 108.8 | D54 D58 | D54-D56 PolarHBondContact O-N 3.3Å; D56-D58 VanDerWaalsContact C-N 3.27Å; D56-D58 PolarHBondContact O-N 3.43Å |
| 57 | D | 45.8 | Very low | 36.4 | Very low | 96 Ų | 96 | 126.8 Ų | 126.8 | 51% | 0.513 | 72% | 0.723 | S | S | . | * | | | trans | -66.8 | 78.1 | 175.6 | -81 | -37.1 | 0 | 0 | 0 | 110.5 | D55 D59 | D55-D57 PolarHBondContact O-N 2.86Å; D57-D59 PolarHBondContact O-N 2.8Å |
| 58 | D | 41.2 | Very low | 36.4 | Very low | 131 Ų | 131 | 126.5 Ų | 126.5 | 70% | 0.701 | 72% | 0.718 | S | S | * | * | | | trans | -63.5 | 47.9 | 163.1 | -93 | -11.1 | 0 | 0 | 0 | 110.6 | D56 E60 | D56-D58 VanDerWaalsContact C-N 3.27Å; D56-D58 PolarHBondContact O-N 3.43Å; D58-E60 PolarHBondContact O-N 3.48Å; D58-E60 VanDerWaalsContact O-N 3.12Å |
| 59 | D | 42.3 | Very low | 36.5 | Very low | 107 Ų | 107 | 124.3 Ų | 124.3 | 57% | 0.572 | 71% | 0.713 | S | S | * | * | | | trans | -88.1 | 49.2 | -176.8 | -132.6 | 12.6 | 0 | 0 | 0 | 111.2 | D57 D61 K247 | D57-D59 PolarHBondContact O-N 2.8Å; D59-D61 PolarHBondContact O-N 3.36Å; D59-K247 VanDerWaalsContact CG-NZ 3.34Å; D59-K247 IonicContact OD1-NZ 2.73Å; D59-K247 PolarHBondContact OD1-NZ 2.93Å; D59-K247 IonicContact OD2-NZ 3.33Å; D59-K247 PolarHBondContact OD2-NZ 2.83Å; D59-K247 VanDerWaalsContact OD2-NZ 3.13Å |
| 60 | E | 50.3 | Low | 36.6 | Very low | 175 Ų | 175 | 125.2 Ų | 125.2 | 82% | 0.818 | 71% | 0.712 | S | S | * | * | | | trans | -74.8 | 101.3 | 170.6 | -80.2 | -78.5 | -176.4 | 0 | 0 | 110.6 | D58 | D58-E60 PolarHBondContact O-N 3.48Å; D58-E60 VanDerWaalsContact O-N 3.12Å |
| 61 | D | 40.4 | Very low | 36.6 | Very low | 141 Ų | 141 | 129.2 Ų | 129.2 | 75% | 0.754 | 73% | 0.725 | S | S | * | * | | | trans | -164 | 125.5 | 152.3 | -113 | -18.5 | 0 | 0 | 0 | 113.9 | D59 | D59-D61 PolarHBondContact O-N 3.36Š|
| 62 | L | 42.9 | Very low | 36.6 | Very low | 151 Ų | 151 | 129.9 Ų | 129.9 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | | | trans | 53.4 | 83.7 | 144.7 | -54.3 | 175.9 | 0 | 0 | 0 | 120 | | |
| 63 | T | 38.1 | Very low | 36.6 | Very low | 147 Ų | 147 | 130 Ų | 130 | 90% | 0.902 | 74% | 0.737 | S | S | * | * | | | trans | -124.7 | 110.7 | 131 | 48.9 | 0 | 0 | 0 | 0 | 109.9 | S65 | T63-S65 PolarHBondContact O-N 2.86Š|
| 64 | G | 32.3 | Very low | 36.5 | Very low | 79 Ų | 79 | 128.7 Ų | 128.7 | 81% | 0.814 | 74% | 0.737 | S | S | * | * | | | trans | -82.4 | 104.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 65 | S | 32.8 | Very low | 36.7 | Very low | 120 Ų | 120 | 130.4 Ų | 130.4 | 84% | 0.839 | 75% | 0.752 | S | S | * | * | | | trans | -148.6 | 111.1 | 161.7 | -76.2 | 0 | 0 | 0 | 0 | 109.1 | T63 | T63-S65 PolarHBondContact O-N 2.86Š|
| 66 | S | 31.4 | Very low | 36.2 | Very low | 121 Ų | 121 | 136 Ų | 136 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | | | trans | -77.4 | 127.2 | 173.7 | 179.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 67 | L | 31.9 | Very low | 35.9 | Very low | 162 Ų | 162 | 138.7 Ų | 138.7 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | | | trans | -162.9 | 115.2 | 150.8 | -109.8 | 164.4 | 0 | 0 | 0 | 111.4 | | |
| 68 | V | 30.8 | Very low | 35.1 | Very low | 114 Ų | 114 | 141.3 Ų | 141.3 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | | | trans | 11.2 | 126.5 | 155.4 | -177.6 | 0 | 0 | 0 | 0 | 118.9 | | |
| 69 | T | 29.2 | Very low | 34.4 | Very low | 129 Ų | 129 | 141.6 Ų | 141.6 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | | | trans | -66.1 | 136.8 | 164.2 | 47.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 70 | H | 31.3 | Very low | 33.8 | Very low | 176 Ų | 176 | 143.7 Ų | 143.7 | 82% | 0.815 | 81% | 0.805 | S | S | * | * | | | trans | -137.4 | 121.4 | 156.7 | -105.6 | -82.6 | 0 | 0 | 0 | 109.8 | | |
| 71 | D | 27.8 | Very low | 32.7 | Very low | 149 Ų | 149 | 143.3 Ų | 143.3 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | | | trans | -74.4 | 136.2 | 169.7 | -64.3 | -70.2 | 0 | 0 | 0 | 110.6 | | |
| 72 | L | 31.6 | Very low | 32.2 | Very low | 170 Ų | 170 | 144.4 Ų | 144.4 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | | | trans | -140.8 | 136.2 | 159.4 | -78 | -178.5 | 0 | 0 | 0 | 110.6 | | |
| 73 | V | 32 | Very low | 31.8 | Very low | 132 Ų | 132 | 144 Ų | 144 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 151.5 | 179.9 | 177.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 74 | P | 35.2 | Very low | 31.5 | Very low | 113 Ų | 113 | 143.5 Ų | 143.5 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 157.7 | 177.1 | -21.5 | 34.7 | 0 | 0 | 0 | 113.7 | | |
| 75 | P | 43 | Very low | 31.4 | Very low | 124 Ų | 124 | 144.8 Ų | 144.8 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 152.4 | -173.4 | 35.3 | -36.1 | 0 | 0 | 0 | 114.2 | | |
| 76 | E | 32.4 | Very low | 31.6 | Very low | 199 Ų | 199 | 146.9 Ų | 146.9 | 93% | 0.93 | 78% | 0.775 | S | S | * | * | | | trans | -90.5 | -172.8 | 159.7 | -66.8 | -165.2 | 137.4 | 0 | 0 | 111.4 | | |
| 77 | Q | 30.9 | Very low | 31.7 | Very low | 176 Ų | 176 | 148.4 Ų | 148.4 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | | | trans | -135.3 | 162.2 | -152.8 | -164.5 | 172.7 | 46.8 | 0 | 0 | 112.6 | | |
| 78 | L | 28.2 | Very low | 31.5 | Very low | 152 Ų | 152 | 144.4 Ų | 144.4 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | | | trans | 80.5 | 158.2 | 175.9 | -50.3 | 175.2 | 0 | 0 | 0 | 115.9 | | |
| 79 | M | 28.4 | Very low | 31.4 | Very low | 137 Ų | 137 | 143.4 Ų | 143.4 | 68% | 0.675 | 78% | 0.775 | S | S | * | * | | | cis | 171.1 | 127.7 | -46.6 | -98.5 | -94 | -71.3 | 0 | 0 | 108.3 | | |
| 80 | M | 29.5 | Very low | 31.5 | Very low | 151 Ų | 151 | 147 Ų | 147 | 74% | 0.744 | 78% | 0.783 | S | S | * | * | | | trans | 65 | 156 | 170.2 | -63.1 | 163.4 | 174.7 | 0 | 0 | 114.6 | | |
| 81 | Q | 26.3 | Very low | 31.4 | Very low | 166 Ų | 166 | 142.4 Ų | 142.4 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | | | cis | -145.3 | 148.8 | 14.1 | -125.8 | 147.7 | 4.7 | 0 | 0 | 106.5 | | |
| 82 | E | 30.3 | Very low | 31.8 | Very low | 164 Ų | 164 | 143.3 Ų | 143.3 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | | | | 50.2 | 132.3 | 68.5 | -70.5 | 179.5 | 147.9 | 0 | 0 | 113.8 | | |
| 83 | E | 34.4 | Very low | 31.8 | Very low | 144 Ų | 144 | 143.4 Ų | 143.4 | 67% | 0.673 | 78% | 0.783 | S | S | * | * | | | cis | -164.2 | 167 | 6.5 | -134.4 | -159.3 | 145.7 | 0 | 0 | 111.8 | | |
| 84 | L | 32.6 | Very low | 31.9 | Very low | 136 Ų | 136 | 145.7 Ų | 145.7 | 71% | 0.712 | 78% | 0.784 | S | S | * | * | | | trans | 56.2 | 155.5 | 152.8 | -62.5 | 169.8 | 0 | 0 | 0 | 119.9 | | |
| 85 | T | 30.2 | Very low | 31.9 | Very low | 106 Ų | 106 | 148.2 Ų | 148.2 | 65% | 0.65 | 79% | 0.786 | S | S | * | * | | | cis | -146.1 | -172.8 | -4.6 | 29.3 | 0 | 0 | 0 | 0 | 107 | | |
| 86 | K | 36.7 | Very low | 31.4 | Very low | 164 Ų | 164 | 146 Ų | 146 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | | | cis | -170.1 | 147.2 | 26.8 | -143.7 | 144.8 | -168.5 | 162.8 | 0 | 111.4 | | |
| 87 | N | 32 | Very low | 31.2 | Very low | 153 Ų | 153 | 140.3 Ų | 140.3 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | 41.2 | 150.6 | 150.7 | -54.8 | 14.6 | 0 | 0 | 0 | 121.5 | | |
| 88 | G | 28 | Very low | 31.2 | Very low | 78 Ų | 78 | 136 Ų | 136 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | cis | 149.5 | 131.6 | -4.8 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 89 | A | 29.5 | Very low | 31.2 | Very low | 93 Ų | 93 | 137.7 Ų | 137.7 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | | | trans | -167.2 | 115 | 166.5 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 90 | E | 30.7 | Very low | 31.3 | Very low | 205 Ų | 205 | 137.8 Ų | 137.8 | 96% | 0.958 | 79% | 0.788 | S | S | * | * | | | | 78.8 | 128.4 | 76.3 | -76.1 | -163.4 | 159.9 | 0 | 0 | 115 | | |
| 91 | G | 30.5 | Very low | 31.2 | Very low | 78 Ų | 78 | 134.3 Ų | 134.3 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | trans | 147.1 | 89.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 92 | L | 34.7 | Very low | 31.2 | Very low | 168 Ų | 168 | 132.7 Ų | 132.7 | 88% | 0.88 | 79% | 0.792 | S | S | * | * | | | trans | -84.3 | 165.7 | 168.8 | -68.9 | 165.9 | 0 | 0 | 0 | 109.5 | | |
| 93 | E | 31.5 | Very low | 31.1 | Very low | 173 Ų | 173 | 131.8 Ų | 131.8 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | | | | -163.4 | 146.4 | 75.7 | -82.2 | 160.7 | -171.9 | 0 | 0 | 111.6 | | |
| 94 | E | 35.8 | Very low | 30.8 | Very low | 179 Ų | 179 | 133.1 Ų | 133.1 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | | | | 31.3 | 150.4 | 127.9 | -53.5 | -169.4 | 168.4 | 0 | 0 | 120.9 | | |
| 95 | E | 34.4 | Very low | 31.7 | Very low | 166 Ų | 166 | 131.3 Ų | 131.3 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | | | cis | -171.5 | -175.6 | -6.1 | -114.7 | -62.5 | 77.2 | 0 | 0 | 107.5 | | |
| 96 | A | 31.3 | Very low | 31.7 | Very low | 78 Ų | 78 | 134 Ų | 134 | 65% | 0.645 | 80% | 0.797 | S | S | * | * | | | cis | -155.3 | 146.8 | -0.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 97 | G | 30 | Very low | 31.5 | Very low | 80 Ų | 80 | 133.7 Ų | 133.7 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | | | trans | 73.5 | 170.9 | 144.4 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 98 | G | 29.9 | Very low | 31.4 | Very low | 85 Ų | 85 | 131.7 Ų | 131.7 | 88% | 0.876 | 79% | 0.785 | S | S | * | * | | | trans | 127.8 | 99.9 | 163.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 99 | E | 29.1 | Very low | 31.5 | Very low | 188 Ų | 188 | 133 Ų | 133 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | | | trans | -77.2 | 151.6 | -179.2 | -65.2 | -178.8 | 124.1 | 0 | 0 | 115.7 | | |
| 100 | V | 28.8 | Very low | 31.6 | Very low | 139 Ų | 139 | 135 Ų | 135 | 84% | 0.842 | 78% | 0.775 | S | S | * | * | | | trans | 45.1 | 122.4 | 139.4 | -179.1 | 0 | 0 | 0 | 0 | 120.2 | | |
| 101 | G | 27.8 | Very low | 31.7 | Very low | 77 Ų | 77 | 134.3 Ų | 134.3 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | | | trans | -170.3 | 104.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 102 | V | 27.9 | Very low | 31.8 | Very low | 132 Ų | 132 | 138.3 Ų | 138.3 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | | | trans | -93.9 | 118.7 | -167.3 | 172.8 | 0 | 0 | 0 | 0 | 114.5 | | |
| 103 | H | 27.1 | Very low | 32.4 | Very low | 145 Ų | 145 | 135.4 Ų | 135.4 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | | | trans | 56.8 | 139.1 | 148.5 | -96.3 | -82.9 | 0 | 0 | 0 | 124.8 | | |
| 104 | F | 28.4 | Very low | 32.2 | Very low | 172 Ų | 172 | 136.6 Ų | 136.6 | 75% | 0.754 | 77% | 0.765 | S | S | * | * | | | trans | 73.2 | 163.6 | 140 | -80.6 | -37.1 | 0 | 0 | 0 | 121.5 | | |
| 105 | P | 51.3 | Low | 31.9 | Very low | 99 Ų | 99 | 132.5 Ų | 132.5 | 64% | 0.643 | 76% | 0.756 | S | S | * | * | | | cis | -141.8 | 148.7 | -23.5 | 33.3 | -13.2 | 0 | 0 | 0 | 118.6 | | |
| 106 | L | 31.1 | Very low | 31.5 | Very low | 161 Ų | 161 | 132.2 Ų | 132.2 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | | | trans | 67.7 | 159.1 | 135.1 | -68.3 | 172 | 0 | 0 | 0 | 125.1 | | |
| 107 | K | 31.4 | Very low | 31.2 | Very low | 158 Ų | 158 | 136.4 Ų | 136.4 | 69% | 0.687 | 77% | 0.765 | S | S | * | * | | | trans | 81.5 | 143.6 | 175.5 | -67.1 | -164 | 172.5 | -161.3 | 0 | 115.8 | | |
| 108 | L | 29.4 | Very low | 31.4 | Very low | 111 Ų | 111 | 140.1 Ų | 140.1 | 58% | 0.581 | 76% | 0.763 | S | S | * | * | | | cis | -143.2 | -166.5 | 4.6 | -126.5 | 163.3 | 0 | 0 | 0 | 111.6 | | |
| 109 | T | 32 | Very low | 31.7 | Very low | 107 Ų | 107 | 141.4 Ų | 141.4 | 66% | 0.656 | 76% | 0.756 | S | S | * | * | | | trans | -114.2 | 146.2 | -165.4 | 53.4 | 0 | 0 | 0 | 0 | 115.1 | | |
| 110 | N | 30 | Very low | 32 | Very low | 134 Ų | 134 | 140.5 Ų | 140.5 | 72% | 0.717 | 76% | 0.756 | S | S | * | * | | | | 178.8 | 153.6 | 117.8 | -101 | -73.4 | 0 | 0 | 0 | 116.6 | | |
| 111 | K | 33.2 | Very low | 31.9 | Very low | 190 Ų | 190 | 139.4 Ų | 139.4 | 83% | 0.826 | 76% | 0.755 | S | S | * | * | | | trans | 1.8 | 137 | 165.6 | -62.8 | 170 | -173.5 | 174.2 | 0 | 124 | | |
| 112 | L | 33.6 | Very low | 32.1 | Very low | 163 Ų | 163 | 143.8 Ų | 143.8 | 85% | 0.853 | 76% | 0.758 | S | S | * | * | | | trans | -37.8 | 166.9 | 149.8 | -74.6 | 166.9 | 0 | 0 | 0 | 115.9 | | |
| 113 | P | 46.3 | Very low | 32.4 | Very low | 107 Ų | 107 | 146.2 Ų | 146.2 | 70% | 0.695 | 76% | 0.758 | S | S | * | * | | | cis | -145.9 | -170.2 | 28.6 | 28.2 | -0.8 | 0 | 0 | 0 | 118.7 | | |
| 114 | F | 26.9 | Very low | 32.5 | Very low | 198 Ų | 198 | 148.3 Ų | 148.3 | 87% | 0.868 | 77% | 0.768 | S | S | * | * | | | trans | 97 | 162.2 | 156.9 | -87.6 | -74.2 | 0 | 0 | 0 | 121.4 | | |
| 115 | S | 30.3 | Very low | 32.7 | Very low | 92 Ų | 92 | 147.2 Ų | 147.2 | 64% | 0.643 | 77% | 0.765 | S | S | * | * | | | trans | -131.5 | 146.6 | -150.3 | 57 | 0 | 0 | 0 | 0 | 113.3 | | |
| 116 | L | 26.3 | Very low | 31.7 | Very low | 161 Ų | 161 | 148.6 Ų | 148.6 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | | | trans | -149.1 | 167.7 | 160.6 | -69.4 | 177.8 | 0 | 0 | 0 | 109.7 | | |
| 117 | Q | 25.5 | Very low | 31.5 | Very low | 166 Ų | 166 | 149.9 Ų | 149.9 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | | | cis | -168.9 | 149.8 | -44.7 | 178.9 | 165.3 | -35.3 | 0 | 0 | 107.6 | | |
| 118 | M | 32.5 | Very low | 31.5 | Very low | 158 Ų | 158 | 150 Ų | 150 | 78% | 0.778 | 77% | 0.773 | S | S | * | * | | | trans | -67.7 | 140.6 | 172.5 | -75.9 | -65.5 | -66.1 | 0 | 0 | 112.7 | | |
| 119 | P | 36.5 | Very low | 31.3 | Very low | 112 Ų | 112 | 150.1 Ų | 150.1 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | | | trans | -77.9 | 152.3 | 170.8 | 32.7 | -34.5 | 0 | 0 | 0 | 112.3 | | |
| 120 | L | 34.9 | Very low | 31.4 | Very low | 168 Ų | 168 | 152.7 Ų | 152.7 | 88% | 0.88 | 79% | 0.793 | S | S | * | * | | | trans | -134.2 | 143.6 | 171.4 | -81.6 | 175.2 | 0 | 0 | 0 | 111.6 | | |
| 121 | S | 28.5 | Very low | 31.9 | Very low | 116 Ų | 116 | 152.6 Ų | 152.6 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | | | trans | -163.5 | 151 | 160.4 | -77.7 | 0 | 0 | 0 | 0 | 106.1 | | |
| 122 | I | 30.6 | Very low | 31.8 | Very low | 169 Ų | 169 | 147.7 Ų | 147.7 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | | | cis | -129.5 | 165.6 | 29.6 | -70.3 | 169.1 | 0 | 0 | 0 | 111.1 | | |
| 123 | K | 34 | Very low | 31.8 | Very low | 184 Ų | 184 | 146 Ų | 146 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | | | trans | -94.7 | 155.5 | -177.3 | -53.4 | 172.4 | 179.8 | 177.5 | 0 | 113.2 | | |
| 124 | Q | 28.9 | Very low | 31.3 | Very low | 188 Ų | 188 | 148.5 Ų | 148.5 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | | | trans | 157.9 | 151.9 | 132.6 | -90.3 | 172.9 | -26.8 | 0 | 0 | 111.1 | | |
| 125 | E | 33.5 | Very low | 31.6 | Very low | 149 Ų | 149 | 144.7 Ų | 144.7 | 70% | 0.696 | 78% | 0.78 | S | S | * | * | | | cis | -169.7 | 136.8 | -40.5 | -109.3 | -123.4 | 131.4 | 0 | 0 | 109 | | |
| 126 | L | 30.8 | Very low | 31.7 | Very low | 129 Ų | 129 | 149.8 Ų | 149.8 | 68% | 0.675 | 79% | 0.791 | S | S | * | * | | | trans | 63.7 | 154 | 163.6 | -58.5 | 168.5 | 0 | 0 | 0 | 116.8 | | |
| 127 | K | 26.5 | Very low | 32 | Very low | 187 Ų | 187 | 150.7 Ų | 150.7 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | | | cis | -150.6 | 169.1 | 17.8 | -137.2 | 154.3 | -171.9 | 172 | 0 | 111.2 | | |
| 128 | L | 31.4 | Very low | 32.5 | Very low | 160 Ų | 160 | 147.8 Ų | 147.8 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | | | trans | -88.9 | 153.7 | -172.3 | -48.4 | 88.7 | 0 | 0 | 0 | 114.5 | | |
| 129 | S | 25.3 | Very low | 32.7 | Very low | 114 Ų | 114 | 148.1 Ų | 148.1 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | | | | -174.1 | 117.9 | 126.9 | 58 | 0 | 0 | 0 | 0 | 113.7 | | |
| 130 | D | 33.1 | Very low | 32.6 | Very low | 162 Ų | 162 | 152 Ų | 152 | 87% | 0.866 | 78% | 0.78 | S | S | * | * | | | trans | -91.9 | 161.1 | 153.6 | -77.6 | -49.4 | 0 | 0 | 0 | 109.5 | | |
| 131 | P | 40.7 | Very low | 32.4 | Very low | 131 Ų | 131 | 147.4 Ų | 147.4 | 85% | 0.851 | 77% | 0.766 | S | S | * | * | | | | -143.2 | 158.4 | 105.4 | 37.8 | -24.5 | 0 | 0 | 0 | 115.4 | | |
| 132 | A | 30.8 | Very low | 32.9 | Very low | 88 Ų | 88 | 149.6 Ų | 149.6 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | | | trans | -101.3 | 164.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 133 | V | 33.8 | Very low | 33.1 | Very low | 128 Ų | 128 | 151.1 Ų | 151.1 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | | | trans | -179.7 | 110.5 | 156.7 | 133.2 | 0 | 0 | 0 | 0 | 108.3 | | |
| 134 | H | 35.6 | Very low | 32.9 | Very low | 158 Ų | 158 | 148.9 Ų | 148.9 | 73% | 0.731 | 77% | 0.765 | S | S | * | * | | | | 79.2 | 139.3 | 80.9 | -73.2 | 21.7 | 0 | 0 | 0 | 114.8 | | |
| 135 | I | 33.3 | Very low | 33 | Very low | 119 Ų | 119 | 147.4 Ų | 147.4 | 61% | 0.61 | 76% | 0.759 | S | S | * | * | | | cis | -160.9 | 143 | -6.1 | -96.9 | 157.4 | 0 | 0 | 0 | 108.4 | | |
| 136 | K | 33 | Very low | 33.3 | Very low | 198 Ų | 198 | 145.6 Ų | 145.6 | 86% | 0.861 | 76% | 0.759 | S | S | * | * | | | trans | 179.4 | 131.8 | 143.4 | -90.6 | 141.2 | -161.9 | 178.3 | 0 | 110 | | |
| 137 | K | 33.3 | Very low | 33.2 | Very low | 180 Ų | 180 | 144.1 Ų | 144.1 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | | | cis | 71.5 | 135.4 | 41.3 | -78.4 | -167.8 | 174.2 | -179.6 | 0 | 114.6 | | |
| 138 | D | 35.2 | Very low | 33.3 | Very low | 105 Ų | 105 | 145.2 Ų | 145.2 | 56% | 0.561 | 77% | 0.766 | S | S | * | * | | | cis | -166.5 | 161.4 | -13.4 | -151.1 | -13.4 | 0 | 0 | 0 | 110.2 | | |
| 139 | K | 37.7 | Very low | 33.7 | Very low | 165 Ų | 165 | 142.9 Ų | 142.9 | 72% | 0.717 | 76% | 0.76 | S | S | * | * | | | trans | 28.5 | 133.8 | 152.5 | -76.4 | 164.7 | -161 | 77 | 0 | 120.3 | | |
| 140 | K | 33.8 | Very low | 34.1 | Very low | 193 Ų | 193 | 147.2 Ų | 147.2 | 84% | 0.839 | 76% | 0.764 | S | S | * | * | | | cis | 159.3 | 153.5 | 42.5 | 150.7 | 178.5 | 177.4 | -177.1 | 0 | 111.7 | | |
| 141 | A | 30.5 | Very low | 34.2 | Very low | 72 Ų | 72 | 148.8 Ų | 148.8 | 60% | 0.595 | 76% | 0.764 | S | S | * | * | | | trans | 80.6 | 112.9 | 153.3 | 0 | 0 | 0 | 0 | 0 | 123.7 | | |
| 142 | I | 38.8 | Very low | 34 | Very low | 162 Ų | 162 | 152.2 Ų | 152.2 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | | | | 46.9 | 110.2 | 119.7 | -52.4 | 161.8 | 0 | 0 | 0 | 118.7 | | |
| 143 | K | 34.5 | Very low | 34.1 | Very low | 201 Ų | 201 | 157.7 Ų | 157.7 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | | | trans | -153.2 | 158.1 | 130.7 | -148.2 | 170.2 | -176.7 | 179.3 | 0 | 111 | | |
| 144 | D | 30 | Very low | 34.4 | Very low | 138 Ų | 138 | 162 Ų | 162 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | | | trans | -82.2 | 178.2 | -166.6 | -55.7 | -86.3 | 0 | 0 | 0 | 116.5 | | |
| 145 | M | 32.3 | Very low | 34.2 | Very low | 156 Ų | 156 | 163.4 Ų | 163.4 | 77% | 0.768 | 78% | 0.779 | S | S | * | * | | | trans | 97.4 | 102 | 151.1 | -58.6 | -135 | 68.2 | 0 | 0 | 119.9 | | |
| 146 | T | 38.2 | Very low | 34.2 | Very low | 111 Ų | 111 | 166.7 Ų | 166.7 | 68% | 0.681 | 79% | 0.792 | S | S | * | * | | | trans | 51.7 | 72.7 | 132.9 | 59.2 | 0 | 0 | 0 | 0 | 118.7 | | |
| 147 | A | 28.5 | Very low | 34.5 | Very low | 98 Ų | 98 | 168.7 Ų | 168.7 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | | | trans | -90.5 | 93.8 | 152.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 148 | Y | 30.6 | Very low | 34.3 | Very low | 211 Ų | 211 | 164.4 Ų | 164.4 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | | | trans | -59.9 | 126.7 | 162.7 | -100.1 | -97.2 | 0 | 0 | 0 | 108.5 | K150 | Y148-K150 PolarHBondContact O-N 3.04Š|
| 149 | P | 38.4 | Very low | 34.8 | Very low | 110 Ų | 110 | 165.2 Ų | 165.2 | 71% | 0.714 | 80% | 0.797 | S | S | * | * | | | trans | -62.5 | 116.4 | 168.2 | 25.8 | -31.9 | 0 | 0 | 0 | 107.9 | K151 | P149-K151 VanDerWaalsContact C-N 3.32Å; P149-K151 PolarHBondContact O-N 3.47Å |
| 150 | K | 33.3 | Very low | 35 | Very low | 205 Ų | 205 | 161.8 Ų | 161.8 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | | | trans | -62.1 | 92.7 | 178 | -72.7 | 179.3 | 179.5 | 174.2 | 0 | 108.8 | Y148 K152 | Y148-K150 PolarHBondContact O-N 3.04Å; K150-K152 PolarHBondContact O-N 3.05Å |
| 151 | K | 36.6 | Very low | 35.1 | Very low | 195 Ų | 195 | 162.2 Ų | 162.2 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | | | trans | -51.1 | 109.3 | 174.4 | -69.6 | -172.5 | 177.7 | -174.3 | 0 | 108.1 | P149 K153 | P149-K151 VanDerWaalsContact C-N 3.32Å; P149-K151 PolarHBondContact O-N 3.47Å; K151-K153 PolarHBondContact O-N 3.31Å |
| 152 | K | 35.9 | Very low | 35.7 | Very low | 203 Ų | 203 | 166 Ų | 166 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | | | trans | -52.6 | 119.3 | 171.7 | -73.6 | 179.8 | 177.3 | 175.4 | 0 | 106.3 | K150 R154 | K150-K152 PolarHBondContact O-N 3.05Å; K152-R154 VanDerWaalsContact C-N 3.27Å; K152-R154 PolarHBondContact O-N 3.32Å |
| 153 | K | 33 | Very low | 35.9 | Very low | 203 Ų | 203 | 165.1 Ų | 165.1 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | | | trans | -65.5 | 88.1 | 179.1 | -73.7 | -175.2 | 177.3 | -179.9 | 0 | 108.6 | K151 K155 | K151-K153 PolarHBondContact O-N 3.31Å; K153-K155 VanDerWaalsContact C-N 3.26Å; K153-K155 PolarHBondContact O-N 2.88Å |
| 154 | R | 38.9 | Very low | 36.1 | Very low | 218 Ų | 218 | 158.9 Ų | 158.9 | 82% | 0.823 | 80% | 0.8 | S | S | * | * | | | trans | -56.8 | 96.3 | 163.5 | -178.9 | 168.9 | 171.8 | 173.2 | -7.8 | 104.9 | K152 Q156 | K152-R154 VanDerWaalsContact C-N 3.27Å; K152-R154 PolarHBondContact O-N 3.32Å; R154-Q156 PolarHBondContact O-N 3.16Å; R154-Q156 VanDerWaalsContact O-N 3.08Å |
| 155 | K | 31.4 | Very low | 36.7 | Very low | 188 Ų | 188 | 160.6 Ų | 160.6 | 82% | 0.817 | 81% | 0.805 | S | S | * | * | | | trans | -51.8 | 120.3 | -174.3 | -73.3 | -178.6 | 177.7 | 178.5 | 0 | 107.2 | K153 R157 | K153-K155 VanDerWaalsContact C-N 3.26Å; K153-K155 PolarHBondContact O-N 2.88Å; K155-R157 PolarHBondContact O-N 2.9Å |
| 156 | Q | 34.6 | Very low | 37.7 | Very low | 188 Ų | 188 | 157.4 Ų | 157.4 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | | | trans | -60.8 | 113.8 | 166.4 | -74.7 | -162.6 | -20.4 | 0 | 0 | 106.7 | R154 S158 | R154-Q156 PolarHBondContact O-N 3.16Å; R154-Q156 VanDerWaalsContact O-N 3.08Å; Q156-S158 PolarHBondContact O-N 3.38Å |
| 157 | R | 38.1 | Very low | 38.4 | Very low | 240 Ų | 240 | 160.6 Ų | 160.6 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | | | trans | -71.2 | 106.1 | 163.7 | -76.2 | -172.8 | 173.1 | -169 | -1.3 | 105.4 | K155 | K155-R157 PolarHBondContact O-N 2.9Š|
| 158 | S | 30.7 | Very low | 39.7 | Very low | 91 Ų | 91 | 161.2 Ų | 161.2 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | | | trans | -55.5 | 146.3 | 171.9 | 38.2 | 0 | 0 | 0 | 0 | 110.2 | Q156 | Q156-S158 PolarHBondContact O-N 3.38Š|
| 159 | P | 44.5 | Very low | 40.8 | Very low | 121 Ų | 121 | 154 Ų | 154 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -62.3 | 143 | 174.1 | 28.2 | -34.6 | 0 | 0 | 0 | 109.9 | K161 | P159-K161 PolarHBondContact O-N 3.32Š|
| 160 | A | 41.7 | Very low | 41.3 | Very low | 94 Ų | 94 | 152 Ų | 152 | 78% | 0.777 | 77% | 0.773 | S | S | * | * | | | trans | 37.2 | 78 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | I162 | A160-I162 PolarHBondContact O-N 3.26Å; A160-I162 VanDerWaalsContact O-N 3.11Å |
| 161 | K | 36.6 | Very low | 42 | Very low | 202 Ų | 202 | 148.4 Ų | 148.4 | 88% | 0.878 | 77% | 0.768 | S | S | * | * | | | trans | -64.8 | 114.9 | 158.6 | -168.3 | 179.5 | -177.9 | -172 | 0 | 107.4 | P159 | P159-K161 PolarHBondContact O-N 3.32Š|
| 162 | I | 43.5 | Very low | 42.3 | Very low | 151 Ų | 151 | 142.5 Ų | 142.5 | 77% | 0.774 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 145.8 | 177.6 | -64.7 | 174.1 | 0 | 0 | 0 | 109.6 | A160 G164 | A160-I162 PolarHBondContact O-N 3.26Å; A160-I162 VanDerWaalsContact O-N 3.11Å; I162-G164 PolarHBondContact O-N 3.3Å |
| 163 | L | 43.2 | Very low | 43 | Very low | 143 Ų | 143 | 138.9 Ų | 138.9 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 121.9 | -177.5 | -63.4 | 167.6 | 0 | 0 | 0 | 111.3 | | |
| 164 | G | 37.2 | Very low | 43.8 | Very low | 70 Ų | 70 | 133.7 Ų | 133.7 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 128.5 | 155.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | I162 | I162-G164 PolarHBondContact O-N 3.3Š|
| 165 | M | 43.9 | Very low | 44.6 | Very low | 174 Ų | 174 | 129.9 Ų | 129.9 | 86% | 0.857 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 137.9 | 166.6 | -62.6 | 169.7 | 67.8 | 0 | 0 | 107.7 | | |
| 166 | N | 52.5 | Low | 46.2 | Very low | 89 Ų | 89 | 126 Ų | 126 | 48% | 0.476 | 73% | 0.727 | S | S | . | * | P | Polyproline II helix | trans | -88.8 | 150.5 | 164.3 | -57.8 | -21.9 | 0 | 0 | 0 | 108.5 | D168 G169 | N166-D168 WeakPolarHBondContact CB-OD1 3.42Å; N166-D168 PolarHBondContact O-N 3.43Å; N166-D168 VanDerWaalsContact O-N 3.12Å; N166-G169 PolarHBondContact O-N 3.02Å |
| 167 | D | 52.9 | Low | 47.6 | Very low | 179 Ų | 179 | 125.6 Ų | 125.6 | 96% | 0.957 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -12.4 | -173.2 | -56.8 | -66.3 | 0 | 0 | 0 | 114.1 | | |
| 168 | D | 55.2 | Low | 49.7 | Very low | 110 Ų | 110 | 118 Ų | 118 | 59% | 0.588 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -2.8 | 173.3 | 60.6 | -77.7 | 0 | 0 | 0 | 114.3 | N166 S170 | N166-D168 WeakPolarHBondContact CB-OD1 3.42Å; N166-D168 PolarHBondContact O-N 3.43Å; N166-D168 VanDerWaalsContact O-N 3.12Å; D168-S170 PolarHBondContact O-N 3.14Å; D168-S170 VanDerWaalsContact OD2-CB 3.26Å; D168-S170 WeakPolarHBondContact OD2-CB 3.3Å; D168-S170 PolarHBondContact OD2-N 3.02Å; D168-S170 PolarHBondContact OD2-OG 2.92Å |
| 169 | G | 55.3 | Low | 52.2 | Low | 61 Ų | 61 | 116.5 Ų | 116.5 | 63% | 0.629 | 69% | 0.688 | S | S | * | * | | | trans | 72.4 | 3.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | N166 | N166-G169 PolarHBondContact O-N 3.02Š|
| 170 | S | 48.2 | Very low | 54.3 | Low | 68 Ų | 68 | 114.1 Ų | 114.1 | 48% | 0.476 | 67% | 0.671 | S | S | . | * | | | trans | -76.6 | 131.3 | 177.7 | 70.5 | 0 | 0 | 0 | 0 | 112.4 | D168 A172 | D168-S170 PolarHBondContact O-N 3.14Å; D168-S170 VanDerWaalsContact OD2-CB 3.26Å; D168-S170 WeakPolarHBondContact OD2-CB 3.3Å; D168-S170 PolarHBondContact OD2-N 3.02Å; D168-S170 PolarHBondContact OD2-OG 2.92Å; S170-A172 PolarHBondContact O-N 2.82Å; S170-A172 VanDerWaalsContact O-N 3.14Å |
| 171 | V | 47.6 | Very low | 56.7 | Low | 128 Ų | 128 | 109.7 Ų | 109.7 | 78% | 0.776 | 63% | 0.634 | S | S | * | * | | | trans | -83.1 | 91.8 | 176.2 | -178.8 | 0 | 0 | 0 | 0 | 109.4 | V173 | V171-V173 PolarHBondContact O-N 2.8Š|
| 172 | A | 42.5 | Very low | 59.1 | Low | 72 Ų | 72 | 106.3 Ų | 106.3 | 60% | 0.595 | 63% | 0.631 | S | S | * | * | | | trans | -65.1 | 100.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | S170 P174 | S170-A172 PolarHBondContact O-N 2.82Å; S170-A172 VanDerWaalsContact O-N 3.14Å; A172-P174 WeakPolarHBondContact O-CD 3.28Å; A172-P174 WeakPolarHBondContact O-CG 3.4Å |
| 173 | V | 51.6 | Low | 61.2 | Low | 126 Ų | 126 | 104.6 Ų | 104.6 | 76% | 0.764 | 62% | 0.619 | S | S | * | * | | | trans | -59.6 | 114.9 | -176.3 | 179.3 | 0 | 0 | 0 | 0 | 111.5 | V171 N175 | V171-V173 PolarHBondContact O-N 2.8Å; V173-N175 PolarHBondContact O-N 3.47Å |
| 174 | P | 50.6 | Low | 63.5 | Low | 95 Ų | 95 | 100.7 Ų | 100.7 | 62% | 0.617 | 60% | 0.603 | S | S | * | * | | | trans | -83.2 | 111.6 | -173.2 | -13.8 | 30.9 | 0 | 0 | 0 | 114.1 | A172 | A172-P174 WeakPolarHBondContact O-CD 3.28Å; A172-P174 WeakPolarHBondContact O-CG 3.4Å |
| 175 | N | 55.3 | Low | 66 | Low | 138 Ų | 138 | 103.3 Ų | 103.3 | 74% | 0.738 | 60% | 0.6 | S | S | * | * | S | Bend | trans | 71 | 148.8 | 170.6 | -74.1 | -74.6 | 0 | 0 | 0 | 118.1 | V173 | V173-N175 PolarHBondContact O-N 3.47Š|
| 176 | P | 63.6 | Low | 68.1 | Low | 107 Ų | 107 | 96.7 Ų | 96.7 | 70% | 0.695 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -83.1 | 139.3 | -174 | 33 | -35.6 | 0 | 0 | 0 | 113.7 | C178 | P176-C178 PolarHBondContact O-N 2.89Š|
| 177 | K | 65.4 | Low | 69.9 | Low | 178 Ų | 178 | 95.6 Ų | 95.6 | 77% | 0.774 | 58% | 0.576 | S | S | * | * | | | trans | 45.3 | 59.6 | 156.5 | -62.4 | -177 | 178.8 | 178.4 | 0 | 115.9 | H179 | K177-H179 PolarHBondContact O-CD2 2.89Å; K177-H179 VanDerWaalsContact O-CD2 3.26Å; K177-H179 PolarHBondContact O-N 3.49Å |
| 178 | C | 81.8 | Confident | 71.7 | Confident | 81 Ų | 81 | 88.8 Ų | 88.8 | 55% | 0.547 | 54% | 0.538 | S | S | . | . | | | trans | -61.4 | 123.7 | 156.8 | -68.5 | 0 | 0 | 0 | 0 | 109.6 | P176 F188 | P176-C178 PolarHBondContact O-N 2.89Å; C178-F188 CarbonylContact C-O 3.53Å; C178-F188 WeakPolarHBondContact CA-O 3.24Å |
