| 1 | M | 56.6 | Low | 55.1 | Low | 248 Ų | 248 | 138.2 Ų | 138.2 | 100% | 1.222 | 72% | 0.719 | S | S | * | * | | | | 0 | 31.3 | 0 | -83.7 | -161.3 | -99.5 | 0 | 0 | 113.7 | | |
| 2 | A | 55.1 | Low | 54.9 | Low | 83 Ų | 83 | 136.4 Ų | 136.4 | 69% | 0.686 | 72% | 0.718 | S | S | * | * | | | trans | -117.7 | -4 | 177 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 3 | A | 56.6 | Low | 54.5 | Low | 88 Ų | 88 | 137.5 Ų | 137.5 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -91.2 | -12.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 4 | L | 56.2 | Low | 54.5 | Low | 145 Ų | 145 | 139.5 Ų | 139.5 | 76% | 0.759 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -96.7 | -7.7 | -179.5 | -68.2 | 173.5 | 0 | 0 | 0 | 113.9 | | |
| 5 | F | 54.3 | Low | 54.5 | Low | 150 Ų | 150 | 142.4 Ų | 142.4 | 66% | 0.658 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -88 | -21.5 | 178.9 | -167.1 | -102.5 | 0 | 0 | 0 | 113.1 | | |
| 6 | N | 53.8 | Low | 54.2 | Low | 120 Ų | 120 | 144.6 Ų | 144.6 | 64% | 0.642 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -83.6 | -15.5 | 179.9 | -97.1 | -70.8 | 0 | 0 | 0 | 114.1 | | |
| 7 | E | 56.1 | Low | 53.9 | Low | 122 Ų | 122 | 142.5 Ų | 142.5 | 57% | 0.57 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -82.9 | -23.7 | 177.5 | -155.2 | 170.8 | 158.9 | 0 | 0 | 112.3 | | |
| 8 | S | 55.6 | Low | 53.6 | Low | 79 Ų | 79 | 141 Ų | 141 | 55% | 0.552 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -22 | 176.2 | -83.6 | 0 | 0 | 0 | 0 | 114.4 | | |
| 9 | L | 51.4 | Low | 53.1 | Low | 115 Ų | 115 | 140.3 Ų | 140.3 | 60% | 0.602 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -14.4 | 177.5 | -68.3 | -177.7 | 0 | 0 | 0 | 114 | | |
| 10 | R | 56.1 | Low | 52.5 | Low | 215 Ų | 215 | 140.8 Ų | 140.8 | 81% | 0.811 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -27.9 | 170.5 | -95.3 | -176.6 | 176.3 | 151.6 | -0.6 | 113.1 | | |
| 11 | K | 54.5 | Low | 52.3 | Low | 155 Ų | 155 | 140.7 Ų | 140.7 | 67% | 0.674 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -84.6 | -4.3 | -177.1 | -75 | -175.8 | 177.8 | 176.3 | 0 | 115.6 | | |
| 12 | V | 52.4 | Low | 51.6 | Low | 117 Ų | 117 | 137.1 Ų | 137.1 | 71% | 0.709 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -96.9 | -13.6 | 177.2 | -176.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 13 | N | 49.8 | Very low | 51.1 | Low | 150 Ų | 150 | 141.1 Ų | 141.1 | 80% | 0.802 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -101 | 19.4 | -177.8 | -164.4 | 62.8 | 0 | 0 | 0 | 114.1 | | |
| 14 | E | 55 | Low | 50.4 | Low | 166 Ų | 166 | 143.1 Ų | 143.1 | 78% | 0.776 | 73% | 0.726 | S | S | * | * | | | trans | -121.5 | 19.4 | -177.5 | -131.8 | 175.2 | -161.4 | 0 | 0 | 112.9 | | |
| 15 | Q | 53.6 | Low | 49.8 | Very low | 183 Ų | 183 | 144.2 Ų | 144.2 | 86% | 0.855 | 73% | 0.727 | S | S | * | * | | | trans | -110.3 | 59.2 | 171.1 | -126.1 | 116.9 | 61.8 | 0 | 0 | 110 | | |
| 16 | Q | 50.2 | Low | 49.3 | Very low | 178 Ų | 178 | 141.4 Ų | 141.4 | 83% | 0.832 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 125.9 | 156.8 | -143.8 | 155.4 | 13.1 | 0 | 0 | 106.2 | | |
| 17 | P | 48.8 | Very low | 48.8 | Very low | 109 Ų | 109 | 141.3 Ų | 141.3 | 71% | 0.708 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 136.8 | 177 | 25.1 | -32.3 | 0 | 0 | 0 | 108.3 | T19 | P17-T19 PolarHBondContact O-N 2.99Å; P17-T19 VanDerWaalsContact O-N 3.11Å |
| 18 | P | 49.3 | Very low | 48.4 | Very low | 115 Ų | 115 | 144.9 Ų | 144.9 | 75% | 0.747 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 122.7 | 173.8 | 24.3 | -31.7 | 0 | 0 | 0 | 108.3 | I20 | P18-I20 PolarHBondContact O-N 3.47Š|
| 19 | T | 43.5 | Very low | 47.8 | Very low | 128 Ų | 128 | 149.8 Ų | 149.8 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | | | trans | -53.3 | 109.4 | 160.1 | 35.1 | 0 | 0 | 0 | 0 | 107.4 | P17 I21 | P17-T19 PolarHBondContact O-N 2.99Å; P17-T19 VanDerWaalsContact O-N 3.11Å; T19-I21 VanDerWaalsContact C-N 3.33Å; T19-I21 PolarHBondContact O-N 3.41Å |
| 20 | I | 40.7 | Very low | 47.6 | Very low | 150 Ų | 150 | 148.2 Ų | 148.2 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | | | trans | -63.8 | 101.4 | 166.5 | -62.7 | 169 | 0 | 0 | 0 | 105.1 | P18 E22 | P18-I20 PolarHBondContact O-N 3.47Å; I20-E22 VanDerWaalsContact C-N 3.33Å; I20-E22 HydrophobicContact CG2-CG 4.13Å; I20-E22 PolarHBondContact O-N 3.47Å |
| 21 | I | 48 | Very low | 47.4 | Very low | 139 Ų | 139 | 145.4 Ų | 145.4 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | | | trans | -68.6 | 105 | 156.8 | -60.3 | 170.8 | 0 | 0 | 0 | 103.1 | T19 E23 | T19-I21 VanDerWaalsContact C-N 3.33Å; T19-I21 PolarHBondContact O-N 3.41Å; I21-E23 HydrophobicContact CG2-CG 4.29Å; I21-E23 PolarHBondContact O-N 3.1Å |
| 22 | E | 43.3 | Very low | 47 | Very low | 172 Ų | 172 | 145.4 Ų | 145.4 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | | | trans | -63.4 | 90.6 | 164.1 | -72.2 | -170.7 | 168.3 | 0 | 0 | 106.6 | I20 D24 | I20-E22 VanDerWaalsContact C-N 3.33Å; I20-E22 HydrophobicContact CG2-CG 4.13Å; I20-E22 PolarHBondContact O-N 3.47Å; E22-D24 PolarHBondContact O-N 3.13Å |
| 23 | E | 44.6 | Very low | 46.8 | Very low | 168 Ų | 168 | 144.7 Ų | 144.7 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | | | trans | -65.6 | 97 | 154.6 | -69.4 | -165.8 | 160 | 0 | 0 | 105.8 | I21 E25 | I21-E23 HydrophobicContact CG2-CG 4.29Å; I21-E23 PolarHBondContact O-N 3.1Å; E23-E25 PolarHBondContact O-N 3.36Å |
| 24 | D | 40.9 | Very low | 47.1 | Very low | 129 Ų | 129 | 143 Ų | 143 | 69% | 0.69 | 74% | 0.744 | S | S | * | * | | | trans | -59.7 | 82.3 | 166.3 | -173.8 | 17.5 | 0 | 0 | 0 | 108.1 | E22 T26 | E22-D24 PolarHBondContact O-N 3.13Å; D24-T26 PolarHBondContact O-N 3.06Å; D24-T26 PolarHBondContact O-OG1 3.2Å |
| 25 | E | 42.9 | Very low | 46.8 | Very low | 169 Ų | 169 | 142.1 Ų | 142.1 | 79% | 0.79 | 75% | 0.745 | S | S | * | * | | | trans | -65.3 | 70.2 | 162.9 | -96.6 | -97.2 | 130.9 | 0 | 0 | 107.7 | E23 P27 | E23-E25 PolarHBondContact O-N 3.36Å; E25-P27 WeakPolarHBondContact O-CD 3.36Å |
| 26 | T | 44 | Very low | 46.5 | Very low | 91 Ų | 91 | 139.3 Ų | 139.3 | 56% | 0.558 | 74% | 0.735 | S | S | * | * | | | trans | -58.2 | 119.7 | 159.1 | 32.1 | 0 | 0 | 0 | 0 | 106.7 | D24 K28 | D24-T26 PolarHBondContact O-N 3.06Å; D24-T26 PolarHBondContact O-OG1 3.2Å; T26-K28 PolarHBondContact O-N 3.02Å |
| 27 | P | 44.7 | Very low | 46.5 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 77% | 0.766 | 73% | 0.734 | S | S | * | * | | | trans | -60.5 | 114.5 | 177.8 | 21.6 | -29.6 | 0 | 0 | 0 | 107.8 | E25 R29 | E25-P27 WeakPolarHBondContact O-CD 3.36Å; P27-R29 PolarHBondContact O-N 3.27Å |
| 28 | K | 46 | Very low | 46.2 | Very low | 196 Ų | 196 | 137 Ų | 137 | 85% | 0.852 | 73% | 0.732 | S | S | * | * | | | trans | -43.9 | 108.9 | 173 | -77.4 | 173.9 | -179.9 | 166.1 | 0 | 108.1 | T26 A30 | T26-K28 PolarHBondContact O-N 3.02Å; K28-A30 PolarHBondContact O-N 3.32Å |
| 29 | R | 44.7 | Very low | 45.7 | Very low | 182 Ų | 182 | 140 Ų | 140 | 69% | 0.687 | 73% | 0.733 | S | S | * | * | | | trans | -62.2 | 81.2 | 172.2 | -171.3 | -177.5 | -163.8 | 166 | 12.3 | 108.2 | P27 N31 | P27-R29 PolarHBondContact O-N 3.27Å; R29-N31 PolarHBondContact O-N 3.07Å |
| 30 | A | 47.4 | Very low | 45.7 | Very low | 83 Ų | 83 | 139.1 Ų | 139.1 | 69% | 0.686 | 73% | 0.732 | S | S | * | * | | | trans | -64.8 | 117.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | K28 | K28-A30 PolarHBondContact O-N 3.32Š|
| 31 | N | 51.9 | Low | 46 | Very low | 155 Ų | 155 | 139.1 Ų | 139.1 | 83% | 0.829 | 73% | 0.732 | S | S | * | * | | | trans | 59 | 76.2 | 159.2 | -60.8 | -38.2 | 0 | 0 | 0 | 116.6 | R29 | R29-N31 PolarHBondContact O-N 3.07Š|
| 32 | R | 45.9 | Very low | 46 | Very low | 155 Ų | 155 | 138.2 Ų | 138.2 | 59% | 0.585 | 73% | 0.729 | S | S | * | * | | | trans | -80.8 | 120.9 | 152.3 | -163.2 | -178.4 | -138.7 | 177.3 | 1.2 | 108 | | |
| 33 | P | 47.7 | Very low | 46.1 | Very low | 102 Ų | 102 | 137.8 Ų | 137.8 | 66% | 0.662 | 73% | 0.732 | S | S | * | * | | | trans | -62.3 | 146.2 | 175.4 | 23.8 | -31 | 0 | 0 | 0 | 110.7 | D35 | P33-D35 PolarHBondContact O-N 3.26Š|
| 34 | P | 55 | Low | 45.8 | Very low | 114 Ų | 114 | 135.7 Ų | 135.7 | 74% | 0.74 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | 5.6 | -166.3 | 25.7 | -33 | 0 | 0 | 0 | 116.5 | | |
| 35 | D | 48.6 | Very low | 45.6 | Very low | 149 Ų | 149 | 138.3 Ų | 138.3 | 80% | 0.797 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | 13.8 | -168.9 | -158.9 | 21.6 | 0 | 0 | 0 | 115.9 | P33 | P33-D35 PolarHBondContact O-N 3.26Š|
| 36 | L | 49 | Very low | 45.3 | Very low | 124 Ų | 124 | 140.6 Ų | 140.6 | 65% | 0.649 | 73% | 0.729 | S | S | * | * | | | trans | -136.2 | 40 | 177.2 | -72.3 | 172.3 | 0 | 0 | 0 | 112.7 | G38 | L36-G38 PolarHBondContact O-N 3.16Š|
| 37 | Q | 49.5 | Very low | 45.2 | Very low | 173 Ų | 173 | 146.9 Ų | 146.9 | 81% | 0.808 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -81.2 | 4.4 | 170.2 | -62.1 | -163.5 | 29.4 | 0 | 0 | 113.6 | | |
| 38 | G | 42.2 | Very low | 44.6 | Very low | 64 Ų | 64 | 146.2 Ų | 146.2 | 66% | 0.66 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -99.3 | -12.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | L36 | L36-G38 PolarHBondContact O-N 3.16Š|
| 39 | F | 38.2 | Very low | 44.3 | Very low | 178 Ų | 178 | 143 Ų | 143 | 78% | 0.781 | 74% | 0.742 | S | S | * | * | | | trans | -131.1 | 74.4 | -177.7 | -65.4 | -79.9 | 0 | 0 | 0 | 110.3 | I41 | F39-I41 VanDerWaalsContact C-N 3.3Å; F39-I41 PolarHBondContact O-N 3.48Å |
| 40 | S | 43.4 | Very low | 43.6 | Very low | 110 Ų | 110 | 139.5 Ų | 139.5 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | | | trans | -64.5 | 102 | 151 | -70 | 0 | 0 | 0 | 0 | 106.1 | L42 | S40-L42 PolarHBondContact O-N 3.07Š|
| 41 | I | 47.8 | Very low | 43.3 | Very low | 150 Ų | 150 | 140.9 Ų | 140.9 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | | | trans | -56.7 | 101.8 | 154 | -78.9 | 156.6 | 0 | 0 | 0 | 103.9 | F39 D43 | F39-I41 VanDerWaalsContact C-N 3.3Å; F39-I41 PolarHBondContact O-N 3.48Å; I41-D43 PolarHBondContact O-N 3.06Å; I41-D43 VanDerWaalsContact O-N 3.08Å |
| 42 | L | 47.1 | Very low | 42.5 | Very low | 121 Ų | 121 | 140.9 Ų | 140.9 | 63% | 0.634 | 75% | 0.749 | S | S | * | * | | | trans | -50.4 | 117.5 | 161.5 | -138 | 71.8 | 0 | 0 | 0 | 103.5 | S40 E44 | S40-L42 PolarHBondContact O-N 3.07Å; L42-E44 HydrophobicContact CB-CG 4.11Å; L42-E44 HydrophobicContact CD2-CG 3.85Å; L42-E44 HydrophobicContact CG-CG 4.32Å; L42-E44 PolarHBondContact O-N 3.28Å |
| 43 | D | 45.8 | Very low | 42.5 | Very low | 162 Ų | 162 | 141.5 Ų | 141.5 | 87% | 0.866 | 76% | 0.764 | S | S | * | * | | | trans | -62 | 72.9 | 158.2 | -93.1 | -65.9 | 0 | 0 | 0 | 106 | I41 K45 | I41-D43 PolarHBondContact O-N 3.06Å; I41-D43 VanDerWaalsContact O-N 3.08Å; D43-K45 PolarHBondContact O-N 3.02Å |
| 44 | E | 38.3 | Very low | 42.4 | Very low | 125 Ų | 125 | 141.9 Ų | 141.9 | 58% | 0.584 | 77% | 0.77 | S | S | * | * | | | trans | -66.6 | 86.3 | 162.6 | -86.9 | 178.6 | 171.8 | 0 | 0 | 104.5 | L42 W46 | L42-E44 HydrophobicContact CB-CG 4.11Å; L42-E44 HydrophobicContact CD2-CG 3.85Å; L42-E44 HydrophobicContact CG-CG 4.32Å; L42-E44 PolarHBondContact O-N 3.28Å; E44-W46 VanDerWaalsContact O-CD1 3.31Å; E44-W46 PolarHBondContact O-N 3.5Å |
| 45 | K | 37.6 | Very low | 41.5 | Very low | 183 Ų | 183 | 144.2 Ų | 144.2 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | | | trans | -46.4 | 92 | 149.5 | -173 | 165.1 | -177.1 | -179.7 | 0 | 106 | D43 R47 | D43-K45 PolarHBondContact O-N 3.02Å; K45-R47 PolarHBondContact O-N 3.19Å |
| 46 | W | 37.3 | Very low | 41.6 | Very low | 218 Ų | 218 | 144.4 Ų | 144.4 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | | | trans | -55.3 | 90.7 | 163.8 | -77.5 | 90.8 | 0 | 0 | 0 | 105.8 | E44 S48 | E44-W46 VanDerWaalsContact O-CD1 3.31Å; E44-W46 PolarHBondContact O-N 3.5Å; W46-S48 PolarHBondContact O-N 3.39Å |
| 47 | R | 40.8 | Very low | 41.3 | Very low | 223 Ų | 223 | 143.3 Ų | 143.3 | 84% | 0.842 | 78% | 0.779 | S | S | * | * | | | trans | -65.2 | 95.2 | 165.1 | -80.7 | -176.5 | 74 | -171.7 | 3 | 104.8 | K45 S49 | K45-R47 PolarHBondContact O-N 3.19Å; R47-S49 PolarHBondContact O-N 2.88Å; R47-S49 VanDerWaalsContact O-N 3.11Å |