| 179 | H | 83.9 | Confident | 73.2 | Confident | 59 Ų | 59 | 94.8 Ų | 94.8 | 27% | 0.273 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.3 | 113.4 | 178.5 | -72.6 | -85.7 | 0 | 0 | 0 | 109.8 | K177 F188 T190 N191 L194 | K177-H179 PolarHBondContact O-CD2 2.89Å; K177-H179 VanDerWaalsContact O-CD2 3.26Å; K177-H179 PolarHBondContact O-N 3.49Å; H179-F188 PolarHBondContact N-O 2.81Å; H179-F188 PolarHBondContact O-N 3.23Å; H179-T190 VanDerWaalsContact CD2-C 3.44Å; H179-N191 PolarHBondContact CD2-N 3.37Å; H179-N191 VanDerWaalsContact CD2-N 3.28Å; H179-N191 PolarHBondContact ND1-ND2 2.95Å; H179-L194 HydrophobicContact CB-CB 4.04Å; H179-L194 HydrophobicContact CB-CD2 3.81Å |
| 180 | V | 88.3 | Confident | 74.8 | Confident | 72 Ų | 72 | 94.7 Ų | 94.7 | 44% | 0.436 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 137.1 | -173.8 | -177 | 0 | 0 | 0 | 0 | 111.4 | N185 A186 A187 | V180-N185 HydrophobicContact CG1-CB 4.33Å; V180-A186 CarbonylContact C-O 3.55Å; V180-A186 WeakPolarHBondContact CA-O 3.37Å; V180-A187 HydrophobicContact CG2-CB 4.19Å |
| 181 | C | 91.8 | Very high | 76.7 | Confident | 0 Ų | 0 | 94.8 Ų | 94.8 | 0% | 0 | 54% | 0.535 | C | S | . | . | | | trans | -78.4 | 122.7 | 175.5 | -179.1 | 0 | 0 | 0 | 0 | 111.9 | H183 C184 N185 A186 F188 L194 H197 | C181-H183 PolarHBondContact O-N 3.24Å; C181-C184 PolarHBondContact O-N 3.44Å; C181-N185 WeakPolarHBondContact O-CA 3.3Å; C181-N185 PolarHBondContact O-N 2.85Å; C181-A186 HydrophobicContact CB-CB 4.48Å; C181-A186 PolarHBondContact N-O 2.87Å; C181-F188 HydrophobicContact CB-CE2 4.18Å; C181-L194 VanDerWaalsContact CA-CD1 3.44Å; C181-L194 HydrophobicContact CB-CD1 3.55Å; C181-H197 PolarHBondContact SG-CD2 2.9Å |
| 182 | V | 87.4 | Confident | 78.6 | Confident | 132 Ų | 132 | 95.5 Ų | 95.5 | 80% | 0.8 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -27.1 | -179.8 | -174.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 183 | H | 88 | Confident | 80.8 | Confident | 115 Ų | 115 | 95.3 Ų | 95.3 | 53% | 0.532 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -22.2 | -175.6 | -59.2 | -71 | 0 | 0 | 0 | 114.8 | C181 H201 | C181-H183 PolarHBondContact O-N 3.24Å; H183-H201 HydrophobicContact CB-CB 4.05Å; H183-H201 WeakPolarHBondContact CB-ND1 3.25Å; H183-H201 AromaticContact CD2-CG 3.95Å; H183-H201 AromaticContact CG-CG 3.86Å |
| 184 | C | 91.7 | Very high | 82.7 | Confident | 60 Ų | 60 | 90.4 Ų | 90.4 | 41% | 0.405 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -147.4 | 4.9 | -176.5 | 68.8 | 0 | 0 | 0 | 0 | 115.4 | C181 A186 H197 | C181-C184 PolarHBondContact O-N 3.44Å; C184-A186 PolarHBondContact O-N 3.5Å; C184-A186 VanDerWaalsContact O-N 3.12Å; C184-A186 VanDerWaalsContact SG-CB 3.59Å; C184-H197 PolarHBondContact SG-NE2 2.86Å |
| 185 | N | 87.9 | Confident | 84.4 | Confident | 126 Ų | 126 | 90.9 Ų | 90.9 | 67% | 0.674 | 48% | 0.475 | S | S | * | . | | | trans | 58 | 15.9 | -177.4 | -61 | -40 | 0 | 0 | 0 | 116.2 | V180 C181 | V180-N185 HydrophobicContact CG1-CB 4.33Å; C181-N185 WeakPolarHBondContact O-CA 3.3Å; C181-N185 PolarHBondContact O-N 2.85Å |
| 186 | A | 88.4 | Confident | 86 | Confident | 34 Ų | 34 | 86.3 Ų | 86.3 | 28% | 0.281 | 45% | 0.447 | S | S | . | . | | | trans | -64.1 | 134.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | V180 C181 C184 F188 | V180-A186 CarbonylContact C-O 3.55Å; V180-A186 WeakPolarHBondContact CA-O 3.37Å; C181-A186 HydrophobicContact CB-CB 4.48Å; C181-A186 PolarHBondContact N-O 2.87Å; C184-A186 PolarHBondContact O-N 3.5Å; C184-A186 VanDerWaalsContact O-N 3.12Å; C184-A186 VanDerWaalsContact SG-CB 3.59Å; A186-F188 HydrophobicContact CB-CE2 3.65Å; A186-F188 HydrophobicContact CB-CZ 3.77Å; A186-F188 WeakPolarHBondContact O-CE2 3.42Å |
| 187 | A | 90.5 | Very high | 87.2 | Confident | 66 Ų | 66 | 82.6 Ų | 82.6 | 55% | 0.545 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 116.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V180 | V180-A187 HydrophobicContact CG2-CB 4.19Å |
| 188 | F | 90.1 | Very high | 88.3 | Confident | 36 Ų | 36 | 76.1 Ų | 76.1 | 16% | 0.158 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 148 | -176.1 | -60.2 | -82.8 | 0 | 0 | 0 | 111.9 | C178 H179 C181 A186 T190 H193 L194 H197 | C178-F188 CarbonylContact C-O 3.53Å; C178-F188 WeakPolarHBondContact CA-O 3.24Å; H179-F188 PolarHBondContact N-O 2.81Å; H179-F188 PolarHBondContact O-N 3.23Å; C181-F188 HydrophobicContact CB-CE2 4.18Å; A186-F188 HydrophobicContact CB-CE2 3.65Å; A186-F188 HydrophobicContact CB-CZ 3.77Å; A186-F188 WeakPolarHBondContact O-CE2 3.42Å; F188-T190 VanDerWaalsContact C-N 3.25Å; F188-T190 PolarHBondContact O-N 3.29Å; F188-H193 HydrophobicContact CB-CB 4.13Å; F188-H193 HydrophobicContact CD1-CB 4.04Å; F188-H193 HydrophobicContact CG-CB 4.35Å; F188-L194 HydrophobicContact CB-CB 4.25Å; F188-L194 HydrophobicContact CD2-CB 3.98Å; F188-L194 HydrophobicContact CD2-CD1 3.92Å; F188-L194 HydrophobicContact CE2-CD1 4.2Å; F188-L194 HydrophobicContact CG-CB 4.33Å; F188-H197 HydrophobicContact CE1-CB 4.06Å; F188-H197 HydrophobicContact CE2-CB 3.89Å; F188-H197 AromaticContact CE2-CD2 3.58Å; F188-H197 AromaticContact CE2-CG 3.61Å; F188-H197 HydrophobicContact CZ-CB 3.57Å; F188-H197 AromaticContact CZ-CD2 3.69Å; F188-H197 AromaticContact CZ-CE1 3.92Å; F188-H197 AromaticContact CZ-CG 3.27Å; F188-H197 AromaticContact CZ-ND1 3.45Å; F188-H197 WeakPolarHBondContact CZ-ND1 3.47Å |
| 189 | R | 88.4 | Confident | 88.7 | Confident | 237 Ų | 237 | 75.2 Ų | 75.2 | 89% | 0.894 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -74.7 | -10.3 | -179.6 | -62.6 | -175.8 | -172.1 | 145 | 8.6 | 114.6 | | |
| 190 | T | 88.1 | Confident | 88.9 | Confident | 59 Ų | 59 | 77.5 Ų | 77.5 | 36% | 0.362 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -149.8 | 155.3 | -177.1 | 61.9 | 0 | 0 | 0 | 0 | 110.2 | H179 F188 Y192 H193 L194 | H179-T190 VanDerWaalsContact CD2-C 3.44Å; F188-T190 VanDerWaalsContact C-N 3.25Å; F188-T190 PolarHBondContact O-N 3.29Å; T190-Y192 VanDerWaalsContact C-N 3.35Å; T190-Y192 PolarHBondContact O-N 3.43Å; T190-H193 PolarHBondContact O-N 2.88Å; T190-H193 PolarHBondContact OG1-N 2.92Å; T190-H193 PolarHBondContact OG1-ND1 2.88Å; T190-L194 PolarHBondContact O-N 3.34Å |
| 191 | N | 88.4 | Confident | 88.9 | Confident | 69 Ų | 69 | 77.7 Ų | 77.7 | 37% | 0.369 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64 | -37.9 | 176.3 | -167.8 | -93.6 | 0 | 0 | 0 | 112.6 | H179 H193 L194 Q195 | H179-N191 PolarHBondContact CD2-N 3.37Å; H179-N191 VanDerWaalsContact CD2-N 3.28Å; H179-N191 PolarHBondContact ND1-ND2 2.95Å; N191-H193 PolarHBondContact O-N 3.4Å; N191-L194 CarbonylContact O-C 3.6Å; N191-L194 WeakPolarHBondContact O-CA 3.34Å; N191-L194 WeakPolarHBondContact O-CB 3.48Å; N191-L194 PolarHBondContact O-N 3.16Å; N191-L194 VanDerWaalsContact O-N 3.08Å; N191-Q195 PolarHBondContact O-N 3.42Å; N191-Q195 PolarHBondContact OD1-NE2 2.82Å |
| 192 | Y | 87.6 | Confident | 88.6 | Confident | 144 Ų | 144 | 80.8 Ų | 80.8 | 57% | 0.565 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -56.6 | -45.7 | 177.4 | 175.8 | -103.6 | 0 | 0 | 0 | 112.8 | T190 L194 Q195 R196 | T190-Y192 VanDerWaalsContact C-N 3.35Å; T190-Y192 PolarHBondContact O-N 3.43Å; Y192-L194 VanDerWaalsContact C-N 3.33Å; Y192-L194 PolarHBondContact O-N 3.13Å; Y192-Q195 PolarHBondContact O-N 3.48Å; Y192-R196 WeakPolarHBondContact O-CB 3.49Å; Y192-R196 PolarHBondContact O-N 3.24Å |
| 193 | H | 89.2 | Confident | 88.6 | Confident | 67 Ų | 67 | 76.6 Ų | 76.6 | 31% | 0.31 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -68.1 | -33 | 177.2 | -73.1 | 79.5 | 0 | 0 | 0 | 112.1 | F188 T190 N191 H197 | F188-H193 HydrophobicContact CB-CB 4.13Å; F188-H193 HydrophobicContact CD1-CB 4.04Å; F188-H193 HydrophobicContact CG-CB 4.35Å; T190-H193 PolarHBondContact O-N 2.88Å; T190-H193 PolarHBondContact OG1-N 2.92Å; T190-H193 PolarHBondContact OG1-ND1 2.88Å; N191-H193 PolarHBondContact O-N 3.4Å; H193-H197 WeakPolarHBondContact O-CB 3.4Å; H193-H197 PolarHBondContact O-N 3.34Å; H193-H197 VanDerWaalsContact O-N 3.1Å |
| 194 | L | 89.8 | Confident | 88.6 | Confident | 23 Ų | 23 | 76.4 Ų | 76.4 | 12% | 0.12 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.7 | -49 | 170.3 | 170.7 | 60.6 | 0 | 0 | 0 | 111.6 | H179 C181 F188 T190 N191 Y192 R196 H197 V198 | H179-L194 HydrophobicContact CB-CB 4.04Å; H179-L194 HydrophobicContact CB-CD2 3.81Å; C181-L194 VanDerWaalsContact CA-CD1 3.44Å; C181-L194 HydrophobicContact CB-CD1 3.55Å; F188-L194 HydrophobicContact CB-CB 4.25Å; F188-L194 HydrophobicContact CD2-CB 3.98Å; F188-L194 HydrophobicContact CD2-CD1 3.92Å; F188-L194 HydrophobicContact CE2-CD1 4.2Å; F188-L194 HydrophobicContact CG-CB 4.33Å; T190-L194 PolarHBondContact O-N 3.34Å; N191-L194 CarbonylContact O-C 3.6Å; N191-L194 WeakPolarHBondContact O-CA 3.34Å; N191-L194 WeakPolarHBondContact O-CB 3.48Å; N191-L194 PolarHBondContact O-N 3.16Å; N191-L194 VanDerWaalsContact O-N 3.08Å; Y192-L194 VanDerWaalsContact C-N 3.33Å; Y192-L194 PolarHBondContact O-N 3.13Å; L194-R196 PolarHBondContact O-N 3.16Å; L194-H197 CarbonylContact O-C 3.58Å; L194-H197 WeakPolarHBondContact O-CA 3.49Å; L194-H197 WeakPolarHBondContact O-CB 3.41Å; L194-H197 PolarHBondContact O-N 2.61Å; L194-V198 HydrophobicContact CD1-CG2 3.87Å; L194-V198 HydrophobicContact CG-CG2 4.3Å; L194-V198 WeakPolarHBondContact O-CG2 3.4Å; L194-V198 PolarHBondContact O-N 3.27Å |
| 195 | Q | 87.4 | Confident | 88.5 | Confident | 106 Ų | 106 | 77.8 Ų | 77.8 | 50% | 0.495 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -58.9 | -46.1 | 178.4 | -72.8 | -179.1 | -23.3 | 0 | 0 | 111.6 | N191 Y192 H197 V198 F199 | N191-Q195 PolarHBondContact O-N 3.42Å; N191-Q195 PolarHBondContact OD1-NE2 2.82Å; Y192-Q195 PolarHBondContact O-N 3.48Å; Q195-H197 PolarHBondContact O-N 2.87Å; Q195-V198 PolarHBondContact O-N 3.2Å; Q195-V198 VanDerWaalsContact O-N 3.1Å; Q195-F199 WeakPolarHBondContact O-CD2 3.45Å; Q195-F199 PolarHBondContact O-N 3.1Å |
| 196 | R | 87.8 | Confident | 88.5 | Confident | 41 Ų | 41 | 75 Ų | 75 | 16% | 0.155 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -52.1 | -40.9 | 172.3 | 178 | 178.4 | 114.3 | -176.8 | -1.1 | 112.4 | D54 Y192 L194 | D54-R196 IonicContact OD1-CZ 2.67Å; D54-R196 IonicContact OD1-NH2 2.72Å; D54-R196 PolarHBondContact OD1-NH2 2.38Å; Y192-R196 WeakPolarHBondContact O-CB 3.49Å; Y192-R196 PolarHBondContact O-N 3.24Å; L194-R196 PolarHBondContact O-N 3.16Å |
| 197 | H | 88.6 | Confident | 88.6 | Confident | 30 Ų | 30 | 76.9 Ų | 76.9 | 14% | 0.139 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -77.3 | -33.6 | 178.4 | 173.1 | 87.9 | 0 | 0 | 0 | 113.2 | C181 C184 F188 H193 L194 Q195 F199 I200 H201 | C181-H197 PolarHBondContact SG-CD2 2.9Å; C184-H197 PolarHBondContact SG-NE2 2.86Å; F188-H197 HydrophobicContact CE1-CB 4.06Å; F188-H197 HydrophobicContact CE2-CB 3.89Å; F188-H197 AromaticContact CE2-CD2 3.58Å; F188-H197 AromaticContact CE2-CG 3.61Å; F188-H197 HydrophobicContact CZ-CB 3.57Å; F188-H197 AromaticContact CZ-CD2 3.69Å; F188-H197 AromaticContact CZ-CE1 3.92Å; F188-H197 AromaticContact CZ-CG 3.27Å; F188-H197 AromaticContact CZ-ND1 3.45Å; F188-H197 WeakPolarHBondContact CZ-ND1 3.47Å; H193-H197 WeakPolarHBondContact O-CB 3.4Å; H193-H197 PolarHBondContact O-N 3.34Å; H193-H197 VanDerWaalsContact O-N 3.1Å; L194-H197 CarbonylContact O-C 3.58Å; L194-H197 WeakPolarHBondContact O-CA 3.49Å; L194-H197 WeakPolarHBondContact O-CB 3.41Å; L194-H197 PolarHBondContact O-N 2.61Å; Q195-H197 PolarHBondContact O-N 2.87Å; H197-F199 PolarHBondContact O-N 3.32Å; H197-I200 VanDerWaalsContact O-CB 3.23Å; H197-I200 WeakPolarHBondContact O-CB 3.19Å; H197-I200 WeakPolarHBondContact O-CG1 3.39Å; H197-I200 PolarHBondContact O-N 3.39Å; H197-H201 AromaticContact CD2-CD2 3.93Å; H197-H201 AromaticContact CD2-NE2 3.68Å; H197-H201 AromaticContact CE1-NE2 3.58Å; H197-H201 AromaticContact NE2-CD2 3.66Å; H197-H201 AromaticContact NE2-NE2 2.93Å; H197-H201 PolarHBondContact NE2-NE2 3.1Å |
| 198 | V | 89 | Confident | 88.7 | Confident | 41 Ų | 41 | 78.6 Ų | 78.6 | 25% | 0.248 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.7 | -34.5 | 176 | 168.1 | 0 | 0 | 0 | 0 | 111.5 | L194 Q195 I200 H201 T202 | L194-V198 HydrophobicContact CD1-CG2 3.87Å; L194-V198 HydrophobicContact CG-CG2 4.3Å; L194-V198 WeakPolarHBondContact O-CG2 3.4Å; L194-V198 PolarHBondContact O-N 3.27Å; Q195-V198 PolarHBondContact O-N 3.2Å; Q195-V198 VanDerWaalsContact O-N 3.1Å; V198-I200 PolarHBondContact O-N 3.1Å; V198-I200 VanDerWaalsContact O-N 3.1Å; V198-H201 WeakPolarHBondContact O-CA 3.28Å; V198-H201 PolarHBondContact O-N 3.43Å; V198-T202 HydrophobicContact CG1-CG2 3.92Å; V198-T202 PolarHBondContact O-N 2.77Å |
| 199 | F | 90.3 | Very high | 88.9 | Confident | 62 Ų | 62 | 77.1 Ų | 77.1 | 27% | 0.272 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.5 | -18.5 | 172.2 | -63.4 | -42.3 | 0 | 0 | 0 | 114.7 | Q195 H197 G203 E204 I217 | Q195-F199 WeakPolarHBondContact O-CD2 3.45Å; Q195-F199 PolarHBondContact O-N 3.1Å; H197-F199 PolarHBondContact O-N 3.32Å; F199-G203 WeakPolarHBondContact O-CA 3.26Å; F199-G203 PolarHBondContact O-N 3.17Å; F199-G203 VanDerWaalsContact O-N 3.13Å; F199-E204 HydrophobicContact CD1-CB 3.98Å; F199-I217 HydrophobicContact CB-CD1 4.34Å; F199-I217 HydrophobicContact CB-CG1 4.31Å; F199-I217 HydrophobicContact CB-CG2 3.72Å; F199-I217 HydrophobicContact CD2-CG2 3.83Å; F199-I217 HydrophobicContact CG-CG2 4.22Å |
| 200 | I | 88.1 | Confident | 89 | Confident | 108 Ų | 108 | 70.3 Ų | 70.3 | 55% | 0.554 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -72.6 | -34 | 172.1 | -53.6 | 175 | 0 | 0 | 0 | 110.5 | H197 V198 I217 | H197-I200 VanDerWaalsContact O-CB 3.23Å; H197-I200 WeakPolarHBondContact O-CB 3.19Å; H197-I200 WeakPolarHBondContact O-CG1 3.39Å; H197-I200 PolarHBondContact O-N 3.39Å; V198-I200 PolarHBondContact O-N 3.1Å; V198-I200 VanDerWaalsContact O-N 3.1Å; I200-I217 HydrophobicContact CG1-CD1 4.07Å |
| 201 | H | 88 | Confident | 89.1 | Confident | 76 Ų | 76 | 73.7 Ų | 73.7 | 35% | 0.352 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -86.2 | -41.9 | -179.9 | -60.9 | -78.3 | 0 | 0 | 0 | 112.9 | H183 H197 V198 G203 | H183-H201 HydrophobicContact CB-CB 4.05Å; H183-H201 WeakPolarHBondContact CB-ND1 3.25Å; H183-H201 AromaticContact CD2-CG 3.95Å; H183-H201 AromaticContact CG-CG 3.86Å; H197-H201 AromaticContact CD2-CD2 3.93Å; H197-H201 AromaticContact CD2-NE2 3.68Å; H197-H201 AromaticContact CE1-NE2 3.58Å; H197-H201 AromaticContact NE2-CD2 3.66Å; H197-H201 AromaticContact NE2-NE2 2.93Å; H197-H201 PolarHBondContact NE2-NE2 3.1Å; V198-H201 WeakPolarHBondContact O-CA 3.28Å; V198-H201 PolarHBondContact O-N 3.43Å; H201-G203 PolarHBondContact O-N 2.66Å |
| 202 | T | 86.4 | Confident | 89.3 | Confident | 64 Ų | 64 | 72.1 Ų | 72.1 | 39% | 0.393 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -73.3 | -19.8 | 175.4 | 64.8 | 0 | 0 | 0 | 0 | 112.2 | V198 E204 | V198-T202 HydrophobicContact CG1-CG2 3.92Å; V198-T202 PolarHBondContact O-N 2.77Å; T202-E204 VanDerWaalsContact CB-OE2 3.26Å; T202-E204 WeakPolarHBondContact CB-OE2 3.17Å; T202-E204 PolarHBondContact O-N 3.43Å; T202-E204 WeakPolarHBondContact OG1-CB 3.22Å; T202-E204 WeakPolarHBondContact OG1-CG 3.41Å; T202-E204 PolarHBondContact OG1-N 3.28Å; T202-E204 PolarHBondContact OG1-OE2 3.38Å |
| 203 | G | 87.4 | Confident | 89.5 | Confident | 44 Ų | 44 | 72 Ų | 72 | 45% | 0.454 | 38% | 0.378 | S | S | . | . | | | trans | 70.4 | 4.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | F199 H201 | F199-G203 WeakPolarHBondContact O-CA 3.26Å; F199-G203 PolarHBondContact O-N 3.17Å; F199-G203 VanDerWaalsContact O-N 3.13Å; H201-G203 PolarHBondContact O-N 2.66Å |
| 204 | E | 87.2 | Confident | 89.5 | Confident | 111 Ų | 111 | 74.1 Ų | 74.1 | 52% | 0.519 | 39% | 0.389 | S | S | . | . | | | trans | -68.4 | 135.4 | 179.7 | -67.3 | 167.3 | 133.6 | 0 | 0 | 111 | F199 T202 | F199-E204 HydrophobicContact CD1-CB 3.98Å; T202-E204 VanDerWaalsContact CB-OE2 3.26Å; T202-E204 WeakPolarHBondContact CB-OE2 3.17Å; T202-E204 PolarHBondContact O-N 3.43Å; T202-E204 WeakPolarHBondContact OG1-CB 3.22Å; T202-E204 WeakPolarHBondContact OG1-CG 3.41Å; T202-E204 PolarHBondContact OG1-N 3.28Å; T202-E204 PolarHBondContact OG1-OE2 3.38Å |
| 205 | K | 89.9 | Confident | 89.7 | Confident | 90 Ų | 90 | 79 Ų | 79 | 39% | 0.391 | 41% | 0.406 | S | S | . | . | | | trans | -135.7 | 86.5 | -174.4 | -67.9 | -178.5 | -161.5 | 176.7 | 0 | 108.4 | F207 R215 F216 I217 | K205-F207 PolarHBondContact O-N 3.04Å; K205-R215 HydrophobicContact CB-CB 3.45Å; K205-R215 VanDerWaalsContact CB-CB 3.45Å; K205-R215 HydrophobicContact CD-CB 4.36Å; K205-R215 WeakPolarHBondContact CD-O 3.47Å; K205-R215 VanDerWaalsContact O-CZ 3.28Å; K205-R215 PolarHBondContact O-NE 3.12Å; K205-R215 PolarHBondContact O-NH2 3.15Å; K205-F216 CarbonylContact C-O 3.48Å; K205-F216 VanDerWaalsContact C-O 3.3Å; K205-F216 WeakPolarHBondContact CA-O 3.28Å; K205-I217 HydrophobicContact CG-CG1 3.93Å |
| 206 | P | 87.6 | Confident | 89.9 | Confident | 68 Ų | 68 | 75.8 Ų | 75.8 | 44% | 0.442 | 39% | 0.391 | S | S | . | . | | | trans | -63.2 | -28 | -170.4 | 19.7 | -30 | 0 | 0 | 0 | 113.4 | Q208 | P206-Q208 PolarHBondContact O-N 3.48Š|
| 207 | F | 90.2 | Very high | 90 | Very high | 72 Ų | 72 | 75.6 Ų | 75.6 | 32% | 0.316 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 96.8 | -175.5 | -55.6 | -77 | 0 | 0 | 0 | 111.8 | K205 R215 F216 I217 K219 L222 | K205-F207 PolarHBondContact O-N 3.04Å; F207-R215 CarbonylContact O-C 3.53Å; F207-R215 WeakPolarHBondContact O-CA 3.15Å; F207-F216 HydrophobicContact CB-CB 4.39Å; F207-F216 PolarHBondContact N-O 2.64Å; F207-F216 VanDerWaalsContact N-O 3.13Å; F207-F216 PolarHBondContact O-N 3.24Å; F207-I217 WeakPolarHBondContact CD2-O 3.15Å; F207-I217 WeakPolarHBondContact CE2-O 3.42Å; F207-K219 HydrophobicContact CD1-CB 4Å; F207-K219 HydrophobicContact CD1-CG 4.35Å; F207-K219 HydrophobicContact CE1-CB 3.79Å; F207-K219 HydrophobicContact CE1-CG 4.29Å; F207-K219 HydrophobicContact CE2-CB 4.46Å; F207-K219 HydrophobicContact CG-CB 4.43Å; F207-K219 HydrophobicContact CZ-CB 4.04Å; F207-L222 HydrophobicContact CB-CB 4.17Å; F207-L222 HydrophobicContact CB-CD2 3.96Å |
| 208 | Q | 92.8 | Very high | 90.1 | Very high | 102 Ų | 102 | 75.4 Ų | 75.4 | 48% | 0.477 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 144.6 | 172.6 | -176.3 | 163.9 | -15.2 | 0 | 0 | 111.6 | P206 R215 L222 | P206-Q208 PolarHBondContact O-N 3.48Å; Q208-R215 HydrophobicContact CB-CG 3.95Å; Q208-R215 HydrophobicContact CG-CG 4Å; Q208-L222 WeakPolarHBondContact O-CD2 3.45Å |
| 209 | C | 94.4 | Very high | 90.1 | Very high | 6 Ų | 6 | 79.9 Ų | 79.9 | 4% | 0.041 | 41% | 0.407 | C | S | . | . | | | trans | -79 | 140 | 172.2 | -171.9 | 0 | 0 | 0 | 0 | 111.9 | Q211 C212 M214 F216 L222 H229 | C209-Q211 VanDerWaalsContact C-N 3.26Å; C209-Q211 PolarHBondContact O-N 3.3Å; C209-Q211 PolarHBondContact SG-N 2.85Å; C209-C212 WeakPolarHBondContact CB-O 3.32Å; C209-M214 PolarHBondContact N-O 3Å; C209-F216 HydrophobicContact CB-CE2 4.48Å; C209-L222 VanDerWaalsContact CA-CD1 3.48Å; C209-L222 HydrophobicContact CB-CD1 3.53Å; C209-H229 PolarHBondContact SG-NE2 2.87Å |
| 210 | S | 91.1 | Very high | 90.1 | Very high | 93 Ų | 93 | 81.7 Ų | 81.7 | 65% | 0.65 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -69 | -21.8 | 175.4 | 53 | 0 | 0 | 0 | 0 | 113.7 | | |
| 211 | Q | 89.4 | Confident | 90.3 | Very high | 130 Ų | 130 | 78.3 Ų | 78.3 | 61% | 0.607 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -105.7 | -7.8 | -173.7 | -60.1 | -64.7 | -23.7 | 0 | 0 | 113.9 | C209 H229 | C209-Q211 VanDerWaalsContact C-N 3.26Å; C209-Q211 PolarHBondContact O-N 3.3Å; C209-Q211 PolarHBondContact SG-N 2.85Å; Q211-H229 HydrophobicContact CB-CB 4.21Å; Q211-H229 HydrophobicContact CG-CB 4.26Å; Q211-H229 PolarHBondContact O-CE1 3.23Å |
| 212 | C | 92.9 | Very high | 90.5 | Very high | 36 Ų | 36 | 75.5 Ų | 75.5 | 24% | 0.243 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -167.5 | 164.8 | 169.2 | 65.7 | 0 | 0 | 0 | 0 | 112 | C209 M214 H225 H229 | C209-C212 WeakPolarHBondContact CB-O 3.32Å; C212-M214 PolarHBondContact O-N 3.31Å; C212-H225 PolarHBondContact SG-NE2 3.24Å; C212-H225 VanDerWaalsContact SG-NE2 3.39Å; C212-H229 WeakPolarHBondContact CB-CE1 3.44Å; C212-H229 PolarHBondContact SG-CE1 3.34Å; C212-H229 PolarHBondContact SG-NE2 3.32Å |
| 213 | D | 91 | Very high | 90.7 | Very high | 141 Ų | 141 | 77.2 Ų | 77.2 | 75% | 0.754 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -68.8 | 12.9 | -176.9 | -43.5 | -70.5 | 0 | 0 | 0 | 115.2 | R215 | D213-R215 PolarHBondContact O-N 2.89Š|
| 214 | M | 90.8 | Very high | 90.9 | Very high | 112 Ų | 112 | 78.6 Ų | 78.6 | 55% | 0.552 | 38% | 0.379 | S | S | * | . | | | trans | -71.1 | 122.4 | 173.7 | -75 | -69.1 | -175.8 | 0 | 0 | 110.5 | C209 C212 F216 | C209-M214 PolarHBondContact N-O 3Å; C212-M214 PolarHBondContact O-N 3.31Å; M214-F216 HydrophobicContact CB-CE2 3.77Å; M214-F216 HydrophobicContact CB-CZ 3.83Å; M214-F216 WeakPolarHBondContact O-CE2 3.39Å |
| 215 | R | 92.9 | Very high | 91.1 | Very high | 126 Ų | 126 | 74.7 Ų | 74.7 | 48% | 0.475 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 145.3 | 176.2 | -57.6 | -179.2 | 61.3 | 169.5 | 3 | 110.8 | K205 F207 Q208 D213 | K205-R215 HydrophobicContact CB-CB 3.45Å; K205-R215 VanDerWaalsContact CB-CB 3.45Å; K205-R215 HydrophobicContact CD-CB 4.36Å; K205-R215 WeakPolarHBondContact CD-O 3.47Å; K205-R215 VanDerWaalsContact O-CZ 3.28Å; K205-R215 PolarHBondContact O-NE 3.12Å; K205-R215 PolarHBondContact O-NH2 3.15Å; F207-R215 CarbonylContact O-C 3.53Å; F207-R215 WeakPolarHBondContact O-CA 3.15Å; Q208-R215 HydrophobicContact CB-CG 3.95Å; Q208-R215 HydrophobicContact CG-CG 4Å; D213-R215 PolarHBondContact O-N 2.89Å |
| 216 | F | 91.3 | Very high | 91.2 | Very high | 39 Ų | 39 | 73 Ų | 73 | 17% | 0.171 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 152.1 | -176 | -59.3 | -84.4 | 0 | 0 | 0 | 112 | K205 F207 C209 M214 L221 L222 H225 | K205-F216 CarbonylContact C-O 3.48Å; K205-F216 VanDerWaalsContact C-O 3.3Å; K205-F216 WeakPolarHBondContact CA-O 3.28Å; F207-F216 HydrophobicContact CB-CB 4.39Å; F207-F216 PolarHBondContact N-O 2.64Å; F207-F216 VanDerWaalsContact N-O 3.13Å; F207-F216 PolarHBondContact O-N 3.24Å; C209-F216 HydrophobicContact CB-CE2 4.48Å; M214-F216 HydrophobicContact CB-CE2 3.77Å; M214-F216 HydrophobicContact CB-CZ 3.83Å; M214-F216 WeakPolarHBondContact O-CE2 3.39Å; F216-L221 HydrophobicContact CB-CB 4.12Å; F216-L221 HydrophobicContact CD1-CB 4.02Å; F216-L221 HydrophobicContact CG-CB 4.31Å; F216-L222 HydrophobicContact CB-CB 4.41Å; F216-L222 HydrophobicContact CD2-CB 3.95Å; F216-L222 HydrophobicContact CD2-CD1 4.01Å; F216-L222 HydrophobicContact CE2-CD1 4.18Å; F216-L222 HydrophobicContact CG-CB 4.36Å; F216-H225 HydrophobicContact CE1-CB 4.05Å; F216-H225 HydrophobicContact CE2-CB 3.86Å; F216-H225 AromaticContact CE2-CD2 3.57Å; F216-H225 AromaticContact CE2-CG 3.66Å; F216-H225 HydrophobicContact CZ-CB 3.49Å; F216-H225 VanDerWaalsContact CZ-CB 3.49Å; F216-H225 AromaticContact CZ-CD2 3.61Å; F216-H225 AromaticContact CZ-CG 3.26Å; F216-H225 AromaticContact CZ-ND1 3.58Å |
| 217 | I | 90.8 | Very high | 91.4 | Very high | 37 Ų | 37 | 73.6 Ų | 73.6 | 19% | 0.19 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -74.7 | -27 | 177.2 | -61.5 | 177.6 | 0 | 0 | 0 | 111.4 | F199 I200 K205 F207 | F199-I217 HydrophobicContact CB-CD1 4.34Å; F199-I217 HydrophobicContact CB-CG1 4.31Å; F199-I217 HydrophobicContact CB-CG2 3.72Å; F199-I217 HydrophobicContact CD2-CG2 3.83Å; F199-I217 HydrophobicContact CG-CG2 4.22Å; I200-I217 HydrophobicContact CG1-CD1 4.07Å; K205-I217 HydrophobicContact CG-CG1 3.93Å; F207-I217 WeakPolarHBondContact CD2-O 3.15Å; F207-I217 WeakPolarHBondContact CE2-O 3.42Å |
| 218 | Q | 90 | Very high | 91.4 | Very high | 26 Ų | 26 | 75.1 Ų | 75.1 | 12% | 0.121 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -136.2 | 145.6 | -173 | -51.8 | -168.3 | 72.3 | 0 | 0 | 112.6 | Y220 L221 L222 | Q218-Y220 HydrophobicContact CB-CD1 3.89Å; Q218-Y220 HydrophobicContact CB-CE1 3.81Å; Q218-Y220 VanDerWaalsContact CD-CE1 3.47Å; Q218-Y220 HydrophobicContact CG-CE1 4.26Å; Q218-Y220 PolarHBondContact NE2-OH 3.47Å; Q218-Y220 PolarHBondContact O-N 2.81Å; Q218-L221 HydrophobicContact CB-CD1 3.92Å; Q218-L221 HydrophobicContact CB-CG 4.08Å; Q218-L221 HydrophobicContact CG-CD1 4.11Å; Q218-L221 WeakPolarHBondContact O-CB 3.27Å; Q218-L221 PolarHBondContact O-N 3.46Å; Q218-L221 VanDerWaalsContact O-N 3.11Å; Q218-L222 PolarHBondContact O-N 3.48Å |
| 219 | K | 90.4 | Very high | 91.3 | Very high | 134 Ų | 134 | 74.6 Ų | 74.6 | 58% | 0.583 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -60.6 | -39.1 | -177.1 | -170 | 174.8 | 179.2 | 178.4 | 0 | 113.6 | F207 L221 L222 Q223 | F207-K219 HydrophobicContact CD1-CB 4Å; F207-K219 HydrophobicContact CD1-CG 4.35Å; F207-K219 HydrophobicContact CE1-CB 3.79Å; F207-K219 HydrophobicContact CE1-CG 4.29Å; F207-K219 HydrophobicContact CE2-CB 4.46Å; F207-K219 HydrophobicContact CG-CB 4.43Å; F207-K219 HydrophobicContact CZ-CB 4.04Å; K219-L221 VanDerWaalsContact C-N 3.3Å; K219-L221 PolarHBondContact O-N 2.88Å; K219-L222 WeakPolarHBondContact O-CB 3.28Å; K219-L222 PolarHBondContact O-N 3.17Å; K219-Q223 PolarHBondContact O-N 2.93Å |
| 220 | Y | 89.5 | Confident | 91 | Very high | 100 Ų | 100 | 78.4 Ų | 78.4 | 39% | 0.392 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -67.8 | -30.3 | 177.4 | 80.4 | -92.4 | 0 | 0 | 0 | 112.4 | Q218 L222 Q223 R224 | Q218-Y220 HydrophobicContact CB-CD1 3.89Å; Q218-Y220 HydrophobicContact CB-CE1 3.81Å; Q218-Y220 VanDerWaalsContact CD-CE1 3.47Å; Q218-Y220 HydrophobicContact CG-CE1 4.26Å; Q218-Y220 PolarHBondContact NE2-OH 3.47Å; Q218-Y220 PolarHBondContact O-N 2.81Å; Y220-L222 VanDerWaalsContact C-N 3.35Å; Y220-Q223 PolarHBondContact O-N 2.82Å; Y220-R224 WeakPolarHBondContact O-CB 3.37Å; Y220-R224 PolarHBondContact O-N 3.45Å |
| 221 | L | 91.9 | Very high | 90.9 | Very high | 37 Ų | 37 | 76 Ų | 76 | 19% | 0.194 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -67.4 | -38 | 174.7 | -63.2 | 173.5 | 0 | 0 | 0 | 111 | F216 Q218 K219 R224 H225 | F216-L221 HydrophobicContact CB-CB 4.12Å; F216-L221 HydrophobicContact CD1-CB 4.02Å; F216-L221 HydrophobicContact CG-CB 4.31Å; Q218-L221 HydrophobicContact CB-CD1 3.92Å; Q218-L221 HydrophobicContact CB-CG 4.08Å; Q218-L221 HydrophobicContact CG-CD1 4.11Å; Q218-L221 WeakPolarHBondContact O-CB 3.27Å; Q218-L221 PolarHBondContact O-N 3.46Å; Q218-L221 VanDerWaalsContact O-N 3.11Å; K219-L221 VanDerWaalsContact C-N 3.3Å; K219-L221 PolarHBondContact O-N 2.88Å; L221-R224 VanDerWaalsContact CD2-NH2 3.25Å; L221-H225 WeakPolarHBondContact O-CB 3.49Å; L221-H225 PolarHBondContact O-N 2.87Å |
| 222 | L | 93.3 | Very high | 90.9 | Very high | 18 Ų | 18 | 74.6 Ų | 74.6 | 9% | 0.094 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.1 | -53.2 | 170.9 | 169.6 | 58.8 | 0 | 0 | 0 | 111.2 | F207 Q208 C209 F216 Q218 K219 Y220 R224 H225 E226 | F207-L222 HydrophobicContact CB-CB 4.17Å; F207-L222 HydrophobicContact CB-CD2 3.96Å; Q208-L222 WeakPolarHBondContact O-CD2 3.45Å; C209-L222 VanDerWaalsContact CA-CD1 3.48Å; C209-L222 HydrophobicContact CB-CD1 3.53Å; F216-L222 HydrophobicContact CB-CB 4.41Å; F216-L222 HydrophobicContact CD2-CB 3.95Å; F216-L222 HydrophobicContact CD2-CD1 4.01Å; F216-L222 HydrophobicContact CE2-CD1 4.18Å; F216-L222 HydrophobicContact CG-CB 4.36Å; Q218-L222 PolarHBondContact O-N 3.48Å; K219-L222 WeakPolarHBondContact O-CB 3.28Å; K219-L222 PolarHBondContact O-N 3.17Å; Y220-L222 VanDerWaalsContact C-N 3.35Å; L222-R224 PolarHBondContact O-N 3.46Å; L222-H225 CarbonylContact O-C 3.58Å; L222-H225 WeakPolarHBondContact O-CA 3.45Å; L222-H225 VanDerWaalsContact O-CB 3.31Å; L222-H225 WeakPolarHBondContact O-CB 3.33Å; L222-H225 PolarHBondContact O-N 3.27Å; L222-E226 HydrophobicContact CD1-CG 3.81Å; L222-E226 HydrophobicContact CG-CG 4.35Å; L222-E226 WeakPolarHBondContact O-CG 3.36Å; L222-E226 PolarHBondContact O-N 2.87Å |
| 223 | Q | 90.6 | Very high | 90.8 | Very high | 99 Ų | 99 | 76.8 Ų | 76.8 | 46% | 0.463 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -58.3 | -36.6 | 177.9 | -69.5 | 175.1 | -34.4 | 0 | 0 | 112.7 | K219 Y220 H225 E226 K227 | K219-Q223 PolarHBondContact O-N 2.93Å; Y220-Q223 PolarHBondContact O-N 2.82Å; Q223-H225 VanDerWaalsContact C-N 3.28Å; Q223-H225 PolarHBondContact O-N 3.22Å; Q223-E226 PolarHBondContact O-N 3.46Å; Q223-K227 PolarHBondContact O-N 2.99Å |
| 224 | R | 90.9 | Very high | 90.7 | Very high | 73 Ų | 73 | 73.3 Ų | 73.3 | 28% | 0.275 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -69.5 | -23.8 | 174.7 | -170.2 | 170.8 | 79.5 | 170.6 | 6.1 | 112.7 | Y220 L221 L222 Q246 | Y220-R224 WeakPolarHBondContact O-CB 3.37Å; Y220-R224 PolarHBondContact O-N 3.45Å; L221-R224 VanDerWaalsContact CD2-NH2 3.25Å; L222-R224 PolarHBondContact O-N 3.46Å; R224-Q246 HydrophobicContact CG-CG 4.29Å |
| 225 | H | 92.5 | Very high | 90.8 | Very high | 29 Ų | 29 | 71.4 Ų | 71.4 | 13% | 0.134 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -85.2 | -36.7 | 172.3 | 173.8 | 79.3 | 0 | 0 | 0 | 112.6 | C212 F216 L221 L222 Q223 K227 I228 H229 | C212-H225 PolarHBondContact SG-NE2 3.24Å; C212-H225 VanDerWaalsContact SG-NE2 3.39Å; F216-H225 HydrophobicContact CE1-CB 4.05Å; F216-H225 HydrophobicContact CE2-CB 3.86Å; F216-H225 AromaticContact CE2-CD2 3.57Å; F216-H225 AromaticContact CE2-CG 3.66Å; F216-H225 HydrophobicContact CZ-CB 3.49Å; F216-H225 VanDerWaalsContact CZ-CB 3.49Å; F216-H225 AromaticContact CZ-CD2 3.61Å; F216-H225 AromaticContact CZ-CG 3.26Å; F216-H225 AromaticContact CZ-ND1 3.58Å; L221-H225 WeakPolarHBondContact O-CB 3.49Å; L221-H225 PolarHBondContact O-N 2.87Å; L222-H225 CarbonylContact O-C 3.58Å; L222-H225 WeakPolarHBondContact O-CA 3.45Å; L222-H225 VanDerWaalsContact O-CB 3.31Å; L222-H225 WeakPolarHBondContact O-CB 3.33Å; L222-H225 PolarHBondContact O-N 3.27Å; Q223-H225 VanDerWaalsContact C-N 3.28Å; Q223-H225 PolarHBondContact O-N 3.22Å; H225-K227 PolarHBondContact O-N 3.46Å; H225-I228 WeakPolarHBondContact O-CA 3.44Å; H225-I228 WeakPolarHBondContact O-CB 3.44Å; H225-I228 WeakPolarHBondContact O-CG1 3.46Å; H225-I228 PolarHBondContact O-N 3.02Å; H225-H229 AromaticContact CD2-NE2 3.16Å; H225-H229 PolarHBondContact CD2-NE2 3.34Å; H225-H229 AromaticContact CE1-NE2 3.34Å; H225-H229 PolarHBondContact CE1-NE2 3.24Å; H225-H229 VanDerWaalsContact CE1-NE2 3.34Å; H225-H229 AromaticContact NE2-CD2 3.75Å; H225-H229 AromaticContact NE2-NE2 2.38Å; H225-H229 PolarHBondContact NE2-NE2 3.35Å |
| 226 | E | 91.2 | Very high | 90.9 | Very high | 56 Ų | 56 | 72.9 Ų | 72.9 | 26% | 0.262 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.6 | -33.2 | 178 | -73.1 | 170.7 | 146.4 | 0 | 0 | 112.1 | L222 Q223 I228 H229 T230 | L222-E226 HydrophobicContact CD1-CG 3.81Å; L222-E226 HydrophobicContact CG-CG 4.35Å; L222-E226 WeakPolarHBondContact O-CG 3.36Å; L222-E226 PolarHBondContact O-N 2.87Å; Q223-E226 PolarHBondContact O-N 3.46Å; E226-I228 PolarHBondContact O-N 3.38Å; E226-I228 VanDerWaalsContact O-N 3.1Å; E226-H229 WeakPolarHBondContact O-CA 3.49Å; E226-H229 WeakPolarHBondContact O-CB 3.32Å; E226-H229 PolarHBondContact O-N 3.2Å; E226-T230 PolarHBondContact O-N 3Å |
| 227 | K | 92.1 | Very high | 91 | Very high | 79 Ų | 79 | 71 Ų | 71 | 34% | 0.343 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.4 | -15.5 | 169.9 | -67.5 | 175.3 | -179.3 | 178.5 | 0 | 114.7 | Q223 H225 G231 E232 I245 | Q223-K227 PolarHBondContact O-N 2.99Å; H225-K227 PolarHBondContact O-N 3.46Å; K227-G231 CarbonylContact O-C 3.54Å; K227-G231 PolarHBondContact O-N 3.2Å; K227-E232 HydrophobicContact CB-CB 4.22Å; K227-E232 HydrophobicContact CG-CB 4.18Å; K227-E232 PolarHBondContact O-N 3Å; K227-E232 VanDerWaalsContact O-N 3.14Å; K227-I245 HydrophobicContact CB-CG2 3.66Å; K227-I245 HydrophobicContact CD-CG2 4.32Å |
| 228 | I | 90.8 | Very high | 91.1 | Very high | 104 Ų | 104 | 74.8 Ų | 74.8 | 53% | 0.533 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -77.3 | -35 | 171.1 | -53.3 | 173.3 | 0 | 0 | 0 | 110.4 | H225 E226 I245 | H225-I228 WeakPolarHBondContact O-CA 3.44Å; H225-I228 WeakPolarHBondContact O-CB 3.44Å; H225-I228 WeakPolarHBondContact O-CG1 3.46Å; H225-I228 PolarHBondContact O-N 3.02Å; E226-I228 PolarHBondContact O-N 3.38Å; E226-I228 VanDerWaalsContact O-N 3.1Å; I228-I245 HydrophobicContact CB-CD1 4.31Å; I228-I245 HydrophobicContact CG1-CD1 3.66Å |
| 229 | H | 89.9 | Confident | 91.1 | Very high | 91 Ų | 91 | 79 Ų | 79 | 42% | 0.421 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -78.4 | -42.7 | 177.9 | -66 | -78.7 | 0 | 0 | 0 | 112.1 | C209 Q211 C212 H225 E226 G231 | C209-H229 PolarHBondContact SG-NE2 2.87Å; Q211-H229 HydrophobicContact CB-CB 4.21Å; Q211-H229 HydrophobicContact CG-CB 4.26Å; Q211-H229 PolarHBondContact O-CE1 3.23Å; C212-H229 WeakPolarHBondContact CB-CE1 3.44Å; C212-H229 PolarHBondContact SG-CE1 3.34Å; C212-H229 PolarHBondContact SG-NE2 3.32Å; H225-H229 AromaticContact CD2-NE2 3.16Å; H225-H229 PolarHBondContact CD2-NE2 3.34Å; H225-H229 AromaticContact CE1-NE2 3.34Å; H225-H229 PolarHBondContact CE1-NE2 3.24Å; H225-H229 VanDerWaalsContact CE1-NE2 3.34Å; H225-H229 AromaticContact NE2-CD2 3.75Å; H225-H229 AromaticContact NE2-NE2 2.38Å; H225-H229 PolarHBondContact NE2-NE2 3.35Å; E226-H229 WeakPolarHBondContact O-CA 3.49Å; E226-H229 WeakPolarHBondContact O-CB 3.32Å; E226-H229 PolarHBondContact O-N 3.2Å; H229-G231 PolarHBondContact O-N 3.24Å |
| 230 | T | 88.6 | Confident | 91.2 | Very high | 87 Ų | 87 | 75.2 Ų | 75.2 | 53% | 0.534 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -72 | -13.5 | 173.8 | 67.3 | 0 | 0 | 0 | 0 | 113 | E226 E232 | E226-T230 PolarHBondContact O-N 3Å; T230-E232 WeakPolarHBondContact CB-OE1 3.47Å; T230-E232 PolarHBondContact O-N 3.29Å; T230-E232 WeakPolarHBondContact OG1-CB 3.07Å; T230-E232 VanDerWaalsContact OG1-CD 3.27Å; T230-E232 VanDerWaalsContact OG1-CG 3.28Å; T230-E232 WeakPolarHBondContact OG1-CG 3.29Å; T230-E232 PolarHBondContact OG1-N 2.89Å; T230-E232 PolarHBondContact OG1-OE1 3.01Å |
| 231 | G | 89.1 | Confident | 91.3 | Very high | 42 Ų | 42 | 71.7 Ų | 71.7 | 43% | 0.433 | 36% | 0.364 | S | S | . | . | | | trans | 70.7 | 9.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | K227 H229 K233 | K227-G231 CarbonylContact O-C 3.54Å; K227-G231 PolarHBondContact O-N 3.2Å; H229-G231 PolarHBondContact O-N 3.24Å; G231-K233 WeakPolarHBondContact O-CG 3.39Å; G231-K233 PolarHBondContact O-N 2.94Å |
| 232 | E | 88.6 | Confident | 91.3 | Very high | 101 Ų | 101 | 73.7 Ų | 73.7 | 47% | 0.472 | 37% | 0.374 | S | S | . | . | | | trans | -61.9 | 104.9 | -179 | -85 | 169.5 | -122.6 | 0 | 0 | 112.3 | K227 T230 P234 | K227-E232 HydrophobicContact CB-CB 4.22Å; K227-E232 HydrophobicContact CG-CB 4.18Å; K227-E232 PolarHBondContact O-N 3Å; K227-E232 VanDerWaalsContact O-N 3.14Å; T230-E232 WeakPolarHBondContact CB-OE1 3.47Å; T230-E232 PolarHBondContact O-N 3.29Å; T230-E232 WeakPolarHBondContact OG1-CB 3.07Å; T230-E232 VanDerWaalsContact OG1-CD 3.27Å; T230-E232 VanDerWaalsContact OG1-CG 3.28Å; T230-E232 WeakPolarHBondContact OG1-CG 3.29Å; T230-E232 PolarHBondContact OG1-N 2.89Å; T230-E232 PolarHBondContact OG1-OE1 3.01Å; E232-P234 VanDerWaalsContact C-CD 3.41Å; E232-P234 WeakPolarHBondContact O-CD 3.5Å |
| 233 | K | 90.9 | Very high | 91.2 | Very high | 81 Ų | 81 | 79.7 Ų | 79.7 | 35% | 0.352 | 40% | 0.395 | S | S | . | . | | | trans | -112.3 | 76.2 | 175.6 | -68.1 | 163.8 | 175.1 | -176.9 | 0 | 109.1 | G231 F235 R243 F244 I245 | G231-K233 WeakPolarHBondContact O-CG 3.39Å; G231-K233 PolarHBondContact O-N 2.94Å; K233-F235 VanDerWaalsContact C-N 3.34Å; K233-F235 PolarHBondContact O-N 3.11Å; K233-R243 HydrophobicContact CB-CB 3.48Å; K233-R243 VanDerWaalsContact CB-CB 3.48Å; K233-R243 HydrophobicContact CD-CB 4.28Å; K233-R243 WeakPolarHBondContact CD-O 3.34Å; K233-R243 HydrophobicContact CG-CB 4.45Å; K233-R243 VanDerWaalsContact O-CZ 3.26Å; K233-R243 PolarHBondContact O-NE 3.46Å; K233-R243 PolarHBondContact O-NH2 3.19Å; K233-F244 CarbonylContact C-O 3.55Å; K233-F244 VanDerWaalsContact C-O 3.22Å; K233-F244 VanDerWaalsContact CA-O 3.27Å; K233-F244 WeakPolarHBondContact CA-O 3.31Å; K233-I245 HydrophobicContact CG-CG1 3.85Å |
| 234 | P | 89.8 | Confident | 91.3 | Very high | 68 Ų | 68 | 76.9 Ų | 76.9 | 44% | 0.442 | 38% | 0.382 | S | S | . | . | | | trans | -64.1 | -35.4 | -174.5 | 22.7 | -32.5 | 0 | 0 | 0 | 113.1 | E232 R236 | E232-P234 VanDerWaalsContact C-CD 3.41Å; E232-P234 WeakPolarHBondContact O-CD 3.5Å; P234-R236 PolarHBondContact O-N 3.48Å |
| 235 | F | 92.4 | Very high | 91.4 | Very high | 73 Ų | 73 | 75.2 Ų | 75.2 | 32% | 0.32 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 107 | -174.9 | -55.4 | -78.5 | 0 | 0 | 0 | 111.3 | K233 R243 F244 I245 K247 M250 | K233-F235 VanDerWaalsContact C-N 3.34Å; K233-F235 PolarHBondContact O-N 3.11Å; F235-R243 CarbonylContact O-C 3.22Å; F235-R243 WeakPolarHBondContact O-CA 3.49Å; F235-F244 HydrophobicContact CB-CB 4.48Å; F235-F244 PolarHBondContact N-O 3Å; F235-F244 VanDerWaalsContact N-O 3.1Å; F235-F244 PolarHBondContact O-N 3.32Å; F235-I245 WeakPolarHBondContact CE2-O 3.4Å; F235-K247 HydrophobicContact CD1-CB 3.96Å; F235-K247 HydrophobicContact CD1-CG 4.47Å; F235-K247 VanDerWaalsContact CD2-N 3.34Å; F235-K247 HydrophobicContact CE1-CB 3.69Å; F235-K247 HydrophobicContact CE1-CD 4.5Å; F235-K247 HydrophobicContact CE1-CG 4.26Å; F235-K247 HydrophobicContact CE2-CB 4.29Å; F235-K247 HydrophobicContact CG-CB 4.38Å; F235-K247 HydrophobicContact CZ-CB 3.87Å; F235-M250 HydrophobicContact CB-CB 3.98Å; F235-M250 HydrophobicContact CB-CG 4.31Å |
| 236 | R | 93.6 | Very high | 91.3 | Very high | 156 Ų | 156 | 75.6 Ų | 75.6 | 59% | 0.589 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 142.5 | 173 | -176.4 | 172.1 | 176.2 | 159.1 | 1.7 | 110.4 | P234 R243 M250 | P234-R236 PolarHBondContact O-N 3.48Å; R236-R243 HydrophobicContact CB-CG 4.39Å; R236-R243 HydrophobicContact CG-CG 4.43Å; R236-M250 WeakPolarHBondContact O-CG 3.11Å |
| 237 | C | 94.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 38% | 0.383 | C | S | . | . | | | trans | -88.7 | 125.5 | 162.4 | 179.2 | 0 | 0 | 0 | 0 | 108.8 | E239 G241 M242 F244 M250 | C237-E239 VanDerWaalsContact C-N 3.34Å; C237-E239 PolarHBondContact O-N 3.24Å; C237-G241 WeakPolarHBondContact O-CA 3.36Å; C237-G241 PolarHBondContact O-N 2.73Å; C237-M242 PolarHBondContact N-O 2.62Å; C237-F244 HydrophobicContact CB-CE2 4.14Å; C237-M250 HydrophobicContact CB-CG 4.22Å |
| 238 | D | 91.8 | Very high | 91.2 | Very high | 116 Ų | 116 | 76.9 Ų | 76.9 | 62% | 0.62 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -31.8 | -173 | -45.4 | -70.1 | 0 | 0 | 0 | 112.4 | K254 | D238-K254 WeakPolarHBondContact OD2-CE 3.37Å; D238-K254 IonicContact OD2-NZ 2.66Å; D238-K254 PolarHBondContact OD2-NZ 3.25Å |
| 239 | E | 91.3 | Very high | 91.2 | Very high | 114 Ų | 114 | 74.6 Ų | 74.6 | 53% | 0.533 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -29.2 | -173.3 | -63.6 | 162.4 | -97.7 | 0 | 0 | 113.5 | C237 K254 H257 | C237-E239 VanDerWaalsContact C-N 3.34Å; C237-E239 PolarHBondContact O-N 3.24Å; E239-K254 WeakPolarHBondContact OE1-CG 3.22Å; E239-H257 IonicContact OE1-CD2 3.7Å; E239-H257 WeakPolarHBondContact OE2-CB 3.44Å; E239-H257 IonicContact OE2-CD2 2.66Å; E239-H257 IonicContact OE2-CG 3.83Å |
| 240 | C | 92.2 | Very high | 91.4 | Very high | 56 Ų | 56 | 71.3 Ų | 71.3 | 38% | 0.378 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132 | -3.5 | -175.3 | 68.1 | 0 | 0 | 0 | 0 | 114.3 | M242 H253 H257 | C240-M242 HydrophobicContact CB-CG 4.46Å; C240-M242 PolarHBondContact O-N 2.81Å; C240-M242 VanDerWaalsContact O-N 3.15Å; C240-M242 VanDerWaalsContact SG-CB 3.56Å; C240-M242 VanDerWaalsContact SG-CG 3.58Å; C240-M242 PolarHBondContact SG-N 3.39Å; C240-H253 PolarHBondContact SG-NE2 3.29Å; C240-H257 PolarHBondContact SG-NE2 2.9Å |
| 241 | G | 90.6 | Very high | 91.5 | Very high | 25 Ų | 25 | 71 Ų | 71 | 26% | 0.258 | 35% | 0.347 | S | S | . | . | | | trans | 73 | -7.2 | -177 | 0 | 0 | 0 | 0 | 0 | 116 | C237 | C237-G241 WeakPolarHBondContact O-CA 3.36Å; C237-G241 PolarHBondContact O-N 2.73Å |
| 242 | M | 91.8 | Very high | 91.5 | Very high | 79 Ų | 79 | 72.3 Ų | 72.3 | 39% | 0.389 | 34% | 0.339 | S | S | . | . | | | trans | -60.8 | 137.6 | -178.2 | -68.8 | -68.7 | -82.8 | 0 | 0 | 111.5 | C237 C240 F244 | C237-M242 PolarHBondContact N-O 2.62Å; C240-M242 HydrophobicContact CB-CG 4.46Å; C240-M242 PolarHBondContact O-N 2.81Å; C240-M242 VanDerWaalsContact O-N 3.15Å; C240-M242 VanDerWaalsContact SG-CB 3.56Å; C240-M242 VanDerWaalsContact SG-CG 3.58Å; C240-M242 PolarHBondContact SG-N 3.39Å; M242-F244 HydrophobicContact CB-CE2 3.8Å; M242-F244 HydrophobicContact CB-CZ 3.94Å; M242-F244 WeakPolarHBondContact O-CE2 3.39Å |
| 243 | R | 92.9 | Very high | 91.6 | Very high | 145 Ų | 145 | 69.4 Ų | 69.4 | 55% | 0.547 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 141.1 | -176 | -56.9 | -177.7 | 64.1 | 169.3 | 2.3 | 111.6 | K233 F235 R236 | K233-R243 HydrophobicContact CB-CB 3.48Å; K233-R243 VanDerWaalsContact CB-CB 3.48Å; K233-R243 HydrophobicContact CD-CB 4.28Å; K233-R243 WeakPolarHBondContact CD-O 3.34Å; K233-R243 HydrophobicContact CG-CB 4.45Å; K233-R243 VanDerWaalsContact O-CZ 3.26Å; K233-R243 PolarHBondContact O-NE 3.46Å; K233-R243 PolarHBondContact O-NH2 3.19Å; F235-R243 CarbonylContact O-C 3.22Å; F235-R243 WeakPolarHBondContact O-CA 3.49Å; R236-R243 HydrophobicContact CB-CG 4.39Å; R236-R243 HydrophobicContact CG-CG 4.43Å |
| 244 | F | 91.8 | Very high | 91.6 | Very high | 40 Ų | 40 | 68.5 Ų | 68.5 | 18% | 0.175 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 152.3 | -175.5 | -58.1 | -88.7 | 0 | 0 | 0 | 111.6 | K233 F235 C237 M242 Q246 H249 M250 H253 | K233-F244 CarbonylContact C-O 3.55Å; K233-F244 VanDerWaalsContact C-O 3.22Å; K233-F244 VanDerWaalsContact CA-O 3.27Å; K233-F244 WeakPolarHBondContact CA-O 3.31Å; F235-F244 HydrophobicContact CB-CB 4.48Å; F235-F244 PolarHBondContact N-O 3Å; F235-F244 VanDerWaalsContact N-O 3.1Å; F235-F244 PolarHBondContact O-N 3.32Å; C237-F244 HydrophobicContact CB-CE2 4.14Å; M242-F244 HydrophobicContact CB-CE2 3.8Å; M242-F244 HydrophobicContact CB-CZ 3.94Å; M242-F244 WeakPolarHBondContact O-CE2 3.39Å; F244-Q246 VanDerWaalsContact C-N 3.34Å; F244-H249 HydrophobicContact CB-CB 4.25Å; F244-H249 HydrophobicContact CD1-CB 4.19Å; F244-H249 HydrophobicContact CG-CB 4.47Å; F244-M250 HydrophobicContact CB-CB 4.13Å; F244-M250 HydrophobicContact CD2-CB 3.67Å; F244-M250 HydrophobicContact CD2-CG 3.98Å; F244-M250 HydrophobicContact CE2-CB 4.47Å; F244-M250 HydrophobicContact CG-CB 4.06Å; F244-H253 HydrophobicContact CE1-CB 4.14Å; F244-H253 HydrophobicContact CE2-CB 4.09Å; F244-H253 AromaticContact CE2-CD2 3.45Å; F244-H253 VanDerWaalsContact CE2-CD2 3.45Å; F244-H253 WeakPolarHBondContact CE2-CD2 3.07Å; F244-H253 AromaticContact CE2-CG 3.94Å; F244-H253 HydrophobicContact CZ-CB 3.64Å; F244-H253 AromaticContact CZ-CD2 3.28Å; F244-H253 WeakPolarHBondContact CZ-CD2 3.33Å; F244-H253 AromaticContact CZ-CG 3.41Å; F244-H253 VanDerWaalsContact CZ-CG 3.41Å; F244-H253 AromaticContact CZ-NE2 3.91Å |
| 245 | I | 92.1 | Very high | 91.6 | Very high | 38 Ų | 38 | 68.5 Ų | 68.5 | 20% | 0.195 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -76.9 | -23.4 | 179 | -56.7 | 179.8 | 0 | 0 | 0 | 111.5 | K227 I228 K233 F235 | K227-I245 HydrophobicContact CB-CG2 3.66Å; K227-I245 HydrophobicContact CD-CG2 4.32Å; I228-I245 HydrophobicContact CB-CD1 4.31Å; I228-I245 HydrophobicContact CG1-CD1 3.66Å; K233-I245 HydrophobicContact CG-CG1 3.85Å; F235-I245 WeakPolarHBondContact CE2-O 3.4Å |
| 246 | Q | 91.8 | Very high | 91.4 | Very high | 36 Ų | 36 | 69 Ų | 69 | 17% | 0.168 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -133.8 | 142.7 | -171.2 | -63.1 | 166.2 | 18.2 | 0 | 0 | 111.4 | R224 F244 Y248 H249 M250 | R224-Q246 HydrophobicContact CG-CG 4.29Å; F244-Q246 VanDerWaalsContact C-N 3.34Å; Q246-Y248 HydrophobicContact CB-CD1 4.34Å; Q246-Y248 HydrophobicContact CB-CE1 4.32Å; Q246-Y248 PolarHBondContact OE1-OH 3.34Å; Q246-H249 HydrophobicContact CB-CB 4.2Å; Q246-H249 WeakPolarHBondContact O-CB 3.34Å; Q246-H249 PolarHBondContact O-N 3.25Å; Q246-H249 PolarHBondContact OE1-CE1 3.42Å; Q246-H249 VanDerWaalsContact OE1-CE1 3.23Å; Q246-H249 PolarHBondContact OE1-ND1 3.24Å; Q246-M250 PolarHBondContact O-N 3.13Å |
| 247 | K | 91.2 | Very high | 91.1 | Very high | 78 Ų | 78 | 65.2 Ų | 65.2 | 34% | 0.339 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.3 | -54 | -177.6 | -179.9 | 175.6 | 160 | -167.7 | 0 | 112.5 | D59 F235 H249 M250 E251 | D59-K247 VanDerWaalsContact CG-NZ 3.34Å; D59-K247 IonicContact OD1-NZ 2.73Å; D59-K247 PolarHBondContact OD1-NZ 2.93Å; D59-K247 IonicContact OD2-NZ 3.33Å; D59-K247 PolarHBondContact OD2-NZ 2.83Å; D59-K247 VanDerWaalsContact OD2-NZ 3.13Å; F235-K247 HydrophobicContact CD1-CB 3.96Å; F235-K247 HydrophobicContact CD1-CG 4.47Å; F235-K247 VanDerWaalsContact CD2-N 3.34Å; F235-K247 HydrophobicContact CE1-CB 3.69Å; F235-K247 HydrophobicContact CE1-CD 4.5Å; F235-K247 HydrophobicContact CE1-CG 4.26Å; F235-K247 HydrophobicContact CE2-CB 4.29Å; F235-K247 HydrophobicContact CG-CB 4.38Å; F235-K247 HydrophobicContact CZ-CB 3.87Å; K247-H249 PolarHBondContact O-N 3.13Å; K247-M250 WeakPolarHBondContact O-CA 3.1Å; K247-M250 WeakPolarHBondContact O-CB 3.32Å; K247-M250 PolarHBondContact O-N 2.67Å; K247-E251 PolarHBondContact O-N 3.43Å |
| 248 | Y | 89.6 | Confident | 90.7 | Very high | 84 Ų | 84 | 68.2 Ų | 68.2 | 33% | 0.329 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.3 | -25.1 | 179 | 82.4 | -98.7 | 0 | 0 | 0 | 113.4 | Q246 R252 | Q246-Y248 HydrophobicContact CB-CD1 4.34Å; Q246-Y248 HydrophobicContact CB-CE1 4.32Å; Q246-Y248 PolarHBondContact OE1-OH 3.34Å; Y248-R252 WeakPolarHBondContact O-CB 3.27Å; Y248-R252 PolarHBondContact O-N 2.83Å |
| 249 | H | 91.4 | Very high | 90.4 | Very high | 57 Ų | 57 | 64.8 Ų | 64.8 | 26% | 0.264 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.4 | -40.9 | 172.2 | -86.5 | 45.1 | 0 | 0 | 0 | 111.5 | F244 Q246 K247 R252 H253 | F244-H249 HydrophobicContact CB-CB 4.25Å; F244-H249 HydrophobicContact CD1-CB 4.19Å; F244-H249 HydrophobicContact CG-CB 4.47Å; Q246-H249 HydrophobicContact CB-CB 4.2Å; Q246-H249 WeakPolarHBondContact O-CB 3.34Å; Q246-H249 PolarHBondContact O-N 3.25Å; Q246-H249 PolarHBondContact OE1-CE1 3.42Å; Q246-H249 VanDerWaalsContact OE1-CE1 3.23Å; Q246-H249 PolarHBondContact OE1-ND1 3.24Å; K247-H249 PolarHBondContact O-N 3.13Å; H249-R252 PolarHBondContact CD2-NH2 2.78Å; H249-R252 PolarHBondContact CE1-NH2 3.11Å; H249-R252 VanDerWaalsContact CE1-NH2 3.34Å; H249-R252 VanDerWaalsContact CG-NH2 3.29Å; H249-R252 PolarHBondContact ND1-NH2 3.27Å; H249-R252 PolarHBondContact NE2-NH2 3.38Å; H249-H253 WeakPolarHBondContact O-CB 3.39Å; H249-H253 PolarHBondContact O-N 3.1Å; H249-H253 VanDerWaalsContact O-N 3.11Å |
| 250 | M | 94.1 | Very high | 90.1 | Very high | 22 Ų | 22 | 64.1 Ų | 64.1 | 11% | 0.108 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -68.6 | -45.2 | 175.8 | 178.3 | -77.5 | -64.3 | 0 | 0 | 111.3 | F235 R236 C237 F244 Q246 K247 R252 H253 K254 | F235-M250 HydrophobicContact CB-CB 3.98Å; F235-M250 HydrophobicContact CB-CG 4.31Å; R236-M250 WeakPolarHBondContact O-CG 3.11Å; C237-M250 HydrophobicContact CB-CG 4.22Å; F244-M250 HydrophobicContact CB-CB 4.13Å; F244-M250 HydrophobicContact CD2-CB 3.67Å; F244-M250 HydrophobicContact CD2-CG 3.98Å; F244-M250 HydrophobicContact CE2-CB 4.47Å; F244-M250 HydrophobicContact CG-CB 4.06Å; Q246-M250 PolarHBondContact O-N 3.13Å; K247-M250 WeakPolarHBondContact O-CA 3.1Å; K247-M250 WeakPolarHBondContact O-CB 3.32Å; K247-M250 PolarHBondContact O-N 2.67Å; M250-R252 PolarHBondContact O-N 2.72Å; M250-H253 CarbonylContact O-C 3.54Å; M250-H253 WeakPolarHBondContact O-CA 3.49Å; M250-H253 WeakPolarHBondContact O-CB 3.4Å; M250-H253 PolarHBondContact O-N 3.41Å; M250-K254 PolarHBondContact O-N 3.44Å; M250-K254 HydrophobicContact SD-CD 3.77Å; M250-K254 VanDerWaalsContact SD-CE 3.53Å; M250-K254 HydrophobicContact SD-CG 3.96Å |
| 251 | E | 90.1 | Very high | 89.8 | Confident | 79 Ų | 79 | 67.3 Ų | 67.3 | 37% | 0.369 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.4 | -42.9 | 176.4 | -68.3 | 179 | -168.4 | 0 | 0 | 112.6 | K247 H253 K254 R255 | K247-E251 PolarHBondContact O-N 3.43Å; E251-H253 PolarHBondContact O-N 2.97Å; E251-K254 PolarHBondContact O-N 3.18Å; E251-K254 VanDerWaalsContact O-N 3.15Å; E251-R255 PolarHBondContact O-N 3.41Å |
| 252 | R | 89.6 | Confident | 89.6 | Confident | 70 Ų | 70 | 69.9 Ų | 69.9 | 26% | 0.264 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.3 | -24.1 | 172.8 | -175.4 | -177.8 | 66.1 | -165.4 | -5.1 | 112.2 | Y248 H249 M250 R274 | Y248-R252 WeakPolarHBondContact O-CB 3.27Å; Y248-R252 PolarHBondContact O-N 2.83Å; H249-R252 PolarHBondContact CD2-NH2 2.78Å; H249-R252 PolarHBondContact CE1-NH2 3.11Å; H249-R252 VanDerWaalsContact CE1-NH2 3.34Å; H249-R252 VanDerWaalsContact CG-NH2 3.29Å; H249-R252 PolarHBondContact ND1-NH2 3.27Å; H249-R252 PolarHBondContact NE2-NH2 3.38Å; M250-R252 PolarHBondContact O-N 2.72Å; R252-R274 HydrophobicContact CG-CG 4.22Å |
| 253 | H | 91.1 | Very high | 89.4 | Confident | 41 Ų | 41 | 70 Ų | 70 | 19% | 0.19 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -81.3 | -38.2 | 172 | 177.2 | 59.5 | 0 | 0 | 0 | 112.5 | C240 F244 H249 M250 E251 R255 T256 H257 | C240-H253 PolarHBondContact SG-NE2 3.29Å; F244-H253 HydrophobicContact CE1-CB 4.14Å; F244-H253 HydrophobicContact CE2-CB 4.09Å; F244-H253 AromaticContact CE2-CD2 3.45Å; F244-H253 VanDerWaalsContact CE2-CD2 3.45Å; F244-H253 WeakPolarHBondContact CE2-CD2 3.07Å; F244-H253 AromaticContact CE2-CG 3.94Å; F244-H253 HydrophobicContact CZ-CB 3.64Å; F244-H253 AromaticContact CZ-CD2 3.28Å; F244-H253 WeakPolarHBondContact CZ-CD2 3.33Å; F244-H253 AromaticContact CZ-CG 3.41Å; F244-H253 VanDerWaalsContact CZ-CG 3.41Å; F244-H253 AromaticContact CZ-NE2 3.91Å; H249-H253 WeakPolarHBondContact O-CB 3.39Å; H249-H253 PolarHBondContact O-N 3.1Å; H249-H253 VanDerWaalsContact O-N 3.11Å; M250-H253 CarbonylContact O-C 3.54Å; M250-H253 WeakPolarHBondContact O-CA 3.49Å; M250-H253 WeakPolarHBondContact O-CB 3.4Å; M250-H253 PolarHBondContact O-N 3.41Å; E251-H253 PolarHBondContact O-N 2.97Å; H253-R255 PolarHBondContact O-N 3.38Å; H253-T256 PolarHBondContact ND1-OG1 3.39Å; H253-T256 WeakPolarHBondContact O-CA 3.44Å; H253-T256 VanDerWaalsContact O-CB 3.32Å; H253-T256 WeakPolarHBondContact O-CB 3.38Å; H253-T256 PolarHBondContact O-N 3.07Å; H253-T256 PolarHBondContact O-OG1 3.12Å; H253-H257 AromaticContact CD2-NE2 3.91Å; H253-H257 AromaticContact CE1-CE1 3.98Å; H253-H257 AromaticContact CE1-NE2 3.8Å; H253-H257 AromaticContact NE2-CE1 3.89Å; H253-H257 AromaticContact NE2-NE2 3.37Å; H253-H257 PolarHBondContact NE2-NE2 2.86Å |
| 254 | K | 90 | Very high | 89.4 | Confident | 62 Ų | 62 | 66.6 Ų | 66.6 | 27% | 0.27 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -55 | -37.9 | 172.5 | -72 | -169.8 | 165.3 | 179.7 | 0 | 112.7 | D238 E239 M250 E251 T256 H257 S258 | D238-K254 WeakPolarHBondContact OD2-CE 3.37Å; D238-K254 IonicContact OD2-NZ 2.66Å; D238-K254 PolarHBondContact OD2-NZ 3.25Å; E239-K254 WeakPolarHBondContact OE1-CG 3.22Å; M250-K254 PolarHBondContact O-N 3.44Å; M250-K254 HydrophobicContact SD-CD 3.77Å; M250-K254 VanDerWaalsContact SD-CE 3.53Å; M250-K254 HydrophobicContact SD-CG 3.96Å; E251-K254 PolarHBondContact O-N 3.18Å; E251-K254 VanDerWaalsContact O-N 3.15Å; K254-T256 PolarHBondContact O-N 2.79Å; K254-H257 WeakPolarHBondContact O-CB 3.38Å; K254-H257 PolarHBondContact O-N 3.25Å; K254-S258 PolarHBondContact O-N 3.05Å; K254-S258 VanDerWaalsContact O-N 3.12Å |
| 255 | R | 89.3 | Confident | 89.4 | Confident | 68 Ų | 68 | 64.7 Ų | 64.7 | 26% | 0.257 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60 | -12.3 | 171.4 | -61.9 | -179.1 | -161.1 | 136.4 | 15.1 | 115 | E251 H253 G259 E260 | E251-R255 PolarHBondContact O-N 3.41Å; H253-R255 PolarHBondContact O-N 3.38Å; R255-G259 PolarHBondContact O-N 3.22Å; R255-E260 HydrophobicContact CB-CB 4.5Å; R255-E260 HydrophobicContact CG-CB 4.49Å |
| 256 | T | 88.3 | Confident | 89.3 | Confident | 82 Ų | 82 | 67.8 Ų | 67.8 | 50% | 0.503 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -85.3 | -19.5 | 172.1 | 70.6 | 0 | 0 | 0 | 0 | 113.2 | H253 K254 | H253-T256 PolarHBondContact ND1-OG1 3.39Å; H253-T256 WeakPolarHBondContact O-CA 3.44Å; H253-T256 VanDerWaalsContact O-CB 3.32Å; H253-T256 WeakPolarHBondContact O-CB 3.38Å; H253-T256 PolarHBondContact O-N 3.07Å; H253-T256 PolarHBondContact O-OG1 3.12Å; K254-T256 PolarHBondContact O-N 2.79Å |
| 257 | H | 87.9 | Confident | 89 | Confident | 77 Ų | 77 | 72.1 Ų | 72.1 | 36% | 0.356 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -88.8 | -49.2 | 172 | -57.4 | -49.1 | 0 | 0 | 0 | 111.4 | E239 C240 H253 K254 G259 | E239-H257 IonicContact OE1-CD2 3.7Å; E239-H257 WeakPolarHBondContact OE2-CB 3.44Å; E239-H257 IonicContact OE2-CD2 2.66Å; E239-H257 IonicContact OE2-CG 3.83Å; C240-H257 PolarHBondContact SG-NE2 2.9Å; H253-H257 AromaticContact CD2-NE2 3.91Å; H253-H257 AromaticContact CE1-CE1 3.98Å; H253-H257 AromaticContact CE1-NE2 3.8Å; H253-H257 AromaticContact NE2-CE1 3.89Å; H253-H257 AromaticContact NE2-NE2 3.37Å; H253-H257 PolarHBondContact NE2-NE2 2.86Å; K254-H257 WeakPolarHBondContact O-CB 3.38Å; K254-H257 PolarHBondContact O-N 3.25Å; H257-G259 PolarHBondContact O-N 3.18Å |
| 258 | S | 85.4 | Confident | 89 | Confident | 63 Ų | 63 | 70 Ų | 70 | 44% | 0.441 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -67.7 | -13.9 | 176.6 | 69.1 | 0 | 0 | 0 | 0 | 113.8 | K254 E260 | K254-S258 PolarHBondContact O-N 3.05Å; K254-S258 VanDerWaalsContact O-N 3.12Å; S258-E260 VanDerWaalsContact CB-OE1 3.27Å; S258-E260 WeakPolarHBondContact CB-OE1 3.31Å; S258-E260 PolarHBondContact O-N 3.2Å; S258-E260 WeakPolarHBondContact OG-CG 3.15Å; S258-E260 PolarHBondContact OG-OE1 3.37Å |
| 259 | G | 85.6 | Confident | 88.9 | Confident | 45 Ų | 45 | 71.8 Ų | 71.8 | 46% | 0.464 | 36% | 0.357 | S | S | . | . | | | trans | 69.9 | 7.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | R255 H257 K261 | R255-G259 PolarHBondContact O-N 3.22Å; H257-G259 PolarHBondContact O-N 3.18Å; G259-K261 PolarHBondContact O-N 2.82Å |
| 260 | E | 85.9 | Confident | 88.7 | Confident | 99 Ų | 99 | 73.1 Ų | 73.1 | 46% | 0.463 | 36% | 0.364 | S | S | . | . | | | trans | -55.6 | 130.3 | -177.2 | -81.8 | 165.7 | -119.6 | 0 | 0 | 112.9 | R255 S258 P262 S273 | R255-E260 HydrophobicContact CB-CB 4.5Å; R255-E260 HydrophobicContact CG-CB 4.49Å; S258-E260 VanDerWaalsContact CB-OE1 3.27Å; S258-E260 WeakPolarHBondContact CB-OE1 3.31Å; S258-E260 PolarHBondContact O-N 3.2Å; S258-E260 WeakPolarHBondContact OG-CG 3.15Å; S258-E260 PolarHBondContact OG-OE1 3.37Å; E260-P262 VanDerWaalsContact C-CD 3.48Å; E260-S273 WeakPolarHBondContact O-CA 3.19Å; E260-S273 WeakPolarHBondContact O-CB 3.37Å |
| 261 | K | 85.6 | Confident | 88.5 | Confident | 124 Ų | 124 | 78.6 Ų | 78.6 | 54% | 0.539 | 38% | 0.384 | S | S | . | . | | | trans | -127.6 | 65.3 | 178.6 | -67.5 | 166.8 | -176.3 | 175.3 | 0 | 111.3 | G259 Y263 F272 | G259-K261 PolarHBondContact O-N 2.82Å; K261-Y263 PolarHBondContact O-N 2.93Å; K261-F272 CarbonylContact C-O 3.3Å; K261-F272 VanDerWaalsContact C-O 3.28Å; K261-F272 VanDerWaalsContact CA-O 3.29Å; K261-F272 WeakPolarHBondContact CA-O 3.24Å |
| 262 | P | 85.9 | Confident | 88.4 | Confident | 79 Ų | 79 | 76.8 Ų | 76.8 | 51% | 0.513 | 38% | 0.375 | S | S | . | . | | | trans | -72 | -12.7 | -172 | 30.4 | -36 | 0 | 0 | 0 | 113.8 | E260 | E260-P262 VanDerWaalsContact C-CD 3.48Š|
| 263 | Y | 88.2 | Confident | 88.3 | Confident | 81 Ų | 81 | 75.2 Ų | 75.2 | 32% | 0.318 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 114.9 | -177.5 | -49 | -74.9 | 0 | 0 | 0 | 110.8 | K261 Y271 F272 T275 | K261-Y263 PolarHBondContact O-N 2.93Å; Y263-Y271 CarbonylContact O-C 3.53Å; Y263-F272 PolarHBondContact N-O 2.94Å; Y263-F272 PolarHBondContact O-N 3.44Å; Y263-T275 HydrophobicContact CD1-CG2 3.54Å; Y263-T275 HydrophobicContact CD2-CG2 4.36Å; Y263-T275 HydrophobicContact CE1-CG2 3.44Å; Y263-T275 VanDerWaalsContact CE1-CG2 3.44Å; Y263-T275 HydrophobicContact CE2-CG2 4.26Å; Y263-T275 HydrophobicContact CG-CG2 4.01Å |
| 264 | Q | 91.8 | Very high | 88.1 | Confident | 73 Ų | 73 | 76.8 Ų | 76.8 | 34% | 0.341 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 152.6 | 175.9 | -162.1 | 171.7 | 24 | 0 | 0 | 111 | H269 Q270 Y271 V278 | Q264-H269 WeakPolarHBondContact CG-O 3.48Å; Q264-H269 VanDerWaalsContact NE2-CB 3.31Å; Q264-H269 PolarHBondContact NE2-O 3.37Å; Q264-Q270 CarbonylContact C-O 3.28Å; Q264-Q270 WeakPolarHBondContact CA-O 3.29Å; Q264-Y271 HydrophobicContact CB-CD1 3.93Å; Q264-Y271 HydrophobicContact CB-CE1 3.89Å; Q264-Y271 HydrophobicContact CG-CD1 3.99Å; Q264-Y271 HydrophobicContact CG-CE1 3.78Å; Q264-Y271 HydrophobicContact CG-CG 4.46Å; Q264-Y271 PolarHBondContact NE2-OH 2.98Å; Q264-V278 WeakPolarHBondContact O-CG1 3.46Å |
| 265 | C | 91.9 | Very high | 88 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 39% | 0.388 | C | S | . | . | | | trans | -93.9 | 121.8 | 167.6 | -177.5 | 0 | 0 | 0 | 0 | 110.6 | Y267 C268 H269 Q270 F272 V278 | C265-Y267 PolarHBondContact O-N 3.12Å; C265-Y267 VanDerWaalsContact O-N 3.1Å; C265-C268 PolarHBondContact O-N 2.81Å; C265-C268 VanDerWaalsContact SG-SG 3.7Å; C265-H269 VanDerWaalsContact O-CA 3.3Å; C265-H269 WeakPolarHBondContact O-CA 3.46Å; C265-H269 PolarHBondContact O-N 3.23Å; C265-Q270 PolarHBondContact N-O 2.84Å; C265-F272 HydrophobicContact CB-CE2 4.06Å; C265-V278 HydrophobicContact CB-CG1 3.94Å |
| 266 | D | 90.3 | Very high | 88 | Confident | 103 Ų | 103 | 75.7 Ų | 75.7 | 55% | 0.551 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -31.7 | -172.3 | -33.8 | -66.8 | 0 | 0 | 0 | 113.5 | H269 R282 | D266-H269 PolarHBondContact O-CE1 3.35Å; D266-R282 IonicContact OD2-NH1 2.69Å |
| 267 | Y | 86.9 | Confident | 88 | Confident | 127 Ų | 127 | 78.3 Ų | 78.3 | 50% | 0.498 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -15 | -170.1 | -67.5 | -110.2 | 0 | 0 | 0 | 115 | C265 R282 H286 | C265-Y267 PolarHBondContact O-N 3.12Å; C265-Y267 VanDerWaalsContact O-N 3.1Å; Y267-R282 HydrophobicContact CD2-CG 4.19Å; Y267-R282 HydrophobicContact CE2-CG 4.05Å; Y267-H286 VanDerWaalsContact CB-CE1 3.44Å; Y267-H286 WeakPolarHBondContact CB-CE1 3.38Å; Y267-H286 WeakPolarHBondContact CB-ND1 3.27Å; Y267-H286 HydrophobicContact CD1-CB 4.03Å; Y267-H286 HydrophobicContact CG-CB 4.25Å; Y267-H286 AromaticContact CG-CG 3.95Å |