| 48 | S | 33.1 | Very low | 40.9 | Very low | 103 Ų | 103 | 142.7 Ų | 142.7 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | | | trans | -47.1 | 116.1 | 153.6 | -66.6 | 0 | 0 | 0 | 0 | 107.3 | W46 C50 | W46-S48 PolarHBondContact O-N 3.39Å; S48-C50 PolarHBondContact O-N 2.73Å |
| 49 | S | 39.1 | Very low | 41 | Very low | 129 Ų | 129 | 145.7 Ų | 145.7 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | | | trans | -63.8 | 90.9 | 164.4 | -83.8 | 0 | 0 | 0 | 0 | 108.2 | R47 | R47-S49 PolarHBondContact O-N 2.88Å; R47-S49 VanDerWaalsContact O-N 3.11Å |
| 50 | C | 30.6 | Very low | 41 | Very low | 108 Ų | 108 | 144 Ų | 144 | 73% | 0.73 | 79% | 0.793 | S | S | * | * | | | trans | -133.9 | 109.4 | 161.8 | -72.1 | 0 | 0 | 0 | 0 | 107.4 | S48 | S48-C50 PolarHBondContact O-N 2.73Š|
| 51 | S | 39.9 | Very low | 40.6 | Very low | 113 Ų | 113 | 142.1 Ų | 142.1 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | | | trans | 44.2 | 106.8 | 144.7 | -138.6 | 0 | 0 | 0 | 0 | 118.7 | | |
| 52 | D | 36.3 | Very low | 39.9 | Very low | 155 Ų | 155 | 140 Ų | 140 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | | | | 174.3 | 101.1 | 117.6 | -106 | -19.2 | 0 | 0 | 0 | 109.6 | | |
| 53 | D | 45.3 | Very low | 39.5 | Very low | 167 Ų | 167 | 145 Ų | 145 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | | | trans | -99.6 | 93.4 | 162.4 | -103.2 | -54.5 | 0 | 0 | 0 | 106.6 | | |
| 54 | S | 44.4 | Very low | 39 | Very low | 111 Ų | 111 | 145 Ų | 145 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | | | trans | -172.7 | 88.1 | 158.4 | -75.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 55 | D | 38 | Very low | 38.8 | Very low | 163 Ų | 163 | 144.5 Ų | 144.5 | 87% | 0.872 | 81% | 0.81 | S | S | * | * | | | trans | -152 | 105.9 | 142.4 | -118.8 | -27.4 | 0 | 0 | 0 | 110.6 | | |
| 56 | D | 49.5 | Very low | 38.6 | Very low | 152 Ų | 152 | 142.4 Ų | 142.4 | 81% | 0.813 | 81% | 0.812 | S | S | * | * | | | trans | -89.9 | 98.9 | 171.5 | -165 | -24.9 | 0 | 0 | 0 | 106.5 | | |
| 57 | S | 42.4 | Very low | 38.5 | Very low | 101 Ų | 101 | 136.1 Ų | 136.1 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | | | trans | -163.3 | 95.5 | 164 | -82.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 58 | L | 42.2 | Very low | 38.2 | Very low | 161 Ų | 161 | 134.5 Ų | 134.5 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | | | trans | -70.3 | 143.6 | 159.5 | -62.7 | 174 | 0 | 0 | 0 | 109.4 | | |
| 59 | P | 43.6 | Very low | 38.6 | Very low | 126 Ų | 126 | 139.3 Ų | 139.3 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | | | trans | -119.6 | 138.9 | 133.5 | 31.5 | -22.5 | 0 | 0 | 0 | 111.5 | | |
| 60 | V | 39.5 | Very low | 38.6 | Very low | 143 Ų | 143 | 139.1 Ų | 139.1 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | | | trans | -73.2 | 136.5 | -177.8 | 164.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 61 | G | 33.7 | Very low | 38.9 | Very low | 71 Ų | 71 | 141.1 Ų | 141.1 | 73% | 0.732 | 82% | 0.815 | S | S | * | * | | | trans | 93.9 | 139.3 | 157.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 62 | S | 34.2 | Very low | 38.8 | Very low | 105 Ų | 105 | 146.9 Ų | 146.9 | 73% | 0.734 | 82% | 0.82 | S | S | * | * | | | cis | -167.5 | 139.1 | 7.2 | 62 | 0 | 0 | 0 | 0 | 108.2 | | |
| 63 | Y | 39 | Very low | 38.6 | Very low | 226 Ų | 226 | 147.5 Ų | 147.5 | 89% | 0.886 | 82% | 0.815 | S | S | * | * | | | trans | 30.4 | 128.6 | 151 | -59.8 | -90.1 | 0 | 0 | 0 | 119.3 | | |
| 64 | I | 33.7 | Very low | 38.1 | Very low | 163 Ų | 163 | 144.6 Ų | 144.6 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | | | | -158.8 | 142.2 | 76.4 | -81.1 | 165.3 | 0 | 0 | 0 | 110.6 | | |
| 65 | S | 35.3 | Very low | 37.5 | Very low | 113 Ų | 113 | 147.6 Ų | 147.6 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | | | trans | -62 | 137.1 | 175.2 | -80 | 0 | 0 | 0 | 0 | 114.2 | | |
| 66 | T | 32.9 | Very low | 37.4 | Very low | 139 Ų | 139 | 144.4 Ų | 144.4 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | | | trans | -142.3 | 132.2 | 137.6 | 47.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 67 | A | 34.9 | Very low | 36.8 | Very low | 86 Ų | 86 | 142.3 Ų | 142.3 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | | | trans | 64.7 | 115.2 | 149.3 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 68 | E | 35.1 | Very low | 36.6 | Very low | 189 Ų | 189 | 143.8 Ų | 143.8 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | | | trans | 69.9 | 96.4 | 131.4 | -62.5 | -178.3 | 175.3 | 0 | 0 | 119.6 | | |
| 69 | K | 40.7 | Very low | 36 | Very low | 204 Ų | 204 | 145 Ų | 145 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | | | trans | -93.9 | 130.4 | 159.7 | -66.6 | 175.3 | -180 | 175.4 | 0 | 109 | L71 | K69-L71 PolarHBondContact O-N 3.46Š|
| 70 | P | 39.3 | Very low | 35.8 | Very low | 125 Ų | 125 | 149.6 Ų | 149.6 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | | | trans | -72.5 | 125.6 | 166.5 | 28.8 | -28.7 | 0 | 0 | 0 | 109 | R72 | P70-R72 PolarHBondContact O-N 3.09Å; P70-R72 VanDerWaalsContact O-N 3.14Å |
| 71 | L | 36.3 | Very low | 35.7 | Very low | 151 Ų | 151 | 148.6 Ų | 148.6 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | | | trans | -54.5 | 110.4 | 175.2 | -152.4 | 71 | 0 | 0 | 0 | 109.3 | K69 F73 | K69-L71 PolarHBondContact O-N 3.46Å; L71-F73 PolarHBondContact O-N 3.48Å |
| 72 | R | 39.6 | Very low | 35.7 | Very low | 233 Ų | 233 | 153.5 Ų | 153.5 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | | | trans | -65.3 | 104.6 | 166.3 | -77.1 | -155.4 | -177.8 | 176.7 | 2.6 | 108.1 | P70 C74 | P70-R72 PolarHBondContact O-N 3.09Å; P70-R72 VanDerWaalsContact O-N 3.14Å; R72-C74 VanDerWaalsContact C-N 3.29Å; R72-C74 PolarHBondContact O-N 3.34Å |
| 73 | F | 31.7 | Very low | 35.6 | Very low | 168 Ų | 168 | 159 Ų | 159 | 74% | 0.737 | 80% | 0.798 | S | S | * | * | | | trans | -67 | 92.1 | 160.3 | -110.5 | -89.8 | 0 | 0 | 0 | 108.1 | L71 K75 | L71-F73 PolarHBondContact O-N 3.48Å; F73-K75 VanDerWaalsContact C-N 3.3Å; F73-K75 HydrophobicContact CD1-CG 4.42Å; F73-K75 PolarHBondContact O-N 3.28Å |
| 74 | C | 33.3 | Very low | 35.6 | Very low | 106 Ų | 106 | 159.6 Ų | 159.6 | 72% | 0.716 | 80% | 0.799 | S | S | * | * | | | trans | -71.8 | 89.9 | 162.2 | -64.2 | 0 | 0 | 0 | 0 | 107.6 | R72 S76 | R72-C74 VanDerWaalsContact C-N 3.29Å; R72-C74 PolarHBondContact O-N 3.34Å; C74-S76 VanDerWaalsContact C-N 3.27Å; C74-S76 PolarHBondContact O-N 2.84Å; C74-S76 VanDerWaalsContact O-N 3.15Å |
| 75 | K | 33.8 | Very low | 35.4 | Very low | 174 Ų | 174 | 160 Ų | 160 | 76% | 0.757 | 80% | 0.798 | S | S | * | * | | | trans | -77.4 | 88.4 | 157.6 | -74.9 | -177.1 | 177.6 | 175.4 | 0 | 107 | F73 V77 | F73-K75 VanDerWaalsContact C-N 3.3Å; F73-K75 HydrophobicContact CD1-CG 4.42Å; F73-K75 PolarHBondContact O-N 3.28Å; K75-V77 PolarHBondContact O-N 3.17Å; K75-V77 VanDerWaalsContact O-N 3.11Å |
| 76 | S | 34.3 | Very low | 35.5 | Very low | 96 Ų | 96 | 158.9 Ų | 158.9 | 67% | 0.671 | 80% | 0.795 | S | S | * | * | | | trans | -57.9 | 109.7 | 155.8 | -67.8 | 0 | 0 | 0 | 0 | 107 | C74 D78 | C74-S76 VanDerWaalsContact C-N 3.27Å; C74-S76 PolarHBondContact O-N 2.84Å; C74-S76 VanDerWaalsContact O-N 3.15Å; S76-D78 VanDerWaalsContact C-N 3.32Å; S76-D78 PolarHBondContact O-N 3.21Å |
| 77 | V | 37.4 | Very low | 36.2 | Very low | 108 Ų | 108 | 158 Ų | 158 | 66% | 0.655 | 79% | 0.792 | S | S | * | * | | | trans | -78.2 | 96.3 | 159.6 | -180 | 0 | 0 | 0 | 0 | 104.8 | K75 F79 | K75-V77 PolarHBondContact O-N 3.17Å; K75-V77 VanDerWaalsContact O-N 3.11Å; V77-F79 VanDerWaalsContact C-N 3.32Å; V77-F79 HydrophobicContact CG1-CD2 3.84Å; V77-F79 HydrophobicContact CG1-CE2 3.82Å; V77-F79 PolarHBondContact O-N 3.48Å |
| 78 | D | 37.7 | Very low | 36.2 | Very low | 133 Ų | 133 | 161.4 Ų | 161.4 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | | | trans | -62 | 95.9 | 167 | -73.6 | -33.9 | 0 | 0 | 0 | 108.3 | S76 R80 | S76-D78 VanDerWaalsContact C-N 3.32Å; S76-D78 PolarHBondContact O-N 3.21Å; D78-R80 PolarHBondContact O-N 2.87Å |
| 79 | F | 29.4 | Very low | 36.3 | Very low | 186 Ų | 186 | 160.1 Ų | 160.1 | 82% | 0.816 | 80% | 0.796 | S | S | * | * | | | trans | -72.3 | 88.1 | 159.3 | -93 | -86.5 | 0 | 0 | 0 | 107.6 | V77 P81 | V77-F79 VanDerWaalsContact C-N 3.32Å; V77-F79 HydrophobicContact CG1-CD2 3.84Å; V77-F79 HydrophobicContact CG1-CE2 3.82Å; V77-F79 PolarHBondContact O-N 3.48Å; F79-P81 VanDerWaalsContact O-CD 3.24Å; F79-P81 WeakPolarHBondContact O-CD 3.41Å |
| 80 | R | 40.5 | Very low | 36.1 | Very low | 222 Ų | 222 | 156.5 Ų | 156.5 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | | | trans | -57.2 | 121 | 159.7 | -69.1 | -176.5 | -176.6 | -127.4 | 0.4 | 107.8 | D78 L82 | D78-R80 PolarHBondContact O-N 2.87Å; R80-L82 PolarHBondContact O-N 3.09Å; R80-L82 VanDerWaalsContact O-N 3.16Å |
| 81 | P | 37.2 | Very low | 35.8 | Very low | 122 Ų | 122 | 153.7 Ų | 153.7 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | | | trans | -67 | 115.9 | 162.1 | -15.3 | 31.2 | 0 | 0 | 0 | 107.3 | F79 R83 | F79-P81 VanDerWaalsContact O-CD 3.24Å; F79-P81 WeakPolarHBondContact O-CD 3.41Å; P81-R83 VanDerWaalsContact C-N 3.3Å; P81-R83 PolarHBondContact O-N 2.91Å |
| 82 | L | 33.2 | Very low | 35.6 | Very low | 175 Ų | 175 | 154.6 Ų | 154.6 | 92% | 0.916 | 79% | 0.791 | S | S | * | * | | | trans | -59.5 | 97.5 | 165.1 | -95.2 | 157.3 | 0 | 0 | 0 | 107.6 | R80 R84 | R80-L82 PolarHBondContact O-N 3.09Å; R80-L82 VanDerWaalsContact O-N 3.16Å; L82-R84 PolarHBondContact O-N 3.4Å; L82-R84 VanDerWaalsContact O-N 3.14Å |
| 83 | R | 33.3 | Very low | 35.3 | Very low | 219 Ų | 219 | 149.4 Ų | 149.4 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | | | trans | -61.5 | 110.5 | 169.3 | -167.5 | -178.1 | -176.1 | 108.1 | -1.5 | 106.9 | P81 E85 | P81-R83 VanDerWaalsContact C-N 3.3Å; P81-R83 PolarHBondContact O-N 2.91Å; R83-E85 PolarHBondContact O-N 3.44Å |
| 84 | R | 37.1 | Very low | 35.2 | Very low | 240 Ų | 240 | 147 Ų | 147 | 91% | 0.906 | 79% | 0.792 | S | S | * | * | | | trans | -70.3 | 115.8 | 170.3 | -169.6 | 177.5 | -73.9 | 151.7 | -4 | 107.3 | L82 | L82-R84 PolarHBondContact O-N 3.4Å; L82-R84 VanDerWaalsContact O-N 3.14Å |
| 85 | E | 30.8 | Very low | 35.2 | Very low | 172 Ų | 172 | 146.5 Ų | 146.5 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | trans | -52.9 | 127.8 | 171.3 | -67 | -69.3 | 136.5 | 0 | 0 | 111.1 | R83 | R83-E85 PolarHBondContact O-N 3.44Š|
| 86 | A | 38 | Very low | 35.1 | Very low | 89 Ų | 89 | 144.2 Ų | 144.2 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | | | trans | -157.6 | 148.9 | 156.7 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 87 | P | 46.7 | Very low | 35.1 | Very low | 120 Ų | 120 | 147.2 Ų | 147.2 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | | | trans | -94.3 | 155.6 | -133.4 | 34.2 | -34.8 | 0 | 0 | 0 | 115.6 | | |
| 88 | N | 35.4 | Very low | 35.4 | Very low | 157 Ų | 157 | 147.3 Ų | 147.3 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | | | trans | 2.2 | 112.7 | 155 | -87.2 | -57.1 | 0 | 0 | 0 | 117.6 | | |
| 89 | L | 37.1 | Very low | 35.1 | Very low | 162 Ų | 162 | 146.3 Ų | 146.3 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | | | trans | -144.4 | 106.6 | 143.7 | -71.8 | 179.4 | 0 | 0 | 0 | 109.7 | | |
| 90 | T | 35.4 | Very low | 35.4 | Very low | 129 Ų | 129 | 143.7 Ų | 143.7 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | | | trans | 41.7 | 115.7 | 139.6 | 49.7 | 0 | 0 | 0 | 0 | 121.4 | | |
| 91 | G | 34.1 | Very low | 35.3 | Very low | 65 Ų | 65 | 139.1 Ų | 139.1 | 67% | 0.67 | 80% | 0.803 | S | S | * | * | | | | 56.1 | 114.1 | 124.4 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 92 | D | 30.9 | Very low | 35.2 | Very low | 171 Ų | 171 | 139.6 Ų | 139.6 | 91% | 0.914 | 80% | 0.804 | S | S | * | * | | | | 164.2 | 147.1 | 92.7 | -84 | -24.8 | 0 | 0 | 0 | 112.1 | | |
| 93 | S | 34.3 | Very low | 35.4 | Very low | 123 Ų | 123 | 140.1 Ų | 140.1 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | | | trans | -74 | 149.7 | 179.9 | -63.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 94 | C | 29.5 | Very low | 35.6 | Very low | 117 Ų | 117 | 139.3 Ų | 139.3 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | | | | -179.2 | 119 | 129.1 | -150.2 | 0 | 0 | 0 | 0 | 114 | | |
| 95 | S | 33.4 | Very low | 35.5 | Very low | 97 Ų | 97 | 137.5 Ų | 137.5 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | | | trans | 36 | 126 | 130.6 | -43.1 | 0 | 0 | 0 | 0 | 124.1 | | |