| 268 | C | 89.7 | Confident | 88.2 | Confident | 34 Ų | 34 | 75.2 Ų | 75.2 | 23% | 0.23 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -145.6 | 3 | -174.7 | 68 | 0 | 0 | 0 | 0 | 113.8 | C265 Q270 H281 | C265-C268 PolarHBondContact O-N 2.81Å; C265-C268 VanDerWaalsContact SG-SG 3.7Å; C268-Q270 PolarHBondContact O-N 3.35Å; C268-H281 PolarHBondContact SG-NE2 3.1Å |
| 269 | H | 87.6 | Confident | 88.5 | Confident | 121 Ų | 121 | 76.1 Ų | 76.1 | 56% | 0.56 | 37% | 0.371 | S | S | * | . | | | trans | 56.3 | 11.9 | 178.1 | -58.6 | -55.6 | 0 | 0 | 0 | 115.9 | Q264 C265 D266 Y271 | Q264-H269 WeakPolarHBondContact CG-O 3.48Å; Q264-H269 VanDerWaalsContact NE2-CB 3.31Å; Q264-H269 PolarHBondContact NE2-O 3.37Å; C265-H269 VanDerWaalsContact O-CA 3.3Å; C265-H269 WeakPolarHBondContact O-CA 3.46Å; C265-H269 PolarHBondContact O-N 3.23Å; D266-H269 PolarHBondContact O-CE1 3.35Å; H269-Y271 WeakPolarHBondContact O-CD2 3.27Å; H269-Y271 WeakPolarHBondContact O-CE2 3.37Å |
| 270 | Q | 87.8 | Confident | 88.6 | Confident | 86 Ų | 86 | 79.1 Ų | 79.1 | 40% | 0.402 | 37% | 0.371 | S | S | . | . | | | trans | -70.6 | 139.7 | 174.8 | -69.1 | -169.2 | 1.6 | 0 | 0 | 111.5 | Q264 C265 C268 F272 H281 | Q264-Q270 CarbonylContact C-O 3.28Å; Q264-Q270 WeakPolarHBondContact CA-O 3.29Å; C265-Q270 PolarHBondContact N-O 2.84Å; C268-Q270 PolarHBondContact O-N 3.35Å; Q270-F272 HydrophobicContact CB-CE2 3.65Å; Q270-F272 HydrophobicContact CB-CZ 3.97Å; Q270-F272 WeakPolarHBondContact O-CD2 3.47Å; Q270-F272 WeakPolarHBondContact O-CE2 3.34Å; Q270-H281 PolarHBondContact OE1-CE1 3.33Å |
| 271 | Y | 89.8 | Confident | 88.8 | Confident | 137 Ų | 137 | 75.7 Ų | 75.7 | 54% | 0.537 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 138.7 | -177.3 | -64.2 | -87.9 | 0 | 0 | 0 | 112.1 | Y263 Q264 H269 | Y263-Y271 CarbonylContact O-C 3.53Å; Q264-Y271 HydrophobicContact CB-CD1 3.93Å; Q264-Y271 HydrophobicContact CB-CE1 3.89Å; Q264-Y271 HydrophobicContact CG-CD1 3.99Å; Q264-Y271 HydrophobicContact CG-CE1 3.78Å; Q264-Y271 HydrophobicContact CG-CG 4.46Å; Q264-Y271 PolarHBondContact NE2-OH 2.98Å; H269-Y271 WeakPolarHBondContact O-CD2 3.27Å; H269-Y271 WeakPolarHBondContact O-CE2 3.37Å |
| 272 | F | 88.3 | Confident | 89 | Confident | 41 Ų | 41 | 73.8 Ų | 73.8 | 18% | 0.18 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 149.1 | -177.2 | -58.9 | -95.2 | 0 | 0 | 0 | 111.3 | K261 Y263 C265 Q270 R274 R277 V278 H281 | K261-F272 CarbonylContact C-O 3.3Å; K261-F272 VanDerWaalsContact C-O 3.28Å; K261-F272 VanDerWaalsContact CA-O 3.29Å; K261-F272 WeakPolarHBondContact CA-O 3.24Å; Y263-F272 PolarHBondContact N-O 2.94Å; Y263-F272 PolarHBondContact O-N 3.44Å; C265-F272 HydrophobicContact CB-CE2 4.06Å; Q270-F272 HydrophobicContact CB-CE2 3.65Å; Q270-F272 HydrophobicContact CB-CZ 3.97Å; Q270-F272 WeakPolarHBondContact O-CD2 3.47Å; Q270-F272 WeakPolarHBondContact O-CE2 3.34Å; F272-R274 VanDerWaalsContact C-N 3.27Å; F272-R274 PolarHBondContact O-N 2.96Å; F272-R277 HydrophobicContact CB-CB 4.21Å; F272-R277 HydrophobicContact CD1-CB 3.92Å; F272-R277 HydrophobicContact CG-CB 4.34Å; F272-V278 HydrophobicContact CB-CG2 3.86Å; F272-V278 HydrophobicContact CD2-CG2 3.74Å; F272-V278 HydrophobicContact CG-CG2 4.05Å; F272-H281 HydrophobicContact CE1-CB 4.25Å; F272-H281 HydrophobicContact CE2-CB 4.35Å; F272-H281 HydrophobicContact CZ-CB 3.81Å; F272-H281 AromaticContact CZ-CG 3.6Å; F272-H281 AromaticContact CZ-ND1 3.52Å |
| 273 | S | 87.4 | Confident | 89.2 | Confident | 36 Ų | 36 | 76.1 Ų | 76.1 | 25% | 0.252 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -77.9 | -6.7 | 179.2 | 55.5 | 0 | 0 | 0 | 0 | 114.6 | E260 | E260-S273 WeakPolarHBondContact O-CA 3.19Å; E260-S273 WeakPolarHBondContact O-CB 3.37Å |
| 274 | R | 86.3 | Confident | 89.2 | Confident | 74 Ų | 74 | 78.5 Ų | 78.5 | 28% | 0.279 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -148 | 137.9 | -174.6 | -67.8 | 165.7 | 50.2 | 134.8 | 2.4 | 111.8 | R252 F272 D276 R277 V278 | R252-R274 HydrophobicContact CG-CG 4.22Å; F272-R274 VanDerWaalsContact C-N 3.27Å; F272-R274 PolarHBondContact O-N 2.96Å; R274-D276 WeakPolarHBondContact CB-OD1 3.43Å; R274-D276 IonicContact CZ-OD1 3.67Å; R274-D276 IonicContact NE-OD1 3.29Å; R274-D276 PolarHBondContact NE-OD1 3.43Å; R274-D276 VanDerWaalsContact NH2-CG 3.28Å; R274-D276 IonicContact NH2-OD1 3.21Å; R274-D276 PolarHBondContact NH2-OD1 3.41Å; R274-D276 IonicContact NH2-OD2 2.81Å; R274-D276 PolarHBondContact NH2-OD2 2.8Å; R274-D276 PolarHBondContact O-N 3.06Å; R274-R277 HydrophobicContact CB-CG 4.01Å; R274-R277 WeakPolarHBondContact O-CB 3.39Å; R274-R277 PolarHBondContact O-N 2.77Å; R274-R277 VanDerWaalsContact O-N 3.12Å; R274-V278 PolarHBondContact O-N 3.39Å |
| 275 | T | 88.4 | Confident | 88.9 | Confident | 76 Ų | 76 | 77.4 Ų | 77.4 | 47% | 0.466 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -53.6 | -46.5 | 173.8 | 48.1 | 0 | 0 | 0 | 0 | 112.8 | Y263 R277 V278 L279 | Y263-T275 HydrophobicContact CD1-CG2 3.54Å; Y263-T275 HydrophobicContact CD2-CG2 4.36Å; Y263-T275 HydrophobicContact CE1-CG2 3.44Å; Y263-T275 VanDerWaalsContact CE1-CG2 3.44Å; Y263-T275 HydrophobicContact CE2-CG2 4.26Å; Y263-T275 HydrophobicContact CG-CG2 4.01Å; T275-R277 PolarHBondContact O-N 3.17Å; T275-V278 WeakPolarHBondContact O-CA 3.41Å; T275-V278 WeakPolarHBondContact O-CB 3.28Å; T275-V278 PolarHBondContact O-N 3.01Å; T275-L279 PolarHBondContact O-N 3.4Å |
| 276 | D | 89 | Confident | 88.5 | Confident | 31 Ų | 31 | 78.5 Ų | 78.5 | 17% | 0.166 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.5 | -24 | -179.2 | 87.7 | -69 | 0 | 0 | 0 | 113.1 | R274 K280 | R274-D276 WeakPolarHBondContact CB-OD1 3.43Å; R274-D276 IonicContact CZ-OD1 3.67Å; R274-D276 IonicContact NE-OD1 3.29Å; R274-D276 PolarHBondContact NE-OD1 3.43Å; R274-D276 VanDerWaalsContact NH2-CG 3.28Å; R274-D276 IonicContact NH2-OD1 3.21Å; R274-D276 PolarHBondContact NH2-OD1 3.41Å; R274-D276 IonicContact NH2-OD2 2.81Å; R274-D276 PolarHBondContact NH2-OD2 2.8Å; R274-D276 PolarHBondContact O-N 3.06Å; D276-K280 VanDerWaalsContact O-CB 3.31Å; D276-K280 WeakPolarHBondContact O-CB 3.4Å; D276-K280 WeakPolarHBondContact O-CD 3.48Å; D276-K280 WeakPolarHBondContact O-CG 3.42Å; D276-K280 PolarHBondContact O-N 3.04Å; D276-K280 VanDerWaalsContact O-N 3.1Å; D276-K280 IonicContact OD2-NZ 3.13Å; D276-K280 PolarHBondContact OD2-NZ 2.9Å |
| 277 | R | 89.7 | Confident | 88 | Confident | 138 Ų | 138 | 76.3 Ų | 76.3 | 52% | 0.521 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -79.9 | -37.3 | 174.7 | -59.2 | -58.3 | -174.8 | 151.7 | 4.3 | 111.9 | F272 R274 T275 H281 | F272-R277 HydrophobicContact CB-CB 4.21Å; F272-R277 HydrophobicContact CD1-CB 3.92Å; F272-R277 HydrophobicContact CG-CB 4.34Å; R274-R277 HydrophobicContact CB-CG 4.01Å; R274-R277 WeakPolarHBondContact O-CB 3.39Å; R274-R277 PolarHBondContact O-N 2.77Å; R274-R277 VanDerWaalsContact O-N 3.12Å; T275-R277 PolarHBondContact O-N 3.17Å; R277-H281 VanDerWaalsContact O-CB 3.24Å; R277-H281 WeakPolarHBondContact O-CB 3.42Å; R277-H281 PolarHBondContact O-N 3.11Å |
| 278 | V | 91.6 | Very high | 87.3 | Confident | 12 Ų | 12 | 73.5 Ų | 73.5 | 7% | 0.073 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.1 | -49.8 | 169.1 | -176 | 0 | 0 | 0 | 0 | 110.3 | Q264 C265 F272 R274 T275 K280 H281 R282 | Q264-V278 WeakPolarHBondContact O-CG1 3.46Å; C265-V278 HydrophobicContact CB-CG1 3.94Å; F272-V278 HydrophobicContact CB-CG2 3.86Å; F272-V278 HydrophobicContact CD2-CG2 3.74Å; F272-V278 HydrophobicContact CG-CG2 4.05Å; R274-V278 PolarHBondContact O-N 3.39Å; T275-V278 WeakPolarHBondContact O-CA 3.41Å; T275-V278 WeakPolarHBondContact O-CB 3.28Å; T275-V278 PolarHBondContact O-N 3.01Å; V278-K280 PolarHBondContact O-N 2.92Å; V278-H281 WeakPolarHBondContact O-CB 3.39Å; V278-H281 PolarHBondContact O-N 2.83Å; V278-R282 WeakPolarHBondContact O-CB 3.5Å; V278-R282 PolarHBondContact O-N 3Å |
| 279 | L | 90.2 | Very high | 86.1 | Confident | 82 Ų | 82 | 78.2 Ų | 78.2 | 43% | 0.429 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63 | -42.9 | -178.2 | -65.4 | 175.6 | 0 | 0 | 0 | 112.1 | T275 R282 R283 | T275-L279 PolarHBondContact O-N 3.4Å; L279-R282 PolarHBondContact O-N 3.25Å; L279-R283 WeakPolarHBondContact O-CB 3.37Å; L279-R283 PolarHBondContact O-N 3.02Å |
| 280 | K | 89.5 | Confident | 84.8 | Confident | 107 Ų | 107 | 76.3 Ų | 76.3 | 47% | 0.465 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.4 | -37.8 | 174.9 | -71.7 | 162.7 | -164.6 | 164.8 | 0 | 111.8 | D276 V278 M284 | D276-K280 VanDerWaalsContact O-CB 3.31Å; D276-K280 WeakPolarHBondContact O-CB 3.4Å; D276-K280 WeakPolarHBondContact O-CD 3.48Å; D276-K280 WeakPolarHBondContact O-CG 3.42Å; D276-K280 PolarHBondContact O-N 3.04Å; D276-K280 VanDerWaalsContact O-N 3.1Å; D276-K280 IonicContact OD2-NZ 3.13Å; D276-K280 PolarHBondContact OD2-NZ 2.9Å; V278-K280 PolarHBondContact O-N 2.92Å; K280-M284 WeakPolarHBondContact O-CB 3.33Å; K280-M284 WeakPolarHBondContact O-CE 3.48Å; K280-M284 VanDerWaalsContact O-CG 3.27Å; K280-M284 WeakPolarHBondContact O-CG 3.47Å; K280-M284 PolarHBondContact O-N 3.46Å |
| 281 | H | 90.2 | Very high | 83.6 | Confident | 27 Ų | 27 | 79.6 Ų | 79.6 | 13% | 0.125 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.2 | -49.7 | 172.6 | -178.6 | 97.2 | 0 | 0 | 0 | 111.6 | C268 Q270 F272 R277 V278 R283 M284 C285 H286 | C268-H281 PolarHBondContact SG-NE2 3.1Å; Q270-H281 PolarHBondContact OE1-CE1 3.33Å; F272-H281 HydrophobicContact CE1-CB 4.25Å; F272-H281 HydrophobicContact CE2-CB 4.35Å; F272-H281 HydrophobicContact CZ-CB 3.81Å; F272-H281 AromaticContact CZ-CG 3.6Å; F272-H281 AromaticContact CZ-ND1 3.52Å; R277-H281 VanDerWaalsContact O-CB 3.24Å; R277-H281 WeakPolarHBondContact O-CB 3.42Å; R277-H281 PolarHBondContact O-N 3.11Å; V278-H281 WeakPolarHBondContact O-CB 3.39Å; V278-H281 PolarHBondContact O-N 2.83Å; H281-R283 PolarHBondContact O-N 3.05Å; H281-M284 PolarHBondContact O-N 3.01Å; H281-C285 VanDerWaalsContact O-CB 3.28Å; H281-C285 WeakPolarHBondContact O-CB 3.49Å; H281-C285 PolarHBondContact O-N 2.73Å; H281-H286 AromaticContact NE2-NE2 3.69Å |
| 282 | R | 89.7 | Confident | 82.1 | Confident | 85 Ų | 85 | 80.5 Ų | 80.5 | 32% | 0.321 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -55.2 | -51 | 177.3 | -172.4 | 171.9 | 73.3 | -165.6 | 8.9 | 111.6 | D266 Y267 V278 L279 M284 H286 E287 | D266-R282 IonicContact OD2-NH1 2.69Å; Y267-R282 HydrophobicContact CD2-CG 4.19Å; Y267-R282 HydrophobicContact CE2-CG 4.05Å; V278-R282 WeakPolarHBondContact O-CB 3.5Å; V278-R282 PolarHBondContact O-N 3Å; L279-R282 PolarHBondContact O-N 3.25Å; R282-M284 PolarHBondContact O-N 3.24Å; R282-H286 PolarHBondContact O-N 3.16Å; R282-H286 VanDerWaalsContact O-N 3.11Å; R282-E287 PolarHBondContact O-N 3.19Å |
| 283 | R | 89.2 | Confident | 80.7 | Confident | 128 Ų | 128 | 82 Ų | 82 | 48% | 0.483 | 38% | 0.376 | S | S | . | . | I | π-helix | trans | -60.2 | -40.6 | 178.6 | -166.7 | -179.8 | -68.1 | 172.1 | 2.8 | 112.1 | L279 H281 E287 N288 | L279-R283 WeakPolarHBondContact O-CB 3.37Å; L279-R283 PolarHBondContact O-N 3.02Å; H281-R283 PolarHBondContact O-N 3.05Å; R283-E287 WeakPolarHBondContact CG-OE2 3.47Å; R283-N288 WeakPolarHBondContact O-CB 3.3Å; R283-N288 PolarHBondContact O-N 2.89Å; R283-N288 VanDerWaalsContact O-N 3.17Å; R283-N288 PolarHBondContact O-ND2 2.98Å |
| 284 | M | 87.6 | Confident | 79.4 | Confident | 130 Ų | 130 | 85.3 Ų | 85.3 | 64% | 0.64 | 39% | 0.391 | S | S | * | . | I | π-helix | trans | -84 | -39 | -176.9 | -68.8 | -171 | -56.6 | 0 | 0 | 114.8 | K280 H281 R282 | K280-M284 WeakPolarHBondContact O-CB 3.33Å; K280-M284 WeakPolarHBondContact O-CE 3.48Å; K280-M284 VanDerWaalsContact O-CG 3.27Å; K280-M284 WeakPolarHBondContact O-CG 3.47Å; K280-M284 PolarHBondContact O-N 3.46Å; H281-M284 PolarHBondContact O-N 3.01Å; R282-M284 PolarHBondContact O-N 3.24Å |
| 285 | C | 85.4 | Confident | 78 | Confident | 50 Ų | 50 | 90.3 Ų | 90.3 | 34% | 0.338 | 41% | 0.414 | S | S | . | . | I | π-helix | trans | -96.8 | -29.2 | -169 | -62.3 | 0 | 0 | 0 | 0 | 114 | H281 R289 | H281-C285 VanDerWaalsContact O-CB 3.28Å; H281-C285 WeakPolarHBondContact O-CB 3.49Å; H281-C285 PolarHBondContact O-N 2.73Å; C285-R289 WeakPolarHBondContact O-CB 3.41Å |
| 286 | H | 84.8 | Confident | 76.4 | Confident | 23 Ų | 23 | 91.6 Ų | 91.6 | 11% | 0.106 | 42% | 0.422 | C | S | . | . | I | π-helix | trans | -112.5 | -61.9 | -175 | -61.8 | -75.7 | 0 | 0 | 0 | 111.1 | Y267 H281 R282 N288 R289 E290 | Y267-H286 VanDerWaalsContact CB-CE1 3.44Å; Y267-H286 WeakPolarHBondContact CB-CE1 3.38Å; Y267-H286 WeakPolarHBondContact CB-ND1 3.27Å; Y267-H286 HydrophobicContact CD1-CB 4.03Å; Y267-H286 HydrophobicContact CG-CB 4.25Å; Y267-H286 AromaticContact CG-CG 3.95Å; H281-H286 AromaticContact NE2-NE2 3.69Å; R282-H286 PolarHBondContact O-N 3.16Å; R282-H286 VanDerWaalsContact O-N 3.11Å; H286-N288 PolarHBondContact O-N 3.1Å; H286-R289 WeakPolarHBondContact O-CA 3.34Å; H286-R289 VanDerWaalsContact O-CB 3.27Å; H286-R289 WeakPolarHBondContact O-CB 3.32Å; H286-R289 PolarHBondContact O-N 3.33Å; H286-E290 WeakPolarHBondContact O-CG 3.49Å; H286-E290 PolarHBondContact O-N 3.43Å |
| 287 | E | 79.6 | Confident | 74.9 | Confident | 57 Ų | 57 | 93.3 Ų | 93.3 | 27% | 0.266 | 44% | 0.441 | S | S | . | . | I | π-helix | trans | -61.7 | -46.1 | -176.2 | -163.8 | -161.9 | 143.2 | 0 | 0 | 112.4 | R282 R283 R289 E290 R291 | R282-E287 PolarHBondContact O-N 3.19Å; R283-E287 WeakPolarHBondContact CG-OE2 3.47Å; E287-R289 PolarHBondContact O-N 2.67Å; E287-E290 PolarHBondContact O-N 3.13Å; E287-R291 WeakPolarHBondContact O-CG 3.44Å; E287-R291 PolarHBondContact O-N 3.45Å; E287-R291 IonicContact OE1-CZ 3.34Å; E287-R291 IonicContact OE1-NE 3.73Å; E287-R291 PolarHBondContact OE1-NE 2.97Å; E287-R291 IonicContact OE1-NH2 3.71Å; E287-R291 PolarHBondContact OE1-NH2 2.78Å |
| 288 | N | 71.7 | Confident | 73.2 | Confident | 69 Ų | 69 | 90.2 Ų | 90.2 | 37% | 0.369 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -71.9 | -6.5 | 173.9 | -88.6 | -60 | 0 | 0 | 0 | 114.5 | R283 H286 K292 | R283-N288 WeakPolarHBondContact O-CB 3.3Å; R283-N288 PolarHBondContact O-N 2.89Å; R283-N288 VanDerWaalsContact O-N 3.17Å; R283-N288 PolarHBondContact O-ND2 2.98Å; H286-N288 PolarHBondContact O-N 3.1Å; N288-K292 WeakPolarHBondContact O-CD 3.26Å; N288-K292 WeakPolarHBondContact O-CG 3.45Å |
| 289 | R | 64 | Low | 71.3 | Confident | 132 Ų | 132 | 98.7 Ų | 98.7 | 50% | 0.498 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -91.5 | -43.3 | 172.1 | -176.6 | 178.3 | 178.1 | 169.3 | -2.3 | 110.5 | C285 H286 E287 K292 T293 | C285-R289 WeakPolarHBondContact O-CB 3.41Å; H286-R289 WeakPolarHBondContact O-CA 3.34Å; H286-R289 VanDerWaalsContact O-CB 3.27Å; H286-R289 WeakPolarHBondContact O-CB 3.32Å; H286-R289 PolarHBondContact O-N 3.33Å; E287-R289 PolarHBondContact O-N 2.67Å; R289-K292 WeakPolarHBondContact O-CA 3.4Å; R289-K292 WeakPolarHBondContact O-CB 3.38Å; R289-K292 PolarHBondContact O-N 2.81Å; R289-T293 PolarHBondContact O-N 3.32Å; R289-T293 PolarHBondContact O-OG1 2.69Å |
| 290 | E | 61 | Low | 69.5 | Low | 81 Ų | 81 | 101.6 Ų | 101.6 | 38% | 0.379 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.4 | -46.6 | 171.4 | -69 | 156.4 | -168.3 | 0 | 0 | 111.2 | H286 E287 K292 T293 N294 | H286-E290 WeakPolarHBondContact O-CG 3.49Å; H286-E290 PolarHBondContact O-N 3.43Å; E287-E290 PolarHBondContact O-N 3.13Å; E290-K292 PolarHBondContact O-N 3.46Å; E290-T293 WeakPolarHBondContact CA-OG1 3.48Å; E290-T293 PolarHBondContact O-N 2.86Å; E290-T293 PolarHBondContact O-OG1 2.95Å; E290-N294 WeakPolarHBondContact O-CB 3.41Å; E290-N294 PolarHBondContact O-N 2.88Å; E290-N294 PolarHBondContact O-OD1 2.66Å; E290-N294 VanDerWaalsContact O-OD1 3.1Å |
| 291 | R | 61.5 | Low | 67.3 | Low | 156 Ų | 156 | 99.1 Ų | 99.1 | 59% | 0.589 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -57.9 | -22.6 | 173.4 | -69 | 174.8 | -173.2 | -134.2 | 4.5 | 113.5 | E287 K295 | E287-R291 WeakPolarHBondContact O-CG 3.44Å; E287-R291 PolarHBondContact O-N 3.45Å; E287-R291 IonicContact OE1-CZ 3.34Å; E287-R291 IonicContact OE1-NE 3.73Å; E287-R291 PolarHBondContact OE1-NE 2.97Å; E287-R291 IonicContact OE1-NH2 3.71Å; E287-R291 PolarHBondContact OE1-NH2 2.78Å; R291-K295 WeakPolarHBondContact O-CB 3.36Å |
| 292 | K | 58.6 | Low | 65.4 | Low | 156 Ų | 156 | 104.6 Ų | 104.6 | 68% | 0.678 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -86.8 | -45.4 | 175.2 | -72.5 | 174.3 | -177.9 | 175.9 | 0 | 112.4 | N288 R289 E290 N294 K295 T296 | N288-K292 WeakPolarHBondContact O-CD 3.26Å; N288-K292 WeakPolarHBondContact O-CG 3.45Å; R289-K292 WeakPolarHBondContact O-CA 3.4Å; R289-K292 WeakPolarHBondContact O-CB 3.38Å; R289-K292 PolarHBondContact O-N 2.81Å; E290-K292 PolarHBondContact O-N 3.46Å; K292-N294 VanDerWaalsContact C-N 3.29Å; K292-N294 PolarHBondContact O-N 3.07Å; K292-K295 PolarHBondContact O-N 3.04Å; K292-T296 PolarHBondContact O-N 3.45Å; K292-T296 VanDerWaalsContact O-N 3.16Å; K292-T296 PolarHBondContact O-OG1 3.1Å |
| 293 | T | 60.1 | Low | 62.9 | Low | 73 Ų | 73 | 108.3 Ų | 108.3 | 45% | 0.448 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -61.1 | -40.7 | 176.4 | 48.5 | 0 | 0 | 0 | 0 | 111.4 | R289 E290 K295 T296 A297 | R289-T293 PolarHBondContact O-N 3.32Å; R289-T293 PolarHBondContact O-OG1 2.69Å; E290-T293 WeakPolarHBondContact CA-OG1 3.48Å; E290-T293 PolarHBondContact O-N 2.86Å; E290-T293 PolarHBondContact O-OG1 2.95Å; T293-K295 VanDerWaalsContact C-N 3.34Å; T293-K295 PolarHBondContact O-N 3.34Å; T293-T296 WeakPolarHBondContact CA-OG1 3.36Å; T293-T296 PolarHBondContact O-N 3.43Å; T293-T296 PolarHBondContact O-OG1 2.93Å; T293-A297 PolarHBondContact O-N 2.96Å |
| 294 | N | 58.5 | Low | 60.7 | Low | 105 Ų | 105 | 110 Ų | 110 | 56% | 0.561 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -73.4 | -31 | -176.6 | -58.1 | 7.7 | 0 | 0 | 0 | 110.9 | E290 K292 T296 A297 G298 | E290-N294 WeakPolarHBondContact O-CB 3.41Å; E290-N294 PolarHBondContact O-N 2.88Å; E290-N294 PolarHBondContact O-OD1 2.66Å; E290-N294 VanDerWaalsContact O-OD1 3.1Å; K292-N294 VanDerWaalsContact C-N 3.29Å; K292-N294 PolarHBondContact O-N 3.07Å; N294-T296 VanDerWaalsContact C-N 3.34Å; N294-A297 PolarHBondContact O-N 3.22Å; N294-G298 PolarHBondContact O-N 2.97Å |
| 295 | K | 58.2 | Low | 58.4 | Low | 178 Ų | 178 | 110.7 Ų | 110.7 | 77% | 0.774 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -72.5 | -22.2 | 172.3 | -171.3 | 163.2 | -176.1 | 167.1 | 0 | 113.6 | R291 K292 T293 | R291-K295 WeakPolarHBondContact O-CB 3.36Å; K292-K295 PolarHBondContact O-N 3.04Å; T293-K295 VanDerWaalsContact C-N 3.34Å; T293-K295 PolarHBondContact O-N 3.34Å |
| 296 | T | 55.2 | Low | 56.2 | Low | 104 Ų | 104 | 114.7 Ų | 114.7 | 64% | 0.638 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -81.4 | -32.7 | 167 | 39 | 0 | 0 | 0 | 0 | 113.1 | K292 T293 N294 | K292-T296 PolarHBondContact O-N 3.45Å; K292-T296 VanDerWaalsContact O-N 3.16Å; K292-T296 PolarHBondContact O-OG1 3.1Å; T293-T296 WeakPolarHBondContact CA-OG1 3.36Å; T293-T296 PolarHBondContact O-N 3.43Å; T293-T296 PolarHBondContact O-OG1 2.93Å; N294-T296 VanDerWaalsContact C-N 3.34Å |
| 297 | A | 56.6 | Low | 54.1 | Low | 67 Ų | 67 | 121.2 Ų | 121.2 | 55% | 0.554 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -67.9 | -46.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | T293 N294 K299 I300 | T293-A297 PolarHBondContact O-N 2.96Å; N294-A297 PolarHBondContact O-N 3.22Å; A297-K299 PolarHBondContact O-N 3.32Å; A297-I300 PolarHBondContact O-N 2.99Å |
| 298 | G | 53.6 | Low | 52.1 | Low | 72 Ų | 72 | 124.5 Ų | 124.5 | 74% | 0.742 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | 24.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | N294 | N294-G298 PolarHBondContact O-N 2.97Š|
| 299 | K | 53.4 | Low | 50.8 | Low | 191 Ų | 191 | 127.4 Ų | 127.4 | 83% | 0.83 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.4 | 9.6 | 173.2 | -146.1 | -173.3 | 179.1 | -174.8 | 0 | 113.6 | A297 | A297-K299 PolarHBondContact O-N 3.32Š|
| 300 | I | 50.6 | Low | 49.2 | Very low | 143 Ų | 143 | 124.5 Ų | 124.5 | 73% | 0.733 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -111.9 | 121.7 | 167.6 | -56.6 | 179.2 | 0 | 0 | 0 | 106.4 | A297 | A297-I300 PolarHBondContact O-N 2.99Š|
| 301 | G | 44.4 | Very low | 48.3 | Very low | 54 Ų | 54 | 125.7 Ų | 125.7 | 56% | 0.557 | 73% | 0.731 | S | S | * | * | | | trans | -73.7 | 168.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L303 | G301-L303 PolarHBondContact O-N 3.19Š|
| 302 | P | 49.1 | Very low | 47.5 | Very low | 142 Ų | 142 | 123.1 Ų | 123.1 | 92% | 0.922 | 73% | 0.734 | S | S | * | * | | | trans | -61.1 | 124.3 | -177.2 | -20.4 | 32.4 | 0 | 0 | 0 | 111.4 | | |
| 303 | L | 38.1 | Very low | 46.4 | Very low | 163 Ų | 163 | 125.1 Ų | 125.1 | 85% | 0.853 | 74% | 0.744 | S | S | * | * | | | trans | -136.9 | 104 | 168.6 | -169.8 | 69.7 | 0 | 0 | 0 | 109.8 | G301 | G301-L303 PolarHBondContact O-N 3.19Š|
| 304 | H | 42.7 | Very low | 45.1 | Very low | 165 Ų | 165 | 127.7 Ų | 127.7 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | | | trans | 20.9 | 129.4 | 156.3 | -149.9 | -69.2 | 0 | 0 | 0 | 120 | | |
| 305 | D | 39.2 | Very low | 44.1 | Very low | 144 Ų | 144 | 128.8 Ų | 128.8 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | | | trans | -61.8 | 140.7 | 173.9 | -47.4 | -93.5 | 0 | 0 | 0 | 113.7 | | |
| 306 | T | 38.9 | Very low | 43 | Very low | 134 Ų | 134 | 127.6 Ų | 127.6 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | | | trans | -150.7 | 138.2 | 145.9 | 49.9 | 0 | 0 | 0 | 0 | 108.7 | | |
| 307 | D | 41.8 | Very low | 42 | Very low | 159 Ų | 159 | 131 Ų | 131 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | | | trans | -68.3 | 143.1 | -173.4 | -53.9 | -91.7 | 0 | 0 | 0 | 114.8 | | |
| 308 | S | 37.2 | Very low | 40.7 | Very low | 127 Ų | 127 | 131.4 Ų | 131.4 | 89% | 0.888 | 77% | 0.771 | S | S | * | * | | | trans | -162 | 146.6 | 146.9 | -86 | 0 | 0 | 0 | 0 | 112 | | |
| 309 | S | 44.4 | Very low | 39.8 | Very low | 129 Ų | 129 | 132.7 Ų | 132.7 | 90% | 0.902 | 77% | 0.769 | S | S | * | * | | | trans | -83.1 | 148.8 | -176.5 | 52.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 310 | G | 31.1 | Very low | 38.9 | Very low | 71 Ų | 71 | 131 Ų | 131 | 73% | 0.732 | 77% | 0.768 | S | S | * | * | | | trans | 165.6 | 93.7 | 173 | 0 | 0 | 0 | 0 | 0 | 115.3 | P312 | G310-P312 WeakPolarHBondContact O-CD 3.48Š|
| 311 | S | 40.7 | Very low | 38 | Very low | 106 Ų | 106 | 130.1 Ų | 130.1 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | | | trans | -74.7 | 137.6 | 156.1 | 175.5 | 0 | 0 | 0 | 0 | 109.3 | F313 | S311-F313 PolarHBondContact OG-N 2.8Š|
| 312 | P | 45.3 | Very low | 37.6 | Very low | 102 Ų | 102 | 137.4 Ų | 137.4 | 66% | 0.662 | 79% | 0.788 | S | S | * | * | | | trans | -131.9 | 97.5 | 138.8 | 34.4 | -23.4 | 0 | 0 | 0 | 111.9 | G310 L314 | G310-P312 WeakPolarHBondContact O-CD 3.48Å; P312-L314 HydrophobicContact CB-CD1 4.39Å; P312-L314 HydrophobicContact CB-CG 4.33Å; P312-L314 PolarHBondContact O-N 3.48Å; P312-L314 VanDerWaalsContact O-N 3.13Å |
| 313 | F | 35.9 | Very low | 37.1 | Very low | 199 Ų | 199 | 140.8 Ų | 140.8 | 87% | 0.873 | 79% | 0.788 | S | S | * | * | | | trans | -58.8 | 110.7 | 149.4 | -103.8 | -94.7 | 0 | 0 | 0 | 108.3 | S311 | S311-F313 PolarHBondContact OG-N 2.8Š|
| 314 | L | 31.6 | Very low | 36.7 | Very low | 126 Ų | 126 | 142.5 Ų | 142.5 | 66% | 0.66 | 79% | 0.789 | S | S | * | * | | | trans | -130.1 | 108.2 | 171.3 | -79.9 | 175.9 | 0 | 0 | 0 | 110.3 | P312 K316 | P312-L314 HydrophobicContact CB-CD1 4.39Å; P312-L314 HydrophobicContact CB-CG 4.33Å; P312-L314 PolarHBondContact O-N 3.48Å; P312-L314 VanDerWaalsContact O-N 3.13Å; L314-K316 PolarHBondContact O-N 3.13Å |
| 315 | S | 38.3 | Very low | 36.4 | Very low | 128 Ų | 128 | 146.1 Ų | 146.1 | 90% | 0.895 | 80% | 0.796 | S | S | * | * | | | trans | -53.2 | 116.4 | 169.4 | -55.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 316 | K | 35.4 | Very low | 36 | Very low | 154 Ų | 154 | 147.8 Ų | 147.8 | 67% | 0.67 | 80% | 0.799 | S | S | * | * | | | trans | -114.3 | 100 | 178.5 | -78.2 | 175.8 | -179.1 | 172.7 | 0 | 110.2 | L314 C318 | L314-K316 PolarHBondContact O-N 3.13Å; K316-C318 PolarHBondContact O-N 3.42Å |
| 317 | E | 34 | Very low | 35.5 | Very low | 175 Ų | 175 | 151 Ų | 151 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -51 | 131.8 | 174.4 | -58.6 | -174.1 | 140.4 | 0 | 0 | 111.3 | S319 | E317-S319 PolarHBondContact O-N 3.33Š|
| 318 | C | 28.7 | Very low | 34.8 | Very low | 75 Ų | 75 | 148.2 Ų | 148.2 | 51% | 0.507 | 79% | 0.793 | S | S | . | * | | | trans | -85.2 | 62.5 | 177.7 | -73.1 | 0 | 0 | 0 | 0 | 111.7 | K316 L320 | K316-C318 PolarHBondContact O-N 3.42Å; C318-L320 PolarHBondContact O-N 3.44Å |
| 319 | S | 34.7 | Very low | 34.4 | Very low | 99 Ų | 99 | 146.1 Ų | 146.1 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | | | trans | -74.5 | 108.2 | 175.1 | -77 | 0 | 0 | 0 | 0 | 111.5 | E317 | E317-S319 PolarHBondContact O-N 3.33Š|
| 320 | L | 34.7 | Very low | 33.7 | Very low | 157 Ų | 157 | 148.5 Ų | 148.5 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | | | trans | -69.8 | 140.2 | 175.2 | -70.3 | 172 | 0 | 0 | 0 | 111.4 | C318 K322 | C318-L320 PolarHBondContact O-N 3.44Å; L320-K322 PolarHBondContact O-N 2.93Å |
| 321 | P | 32.3 | Very low | 33.6 | Very low | 124 Ų | 124 | 154.6 Ų | 154.6 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | | | trans | -74.4 | 115.6 | -169.1 | 28.2 | -35.1 | 0 | 0 | 0 | 113.2 | K323 | P321-K323 PolarHBondContact O-N 3.1Š|
| 322 | K | 34.5 | Very low | 33.2 | Very low | 207 Ų | 207 | 154.2 Ų | 154.2 | 90% | 0.9 | 78% | 0.784 | S | S | * | * | | | trans | -73.9 | 118.6 | 167.7 | -67.3 | 178.6 | -179.5 | 174.5 | 0 | 109.9 | L320 K324 | L320-K322 PolarHBondContact O-N 2.93Å; K322-K324 PolarHBondContact O-N 3.25Å |
| 323 | K | 38.7 | Very low | 32.4 | Very low | 213 Ų | 213 | 155.5 Ų | 155.5 | 93% | 0.926 | 80% | 0.795 | S | S | * | * | | | trans | -73 | 116 | 169.8 | -73.7 | -177.4 | 177.1 | 179.2 | 0 | 110.4 | P321 | P321-K323 PolarHBondContact O-N 3.1Š|
| 324 | K | 30.3 | Very low | 32 | Very low | 198 Ų | 198 | 149.5 Ų | 149.5 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | | | trans | -143.8 | 136.5 | 155.8 | -160.3 | 170.9 | -178 | -179.3 | 0 | 110.4 | K322 | K322-K324 PolarHBondContact O-N 3.25Š|
| 325 | R | 36.7 | Very low | 31.8 | Very low | 242 Ų | 242 | 148.9 Ų | 148.9 | 91% | 0.913 | 80% | 0.796 | S | S | * | * | | | trans | -76.9 | 138.2 | 173.5 | -72.5 | 158.6 | 56.8 | -175.2 | -1.8 | 109.1 | | |
| 326 | Q | 30.9 | Very low | 31.1 | Very low | 178 Ų | 178 | 147.9 Ų | 147.9 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | | | trans | -148.9 | 136.9 | 162.4 | -164.3 | 153.5 | -14.4 | 0 | 0 | 110.2 | | |
| 327 | K | 28.2 | Very low | 30.8 | Very low | 203 Ų | 203 | 147.2 Ų | 147.2 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | | | trans | -135 | 139.2 | 162.5 | -177.8 | 174.7 | 177.8 | -179.4 | 0 | 106.3 | | |
| 328 | C | 26.3 | Very low | 30.5 | Very low | 100 Ų | 100 | 144.5 Ų | 144.5 | 68% | 0.676 | 79% | 0.786 | S | S | * | * | | | trans | -87 | 165.7 | -167.1 | -47 | 0 | 0 | 0 | 0 | 112.9 | | |
| 329 | A | 29.1 | Very low | 30.3 | Very low | 82 Ų | 82 | 146.8 Ų | 146.8 | 68% | 0.678 | 80% | 0.797 | S | S | * | * | | | | 51.5 | 148.1 | 125.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 330 | E | 29.3 | Very low | 29.9 | Very low | 179 Ų | 179 | 149.1 Ų | 149.1 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | | | cis | -170.7 | 177.1 | -1.1 | -115.7 | 163.8 | 178.1 | 0 | 0 | 107.9 | | |
| 331 | K | 30.7 | Very low | 29.5 | Very low | 199 Ų | 199 | 146.5 Ų | 146.5 | 87% | 0.865 | 79% | 0.792 | S | S | * | * | | | trans | 139.3 | 162.7 | 148.2 | -80.1 | 177.8 | 176.3 | -176 | 0 | 114.1 | | |
| 332 | S | 30.8 | Very low | 29.3 | Very low | 98 Ų | 98 | 149.7 Ų | 149.7 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | | | cis | 171.9 | 123.4 | -47.9 | 56.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 333 | S | 29.2 | Very low | 29 | Very low | 130 Ų | 130 | 143 Ų | 143 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | | | trans | -174.9 | 142.1 | 159.7 | 49.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 334 | G | 27.6 | Very low | 28.6 | Very low | 73 Ų | 73 | 141.6 Ų | 141.6 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | | | cis | -174.8 | -169.3 | -2.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 335 | S | 26.6 | Very low | 28.3 | Very low | 113 Ų | 113 | 136.6 Ų | 136.6 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | | | trans | 5.8 | 140.3 | 167.2 | -113.9 | 0 | 0 | 0 | 0 | 120.5 | | |
| 336 | C | 25.1 | Very low | 27.8 | Very low | 107 Ų | 107 | 133.9 Ų | 133.9 | 72% | 0.723 | 76% | 0.764 | S | S | * | * | | | | -147.5 | 141.7 | 54.8 | -80.3 | 0 | 0 | 0 | 0 | 115.9 | | |
| 337 | I | 28.8 | Very low | 27.5 | Very low | 140 Ų | 140 | 129.7 Ų | 129.7 | 72% | 0.718 | 76% | 0.759 | S | S | * | * | | | | 49.5 | 126.3 | 127.9 | -60.5 | 174.6 | 0 | 0 | 0 | 118.6 | | |
| 338 | T | 26.7 | Very low | 27.5 | Very low | 118 Ų | 118 | 125.7 Ų | 125.7 | 72% | 0.724 | 75% | 0.751 | S | S | * | * | | | cis | -168.3 | 171.4 | -6.5 | 27.3 | 0 | 0 | 0 | 0 | 110 | | |
| 339 | V | 25.9 | Very low | 27.5 | Very low | 122 Ų | 122 | 128.8 Ų | 128.8 | 74% | 0.739 | 76% | 0.756 | S | S | * | * | | | trans | 105.3 | 119.5 | 153.8 | -173.8 | 0 | 0 | 0 | 0 | 117.3 | | |
| 340 | L | 26.5 | Very low | 27.3 | Very low | 149 Ų | 149 | 132.8 Ų | 132.8 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | | | trans | 16.5 | 148.9 | 137.7 | -47.8 | 177.5 | 0 | 0 | 0 | 119.5 | | |
| 341 | T | 26.1 | Very low | 27.2 | Very low | 102 Ų | 102 | 130.1 Ų | 130.1 | 63% | 0.626 | 76% | 0.757 | S | S | * | * | | | cis | -171.5 | 155.7 | 5.7 | 12.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 342 | E | 28.1 | Very low | 27 | Very low | 190 Ų | 190 | 129.1 Ų | 129.1 | 89% | 0.888 | 76% | 0.755 | S | S | * | * | | | trans | 53.6 | 169.7 | 144.1 | -66.4 | 172.1 | -167.6 | 0 | 0 | 122.4 | | |
| 343 | G | 28.3 | Very low | 26.8 | Very low | 68 Ų | 68 | 128.7 Ų | 128.7 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | | | trans | 103.5 | 115 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 344 | H | 28.9 | Very low | 27 | Very low | 182 Ų | 182 | 131.7 Ų | 131.7 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | | | | 50.8 | 133.5 | 54.9 | -82.1 | 67.9 | 0 | 0 | 0 | 113.5 | | |
| 345 | T | 23.9 | Very low | 27 | Very low | 93 Ų | 93 | 136.6 Ų | 136.6 | 57% | 0.571 | 76% | 0.758 | S | S | * | * | | | cis | 161.2 | 161.8 | -14.1 | 30.4 | 0 | 0 | 0 | 0 | 104.4 | | |
| 346 | F | 26.9 | Very low | 27.4 | Very low | 186 Ų | 186 | 134.9 Ų | 134.9 | 82% | 0.816 | 76% | 0.757 | S | S | * | * | | | trans | 69.2 | 135.9 | -176.9 | -58 | -91.1 | 0 | 0 | 0 | 113.7 | | |
| 347 | A | 25.7 | Very low | 27.7 | Very low | 89 Ų | 89 | 138 Ų | 138 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | | | cis | 85.3 | 155.1 | 16.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 348 | V | 26.8 | Very low | 28 | Very low | 119 Ų | 119 | 136.5 Ų | 136.5 | 72% | 0.721 | 76% | 0.763 | S | S | * | * | | | trans | 88.9 | 109.1 | -178.7 | -171.4 | 0 | 0 | 0 | 0 | 116 | | |
| 349 | E | 26 | Very low | 28.5 | Very low | 165 Ų | 165 | 140.7 Ų | 140.7 | 77% | 0.771 | 77% | 0.766 | S | S | * | * | | | trans | 27 | 140.1 | 135.4 | -62.5 | 162.8 | 151.5 | 0 | 0 | 123 | | |
| 350 | E | 25.1 | Very low | 28.8 | Very low | 167 Ų | 167 | 141.6 Ų | 141.6 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | | | | 25.2 | 126.2 | 129.6 | -40.8 | -172.9 | 155.4 | 0 | 0 | 118.5 | | |
| 351 | T | 27.2 | Very low | 29.2 | Very low | 122 Ų | 122 | 144.5 Ų | 144.5 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | | | | -175.1 | 157.8 | 71 | 25 | 0 | 0 | 0 | 0 | 114.1 | | |
| 352 | E | 26.2 | Very low | 29.6 | Very low | 178 Ų | 178 | 145.8 Ų | 145.8 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | | | trans | 44.3 | 106.9 | 143.5 | -59.8 | -162.9 | 147 | 0 | 0 | 124.1 | | |
| 353 | A | 27.8 | Very low | 30.2 | Very low | 90 Ų | 90 | 145.8 Ų | 145.8 | 74% | 0.744 | 78% | 0.775 | S | S | * | * | | | | 86.7 | 157.4 | 113.9 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 354 | K | 32 | Very low | 30.2 | Very low | 192 Ų | 192 | 148.7 Ų | 148.7 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | | | trans | 73.6 | 149.8 | 172 | -62.6 | -170.7 | -178.7 | -173.1 | 0 | 117.6 | | |
| 355 | E | 28 | Very low | 31.3 | Very low | 177 Ų | 177 | 145.4 Ų | 145.4 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | | | cis | -168.5 | 131.3 | -22.4 | -176.6 | 167.2 | 170 | 0 | 0 | 107 | | |
| 356 | G | 35.2 | Very low | 31.6 | Very low | 76 Ų | 76 | 146 Ų | 146 | 78% | 0.784 | 78% | 0.78 | S | S | * | * | | | trans | -165.1 | 30 | -160.8 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 357 | Q | 31.2 | Very low | 31.7 | Very low | 174 Ų | 174 | 145.3 Ų | 145.3 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | | | trans | -1.6 | 114.6 | 163.5 | -171.5 | 173.4 | 56 | 0 | 0 | 122.1 | | |
| 358 | S | 36 | Very low | 31.8 | Very low | 108 Ų | 108 | 150.2 Ų | 150.2 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | | | trans | -178.5 | 106 | 139.3 | 30.8 | 0 | 0 | 0 | 0 | 111 | | |
| 359 | R | 36.9 | Very low | 31.6 | Very low | 205 Ų | 205 | 148.8 Ų | 148.8 | 77% | 0.774 | 79% | 0.789 | S | S | * | * | | | | 45.1 | 99.9 | 94.6 | -75.3 | -175.2 | 170.5 | 150.2 | -1.8 | 113 | | |
| 360 | D | 31.3 | Very low | 31.5 | Very low | 142 Ų | 142 | 147.2 Ų | 147.2 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | S | Bend | | -154.3 | 171 | 60.2 | -95.4 | -20.6 | 0 | 0 | 0 | 115.1 | | |
| 361 | K | 34.8 | Very low | 31.6 | Very low | 210 Ų | 210 | 144 Ų | 144 | 91% | 0.913 | 79% | 0.787 | S | S | * | * | S | Bend | trans | 68.9 | 101.5 | -173.8 | -55.6 | -179.5 | -171.9 | 178.8 | 0 | 113.3 | | |
| 362 | I | 34.7 | Very low | 31.5 | Very low | 129 Ų | 129 | 142.9 Ų | 142.9 | 66% | 0.662 | 78% | 0.784 | S | S | * | * | | | trans | -141.2 | 125.9 | -165.9 | -56.7 | 172.5 | 0 | 0 | 0 | 110.4 | | |
| 363 | E | 41.1 | Very low | 31.6 | Very low | 190 Ų | 190 | 143.1 Ų | 143.1 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | | | trans | -166.2 | 122.7 | 144.3 | -114 | 170.8 | -149 | 0 | 0 | 109.8 | | |
| 364 | T | 29 | Very low | 31.7 | Very low | 129 Ų | 129 | 146.4 Ų | 146.4 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | | | trans | 176.7 | 170.5 | -170.3 | 5.4 | 0 | 0 | 0 | 0 | 109 | | |
| 365 | P | 50.6 | Low | 31.5 | Very low | 112 Ų | 112 | 144.6 Ų | 144.6 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | cis | -136 | -177.1 | -14.4 | 37.8 | -18.2 | 0 | 0 | 0 | 116 | | |
| 366 | C | 32 | Very low | 31.5 | Very low | 105 Ų | 105 | 141.8 Ų | 141.8 | 71% | 0.709 | 77% | 0.771 | S | S | * | * | | | trans | -23.5 | 159.2 | 164.8 | -47.9 | 0 | 0 | 0 | 0 | 122.9 | | |
| 367 | I | 27.7 | Very low | 31.3 | Very low | 172 Ų | 172 | 145 Ų | 145 | 88% | 0.882 | 77% | 0.766 | S | S | * | * | | | trans | -128.8 | 144.5 | 139.6 | -59.4 | -180 | 0 | 0 | 0 | 108.6 | | |
| 368 | F | 27.4 | Very low | 31.1 | Very low | 193 Ų | 193 | 147 Ų | 147 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | | | trans | -106.1 | 148.1 | 179.1 | -101.3 | -94.2 | 0 | 0 | 0 | 112.4 | | |
| 369 | A | 23.8 | Very low | 30.6 | Very low | 89 Ų | 89 | 146.5 Ų | 146.5 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | | | trans | -156.9 | 122.6 | 161.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 370 | V | 23.9 | Very low | 30.4 | Very low | 132 Ų | 132 | 144 Ų | 144 | 80% | 0.8 | 76% | 0.76 | S | S | * | * | | | trans | 62.5 | 100.4 | 131 | -175.5 | 0 | 0 | 0 | 0 | 120.5 | | |
| 371 | S | 26 | Very low | 30.7 | Very low | 99 Ų | 99 | 142.4 Ų | 142.4 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | | | | 61.1 | 121 | 124.9 | -53.9 | 0 | 0 | 0 | 0 | 124.2 | | |
| 372 | S | 26.4 | Very low | 30.2 | Very low | 98 Ų | 98 | 139.7 Ų | 139.7 | 69% | 0.685 | 75% | 0.753 | S | S | * | * | | | | 81.9 | 154.6 | 129.3 | 81.9 | 0 | 0 | 0 | 0 | 120.7 | | |
| 373 | K | 28.3 | Very low | 30 | Very low | 184 Ų | 184 | 143.8 Ų | 143.8 | 80% | 0.8 | 76% | 0.762 | S | S | * | * | | | trans | 62.6 | 105.8 | 166.2 | -57.3 | 167.4 | -172.4 | 169 | 0 | 116.6 | | |
| 374 | V | 29.3 | Very low | 29.4 | Very low | 159 Ų | 159 | 140.4 Ų | 140.4 | 96% | 0.964 | 76% | 0.759 | S | S | * | * | | | trans | -97.2 | 110.1 | 134.9 | 178.2 | 0 | 0 | 0 | 0 | 106.5 | | |
| 375 | K | 27.9 | Very low | 29.4 | Very low | 154 Ų | 154 | 140.5 Ų | 140.5 | 67% | 0.67 | 76% | 0.759 | S | S | * | * | | | trans | -145.5 | 131 | 175.4 | -141 | -134 | 177.7 | -147.2 | 0 | 108.7 | | |
| 376 | H | 27.7 | Very low | 28.3 | Very low | 118 Ų | 118 | 144.2 Ų | 144.2 | 55% | 0.546 | 77% | 0.767 | S | S | . | * | | | trans | 70.6 | 140.1 | 166.2 | -80.3 | -128.8 | 0 | 0 | 0 | 118.8 | | |
| 377 | E | 30.8 | Very low | 28.3 | Very low | 144 Ų | 144 | 146 Ų | 146 | 67% | 0.673 | 77% | 0.769 | S | S | * | * | | | trans | 47.7 | 140.3 | 133.7 | -63.3 | 154.9 | 167.5 | 0 | 0 | 120.8 | | |
| 378 | Y | 27 | Very low | 28.6 | Very low | 214 Ų | 214 | 143.9 Ų | 143.9 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | | | | 177.9 | 154.9 | 110.6 | -107.9 | -122.8 | 0 | 0 | 0 | 106.3 | | |
| 379 | V | 26.5 | Very low | 28.8 | Very low | 99 Ų | 99 | 142.9 Ų | 142.9 | 60% | 0.6 | 76% | 0.764 | S | S | * | * | | | cis | -167.1 | 163.5 | -25 | 112.1 | 0 | 0 | 0 | 0 | 105.1 | P381 | V379-P381 WeakPolarHBondContact O-CD 3.41Š|
| 380 | I | 32.6 | Very low | 29.1 | Very low | 152 Ų | 152 | 147.1 Ų | 147.1 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | | | trans | -89.6 | 115.5 | 165.4 | -60.5 | 172.3 | 0 | 0 | 0 | 107.6 | | |
| 381 | P | 36.8 | Very low | 29.4 | Very low | 109 Ų | 109 | 146.5 Ų | 146.5 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | | | trans | -82.7 | 130.6 | 166.9 | 32.7 | -30.8 | 0 | 0 | 0 | 109.9 | V379 | V379-P381 WeakPolarHBondContact O-CD 3.41Š|
| 382 | D | 25.4 | Very low | 29.6 | Very low | 153 Ų | 153 | 146 Ų | 146 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | | | trans | -66.8 | 159 | 168 | -60 | -67.5 | 0 | 0 | 0 | 111.3 | | |
| 383 | Y | 30.2 | Very low | 29.7 | Very low | 215 Ų | 215 | 146 Ų | 146 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | | | trans | -127.6 | 132.9 | 155.8 | 89.7 | -88.3 | 0 | 0 | 0 | 109.6 | | |
| 384 | S | 27.3 | Very low | 29.9 | Very low | 118 Ų | 118 | 145 Ų | 145 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | | | trans | -138.7 | 129.9 | 166.2 | -71.3 | 0 | 0 | 0 | 0 | 106.9 | | |
| 385 | V | 30.3 | Very low | 29.9 | Very low | 132 Ų | 132 | 144.2 Ų | 144.2 | 80% | 0.8 | 75% | 0.751 | S | S | * | * | | | trans | -131.1 | 142.7 | 169 | 179.5 | 0 | 0 | 0 | 0 | 107.4 | | |
| 386 | E | 27.5 | Very low | 30.1 | Very low | 189 Ų | 189 | 143.8 Ų | 143.8 | 88% | 0.883 | 75% | 0.751 | S | S | * | * | | | trans | -63.6 | 166.4 | -150.9 | -65.9 | 156.5 | 144.7 | 0 | 0 | 117.6 | | |
| 387 | L | 32.4 | Very low | 30.1 | Very low | 144 Ų | 144 | 144.4 Ų | 144.4 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | | | trans | -64.9 | 166.3 | 172.3 | -75.5 | 156.9 | 0 | 0 | 0 | 112.3 | | |
| 388 | P | 33.9 | Very low | 30.1 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | | | | -110.5 | 154.2 | 102.7 | -15.4 | 32.1 | 0 | 0 | 0 | 114.6 | | |
| 389 | E | 30.8 | Very low | 30.2 | Very low | 171 Ų | 171 | 141.3 Ų | 141.3 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | | | trans | -82.3 | 156.7 | 170.2 | -56 | 177.2 | 131.6 | 0 | 0 | 111 | | |
| 390 | E | 30.6 | Very low | 30.5 | Very low | 178 Ų | 178 | 142 Ų | 142 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | | | trans | -169.1 | 172.1 | 144.6 | -103.8 | -61.8 | 157.4 | 0 | 0 | 108.2 | | |
| 391 | T | 29.7 | Very low | 30.2 | Very low | 120 Ų | 120 | 139.5 Ų | 139.5 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | | | trans | -113.8 | 168.1 | -152 | 60.5 | 0 | 0 | 0 | 0 | 117.2 | | |
| 392 | A | 30.3 | Very low | 29.9 | Very low | 87 Ų | 87 | 139 Ų | 139 | 72% | 0.719 | 76% | 0.76 | S | S | * | * | | | trans | 61.8 | 116.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 393 | S | 28.5 | Very low | 30.4 | Very low | 100 Ų | 100 | 140.5 Ų | 140.5 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | | | | 85.1 | 134.7 | 52.6 | 78.2 | 0 | 0 | 0 | 0 | 115.7 | | |
| 394 | Q | 31.5 | Very low | 30.5 | Very low | 163 Ų | 163 | 136.3 Ų | 136.3 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | | | trans | 84.9 | 141.9 | 164.5 | -67.4 | -171.3 | -69.6 | 0 | 0 | 120 | | |
| 395 | H | 30.3 | Very low | 30.6 | Very low | 142 Ų | 142 | 135.7 Ų | 135.7 | 66% | 0.657 | 75% | 0.746 | S | S | * | * | | | trans | 40.4 | 147.4 | 151.8 | -69.5 | -76.7 | 0 | 0 | 0 | 120.7 | | |
| 396 | E | 32 | Very low | 30.7 | Very low | 144 Ų | 144 | 135.3 Ų | 135.3 | 67% | 0.673 | 74% | 0.744 | S | S | * | * | | | cis | -173.1 | 156.1 | -28.9 | -127.7 | 166.4 | -152.7 | 0 | 0 | 106 | | |
| 397 | D | 28.6 | Very low | 31.9 | Very low | 132 Ų | 132 | 132 Ų | 132 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | | | trans | 32.7 | 152.2 | 150.8 | -56.6 | -23.4 | 0 | 0 | 0 | 125.1 | | |
| 398 | D | 29.2 | Very low | 32.3 | Very low | 147 Ų | 147 | 131.2 Ų | 131.2 | 79% | 0.786 | 74% | 0.742 | S | S | * | * | | | trans | 80.6 | 139.4 | 154.4 | -64.7 | -27.1 | 0 | 0 | 0 | 123.9 | | |
| 399 | D | 29.1 | Very low | 32.1 | Very low | 146 Ų | 146 | 134.5 Ų | 134.5 | 78% | 0.781 | 74% | 0.744 | S | S | * | * | | | trans | 63.9 | 153.2 | 150.2 | -78.3 | -12.3 | 0 | 0 | 0 | 122.7 | | |
| 400 | V | 32.7 | Very low | 32.1 | Very low | 114 Ų | 114 | 133.7 Ų | 133.7 | 69% | 0.691 | 74% | 0.743 | S | S | * | * | | | cis | -168.4 | 156.6 | -38.1 | 109.4 | 0 | 0 | 0 | 0 | 109 | | |
| 401 | S | 27.8 | Very low | 32 | Very low | 98 Ų | 98 | 131.6 Ų | 131.6 | 69% | 0.685 | 74% | 0.743 | S | S | * | * | | | trans | 63.9 | 151.4 | 172.2 | -67.7 | 0 | 0 | 0 | 0 | 116.5 | | |
| 402 | S | 30.8 | Very low | 32.1 | Very low | 99 Ų | 99 | 133 Ų | 133 | 69% | 0.692 | 75% | 0.745 | S | S | * | * | | | cis | 81.1 | 138.6 | 25.7 | 99.6 | 0 | 0 | 0 | 0 | 114.5 | | |
| 403 | E | 35.2 | Very low | 32.2 | Very low | 184 Ų | 184 | 138.7 Ų | 138.7 | 86% | 0.86 | 75% | 0.753 | S | S | * | * | | | cis | -122.6 | -152.9 | -19.4 | -66.2 | -165.6 | 101.6 | 0 | 0 | 107.2 | | |
| 404 | D | 31.2 | Very low | 32.3 | Very low | 128 Ų | 128 | 143.1 Ų | 143.1 | 68% | 0.684 | 76% | 0.76 | S | S | * | * | | | cis | -159.3 | -163.4 | 2.9 | -178.5 | 25.1 | 0 | 0 | 0 | 107.9 | | |
| 405 | T | 29.8 | Very low | 32.3 | Very low | 105 Ų | 105 | 141.1 Ų | 141.1 | 64% | 0.644 | 76% | 0.759 | S | S | * | * | | | trans | 85.8 | 81.7 | 156 | 56 | 0 | 0 | 0 | 0 | 119.1 | | |
| 406 | T | 32.8 | Very low | 33 | Very low | 123 Ų | 123 | 140.1 Ų | 140.1 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | | | | 47.3 | 137.4 | 119 | 57.8 | 0 | 0 | 0 | 0 | 122.2 | | |
| 407 | P | 53.3 | Low | 33.2 | Very low | 120 Ų | 120 | 142.3 Ų | 142.3 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | | | trans | -103.2 | 168.5 | -170.2 | 41.3 | -38.3 | 0 | 0 | 0 | 116.2 | | |
| 408 | P | 39.9 | Very low | 33.2 | Very low | 127 Ų | 127 | 147.4 Ų | 147.4 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | | | trans | -109.6 | 167.9 | 157.7 | 35.9 | -26.7 | 0 | 0 | 0 | 114.8 | | |
| 409 | K | 30.7 | Very low | 33.2 | Very low | 197 Ų | 197 | 145.2 Ų | 145.2 | 86% | 0.857 | 78% | 0.777 | S | S | * | * | | | trans | -86.3 | 179.5 | 175.4 | -64.5 | 157.8 | -175.7 | 166.1 | 0 | 109.7 | | |
| 410 | I | 30.2 | Very low | 33.2 | Very low | 153 Ų | 153 | 145.8 Ų | 145.8 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | cis | -130.4 | -123 | 19.6 | -30.4 | 175.6 | 0 | 0 | 0 | 111.8 | | |
| 411 | V | 29.4 | Very low | 33 | Very low | 135 Ų | 135 | 149.6 Ų | 149.6 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | cis | -145.8 | 169.2 | 4.2 | -163 | 0 | 0 | 0 | 0 | 109.5 | | |
| 412 | L | 30.2 | Very low | 33.3 | Very low | 150 Ų | 150 | 151.7 Ų | 151.7 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | | | trans | -111.4 | 151.5 | -173.1 | -65.8 | 149.8 | 0 | 0 | 0 | 114.8 | | |
| 413 | K | 32.1 | Very low | 33.6 | Very low | 205 Ų | 205 | 152.9 Ų | 152.9 | 89% | 0.891 | 79% | 0.791 | S | S | * | * | | | trans | 179.1 | 117.9 | 141.4 | -95.3 | 149.5 | -174.9 | 178.9 | 0 | 109 | | |
| 414 | K | 31.3 | Very low | 33.2 | Very low | 194 Ų | 194 | 152 Ų | 152 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | | | | 95.8 | 84.9 | 60.2 | -90.5 | -167.3 | 172.7 | -178.5 | 0 | 115.9 | | |
| 415 | V | 31.3 | Very low | 33.1 | Very low | 121 Ų | 121 | 152 Ų | 152 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | | | | 40 | 122.8 | 115.4 | 177.9 | 0 | 0 | 0 | 0 | 118.5 | K417 | V415-K417 HydrophobicContact CG1-CG 4.13Š|
| 416 | P | 44.6 | Very low | 33 | Very low | 121 Ų | 121 | 155.2 Ų | 155.2 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | | | | -147.2 | 129.7 | 88.8 | 33.4 | -13.7 | 0 | 0 | 0 | 116.5 | | |
| 417 | K | 36.4 | Very low | 33 | Very low | 189 Ų | 189 | 156 Ų | 156 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | | | | 84.8 | 113.2 | 80.8 | -79.4 | -168.8 | 176 | -175.3 | 0 | 118.2 | V415 | V415-K417 HydrophobicContact CG1-CG 4.13Š|
| 418 | R | 29.1 | Very low | 32.8 | Very low | 239 Ų | 239 | 155.6 Ų | 155.6 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | | | trans | -174.4 | 110 | 134.1 | -106.6 | 170.9 | 174.8 | 150.3 | -1.2 | 109.2 | | |
| 419 | S | 28.4 | Very low | 33.1 | Very low | 101 Ų | 101 | 155.3 Ų | 155.3 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | | | | 70.5 | 131.8 | 101.2 | 67 | 0 | 0 | 0 | 0 | 115.3 | | |
| 420 | L | 30 | Very low | 32.9 | Very low | 158 Ų | 158 | 151.4 Ų | 151.4 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | | | cis | -165.2 | 163.2 | 2.8 | -132.7 | 158.9 | 0 | 0 | 0 | 111 | | |
| 421 | K | 28.9 | Very low | 32.9 | Very low | 194 Ų | 194 | 152 Ų | 152 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | | | trans | 79.7 | 117.3 | 170.2 | -59.1 | -171 | 177 | -177.1 | 0 | 119.2 | | |
| 422 | Q | 33.2 | Very low | 32.8 | Very low | 143 Ų | 143 | 150.8 Ų | 150.8 | 67% | 0.668 | 78% | 0.782 | S | S | * | * | | | trans | -102.7 | -178.4 | 152 | -56.9 | 176.4 | -73.2 | 0 | 0 | 108.1 | R424 | Q422-R424 HydrophobicContact CB-CG 4.06Å; Q422-R424 HydrophobicContact CG-CG 4.48Å |
| 423 | P | 36.6 | Very low | 32.7 | Very low | 124 Ų | 124 | 148.4 Ų | 148.4 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | | | | -105.4 | 157.6 | 59.2 | -10.5 | 32.1 | 0 | 0 | 0 | 113.7 | | |
| 424 | R | 27.7 | Very low | 32.5 | Very low | 164 Ų | 164 | 143.4 Ų | 143.4 | 62% | 0.619 | 77% | 0.769 | S | S | * | * | | | cis | 69.6 | 134.3 | 32.3 | -66.3 | -174.8 | 106.6 | 149.6 | -4.1 | 114 | Q422 | Q422-R424 HydrophobicContact CB-CG 4.06Å; Q422-R424 HydrophobicContact CG-CG 4.48Å |
| 425 | E | 28.2 | Very low | 32.3 | Very low | 128 Ų | 128 | 142.4 Ų | 142.4 | 60% | 0.598 | 77% | 0.772 | S | S | * | * | | | cis | -152 | 141.2 | -2.9 | -125.7 | 145.9 | 171.4 | 0 | 0 | 106.7 | | |
| 426 | Q | 27.9 | Very low | 32 | Very low | 174 Ų | 174 | 141.9 Ų | 141.9 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | | | | 58.9 | 97.3 | 60.2 | -78.1 | -170.2 | -0.3 | 0 | 0 | 115.8 | | |
| 427 | T | 33.7 | Very low | 31.2 | Very low | 138 Ų | 138 | 141.3 Ų | 141.3 | 85% | 0.847 | 77% | 0.772 | S | S | * | * | | | trans | -74.7 | 137.4 | 146.4 | 49.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 428 | P | 49.1 | Very low | 30.8 | Very low | 112 Ų | 112 | 142 Ų | 142 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | | -147 | -154 | 97.9 | 42.5 | -24.7 | 0 | 0 | 0 | 109.6 | | |
| 429 | P | 45.4 | Very low | 30.9 | Very low | 122 Ų | 122 | 137.9 Ų | 137.9 | 79% | 0.792 | 76% | 0.762 | S | S | * | * | | | cis | -131.4 | -162.6 | -7.1 | 42.9 | -24 | 0 | 0 | 0 | 114.6 | | |
| 430 | C | 26.3 | Very low | 30.9 | Very low | 115 Ų | 115 | 142.2 Ų | 142.2 | 78% | 0.777 | 77% | 0.771 | S | S | * | * | | | trans | -111.9 | 156 | -173.6 | -74.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 431 | L | 30.2 | Very low | 31.2 | Very low | 165 Ų | 165 | 139.5 Ų | 139.5 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | | | trans | 68.1 | 113.1 | 147.3 | -69.2 | 163.8 | 0 | 0 | 0 | 122.2 | | |
| 432 | S | 27.9 | Very low | 31.4 | Very low | 110 Ų | 110 | 136.2 Ų | 136.2 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | | | | -155 | 137.8 | 121.9 | 43.8 | 0 | 0 | 0 | 0 | 107.8 | | |
| 433 | S | 28.8 | Very low | 31.6 | Very low | 100 Ų | 100 | 137.1 Ų | 137.1 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | | | | 66.5 | 132.1 | 58.9 | -50.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 434 | S | 28.4 | Very low | 31.3 | Very low | 100 Ų | 100 | 137.4 Ų | 137.4 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | | | cis | -169.8 | 157.6 | 4.5 | -110.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 435 | L | 26.9 | Very low | 31.4 | Very low | 173 Ų | 173 | 133.1 Ų | 133.1 | 91% | 0.906 | 76% | 0.764 | S | S | * | * | | | trans | 64.7 | 165.6 | 160.7 | -59.3 | 163.6 | 0 | 0 | 0 | 115.8 | | |
| 436 | S | 24.3 | Very low | 31.5 | Very low | 109 Ų | 109 | 135.3 Ų | 135.3 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | | | cis | -139.2 | 163.4 | -0 | 53.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 437 | S | 28.9 | Very low | 31.5 | Very low | 110 Ų | 110 | 136.4 Ų | 136.4 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | | | trans | -65.5 | 145 | 171.8 | 51.2 | 0 | 0 | 0 | 0 | 114 | | |
| 438 | Y | 27.4 | Very low | 31.4 | Very low | 204 Ų | 204 | 135.2 Ų | 135.2 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | | | trans | -149.4 | -177.4 | 137.8 | -141.1 | -108.8 | 0 | 0 | 0 | 111.8 | | |
| 439 | E | 30.4 | Very low | 30.4 | Very low | 151 Ų | 151 | 137.2 Ų | 137.2 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | | | trans | -80.4 | 171.1 | -159.8 | -59.2 | 175.3 | 143.6 | 0 | 0 | 115.7 | | |
| 440 | E | 29.5 | Very low | 29.7 | Very low | 193 Ų | 193 | 138.2 Ų | 138.2 | 90% | 0.902 | 76% | 0.756 | S | S | * | * | | | | 135 | 118.8 | 127.4 | -160.5 | 161.7 | -134.5 | 0 | 0 | 112.3 | | |
| 441 | A | 35.2 | Very low | 30.1 | Very low | 101 Ų | 101 | 139.3 Ų | 139.3 | 84% | 0.835 | 75% | 0.753 | S | S | * | * | | | trans | -142.8 | 122.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 442 | D | 32.9 | Very low | 30.1 | Very low | 124 Ų | 124 | 137.5 Ų | 137.5 | 66% | 0.663 | 75% | 0.748 | S | S | * | * | | | trans | -156.7 | 131.9 | -179.2 | -154 | 1 | 0 | 0 | 0 | 112.4 | | |
| 443 | K | 38.9 | Very low | 30.3 | Very low | 162 Ų | 162 | 138.1 Ų | 138.1 | 70% | 0.704 | 74% | 0.743 | S | S | * | * | | | trans | 70.9 | 138.4 | 165.4 | -51.5 | -169.2 | 168.9 | 50.5 | 0 | 117.4 | | |
| 444 | V | 29.6 | Very low | 30.6 | Very low | 130 Ų | 130 | 140.9 Ų | 140.9 | 79% | 0.788 | 74% | 0.743 | S | S | * | * | | | cis | -157.7 | 152.2 | -0.1 | 104 | 0 | 0 | 0 | 0 | 113.4 | | |
| 445 | A | 30.1 | Very low | 30.8 | Very low | 75 Ų | 75 | 144.6 Ų | 144.6 | 62% | 0.62 | 75% | 0.749 | S | S | * | * | | | trans | 63 | 148.4 | 163.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 446 | Q | 30.2 | Very low | 30.9 | Very low | 173 Ų | 173 | 139.7 Ų | 139.7 | 81% | 0.808 | 74% | 0.741 | S | S | * | * | | | cis | -162.6 | 129.9 | -12.7 | -116.1 | 164 | -36.9 | 0 | 0 | 105.6 | | |
| 447 | Y | 28 | Very low | 31.1 | Very low | 198 Ų | 198 | 142.7 Ų | 142.7 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | | | | 42.1 | 110.8 | 70.1 | -74.7 | -71.5 | 0 | 0 | 0 | 112.1 | F449 | Y447-F449 HydrophobicContact CD1-CE1 4.24Š|
| 448 | T | 30.5 | Very low | 31.6 | Very low | 113 Ų | 113 | 144.5 Ų | 144.5 | 69% | 0.693 | 75% | 0.747 | S | S | * | * | | | cis | -162.8 | 177.1 | 43.7 | 44.4 | 0 | 0 | 0 | 0 | 108.6 | | |
| 449 | F | 28.7 | Very low | 31.6 | Very low | 153 Ų | 153 | 141.4 Ų | 141.4 | 67% | 0.671 | 75% | 0.745 | S | S | * | * | | | cis | -175 | 164.3 | -13.4 | -94.3 | -2 | 0 | 0 | 0 | 105.9 | Y447 | Y447-F449 HydrophobicContact CD1-CE1 4.24Š|
| 450 | E | 31.1 | Very low | 31.8 | Very low | 144 Ų | 144 | 141.3 Ų | 141.3 | 67% | 0.673 | 75% | 0.754 | S | S | * | * | | | cis | -160.8 | -175.8 | -3.6 | -117.3 | -179.6 | 125.5 | 0 | 0 | 113.6 | | |
| 451 | I | 34.3 | Very low | 32.1 | Very low | 137 Ų | 137 | 140.3 Ų | 140.3 | 70% | 0.703 | 75% | 0.749 | S | S | * | * | | | trans | -27.6 | 140.1 | 171.7 | -27.8 | 176.4 | 0 | 0 | 0 | 120.7 | | |
| 452 | V | 29.2 | Very low | 32 | Very low | 127 Ų | 127 | 140.7 Ų | 140.7 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | | | | 158.5 | 98.2 | 119.6 | 170.3 | 0 | 0 | 0 | 0 | 113.7 | | |
| 453 | D | 31.9 | Very low | 32.1 | Very low | 123 Ų | 123 | 142 Ų | 142 | 66% | 0.658 | 75% | 0.753 | S | S | * | * | | | | 50.1 | 138.1 | 128 | -141.6 | 19.4 | 0 | 0 | 0 | 125.5 | | |
| 454 | K | 35.2 | Very low | 31.7 | Very low | 159 Ų | 159 | 138.3 Ų | 138.3 | 69% | 0.691 | 75% | 0.753 | S | S | * | * | | | trans | 81.4 | 131.9 | 156.7 | -73.4 | -178.3 | -178.3 | 77.7 | 0 | 124.6 | | |
| 455 | Q | 33 | Very low | 31.9 | Very low | 177 Ų | 177 | 137 Ų | 137 | 83% | 0.827 | 74% | 0.741 | S | S | * | * | | | trans | 46.4 | 127.4 | 148.9 | -101.6 | 68.7 | 10.2 | 0 | 0 | 122.3 | | |
| 456 | G | 28.9 | Very low | 32.1 | Very low | 71 Ų | 71 | 138.6 Ų | 138.6 | 73% | 0.732 | 74% | 0.739 | S | S | * | * | | | | 150.1 | 146.5 | 120.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 457 | L | 29.8 | Very low | 32.1 | Very low | 171 Ų | 171 | 137.9 Ų | 137.9 | 90% | 0.895 | 74% | 0.735 | S | S | * | * | | | trans | 68.7 | 149 | 154.1 | -121.8 | 68.4 | 0 | 0 | 0 | 121.5 | | |
| 458 | L | 38.3 | Very low | 32.2 | Very low | 149 Ų | 149 | 133.2 Ų | 133.2 | 78% | 0.78 | 73% | 0.732 | S | S | * | * | | | trans | -98.2 | 174.5 | 165.2 | -66.7 | 167.3 | 0 | 0 | 0 | 109 | | |
| 459 | D | 28.3 | Very low | 32.1 | Very low | 139 Ų | 139 | 133.7 Ų | 133.7 | 74% | 0.743 | 73% | 0.734 | S | S | * | * | | | trans | 135.1 | 122.2 | 139.2 | -67.9 | -17.6 | 0 | 0 | 0 | 113.3 | | |
| 460 | V | 34.9 | Very low | 32.3 | Very low | 149 Ų | 149 | 134.1 Ų | 134.1 | 90% | 0.903 | 74% | 0.738 | S | S | * | * | | | trans | -141.4 | 133.8 | 147 | -178.8 | 0 | 0 | 0 | 0 | 107.1 | | |
| 461 | E | 35.8 | Very low | 32.1 | Very low | 171 Ų | 171 | 132.7 Ų | 132.7 | 80% | 0.799 | 74% | 0.74 | S | S | * | * | | | trans | -90.5 | -168.8 | -169.4 | -53 | 163.2 | 90.7 | 0 | 0 | 113.1 | | |
| 462 | S | 33.2 | Very low | 31.9 | Very low | 109 Ų | 109 | 133.3 Ų | 133.3 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | | | trans | 88.4 | 153.9 | 142.9 | 81.2 | 0 | 0 | 0 | 0 | 119.1 | | |
| 463 | N | 33.4 | Very low | 31.8 | Very low | 151 Ų | 151 | 135.7 Ų | 135.7 | 81% | 0.807 | 75% | 0.746 | S | S | * | * | | | cis | -162.6 | 169.1 | -49.8 | -136.2 | -33.6 | 0 | 0 | 0 | 108.7 | | |
| 464 | A | 32.3 | Very low | 31.6 | Very low | 85 Ų | 85 | 133.5 Ų | 133.5 | 70% | 0.702 | 75% | 0.752 | S | S | * | * | | | trans | 64.7 | 159 | 160.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 465 | D | 33 | Very low | 31.3 | Very low | 103 Ų | 103 | 129.4 Ų | 129.4 | 55% | 0.551 | 76% | 0.756 | S | S | * | * | | | cis | -164.3 | 169 | -46.6 | -141.5 | -31.1 | 0 | 0 | 0 | 109.9 | | |
| 466 | L | 34.7 | Very low | 31.3 | Very low | 109 Ų | 109 | 127.9 Ų | 127.9 | 57% | 0.571 | 76% | 0.759 | S | S | * | * | | | trans | 64.6 | 121.5 | 159.2 | -59.9 | 170.4 | 0 | 0 | 0 | 117.4 | | |
| 467 | E | 29.6 | Very low | 31.5 | Very low | 157 Ų | 157 | 131.2 Ų | 131.2 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | | | | 66.4 | 140.2 | 93.6 | -61.6 | 175.4 | -165.4 | 0 | 0 | 113 | | |
| 468 | S | 30.3 | Very low | 31.7 | Very low | 100 Ų | 100 | 132.5 Ų | 132.5 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | | | cis | -163.4 | 147.4 | 32.9 | 65 | 0 | 0 | 0 | 0 | 110.3 | | |
| 469 | V | 29.2 | Very low | 31.5 | Very low | 123 Ų | 123 | 131.3 Ų | 131.3 | 75% | 0.745 | 77% | 0.765 | S | S | * | * | | | | 89.1 | 123 | 103.5 | 164.8 | 0 | 0 | 0 | 0 | 117.4 | | |
| 470 | E | 31.1 | Very low | 31.6 | Very low | 162 Ų | 162 | 129.7 Ų | 129.7 | 76% | 0.757 | 77% | 0.77 | S | S | * | * | | | trans | 58.2 | 130.4 | 147.3 | -72.8 | -177.2 | 133.7 | 0 | 0 | 126.7 | | |
| 471 | T | 26.9 | Very low | 31.6 | Very low | 115 Ų | 115 | 129.1 Ų | 129.1 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | | | trans | 87.1 | 135.1 | 131.5 | 55 | 0 | 0 | 0 | 0 | 124.9 | | |
| 472 | L | 31.6 | Very low | 31.7 | Very low | 150 Ų | 150 | 126 Ų | 126 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | | | trans | 61.3 | 103.8 | 138.7 | -68.3 | 169.3 | 0 | 0 | 0 | 121.6 | | |
| 473 | Q | 27.3 | Very low | 32 | Very low | 177 Ų | 177 | 126.1 Ų | 126.1 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | | | | -179.7 | 135.1 | 104.6 | -138.2 | 63.4 | -16.1 | 0 | 0 | 105.5 | | |
| 474 | G | 26.9 | Very low | 32.7 | Very low | 76 Ų | 76 | 125 Ų | 125 | 78% | 0.784 | 76% | 0.764 | S | S | * | * | | | | 111.3 | 106.1 | 52.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 475 | G | 28.5 | Very low | 33.9 | Very low | 74 Ų | 74 | 125 Ų | 125 | 76% | 0.763 | 75% | 0.752 | S | S | * | * | | | trans | -163.3 | 68.6 | -167.7 | 0 | 0 | 0 | 0 | 0 | 115 | T477 | G475-T477 PolarHBondContact O-N 3.29Š|
| 476 | T | 33.9 | Very low | 35.5 | Very low | 145 Ų | 145 | 128.7 Ų | 128.7 | 89% | 0.89 | 76% | 0.76 | S | S | * | * | | | trans | -74 | 119.1 | 177 | 51.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 477 | T | 33.5 | Very low | 36.6 | Very low | 140 Ų | 140 | 128.4 Ų | 128.4 | 86% | 0.859 | 76% | 0.759 | S | S | * | * | | | trans | -129.8 | 153.9 | 162.5 | 54.7 | 0 | 0 | 0 | 0 | 111.3 | G475 | G475-T477 PolarHBondContact O-N 3.29Š|