| 96 | T | 32 | Very low | 35.9 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 77% | 0.767 | 80% | 0.804 | S | S | * | * | | | | 55.2 | 111.5 | 118.8 | -45.5 | 0 | 0 | 0 | 0 | 121.7 | | |
| 97 | L | 34.6 | Very low | 36.5 | Very low | 159 Ų | 159 | 138 Ų | 138 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | | | trans | 27.5 | 165.3 | 138.9 | -60.7 | -179.7 | 0 | 0 | 0 | 121.8 | | |
| 98 | P | 43.2 | Very low | 36.7 | Very low | 111 Ų | 111 | 138.3 Ų | 138.3 | 72% | 0.721 | 81% | 0.807 | S | S | * | * | | | cis | -140.9 | 170.8 | 9.2 | 28.8 | -3 | 0 | 0 | 0 | 118.5 | | |
| 99 | S | 30.7 | Very low | 36.9 | Very low | 111 Ų | 111 | 138.6 Ų | 138.6 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | | | trans | 23 | 130.3 | 139.1 | -42.3 | 0 | 0 | 0 | 0 | 123.5 | | |
| 100 | T | 35.3 | Very low | 37.5 | Very low | 131 Ų | 131 | 136.4 Ų | 136.4 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | | | trans | -139.8 | 139.6 | 143.7 | 52.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 101 | P | 39.3 | Very low | 37.9 | Very low | 126 Ų | 126 | 136.2 Ų | 136.2 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -100.5 | 136.1 | 177.5 | 35.1 | -26.9 | 0 | 0 | 0 | 111.6 | | |
| 102 | V | 35.9 | Very low | 38 | Very low | 133 Ų | 133 | 141.5 Ų | 141.5 | 81% | 0.806 | 81% | 0.811 | S | S | * | * | | | trans | -114.7 | 112.3 | 172.5 | 178.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 103 | H | 35.8 | Very low | 38.2 | Very low | 186 Ų | 186 | 138.4 Ų | 138.4 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | | | trans | -54.9 | 133.4 | 164.2 | -91.3 | -81.6 | 0 | 0 | 0 | 111.6 | | |
| 104 | K | 37.3 | Very low | 38.3 | Very low | 202 Ų | 202 | 138.5 Ų | 138.5 | 88% | 0.878 | 80% | 0.803 | S | S | * | * | | | trans | -138.7 | 125.3 | 153.3 | -114.1 | 174.8 | -178 | 175.1 | 0 | 111.1 | | |
| 105 | K | 35.4 | Very low | 38.4 | Very low | 201 Ų | 201 | 136.4 Ų | 136.4 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 120.4 | -169.9 | -175.4 | 177.8 | -177.5 | 176.8 | 0 | 107.6 | | |
| 106 | N | 39.6 | Very low | 38.7 | Very low | 156 Ų | 156 | 136.1 Ų | 136.1 | 83% | 0.834 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 134.4 | 173.1 | -71 | -31.7 | 0 | 0 | 0 | 110.2 | | |
| 107 | P | 50.4 | Low | 38.9 | Very low | 116 Ų | 116 | 135 Ų | 135 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 159.7 | 165.7 | 34.2 | -28.1 | 0 | 0 | 0 | 112.5 | | |
| 108 | P | 50.5 | Low | 39.5 | Very low | 127 Ų | 127 | 138 Ų | 138 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 161.3 | -160.1 | 35.4 | -34.8 | 0 | 0 | 0 | 115.5 | | |
| 109 | L | 40.6 | Very low | 39.1 | Very low | 162 Ų | 162 | 141.4 Ų | 141.4 | 85% | 0.848 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 150.3 | 171.1 | -114.8 | 71.1 | 0 | 0 | 0 | 113.5 | | |
| 110 | P | 50.1 | Low | 39.5 | Very low | 117 Ų | 117 | 144.4 Ų | 144.4 | 76% | 0.76 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -95 | 134.6 | 153.8 | 32.8 | -26.5 | 0 | 0 | 0 | 112.2 | | |
| 111 | T | 42.1 | Very low | 39.5 | Very low | 125 Ų | 125 | 144.6 Ų | 144.6 | 77% | 0.767 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 132.2 | 171.5 | 45.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 112 | M | 36.4 | Very low | 39.4 | Very low | 176 Ų | 176 | 144.7 Ų | 144.7 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | | | trans | -144.8 | 110 | 161.1 | -67.3 | -85.4 | 82.2 | 0 | 0 | 106.9 | | |
| 113 | S | 35.3 | Very low | 39.7 | Very low | 106 Ų | 106 | 143.1 Ų | 143.1 | 74% | 0.741 | 81% | 0.806 | S | S | * | * | | | | 76.8 | 104.1 | 79 | -172 | 0 | 0 | 0 | 0 | 115 | | |
| 114 | S | 36.3 | Very low | 39.4 | Very low | 124 Ų | 124 | 140.2 Ų | 140.2 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | | | trans | 44.3 | 118.5 | 140.5 | -171.8 | 0 | 0 | 0 | 0 | 120.3 | | |
| 115 | G | 32.7 | Very low | 39.3 | Very low | 74 Ų | 74 | 137.9 Ų | 137.9 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | | | trans | -175.7 | 81.3 | 162.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 116 | G | 39 | Very low | 39.5 | Very low | 90 Ų | 90 | 134.8 Ų | 134.8 | 93% | 0.928 | 79% | 0.791 | S | S | * | * | | | trans | -69.7 | 127.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 117 | S | 37.3 | Very low | 39.4 | Very low | 102 Ų | 102 | 137.7 Ų | 137.7 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | | | trans | -122.7 | 113.3 | 168.8 | -165.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 118 | R | 45.4 | Very low | 38.7 | Very low | 221 Ų | 221 | 139.1 Ų | 139.1 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | | | trans | -87.9 | 99.2 | -172.3 | -179 | -174.6 | -172.2 | 178.8 | 4.1 | 109 | | |
| 119 | F | 35 | Very low | 38.4 | Very low | 184 Ų | 184 | 138.7 Ų | 138.7 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 123 | 165.7 | -85.7 | -85.8 | 0 | 0 | 0 | 110.4 | | |
| 120 | K | 39.9 | Very low | 38.2 | Very low | 173 Ų | 173 | 141.2 Ų | 141.2 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 121.8 | 179.3 | -68.1 | -161.7 | 175.6 | -174.6 | 0 | 109.9 | | |
| 121 | V | 35.9 | Very low | 37.5 | Very low | 136 Ų | 136 | 145 Ų | 145 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 117.9 | 163.5 | 177.2 | 0 | 0 | 0 | 0 | 107.6 | | |
| 122 | V | 37.4 | Very low | 37.3 | Very low | 127 Ų | 127 | 144.7 Ų | 144.7 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 125.3 | 167.7 | 178.2 | 0 | 0 | 0 | 0 | 107 | | |
| 123 | P | 41.3 | Very low | 37.9 | Very low | 100 Ų | 100 | 141.9 Ų | 141.9 | 65% | 0.649 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 151.3 | 176.2 | 34.8 | -29 | 0 | 0 | 0 | 112.2 | | |
| 124 | V | 30.3 | Very low | 37.8 | Very low | 126 Ų | 126 | 145.1 Ų | 145.1 | 76% | 0.764 | 80% | 0.801 | S | S | * | * | | | trans | 80.2 | 130.6 | 152.2 | 174.1 | 0 | 0 | 0 | 0 | 113.9 | | |
| 125 | E | 34.2 | Very low | 37.7 | Very low | 152 Ų | 152 | 142.9 Ų | 142.9 | 71% | 0.71 | 80% | 0.797 | S | S | * | * | | | | -167.8 | 128.4 | 59.7 | -150 | 157.5 | -151.3 | 0 | 0 | 112.1 | | |
| 126 | T | 39.1 | Very low | 38 | Very low | 136 Ų | 136 | 148.6 Ų | 148.6 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | | | trans | -80.6 | 115.2 | 163.9 | -46.1 | 0 | 0 | 0 | 0 | 107.4 | | |
| 127 | R | 38.9 | Very low | 38 | Very low | 218 Ų | 218 | 154.2 Ų | 154.2 | 82% | 0.823 | 80% | 0.803 | S | S | * | * | | | trans | -95.3 | 108.1 | 175.2 | -90.5 | -175.5 | 157 | 172.4 | -5.1 | 110.8 | | |
| 128 | D | 34.6 | Very low | 37.8 | Very low | 146 Ų | 146 | 153.1 Ų | 153.1 | 78% | 0.781 | 80% | 0.8 | S | S | * | * | | | trans | -69.2 | 137.1 | 158.3 | -76.5 | -39.6 | 0 | 0 | 0 | 110.1 | Y130 | D128-Y130 PolarHBondContact O-N 2.78Š|
| 129 | P | 44.6 | Very low | 37.2 | Very low | 118 Ų | 118 | 150.7 Ų | 150.7 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -93.5 | 52.8 | -172.9 | 37.5 | -35.1 | 0 | 0 | 0 | 112.1 | | |
| 130 | Y | 36.8 | Very low | 37.3 | Very low | 215 Ų | 215 | 146.8 Ų | 146.8 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | | | trans | -160.7 | 90.6 | 170.4 | -102.8 | -80.1 | 0 | 0 | 0 | 111.6 | D128 | D128-Y130 PolarHBondContact O-N 2.78Š|
| 131 | F | 35 | Very low | 37.1 | Very low | 196 Ų | 196 | 148.4 Ų | 148.4 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | | | trans | 159.4 | 130.6 | 140.1 | -115.1 | -111.8 | 0 | 0 | 0 | 109.7 | | |
| 132 | S | 37.2 | Very low | 37.5 | Very low | 119 Ų | 119 | 147.3 Ų | 147.3 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | | | trans | -146.7 | 129 | 152.3 | -120 | 0 | 0 | 0 | 0 | 110.3 | | |
| 133 | P | 48.9 | Very low | 37.4 | Very low | 117 Ų | 117 | 147.7 Ų | 147.7 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | | | trans | -88.8 | 152.7 | -176.7 | 35.7 | -32 | 0 | 0 | 0 | 112 | | |
| 134 | N | 34.8 | Very low | 37.1 | Very low | 174 Ų | 174 | 146.9 Ų | 146.9 | 93% | 0.93 | 81% | 0.811 | S | S | * | * | | | trans | -48 | 142 | -178.9 | -74.6 | -21.6 | 0 | 0 | 0 | 116 | | |
| 135 | G | 34.3 | Very low | 37.3 | Very low | 77 Ų | 77 | 145.3 Ų | 145.3 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | | | trans | -167.5 | 128.8 | 163.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 136 | K | 37.3 | Very low | 37.4 | Very low | 193 Ų | 193 | 144.5 Ų | 144.5 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | | | trans | -95 | 141.5 | -160.7 | -52.7 | 177.9 | 177.5 | -178.2 | 0 | 111.8 | | |
| 137 | H | 40.3 | Very low | 37.2 | Very low | 209 Ų | 209 | 146.9 Ų | 146.9 | 97% | 0.968 | 81% | 0.809 | S | S | * | * | | | trans | -153.1 | 152.9 | 147.2 | -82.1 | -61.6 | 0 | 0 | 0 | 110.9 | | |
| 138 | A | 33.1 | Very low | 36.8 | Very low | 79 Ų | 79 | 143.1 Ų | 143.1 | 65% | 0.653 | 81% | 0.805 | S | S | * | * | | | trans | -112.8 | 156.8 | -150.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 139 | I | 32.6 | Very low | 36.7 | Very low | 169 Ų | 169 | 142.6 Ų | 142.6 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | | | trans | 71.3 | 110.7 | 146.3 | -58.2 | 152.3 | 0 | 0 | 0 | 119.1 | | |
| 140 | A | 36.3 | Very low | 36.2 | Very low | 103 Ų | 103 | 145.4 Ų | 145.4 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | | | | -148.9 | 139.6 | 123.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 141 | K | 36 | Very low | 36.8 | Very low | 206 Ų | 206 | 140 Ų | 140 | 90% | 0.896 | 79% | 0.794 | S | S | * | * | | | trans | -81.6 | 170.5 | -165.2 | -114.2 | -168.1 | 171.1 | 171.4 | 0 | 114.6 | | |
| 142 | P | 44.6 | Very low | 36.6 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 74% | 0.74 | 79% | 0.789 | S | S | * | * | | | trans | -106.1 | 174.6 | -161.8 | 42.4 | -37.1 | 0 | 0 | 0 | 115.3 | | |
| 143 | T | 35.8 | Very low | 36.4 | Very low | 135 Ų | 135 | 135.6 Ų | 135.6 | 83% | 0.828 | 79% | 0.788 | S | S | * | * | | | trans | -137.5 | 109.7 | 152.9 | -132.2 | 0 | 0 | 0 | 0 | 107.8 | | |
| 144 | A | 34.1 | Very low | 35.8 | Very low | 83 Ų | 83 | 135.5 Ų | 135.5 | 69% | 0.686 | 79% | 0.79 | S | S | * | * | | | | 58.7 | 119.3 | 108.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 145 | A | 34.3 | Very low | 36.4 | Very low | 92 Ų | 92 | 133.4 Ų | 133.4 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | | | | -149.3 | 136.4 | 50.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 146 | I | 36.1 | Very low | 36.4 | Very low | 136 Ų | 136 | 135 Ų | 135 | 70% | 0.697 | 79% | 0.785 | S | S | * | * | | | | 54.6 | 112.8 | 71.6 | -43.5 | 170.3 | 0 | 0 | 0 | 111 | | |
| 147 | K | 35.6 | Very low | 36.1 | Very low | 186 Ų | 186 | 132.3 Ų | 132.3 | 81% | 0.809 | 79% | 0.785 | S | S | * | * | | | | -163.3 | 127.8 | 61.9 | -78.5 | 176.2 | 178.7 | 177.8 | 0 | 109 | | |
| 148 | N | 30.1 | Very low | 35.9 | Very low | 138 Ų | 138 | 128.8 Ų | 128.8 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | | | | 66.9 | 140.3 | 85.3 | -78.4 | -9 | 0 | 0 | 0 | 115.2 | | |
| 149 | I | 32.9 | Very low | 36 | Very low | 136 Ų | 136 | 133.4 Ų | 133.4 | 70% | 0.697 | 79% | 0.785 | S | S | * | * | | | cis | 178.3 | 134.7 | -11.5 | -101.3 | 164.9 | 0 | 0 | 0 | 103.3 | | |
| 150 | H | 34.5 | Very low | 36.8 | Very low | 176 Ų | 176 | 130.1 Ų | 130.1 | 82% | 0.815 | 78% | 0.775 | S | S | * | * | | | trans | 28.5 | 178.7 | 147.2 | -90.8 | -124.7 | 0 | 0 | 0 | 123.4 | | |
| 151 | P | 49.8 | Very low | 36.7 | Very low | 102 Ų | 102 | 131.7 Ų | 131.7 | 66% | 0.662 | 77% | 0.774 | S | S | * | * | | | cis | -137.8 | 179.3 | -38 | 35.5 | -16.6 | 0 | 0 | 0 | 115 | | |
| 152 | S | 30.9 | Very low | 36.7 | Very low | 108 Ų | 108 | 127.5 Ų | 127.5 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | | | trans | 56.9 | 121.4 | 141.1 | 167.4 | 0 | 0 | 0 | 0 | 121.4 | | |
| 153 | S | 32.5 | Very low | 36.1 | Very low | 114 Ų | 114 | 126 Ų | 126 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | | | | 173.7 | 132.4 | 118.1 | 37.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 154 | S | 36 | Very low | 36.1 | Very low | 116 Ų | 116 | 126.7 Ų | 126.7 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | | | trans | -75.1 | 161.3 | 157.4 | -56.8 | 0 | 0 | 0 | 0 | 110 | | |
| 155 | P | 46.5 | Very low | 36.8 | Very low | 129 Ų | 129 | 128.3 Ų | 128.3 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | | | | -144.5 | 159.4 | 102.9 | 32.8 | -14.9 | 0 | 0 | 0 | 115.7 | | |
| 156 | S | 34.6 | Very low | 36.8 | Very low | 112 Ų | 112 | 129.8 Ų | 129.8 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | | | trans | -72.8 | 155 | 170.3 | -168.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 157 | V | 32.4 | Very low | 36.8 | Very low | 136 Ų | 136 | 132.8 Ų | 132.8 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | | | trans | 177.2 | 123.8 | 148.1 | 139.1 | 0 | 0 | 0 | 0 | 114.8 | | |
| 158 | V | 34.8 | Very low | 36.8 | Very low | 135 Ų | 135 | 132.2 Ų | 132.2 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | 77 | 127.2 | 156.6 | -129.9 | 0 | 0 | 0 | 0 | 125.6 | | |
| 159 | Q | 35.6 | Very low | 37.1 | Very low | 175 Ų | 175 | 137.1 Ų | 137.1 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -76.8 | -165.6 | 160.5 | -68 | -174.7 | -29.2 | 0 | 0 | 112.2 | | |
| 160 | P | 49.9 | Very low | 37.7 | Very low | 101 Ų | 101 | 136 Ų | 136 | 66% | 0.656 | 80% | 0.797 | S | S | * | * | | | cis | -148.1 | -173.6 | 9.1 | 33.3 | -6 | 0 | 0 | 0 | 119.7 | | |
| 161 | T | 32.7 | Very low | 37.6 | Very low | 135 Ų | 135 | 131.8 Ų | 131.8 | 83% | 0.828 | 79% | 0.793 | S | S | * | * | | | trans | 88.1 | 139.9 | 157.9 | 78.3 | 0 | 0 | 0 | 0 | 116.8 | | |
| 162 | S | 36 | Very low | 36.9 | Very low | 118 Ų | 118 | 132 Ų | 132 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | | | cis | -162 | 143.2 | 8.4 | 43.9 | 0 | 0 | 0 | 0 | 108.2 | | |
| 163 | G | 32.7 | Very low | 37.4 | Very low | 82 Ų | 82 | 135.6 Ų | 135.6 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | | | | 122.3 | 113.8 | 107.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 164 | I | 36.2 | Very low | 37.5 | Very low | 150 Ų | 150 | 138.4 Ų | 138.4 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | | | trans | -106.5 | 151.4 | 176.6 | -75.4 | 179 | 0 | 0 | 0 | 106.7 | V166 | I164-V166 HydrophobicContact CG2-CG2 3.91Š|
| 165 | P | 47.8 | Very low | 37.6 | Very low | 118 Ų | 118 | 140.7 Ų | 140.7 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | | | | -151.2 | 141.6 | 71 | 30.7 | -4 | 0 | 0 | 0 | 119.6 | | |
| 166 | V | 35.2 | Very low | 37.3 | Very low | 123 Ų | 123 | 138.7 Ų | 138.7 | 75% | 0.745 | 80% | 0.802 | S | S | * | * | | | | 62.7 | 112.6 | 98.2 | -173 | 0 | 0 | 0 | 0 | 115.7 | I164 | I164-V166 HydrophobicContact CG2-CG2 3.91Š|
| 167 | Q | 35.9 | Very low | 37.7 | Very low | 199 Ų | 199 | 139 Ų | 139 | 93% | 0.93 | 80% | 0.802 | S | S | * | * | | | trans | -151.6 | 132.8 | 143.8 | -164.2 | 141.1 | 17.3 | 0 | 0 | 112.2 | | |
| 168 | Q | 35.4 | Very low | 38.1 | Very low | 174 Ų | 174 | 139.5 Ų | 139.5 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | | | trans | -131.1 | 126.2 | -175.8 | -175.7 | -176.6 | 14.1 | 0 | 0 | 108.5 | | |
| 169 | R | 35.7 | Very low | 38.5 | Very low | 241 Ų | 241 | 138.3 Ų | 138.3 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | | | trans | 178.4 | 165.9 | 143.3 | -111.9 | -159.7 | -137.9 | -170.3 | 4.2 | 114 | | |
| 170 | P | 47.3 | Very low | 39 | Very low | 111 Ų | 111 | 138.8 Ų | 138.8 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | | | trans | -117.4 | 172.8 | -130.3 | 32.6 | -10.5 | 0 | 0 | 0 | 112.9 | | |
| 171 | A | 32.1 | Very low | 38.7 | Very low | 88 Ų | 88 | 139 Ų | 139 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | trans | 155.5 | 149.3 | 132.5 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 172 | S | 34.5 | Very low | 39 | Very low | 107 Ų | 107 | 138.4 Ų | 138.4 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | | | trans | 73.2 | 100.9 | 149.7 | 40.2 | 0 | 0 | 0 | 0 | 120 | | |
| 173 | H | 41.5 | Very low | 39 | Very low | 183 Ų | 183 | 143 Ų | 143 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | | | trans | -0.4 | 116.4 | 131.9 | -52.6 | -43.1 | 0 | 0 | 0 | 117.4 | | |
| 174 | L | 35 | Very low | 39.6 | Very low | 173 Ų | 173 | 144.8 Ų | 144.8 | 91% | 0.906 | 79% | 0.787 | S | S | * | * | | | trans | -146.2 | 110.7 | 132.6 | -81 | -179.5 | 0 | 0 | 0 | 108.1 | A176 | L174-A176 PolarHBondContact O-N 2.78Š|
| 175 | I | 38.7 | Very low | 39.7 | Very low | 164 Ų | 164 | 143.7 Ų | 143.7 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | | | trans | -72.2 | 108.1 | 169.8 | -70.5 | 155 | 0 | 0 | 0 | 106.5 | | |
| 176 | A | 39.9 | Very low | 39.3 | Very low | 87 Ų | 87 | 143.3 Ų | 143.3 | 72% | 0.719 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 129.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | L174 N178 | L174-A176 PolarHBondContact O-N 2.78Å; A176-N178 PolarHBondContact O-N 2.9Å |
| 177 | P | 43 | Very low | 39.5 | Very low | 120 Ų | 120 | 147.1 Ų | 147.1 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 128.7 | 174.2 | 26.3 | -29.8 | 0 | 0 | 0 | 110 | | |
| 178 | N | 39.2 | Very low | 39.7 | Very low | 146 Ų | 146 | 143.7 Ų | 143.7 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -46.8 | 125.1 | 174.4 | -169.4 | 5.9 | 0 | 0 | 0 | 111.8 | A176 K180 | A176-N178 PolarHBondContact O-N 2.9Å; N178-K180 PolarHBondContact O-N 3.07Å |
| 179 | P | 44.3 | Very low | 39.9 | Very low | 110 Ų | 110 | 138.8 Ų | 138.8 | 71% | 0.714 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 128.5 | 172.8 | 27.3 | -30.9 | 0 | 0 | 0 | 109.9 | | |
| 180 | K | 45.9 | Very low | 40.1 | Very low | 185 Ų | 185 | 133.5 Ų | 133.5 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 141.1 | 174.3 | -62.6 | 173.5 | -179.9 | 175.8 | 0 | 110.3 | N178 V182 | N178-K180 PolarHBondContact O-N 3.07Å; K180-V182 PolarHBondContact O-N 3.41Å |
| 181 | P | 43.5 | Very low | 40.1 | Very low | 106 Ų | 106 | 134.7 Ų | 134.7 | 69% | 0.688 | 78% | 0.775 | S | S | * | * | | | trans | -65.3 | 111.2 | 172.5 | 26.6 | -31.2 | 0 | 0 | 0 | 109 | Y183 | P181-Y183 PolarHBondContact O-N 2.82Š|
| 182 | V | 39 | Very low | 40.3 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | | | trans | -74.3 | 108.9 | 166.4 | 176.5 | 0 | 0 | 0 | 0 | 106.3 | K180 T184 | K180-V182 PolarHBondContact O-N 3.41Å; V182-T184 HydrophobicContact CG1-CG2 4.16Å; V182-T184 PolarHBondContact O-N 2.78Å |
| 183 | Y | 36.3 | Very low | 40.5 | Very low | 215 Ų | 215 | 137.4 Ų | 137.4 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | | | trans | -69.2 | 98.3 | 167 | -74.9 | -87.4 | 0 | 0 | 0 | 108.3 | P181 V185 | P181-Y183 PolarHBondContact O-N 2.82Å; Y183-V185 PolarHBondContact O-N 3.09Å |
| 184 | T | 44.6 | Very low | 40.1 | Very low | 120 Ų | 120 | 135.2 Ų | 135.2 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | | | trans | -77.8 | 114 | 163.6 | 46.6 | 0 | 0 | 0 | 0 | 108 | V182 P186 | V182-T184 HydrophobicContact CG1-CG2 4.16Å; V182-T184 PolarHBondContact O-N 2.78Å; T184-P186 WeakPolarHBondContact O-CD 3.26Å |
| 185 | V | 39.8 | Very low | 40.1 | Very low | 127 Ų | 127 | 134.9 Ų | 134.9 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | | | trans | -61 | 127.6 | 169.1 | 179.3 | 0 | 0 | 0 | 0 | 108 | Y183 K187 | Y183-V185 PolarHBondContact O-N 3.09Å; V185-K187 PolarHBondContact O-N 3.42Å |
| 186 | P | 38 | Very low | 39.9 | Very low | 109 Ų | 109 | 131.2 Ų | 131.2 | 71% | 0.708 | 76% | 0.76 | S | S | * | * | | | trans | -60.3 | 114.1 | 170.1 | -22.7 | 33.6 | 0 | 0 | 0 | 109.8 | T184 V188 | T184-P186 WeakPolarHBondContact O-CD 3.26Å; P186-V188 PolarHBondContact O-N 3.41Å |
| 187 | K | 40.4 | Very low | 39.9 | Very low | 204 Ų | 204 | 131.9 Ų | 131.9 | 89% | 0.887 | 76% | 0.76 | S | S | * | * | | | trans | -68.4 | 94.5 | 169.1 | -177.2 | 161.8 | -178.8 | 167.7 | 0 | 108 | V185 A189 | V185-K187 PolarHBondContact O-N 3.42Å; K187-A189 PolarHBondContact O-N 3.3Å |
| 188 | V | 39.2 | Very low | 39.8 | Very low | 127 Ų | 127 | 132 Ų | 132 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | | | trans | -67.3 | 120.1 | 170.4 | -178.6 | 0 | 0 | 0 | 0 | 107.8 | P186 | P186-V188 PolarHBondContact O-N 3.41Š|
| 189 | A | 40.1 | Very low | 40 | Very low | 71 Ų | 71 | 131.1 Ų | 131.1 | 59% | 0.587 | 75% | 0.752 | S | S | * | * | | | trans | -67.9 | 129.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | K187 T191 | K187-A189 PolarHBondContact O-N 3.3Å; A189-T191 PolarHBondContact O-N 2.84Å |
| 190 | P | 39.7 | Very low | 39.8 | Very low | 129 Ų | 129 | 133.1 Ų | 133.1 | 84% | 0.838 | 76% | 0.756 | S | S | * | * | | | trans | -80.3 | 102.4 | 170.1 | 28.9 | -28.5 | 0 | 0 | 0 | 109.5 | | |
| 191 | T | 46.3 | Very low | 39.5 | Very low | 137 Ų | 137 | 131.3 Ų | 131.3 | 84% | 0.84 | 75% | 0.75 | S | S | * | * | | | trans | -104.9 | 91.1 | 163.8 | -49.7 | 0 | 0 | 0 | 0 | 109 | A189 | A189-T191 PolarHBondContact O-N 2.84Š|
| 192 | A | 37.6 | Very low | 39.1 | Very low | 90 Ų | 90 | 132.4 Ų | 132.4 | 74% | 0.744 | 76% | 0.757 | S | S | * | * | | | trans | -177.1 | 93.1 | 147.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | V194 | A192-V194 PolarHBondContact O-N 3.49Š|
| 193 | Q | 37.5 | Very low | 39.5 | Very low | 162 Ų | 162 | 132.7 Ų | 132.7 | 76% | 0.757 | 76% | 0.759 | S | S | * | * | | | trans | -75.6 | 103.8 | 171 | -67.2 | -162.4 | -17.7 | 0 | 0 | 109.2 | K195 | Q193-K195 VanDerWaalsContact OE1-CE 3.22Š|
| 194 | V | 33 | Very low | 40.1 | Very low | 137 Ų | 137 | 128.6 Ų | 128.6 | 83% | 0.83 | 76% | 0.756 | S | S | * | * | | | trans | -92.1 | 98.6 | 150 | -178.7 | 0 | 0 | 0 | 0 | 106 | A192 A196 | A192-V194 PolarHBondContact O-N 3.49Å; V194-A196 PolarHBondContact O-N 2.79Å |
| 195 | K | 36.8 | Very low | 40.1 | Very low | 166 Ų | 166 | 129.8 Ų | 129.8 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | | | trans | -68.1 | 95.2 | 172.5 | -71.5 | 178.4 | 179.1 | 179.2 | 0 | 108.7 | Q193 | Q193-K195 VanDerWaalsContact OE1-CE 3.22Š|
| 196 | A | 33.7 | Very low | 40.5 | Very low | 87 Ų | 87 | 127.9 Ų | 127.9 | 72% | 0.719 | 76% | 0.764 | S | S | * | * | | | trans | -92.5 | 87.9 | 154.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | V194 T198 | V194-A196 PolarHBondContact O-N 2.79Å; A196-T198 PolarHBondContact O-N 2.88Å; A196-T198 VanDerWaalsContact O-N 3.09Å |
| 197 | S | 40 | Very low | 40.6 | Very low | 101 Ų | 101 | 131.7 Ų | 131.7 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | | | trans | -72.1 | 94.4 | 168.3 | -71.4 | 0 | 0 | 0 | 0 | 108.6 | I199 | S197-I199 PolarHBondContact O-N 3.03Š|
| 198 | T | 41 | Very low | 40.6 | Very low | 121 Ų | 121 | 128.4 Ų | 128.4 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | | | trans | -82.5 | 94.4 | 162.2 | -58.6 | 0 | 0 | 0 | 0 | 107.9 | A196 I200 | A196-T198 PolarHBondContact O-N 2.88Å; A196-T198 VanDerWaalsContact O-N 3.09Å; T198-I200 HydrophobicContact CG2-CG1 4.21Å; T198-I200 PolarHBondContact O-N 3.17Å |
| 199 | I | 42.9 | Very low | 40.4 | Very low | 128 Ų | 128 | 131.1 Ų | 131.1 | 66% | 0.656 | 77% | 0.771 | S | S | * | * | | | trans | -73 | 110.1 | 166.6 | -66.6 | 170.6 | 0 | 0 | 0 | 106.9 | S197 Q201 | S197-I199 PolarHBondContact O-N 3.03Å; I199-Q201 HydrophobicContact CG2-CG 3.79Å; I199-Q201 PolarHBondContact O-N 3.44Å |
| 200 | I | 41.4 | Very low | 40.2 | Very low | 153 Ų | 153 | 133.3 Ų | 133.3 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | | | trans | -86.1 | 98.3 | 164.3 | -56.9 | 178.3 | 0 | 0 | 0 | 106.4 | T198 | T198-I200 HydrophobicContact CG2-CG1 4.21Å; T198-I200 PolarHBondContact O-N 3.17Å |
| 201 | Q | 37.7 | Very low | 40.2 | Very low | 147 Ų | 147 | 131.7 Ų | 131.7 | 69% | 0.687 | 77% | 0.769 | S | S | * | * | | | trans | -91.8 | 134.1 | 161.7 | -85.7 | 175.2 | 34.6 | 0 | 0 | 108.7 | I199 T203 | I199-Q201 HydrophobicContact CG2-CG 3.79Å; I199-Q201 PolarHBondContact O-N 3.44Å; Q201-T203 PolarHBondContact O-N 2.72Å |
| 202 | P | 35.2 | Very low | 39.9 | Very low | 129 Ų | 129 | 129.9 Ų | 129.9 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | | | trans | -76.5 | 107.8 | 173.5 | 29.7 | -28.9 | 0 | 0 | 0 | 108.9 | | |
| 203 | T | 47.4 | Very low | 39.8 | Very low | 127 Ų | 127 | 134.1 Ų | 134.1 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | | | trans | -88.5 | 124.1 | 166.5 | 10.6 | 0 | 0 | 0 | 0 | 109.6 | Q201 N205 | Q201-T203 PolarHBondContact O-N 2.72Å; T203-N205 PolarHBondContact O-N 3.02Å |
| 204 | V | 48.8 | Very low | 39.7 | Very low | 129 Ų | 129 | 132.1 Ų | 132.1 | 78% | 0.782 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -64.3 | 128.1 | 166.3 | 101.2 | 0 | 0 | 0 | 0 | 106.9 | | |
| 205 | N | 45 | Very low | 40.1 | Very low | 144 Ų | 144 | 134.2 Ų | 134.2 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 100 | 85 | -176.9 | -47.4 | -15.9 | 0 | 0 | 0 | 113.8 | T203 Q207 | T203-N205 PolarHBondContact O-N 3.02Å; N205-Q207 PolarHBondContact O-N 3.31Å |