| 478 | K | 33.5 | Very low | 38.3 | Very low | 199 Ų | 199 | 124.8 Ų | 124.8 | 87% | 0.865 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 156.3 | -170.7 | -75.8 | 176.8 | 179 | 174.6 | 0 | 111.8 | | |
| 479 | P | 33.9 | Very low | 39.9 | Very low | 124 Ų | 124 | 122.3 Ų | 122.3 | 81% | 0.805 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 136.9 | -178.1 | 26 | -35.7 | 0 | 0 | 0 | 112.6 | | |
| 480 | A | 30.6 | Very low | 42.6 | Very low | 104 Ų | 104 | 120.5 Ų | 120.5 | 86% | 0.86 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 137.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111 | S482 | A480-S482 PolarHBondContact O-N 2.84Š|
| 481 | T | 35 | Very low | 44.6 | Very low | 137 Ų | 137 | 118 Ų | 118 | 84% | 0.84 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 117.2 | -174.2 | 50.9 | 0 | 0 | 0 | 0 | 112.6 | S483 | T481-S483 PolarHBondContact O-N 3.39Š|
| 482 | S | 38.5 | Very low | 47 | Very low | 106 Ų | 106 | 119.5 Ų | 119.5 | 74% | 0.741 | 70% | 0.7 | S | S | * | * | | | trans | -75.9 | 105.9 | 169.1 | 55.5 | 0 | 0 | 0 | 0 | 111.1 | A480 T484 | A480-S482 PolarHBondContact O-N 2.84Å; S482-T484 PolarHBondContact O-N 3.32Å |
| 483 | S | 38.8 | Very low | 49.2 | Very low | 112 Ų | 112 | 116.3 Ų | 116.3 | 78% | 0.783 | 68% | 0.683 | S | S | * | * | | | trans | -74.7 | 88.8 | 174.8 | 43.9 | 0 | 0 | 0 | 0 | 111.4 | T481 N485 | T481-S483 PolarHBondContact O-N 3.39Å; S483-N485 PolarHBondContact O-N 3.47Å; S483-N485 VanDerWaalsContact O-N 3.09Å |
| 484 | T | 47.1 | Very low | 51.7 | Low | 126 Ų | 126 | 115.4 Ų | 115.4 | 77% | 0.773 | 68% | 0.676 | S | S | * | * | | | trans | -63.3 | 110.5 | 171.6 | 50.5 | 0 | 0 | 0 | 0 | 110.1 | S482 Y486 | S482-T484 PolarHBondContact O-N 3.32Å; T484-Y486 PolarHBondContact O-N 3.39Å |
| 485 | N | 59.2 | Low | 54.2 | Low | 86 Ų | 86 | 118.9 Ų | 118.9 | 46% | 0.46 | 67% | 0.67 | S | S | . | * | | | trans | -60.3 | 123.5 | -174.2 | -112.3 | -33.3 | 0 | 0 | 0 | 111.6 | S483 D487 D488 A489 | S483-N485 PolarHBondContact O-N 3.47Å; S483-N485 VanDerWaalsContact O-N 3.09Å; N485-D487 PolarHBondContact O-N 3.48Å; N485-D487 VanDerWaalsContact O-N 3.16Å; N485-D488 HydrophobicContact CB-CB 4.29Å; N485-D488 PolarHBondContact O-N 3.07Å; N485-A489 PolarHBondContact O-N 2.92Å |
| 486 | Y | 65.4 | Low | 56.6 | Low | 180 Ų | 180 | 121.9 Ų | 121.9 | 71% | 0.706 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -56.7 | -32.9 | -179.2 | 179.3 | -96.7 | 0 | 0 | 0 | 112.3 | T484 A489 M490 | T484-Y486 PolarHBondContact O-N 3.39Å; Y486-A489 PolarHBondContact O-N 3.05Å; Y486-M490 HydrophobicContact CD1-CG 4.06Å; Y486-M490 HydrophobicContact CE1-CG 3.75Å; Y486-M490 HydrophobicContact CE2-CG 4.47Å; Y486-M490 WeakPolarHBondContact O-CB 3.48Å; Y486-M490 VanDerWaalsContact O-CG 3.24Å; Y486-M490 WeakPolarHBondContact O-CG 3.4Å; Y486-M490 PolarHBondContact O-N 2.93Å |
| 487 | D | 57.5 | Low | 58.6 | Low | 104 Ų | 104 | 123.8 Ų | 123.8 | 56% | 0.556 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -75.9 | -29.7 | 179.3 | -154.3 | 28.6 | 0 | 0 | 0 | 113.1 | N485 Q491 | N485-D487 PolarHBondContact O-N 3.48Å; N485-D487 VanDerWaalsContact O-N 3.16Å; D487-Q491 WeakPolarHBondContact O-CB 3.23Å; D487-Q491 VanDerWaalsContact O-CG 3.28Å; D487-Q491 WeakPolarHBondContact O-CG 3.36Å; D487-Q491 PolarHBondContact O-N 2.82Å; D487-Q491 PolarHBondContact O-NE2 2.82Å |
| 488 | D | 65.8 | Low | 60.6 | Low | 81 Ų | 81 | 126.2 Ų | 126.2 | 43% | 0.433 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -72.2 | -40 | 170.2 | -74.9 | -40.4 | 0 | 0 | 0 | 110.5 | N485 M490 Q491 F492 | N485-D488 HydrophobicContact CB-CB 4.29Å; N485-D488 PolarHBondContact O-N 3.07Å; D488-M490 VanDerWaalsContact C-N 3.34Å; D488-M490 PolarHBondContact O-N 3.14Å; D488-Q491 PolarHBondContact O-N 3.1Å; D488-F492 WeakPolarHBondContact O-CB 3.46Å; D488-F492 PolarHBondContact O-N 2.76Å |
| 489 | A | 63.8 | Low | 62.7 | Low | 47 Ų | 47 | 121.2 Ų | 121.2 | 39% | 0.388 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -61.9 | -40.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | N485 Y486 F492 L493 | N485-A489 PolarHBondContact O-N 2.92Å; Y486-A489 PolarHBondContact O-N 3.05Å; A489-F492 PolarHBondContact O-N 3.06Å; A489-L493 WeakPolarHBondContact O-CB 3.34Å; A489-L493 VanDerWaalsContact O-CG 3.3Å; A489-L493 WeakPolarHBondContact O-CG 3.4Å; A489-L493 PolarHBondContact O-N 3.41Å |
| 490 | M | 85.4 | Confident | 64.3 | Low | 85 Ų | 85 | 121.7 Ų | 121.7 | 42% | 0.419 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -69.5 | -36 | 175.4 | -76.9 | -68.6 | -75 | 0 | 0 | 112.7 | Y486 D488 L493 K494 | Y486-M490 HydrophobicContact CD1-CG 4.06Å; Y486-M490 HydrophobicContact CE1-CG 3.75Å; Y486-M490 HydrophobicContact CE2-CG 4.47Å; Y486-M490 WeakPolarHBondContact O-CB 3.48Å; Y486-M490 VanDerWaalsContact O-CG 3.24Å; Y486-M490 WeakPolarHBondContact O-CG 3.4Å; Y486-M490 PolarHBondContact O-N 2.93Å; D488-M490 VanDerWaalsContact C-N 3.34Å; D488-M490 PolarHBondContact O-N 3.14Å; M490-L493 HydrophobicContact SD-CD1 4.34Å; M490-K494 WeakPolarHBondContact O-CB 3.48Å; M490-K494 PolarHBondContact O-N 3.34Å |
| 491 | Q | 74.6 | Confident | 66 | Low | 110 Ų | 110 | 118.8 Ų | 118.8 | 51% | 0.514 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65.6 | -41 | 170.2 | -78.3 | 177.5 | 85.9 | 0 | 0 | 112 | D487 D488 K494 K495 | D487-Q491 WeakPolarHBondContact O-CB 3.23Å; D487-Q491 VanDerWaalsContact O-CG 3.28Å; D487-Q491 WeakPolarHBondContact O-CG 3.36Å; D487-Q491 PolarHBondContact O-N 2.82Å; D487-Q491 PolarHBondContact O-NE2 2.82Å; D488-Q491 PolarHBondContact O-N 3.1Å; Q491-K494 PolarHBondContact O-N 3.46Å; Q491-K495 WeakPolarHBondContact O-CB 3.48Å; Q491-K495 PolarHBondContact O-N 3.23Å |
| 492 | F | 76.3 | Confident | 67.4 | Low | 147 Ų | 147 | 114 Ų | 114 | 65% | 0.645 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65 | -44.5 | 175.7 | -163.7 | -89.3 | 0 | 0 | 0 | 111.7 | D488 A489 K494 K495 K496 | D488-F492 WeakPolarHBondContact O-CB 3.46Å; D488-F492 PolarHBondContact O-N 2.76Å; A489-F492 PolarHBondContact O-N 3.06Å; F492-K494 VanDerWaalsContact C-N 3.32Å; F492-K494 PolarHBondContact O-N 2.8Å; F492-K495 PolarHBondContact O-N 3.45Å; F492-K496 VanDerWaalsContact O-CB 3.31Å; F492-K496 WeakPolarHBondContact O-CB 3.45Å; F492-K496 PolarHBondContact O-N 3.5Å |
| 493 | L | 78.3 | Confident | 68.4 | Low | 82 Ų | 82 | 115.3 Ų | 115.3 | 43% | 0.429 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.2 | -37.3 | 173.2 | -74.7 | 169.4 | 0 | 0 | 0 | 112.2 | A489 M490 R497 | A489-L493 WeakPolarHBondContact O-CB 3.34Å; A489-L493 VanDerWaalsContact O-CG 3.3Å; A489-L493 WeakPolarHBondContact O-CG 3.4Å; A489-L493 PolarHBondContact O-N 3.41Å; M490-L493 HydrophobicContact SD-CD1 4.34Å; L493-R497 WeakPolarHBondContact O-CB 3.35Å; L493-R497 VanDerWaalsContact O-CG 3.3Å; L493-R497 WeakPolarHBondContact O-CG 3.41Å; L493-R497 PolarHBondContact O-N 3.16Å |
| 494 | K | 80 | Confident | 69.2 | Low | 158 Ų | 158 | 112.7 Ų | 112.7 | 69% | 0.687 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -68.4 | -43 | 174.9 | -171.8 | 179.5 | 179.1 | -172.8 | 0 | 111.8 | M490 Q491 F492 R497 Y498 | M490-K494 WeakPolarHBondContact O-CB 3.48Å; M490-K494 PolarHBondContact O-N 3.34Å; Q491-K494 PolarHBondContact O-N 3.46Å; F492-K494 VanDerWaalsContact C-N 3.32Å; F492-K494 PolarHBondContact O-N 2.8Å; K494-R497 PolarHBondContact O-N 3.49Å; K494-Y498 WeakPolarHBondContact O-CB 3.43Å; K494-Y498 PolarHBondContact O-N 3.49Å |
| 495 | K | 79.8 | Confident | 69.3 | Low | 149 Ų | 149 | 112.9 Ų | 112.9 | 65% | 0.648 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.1 | -43.2 | 174.2 | -168.9 | 177.2 | -179.1 | -176.8 | 0 | 111 | Q491 F492 Y498 L499 | Q491-K495 WeakPolarHBondContact O-CB 3.48Å; Q491-K495 PolarHBondContact O-N 3.23Å; F492-K495 PolarHBondContact O-N 3.45Å; K495-Y498 PolarHBondContact O-N 3.24Å; K495-L499 PolarHBondContact O-N 3.31Å |
| 496 | K | 78.1 | Confident | 68.7 | Low | 138 Ų | 138 | 115.5 Ų | 115.5 | 60% | 0.6 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.6 | -42 | 175.3 | -172.3 | 171 | -177.1 | 173.7 | 0 | 112.4 | F492 L499 H500 | F492-K496 VanDerWaalsContact O-CB 3.31Å; F492-K496 WeakPolarHBondContact O-CB 3.45Å; F492-K496 PolarHBondContact O-N 3.5Å; K496-L499 PolarHBondContact O-N 3.33Å; K496-H500 VanDerWaalsContact O-CB 3.28Å; K496-H500 WeakPolarHBondContact O-CB 3.34Å; K496-H500 PolarHBondContact O-N 3.24Å |
| 497 | R | 75.9 | Confident | 67.5 | Low | 185 Ų | 185 | 111.4 Ų | 111.4 | 70% | 0.698 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.3 | -36.3 | 172.8 | -74.8 | 177.6 | -170.1 | 176 | 5.7 | 112.5 | L493 K494 A501 | L493-R497 WeakPolarHBondContact O-CB 3.35Å; L493-R497 VanDerWaalsContact O-CG 3.3Å; L493-R497 WeakPolarHBondContact O-CG 3.41Å; L493-R497 PolarHBondContact O-N 3.16Å; K494-R497 PolarHBondContact O-N 3.49Å; R497-A501 VanDerWaalsContact O-CB 3.26Å; R497-A501 WeakPolarHBondContact O-CB 3.47Å; R497-A501 PolarHBondContact O-N 2.84Å |
| 498 | Y | 75.4 | Confident | 66.7 | Low | 190 Ų | 190 | 116.5 Ų | 116.5 | 75% | 0.745 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -69.8 | -42.3 | 176.6 | -161.9 | -96.2 | 0 | 0 | 0 | 111.9 | K494 K495 A501 A502 | K494-Y498 WeakPolarHBondContact O-CB 3.43Å; K494-Y498 PolarHBondContact O-N 3.49Å; K495-Y498 PolarHBondContact O-N 3.24Å; Y498-A501 PolarHBondContact O-N 3.08Å; Y498-A502 WeakPolarHBondContact O-CB 3.44Å; Y498-A502 PolarHBondContact O-N 3.28Å |
| 499 | L | 76.6 | Confident | 65.2 | Low | 94 Ų | 94 | 119.5 Ų | 119.5 | 49% | 0.492 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -61.3 | -45.2 | 171.5 | -102.3 | 160.2 | 0 | 0 | 0 | 112.2 | K495 K496 A501 A502 M503 | K495-L499 PolarHBondContact O-N 3.31Å; K496-L499 PolarHBondContact O-N 3.33Å; L499-A501 VanDerWaalsContact C-N 3.31Å; L499-A501 PolarHBondContact O-N 2.79Å; L499-A502 PolarHBondContact O-N 2.83Å; L499-M503 WeakPolarHBondContact O-CB 3.2Å; L499-M503 WeakPolarHBondContact O-CG 3.42Å; L499-M503 PolarHBondContact O-N 3.44Å |
| 500 | H | 67.9 | Low | 63.7 | Low | 134 Ų | 134 | 128.4 Ų | 128.4 | 62% | 0.62 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -66.5 | -32.2 | 176.6 | -167.8 | -51.9 | 0 | 0 | 0 | 112.4 | K496 A504 | K496-H500 VanDerWaalsContact O-CB 3.28Å; K496-H500 WeakPolarHBondContact O-CB 3.34Å; K496-H500 PolarHBondContact O-N 3.24Å; H500-A504 VanDerWaalsContact O-CB 3.25Å; H500-A504 WeakPolarHBondContact O-CB 3.26Å; H500-A504 PolarHBondContact O-N 2.95Å |
| 501 | A | 66.7 | Low | 61.1 | Low | 43 Ų | 43 | 128 Ų | 128 | 36% | 0.355 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -71.9 | -38 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112 | R497 Y498 L499 A504 N505 | R497-A501 VanDerWaalsContact O-CB 3.26Å; R497-A501 WeakPolarHBondContact O-CB 3.47Å; R497-A501 PolarHBondContact O-N 2.84Å; Y498-A501 PolarHBondContact O-N 3.08Å; L499-A501 VanDerWaalsContact C-N 3.31Å; L499-A501 PolarHBondContact O-N 2.79Å; A501-A504 PolarHBondContact O-N 3.13Å; A501-N505 VanDerWaalsContact O-CB 3.29Å; A501-N505 WeakPolarHBondContact O-CB 3.48Å; A501-N505 PolarHBondContact O-N 3.47Å; A501-N505 PolarHBondContact O-ND2 3.42Å; A501-N505 PolarHBondContact O-OD1 3.12Å |
| 502 | A | 64.2 | Low | 59.3 | Low | 38 Ų | 38 | 130.2 Ų | 130.2 | 31% | 0.314 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -64.8 | -44 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y498 L499 N505 N506 | Y498-A502 WeakPolarHBondContact O-CB 3.44Å; Y498-A502 PolarHBondContact O-N 3.28Å; L499-A502 PolarHBondContact O-N 2.83Å; A502-N505 PolarHBondContact O-N 2.79Å; A502-N506 WeakPolarHBondContact O-CB 3.34Å; A502-N506 PolarHBondContact O-N 3Å; A502-N506 PolarHBondContact O-OD1 3.08Å |
| 503 | M | 60 | Low | 57.1 | Low | 133 Ų | 133 | 131.1 Ų | 131.1 | 66% | 0.655 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -62.9 | -41.5 | 173.8 | -73.7 | 172.3 | 155 | 0 | 0 | 112.3 | L499 S507 | L499-M503 WeakPolarHBondContact O-CB 3.2Å; L499-M503 WeakPolarHBondContact O-CG 3.42Å; L499-M503 PolarHBondContact O-N 3.44Å; M503-S507 WeakPolarHBondContact O-CB 3.42Å; M503-S507 PolarHBondContact O-N 2.83Å; M503-S507 VanDerWaalsContact O-N 3.13Å |
| 504 | A | 54.6 | Low | 55.1 | Low | 57 Ų | 57 | 133.1 Ų | 133.1 | 47% | 0.471 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -67.5 | -34.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | H500 A501 S507 | H500-A504 VanDerWaalsContact O-CB 3.25Å; H500-A504 WeakPolarHBondContact O-CB 3.26Å; H500-A504 PolarHBondContact O-N 2.95Å; A501-A504 PolarHBondContact O-N 3.13Å; A504-S507 PolarHBondContact O-N 3.32Å |
| 505 | N | 49.1 | Very low | 52.8 | Low | 130 Ų | 130 | 131.3 Ų | 131.3 | 70% | 0.695 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -78 | -30.6 | 177.7 | -71.1 | -8.5 | 0 | 0 | 0 | 112.8 | A501 A502 S507 | A501-N505 VanDerWaalsContact O-CB 3.29Å; A501-N505 WeakPolarHBondContact O-CB 3.48Å; A501-N505 PolarHBondContact O-N 3.47Å; A501-N505 PolarHBondContact O-ND2 3.42Å; A501-N505 PolarHBondContact O-OD1 3.12Å; A502-N505 PolarHBondContact O-N 2.79Å; N505-S507 VanDerWaalsContact C-N 3.25Å |
| 506 | N | 46.8 | Very low | 50.6 | Low | 141 Ų | 141 | 128.3 Ų | 128.3 | 75% | 0.754 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -79.2 | -7.2 | 172 | -71.8 | 9.6 | 0 | 0 | 0 | 112.7 | A502 R508 | A502-N506 WeakPolarHBondContact O-CB 3.34Å; A502-N506 PolarHBondContact O-N 3Å; A502-N506 PolarHBondContact O-OD1 3.08Å; N506-R508 PolarHBondContact O-N 3.12Å |
| 507 | S | 40.5 | Very low | 48.2 | Very low | 93 Ų | 93 | 130.9 Ų | 130.9 | 65% | 0.65 | 70% | 0.7 | S | S | * | * | | | trans | -82.7 | 53.6 | 174.9 | -175.1 | 0 | 0 | 0 | 0 | 112 | M503 A504 N505 | M503-S507 WeakPolarHBondContact O-CB 3.42Å; M503-S507 PolarHBondContact O-N 2.83Å; M503-S507 VanDerWaalsContact O-N 3.13Å; A504-S507 PolarHBondContact O-N 3.32Å; N505-S507 VanDerWaalsContact C-N 3.25Å |
| 508 | R | 41.6 | Very low | 46 | Very low | 211 Ų | 211 | 127.6 Ų | 127.6 | 80% | 0.796 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -137.5 | 90 | 169.3 | -104.4 | -172.4 | 164.6 | 116.1 | -0.8 | 110.9 | N506 | N506-R508 PolarHBondContact O-N 3.12Š|
| 509 | D | 33.7 | Very low | 43.9 | Very low | 144 Ų | 144 | 124.2 Ų | 124.2 | 77% | 0.77 | 71% | 0.709 | S | S | * | * | | | trans | 48.7 | 83.4 | 145.4 | -47.1 | -41.2 | 0 | 0 | 0 | 118.3 | | |
| 510 | Y | 32.9 | Very low | 41.9 | Very low | 235 Ų | 235 | 127.5 Ų | 127.5 | 92% | 0.922 | 72% | 0.722 | S | S | * | * | | | trans | -116.9 | 75.4 | 141.8 | -88 | -83.1 | 0 | 0 | 0 | 109.3 | L512 | Y510-L512 PolarHBondContact O-N 3.46Š|
| 511 | G | 31.2 | Very low | 40.6 | Very low | 76 Ų | 76 | 126.3 Ų | 126.3 | 78% | 0.784 | 73% | 0.726 | S | S | * | * | | | trans | -77.7 | 107.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | N513 | G511-N513 PolarHBondContact O-N 3.09Š|
| 512 | L | 36.4 | Very low | 38.8 | Very low | 157 Ų | 157 | 128.7 Ų | 128.7 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | | | trans | -71 | 114.8 | 172.5 | -72.4 | 174.7 | 0 | 0 | 0 | 109.9 | Y510 T514 | Y510-L512 PolarHBondContact O-N 3.46Å; L512-T514 PolarHBondContact O-N 2.81Å; L512-T514 VanDerWaalsContact O-N 3.17Å |
| 513 | N | 29.4 | Very low | 37.1 | Very low | 166 Ų | 166 | 132.9 Ų | 132.9 | 89% | 0.888 | 76% | 0.761 | S | S | * | * | | | trans | -83.1 | 92.3 | -179 | -139.2 | 0.3 | 0 | 0 | 0 | 109.7 | G511 | G511-N513 PolarHBondContact O-N 3.09Š|
| 514 | T | 35.5 | Very low | 35.6 | Very low | 123 Ų | 123 | 131.5 Ų | 131.5 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | | | trans | -102.4 | 104.9 | 174.9 | 47.7 | 0 | 0 | 0 | 0 | 110.6 | L512 | L512-T514 PolarHBondContact O-N 2.81Å; L512-T514 VanDerWaalsContact O-N 3.17Å |
| 515 | S | 31.9 | Very low | 34.4 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | | | trans | -152.3 | 139 | 168.8 | -81.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 516 | A | 33.8 | Very low | 33.4 | Very low | 87 Ų | 87 | 136.3 Ų | 136.3 | 72% | 0.719 | 78% | 0.778 | S | S | * | * | | | trans | -74.9 | 154.4 | -163 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 517 | M | 27.3 | Very low | 32.5 | Very low | 192 Ų | 192 | 135.7 Ų | 135.7 | 95% | 0.946 | 78% | 0.779 | S | S | * | * | | | trans | -121.4 | 139.7 | 146.8 | -82.6 | -73.1 | 103.1 | 0 | 0 | 108.4 | | |
| 518 | S | 30.8 | Very low | 31.8 | Very low | 115 Ų | 115 | 137.2 Ų | 137.2 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | -126.8 | 128.7 | -177.4 | 177.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 519 | S | 31.1 | Very low | 31.3 | Very low | 119 Ų | 119 | 132.6 Ų | 132.6 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | | | trans | -154.8 | 97.4 | 166.1 | 54.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 520 | Q | 34.1 | Very low | 31.2 | Very low | 163 Ų | 163 | 131.7 Ų | 131.7 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | | | trans | -68.3 | 155.4 | 156 | -97.4 | -95.9 | -19.5 | 0 | 0 | 109.3 | | |
| 521 | P | 40.9 | Very low | 31.1 | Very low | 110 Ų | 110 | 126.8 Ų | 126.8 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | | | | -151.1 | 140.6 | 84.1 | 37.7 | -18.8 | 0 | 0 | 0 | 118 | | |
| 522 | S | 28.4 | Very low | 31.2 | Very low | 93 Ų | 93 | 130.8 Ų | 130.8 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | | | trans | 62.7 | 157.1 | 145.7 | 64.4 | 0 | 0 | 0 | 0 | 118 | | |
| 523 | V | 28.1 | Very low | 30.7 | Very low | 125 Ų | 125 | 129.8 Ų | 129.8 | 76% | 0.758 | 78% | 0.775 | S | S | * | * | | | cis | -144.9 | 162.9 | 36.1 | 168.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 524 | T | 29 | Very low | 30.8 | Very low | 105 Ų | 105 | 129.4 Ų | 129.4 | 64% | 0.644 | 77% | 0.768 | S | S | * | * | | | trans | -46.1 | 167.3 | 171.6 | 53.6 | 0 | 0 | 0 | 0 | 117.4 | | |
| 525 | Q | 30.6 | Very low | 30.7 | Very low | 169 Ų | 169 | 129.7 Ų | 129.7 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | | | cis | -164.9 | 147.2 | -7.7 | -109.8 | 170.6 | 20.2 | 0 | 0 | 111 | | |
| 526 | T | 27.3 | Very low | 30.6 | Very low | 119 Ų | 119 | 130.6 Ų | 130.6 | 73% | 0.73 | 77% | 0.77 | S | S | * | * | | | trans | 26.9 | 147.1 | 134.3 | -16.9 | 0 | 0 | 0 | 0 | 125.6 | | |
| 527 | V | 28.3 | Very low | 31 | Very low | 128 Ų | 128 | 132.5 Ų | 132.5 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | | | trans | 78.1 | 121.4 | 155.2 | -142.1 | 0 | 0 | 0 | 0 | 121 | | |
| 528 | V | 26.6 | Very low | 31.2 | Very low | 125 Ų | 125 | 127.7 Ų | 127.7 | 76% | 0.758 | 77% | 0.766 | S | S | * | * | | | | 158.3 | 143.9 | 117.8 | 164.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 529 | S | 29.7 | Very low | 31.1 | Very low | 114 Ų | 114 | 128.2 Ų | 128.2 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | | | trans | -135 | 132.4 | 176 | -49.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 530 | T | 31.9 | Very low | 31.1 | Very low | 125 Ų | 125 | 129.5 Ų | 129.5 | 77% | 0.767 | 76% | 0.76 | S | S | * | * | | | trans | -161.8 | 119.7 | 159.5 | 40.7 | 0 | 0 | 0 | 0 | 107.7 | | |
| 531 | V | 31.7 | Very low | 30.8 | Very low | 132 Ų | 132 | 129.6 Ų | 129.6 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | | | | 78.5 | 144.7 | 69.9 | -169.9 | 0 | 0 | 0 | 0 | 112.8 | | |
| 532 | I | 32.9 | Very low | 30.1 | Very low | 159 Ų | 159 | 131.4 Ų | 131.4 | 82% | 0.815 | 76% | 0.764 | S | S | * | * | | | trans | 83.6 | 137.2 | 174.2 | -49.4 | -173.1 | 0 | 0 | 0 | 116.2 | | |
| 533 | D | 26.4 | Very low | 30.6 | Very low | 136 Ų | 136 | 132.5 Ų | 132.5 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | cis | -169.6 | 172.8 | -34.7 | -145.1 | -25.1 | 0 | 0 | 0 | 111.1 | | |
| 534 | E | 31.4 | Very low | 30.4 | Very low | 158 Ų | 158 | 133.7 Ų | 133.7 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | | | trans | 68.9 | 151 | 143.9 | -105.5 | -176.2 | -172.6 | 0 | 0 | 125.9 | | |
| 535 | T | 32.2 | Very low | 31.1 | Very low | 130 Ų | 130 | 133.6 Ų | 133.6 | 80% | 0.798 | 77% | 0.767 | S | S | * | * | | | trans | 81 | 103.5 | 157.9 | 56.6 | 0 | 0 | 0 | 0 | 122.9 | | |
| 536 | V | 30.2 | Very low | 31.1 | Very low | 139 Ų | 139 | 132 Ų | 132 | 84% | 0.842 | 76% | 0.763 | S | S | * | * | | | trans | -90.7 | 146.5 | 153.7 | 172.2 | 0 | 0 | 0 | 0 | 106.2 | | |
| 537 | P | 42.5 | Very low | 31.1 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | | | | -152.2 | 179 | 65 | 42.4 | -20.7 | 0 | 0 | 0 | 118.7 | | |
| 538 | A | 31.7 | Very low | 31.2 | Very low | 91 Ų | 91 | 131.4 Ų | 131.4 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | | | trans | -110.3 | 162.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 539 | T | 28.5 | Very low | 31.3 | Very low | 125 Ų | 125 | 133.9 Ų | 133.9 | 77% | 0.767 | 77% | 0.766 | S | S | * | * | | | trans | -139.1 | 110.2 | 170.6 | 52.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 540 | I | 30.5 | Very low | 31.5 | Very low | 146 Ų | 146 | 135.6 Ų | 135.6 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | | | | 83.8 | 102.3 | 82.6 | -73.3 | 162.8 | 0 | 0 | 0 | 113 | | |
| 541 | L | 27.7 | Very low | 31.4 | Very low | 166 Ų | 166 | 138.7 Ų | 138.7 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | | | | 175.1 | 132.4 | 122.1 | -101.4 | 157.9 | 0 | 0 | 0 | 114.3 | | |
| 542 | E | 27.2 | Very low | 31.3 | Very low | 148 Ų | 148 | 137.1 Ų | 137.1 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | | | trans | -88.2 | -172.8 | 158.9 | -122.7 | -158.1 | 111 | 0 | 0 | 109.3 | | |
| 543 | P | 37.7 | Very low | 31.1 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | | | cis | -142 | -172.4 | 24 | 42.1 | -20.3 | 0 | 0 | 0 | 117.6 | | |
| 544 | Q | 25 | Very low | 31.2 | Very low | 149 Ų | 149 | 135.5 Ų | 135.5 | 70% | 0.696 | 77% | 0.769 | S | S | * | * | | | trans | -81.9 | -151.8 | 169 | -48.8 | -162.2 | 22.9 | 0 | 0 | 112 | | |
| 545 | P | 43.1 | Very low | 31.2 | Very low | 104 Ų | 104 | 134 Ų | 134 | 68% | 0.675 | 76% | 0.762 | S | S | * | * | | | cis | -142.9 | 168 | -8.8 | 26.8 | -0.4 | 0 | 0 | 0 | 120 | | |
| 546 | I | 30.1 | Very low | 31.2 | Very low | 134 Ų | 134 | 136.1 Ų | 136.1 | 69% | 0.687 | 76% | 0.76 | S | S | * | * | | | trans | 44.5 | 129.1 | 137.5 | -54 | 160.7 | 0 | 0 | 0 | 121.7 | | |
| 547 | N | 28.1 | Very low | 31.5 | Very low | 154 Ų | 154 | 137.2 Ų | 137.2 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | | | | 165.3 | 133.2 | 127.4 | -88.2 | -61.7 | 0 | 0 | 0 | 108.8 | | |
| 548 | A | 29.7 | Very low | 31 | Very low | 82 Ų | 82 | 138.1 Ų | 138.1 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | | | cis | 100.5 | 117.2 | 34.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 549 | E | 29.4 | Very low | 31 | Very low | 177 Ų | 177 | 143.1 Ų | 143.1 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | | | trans | -174 | 174.1 | 136.5 | -110.2 | -152.1 | 165.6 | 0 | 0 | 113.9 | | |
| 550 | I | 32.9 | Very low | 31.8 | Very low | 149 Ų | 149 | 142.6 Ų | 142.6 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | | | trans | -126.7 | 139.5 | -166.7 | -60.4 | 160.3 | 0 | 0 | 0 | 111.1 | | |
| 551 | K | 30.5 | Very low | 32.2 | Very low | 191 Ų | 191 | 142.2 Ų | 142.2 | 83% | 0.83 | 77% | 0.767 | S | S | * | * | | | trans | -163.7 | 166 | 146.9 | -103.3 | 133.1 | -159.9 | 154 | 0 | 112.4 | | |
| 552 | A | 29.2 | Very low | 33.2 | Very low | 99 Ų | 99 | 142.3 Ų | 142.3 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | | | trans | -140.5 | 172 | -167.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 553 | A | 28.7 | Very low | 34.2 | Very low | 99 Ų | 99 | 140.4 Ų | 140.4 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | | | trans | 109.7 | 143.4 | 153 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 554 | H | 28.9 | Very low | 34.6 | Very low | 162 Ų | 162 | 141.2 Ų | 141.2 | 75% | 0.75 | 76% | 0.759 | S | S | * | * | | | trans | 97.1 | 140 | 156.6 | -114.2 | -77.7 | 0 | 0 | 0 | 122.2 | | |
| 555 | E | 30.6 | Very low | 35.6 | Very low | 127 Ų | 127 | 140.9 Ų | 140.9 | 59% | 0.593 | 76% | 0.758 | S | S | * | * | | | trans | -77.6 | 152.2 | -164.6 | -30.4 | 146.2 | 127.4 | 0 | 0 | 114.8 | | |
| 556 | K | 34.1 | Very low | 36 | Very low | 174 Ų | 174 | 140.3 Ų | 140.3 | 76% | 0.757 | 75% | 0.752 | S | S | * | * | | | | 179 | 162.7 | 101.4 | -103.2 | 136.9 | -165.8 | 153.3 | 0 | 114.1 | | |
| 557 | N | 35.1 | Very low | 36.7 | Very low | 162 Ų | 162 | 139.2 Ų | 139.2 | 87% | 0.866 | 75% | 0.747 | S | S | * | * | | | trans | -86 | 129.9 | -177.4 | -53.5 | -70.5 | 0 | 0 | 0 | 112.8 | | |
| 558 | V | 32.7 | Very low | 37.6 | Very low | 145 Ų | 145 | 138.5 Ų | 138.5 | 88% | 0.879 | 74% | 0.742 | S | S | * | * | | | trans | -142.5 | 160.2 | 155.9 | -174.9 | 0 | 0 | 0 | 0 | 108.7 | | |
| 559 | F | 32.4 | Very low | 38.3 | Very low | 197 Ų | 197 | 141.2 Ų | 141.2 | 86% | 0.864 | 74% | 0.741 | S | S | * | * | | | trans | -76.8 | 161.6 | -173.9 | -82.7 | -100.4 | 0 | 0 | 0 | 114.6 | | |
| 560 | P | 44 | Very low | 39.1 | Very low | 114 Ų | 114 | 140.4 Ų | 140.4 | 74% | 0.74 | 74% | 0.737 | S | S | * | * | | | trans | -93.8 | 120.8 | -177 | 34.8 | -30.9 | 0 | 0 | 0 | 113.5 | | |
| 561 | D | 39.7 | Very low | 39.6 | Very low | 137 Ų | 137 | 143.8 Ų | 143.8 | 73% | 0.733 | 74% | 0.742 | S | S | * | * | | | trans | -140.7 | -17.4 | 166.7 | -123.3 | -15.3 | 0 | 0 | 0 | 113.7 | V563 | D561-V563 PolarHBondContact O-N 3.18Š|
| 562 | E | 48 | Very low | 40 | Very low | 169 Ų | 169 | 139.8 Ų | 139.8 | 79% | 0.79 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -77.6 | -16.5 | -170.5 | -64.2 | 179.1 | 123.8 | 0 | 0 | 115 | L564 Q565 T566 | E562-L564 VanDerWaalsContact C-N 3.32Å; E562-L564 PolarHBondContact O-N 3.26Å; E562-Q565 PolarHBondContact O-N 3.33Å; E562-T566 PolarHBondContact O-OG1 3.37Å |
| 563 | V | 49.5 | Very low | 40.6 | Very low | 108 Ų | 108 | 140.5 Ų | 140.5 | 66% | 0.655 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -71.8 | -25.5 | -178.9 | -178.4 | 0 | 0 | 0 | 0 | 112.4 | D561 T566 | D561-V563 PolarHBondContact O-N 3.18Å; V563-T566 PolarHBondContact O-OG1 3.31Å |
| 564 | L | 45.4 | Very low | 41.3 | Very low | 133 Ų | 133 | 145.9 Ų | 145.9 | 70% | 0.696 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -81.5 | -27.6 | 179.1 | -153.2 | 71.3 | 0 | 0 | 0 | 112.3 | E562 | E562-L564 VanDerWaalsContact C-N 3.32Å; E562-L564 PolarHBondContact O-N 3.26Å |
| 565 | Q | 46.6 | Very low | 41.5 | Very low | 142 Ų | 142 | 142.6 Ų | 142.6 | 66% | 0.664 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -67.3 | -47 | 176.9 | -157.9 | 77 | 20 | 0 | 0 | 111.1 | E562 L567 L568 | E562-Q565 PolarHBondContact O-N 3.33Å; Q565-L567 VanDerWaalsContact C-N 3.26Å; Q565-L567 PolarHBondContact O-N 3.03Å; Q565-L568 PolarHBondContact O-N 3.47Å |
| 566 | T | 50.6 | Low | 41.5 | Very low | 91 Ų | 91 | 145 Ų | 145 | 56% | 0.558 | 76% | 0.755 | S | S | * | * | H | α-helix | trans | -67.6 | -18.2 | -176.7 | 41.7 | 0 | 0 | 0 | 0 | 115.2 | E562 V563 | E562-T566 PolarHBondContact O-OG1 3.37Å; V563-T566 PolarHBondContact O-OG1 3.31Å |
| 567 | L | 44.9 | Very low | 41.4 | Very low | 112 Ų | 112 | 140.1 Ų | 140.1 | 59% | 0.586 | 75% | 0.754 | S | S | * | * | H | α-helix | trans | -85.7 | -20 | 179.2 | -96.9 | 162 | 0 | 0 | 0 | 113.9 | Q565 | Q565-L567 VanDerWaalsContact C-N 3.26Å; Q565-L567 PolarHBondContact O-N 3.03Å |
| 568 | L | 47.6 | Very low | 41.1 | Very low | 138 Ų | 138 | 141.8 Ų | 141.8 | 72% | 0.723 | 76% | 0.756 | S | S | * | * | H | α-helix | trans | -87.6 | -32.2 | 176.4 | -101 | 64.6 | 0 | 0 | 0 | 112.9 | Q565 H570 | Q565-L568 PolarHBondContact O-N 3.47Å; L568-H570 PolarHBondContact O-N 3Å |
| 569 | E | 44.3 | Very low | 41.2 | Very low | 140 Ų | 140 | 138.8 Ų | 138.8 | 65% | 0.654 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -61 | -31.8 | 178.3 | -149.3 | 84.4 | -122.2 | 0 | 0 | 112.2 | Y571 | E569-Y571 PolarHBondContact O-N 3.2Å |
| 570 | H | 46.2 | Very low | 41.2 | Very low | 160 Ų | 160 | 136.3 Ų | 136.3 | 74% | 0.741 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -6.3 | -169.3 | -115.2 | -70.8 | 0 | 0 | 0 | 116 | L568 | L568-H570 PolarHBondContact O-N 3Š|
| 571 | Y | 41.9 | Very low | 40.6 | Very low | 219 Ų | 219 | 139.5 Ų | 139.5 | 86% | 0.859 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.8 | 0.8 | -176.1 | -96.4 | -78.9 | 0 | 0 | 0 | 115.2 | E569 | E569-Y571 PolarHBondContact O-N 3.2Š|
| 572 | S | 40.3 | Very low | 40.2 | Very low | 107 Ų | 107 | 138 Ų | 138 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -106.5 | 2.5 | -170.9 | -147.4 | 0 | 0 | 0 | 0 | 115.4 | | |
| 573 | T | 41 | Very low | 39.2 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | | | trans | -124.2 | 44.6 | -161.4 | 46.8 | 0 | 0 | 0 | 0 | 115.4 | | |
| 574 | K | 42.8 | Very low | 38.4 | Very low | 212 Ų | 212 | 139.3 Ų | 139.3 | 92% | 0.922 | 75% | 0.754 | S | S | * | * | | | trans | -154.2 | 51.3 | 171.6 | -133.3 | 170.5 | -170.7 | 176.6 | 0 | 118.6 | | |