| 206 | G | 48.8 | Very low | 40.1 | Very low | 88 Ų | 88 | 133.1 Ų | 133.1 | 91% | 0.907 | 77% | 0.766 | S | S | * | * | | | trans | -67.7 | 84.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 207 | Q | 40.3 | Very low | 40.2 | Very low | 188 Ų | 188 | 134.8 Ų | 134.8 | 88% | 0.879 | 77% | 0.772 | S | S | * | * | | | trans | -120 | 109.8 | 157 | -91.1 | -174.5 | -13.9 | 0 | 0 | 109.9 | N205 | N205-Q207 PolarHBondContact O-N 3.31Š|
| 208 | V | 40.2 | Very low | 39.9 | Very low | 135 Ų | 135 | 136 Ų | 136 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | -91.8 | 105.2 | 167.2 | -175.5 | 0 | 0 | 0 | 0 | 107.5 | V210 | V208-V210 HydrophobicContact CG1-CG2 3.67Š|
| 209 | K | 35.6 | Very low | 39.9 | Very low | 185 Ų | 185 | 133.9 Ų | 133.9 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | -94.2 | 99.8 | 166.6 | -173.3 | 179.7 | 179.7 | -171 | 0 | 107.6 | | |
| 210 | V | 35.8 | Very low | 39.5 | Very low | 116 Ų | 116 | 133.9 Ų | 133.9 | 70% | 0.703 | 78% | 0.784 | S | S | * | * | | | trans | -89.8 | 110.5 | 167.5 | -175.6 | 0 | 0 | 0 | 0 | 107.3 | V208 | V208-V210 HydrophobicContact CG1-CG2 3.67Š|
| 211 | S | 38.2 | Very low | 39.3 | Very low | 96 Ų | 96 | 135.6 Ų | 135.6 | 67% | 0.671 | 79% | 0.791 | S | S | * | * | | | trans | -103.5 | 109.5 | 164 | -70.2 | 0 | 0 | 0 | 0 | 107.5 | | |
| 212 | S | 40.5 | Very low | 39.2 | Very low | 99 Ų | 99 | 134.9 Ų | 134.9 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | | | trans | -128.8 | 103.8 | 158.1 | 54 | 0 | 0 | 0 | 0 | 106.9 | T214 | S212-T214 PolarHBondContact O-N 2.96Š|
| 213 | E | 36.3 | Very low | 39.3 | Very low | 179 Ų | 179 | 133.4 Ų | 133.4 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | | | trans | -63.6 | 125.9 | 168 | -72 | 175.3 | 135.8 | 0 | 0 | 108.9 | | |
| 214 | T | 35 | Very low | 38.8 | Very low | 119 Ų | 119 | 136.9 Ų | 136.9 | 73% | 0.73 | 80% | 0.802 | S | S | * | * | | | trans | -137.5 | 105.7 | 153.6 | -60.7 | 0 | 0 | 0 | 0 | 105.7 | S212 I216 | S212-T214 PolarHBondContact O-N 2.96Å; T214-I216 HydrophobicContact CG2-CG1 4.46Å; T214-I216 PolarHBondContact O-N 3.11Å |
| 215 | Q | 41.3 | Very low | 38.5 | Very low | 182 Ų | 182 | 134.6 Ų | 134.6 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | | | trans | -72.1 | 119 | 175.8 | -62.5 | -158.4 | 9.9 | 0 | 0 | 109 | | |
| 216 | I | 37.4 | Very low | 38.1 | Very low | 143 Ų | 143 | 134.9 Ų | 134.9 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | | | trans | -121.4 | 111.1 | 159 | -54 | 178.9 | 0 | 0 | 0 | 105.9 | T214 T218 | T214-I216 HydrophobicContact CG2-CG1 4.46Å; T214-I216 PolarHBondContact O-N 3.11Å; I216-T218 PolarHBondContact O-N 3.03Å |
| 217 | S | 35.4 | Very low | 37.8 | Very low | 121 Ų | 121 | 139 Ų | 139 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | | | trans | -73 | 112.4 | 179.2 | -173.2 | 0 | 0 | 0 | 0 | 109.8 | | |
| 218 | T | 34.3 | Very low | 38.1 | Very low | 126 Ų | 126 | 135 Ų | 135 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | | | trans | -134.7 | 105.6 | 158.7 | 31.4 | 0 | 0 | 0 | 0 | 107.4 | I216 V220 | I216-T218 PolarHBondContact O-N 3.03Å; T218-V220 PolarHBondContact O-N 2.99Å |
| 219 | G | 41.2 | Very low | 38.2 | Very low | 78 Ų | 78 | 139.7 Ų | 139.7 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | trans | -71.2 | 117.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 220 | V | 34 | Very low | 38.9 | Very low | 128 Ų | 128 | 142.5 Ų | 142.5 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | | | trans | -133.8 | 113.1 | 156.3 | -178.1 | 0 | 0 | 0 | 0 | 106.6 | T218 V222 | T218-V220 PolarHBondContact O-N 2.99Å; V220-V222 HydrophobicContact CG1-CG2 4.45Å |
| 221 | M | 37.4 | Very low | 39 | Very low | 188 Ų | 188 | 142.6 Ų | 142.6 | 93% | 0.926 | 80% | 0.796 | S | S | * | * | | | trans | -75.9 | 122.3 | 174.5 | -63.5 | -127.9 | -67.3 | 0 | 0 | 109.3 | | |
| 222 | V | 35.8 | Very low | 39.2 | Very low | 132 Ų | 132 | 147.4 Ų | 147.4 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | | | trans | -131.3 | 122.7 | 157.2 | -176 | 0 | 0 | 0 | 0 | 108 | V220 | V220-V222 HydrophobicContact CG1-CG2 4.45Š|
| 223 | A | 36.6 | Very low | 39.6 | Very low | 98 Ų | 98 | 147.9 Ų | 147.9 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | | | trans | -63.8 | 134.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 224 | E | 37.3 | Very low | 40.2 | Very low | 200 Ų | 200 | 146 Ų | 146 | 94% | 0.935 | 81% | 0.809 | S | S | * | * | | | trans | -102.9 | 105.8 | 171.3 | -166.7 | 168.3 | 177.2 | 0 | 0 | 109.4 | | |
| 225 | A | 41.7 | Very low | 40.6 | Very low | 82 Ų | 82 | 144.7 Ų | 144.7 | 68% | 0.678 | 81% | 0.81 | S | S | * | * | | | trans | -149.8 | 103.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 226 | N | 37.5 | Very low | 41.2 | Very low | 149 Ų | 149 | 141.4 Ų | 141.4 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | | | | 177.5 | 128.4 | 114.2 | -104.3 | -40.7 | 0 | 0 | 0 | 114.5 | | |
| 227 | Q | 42.8 | Very low | 41.8 | Very low | 175 Ų | 175 | 139.8 Ų | 139.8 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | | | trans | -10.5 | 142.6 | 149.8 | -82.8 | 168 | 14.7 | 0 | 0 | 121.2 | | |
| 228 | S | 45.1 | Very low | 43 | Very low | 103 Ų | 103 | 139.3 Ų | 139.3 | 72% | 0.72 | 81% | 0.809 | S | S | * | * | | | | 72.1 | 110 | 127 | -166.3 | 0 | 0 | 0 | 0 | 118.9 | | |
| 229 | R | 43.9 | Very low | 44 | Very low | 234 Ų | 234 | 137 Ų | 137 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | | | | -164.1 | 116.8 | 120.1 | -108.6 | 173.7 | -117.5 | -156.3 | -1 | 113.1 | | |
| 230 | R | 49.3 | Very low | 44.8 | Very low | 244 Ų | 244 | 136.8 Ų | 136.8 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | | | trans | -76.4 | 114 | 160.8 | 175.6 | -174.3 | -176.1 | -174.2 | 2.3 | 108.7 | | |
| 231 | T | 37.9 | Very low | 46.1 | Very low | 118 Ų | 118 | 137.1 Ų | 137.1 | 72% | 0.724 | 78% | 0.78 | S | S | * | * | | | trans | -153.4 | 104.3 | 154.4 | 48.9 | 0 | 0 | 0 | 0 | 107.8 | | |
| 232 | K | 41.8 | Very low | 47.3 | Very low | 198 Ų | 198 | 132.4 Ų | 132.4 | 86% | 0.861 | 76% | 0.759 | S | S | * | * | | | | 80.1 | 103.3 | 101.3 | -155.5 | 171 | -170.6 | 177.3 | 0 | 111.5 | | |
| 233 | S | 49.8 | Very low | 48.6 | Very low | 108 Ų | 108 | 130.3 Ų | 130.3 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | | | trans | -46.7 | 130.7 | 164.6 | 51.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 234 | V | 49.5 | Very low | 50.3 | Low | 141 Ų | 141 | 131 Ų | 131 | 86% | 0.855 | 74% | 0.736 | S | S | * | * | | | trans | 176 | 144.1 | 139.3 | 150.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 235 | A | 43 | Very low | 52.5 | Low | 90 Ų | 90 | 125 Ų | 125 | 74% | 0.744 | 71% | 0.71 | S | S | * | * | | | trans | 88.3 | 99.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | S237 | A235-S237 PolarHBondContact O-N 3.14Š|
| 236 | A | 54.4 | Low | 54.9 | Low | 113 Ų | 113 | 125.4 Ų | 125.4 | 93% | 0.934 | 70% | 0.7 | S | S | * | * | | | trans | -55.6 | 119.9 | 162.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 237 | S | 50 | Low | 57.6 | Low | 110 Ų | 110 | 122.5 Ų | 122.5 | 77% | 0.769 | 68% | 0.684 | S | S | * | * | | | trans | -115.6 | 132.4 | 160.5 | -161.4 | 0 | 0 | 0 | 0 | 107.4 | A235 | A235-S237 PolarHBondContact O-N 3.14Š|
| 238 | P | 59.5 | Low | 60 | Low | 110 Ų | 110 | 118.1 Ų | 118.1 | 71% | 0.714 | 67% | 0.666 | S | S | * | * | | | trans | -68.6 | 163.6 | -173.2 | 28.4 | -32.7 | 0 | 0 | 0 | 112 | A240 | P238-A240 PolarHBondContact O-N 3.37Š|
| 239 | P | 55.9 | Low | 62.4 | Low | 77 Ų | 77 | 120 Ų | 120 | 50% | 0.5 | 66% | 0.661 | S | S | . | * | | | trans | -86.2 | 84.6 | -146.9 | 35.3 | -36.6 | 0 | 0 | 0 | 113.4 | H241 N242 | P239-H241 PolarHBondContact O-N 2.86Å; P239-N242 HydrophobicContact CB-CB 4.27Å; P239-N242 WeakPolarHBondContact CB-ND2 3.39Å; P239-N242 WeakPolarHBondContact CG-ND2 3.5Å; P239-N242 PolarHBondContact O-N 3Å |
| 240 | A | 58.3 | Low | 64.9 | Low | 75 Ų | 75 | 113.6 Ų | 113.6 | 62% | 0.62 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -66 | -18.3 | 168 | 0 | 0 | 0 | 0 | 0 | 113 | P238 N242 | P238-A240 PolarHBondContact O-N 3.37Å; A240-N242 VanDerWaalsContact C-N 3.28Å; A240-N242 PolarHBondContact O-N 3.17Å |
| 241 | H | 61 | Low | 67.1 | Low | 135 Ų | 135 | 107 Ų | 107 | 63% | 0.625 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -71.8 | -19.8 | 175.4 | -164.5 | -59.9 | 0 | 0 | 0 | 112.6 | P239 N245 | P239-H241 PolarHBondContact O-N 2.86Å; H241-N245 PolarHBondContact ND1-OD1 2.89Å; H241-N245 PolarHBondContact O-OD1 3.15Å |
| 242 | N | 61.9 | Low | 69.9 | Low | 89 Ų | 89 | 107.7 Ų | 107.7 | 48% | 0.476 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -85.6 | -33.7 | -176.6 | -61.5 | -10.3 | 0 | 0 | 0 | 111.9 | P239 A240 N245 I246 | P239-N242 HydrophobicContact CB-CB 4.27Å; P239-N242 WeakPolarHBondContact CB-ND2 3.39Å; P239-N242 WeakPolarHBondContact CG-ND2 3.5Å; P239-N242 PolarHBondContact O-N 3Å; A240-N242 VanDerWaalsContact C-N 3.28Å; A240-N242 PolarHBondContact O-N 3.17Å; N242-N245 PolarHBondContact O-N 2.83Å; N242-I246 WeakPolarHBondContact O-CD1 3.21Å; N242-I246 VanDerWaalsContact O-CG1 3.22Å; N242-I246 WeakPolarHBondContact O-CG1 3.35Å; N242-I246 PolarHBondContact O-N 3.04Å; N242-I246 VanDerWaalsContact O-N 3.09Å |
| 243 | V | 64.4 | Low | 72.6 | Confident | 87 Ų | 87 | 101 Ų | 101 | 53% | 0.527 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -70.7 | -46.2 | -176.6 | -177.5 | 0 | 0 | 0 | 0 | 111 | N245 I246 D247 | V243-N245 PolarHBondContact O-N 3Å; V243-I246 WeakPolarHBondContact O-CB 3.38Å; V243-I246 PolarHBondContact O-N 2.86Å; V243-D247 PolarHBondContact O-N 3.43Å; V243-D247 VanDerWaalsContact O-N 3.13Å |
| 244 | L | 71.1 | Confident | 74.9 | Confident | 113 Ų | 113 | 100.8 Ų | 100.8 | 59% | 0.592 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -61.1 | -30.3 | 175 | -61.7 | 177.4 | 0 | 0 | 0 | 112.4 | N248 | L244-N248 VanDerWaalsContact O-CG 3.24Å; L244-N248 PolarHBondContact O-N 3.11Å; L244-N248 PolarHBondContact O-ND2 3.27Å |
| 245 | N | 83.6 | Confident | 77.2 | Confident | 73 Ų | 73 | 97.1 Ų | 97.1 | 39% | 0.39 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -78.3 | -23.6 | 176.8 | -74.3 | 55.1 | 0 | 0 | 0 | 113 | H241 N242 V243 K249 | H241-N245 PolarHBondContact ND1-OD1 2.89Å; H241-N245 PolarHBondContact O-OD1 3.15Å; N242-N245 PolarHBondContact O-N 2.83Å; V243-N245 PolarHBondContact O-N 3Å; N245-K249 WeakPolarHBondContact O-CD 2.94Å; N245-K249 VanDerWaalsContact O-CG 3.26Å; N245-K249 WeakPolarHBondContact O-CG 3.36Å; N245-K249 PolarHBondContact O-N 3.49Å |
| 246 | I | 92 | Very high | 79.8 | Confident | 91 Ų | 91 | 98.6 Ų | 98.6 | 47% | 0.467 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -76.1 | -45 | 174.8 | -69.6 | 160.1 | 0 | 0 | 0 | 109.7 | N242 V243 N248 K249 I250 | N242-I246 WeakPolarHBondContact O-CD1 3.21Å; N242-I246 VanDerWaalsContact O-CG1 3.22Å; N242-I246 WeakPolarHBondContact O-CG1 3.35Å; N242-I246 PolarHBondContact O-N 3.04Å; N242-I246 VanDerWaalsContact O-N 3.09Å; V243-I246 WeakPolarHBondContact O-CB 3.38Å; V243-I246 PolarHBondContact O-N 2.86Å; I246-N248 VanDerWaalsContact C-N 3.3Å; I246-N248 PolarHBondContact O-N 2.94Å; I246-K249 CarbonylContact O-C 3.59Å; I246-K249 WeakPolarHBondContact O-CA 3.21Å; I246-K249 WeakPolarHBondContact O-CB 3.31Å; I246-K249 PolarHBondContact O-N 3.44Å; I246-I250 HydrophobicContact CG2-CD1 3.78Å; I246-I250 HydrophobicContact CG2-CG1 4.3Å; I246-I250 WeakPolarHBondContact O-CG1 3.39Å; I246-I250 PolarHBondContact O-N 2.86Å |
| 247 | D | 94.5 | Very high | 81.9 | Confident | 88 Ų | 88 | 98 Ų | 98 | 47% | 0.471 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -58.7 | -43.5 | 177.8 | -64.3 | -24.5 | 0 | 0 | 0 | 111.1 | V243 K249 I250 E251 | V243-D247 PolarHBondContact O-N 3.43Å; V243-D247 VanDerWaalsContact O-N 3.13Å; D247-K249 VanDerWaalsContact C-N 3.3Å; D247-K249 PolarHBondContact O-N 3.19Å; D247-I250 PolarHBondContact O-N 3.45Å; D247-E251 WeakPolarHBondContact O-CB 3.32Å; D247-E251 PolarHBondContact O-N 2.92Å |
| 248 | N | 93.3 | Very high | 84.2 | Confident | 83 Ų | 83 | 97.7 Ų | 97.7 | 44% | 0.444 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.2 | -32.6 | 174.3 | -69 | -15.5 | 0 | 0 | 0 | 113.3 | L244 I246 Q252 | L244-N248 VanDerWaalsContact O-CG 3.24Å; L244-N248 PolarHBondContact O-N 3.11Å; L244-N248 PolarHBondContact O-ND2 3.27Å; I246-N248 VanDerWaalsContact C-N 3.3Å; I246-N248 PolarHBondContact O-N 2.94Å; N248-Q252 WeakPolarHBondContact O-CB 3.39Å; N248-Q252 WeakPolarHBondContact O-CG 3.38Å; N248-Q252 PolarHBondContact O-N 3.45Å; N248-Q252 PolarHBondContact O-NE2 3.25Å |
| 249 | K | 95.3 | Very high | 86 | Confident | 142 Ų | 142 | 95.4 Ų | 95.4 | 62% | 0.617 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -74.7 | -35.5 | 176.3 | -79.4 | 169.7 | 174.2 | -76.9 | 0 | 111.6 | N245 I246 D247 A253 | N245-K249 WeakPolarHBondContact O-CD 2.94Å; N245-K249 VanDerWaalsContact O-CG 3.26Å; N245-K249 WeakPolarHBondContact O-CG 3.36Å; N245-K249 PolarHBondContact O-N 3.49Å; I246-K249 CarbonylContact O-C 3.59Å; I246-K249 WeakPolarHBondContact O-CA 3.21Å; I246-K249 WeakPolarHBondContact O-CB 3.31Å; I246-K249 PolarHBondContact O-N 3.44Å; D247-K249 VanDerWaalsContact C-N 3.3Å; D247-K249 PolarHBondContact O-N 3.19Å; K249-A253 WeakPolarHBondContact O-CB 3.45Å; K249-A253 PolarHBondContact O-N 3.13Å |
| 250 | I | 95.8 | Very high | 88.1 | Confident | 101 Ų | 101 | 98 Ų | 98 | 52% | 0.518 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66 | -45.6 | 173.6 | -67.3 | 167.9 | 0 | 0 | 0 | 109.5 | I246 D247 Q252 A253 M254 | I246-I250 HydrophobicContact CG2-CD1 3.78Å; I246-I250 HydrophobicContact CG2-CG1 4.3Å; I246-I250 WeakPolarHBondContact O-CG1 3.39Å; I246-I250 PolarHBondContact O-N 2.86Å; D247-I250 PolarHBondContact O-N 3.45Å; I250-Q252 PolarHBondContact O-N 3.22Å; I250-A253 PolarHBondContact O-N 3.04Å; I250-M254 WeakPolarHBondContact O-CB 3.49Å; I250-M254 PolarHBondContact O-N 3.49Å |
| 251 | E | 96.3 | Very high | 90 | Very high | 106 Ų | 106 | 99.5 Ų | 99.5 | 50% | 0.495 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60 | -45.8 | 177.1 | -171.2 | 170.8 | -158.2 | 0 | 0 | 111.4 | D247 A253 M254 D255 | D247-E251 WeakPolarHBondContact O-CB 3.32Å; D247-E251 PolarHBondContact O-N 2.92Å; E251-A253 PolarHBondContact O-N 3.19Å; E251-M254 PolarHBondContact O-N 3.03Å; E251-D255 PolarHBondContact O-N 3.08Å |
| 252 | Q | 96.9 | Very high | 91.7 | Very high | 132 Ų | 132 | 98.5 Ų | 98.5 | 62% | 0.617 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.7 | -44.1 | 174.4 | -77.6 | 168.9 | 61 | 0 | 0 | 113.1 | N248 I250 M254 D255 L256 | N248-Q252 WeakPolarHBondContact O-CB 3.39Å; N248-Q252 WeakPolarHBondContact O-CG 3.38Å; N248-Q252 PolarHBondContact O-N 3.45Å; N248-Q252 PolarHBondContact O-NE2 3.25Å; I250-Q252 PolarHBondContact O-N 3.22Å; Q252-M254 VanDerWaalsContact C-N 3.31Å; Q252-M254 PolarHBondContact O-N 2.93Å; Q252-D255 PolarHBondContact O-N 2.71Å; Q252-L256 WeakPolarHBondContact O-CB 3.31Å; Q252-L256 PolarHBondContact O-N 3.44Å |
| 253 | A | 97.7 | Very high | 93.5 | Very high | 56 Ų | 56 | 100.3 Ų | 100.3 | 46% | 0.463 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.5 | -39.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | K249 I250 E251 L256 V257 | K249-A253 WeakPolarHBondContact O-CB 3.45Å; K249-A253 PolarHBondContact O-N 3.13Å; I250-A253 PolarHBondContact O-N 3.04Å; E251-A253 PolarHBondContact O-N 3.19Å; A253-L256 PolarHBondContact O-N 3.16Å; A253-V257 VanDerWaalsContact O-CG2 3.31Å; A253-V257 WeakPolarHBondContact O-CG2 3.36Å; A253-V257 PolarHBondContact O-N 2.97Å |
| 254 | M | 98.3 | Very high | 95.1 | Very high | 105 Ų | 105 | 97.9 Ų | 97.9 | 52% | 0.517 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.2 | -43 | 177.5 | -174.8 | 177.7 | 61.5 | 0 | 0 | 111.9 | I250 E251 Q252 L256 V257 K258 | I250-M254 WeakPolarHBondContact O-CB 3.49Å; I250-M254 PolarHBondContact O-N 3.49Å; E251-M254 PolarHBondContact O-N 3.03Å; Q252-M254 VanDerWaalsContact C-N 3.31Å; Q252-M254 PolarHBondContact O-N 2.93Å; M254-L256 VanDerWaalsContact C-N 3.32Å; M254-V257 PolarHBondContact O-N 3.11Å; M254-K258 WeakPolarHBondContact O-CB 3.21Å; M254-K258 PolarHBondContact O-N 2.67Å |
| 255 | D | 97.9 | Very high | 96.4 | Very high | 64 Ų | 64 | 96.2 Ų | 96.2 | 34% | 0.342 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.5 | -34.1 | 176.6 | -77.4 | -22.4 | 0 | 0 | 0 | 112.1 | E251 Q252 K258 T259 | E251-D255 PolarHBondContact O-N 3.08Å; Q252-D255 PolarHBondContact O-N 2.71Å; D255-K258 PolarHBondContact O-N 2.89Å; D255-K258 IonicContact OD1-NZ 2.76Å; D255-K258 PolarHBondContact OD1-NZ 3.37Å; D255-T259 WeakPolarHBondContact O-CB 3.11Å; D255-T259 VanDerWaalsContact O-CG2 3.3Å; D255-T259 WeakPolarHBondContact O-CG2 3.35Å; D255-T259 PolarHBondContact O-N 2.94Å; D255-T259 PolarHBondContact O-OG1 3.38Å |
| 256 | L | 98.1 | Very high | 97.1 | Very high | 121 Ų | 121 | 99.6 Ų | 99.6 | 63% | 0.634 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.6 | -46.2 | 171 | -176.5 | 64.5 | 0 | 0 | 0 | 111.5 | Q252 A253 M254 K258 T259 H260 | Q252-L256 WeakPolarHBondContact O-CB 3.31Å; Q252-L256 PolarHBondContact O-N 3.44Å; A253-L256 PolarHBondContact O-N 3.16Å; M254-L256 VanDerWaalsContact C-N 3.32Å; L256-K258 VanDerWaalsContact C-N 3.32Å; L256-K258 PolarHBondContact O-N 3.48Å; L256-T259 WeakPolarHBondContact CA-OG1 3.26Å; L256-T259 PolarHBondContact O-N 3.24Å; L256-T259 PolarHBondContact O-OG1 2.98Å; L256-H260 VanDerWaalsContact O-CB 3.32Å; L256-H260 WeakPolarHBondContact O-CB 3.41Å; L256-H260 PolarHBondContact O-N 3.24Å |
| 257 | V | 98.3 | Very high | 97.4 | Very high | 100 Ų | 100 | 102.1 Ų | 102.1 | 61% | 0.606 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.5 | -43.1 | 176.2 | 170 | 0 | 0 | 0 | 0 | 110.8 | A253 M254 H260 L261 | A253-V257 VanDerWaalsContact O-CG2 3.31Å; A253-V257 WeakPolarHBondContact O-CG2 3.36Å; A253-V257 PolarHBondContact O-N 2.97Å; M254-V257 PolarHBondContact O-N 3.11Å; V257-H260 PolarHBondContact O-N 3.5Å; V257-L261 WeakPolarHBondContact O-CB 3.33Å; V257-L261 PolarHBondContact O-N 3.02Å |
| 258 | K | 98.5 | Very high | 97.6 | Very high | 104 Ų | 104 | 104.1 Ų | 104.1 | 45% | 0.452 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.2 | -50.5 | 178.1 | -175.1 | -170.9 | -63.9 | 150.8 | 0 | 111.2 | M254 D255 L256 L261 M262 | M254-K258 WeakPolarHBondContact O-CB 3.21Å; M254-K258 PolarHBondContact O-N 2.67Å; D255-K258 PolarHBondContact O-N 2.89Å; D255-K258 IonicContact OD1-NZ 2.76Å; D255-K258 PolarHBondContact OD1-NZ 3.37Å; L256-K258 VanDerWaalsContact C-N 3.32Å; L256-K258 PolarHBondContact O-N 3.48Å; K258-L261 PolarHBondContact O-N 3.21Å; K258-M262 HydrophobicContact CG-SD 4.4Å; K258-M262 WeakPolarHBondContact O-CB 3.42Å; K258-M262 VanDerWaalsContact O-CG 3.25Å; K258-M262 WeakPolarHBondContact O-CG 3.33Å; K258-M262 PolarHBondContact O-N 3.05Å |
| 259 | T | 98.1 | Very high | 97.8 | Very high | 61 Ų | 61 | 102.9 Ų | 102.9 | 37% | 0.374 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 178.3 | 52.1 | 0 | 0 | 0 | 0 | 111.4 | D255 L256 L261 M262 F263 | D255-T259 WeakPolarHBondContact O-CB 3.11Å; D255-T259 VanDerWaalsContact O-CG2 3.3Å; D255-T259 WeakPolarHBondContact O-CG2 3.35Å; D255-T259 PolarHBondContact O-N 2.94Å; D255-T259 PolarHBondContact O-OG1 3.38Å; L256-T259 WeakPolarHBondContact CA-OG1 3.26Å; L256-T259 PolarHBondContact O-N 3.24Å; L256-T259 PolarHBondContact O-OG1 2.98Å; T259-L261 PolarHBondContact O-N 3.41Å; T259-M262 PolarHBondContact O-N 3.06Å; T259-F263 WeakPolarHBondContact O-CD2 3.47Å; T259-F263 PolarHBondContact O-N 2.87Å |
| 260 | H | 98.3 | Very high | 98 | Very high | 132 Ų | 132 | 99.9 Ų | 99.9 | 61% | 0.611 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.2 | -45.7 | 176.9 | -172.5 | 61 | 0 | 0 | 0 | 112.2 | L256 V257 M262 F263 A264 | L256-H260 VanDerWaalsContact O-CB 3.32Å; L256-H260 WeakPolarHBondContact O-CB 3.41Å; L256-H260 PolarHBondContact O-N 3.24Å; V257-H260 PolarHBondContact O-N 3.5Å; H260-M262 PolarHBondContact O-N 3.33Å; H260-F263 PolarHBondContact O-N 2.8Å; H260-A264 WeakPolarHBondContact O-CB 3.44Å; H260-A264 PolarHBondContact O-N 2.92Å |
| 261 | L | 98.5 | Very high | 98.1 | Very high | 107 Ų | 107 | 97.3 Ų | 97.3 | 56% | 0.56 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.8 | -42 | 177.3 | -176.6 | 63.1 | 0 | 0 | 0 | 111.6 | V257 K258 T259 F263 A264 V265 | V257-L261 WeakPolarHBondContact O-CB 3.33Å; V257-L261 PolarHBondContact O-N 3.02Å; K258-L261 PolarHBondContact O-N 3.21Å; T259-L261 PolarHBondContact O-N 3.41Å; L261-F263 VanDerWaalsContact C-N 3.29Å; L261-F263 PolarHBondContact O-N 3.34Å; L261-A264 PolarHBondContact O-N 2.98Å; L261-V265 HydrophobicContact CD1-CG2 3.73Å; L261-V265 HydrophobicContact CG-CG2 4.09Å; L261-V265 VanDerWaalsContact O-CB 3.28Å; L261-V265 WeakPolarHBondContact O-CB 3.49Å; L261-V265 WeakPolarHBondContact O-CG2 3.39Å; L261-V265 PolarHBondContact O-N 3.13Å |
| 262 | M | 97.9 | Very high | 98.2 | Very high | 114 Ų | 114 | 97.3 Ų | 97.3 | 56% | 0.562 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59 | -41.9 | 176.1 | -75.5 | -179.7 | 68.1 | 0 | 0 | 112.1 | K258 T259 H260 R266 | K258-M262 HydrophobicContact CG-SD 4.4Å; K258-M262 WeakPolarHBondContact O-CB 3.42Å; K258-M262 VanDerWaalsContact O-CG 3.25Å; K258-M262 WeakPolarHBondContact O-CG 3.33Å; K258-M262 PolarHBondContact O-N 3.05Å; T259-M262 PolarHBondContact O-N 3.06Å; H260-M262 PolarHBondContact O-N 3.33Å; M262-R266 VanDerWaalsContact O-CB 3.3Å; M262-R266 WeakPolarHBondContact O-CB 3.46Å; M262-R266 PolarHBondContact O-N 3.14Å; M262-R266 VanDerWaalsContact O-N 3.1Å |
| 263 | F | 98.1 | Very high | 98.3 | Very high | 126 Ų | 126 | 98.4 Ų | 98.4 | 55% | 0.553 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -69.3 | -49.2 | 177 | -71.9 | -60 | 0 | 0 | 0 | 112 | T259 H260 L261 V265 R266 E267 | T259-F263 WeakPolarHBondContact O-CD2 3.47Å; T259-F263 PolarHBondContact O-N 2.87Å; H260-F263 PolarHBondContact O-N 2.8Å; L261-F263 VanDerWaalsContact C-N 3.29Å; L261-F263 PolarHBondContact O-N 3.34Å; F263-V265 VanDerWaalsContact C-N 3.34Å; F263-V265 PolarHBondContact O-N 3.34Å; F263-R266 PolarHBondContact O-N 3.5Å; F263-E267 PolarHBondContact O-N 3.44Å |
| 264 | A | 98.3 | Very high | 98.3 | Very high | 37 Ų | 37 | 97.2 Ų | 97.2 | 31% | 0.306 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.2 | -45.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | H260 L261 R266 E267 E268 | H260-A264 WeakPolarHBondContact O-CB 3.44Å; H260-A264 PolarHBondContact O-N 2.92Å; L261-A264 PolarHBondContact O-N 2.98Å; A264-R266 PolarHBondContact O-N 2.9Å; A264-E267 PolarHBondContact O-N 2.82Å; A264-E268 WeakPolarHBondContact O-CG 3.4Å; A264-E268 PolarHBondContact O-N 3.37Å |
| 265 | V | 98.6 | Very high | 98.3 | Very high | 77 Ų | 77 | 98.9 Ų | 98.9 | 47% | 0.467 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.8 | -40.3 | 178.1 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | L261 F263 E268 V269 | L261-V265 HydrophobicContact CD1-CG2 3.73Å; L261-V265 HydrophobicContact CG-CG2 4.09Å; L261-V265 VanDerWaalsContact O-CB 3.28Å; L261-V265 WeakPolarHBondContact O-CB 3.49Å; L261-V265 WeakPolarHBondContact O-CG2 3.39Å; L261-V265 PolarHBondContact O-N 3.13Å; F263-V265 VanDerWaalsContact C-N 3.34Å; F263-V265 PolarHBondContact O-N 3.34Å; V265-E268 PolarHBondContact O-N 2.92Å; V265-V269 HydrophobicContact CG1-CG2 4.37Å; V265-V269 WeakPolarHBondContact O-CB 3.44Å; V265-V269 VanDerWaalsContact O-CG2 3.24Å; V265-V269 WeakPolarHBondContact O-CG2 3.25Å; V265-V269 PolarHBondContact O-N 2.97Å |
| 266 | R | 98.1 | Very high | 98.4 | Very high | 144 Ų | 144 | 100.2 Ų | 100.2 | 54% | 0.543 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.6 | -47.4 | 176 | 178.5 | 178 | -72.1 | 154.9 | -3 | 111.1 | M262 F263 A264 E268 V269 D270 | M262-R266 VanDerWaalsContact O-CB 3.3Å; M262-R266 WeakPolarHBondContact O-CB 3.46Å; M262-R266 PolarHBondContact O-N 3.14Å; M262-R266 VanDerWaalsContact O-N 3.1Å; F263-R266 PolarHBondContact O-N 3.5Å; A264-R266 PolarHBondContact O-N 2.9Å; R266-E268 PolarHBondContact O-N 2.86Å; R266-V269 PolarHBondContact O-N 3.46Å; R266-D270 WeakPolarHBondContact CG-OD2 3.44Å; R266-D270 WeakPolarHBondContact O-CB 3.44Å; R266-D270 PolarHBondContact O-N 3.39Å |
| 267 | E | 98.3 | Very high | 98.4 | Very high | 144 Ų | 144 | 100.2 Ų | 100.2 | 67% | 0.673 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60 | -45.9 | 179.2 | -174.5 | 176.7 | -179.7 | 0 | 0 | 111.7 | F263 A264 V269 D270 G271 | F263-E267 PolarHBondContact O-N 3.44Å; A264-E267 PolarHBondContact O-N 2.82Å; E267-V269 PolarHBondContact O-N 3.27Å; E267-D270 PolarHBondContact O-N 2.97Å; E267-G271 PolarHBondContact O-N 3.39Å |