| 575 | A | 34.1 | Very low | 37.6 | Very low | 92 Ų | 92 | 139 Ų | 139 | 76% | 0.76 | 76% | 0.757 | S | S | * | * | | | trans | -156.4 | 77.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 576 | N | 31.5 | Very low | 36.9 | Very low | 179 Ų | 179 | 137 Ų | 137 | 96% | 0.957 | 76% | 0.764 | S | S | * | * | | | trans | 152.8 | 133.8 | 157.5 | -84.2 | -21.9 | 0 | 0 | 0 | 109.2 | | |
| 577 | G | 31.9 | Very low | 36.1 | Very low | 71 Ų | 71 | 139.7 Ų | 139.7 | 73% | 0.732 | 78% | 0.775 | S | S | * | * | | | cis | 168.4 | 134.8 | -10.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 578 | Q | 28.3 | Very low | 35.7 | Very low | 197 Ų | 197 | 141.2 Ų | 141.2 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | | | trans | -179.5 | 159.5 | 169.2 | -111.5 | 176.8 | -22.8 | 0 | 0 | 109.5 | | |
| 579 | S | 34.9 | Very low | 35.3 | Very low | 82 Ų | 82 | 143.3 Ų | 143.3 | 57% | 0.573 | 80% | 0.796 | S | S | * | * | | | | -154.8 | 169 | -59.5 | 61.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 580 | D | 30.8 | Very low | 34.7 | Very low | 144 Ų | 144 | 143.6 Ų | 143.6 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | | | trans | 54.8 | 90.7 | 154.2 | -44.1 | -45.5 | 0 | 0 | 0 | 120.8 | | |
| 581 | I | 32.6 | Very low | 34 | Very low | 182 Ų | 182 | 141.6 Ų | 141.6 | 93% | 0.933 | 81% | 0.806 | S | S | * | * | | | trans | -132.9 | 134.1 | 133 | -57.7 | -178 | 0 | 0 | 0 | 107.8 | | |
| 582 | S | 31 | Very low | 33.5 | Very low | 104 Ų | 104 | 137.2 Ų | 137.2 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | | | trans | -120.7 | 143.1 | -178.4 | 54.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 583 | F | 26.2 | Very low | 33.2 | Very low | 209 Ų | 209 | 137.6 Ų | 137.6 | 92% | 0.917 | 81% | 0.81 | S | S | * | * | | | trans | -155 | 163.7 | 152.3 | -118 | -79.7 | 0 | 0 | 0 | 109.1 | | |
| 584 | S | 33.1 | Very low | 32.7 | Very low | 97 Ų | 97 | 139.9 Ų | 139.9 | 68% | 0.678 | 82% | 0.816 | S | S | * | * | | | trans | -145.8 | 167.5 | -149.8 | 57.6 | 0 | 0 | 0 | 0 | 115.8 | | |
| 585 | V | 29.1 | Very low | 32.2 | Very low | 127 Ų | 127 | 135 Ų | 135 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | | | trans | 68.7 | 115.4 | 164.3 | -173.7 | 0 | 0 | 0 | 0 | 117.8 | | |
| 586 | A | 31.7 | Very low | 32.1 | Very low | 98 Ų | 98 | 138 Ų | 138 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | | | | -164.9 | 118.3 | 128.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 587 | D | 33.2 | Very low | 32.1 | Very low | 149 Ų | 149 | 136.2 Ų | 136.2 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | | | trans | -89.5 | 146.1 | 176.2 | -51.1 | -85 | 0 | 0 | 0 | 111.8 | | |
| 588 | T | 37.5 | Very low | 32.2 | Very low | 144 Ų | 144 | 138.1 Ų | 138.1 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | | | trans | -143.7 | 118.9 | 151.8 | 52.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 589 | E | 37.9 | Very low | 32.6 | Very low | 182 Ų | 182 | 132.8 Ų | 132.8 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | | | trans | -75.5 | 146.4 | 173.1 | -48.8 | 170.3 | 150.2 | 0 | 0 | 111.3 | | |
| 590 | V | 32.9 | Very low | 32.4 | Very low | 145 Ų | 145 | 135.7 Ų | 135.7 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | | | trans | -143.4 | 130.8 | 138.2 | -179.4 | 0 | 0 | 0 | 0 | 109 | | |
| 591 | T | 31.7 | Very low | 32.6 | Very low | 118 Ų | 118 | 135.3 Ų | 135.3 | 72% | 0.724 | 80% | 0.798 | S | S | * | * | | | trans | -82.3 | 152.4 | 177 | 54 | 0 | 0 | 0 | 0 | 112.9 | | |
| 592 | S | 31.7 | Very low | 32.7 | Very low | 127 Ų | 127 | 131.2 Ų | 131.2 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | | | trans | -177.1 | 122.3 | 130.1 | -99.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 593 | S | 33.8 | Very low | 32.7 | Very low | 115 Ų | 115 | 133.3 Ų | 133.3 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | trans | -107.6 | 142.6 | 170.8 | 44.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 594 | I | 29.9 | Very low | 33 | Very low | 164 Ų | 164 | 128.3 Ų | 128.3 | 84% | 0.841 | 78% | 0.78 | S | S | * | * | | | trans | -133.9 | 125.4 | 163.4 | -61.7 | -178 | 0 | 0 | 0 | 107.8 | | |
| 595 | S | 32.3 | Very low | 33.1 | Very low | 108 Ų | 108 | 128.7 Ų | 128.7 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | | | trans | -132.2 | 144.3 | 174.3 | 50.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 596 | I | 32.6 | Very low | 34.5 | Very low | 156 Ų | 156 | 128 Ų | 128 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | | | trans | -140.4 | 129.4 | 172.5 | -54.2 | -178.1 | 0 | 0 | 0 | 107.6 | | |
| 597 | N | 31.4 | Very low | 34.5 | Very low | 142 Ų | 142 | 128.9 Ų | 128.9 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | | | trans | -76.3 | 158.4 | 176.5 | -57 | -27 | 0 | 0 | 0 | 110.4 | | |
| 598 | S | 33.3 | Very low | 34.5 | Very low | 111 Ų | 111 | 130 Ų | 130 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | | | | 154 | 162.8 | 87.2 | -91.6 | 0 | 0 | 0 | 0 | 107.7 | | |
| 599 | S | 36.2 | Very low | 34.4 | Very low | 84 Ų | 84 | 127.5 Ų | 127.5 | 59% | 0.587 | 77% | 0.765 | S | S | * | * | | | cis | -167.6 | 161.9 | -15.9 | 56.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 600 | D | 32.2 | Very low | 34.1 | Very low | 144 Ų | 144 | 127.3 Ų | 127.3 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | | | trans | 65.5 | 158.2 | 159.1 | -43.3 | -44.8 | 0 | 0 | 0 | 117.4 | | |
| 601 | V | 34.1 | Very low | 34 | Very low | 135 Ų | 135 | 123.3 Ų | 123.3 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | | | cis | -137.2 | 162 | 20.4 | -168.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 602 | S | 35.5 | Very low | 34.1 | Very low | 97 Ų | 97 | 123.4 Ų | 123.4 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | | | trans | -52 | 173.1 | 172.7 | -24.2 | 0 | 0 | 0 | 0 | 115.3 | | |
| 603 | D | 30.4 | Very low | 34.2 | Very low | 148 Ų | 148 | 123.6 Ų | 123.6 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | | | cis | -164.3 | 177.5 | 18.4 | -129.5 | -50.7 | 0 | 0 | 0 | 107.7 | | |
| 604 | S | 32.4 | Very low | 34 | Very low | 104 Ų | 104 | 122 Ų | 122 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | | | cis | -157.6 | -151 | 4.5 | 66.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 605 | S | 35.3 | Very low | 34.2 | Very low | 104 Ų | 104 | 119 Ų | 119 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | trans | -150.4 | -167.6 | 172.5 | 67.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 606 | P | 57.9 | Low | 34.3 | Very low | 113 Ų | 113 | 123.1 Ų | 123.1 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | | | cis | -121.7 | -163.7 | -13.8 | 30.8 | -7.8 | 0 | 0 | 0 | 112 | | |
| 607 | V | 32.5 | Very low | 34.2 | Very low | 116 Ų | 116 | 120.3 Ų | 120.3 | 70% | 0.703 | 77% | 0.772 | S | S | * | * | | | | -172.6 | 144.5 | 73.9 | 165.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 608 | E | 32.7 | Very low | 34.7 | Very low | 172 Ų | 172 | 122.8 Ų | 122.8 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | trans | -4.7 | 165.7 | 150.7 | -55.6 | -176 | 106.4 | 0 | 0 | 122.4 | | |
| 609 | S | 35.1 | Very low | 35.4 | Very low | 93 Ų | 93 | 123 Ų | 123 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | | | cis | -178.5 | 178.9 | -20.2 | -86.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 610 | I | 33 | Very low | 36 | Very low | 178 Ų | 178 | 122.5 Ų | 122.5 | 91% | 0.913 | 77% | 0.772 | S | S | * | * | | | trans | 75.5 | 137.7 | 170.5 | -43 | 164.3 | 0 | 0 | 0 | 114.5 | | |
| 611 | G | 29.8 | Very low | 36.8 | Very low | 61 Ų | 61 | 121.5 Ų | 121.5 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | | | cis | 164 | 138.4 | -12.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 612 | S | 33.5 | Very low | 37.6 | Very low | 120 Ų | 120 | 122.3 Ų | 122.3 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | | | trans | 72 | 124.8 | 157.9 | -60.6 | 0 | 0 | 0 | 0 | 122.9 | | |
| 613 | S | 35 | Very low | 38.3 | Very low | 131 Ų | 131 | 125.4 Ų | 125.4 | 92% | 0.916 | 77% | 0.768 | S | S | * | * | | | trans | 68.9 | 145.7 | 147.5 | 76.9 | 0 | 0 | 0 | 0 | 122.4 | | |
| 614 | G | 28.9 | Very low | 39.5 | Very low | 82 Ų | 82 | 123 Ų | 123 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | | | trans | 139.7 | 144 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 615 | A | 34.3 | Very low | 41 | Very low | 99 Ų | 99 | 121.4 Ų | 121.4 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | | | trans | -128.4 | 160.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 616 | Q | 33.5 | Very low | 42.5 | Very low | 195 Ų | 195 | 122.3 Ų | 122.3 | 91% | 0.911 | 74% | 0.743 | S | S | * | * | | | trans | 82.6 | 154.5 | 169.7 | -63.5 | -162.4 | -20 | 0 | 0 | 120.3 | | |
| 617 | A | 31.8 | Very low | 43 | Very low | 98 Ų | 98 | 122.7 Ų | 122.7 | 81% | 0.81 | 74% | 0.738 | S | S | * | * | | | trans | 72.6 | 102.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 618 | Q | 40.9 | Very low | 45.1 | Very low | 193 Ų | 193 | 123.3 Ų | 123.3 | 90% | 0.902 | 73% | 0.733 | S | S | * | * | | | trans | -86 | 145.1 | 146 | -71.8 | -172 | -19.9 | 0 | 0 | 109.3 | | |
| 619 | P | 47.8 | Very low | 47.3 | Very low | 116 Ų | 116 | 121.5 Ų | 121.5 | 75% | 0.753 | 73% | 0.725 | S | S | * | * | | | | -152.2 | -168.9 | 101.6 | 40.5 | -23.7 | 0 | 0 | 0 | 112.9 | | |
| 620 | P | 49.2 | Very low | 49.2 | Very low | 73 Ų | 73 | 123.8 Ų | 123.8 | 47% | 0.474 | 72% | 0.72 | S | S | . | * | | | cis | -123.9 | 134.6 | -37 | 29 | -11.8 | 0 | 0 | 0 | 112.3 | | |
| 621 | T | 48.3 | Very low | 51.5 | Low | 123 Ų | 123 | 117.9 Ų | 117.9 | 76% | 0.755 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -79.6 | -24.5 | 179.2 | 39.8 | 0 | 0 | 0 | 0 | 115 | K623 V624 | T621-K623 VanDerWaalsContact C-N 3.3Å; T621-K623 PolarHBondContact O-N 3.08Å; T621-V624 PolarHBondContact O-N 3.33Å; T621-V624 VanDerWaalsContact O-N 3.17Å |
| 622 | E | 51.9 | Low | 54 | Low | 152 Ų | 152 | 122.4 Ų | 122.4 | 71% | 0.71 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -58.3 | -35.6 | -171.6 | -61.8 | 175.7 | 129.4 | 0 | 0 | 114.2 | V624 S625 L626 | E622-V624 PolarHBondContact O-N 3.34Å; E622-S625 PolarHBondContact O-N 3.33Å; E622-S625 VanDerWaalsContact O-N 3.14Å; E622-L626 PolarHBondContact O-N 3.08Å |
| 623 | K | 50.1 | Low | 56.6 | Low | 163 Ų | 163 | 123.1 Ų | 123.1 | 71% | 0.709 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -63.1 | -27.1 | -178.1 | -70 | -172.9 | 177.2 | -178.2 | 0 | 113.3 | T621 L627 | T621-K623 VanDerWaalsContact C-N 3.3Å; T621-K623 PolarHBondContact O-N 3.08Å; K623-L627 WeakPolarHBondContact O-CB 3.43Å; K623-L627 PolarHBondContact O-N 3.34Å |
| 624 | V | 54.9 | Low | 58.9 | Low | 98 Ų | 98 | 120.7 Ų | 120.7 | 59% | 0.594 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -75.9 | -42.8 | 176 | -176.6 | 0 | 0 | 0 | 0 | 110.2 | T621 E622 L627 Q628 | T621-V624 PolarHBondContact O-N 3.33Å; T621-V624 VanDerWaalsContact O-N 3.17Å; E622-V624 PolarHBondContact O-N 3.34Å; V624-L627 PolarHBondContact O-N 3.32Å; V624-Q628 WeakPolarHBondContact O-CB 3.17Å; V624-Q628 PolarHBondContact O-N 3.41Å |
| 625 | S | 64.5 | Low | 61.3 | Low | 70 Ų | 70 | 122.9 Ų | 122.9 | 49% | 0.49 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -61.9 | -46.2 | 178.4 | -160.2 | 0 | 0 | 0 | 0 | 111.7 | E622 L627 Q628 E629 | E622-S625 PolarHBondContact O-N 3.33Å; E622-S625 VanDerWaalsContact O-N 3.14Å; S625-L627 VanDerWaalsContact C-N 3.33Å; S625-L627 PolarHBondContact O-N 3.5Å; S625-Q628 CarbonylContact O-C 3.58Å; S625-Q628 PolarHBondContact O-N 3.18Å; S625-Q628 VanDerWaalsContact O-N 3.08Å; S625-E629 PolarHBondContact O-N 2.74Å |
| 626 | L | 66.4 | Low | 63.5 | Low | 122 Ų | 122 | 123.4 Ų | 123.4 | 64% | 0.639 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -65.4 | -36.6 | -179.8 | -154.5 | 160.5 | 0 | 0 | 0 | 111.7 | E622 Q628 E629 Y630 | E622-L626 PolarHBondContact O-N 3.08Å; L626-Q628 VanDerWaalsContact C-N 3.32Å; L626-Q628 PolarHBondContact O-N 2.91Å; L626-E629 PolarHBondContact O-N 3.01Å; L626-Y630 WeakPolarHBondContact O-CB 3.46Å; L626-Y630 PolarHBondContact O-N 3.37Å |
| 627 | L | 69.6 | Low | 65.4 | Low | 122 Ų | 122 | 116.2 Ų | 116.2 | 64% | 0.639 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -67.6 | -32.4 | 173.4 | -161.3 | 73.9 | 0 | 0 | 0 | 112.3 | K623 V624 S625 S631 | K623-L627 WeakPolarHBondContact O-CB 3.43Å; K623-L627 PolarHBondContact O-N 3.34Å; V624-L627 PolarHBondContact O-N 3.32Å; S625-L627 VanDerWaalsContact C-N 3.33Å; S625-L627 PolarHBondContact O-N 3.5Å; L627-S631 PolarHBondContact O-N 3.23Å; L627-S631 PolarHBondContact O-OG 3Å |
| 628 | Q | 75.4 | Confident | 67.5 | Low | 129 Ų | 129 | 117 Ų | 117 | 60% | 0.603 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -78.8 | -29.7 | 177.9 | -169.9 | 165 | 1.1 | 0 | 0 | 113 | V624 S625 L626 S631 K632 | V624-Q628 WeakPolarHBondContact O-CB 3.17Å; V624-Q628 PolarHBondContact O-N 3.41Å; S625-Q628 CarbonylContact O-C 3.58Å; S625-Q628 PolarHBondContact O-N 3.18Å; S625-Q628 VanDerWaalsContact O-N 3.08Å; L626-Q628 VanDerWaalsContact C-N 3.32Å; L626-Q628 PolarHBondContact O-N 2.91Å; Q628-S631 PolarHBondContact O-OG 3.24Å; Q628-S631 VanDerWaalsContact O-OG 3.08Å; Q628-K632 WeakPolarHBondContact O-CB 3.49Å; Q628-K632 PolarHBondContact O-N 2.92Å |
| 629 | E | 78.9 | Confident | 69.1 | Low | 133 Ų | 133 | 113.4 Ų | 113.4 | 62% | 0.621 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -69.1 | -41.2 | 166.7 | -70.4 | -174.5 | 137.4 | 0 | 0 | 111.3 | S625 L626 S631 K632 F633 | S625-E629 PolarHBondContact O-N 2.74Å; L626-E629 PolarHBondContact O-N 3.01Å; E629-S631 PolarHBondContact O-N 3.11Å; E629-K632 PolarHBondContact O-N 3.22Å; E629-F633 WeakPolarHBondContact O-CB 3.39Å; E629-F633 PolarHBondContact O-N 3.34Å |
| 630 | Y | 75.3 | Confident | 69.9 | Low | 142 Ų | 142 | 115 Ų | 115 | 56% | 0.557 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.2 | -40.7 | 176.8 | -174.1 | -109 | 0 | 0 | 0 | 112.8 | L626 F633 L634 | L626-Y630 WeakPolarHBondContact O-CB 3.46Å; L626-Y630 PolarHBondContact O-N 3.37Å; Y630-F633 PolarHBondContact O-N 3.49Å; Y630-L634 HydrophobicContact CD1-CD1 3.9Å; Y630-L634 HydrophobicContact CE1-CD1 3.5Å; Y630-L634 HydrophobicContact CE1-CG 4.36Å; Y630-L634 WeakPolarHBondContact O-CG 3.33Å; Y630-L634 PolarHBondContact O-N 3.47Å |
| 631 | S | 80.6 | Confident | 70.6 | Confident | 54 Ų | 54 | 115.1 Ų | 115.1 | 38% | 0.378 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67.6 | -37.9 | 174.9 | 66.6 | 0 | 0 | 0 | 0 | 112.5 | L627 Q628 E629 L634 Q635 | L627-S631 PolarHBondContact O-N 3.23Å; L627-S631 PolarHBondContact O-OG 3Å; Q628-S631 PolarHBondContact O-OG 3.24Å; Q628-S631 VanDerWaalsContact O-OG 3.08Å; E629-S631 PolarHBondContact O-N 3.11Å; S631-L634 PolarHBondContact O-N 2.96Å; S631-Q635 WeakPolarHBondContact O-CG 3.48Å; S631-Q635 PolarHBondContact O-N 3.34Å |
| 632 | K | 83.1 | Confident | 71.2 | Confident | 155 Ų | 155 | 112.2 Ų | 112.2 | 67% | 0.674 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.7 | -37.5 | 175.4 | -161.9 | 174.5 | -173 | -179.6 | 0 | 112.2 | Q628 E629 Q635 Q636 | Q628-K632 WeakPolarHBondContact O-CB 3.49Å; Q628-K632 PolarHBondContact O-N 2.92Å; E629-K632 PolarHBondContact O-N 3.22Å; K632-Q635 PolarHBondContact O-N 3.17Å; K632-Q636 PolarHBondContact O-N 3.37Å |
| 633 | F | 88.7 | Confident | 71.3 | Confident | 136 Ų | 136 | 110.4 Ų | 110.4 | 60% | 0.596 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.5 | -44.6 | 171.9 | -178.6 | -96.3 | 0 | 0 | 0 | 111.9 | E629 Y630 Q635 Q636 A637 | E629-F633 WeakPolarHBondContact O-CB 3.39Å; E629-F633 PolarHBondContact O-N 3.34Å; Y630-F633 PolarHBondContact O-N 3.49Å; F633-Q635 PolarHBondContact O-N 3Å; F633-Q636 PolarHBondContact O-N 3.28Å; F633-A637 PolarHBondContact O-N 3.43Å |
| 634 | L | 82.5 | Confident | 71.3 | Confident | 79 Ų | 79 | 107.7 Ų | 107.7 | 41% | 0.414 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61 | -41.4 | 175.1 | -80.7 | 168.4 | 0 | 0 | 0 | 112.5 | Y630 S631 A637 L638 | Y630-L634 HydrophobicContact CD1-CD1 3.9Å; Y630-L634 HydrophobicContact CE1-CD1 3.5Å; Y630-L634 HydrophobicContact CE1-CG 4.36Å; Y630-L634 WeakPolarHBondContact O-CG 3.33Å; Y630-L634 PolarHBondContact O-N 3.47Å; S631-L634 PolarHBondContact O-N 2.96Å; L634-A637 PolarHBondContact O-N 3.44Å; L634-L638 WeakPolarHBondContact O-CG 3.26Å; L634-L638 PolarHBondContact O-N 3Å |
| 635 | Q | 79.1 | Confident | 70.9 | Confident | 129 Ų | 129 | 107.9 Ų | 107.9 | 60% | 0.603 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.3 | -44.6 | 173.8 | -75.2 | 176.8 | -32.4 | 0 | 0 | 111.6 | S631 K632 F633 A637 L638 E639 | S631-Q635 WeakPolarHBondContact O-CG 3.48Å; S631-Q635 PolarHBondContact O-N 3.34Å; K632-Q635 PolarHBondContact O-N 3.17Å; F633-Q635 PolarHBondContact O-N 3Å; Q635-A637 VanDerWaalsContact C-N 3.26Å; Q635-A637 PolarHBondContact O-N 3.33Å; Q635-L638 PolarHBondContact O-N 3.45Å; Q635-E639 WeakPolarHBondContact O-CB 3.1Å; Q635-E639 PolarHBondContact O-N 3.25Å |
| 636 | Q | 82 | Confident | 69.9 | Low | 109 Ų | 109 | 108 Ų | 108 | 51% | 0.509 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.6 | -26.2 | 177.3 | -157.9 | -175.4 | 30 | 0 | 0 | 113.4 | K632 F633 R640 | K632-Q636 PolarHBondContact O-N 3.37Å; F633-Q636 PolarHBondContact O-N 3.28Å; Q636-R640 PolarHBondContact O-N 3.49Å |
| 637 | A | 72.3 | Confident | 68.9 | Low | 45 Ų | 45 | 110.7 Ų | 110.7 | 37% | 0.372 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -71.9 | -44.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | F633 L634 Q635 R640 T641 | F633-A637 PolarHBondContact O-N 3.43Å; L634-A637 PolarHBondContact O-N 3.44Å; Q635-A637 VanDerWaalsContact C-N 3.26Å; Q635-A637 PolarHBondContact O-N 3.33Å; A637-R640 PolarHBondContact O-N 2.87Å; A637-T641 PolarHBondContact O-N 3.01Å; A637-T641 VanDerWaalsContact O-N 3.08Å |
| 638 | L | 75.3 | Confident | 67.8 | Low | 115 Ų | 115 | 111.1 Ų | 111.1 | 60% | 0.602 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.1 | -41.4 | 177 | -74.8 | 165.2 | 0 | 0 | 0 | 112.3 | L634 Q635 R640 T641 S642 | L634-L638 WeakPolarHBondContact O-CG 3.26Å; L634-L638 PolarHBondContact O-N 3Å; Q635-L638 PolarHBondContact O-N 3.45Å; L638-R640 PolarHBondContact O-N 3.14Å; L638-T641 WeakPolarHBondContact CA-OG1 3.43Å; L638-T641 PolarHBondContact O-N 3.19Å; L638-T641 VanDerWaalsContact O-N 3.08Å; L638-T641 PolarHBondContact O-OG1 3.29Å; L638-S642 PolarHBondContact O-N 3.08Å; L638-S642 PolarHBondContact O-OG 3.02Å |
| 639 | E | 74.3 | Confident | 66.2 | Low | 117 Ų | 117 | 110.2 Ų | 110.2 | 55% | 0.547 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -57.9 | -36.1 | 173.7 | -156.5 | 76.9 | -124.5 | 0 | 0 | 112.1 | Q635 S642 Q643 | Q635-E639 WeakPolarHBondContact O-CB 3.1Å; Q635-E639 PolarHBondContact O-N 3.25Å; E639-S642 PolarHBondContact O-OG 2.88Å; E639-Q643 VanDerWaalsContact O-CG 3.26Å; E639-Q643 WeakPolarHBondContact O-CG 3.43Å; E639-Q643 PolarHBondContact O-N 3.49Å |
| 640 | R | 66.3 | Low | 64.4 | Low | 148 Ų | 148 | 108.1 Ų | 108.1 | 56% | 0.558 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -77.5 | -26.6 | 175.5 | -76.5 | -173.9 | 169.9 | 109.9 | -2.3 | 113.3 | Q636 A637 L638 N644 | Q636-R640 PolarHBondContact O-N 3.49Å; A637-R640 PolarHBondContact O-N 2.87Å; L638-R640 PolarHBondContact O-N 3.14Å; R640-N644 PolarHBondContact O-ND2 3.08Å |
| 641 | T | 62.9 | Low | 62.8 | Low | 76 Ų | 76 | 109.7 Ų | 109.7 | 47% | 0.466 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -72.7 | -43.7 | 171.5 | 46.7 | 0 | 0 | 0 | 0 | 112.3 | A637 L638 Q643 N644 D645 | A637-T641 PolarHBondContact O-N 3.01Å; A637-T641 VanDerWaalsContact O-N 3.08Å; L638-T641 WeakPolarHBondContact CA-OG1 3.43Å; L638-T641 PolarHBondContact O-N 3.19Å; L638-T641 VanDerWaalsContact O-N 3.08Å; L638-T641 PolarHBondContact O-OG1 3.29Å; T641-Q643 VanDerWaalsContact C-N 3.33Å; T641-Q643 PolarHBondContact O-N 3.42Å; T641-N644 PolarHBondContact O-N 3.36Å; T641-N644 VanDerWaalsContact O-N 3.09Å; T641-D645 PolarHBondContact O-N 3.49Å; T641-D645 VanDerWaalsContact O-N 3.12Å |
| 642 | S | 61.8 | Low | 60.9 | Low | 62 Ų | 62 | 111.3 Ų | 111.3 | 43% | 0.434 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.1 | -36.2 | 179.5 | 60.4 | 0 | 0 | 0 | 0 | 112.9 | L638 E639 N644 D645 S646 | L638-S642 PolarHBondContact O-N 3.08Å; L638-S642 PolarHBondContact O-OG 3.02Å; E639-S642 PolarHBondContact O-OG 2.88Å; S642-N644 VanDerWaalsContact C-N 3.32Å; S642-N644 PolarHBondContact O-N 3.34Å; S642-D645 PolarHBondContact O-N 3.17Å; S642-S646 PolarHBondContact O-N 3.47Å |
| 643 | Q | 54 | Low | 58.5 | Low | 114 Ų | 114 | 111.8 Ų | 111.8 | 53% | 0.533 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64 | -34.3 | 173.7 | -72.7 | 174.2 | 13.3 | 0 | 0 | 112.6 | E639 T641 | E639-Q643 VanDerWaalsContact O-CG 3.26Å; E639-Q643 WeakPolarHBondContact O-CG 3.43Å; E639-Q643 PolarHBondContact O-N 3.49Å; T641-Q643 VanDerWaalsContact C-N 3.33Å; T641-Q643 PolarHBondContact O-N 3.42Å |
| 644 | N | 49.3 | Very low | 55.7 | Low | 107 Ų | 107 | 110.6 Ų | 110.6 | 57% | 0.572 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -73.3 | -39.2 | 176.2 | -75 | -42.8 | 0 | 0 | 0 | 112.7 | R640 T641 S642 S646 Y647 | R640-N644 PolarHBondContact O-ND2 3.08Å; T641-N644 PolarHBondContact O-N 3.36Å; T641-N644 VanDerWaalsContact O-N 3.09Å; S642-N644 VanDerWaalsContact C-N 3.32Å; S642-N644 PolarHBondContact O-N 3.34Å; N644-S646 PolarHBondContact O-N 3.03Å; N644-Y647 PolarHBondContact O-N 2.57Å; N644-Y647 VanDerWaalsContact O-N 3.13Å |
| 645 | D | 46.5 | Very low | 53.1 | Low | 102 Ų | 102 | 114.9 Ų | 114.9 | 55% | 0.545 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -64.7 | -28 | 175.9 | -72.3 | -32.7 | 0 | 0 | 0 | 112.6 | T641 S642 Y647 L648 T649 | T641-D645 PolarHBondContact O-N 3.49Å; T641-D645 VanDerWaalsContact O-N 3.12Å; S642-D645 PolarHBondContact O-N 3.17Å; D645-Y647 VanDerWaalsContact C-N 3.33Å; D645-Y647 PolarHBondContact O-N 3.03Å; D645-L648 PolarHBondContact O-N 3.14Å; D645-T649 PolarHBondContact O-N 3Å; D645-T649 VanDerWaalsContact O-N 3.16Å; D645-T649 PolarHBondContact O-OG1 3.17Å |
| 646 | S | 44.1 | Very low | 50.9 | Low | 72 Ų | 72 | 114.1 Ų | 114.1 | 50% | 0.503 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -65 | -31.3 | 173.1 | -170.3 | 0 | 0 | 0 | 0 | 113.5 | S642 N644 T649 S650 | S642-S646 PolarHBondContact O-N 3.47Å; N644-S646 PolarHBondContact O-N 3.03Å; S646-T649 PolarHBondContact O-OG1 3.4Å; S646-S650 PolarHBondContact O-N 3.22Å; S646-S650 PolarHBondContact O-OG 3.2Å |
| 647 | Y | 44.6 | Very low | 48.3 | Very low | 179 Ų | 179 | 114.5 Ų | 114.5 | 70% | 0.702 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -76.1 | -26.7 | 175.8 | -90.4 | -88.6 | 0 | 0 | 0 | 113.5 | N644 D645 S650 | N644-Y647 PolarHBondContact O-N 2.57Å; N644-Y647 VanDerWaalsContact O-N 3.13Å; D645-Y647 VanDerWaalsContact C-N 3.33Å; D645-Y647 PolarHBondContact O-N 3.03Å; Y647-S650 PolarHBondContact O-OG 3.12Å |
| 648 | L | 46.4 | Very low | 46.5 | Very low | 130 Ų | 130 | 120.9 Ų | 120.9 | 68% | 0.681 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -84.1 | -29.9 | 178.3 | -66.8 | 175.6 | 0 | 0 | 0 | 113 | D645 | D645-L648 PolarHBondContact O-N 3.14Å |
| 649 | T | 42.5 | Very low | 44.5 | Very low | 111 Ų | 111 | 123 Ų | 123 | 68% | 0.681 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -81.8 | -18.8 | -179.9 | 43.9 | 0 | 0 | 0 | 0 | 114.2 | D645 S646 | D645-T649 PolarHBondContact O-N 3Å; D645-T649 VanDerWaalsContact O-N 3.16Å; D645-T649 PolarHBondContact O-OG1 3.17Å; S646-T649 PolarHBondContact O-OG1 3.4Å |
| 650 | S | 40.8 | Very low | 42.9 | Very low | 89 Ų | 89 | 123 Ų | 123 | 62% | 0.622 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -89.9 | -19.6 | -179.6 | 47.6 | 0 | 0 | 0 | 0 | 114.7 | S646 Y647 | S646-S650 PolarHBondContact O-N 3.22Å; S646-S650 PolarHBondContact O-OG 3.2Å; Y647-S650 PolarHBondContact O-OG 3.12Å |
| 651 | Q | 42.3 | Very low | 41.4 | Very low | 175 Ų | 175 | 122 Ų | 122 | 82% | 0.818 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -94.9 | 12.4 | -173 | -157.4 | 169.7 | 92.2 | 0 | 0 | 114.5 | | |
| 652 | S | 39.3 | Very low | 40 | Very low | 88 Ų | 88 | 127.1 Ų | 127.1 | 62% | 0.615 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -139 | 61.1 | -176.1 | 54.8 | 0 | 0 | 0 | 0 | 115.4 | | |
| 653 | L | 34.2 | Very low | 38.6 | Very low | 165 Ų | 165 | 128.9 Ų | 128.9 | 86% | 0.864 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -167.6 | 153.4 | 147.3 | -105.1 | 166.1 | 0 | 0 | 0 | 112.3 | | |
| 654 | S | 28.4 | Very low | 37.6 | Very low | 110 Ų | 110 | 126.8 Ų | 126.8 | 77% | 0.769 | 74% | 0.737 | S | S | * | * | | | trans | 80.6 | 71.6 | 159.8 | -54.9 | 0 | 0 | 0 | 0 | 121.5 | | |
| 655 | L | 29.5 | Very low | 36.7 | Very low | 170 Ų | 170 | 130.6 Ų | 130.6 | 89% | 0.89 | 75% | 0.752 | S | S | * | * | | | trans | -147.2 | 128.2 | 146 | -81.3 | -178.5 | 0 | 0 | 0 | 106.8 | | |
| 656 | V | 32 | Very low | 36.7 | Very low | 113 Ų | 113 | 130.4 Ų | 130.4 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | | | cis | -143 | 152.7 | -5.8 | 170.6 | 0 | 0 | 0 | 0 | 107.8 | E658 | V656-E658 HydrophobicContact CG1-CG 3.84Š|
| 657 | S | 28.6 | Very low | 36 | Very low | 116 Ų | 116 | 134.1 Ų | 134.1 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | | | trans | -137.3 | 133 | 147.1 | 65.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 658 | E | 33.6 | Very low | 35.2 | Very low | 179 Ų | 179 | 134.4 Ų | 134.4 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | | | trans | -85.1 | 155.6 | -161.7 | -59.7 | 176.2 | 127.7 | 0 | 0 | 114.5 | V656 | V656-E658 HydrophobicContact CG1-CG 3.84Š|
| 659 | N | 33.3 | Very low | 34.5 | Very low | 161 Ų | 161 | 132.8 Ų | 132.8 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | | | trans | -80.2 | 154.1 | 172.2 | -69 | -55.4 | 0 | 0 | 0 | 111.8 | | |
| 660 | P | 40.5 | Very low | 33.9 | Very low | 115 Ų | 115 | 133.2 Ų | 133.2 | 75% | 0.747 | 77% | 0.773 | S | S | * | * | | | trans | -116.8 | 112.3 | 146.7 | 33.3 | -24.1 | 0 | 0 | 0 | 112.6 | | |
| 661 | T | 34.1 | Very low | 33.3 | Very low | 129 Ų | 129 | 135 Ų | 135 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | | | trans | 48.6 | 116.2 | 137.9 | -43.4 | 0 | 0 | 0 | 0 | 120.8 | | |
| 662 | L | 35.1 | Very low | 32.9 | Very low | 183 Ų | 183 | 134.2 Ų | 134.2 | 96% | 0.958 | 77% | 0.765 | S | S | * | * | | | trans | -77.5 | 129.5 | 157.1 | -85.9 | 165.3 | 0 | 0 | 0 | 111.5 | | |
| 663 | A | 31.6 | Very low | 32.6 | Very low | 98 Ų | 98 | 138.2 Ų | 138.2 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | | | trans | -150.9 | 137.6 | 157.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 664 | G | 31.9 | Very low | 32.3 | Very low | 70 Ų | 70 | 139.1 Ų | 139.1 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | | | trans | -154.2 | 117.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 665 | Q | 30.7 | Very low | 32.3 | Very low | 187 Ų | 187 | 139 Ų | 139 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | | | trans | -156.5 | 156.3 | 149 | -92.7 | -55.5 | -71.7 | 0 | 0 | 107.2 | | |
| 666 | P | 46.8 | Very low | 32.6 | Very low | 98 Ų | 98 | 136.4 Ų | 136.4 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | | | trans | -91.5 | 174 | -168.4 | 37.4 | -36.3 | 0 | 0 | 0 | 113.5 | | |
| 667 | L | 29.9 | Very low | 33.1 | Very low | 151 Ų | 151 | 136.5 Ų | 136.5 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | | | | 177.8 | 122.6 | 128.3 | -89.9 | 165.3 | 0 | 0 | 0 | 111.2 | | |
| 668 | F | 28.3 | Very low | 33.3 | Very low | 184 Ų | 184 | 135.6 Ų | 135.6 | 81% | 0.807 | 76% | 0.763 | S | S | * | * | | | trans | 27.1 | 129.8 | 160.8 | -66 | -85.6 | 0 | 0 | 0 | 124.9 | | |
| 669 | S | 30.3 | Very low | 33.3 | Very low | 97 Ų | 97 | 137 Ų | 137 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | | | trans | 69.9 | 148.1 | 135.2 | -71.5 | 0 | 0 | 0 | 0 | 120.5 | | |
| 670 | N | 30 | Very low | 33.1 | Very low | 120 Ų | 120 | 137.2 Ų | 137.2 | 64% | 0.642 | 75% | 0.754 | S | S | * | * | | | cis | -153.4 | 160.6 | 0.1 | -125.1 | 26.7 | 0 | 0 | 0 | 112.5 | | |
| 671 | E | 30 | Very low | 32.8 | Very low | 125 Ų | 125 | 140.1 Ų | 140.1 | 58% | 0.584 | 76% | 0.755 | S | S | * | * | | | trans | 59.9 | 125.4 | 148.9 | -71.6 | 177.2 | 91.7 | 0 | 0 | 123.4 | | |
| 672 | K | 33.8 | Very low | 32.6 | Very low | 160 Ų | 160 | 140 Ų | 140 | 70% | 0.696 | 76% | 0.76 | S | S | * | * | | | | 60.1 | 148.1 | 128.1 | -60.1 | 169.9 | -172.4 | 162.1 | 0 | 118.8 | | |
| 673 | Q | 31.8 | Very low | 32.2 | Very low | 171 Ų | 171 | 134.1 Ų | 134.1 | 80% | 0.799 | 74% | 0.743 | S | S | * | * | | | cis | -155.8 | 166.7 | 8.5 | -134.3 | 160 | -13.4 | 0 | 0 | 112.9 | | |
| 674 | F | 28.1 | Very low | 32.1 | Very low | 185 Ų | 185 | 138.4 Ų | 138.4 | 81% | 0.811 | 75% | 0.749 | S | S | * | * | | | trans | -44 | 152.4 | -179.9 | -83.3 | -90.2 | 0 | 0 | 0 | 121.4 | | |
| 675 | S | 28.6 | Very low | 31.9 | Very low | 107 Ų | 107 | 140.7 Ų | 140.7 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | | | trans | 81.7 | 119.8 | 135.6 | -68.2 | 0 | 0 | 0 | 0 | 123 | | |