| 268 | E | 98.3 | Very high | 98.4 | Very high | 130 Ų | 130 | 100.6 Ų | 100.6 | 61% | 0.607 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.7 | -41.9 | 176.7 | -69.6 | -61.6 | 146.6 | 0 | 0 | 111.9 | A264 V265 R266 G271 L272 | A264-E268 WeakPolarHBondContact O-CG 3.4Å; A264-E268 PolarHBondContact O-N 3.37Å; V265-E268 PolarHBondContact O-N 2.92Å; R266-E268 PolarHBondContact O-N 2.86Å; E268-G271 PolarHBondContact O-N 2.98Å; E268-L272 WeakPolarHBondContact O-CB 3.42Å; E268-L272 VanDerWaalsContact O-CG 3.25Å; E268-L272 WeakPolarHBondContact O-CG 3.47Å; E268-L272 PolarHBondContact O-N 3.11Å |
| 269 | V | 98.7 | Very high | 98.4 | Very high | 57 Ų | 57 | 100.4 Ų | 100.4 | 35% | 0.345 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.8 | -45.6 | 177.2 | 168.2 | 0 | 0 | 0 | 0 | 111.5 | V265 R266 E267 G271 L272 R273 | V265-V269 HydrophobicContact CG1-CG2 4.37Å; V265-V269 WeakPolarHBondContact O-CB 3.44Å; V265-V269 VanDerWaalsContact O-CG2 3.24Å; V265-V269 WeakPolarHBondContact O-CG2 3.25Å; V265-V269 PolarHBondContact O-N 2.97Å; R266-V269 PolarHBondContact O-N 3.46Å; E267-V269 PolarHBondContact O-N 3.27Å; V269-G271 VanDerWaalsContact C-N 3.33Å; V269-L272 PolarHBondContact O-N 3.49Å; V269-R273 WeakPolarHBondContact O-CB 3.29Å; V269-R273 VanDerWaalsContact O-CG 3.27Å; V269-R273 WeakPolarHBondContact O-CG 3.48Å; V269-R273 PolarHBondContact O-N 2.98Å |
| 270 | D | 98.4 | Very high | 98.4 | Very high | 79 Ų | 79 | 102.3 Ų | 102.3 | 42% | 0.422 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.7 | -36.4 | 179.3 | -70.3 | -23.4 | 0 | 0 | 0 | 111.1 | R266 E267 R273 G274 | R266-D270 WeakPolarHBondContact CG-OD2 3.44Å; R266-D270 WeakPolarHBondContact O-CB 3.44Å; R266-D270 PolarHBondContact O-N 3.39Å; E267-D270 PolarHBondContact O-N 2.97Å; D270-R273 PolarHBondContact O-N 2.75Å; D270-R273 IonicContact OD1-NH1 3.34Å; D270-R273 PolarHBondContact OD1-NH1 2.89Å; D270-G274 PolarHBondContact O-N 3.4Å |
| 271 | G | 98.5 | Very high | 98.4 | Very high | 47 Ų | 47 | 98 Ų | 98 | 49% | 0.485 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.1 | -44.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E267 E268 V269 G274 K275 | E267-G271 PolarHBondContact O-N 3.39Å; E268-G271 PolarHBondContact O-N 2.98Å; V269-G271 VanDerWaalsContact C-N 3.33Å; G271-G274 PolarHBondContact O-N 2.94Å; G271-K275 PolarHBondContact O-N 3.27Å |
| 272 | L | 98.8 | Very high | 98.4 | Very high | 106 Ų | 106 | 97.3 Ų | 97.3 | 56% | 0.555 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.2 | -42.4 | 175.4 | -72.8 | 174.1 | 0 | 0 | 0 | 112 | E268 V269 G274 K275 I276 | E268-L272 WeakPolarHBondContact O-CB 3.42Å; E268-L272 VanDerWaalsContact O-CG 3.25Å; E268-L272 WeakPolarHBondContact O-CG 3.47Å; E268-L272 PolarHBondContact O-N 3.11Å; V269-L272 PolarHBondContact O-N 3.49Å; L272-G274 VanDerWaalsContact C-N 3.35Å; L272-G274 PolarHBondContact O-N 2.72Å; L272-K275 PolarHBondContact O-N 3.49Å; L272-I276 VanDerWaalsContact O-CG1 3.29Å; L272-I276 WeakPolarHBondContact O-CG1 3.24Å; L272-I276 PolarHBondContact O-N 3.41Å |
| 273 | R | 98.4 | Very high | 98.4 | Very high | 155 Ų | 155 | 95.2 Ų | 95.2 | 59% | 0.585 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -59.2 | -45 | 175.4 | -75.2 | 168.5 | 171.3 | -179.4 | -6.2 | 111.8 | V269 D270 K275 I276 F277 | V269-R273 WeakPolarHBondContact O-CB 3.29Å; V269-R273 VanDerWaalsContact O-CG 3.27Å; V269-R273 WeakPolarHBondContact O-CG 3.48Å; V269-R273 PolarHBondContact O-N 2.98Å; D270-R273 PolarHBondContact O-N 2.75Å; D270-R273 IonicContact OD1-NH1 3.34Å; D270-R273 PolarHBondContact OD1-NH1 2.89Å; R273-K275 PolarHBondContact O-N 3.1Å; R273-I276 PolarHBondContact O-N 2.9Å; R273-F277 WeakPolarHBondContact O-CB 3.24Å; R273-F277 PolarHBondContact O-N 3.27Å |
| 274 | G | 98.6 | Very high | 98.4 | Very high | 32 Ų | 32 | 95.9 Ų | 95.9 | 33% | 0.33 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.5 | -45.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | D270 G271 L272 I276 F277 D278 | D270-G274 PolarHBondContact O-N 3.4Å; G271-G274 PolarHBondContact O-N 2.94Å; L272-G274 VanDerWaalsContact C-N 3.35Å; L272-G274 PolarHBondContact O-N 2.72Å; G274-I276 PolarHBondContact O-N 3.4Å; G274-F277 WeakPolarHBondContact O-CB 3.28Å; G274-F277 PolarHBondContact O-N 3Å; G274-D278 PolarHBondContact O-N 3.42Å |
| 275 | K | 98.5 | Very high | 98.4 | Very high | 139 Ų | 139 | 101 Ų | 101 | 60% | 0.604 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64 | -39.7 | 178.6 | -172.3 | 162.7 | -176.1 | 172.3 | 0 | 113.2 | G271 L272 R273 L279 | G271-K275 PolarHBondContact O-N 3.27Å; L272-K275 PolarHBondContact O-N 3.49Å; R273-K275 PolarHBondContact O-N 3.1Å; K275-L279 HydrophobicContact CG-CD1 4.11Å; K275-L279 WeakPolarHBondContact O-CB 3.43Å; K275-L279 VanDerWaalsContact O-CG 3.26Å; K275-L279 WeakPolarHBondContact O-CG 3.19Å; K275-L279 PolarHBondContact O-N 2.89Å |
| 276 | I | 98.6 | Very high | 98.4 | Very high | 93 Ų | 93 | 101 Ų | 101 | 48% | 0.477 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.5 | -50.3 | 174 | -70.2 | 164.2 | 0 | 0 | 0 | 109.4 | L272 R273 G274 D278 L279 E280 | L272-I276 VanDerWaalsContact O-CG1 3.29Å; L272-I276 WeakPolarHBondContact O-CG1 3.24Å; L272-I276 PolarHBondContact O-N 3.41Å; R273-I276 PolarHBondContact O-N 2.9Å; G274-I276 PolarHBondContact O-N 3.4Å; I276-D278 VanDerWaalsContact C-N 3.35Å; I276-D278 PolarHBondContact O-N 3.46Å; I276-L279 PolarHBondContact O-N 3.34Å; I276-E280 HydrophobicContact CG2-CG 4.23Å; I276-E280 WeakPolarHBondContact O-CB 3.19Å; I276-E280 WeakPolarHBondContact O-CG 3.34Å; I276-E280 PolarHBondContact O-N 3.18Å |
| 277 | F | 98.5 | Very high | 98.4 | Very high | 121 Ų | 121 | 100.1 Ų | 100.1 | 53% | 0.531 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57.4 | -45.2 | 179.7 | 179.5 | -102.6 | 0 | 0 | 0 | 112.7 | R273 G274 E280 N281 | R273-F277 WeakPolarHBondContact O-CB 3.24Å; R273-F277 PolarHBondContact O-N 3.27Å; G274-F277 WeakPolarHBondContact O-CB 3.28Å; G274-F277 PolarHBondContact O-N 3Å; F277-E280 PolarHBondContact O-N 3.4Å; F277-N281 VanDerWaalsContact CD1-ND2 3.33Å; F277-N281 WeakPolarHBondContact CD1-ND2 3.48Å; F277-N281 WeakPolarHBondContact CE1-ND2 2.99Å; F277-N281 WeakPolarHBondContact CZ-ND2 3.27Å; F277-N281 WeakPolarHBondContact O-CB 3.46Å; F277-N281 PolarHBondContact O-N 2.76Å; F277-N281 PolarHBondContact O-ND2 2.88Å; F277-N281 VanDerWaalsContact O-ND2 3.13Å |
| 278 | D | 98.5 | Very high | 98.3 | Very high | 107 Ų | 107 | 95.8 Ų | 95.8 | 57% | 0.572 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.1 | -42.5 | 178.2 | -73.1 | -21 | 0 | 0 | 0 | 112.3 | G274 I276 N281 H282 | G274-D278 PolarHBondContact O-N 3.42Å; I276-D278 VanDerWaalsContact C-N 3.35Å; I276-D278 PolarHBondContact O-N 3.46Å; D278-N281 PolarHBondContact O-N 2.85Å; D278-H282 WeakPolarHBondContact O-CB 3.49Å; D278-H282 PolarHBondContact O-N 3.46Å |
| 279 | L | 98.7 | Very high | 98.2 | Very high | 100 Ų | 100 | 94 Ų | 94 | 52% | 0.524 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66 | -43.2 | 177.3 | -73.8 | 172.2 | 0 | 0 | 0 | 111.7 | K275 I276 N281 H282 V283 | K275-L279 HydrophobicContact CG-CD1 4.11Å; K275-L279 WeakPolarHBondContact O-CB 3.43Å; K275-L279 VanDerWaalsContact O-CG 3.26Å; K275-L279 WeakPolarHBondContact O-CG 3.19Å; K275-L279 PolarHBondContact O-N 2.89Å; I276-L279 PolarHBondContact O-N 3.34Å; L279-N281 VanDerWaalsContact C-N 3.32Å; L279-N281 PolarHBondContact O-N 2.9Å; L279-H282 PolarHBondContact O-N 3.46Å; L279-V283 WeakPolarHBondContact O-CG2 3.25Å; L279-V283 PolarHBondContact O-N 2.85Å |
| 280 | E | 98.4 | Very high | 98 | Very high | 102 Ų | 102 | 94.9 Ų | 94.9 | 48% | 0.477 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.5 | -42.8 | 175.4 | -73.9 | 178.4 | 168.9 | 0 | 0 | 111.6 | I276 F277 H282 V283 R284 | I276-E280 HydrophobicContact CG2-CG 4.23Å; I276-E280 WeakPolarHBondContact O-CB 3.19Å; I276-E280 WeakPolarHBondContact O-CG 3.34Å; I276-E280 PolarHBondContact O-N 3.18Å; F277-E280 PolarHBondContact O-N 3.4Å; E280-H282 VanDerWaalsContact C-N 3.33Å; E280-H282 PolarHBondContact O-N 3.32Å; E280-V283 PolarHBondContact O-N 3.28Å; E280-R284 WeakPolarHBondContact O-CB 3.48Å; E280-R284 PolarHBondContact O-N 2.88Å |
| 281 | N | 98.3 | Very high | 97.7 | Very high | 41 Ų | 41 | 93.4 Ų | 93.4 | 22% | 0.219 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -65 | -37.9 | 175.5 | -71.5 | -29.2 | 0 | 0 | 0 | 112.2 | F277 D278 L279 R284 R285 | F277-N281 VanDerWaalsContact CD1-ND2 3.33Å; F277-N281 WeakPolarHBondContact CD1-ND2 3.48Å; F277-N281 WeakPolarHBondContact CE1-ND2 2.99Å; F277-N281 WeakPolarHBondContact CZ-ND2 3.27Å; F277-N281 WeakPolarHBondContact O-CB 3.46Å; F277-N281 PolarHBondContact O-N 2.76Å; F277-N281 PolarHBondContact O-ND2 2.88Å; F277-N281 VanDerWaalsContact O-ND2 3.13Å; D278-N281 PolarHBondContact O-N 2.85Å; L279-N281 VanDerWaalsContact C-N 3.32Å; L279-N281 PolarHBondContact O-N 2.9Å; N281-R284 PolarHBondContact OD1-NH1 2.84Å; N281-R285 WeakPolarHBondContact O-CB 3.42Å; N281-R285 PolarHBondContact O-N 2.89Å; N281-R285 VanDerWaalsContact O-N 3.13Å |
| 282 | H | 98.4 | Very high | 97.4 | Very high | 92 Ų | 92 | 95.6 Ų | 95.6 | 43% | 0.426 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.5 | -47 | 175.9 | -172 | 59.3 | 0 | 0 | 0 | 111.4 | D278 L279 E280 R284 R285 L286 | D278-H282 WeakPolarHBondContact O-CB 3.49Å; D278-H282 PolarHBondContact O-N 3.46Å; L279-H282 PolarHBondContact O-N 3.46Å; E280-H282 VanDerWaalsContact C-N 3.33Å; E280-H282 PolarHBondContact O-N 3.32Å; H282-R284 PolarHBondContact O-N 3.43Å; H282-R285 WeakPolarHBondContact O-CB 3.31Å; H282-R285 PolarHBondContact O-N 3.43Å; H282-L286 WeakPolarHBondContact NE2-CD1 3.43Å; H282-L286 WeakPolarHBondContact O-CG 3.33Å; H282-L286 PolarHBondContact O-N 3.41Å |
| 283 | V | 98.4 | Very high | 97.1 | Very high | 71 Ų | 71 | 95.1 Ų | 95.1 | 43% | 0.43 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -57.9 | -49.6 | 175.4 | 169.5 | 0 | 0 | 0 | 0 | 110.5 | L279 E280 R285 L286 E287 | L279-V283 WeakPolarHBondContact O-CG2 3.25Å; L279-V283 PolarHBondContact O-N 2.85Å; E280-V283 PolarHBondContact O-N 3.28Å; V283-R285 VanDerWaalsContact C-N 3.27Å; V283-R285 PolarHBondContact O-N 2.93Å; V283-L286 CarbonylContact O-C 3.59Å; V283-L286 PolarHBondContact O-N 3.23Å; V283-L286 VanDerWaalsContact O-N 3.11Å; V283-E287 HydrophobicContact CG1-CG 4.1Å; V283-E287 WeakPolarHBondContact O-CB 3.34Å; V283-E287 WeakPolarHBondContact O-CG 3.36Å; V283-E287 PolarHBondContact O-N 2.86Å |
| 284 | R | 98 | Very high | 96.7 | Very high | 139 Ų | 139 | 93.4 Ų | 93.4 | 53% | 0.525 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -57.8 | -40.3 | 179.7 | -167.1 | -175.2 | -56.1 | 109.7 | 5 | 112.4 | E280 N281 H282 A288 | E280-R284 WeakPolarHBondContact O-CB 3.48Å; E280-R284 PolarHBondContact O-N 2.88Å; N281-R284 PolarHBondContact OD1-NH1 2.84Å; H282-R284 PolarHBondContact O-N 3.43Å; R284-A288 WeakPolarHBondContact O-CB 3.3Å; R284-A288 PolarHBondContact O-N 3.19Å |
| 285 | R | 98.1 | Very high | 96.2 | Very high | 145 Ų | 145 | 100.7 Ų | 100.7 | 55% | 0.547 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.9 | -49 | 175.9 | -170.7 | -163.9 | -37.1 | -146.5 | 0.9 | 111.3 | N281 H282 V283 E287 A288 E289 | N281-R285 WeakPolarHBondContact O-CB 3.42Å; N281-R285 PolarHBondContact O-N 2.89Å; N281-R285 VanDerWaalsContact O-N 3.13Å; H282-R285 WeakPolarHBondContact O-CB 3.31Å; H282-R285 PolarHBondContact O-N 3.43Å; V283-R285 VanDerWaalsContact C-N 3.27Å; V283-R285 PolarHBondContact O-N 2.93Å; R285-E287 VanDerWaalsContact C-N 3.3Å; R285-E287 PolarHBondContact O-N 3.49Å; R285-A288 WeakPolarHBondContact O-CB 3.3Å; R285-A288 PolarHBondContact O-N 2.98Å; R285-E289 WeakPolarHBondContact CG-OE1 3.42Å; R285-E289 WeakPolarHBondContact O-CG 3.37Å; R285-E289 PolarHBondContact O-N 2.92Å |
| 286 | L | 98.2 | Very high | 95.7 | Very high | 78 Ų | 78 | 99 Ų | 99 | 41% | 0.408 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.1 | -38.5 | 177.9 | -72 | 178.8 | 0 | 0 | 0 | 111.9 | H282 V283 E289 N290 | H282-L286 WeakPolarHBondContact NE2-CD1 3.43Å; H282-L286 WeakPolarHBondContact O-CG 3.33Å; H282-L286 PolarHBondContact O-N 3.41Å; V283-L286 CarbonylContact O-C 3.59Å; V283-L286 PolarHBondContact O-N 3.23Å; V283-L286 VanDerWaalsContact O-N 3.11Å; L286-E289 PolarHBondContact O-N 3.24Å; L286-N290 WeakPolarHBondContact O-CB 3.44Å; L286-N290 PolarHBondContact O-N 2.95Å |
| 287 | E | 97.1 | Very high | 95.2 | Very high | 125 Ų | 125 | 97.1 Ų | 97.1 | 58% | 0.584 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -63.8 | -41.4 | 174.9 | -74.6 | 176.8 | 162.2 | 0 | 0 | 111.7 | V283 R285 N290 S291 | V283-E287 HydrophobicContact CG1-CG 4.1Å; V283-E287 WeakPolarHBondContact O-CB 3.34Å; V283-E287 WeakPolarHBondContact O-CG 3.36Å; V283-E287 PolarHBondContact O-N 2.86Å; R285-E287 VanDerWaalsContact C-N 3.3Å; R285-E287 PolarHBondContact O-N 3.49Å; E287-N290 PolarHBondContact O-N 3.24Å; E287-S291 WeakPolarHBondContact O-CB 3.45Å; E287-S291 PolarHBondContact O-N 3.35Å |
| 288 | A | 96.3 | Very high | 94.5 | Very high | 52 Ų | 52 | 95.5 Ų | 95.5 | 43% | 0.43 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.5 | -48.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | R284 R285 S291 I292 | R284-A288 WeakPolarHBondContact O-CB 3.3Å; R284-A288 PolarHBondContact O-N 3.19Å; R285-A288 WeakPolarHBondContact O-CB 3.3Å; R285-A288 PolarHBondContact O-N 2.98Å; A288-S291 WeakPolarHBondContact O-CB 3.39Å; A288-S291 PolarHBondContact O-N 3.36Å; A288-I292 WeakPolarHBondContact O-CG1 3.47Å; A288-I292 PolarHBondContact O-N 3.44Å |
| 289 | E | 96 | Very high | 93.7 | Very high | 94 Ų | 94 | 96 Ų | 96 | 44% | 0.439 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.3 | -47.5 | 175.6 | -71.5 | 173.1 | -160.1 | 0 | 0 | 111.3 | R285 L286 S291 I292 L293 | R285-E289 WeakPolarHBondContact CG-OE1 3.42Å; R285-E289 WeakPolarHBondContact O-CG 3.37Å; R285-E289 PolarHBondContact O-N 2.92Å; L286-E289 PolarHBondContact O-N 3.24Å; E289-S291 VanDerWaalsContact C-N 3.32Å; E289-S291 PolarHBondContact O-N 3.04Å; E289-I292 PolarHBondContact O-N 3.45Å; E289-L293 VanDerWaalsContact O-CG 3.31Å; E289-L293 WeakPolarHBondContact O-CG 3.37Å; E289-L293 PolarHBondContact O-N 2.89Å |
| 290 | N | 94.4 | Very high | 92.8 | Very high | 75 Ų | 75 | 96.3 Ų | 96.3 | 40% | 0.401 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.3 | -39.1 | 179 | -165.3 | -65.4 | 0 | 0 | 0 | 111.5 | L286 E287 I292 L293 K294 | L286-N290 WeakPolarHBondContact O-CB 3.44Å; L286-N290 PolarHBondContact O-N 2.95Å; E287-N290 PolarHBondContact O-N 3.24Å; N290-I292 VanDerWaalsContact C-N 3.34Å; N290-I292 PolarHBondContact O-N 3.22Å; N290-L293 PolarHBondContact O-N 3.01Å; N290-K294 WeakPolarHBondContact O-CB 3.32Å; N290-K294 VanDerWaalsContact O-CG 3.31Å; N290-K294 WeakPolarHBondContact O-CG 3.43Å; N290-K294 PolarHBondContact O-N 3.13Å; N290-K294 WeakPolarHBondContact OD1-CD 3.4Å; N290-K294 WeakPolarHBondContact OD1-CE 3.22Å; N290-K294 PolarHBondContact OD1-NZ 3.3Å; N290-K294 VanDerWaalsContact OD1-NZ 3.09Å |
| 291 | S | 92.6 | Very high | 92 | Very high | 48 Ų | 48 | 94.8 Ų | 94.8 | 34% | 0.336 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.9 | -39.8 | 175.1 | -171.7 | 0 | 0 | 0 | 0 | 112.2 | E287 A288 E289 R295 | E287-S291 WeakPolarHBondContact O-CB 3.45Å; E287-S291 PolarHBondContact O-N 3.35Å; A288-S291 WeakPolarHBondContact O-CB 3.39Å; A288-S291 PolarHBondContact O-N 3.36Å; E289-S291 VanDerWaalsContact C-N 3.32Å; E289-S291 PolarHBondContact O-N 3.04Å; S291-R295 WeakPolarHBondContact O-CG 3.43Å; S291-R295 PolarHBondContact O-N 3.02Å; S291-R295 PolarHBondContact O-NE 3.24Å; S291-R295 VanDerWaalsContact O-NE 3.09Å; S291-R295 PolarHBondContact OG-NE 3.48Å; S291-R295 PolarHBondContact OG-NH2 3.19Å |
| 292 | I | 93.3 | Very high | 91.2 | Very high | 92 Ų | 92 | 94.2 Ų | 94.2 | 47% | 0.472 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.3 | -46 | 175 | -67.1 | 164.6 | 0 | 0 | 0 | 110.3 | A288 E289 N290 K294 R295 T296 | A288-I292 WeakPolarHBondContact O-CG1 3.47Å; A288-I292 PolarHBondContact O-N 3.44Å; E289-I292 PolarHBondContact O-N 3.45Å; N290-I292 VanDerWaalsContact C-N 3.34Å; N290-I292 PolarHBondContact O-N 3.22Å; I292-K294 PolarHBondContact O-N 2.98Å; I292-R295 PolarHBondContact O-N 3.03Å; I292-R295 VanDerWaalsContact O-N 3.17Å; I292-T296 WeakPolarHBondContact O-CB 3.47Å; I292-T296 PolarHBondContact O-N 2.97Å; I292-T296 PolarHBondContact O-OG1 3.33Å |
| 293 | L | 92.4 | Very high | 90.3 | Very high | 97 Ų | 97 | 95.4 Ų | 95.4 | 51% | 0.508 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.6 | -46.6 | 179 | -71.1 | 170.6 | 0 | 0 | 0 | 111.3 | E289 N290 R295 T296 I297 | E289-L293 VanDerWaalsContact O-CG 3.31Å; E289-L293 WeakPolarHBondContact O-CG 3.37Å; E289-L293 PolarHBondContact O-N 2.89Å; N290-L293 PolarHBondContact O-N 3.01Å; L293-R295 PolarHBondContact O-N 3.32Å; L293-T296 PolarHBondContact O-N 3.09Å; L293-T296 VanDerWaalsContact O-N 3.09Å; L293-I297 HydrophobicContact CB-CD1 4.17Å; L293-I297 WeakPolarHBondContact O-CB 2.99Å; L293-I297 WeakPolarHBondContact O-CG1 3.5Å; L293-I297 PolarHBondContact O-N 2.87Å |
| 294 | K | 89.2 | Confident | 89.5 | Confident | 119 Ų | 119 | 98.1 Ų | 98.1 | 52% | 0.517 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.4 | -35.2 | 175.9 | -78.6 | 175.1 | 170.7 | 162.2 | 0 | 113.1 | N290 I292 L302 | N290-K294 WeakPolarHBondContact O-CB 3.32Å; N290-K294 VanDerWaalsContact O-CG 3.31Å; N290-K294 WeakPolarHBondContact O-CG 3.43Å; N290-K294 PolarHBondContact O-N 3.13Å; N290-K294 WeakPolarHBondContact OD1-CD 3.4Å; N290-K294 WeakPolarHBondContact OD1-CE 3.22Å; N290-K294 PolarHBondContact OD1-NZ 3.3Å; N290-K294 VanDerWaalsContact OD1-NZ 3.09Å; I292-K294 PolarHBondContact O-N 2.98Å; K294-L302 HydrophobicContact CB-CD1 4.4Å; K294-L302 HydrophobicContact CG-CD1 4.1Å |
| 295 | R | 87.7 | Confident | 88.6 | Confident | 185 Ų | 185 | 95.8 Ų | 95.8 | 70% | 0.698 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -76.9 | -29.9 | 176.4 | -75.9 | -179.5 | -95.9 | 154.9 | -11.8 | 113.1 | S291 I292 L293 | S291-R295 WeakPolarHBondContact O-CG 3.43Å; S291-R295 PolarHBondContact O-N 3.02Å; S291-R295 PolarHBondContact O-NE 3.24Å; S291-R295 VanDerWaalsContact O-NE 3.09Å; S291-R295 PolarHBondContact OG-NE 3.48Å; S291-R295 PolarHBondContact OG-NH2 3.19Å; I292-R295 PolarHBondContact O-N 3.03Å; I292-R295 VanDerWaalsContact O-N 3.17Å; L293-R295 PolarHBondContact O-N 3.32Å |
| 296 | T | 88.3 | Confident | 87.6 | Confident | 104 Ų | 104 | 94.5 Ų | 94.5 | 64% | 0.638 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -90.3 | -28.6 | -174.4 | -49.9 | 0 | 0 | 0 | 0 | 112.8 | I292 L293 | I292-T296 WeakPolarHBondContact O-CB 3.47Å; I292-T296 PolarHBondContact O-N 2.97Å; I292-T296 PolarHBondContact O-OG1 3.33Å; L293-T296 PolarHBondContact O-N 3.09Å; L293-T296 VanDerWaalsContact O-N 3.09Å |
| 297 | I | 87.9 | Confident | 86.7 | Confident | 52 Ų | 52 | 97.9 Ų | 97.9 | 27% | 0.267 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -81.1 | 131.5 | -177.3 | -65.5 | 166.9 | 0 | 0 | 0 | 110.1 | L293 N299 T301 L302 | L293-I297 HydrophobicContact CB-CD1 4.17Å; L293-I297 WeakPolarHBondContact O-CB 2.99Å; L293-I297 WeakPolarHBondContact O-CG1 3.5Å; L293-I297 PolarHBondContact O-N 2.87Å; I297-N299 PolarHBondContact O-N 3.31Å; I297-T301 HydrophobicContact CG2-CG2 4.11Å; I297-L302 HydrophobicContact CB-CD1 4.45Å; I297-L302 HydrophobicContact CG2-CB 4.22Å |
| 298 | P | 83.9 | Confident | 85.4 | Confident | 87 Ų | 87 | 100.5 Ų | 100.5 | 57% | 0.565 | 51% | 0.511 | S | S | * | . | | | trans | -56 | 138.5 | 173.5 | -25.2 | 33.8 | 0 | 0 | 0 | 112.4 | D300 T301 L302 | P298-D300 PolarHBondContact O-N 3.38Å; P298-D300 VanDerWaalsContact O-N 3.1Å; P298-T301 PolarHBondContact O-N 3.26Å; P298-L302 PolarHBondContact O-N 2.72Å |
| 299 | N | 81.8 | Confident | 83.5 | Confident | 117 Ų | 117 | 108 Ų | 108 | 63% | 0.626 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -54.2 | -34.7 | -174.9 | -78.6 | -68.4 | 0 | 0 | 0 | 113.8 | I297 L302 K303 | I297-N299 PolarHBondContact O-N 3.31Å; N299-L302 PolarHBondContact O-N 3.44Å; N299-K303 VanDerWaalsContact O-CG 3.26Å; N299-K303 WeakPolarHBondContact O-CG 3.26Å; N299-K303 PolarHBondContact O-N 3.26Å |
| 300 | D | 80.1 | Confident | 82.9 | Confident | 108 Ų | 108 | 108.7 Ų | 108.7 | 58% | 0.578 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -71.1 | -38 | -179.2 | -63.2 | -29.6 | 0 | 0 | 0 | 112.4 | P298 K303 Q304 | P298-D300 PolarHBondContact O-N 3.38Å; P298-D300 VanDerWaalsContact O-N 3.1Å; D300-K303 IonicContact OD1-NZ 3.47Å; D300-K303 PolarHBondContact OD1-NZ 3.45Å; D300-Q304 WeakPolarHBondContact O-CG 3.21Å; D300-Q304 PolarHBondContact O-N 3.23Å; D300-Q304 VanDerWaalsContact O-N 3.16Å |
| 301 | T | 81.8 | Confident | 82.3 | Confident | 69 Ų | 69 | 110.4 Ų | 110.4 | 42% | 0.423 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.4 | -41 | 172.4 | -50.2 | 0 | 0 | 0 | 0 | 110.9 | I297 P298 K303 Q304 L305 | I297-T301 HydrophobicContact CG2-CG2 4.11Å; P298-T301 PolarHBondContact O-N 3.26Å; T301-K303 PolarHBondContact O-N 3.39Å; T301-Q304 PolarHBondContact O-N 3.41Å; T301-L305 WeakPolarHBondContact O-CG 3.44Å; T301-L305 PolarHBondContact O-N 3.25Å; T301-L305 VanDerWaalsContact O-N 3.07Å |
| 302 | L | 80.8 | Confident | 81.7 | Confident | 30 Ų | 30 | 113.9 Ų | 113.9 | 16% | 0.157 | 57% | 0.568 | C | S | . | * | H | α-helix | trans | -63.3 | -41.3 | 178.7 | -165.3 | 124 | 0 | 0 | 0 | 112.1 | K294 I297 P298 N299 L305 H306 | K294-L302 HydrophobicContact CB-CD1 4.4Å; K294-L302 HydrophobicContact CG-CD1 4.1Å; I297-L302 HydrophobicContact CB-CD1 4.45Å; I297-L302 HydrophobicContact CG2-CB 4.22Å; P298-L302 PolarHBondContact O-N 2.72Å; N299-L302 PolarHBondContact O-N 3.44Å; L302-L305 PolarHBondContact O-N 3.09Å; L302-H306 WeakPolarHBondContact CD2-CE1 3.44Å; L302-H306 PolarHBondContact O-N 3.33Å |
| 303 | K | 80.9 | Confident | 81.1 | Confident | 116 Ų | 116 | 115.2 Ų | 115.2 | 50% | 0.504 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -60.6 | -45.4 | 173.1 | -71.5 | 167.2 | -169.2 | 166.7 | 0 | 111.7 | N299 D300 T301 L305 H306 L307 | N299-K303 VanDerWaalsContact O-CG 3.26Å; N299-K303 WeakPolarHBondContact O-CG 3.26Å; N299-K303 PolarHBondContact O-N 3.26Å; D300-K303 IonicContact OD1-NZ 3.47Å; D300-K303 PolarHBondContact OD1-NZ 3.45Å; T301-K303 PolarHBondContact O-N 3.39Å; K303-L305 PolarHBondContact O-N 3.01Å; K303-H306 PolarHBondContact O-N 3.46Å; K303-L307 WeakPolarHBondContact O-CD1 3.4Å; K303-L307 PolarHBondContact O-N 2.95Å |
| 304 | Q | 80.1 | Confident | 80.3 | Confident | 128 Ų | 128 | 116.3 Ų | 116.3 | 60% | 0.598 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62 | -32.2 | 177.9 | -72 | -178.3 | 14 | 0 | 0 | 113 | D300 T301 K308 | D300-Q304 WeakPolarHBondContact O-CG 3.21Å; D300-Q304 PolarHBondContact O-N 3.23Å; D300-Q304 VanDerWaalsContact O-N 3.16Å; T301-Q304 PolarHBondContact O-N 3.41Å; Q304-K308 WeakPolarHBondContact O-CG 3.18Å |
| 305 | L | 79.2 | Confident | 79.8 | Confident | 91 Ų | 91 | 116.1 Ų | 116.1 | 48% | 0.476 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -72.4 | -41.8 | 174.4 | -67.5 | 172.6 | 0 | 0 | 0 | 111.9 | T301 L302 K303 L307 K308 | T301-L305 WeakPolarHBondContact O-CG 3.44Å; T301-L305 PolarHBondContact O-N 3.25Å; T301-L305 VanDerWaalsContact O-N 3.07Å; L302-L305 PolarHBondContact O-N 3.09Å; K303-L305 PolarHBondContact O-N 3.01Å; L305-L307 VanDerWaalsContact C-N 3.26Å; L305-L307 PolarHBondContact O-N 3.39Å; L305-K308 PolarHBondContact O-N 3.4Å; L305-K308 VanDerWaalsContact O-N 3.13Å |
| 306 | H | 78.7 | Confident | 79.2 | Confident | 117 Ų | 117 | 111.2 Ų | 111.2 | 54% | 0.542 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.8 | -27.5 | 176.2 | -71.4 | 176.4 | 0 | 0 | 0 | 113.6 | L302 K303 K308 | L302-H306 WeakPolarHBondContact CD2-CE1 3.44Å; L302-H306 PolarHBondContact O-N 3.33Å; K303-H306 PolarHBondContact O-N 3.46Å; H306-K308 VanDerWaalsContact C-N 3.26Å; H306-K308 PolarHBondContact O-N 3.39Å |
| 307 | L | 78.5 | Confident | 78.5 | Confident | 150 Ų | 150 | 111.8 Ų | 111.8 | 79% | 0.785 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -9.4 | 175 | -92.3 | 130 | 0 | 0 | 0 | 113.8 | K303 L305 | K303-L307 WeakPolarHBondContact O-CD1 3.4Å; K303-L307 PolarHBondContact O-N 2.95Å; L305-L307 VanDerWaalsContact C-N 3.26Å; L305-L307 PolarHBondContact O-N 3.39Å |
| 308 | K | 69.5 | Low | 77.7 | Confident | 179 Ų | 179 | 116.8 Ų | 116.8 | 78% | 0.778 | 59% | 0.594 | S | S | * | * | | | trans | -109.8 | -5 | -175.9 | -75.2 | -176.7 | 176.6 | 179.3 | 0 | 114.5 | Q304 L305 H306 | Q304-K308 WeakPolarHBondContact O-CG 3.18Å; L305-K308 PolarHBondContact O-N 3.4Å; L305-K308 VanDerWaalsContact O-N 3.13Å; H306-K308 VanDerWaalsContact C-N 3.26Å; H306-K308 PolarHBondContact O-N 3.39Å |
| 309 | L | 57.2 | Low | 77.1 | Confident | 209 Ų | 209 | 119.5 Ų | 119.5 | 100% | 1.094 | 60% | 0.597 | S | S | * | * | | | trans | -105.9 | 0 | 176.3 | -98.2 | 141.6 | 0 | 0 | 0 | 109.5 | | |