| 676 | S | 36 | Very low | 32.1 | Very low | 115 Ų | 115 | 137.3 Ų | 137.3 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | | | trans | -69.9 | 156.7 | 152.1 | -35.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 677 | P | 43.2 | Very low | 32.2 | Very low | 115 Ų | 115 | 137.8 Ų | 137.8 | 75% | 0.747 | 75% | 0.754 | S | S | * | * | | | | -139.8 | 143.2 | 113 | 33.7 | -20 | 0 | 0 | 0 | 112.2 | | |
| 678 | S | 31.2 | Very low | 32.2 | Very low | 98 Ų | 98 | 138.1 Ų | 138.1 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | | | cis | 97.1 | 136.9 | 46.8 | 99.6 | 0 | 0 | 0 | 0 | 114.7 | | |
| 679 | R | 34.7 | Very low | 32.3 | Very low | 207 Ų | 207 | 139.9 Ų | 139.9 | 78% | 0.781 | 76% | 0.757 | S | S | * | * | | | trans | 86.6 | 146.8 | 149.6 | -77.7 | 177.5 | 167.6 | 168.3 | -2.1 | 122.3 | | |
| 680 | F | 29.4 | Very low | 32.2 | Very low | 166 Ų | 166 | 139.8 Ų | 139.8 | 73% | 0.728 | 76% | 0.756 | S | S | * | * | | | trans | 68.5 | 153 | 161.2 | -60.8 | -53.1 | 0 | 0 | 0 | 117.9 | | |
| 681 | K | 33.8 | Very low | 32.3 | Very low | 177 Ų | 177 | 140.1 Ų | 140.1 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | | | cis | 177.4 | 138.1 | -38.4 | -121.4 | -166.1 | -168 | -177.1 | 0 | 105.9 | | |
| 682 | S | 29.6 | Very low | 32.4 | Very low | 127 Ų | 127 | 141.4 Ų | 141.4 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | | | trans | 64 | 160 | 170.9 | -152.3 | 0 | 0 | 0 | 0 | 114.9 | | |
| 683 | G | 26 | Very low | 32.3 | Very low | 59 Ų | 59 | 142.3 Ų | 142.3 | 61% | 0.608 | 78% | 0.779 | S | S | * | * | | | cis | 152.2 | 131.5 | -17.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 684 | M | 31.1 | Very low | 32.5 | Very low | 188 Ų | 188 | 142.3 Ų | 142.3 | 93% | 0.926 | 78% | 0.777 | S | S | * | * | | | trans | 75.2 | 159.7 | 169.7 | -56.5 | -179.1 | 67.3 | 0 | 0 | 119.3 | | |
| 685 | S | 27.2 | Very low | 33.5 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | | | trans | 69.1 | 109.2 | 170.6 | 62.9 | 0 | 0 | 0 | 0 | 121 | | |
| 686 | S | 34.8 | Very low | 33.7 | Very low | 115 Ų | 115 | 140.9 Ų | 140.9 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | | -82.1 | 169 | 129.4 | -34.1 | 0 | 0 | 0 | 0 | 108.1 | | |
| 687 | P | 48 | Very low | 33.5 | Very low | 109 Ų | 109 | 144.6 Ų | 144.6 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | | | | -155.6 | -176.7 | 50.4 | 39.5 | -15.5 | 0 | 0 | 0 | 119 | | |
| 688 | L | 31.3 | Very low | 32.8 | Very low | 157 Ų | 157 | 143 Ų | 143 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | | | trans | 73.8 | 156.1 | 166.6 | -46.8 | -177.7 | 0 | 0 | 0 | 116.5 | | |
| 689 | R | 29.3 | Very low | 32.7 | Very low | 222 Ų | 222 | 146.2 Ų | 146.2 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | | | cis | -155.2 | 151.5 | 12.2 | -150 | -180 | -172.3 | 165.9 | 0.9 | 112.6 | | |
| 690 | S | 29.1 | Very low | 32.6 | Very low | 95 Ų | 95 | 143.5 Ų | 143.5 | 66% | 0.664 | 78% | 0.778 | S | S | * | * | | | trans | 22.8 | 132.7 | 155.9 | 56.7 | 0 | 0 | 0 | 0 | 122.4 | | |
| 691 | T | 32.3 | Very low | 32.7 | Very low | 127 Ų | 127 | 142.4 Ų | 142.4 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | | | | -156.6 | 148.4 | 80.6 | 24.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 692 | L | 32.2 | Very low | 32.5 | Very low | 152 Ų | 152 | 137 Ų | 137 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | | | | 48.4 | 131.7 | 100.7 | -101.5 | 74.5 | 0 | 0 | 0 | 115 | | |
| 693 | E | 31.1 | Very low | 32.5 | Very low | 179 Ų | 179 | 138.6 Ų | 138.6 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | | | cis | -144.6 | -173 | 11.4 | -87.6 | -161.9 | 118.7 | 0 | 0 | 113.9 | | |
| 694 | K | 36.3 | Very low | 32.8 | Very low | 171 Ų | 171 | 140.4 Ų | 140.4 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | | | trans | -148.7 | 147.6 | 172.6 | -89.7 | -169.9 | 175.6 | -172.7 | 0 | 113.1 | | |
| 695 | P | 49 | Very low | 32.9 | Very low | 118 Ų | 118 | 139.7 Ų | 139.7 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | | | trans | -122.2 | 151.9 | 132.5 | 35.6 | -28.3 | 0 | 0 | 0 | 111.4 | | |
| 696 | H | 32.3 | Very low | 33.1 | Very low | 143 Ų | 143 | 141.7 Ų | 141.7 | 66% | 0.662 | 77% | 0.771 | S | S | * | * | | | cis | 95.4 | 156.9 | 14 | -82.8 | -97.4 | 0 | 0 | 0 | 118.9 | | |
| 697 | F | 31.4 | Very low | 33 | Very low | 193 Ų | 193 | 140.2 Ų | 140.2 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | | | trans | 76.9 | 115.3 | -174.5 | -54.2 | -76.8 | 0 | 0 | 0 | 115.3 | | |
| 698 | A | 28.1 | Very low | 32.1 | Very low | 83 Ų | 83 | 144.9 Ų | 144.9 | 69% | 0.686 | 77% | 0.771 | S | S | * | * | | | cis | 86.2 | 122 | 6.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 699 | L | 29.9 | Very low | 32.1 | Very low | 164 Ų | 164 | 142.6 Ų | 142.6 | 86% | 0.859 | 77% | 0.768 | S | S | * | * | | | trans | -158.3 | 154.6 | 158.5 | -67.4 | -176.1 | 0 | 0 | 0 | 106.8 | | |
| 700 | L | 31.8 | Very low | 32 | Very low | 150 Ų | 150 | 141.6 Ų | 141.6 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | | | cis | -156.1 | 156.9 | -28.9 | -120 | 177.9 | 0 | 0 | 0 | 107.3 | | |
| 701 | V | 32.9 | Very low | 32.2 | Very low | 144 Ų | 144 | 142.3 Ų | 142.3 | 87% | 0.873 | 78% | 0.775 | S | S | * | * | | | trans | -138.8 | 137.2 | 168.2 | 175.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 702 | G | 29.3 | Very low | 32.1 | Very low | 63 Ų | 63 | 139.8 Ų | 139.8 | 65% | 0.649 | 77% | 0.774 | S | S | * | * | | | trans | -176.8 | 147.3 | 172 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 703 | D | 29.4 | Very low | 32 | Very low | 160 Ų | 160 | 140.1 Ų | 140.1 | 86% | 0.856 | 78% | 0.777 | S | S | * | * | | | cis | -152.8 | 176.9 | -8.8 | -135.5 | -42.5 | 0 | 0 | 0 | 112.4 | | |
| 704 | S | 32.9 | Very low | 32.1 | Very low | 97 Ų | 97 | 139.2 Ų | 139.2 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | | | trans | -84.9 | 156.1 | -170.5 | -51.6 | 0 | 0 | 0 | 0 | 114.2 | | |
| 705 | Q | 33 | Very low | 32 | Very low | 173 Ų | 173 | 136.9 Ų | 136.9 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | | | trans | -172.4 | 139.8 | 139 | -107.5 | 161.8 | 85 | 0 | 0 | 114.2 | | |
| 706 | H | 31.9 | Very low | 31.4 | Very low | 160 Ų | 160 | 137.7 Ų | 137.7 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | | | trans | 54.2 | 159.5 | 152.8 | -66.9 | -56.2 | 0 | 0 | 0 | 120.8 | | |
| 707 | S | 31.4 | Very low | 32.7 | Very low | 84 Ų | 84 | 136.3 Ų | 136.3 | 59% | 0.587 | 78% | 0.779 | S | S | * | * | | | cis | -173.5 | 175.1 | -35.1 | -97.6 | 0 | 0 | 0 | 0 | 107.7 | | |
| 708 | F | 28.4 | Very low | 33.4 | Very low | 207 Ų | 207 | 132.7 Ų | 132.7 | 91% | 0.908 | 78% | 0.775 | S | S | * | * | | | trans | 76.1 | 128.8 | 167.2 | -70.4 | -80.5 | 0 | 0 | 0 | 119.8 | | |
| 709 | S | 31.9 | Very low | 33.6 | Very low | 109 Ų | 109 | 134.1 Ų | 134.1 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | | | trans | -81.1 | 158.9 | 158.9 | -39.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 710 | F | 27.1 | Very low | 33.6 | Very low | 201 Ų | 201 | 130.8 Ų | 130.8 | 88% | 0.882 | 78% | 0.777 | S | S | * | * | | | trans | -145.5 | 146.3 | 145.6 | -142 | -97.4 | 0 | 0 | 0 | 112.3 | | |
| 711 | S | 35 | Very low | 33.5 | Very low | 111 Ų | 111 | 130.4 Ų | 130.4 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | | | trans | -125.3 | 123.4 | 169.3 | 53.1 | 0 | 0 | 0 | 0 | 106.9 | | |
| 712 | G | 29.3 | Very low | 33.4 | Very low | 73 Ų | 73 | 128.7 Ų | 128.7 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | | | trans | -159.8 | 152.5 | -177 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 713 | D | 30.3 | Very low | 34.6 | Very low | 159 Ų | 159 | 131.5 Ų | 131.5 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | | | trans | -128 | 171.9 | -169 | -155.2 | -11.3 | 0 | 0 | 0 | 110.7 | | |
| 714 | E | 33.6 | Very low | 34.7 | Very low | 160 Ų | 160 | 127.4 Ų | 127.4 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | | | trans | 75.7 | 148.5 | 156.2 | -112.6 | -163.2 | 123.1 | 0 | 0 | 123.4 | | |
| 715 | T | 34.3 | Very low | 34.7 | Very low | 122 Ų | 122 | 129.8 Ų | 129.8 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | | | trans | 78.8 | 164.2 | 155.7 | 54.3 | 0 | 0 | 0 | 0 | 121.7 | | |
| 716 | T | 35.2 | Very low | 34.8 | Very low | 135 Ų | 135 | 129.2 Ų | 129.2 | 83% | 0.828 | 77% | 0.772 | S | S | * | * | | | trans | -128.9 | -179.3 | -144.1 | 8.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 717 | P | 59.1 | Low | 34.8 | Very low | 114 Ų | 114 | 127.8 Ų | 127.8 | 74% | 0.74 | 77% | 0.77 | S | S | * | * | | | trans | -92.1 | -175.5 | -152.3 | 41.1 | -41.6 | 0 | 0 | 0 | 114.9 | | |
| 718 | P | 47.6 | Very low | 34.7 | Very low | 117 Ų | 117 | 131.4 Ų | 131.4 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | | | | -147.8 | 158.7 | 99.3 | 40 | -24.8 | 0 | 0 | 0 | 117.9 | | |
| 719 | S | 30.6 | Very low | 34.9 | Very low | 113 Ų | 113 | 127.6 Ų | 127.6 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | | | trans | 36.1 | 114 | 140.9 | -59 | 0 | 0 | 0 | 0 | 124.3 | | |
| 720 | A | 30 | Very low | 35 | Very low | 95 Ų | 95 | 129 Ų | 129 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | | | | 83.8 | 168.4 | 111.8 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 721 | V | 31.1 | Very low | 35.3 | Very low | 142 Ų | 142 | 127 Ų | 127 | 86% | 0.861 | 75% | 0.751 | S | S | * | * | | | trans | 85 | 121.6 | 173.4 | -168.2 | 0 | 0 | 0 | 0 | 117.4 | | |
| 722 | S | 31.1 | Very low | 34.9 | Very low | 108 Ų | 108 | 127.5 Ų | 127.5 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | | | trans | -132.5 | -179.9 | 163 | -26.9 | 0 | 0 | 0 | 0 | 106.6 | | |
| 723 | P | 53.3 | Low | 34.9 | Very low | 122 Ų | 122 | 128.7 Ų | 128.7 | 79% | 0.792 | 75% | 0.747 | S | S | * | * | | | cis | -127.9 | -139.8 | -12 | 40.6 | -21.3 | 0 | 0 | 0 | 110.1 | | |
| 724 | A | 31.5 | Very low | 35.5 | Very low | 74 Ų | 74 | 126.2 Ų | 126.2 | 61% | 0.612 | 74% | 0.739 | S | S | * | * | | | trans | 74.3 | 148.5 | 159.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 725 | D | 33.2 | Very low | 35.2 | Very low | 146 Ų | 146 | 122.9 Ų | 122.9 | 78% | 0.781 | 73% | 0.734 | S | S | * | * | | | cis | -163.1 | 158.7 | -16.6 | -101.6 | -18 | 0 | 0 | 0 | 110.8 | | |
| 726 | E | 34 | Very low | 35.2 | Very low | 162 Ų | 162 | 125.7 Ų | 125.7 | 76% | 0.757 | 74% | 0.735 | S | S | * | * | | | trans | 52.5 | 140 | 152.4 | -56.5 | -65.3 | 68.8 | 0 | 0 | 125.5 | | |
| 727 | D | 32.4 | Very low | 35 | Very low | 129 Ų | 129 | 128.5 Ų | 128.5 | 69% | 0.69 | 74% | 0.736 | S | S | * | * | | | | 98.4 | 138.2 | 128.8 | -97.4 | -13.9 | 0 | 0 | 0 | 126.8 | | |
| 728 | F | 29.6 | Very low | 33.7 | Very low | 161 Ų | 161 | 127.6 Ų | 127.6 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | | | trans | 64.5 | 123.6 | 156.3 | -84.7 | -129.9 | 0 | 0 | 0 | 119.6 | | |
| 729 | L | 33.4 | Very low | 32.8 | Very low | 127 Ų | 127 | 129.1 Ų | 129.1 | 67% | 0.665 | 74% | 0.735 | S | S | * | * | | | | 66.8 | 135.1 | 72.7 | -75.4 | 169.1 | 0 | 0 | 0 | 112.8 | | |
| 730 | E | 34.4 | Very low | 32.9 | Very low | 138 Ų | 138 | 127.5 Ų | 127.5 | 65% | 0.645 | 72% | 0.723 | S | S | * | * | | | cis | -166.2 | -176.8 | -2.1 | -157.8 | -171.6 | -167.4 | 0 | 0 | 108.5 | | |
| 731 | Q | 32.3 | Very low | 33.1 | Very low | 158 Ų | 158 | 130 Ų | 130 | 74% | 0.738 | 73% | 0.729 | S | S | * | * | | | trans | 68.9 | 159.4 | 155.2 | -66.2 | 171.6 | 47.2 | 0 | 0 | 117.6 | | |
| 732 | V | 26.8 | Very low | 33.2 | Very low | 123 Ų | 123 | 131.7 Ų | 131.7 | 75% | 0.745 | 73% | 0.728 | S | S | * | * | | | cis | -151 | 162 | -25.4 | 123.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 733 | S | 28.7 | Very low | 33.2 | Very low | 98 Ų | 98 | 129.9 Ų | 129.9 | 69% | 0.685 | 73% | 0.726 | S | S | * | * | | | trans | -49.9 | -170 | 168.2 | -37.5 | 0 | 0 | 0 | 0 | 115.7 | | |
| 734 | P | 44.2 | Very low | 32.1 | Very low | 107 Ų | 107 | 130.7 Ų | 130.7 | 70% | 0.695 | 72% | 0.722 | S | S | * | * | | | cis | -147.1 | 165.7 | 5.7 | 44.6 | -25.3 | 0 | 0 | 0 | 119.5 | | |
| 735 | S | 27.1 | Very low | 32 | Very low | 90 Ų | 90 | 135 Ų | 135 | 63% | 0.629 | 73% | 0.734 | S | S | * | * | | | trans | 37.1 | 137.7 | 137.3 | 75 | 0 | 0 | 0 | 0 | 123.2 | | |
| 736 | K | 33.3 | Very low | 31.8 | Very low | 180 Ų | 180 | 135.6 Ų | 135.6 | 78% | 0.783 | 73% | 0.732 | S | S | * | * | | | | 174.2 | 133.4 | 103 | -97.4 | 153.6 | -171.5 | 167.4 | 0 | 115.3 | | |
| 737 | K | 31.8 | Very low | 31.6 | Very low | 194 Ų | 194 | 132.9 Ų | 132.9 | 84% | 0.843 | 73% | 0.726 | S | S | * | * | | | trans | 61.9 | 143.4 | 152.1 | -59.7 | 177.9 | 178.6 | -171.7 | 0 | 118.1 | | |
| 738 | S | 32.1 | Very low | 31.3 | Very low | 96 Ų | 96 | 134.7 Ų | 134.7 | 67% | 0.671 | 73% | 0.729 | S | S | * | * | | | cis | -163.8 | -163.8 | -17.1 | 51.9 | 0 | 0 | 0 | 0 | 107 | | |
| 739 | D | 27.9 | Very low | 31.1 | Very low | 149 Ų | 149 | 134.5 Ų | 134.5 | 80% | 0.797 | 73% | 0.73 | S | S | * | * | | | cis | -159.6 | -159.7 | 16 | -140.8 | -68.1 | 0 | 0 | 0 | 112.7 | | |
| 740 | S | 31.8 | Very low | 30.8 | Very low | 79 Ų | 79 | 134.3 Ų | 134.3 | 55% | 0.552 | 73% | 0.728 | S | S | * | * | | | trans | -74.6 | 141.6 | -166.7 | -179.6 | 0 | 0 | 0 | 0 | 118.7 | | |
| 741 | T | 34.4 | Very low | 30.5 | Very low | 148 Ų | 148 | 134 Ų | 134 | 91% | 0.908 | 73% | 0.731 | S | S | * | * | | | | -160.2 | 166.3 | 115.2 | 11 | 0 | 0 | 0 | 0 | 111.7 | | |
| 742 | Q | 34.3 | Very low | 30.4 | Very low | 177 Ų | 177 | 131.2 Ų | 131.2 | 83% | 0.827 | 73% | 0.729 | S | S | * | * | | | trans | -124.3 | 164.7 | -156.6 | -63.1 | 177.7 | -32.7 | 0 | 0 | 115.7 | | |
| 743 | G | 29.9 | Very low | 30.6 | Very low | 70 Ų | 70 | 133.7 Ų | 133.7 | 72% | 0.722 | 73% | 0.73 | S | S | * | * | | | trans | 139.3 | 80.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 744 | I | 31.9 | Very low | 31 | Very low | 138 Ų | 138 | 134.7 Ų | 134.7 | 71% | 0.708 | 73% | 0.728 | S | S | * | * | | | | 64.7 | 102.8 | 69.8 | -54 | 177.9 | 0 | 0 | 0 | 114.2 | | |
| 745 | L | 27.7 | Very low | 30.7 | Very low | 165 Ų | 165 | 134.7 Ų | 134.7 | 86% | 0.864 | 72% | 0.718 | S | S | * | * | | | trans | 177.3 | 116.9 | 145.7 | -96.3 | 169 | 0 | 0 | 0 | 104.5 | | |
| 746 | Q | 29.3 | Very low | 30.9 | Very low | 158 Ų | 158 | 136.7 Ų | 136.7 | 74% | 0.738 | 72% | 0.722 | S | S | * | * | | | cis | 78.7 | 144.8 | 32.6 | -155.7 | 163.9 | 4.8 | 0 | 0 | 115 | | |
| 747 | T | 30.9 | Very low | 30.9 | Very low | 105 Ų | 105 | 134.3 Ų | 134.3 | 64% | 0.644 | 71% | 0.712 | S | S | * | * | | | trans | -98.5 | -166.2 | -153.6 | 49.8 | 0 | 0 | 0 | 0 | 114.5 | | |
| 748 | F | 25.6 | Very low | 31.1 | Very low | 167 Ų | 167 | 132.8 Ų | 132.8 | 73% | 0.732 | 71% | 0.705 | S | S | * | * | | | trans | 85.6 | 127.8 | 176.6 | -51.7 | -74.6 | 0 | 0 | 0 | 114.5 | | |
| 749 | Q | 25 | Very low | 31.5 | Very low | 158 Ų | 158 | 132.7 Ų | 132.7 | 74% | 0.738 | 71% | 0.705 | S | S | * | * | | | cis | 108.3 | 139.1 | 9.6 | -159.3 | -149.2 | 4.6 | 0 | 0 | 114.5 | | |
| 750 | I | 26.8 | Very low | 31.7 | Very low | 123 Ų | 123 | 132.3 Ų | 132.3 | 63% | 0.631 | 70% | 0.698 | S | S | * | * | | | trans | 77.1 | 143.2 | 166.3 | -17 | 174.8 | 0 | 0 | 0 | 119.9 | | |
| 751 | N | 28.2 | Very low | 31.7 | Very low | 131 Ų | 131 | 135.9 Ų | 135.9 | 70% | 0.701 | 70% | 0.704 | S | S | * | * | | | trans | 82.2 | 122.1 | 163.3 | -61.8 | -39.2 | 0 | 0 | 0 | 117.4 | | |
| 752 | S | 31.6 | Very low | 31.8 | Very low | 99 Ų | 99 | 136.4 Ų | 136.4 | 69% | 0.692 | 70% | 0.696 | S | S | * | * | | | cis | 77.6 | 117.9 | 29.8 | -47.3 | 0 | 0 | 0 | 0 | 114.9 | | |
| 753 | F | 30.7 | Very low | 31.8 | Very low | 175 Ų | 175 | 132.1 Ų | 132.1 | 77% | 0.768 | 69% | 0.691 | S | S | * | * | | | | -157.8 | 138.9 | 105.8 | -115.3 | -117.6 | 0 | 0 | 0 | 106.9 | | |
| 754 | D | 36 | Very low | 31.9 | Very low | 120 Ų | 120 | 135.6 Ų | 135.6 | 64% | 0.642 | 70% | 0.698 | S | S | * | * | | | | 71.4 | 146.1 | 56.9 | -115.7 | -6.7 | 0 | 0 | 0 | 113.1 | | |
| 755 | Q | 38.3 | Very low | 32.2 | Very low | 106 Ų | 106 | 140.7 Ų | 140.7 | 50% | 0.495 | 71% | 0.708 | S | S | . | * | | | cis | -160.6 | 172.2 | 13.5 | -160.5 | 163.7 | 87.9 | 0 | 0 | 112 | F757 | Q755-F757 HydrophobicContact CG-CD2 4.13Å; Q755-F757 HydrophobicContact CG-CE2 4.13Å |
| 756 | N | 32.3 | Very low | 32.4 | Very low | 132 Ų | 132 | 137 Ų | 137 | 71% | 0.706 | 70% | 0.702 | S | S | * | * | | | trans | 118.9 | 131 | 148.2 | -64.3 | -43.5 | 0 | 0 | 0 | 118.8 | | |
| 757 | F | 32.8 | Very low | 32.6 | Very low | 130 Ų | 130 | 134.3 Ų | 134.3 | 57% | 0.57 | 71% | 0.707 | S | S | * | * | | | cis | -165.8 | 136.2 | -22.3 | -140.2 | -144.7 | 0 | 0 | 0 | 112.5 | Q755 | Q755-F757 HydrophobicContact CG-CD2 4.13Å; Q755-F757 HydrophobicContact CG-CE2 4.13Å |
| 758 | K | 36.3 | Very low | 32.6 | Very low | 162 Ų | 162 | 135.2 Ų | 135.2 | 70% | 0.704 | 72% | 0.717 | S | S | * | * | | | trans | 56.6 | 145.5 | 145.7 | -73.3 | -170.7 | -176.2 | 172 | 0 | 121.3 | | |
| 759 | S | 39.1 | Very low | 33 | Very low | 95 Ų | 95 | 132.1 Ų | 132.1 | 66% | 0.664 | 72% | 0.716 | S | S | * | * | | | cis | -168.3 | -156.6 | -5 | 46.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 760 | H | 32.3 | Very low | 33.1 | Very low | 140 Ų | 140 | 129.9 Ų | 129.9 | 65% | 0.648 | 72% | 0.718 | S | S | * | * | | | cis | -165 | 123.5 | 14.6 | -158.1 | -110.1 | 0 | 0 | 0 | 113.4 | | |
| 761 | F | 32.7 | Very low | 33.3 | Very low | 155 Ų | 155 | 132.6 Ų | 132.6 | 68% | 0.68 | 73% | 0.728 | S | S | * | * | | | trans | 62.5 | 147.9 | 142.7 | -82 | -122.9 | 0 | 0 | 0 | 120.8 | | |
| 762 | Q | 35.7 | Very low | 33.2 | Very low | 159 Ų | 159 | 135.7 Ų | 135.7 | 74% | 0.743 | 74% | 0.736 | S | S | * | * | | | cis | -163.3 | 154.2 | -6.3 | -147.8 | -179.9 | 0.2 | 0 | 0 | 112.8 | | |
| 763 | A | 35.5 | Very low | 33.2 | Very low | 87 Ų | 87 | 137.4 Ų | 137.4 | 72% | 0.719 | 74% | 0.743 | S | S | * | * | | | trans | 65.3 | 151.9 | 153.7 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 764 | T | 31.8 | Very low | 33.4 | Very low | 142 Ų | 142 | 135.5 Ų | 135.5 | 87% | 0.871 | 75% | 0.745 | S | S | * | * | | | cis | -149.1 | 178.5 | 2.5 | -17.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 765 | R | 37.8 | Very low | 33.3 | Very low | 245 Ų | 245 | 135.5 Ų | 135.5 | 93% | 0.925 | 75% | 0.749 | S | S | * | * | | | trans | -81.7 | -178.6 | -171.8 | -58.7 | 171.1 | 156.1 | 162.1 | -9.1 | 114.3 | | |
| 766 | A | 30.9 | Very low | 33.2 | Very low | 88 Ų | 88 | 138.3 Ų | 138.3 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | | | cis | -162 | 160.5 | 17.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 767 | A | 33.5 | Very low | 33.5 | Very low | 102 Ų | 102 | 135.8 Ų | 135.8 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | | | trans | 38.1 | 159.5 | 143.7 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 768 | S | 32.7 | Very low | 33.3 | Very low | 124 Ų | 124 | 139 Ų | 139 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | | | cis | -146.9 | 174.4 | 13.7 | 55.5 | 0 | 0 | 0 | 0 | 113.8 | | |
| 769 | S | 32.6 | Very low | 33.2 | Very low | 101 Ų | 101 | 137.9 Ų | 137.9 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | | | trans | -120.4 | 162.5 | -175.6 | 177.1 | 0 | 0 | 0 | 0 | 113 | | |
| 770 | S | 27.6 | Very low | 32.5 | Very low | 112 Ų | 112 | 138.6 Ų | 138.6 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | | | trans | -154.5 | 135.8 | 153 | -78.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 771 | Q | 31.4 | Very low | 32.4 | Very low | 180 Ų | 180 | 137.6 Ų | 137.6 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | | | trans | -128.6 | 157.6 | 169.3 | -72.7 | -179 | -28.6 | 0 | 0 | 108.2 | | |
| 772 | F | 25.6 | Very low | 32.2 | Very low | 195 Ų | 195 | 140.3 Ų | 140.3 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | | | trans | -133.3 | 138.9 | 168 | -88.7 | -83.5 | 0 | 0 | 0 | 111.6 | | |
| 773 | T | 31 | Very low | 31.7 | Very low | 136 Ų | 136 | 136.3 Ų | 136.3 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | | | trans | -133.2 | 148.8 | 167.8 | 46.7 | 0 | 0 | 0 | 0 | 108 | | |
| 774 | V | 34.7 | Very low | 31.5 | Very low | 134 Ų | 134 | 140 Ų | 140 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | | | trans | -140.5 | 139 | 176.3 | -178.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 775 | T | 34.2 | Very low | 31.2 | Very low | 121 Ų | 121 | 136.4 Ų | 136.4 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | | | trans | -134.6 | 152.3 | 174 | 48 | 0 | 0 | 0 | 0 | 109.8 | | |
| 776 | N | 36.1 | Very low | 30.9 | Very low | 165 Ų | 165 | 128.9 Ų | 128.9 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | | | trans | 59.8 | 121.1 | 174.4 | -58.7 | -6.2 | 0 | 0 | 0 | 115.9 | | |
| 777 | G | 39.7 | Very low | 30.8 | Very low | 78 Ų | 78 | 131.6 Ų | 131.6 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | -106.5 | 146.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 778 | Q | 29.1 | Very low | 30.6 | Very low | 199 Ų | 199 | 137 Ų | 137 | 93% | 0.93 | 80% | 0.802 | S | S | * | * | | | trans | -150.4 | 171.6 | 147.4 | -113.9 | 176 | -5.7 | 0 | 0 | 109.5 | | |
| 779 | V | 32.6 | Very low | 30.7 | Very low | 137 Ų | 137 | 135.7 Ų | 135.7 | 83% | 0.83 | 79% | 0.793 | S | S | * | * | | | trans | -134.7 | 136.1 | -155.1 | 176.3 | 0 | 0 | 0 | 0 | 112.9 | V781 | V779-V781 HydrophobicContact CG1-CG2 4.22Š|
| 780 | S | 25.6 | Very low | 30.5 | Very low | 111 Ų | 111 | 139.7 Ų | 139.7 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | | | trans | -178.8 | 131.4 | 148.8 | -166.5 | 0 | 0 | 0 | 0 | 107.6 | | |
| 781 | V | 29 | Very low | 30.9 | Very low | 118 Ų | 118 | 144.1 Ų | 144.1 | 72% | 0.715 | 81% | 0.806 | S | S | * | * | | | cis | 100.7 | 104.8 | 29.6 | 177.4 | 0 | 0 | 0 | 0 | 114.4 | V779 | V779-V781 HydrophobicContact CG1-CG2 4.22Š|
| 782 | R | 28.6 | Very low | 31.7 | Very low | 212 Ų | 212 | 140.5 Ų | 140.5 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | | | trans | 60 | 128.4 | 153.2 | -177.4 | 177.6 | -96.5 | -175 | -6.8 | 120.7 | H784 | R782-H784 PolarHBondContact NE-NE2 3.45Š|
| 783 | G | 26.6 | Very low | 31.8 | Very low | 76 Ų | 76 | 139 Ų | 139 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | | | trans | -139.2 | 155.3 | 152.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 784 | H | 30.2 | Very low | 31.7 | Very low | 165 Ų | 165 | 137.6 Ų | 137.6 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | | | trans | -120.3 | 158.7 | -175.1 | -94.6 | -102.4 | 0 | 0 | 0 | 112.5 | R782 | R782-H784 PolarHBondContact NE-NE2 3.45Š|
| 785 | G | 26.2 | Very low | 31.3 | Very low | 66 Ų | 66 | 142.2 Ų | 142.2 | 68% | 0.68 | 79% | 0.792 | S | S | * | * | | | trans | 146 | 107.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 786 | A | 31.5 | Very low | 31.1 | Very low | 86 Ų | 86 | 142.4 Ų | 142.4 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | | | | 68.8 | 127.4 | 53 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 787 | D | 29.2 | Very low | 30.9 | Very low | 145 Ų | 145 | 139.9 Ų | 139.9 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | | | cis | -155.8 | 170.3 | -9 | -90.2 | -37.5 | 0 | 0 | 0 | 108.2 | | |
| 788 | F | 29.4 | Very low | 30.5 | Very low | 215 Ų | 215 | 145.1 Ų | 145.1 | 94% | 0.943 | 79% | 0.787 | S | S | * | * | | | | 174.7 | 158.6 | 128.1 | -100.3 | -69.6 | 0 | 0 | 0 | 112 | | |
| 789 | S | 33 | Very low | 30.4 | Very low | 97 Ų | 97 | 142.4 Ų | 142.4 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | | | trans | -118.7 | 141.8 | -162.9 | 54.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 790 | E | 30 | Very low | 30.6 | Very low | 185 Ų | 185 | 147.5 Ų | 147.5 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | | | trans | -175 | 153.7 | 130 | -106.8 | 177.2 | 164.5 | 0 | 0 | 113.5 | | |
| 791 | F | 34.3 | Very low | 30.7 | Very low | 205 Ų | 205 | 147.7 Ų | 147.7 | 90% | 0.899 | 79% | 0.785 | S | S | * | * | | | trans | -165.1 | 164.6 | 175 | -87.8 | -63.3 | 0 | 0 | 0 | 107.2 | | |
| 792 | P | 50.1 | Low | 30.9 | Very low | 105 Ų | 105 | 149.3 Ų | 149.3 | 68% | 0.682 | 79% | 0.785 | S | S | * | * | | | cis | -131.7 | 171.3 | -5.5 | 40.2 | -25.5 | 0 | 0 | 0 | 114.9 | | |
| 793 | L | 27.5 | Very low | 31.1 | Very low | 163 Ų | 163 | 145.7 Ų | 145.7 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | | | trans | -160.3 | 107.7 | 136.6 | -138.3 | 71.1 | 0 | 0 | 0 | 115.9 | | |
| 794 | V | 27.6 | Very low | 31.4 | Very low | 106 Ų | 106 | 148.8 Ų | 148.8 | 64% | 0.642 | 78% | 0.779 | S | S | * | * | | | trans | 29.5 | 117 | 132.6 | -169.7 | 0 | 0 | 0 | 0 | 121.3 | | |
| 795 | R | 28 | Very low | 31.5 | Very low | 232 Ų | 232 | 146.3 Ų | 146.3 | 88% | 0.875 | 78% | 0.78 | S | S | * | * | | | trans | 67.6 | 163.6 | 151.6 | -69.1 | 174.8 | -171 | 177.7 | 2.4 | 117.5 | | |
| 796 | V | 29 | Very low | 31.9 | Very low | 125 Ų | 125 | 148.5 Ų | 148.5 | 76% | 0.758 | 79% | 0.785 | S | S | * | * | | | cis | -141.1 | 174.6 | -3.5 | 98 | 0 | 0 | 0 | 0 | 111.5 | | |
| 797 | T | 31.1 | Very low | 33.1 | Very low | 112 Ų | 112 | 149.4 Ų | 149.4 | 69% | 0.687 | 78% | 0.784 | S | S | * | * | | | trans | -66.2 | 147.9 | 178.7 | 46 | 0 | 0 | 0 | 0 | 116 | | |
| 798 | E | 31.2 | Very low | 33.1 | Very low | 187 Ų | 187 | 149.2 Ų | 149.2 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | | | trans | 4.5 | 125.5 | 151.7 | -56.6 | -179.7 | 134.7 | 0 | 0 | 119.2 | | |
| 799 | T | 26.9 | Very low | 33.1 | Very low | 143 Ų | 143 | 144.4 Ų | 144.4 | 88% | 0.877 | 77% | 0.771 | S | S | * | * | | | trans | -136.8 | 158.8 | 153.2 | 41.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 800 | R | 37.9 | Very low | 33 | Very low | 243 Ų | 243 | 144.6 Ų | 144.6 | 92% | 0.917 | 77% | 0.772 | S | S | * | * | | | trans | -90.2 | 143.5 | -168.3 | 176.3 | -178.6 | 178.2 | 175.8 | -1.1 | 112 | | |
| 801 | V | 27 | Very low | 33 | Very low | 116 Ų | 116 | 141.6 Ų | 141.6 | 70% | 0.703 | 77% | 0.766 | S | S | * | * | | | trans | -140.3 | 144.3 | -176.7 | 165.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 802 | Q | 33.8 | Very low | 32.9 | Very low | 152 Ų | 152 | 136.8 Ų | 136.8 | 71% | 0.71 | 76% | 0.759 | S | S | * | * | | | cis | -157.6 | 175.2 | -23.7 | -101.9 | 172.7 | -3.4 | 0 | 0 | 105.5 | | |
| 803 | L | 32.6 | Very low | 32 | Very low | 136 Ų | 136 | 140.2 Ų | 140.2 | 71% | 0.712 | 77% | 0.765 | S | S | * | * | | | | 148.9 | 144.2 | 97.5 | -75.3 | 174.7 | 0 | 0 | 0 | 104 | | |
| 804 | N | 32.2 | Very low | 32.1 | Very low | 140 Ų | 140 | 137.6 Ų | 137.6 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | | | cis | -148.5 | 177 | -2.7 | -86.7 | -30.5 | 0 | 0 | 0 | 106.3 | | |
| 805 | S | 32.1 | Very low | 32 | Very low | 114 Ų | 114 | 142.7 Ų | 142.7 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | | | cis | -153.6 | 152.7 | 14.8 | 43.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 806 | S | 35.1 | Very low | 32.3 | Very low | 111 Ų | 111 | 138.8 Ų | 138.8 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | | | trans | -79.4 | -176.2 | 168.9 | -28.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 807 | P | 58.1 | Low | 32.5 | Very low | 106 Ų | 106 | 139.5 Ų | 139.5 | 69% | 0.688 | 81% | 0.809 | S | S | * | * | | | cis | -126.2 | -142.8 | -8.8 | 41.6 | -22.3 | 0 | 0 | 0 | 110.2 | | |
| 808 | D | 27.9 | Very low | 32.6 | Very low | 141 Ų | 141 | 140.9 Ų | 140.9 | 75% | 0.754 | 82% | 0.815 | S | S | * | * | | | cis | -164.3 | 164.6 | -4.9 | -113.1 | -24.4 | 0 | 0 | 0 | 105.2 | | |
| 809 | V | 30.3 | Very low | 32.6 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 69% | 0.691 | 81% | 0.812 | S | S | * | * | | | cis | -165.8 | 160.6 | -17.1 | 70.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 810 | S | 31.1 | Very low | 33 | Very low | 101 Ų | 101 | 138.1 Ų | 138.1 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | | | trans | 65.3 | 153.2 | 166.3 | 73.8 | 0 | 0 | 0 | 0 | 118.6 | | |
| 811 | T | 29.7 | Very low | 32.7 | Very low | 121 Ų | 121 | 131.6 Ų | 131.6 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | | | cis | -167.7 | 150.9 | -33.7 | 31.2 | 0 | 0 | 0 | 0 | 107.1 | | |
| 812 | S | 31.4 | Very low | 33 | Very low | 105 Ų | 105 | 132.6 Ų | 132.6 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | | | trans | 64.4 | 156.6 | 167.4 | 77.3 | 0 | 0 | 0 | 0 | 115.8 | | |
| 813 | E | 30.6 | Very low | 33 | Very low | 177 Ų | 177 | 131.2 Ų | 131.2 | 83% | 0.827 | 82% | 0.815 | S | S | * | * | | | cis | -162.8 | 177.2 | -21.9 | -117.2 | 178.1 | 134.8 | 0 | 0 | 109.2 | | |
| 814 | S | 30.4 | Very low | 33 | Very low | 107 Ų | 107 | 130.8 Ų | 130.8 | 75% | 0.748 | 82% | 0.823 | S | S | * | * | | | trans | 74.7 | 132.5 | 155.7 | 74.1 | 0 | 0 | 0 | 0 | 121.1 | | |
| 815 | F | 26.5 | Very low | 33.1 | Very low | 214 Ų | 214 | 130.1 Ų | 130.1 | 94% | 0.939 | 83% | 0.829 | S | S | * | * | | | trans | 30.6 | 133.3 | 135.2 | -70.6 | -92.5 | 0 | 0 | 0 | 121.7 | | |
| 816 | G | 33.8 | Very low | 33.2 | Very low | 150 Ų | 150 | 131.5 Ų | 131.5 | 100% | 1.546 | 83% | 0.832 | S | S | * | * | | | trans | -175.5 | 0 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |