| 1 | M | 58.2 | Low | 55.7 | Low | 228 Ų | 228 | 129.4 Ų | 129.4 | 100% | 1.123 | 67% | 0.674 | S | S | * | * | | | | 0 | 4.6 | 0 | -86.2 | -157.4 | -98.1 | 0 | 0 | 115 | | |
| 2 | A | 57.9 | Low | 55.2 | Low | 82 Ų | 82 | 128.4 Ų | 128.4 | 68% | 0.678 | 68% | 0.678 | S | S | * | * | | | trans | -93.6 | -12.3 | 175 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 3 | A | 56.6 | Low | 54.6 | Low | 83 Ų | 83 | 128.5 Ų | 128.5 | 69% | 0.686 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -85 | -19.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 4 | L | 56.7 | Low | 54.5 | Low | 129 Ų | 129 | 130.7 Ų | 130.7 | 68% | 0.675 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -87.3 | -17.2 | -179.3 | -68 | 172.2 | 0 | 0 | 0 | 113.5 | | |
| 5 | F | 54 | Low | 54.5 | Low | 148 Ų | 148 | 133.9 Ų | 133.9 | 65% | 0.649 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -78.3 | -26.8 | 177.2 | -168.8 | -103 | 0 | 0 | 0 | 112.5 | L9 | F5-L9 HydrophobicContact CE1-CD1 4.2Å |
| 6 | N | 53.7 | Low | 54.1 | Low | 114 Ų | 114 | 135.6 Ų | 135.6 | 61% | 0.61 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -80 | -20.1 | 178 | -91.3 | -71.5 | 0 | 0 | 0 | 113.6 | | |
| 7 | E | 56.9 | Low | 53.7 | Low | 107 Ų | 107 | 133.9 Ų | 133.9 | 50% | 0.5 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -80.4 | -29.1 | 177.1 | -155.1 | 176.2 | 149.2 | 0 | 0 | 112.1 | R10 K11 | E7-R10 PolarHBondContact O-N 2.97Å; E7-K11 PolarHBondContact O-N 3.39Å; E7-K11 IonicContact OE1-NZ 3.84Å |
| 8 | S | 55.3 | Low | 53.4 | Low | 79 Ų | 79 | 133 Ų | 133 | 55% | 0.552 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -70.8 | -29.4 | 173.6 | -83.7 | 0 | 0 | 0 | 0 | 113.7 | | |
| 9 | L | 52.1 | Low | 52.8 | Low | 108 Ų | 108 | 132.6 Ų | 132.6 | 57% | 0.565 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -79.1 | -19.7 | 176.2 | -67.8 | -179 | 0 | 0 | 0 | 113.4 | F5 | F5-L9 HydrophobicContact CE1-CD1 4.2Å |
| 10 | R | 55.6 | Low | 52.2 | Low | 208 Ų | 208 | 133.3 Ų | 133.3 | 79% | 0.785 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -75 | -33.5 | 172.3 | -123.5 | 177.3 | -177.8 | 155.8 | 0.4 | 112.3 | E7 | E7-R10 PolarHBondContact O-N 2.97Å |
| 11 | K | 55.2 | Low | 51.9 | Low | 137 Ų | 137 | 133.5 Ų | 133.5 | 60% | 0.596 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -81.5 | -13 | -177.6 | -72.5 | -179.6 | -179.8 | 171.8 | 0 | 115.2 | E7 | E7-K11 PolarHBondContact O-N 3.39Å; E7-K11 IonicContact OE1-NZ 3.84Å |
| 12 | V | 50.7 | Low | 51.3 | Low | 118 Ų | 118 | 130.8 Ų | 130.8 | 72% | 0.715 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -87.4 | -20.4 | 173.5 | 178.9 | 0 | 0 | 0 | 0 | 111.9 | E14 | V12-E14 VanDerWaalsContact C-N 3.33Å |
| 13 | N | 47.4 | Very low | 50.6 | Low | 130 Ų | 130 | 135 Ų | 135 | 70% | 0.695 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | 5.3 | 180 | -164.3 | 63.9 | 0 | 0 | 0 | 113.9 | | |
| 14 | E | 52.8 | Low | 49.9 | Very low | 159 Ų | 159 | 137 Ų | 137 | 74% | 0.743 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.2 | 6.5 | -177.3 | -127.9 | 169.9 | -167.2 | 0 | 0 | 113.1 | V12 | V12-E14 VanDerWaalsContact C-N 3.33Š|
| 15 | Q | 54.1 | Low | 49.3 | Very low | 178 Ų | 178 | 139 Ų | 139 | 83% | 0.832 | 70% | 0.702 | S | S | * | * | | | trans | -108.9 | 46.4 | 174.5 | -135.5 | 102.9 | 65.1 | 0 | 0 | 111 | | |
| 16 | Q | 48.4 | Very low | 48.8 | Very low | 161 Ų | 161 | 136.4 Ų | 136.4 | 75% | 0.752 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 129.8 | 158 | -103 | 171.5 | -10.3 | 0 | 0 | 108 | | |
| 17 | P | 47.5 | Very low | 48.3 | Very low | 107 Ų | 107 | 136.5 Ų | 136.5 | 70% | 0.695 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 147.6 | 171.5 | 27 | -33 | 0 | 0 | 0 | 108.7 | T19 | P17-T19 PolarHBondContact O-N 3.09Š|
| 18 | P | 47.4 | Very low | 47.8 | Very low | 118 Ų | 118 | 141.3 Ų | 141.3 | 77% | 0.766 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 118.4 | -177.8 | 24.1 | -32.9 | 0 | 0 | 0 | 109.1 | I20 | P18-I20 PolarHBondContact O-N 3.11Š|
| 19 | T | 43 | Very low | 47.2 | Very low | 125 Ų | 125 | 146.2 Ų | 146.2 | 77% | 0.767 | 73% | 0.731 | S | S | * | * | | | trans | -59 | 105.3 | 160.6 | 33.9 | 0 | 0 | 0 | 0 | 106.6 | P17 I21 | P17-T19 PolarHBondContact O-N 3.09Å; T19-I21 PolarHBondContact O-N 3.36Å |
| 20 | I | 39.9 | Very low | 47.1 | Very low | 147 Ų | 147 | 145.3 Ų | 145.3 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | | | trans | -61.3 | 98 | 162.2 | -61.9 | 168.6 | 0 | 0 | 0 | 104.5 | P18 E22 | P18-I20 PolarHBondContact O-N 3.11Å; I20-E22 VanDerWaalsContact C-N 3.26Å; I20-E22 HydrophobicContact CG2-CG 4.02Å; I20-E22 PolarHBondContact O-N 3.09Å; I20-E22 VanDerWaalsContact O-N 3.08Å |
| 21 | I | 46.8 | Very low | 46.8 | Very low | 137 Ų | 137 | 143.2 Ų | 143.2 | 70% | 0.703 | 74% | 0.743 | S | S | * | * | | | trans | -68.3 | 101.5 | 158 | -59.6 | 171.4 | 0 | 0 | 0 | 102.7 | T19 E23 | T19-I21 PolarHBondContact O-N 3.36Å; I21-E23 HydrophobicContact CG2-CG 4.18Å; I21-E23 PolarHBondContact O-N 3.26Å |
| 22 | E | 44.3 | Very low | 46.4 | Very low | 172 Ų | 172 | 143.8 Ų | 143.8 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | | | trans | -62.5 | 92.3 | 160.9 | -71.7 | -169.2 | 167.7 | 0 | 0 | 105.7 | I20 D24 | I20-E22 VanDerWaalsContact C-N 3.26Å; I20-E22 HydrophobicContact CG2-CG 4.02Å; I20-E22 PolarHBondContact O-N 3.09Å; I20-E22 VanDerWaalsContact O-N 3.08Å; E22-D24 PolarHBondContact O-N 3.38Å |
| 23 | E | 44.6 | Very low | 46.4 | Very low | 169 Ų | 169 | 142.5 Ų | 142.5 | 79% | 0.79 | 74% | 0.736 | S | S | * | * | | | trans | -63.7 | 93.3 | 155.5 | -69.1 | -163.2 | 160.8 | 0 | 0 | 105.6 | I21 E25 | I21-E23 HydrophobicContact CG2-CG 4.18Å; I21-E23 PolarHBondContact O-N 3.26Å; E23-E25 PolarHBondContact O-N 3.15Å |
| 24 | D | 40.8 | Very low | 46.9 | Very low | 125 Ų | 125 | 141.7 Ų | 141.7 | 67% | 0.668 | 74% | 0.738 | S | S | * | * | | | trans | -60.8 | 83.7 | 163.9 | -173.7 | 20.1 | 0 | 0 | 0 | 107 | E22 T26 | E22-D24 PolarHBondContact O-N 3.38Å; D24-T26 PolarHBondContact O-N 3.25Å; D24-T26 PolarHBondContact O-OG1 3.49Å |
| 25 | E | 44.1 | Very low | 46.9 | Very low | 172 Ų | 172 | 141.2 Ų | 141.2 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | | | trans | -63.4 | 70 | 161.5 | -101.8 | -99.5 | 132.2 | 0 | 0 | 107.3 | E23 P27 | E23-E25 PolarHBondContact O-N 3.15Å; E25-P27 VanDerWaalsContact O-CD 3.3Å; E25-P27 WeakPolarHBondContact O-CD 3.25Å |
| 26 | T | 44.5 | Very low | 46.8 | Very low | 94 Ų | 94 | 137.6 Ų | 137.6 | 58% | 0.577 | 73% | 0.726 | S | S | * | * | | | trans | -61.7 | 116.7 | 161.9 | 26 | 0 | 0 | 0 | 0 | 106 | D24 K28 | D24-T26 PolarHBondContact O-N 3.25Å; D24-T26 PolarHBondContact O-OG1 3.49Å; T26-K28 PolarHBondContact O-N 3.29Å |
| 27 | P | 42.8 | Very low | 47 | Very low | 116 Ų | 116 | 138 Ų | 138 | 75% | 0.753 | 73% | 0.728 | S | S | * | * | | | trans | -60.1 | 117.4 | 175.8 | 22.4 | -29.7 | 0 | 0 | 0 | 107.1 | E25 R29 | E25-P27 VanDerWaalsContact O-CD 3.3Å; E25-P27 WeakPolarHBondContact O-CD 3.25Å; P27-R29 PolarHBondContact O-N 3.05Å |
| 28 | K | 46.6 | Very low | 46.8 | Very low | 208 Ų | 208 | 136.1 Ų | 136.1 | 90% | 0.904 | 73% | 0.728 | S | S | * | * | | | trans | -43 | 106.1 | 174.2 | -80.8 | 175.9 | 178.8 | 169.2 | 0 | 108.2 | T26 A30 | T26-K28 PolarHBondContact O-N 3.29Å; K28-A30 PolarHBondContact O-N 3.49Å |
| 29 | R | 43.4 | Very low | 46.4 | Very low | 181 Ų | 181 | 138.3 Ų | 138.3 | 68% | 0.683 | 73% | 0.726 | S | S | * | * | | | trans | -57.2 | 102.4 | 178.3 | -169.1 | 178.8 | -161.8 | 164.8 | 9 | 107.2 | P27 N31 | P27-R29 PolarHBondContact O-N 3.05Å; R29-N31 PolarHBondContact O-N 3.04Å |
| 30 | A | 48.4 | Very low | 46.5 | Very low | 89 Ų | 89 | 137.8 Ų | 137.8 | 74% | 0.736 | 73% | 0.728 | S | S | * | * | | | trans | -50.8 | 132.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | K28 R32 | K28-A30 PolarHBondContact O-N 3.49Å; A30-R32 PolarHBondContact O-N 3.01Å |
| 31 | N | 49.8 | Very low | 46.8 | Very low | 164 Ų | 164 | 137.7 Ų | 137.7 | 88% | 0.877 | 73% | 0.727 | S | S | * | * | | | trans | -37.5 | 112.9 | -176.8 | -74.7 | -51.7 | 0 | 0 | 0 | 112 | R29 | R29-N31 PolarHBondContact O-N 3.04Š|
| 32 | R | 46.5 | Very low | 46.7 | Very low | 149 Ų | 149 | 137.6 Ų | 137.6 | 56% | 0.562 | 73% | 0.727 | S | S | * | * | | | trans | -67.3 | 122.9 | 172 | -179.3 | -176.8 | -99.5 | -176.8 | -9.2 | 107.4 | A30 | A30-R32 PolarHBondContact O-N 3.01Š|
| 33 | P | 50.9 | Low | 46.8 | Very low | 91 Ų | 91 | 136.9 Ų | 136.9 | 59% | 0.591 | 73% | 0.729 | S | S | * | * | | | trans | -62.1 | 147.1 | 176 | 24.2 | -31.4 | 0 | 0 | 0 | 110.3 | D35 | P33-D35 PolarHBondContact O-N 3.29Š|
| 34 | P | 57.9 | Low | 46.4 | Very low | 113 Ų | 113 | 135.4 Ų | 135.4 | 73% | 0.734 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | 1 | -165.3 | 24.1 | -33.2 | 0 | 0 | 0 | 116.3 | | |
| 35 | D | 53.8 | Low | 46.2 | Very low | 150 Ų | 150 | 138.2 Ų | 138.2 | 80% | 0.802 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | 11.3 | -168.8 | -159.9 | 22.1 | 0 | 0 | 0 | 115.4 | P33 | P33-D35 PolarHBondContact O-N 3.29Š|
| 36 | L | 50.7 | Low | 45.8 | Very low | 102 Ų | 102 | 141.1 Ų | 141.1 | 53% | 0.534 | 73% | 0.732 | S | S | . | * | | | trans | -132.3 | 39.8 | -179.3 | -75.4 | 169.6 | 0 | 0 | 0 | 113.1 | G38 F39 | L36-G38 VanDerWaalsContact C-N 3.26Å; L36-G38 PolarHBondContact O-N 3.07Å; L36-F39 HydrophobicContact CD2-CD2 4.29Å |
| 37 | Q | 52.4 | Low | 45.6 | Very low | 168 Ų | 168 | 146.8 Ų | 146.8 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -5.6 | 173.3 | -62.8 | -170.5 | 33.2 | 0 | 0 | 113.7 | | |
| 38 | G | 43.7 | Very low | 45.1 | Very low | 68 Ų | 68 | 146.5 Ų | 146.5 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | -9.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | L36 | L36-G38 VanDerWaalsContact C-N 3.26Å; L36-G38 PolarHBondContact O-N 3.07Å |
| 39 | F | 39.1 | Very low | 44.4 | Very low | 164 Ų | 164 | 142.2 Ų | 142.2 | 72% | 0.719 | 74% | 0.74 | S | S | * | * | | | trans | -117.7 | 84.8 | -178.5 | -68 | -79 | 0 | 0 | 0 | 110.3 | L36 I41 | L36-F39 HydrophobicContact CD2-CD2 4.29Å; F39-I41 PolarHBondContact O-N 3.35Å; F39-I41 VanDerWaalsContact O-N 3.13Å |
| 40 | S | 44.9 | Very low | 43.8 | Very low | 115 Ų | 115 | 139.3 Ų | 139.3 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | | | trans | -70.7 | 98.8 | 159.6 | -71.7 | 0 | 0 | 0 | 0 | 107.6 | L42 | S40-L42 PolarHBondContact O-N 3.49Å; S40-L42 VanDerWaalsContact O-N 3.11Å |
| 41 | I | 47.8 | Very low | 43.2 | Very low | 145 Ų | 145 | 140.1 Ų | 140.1 | 74% | 0.744 | 75% | 0.746 | S | S | * | * | | | trans | -59.6 | 113.9 | 156.6 | -76.6 | 157.2 | 0 | 0 | 0 | 105 | F39 D43 | F39-I41 PolarHBondContact O-N 3.35Å; F39-I41 VanDerWaalsContact O-N 3.13Å; I41-D43 PolarHBondContact O-N 2.94Å |
| 42 | L | 44.5 | Very low | 42.5 | Very low | 134 Ų | 134 | 138.9 Ų | 138.9 | 70% | 0.702 | 74% | 0.74 | S | S | * | * | | | trans | -57.5 | 111.2 | 169.7 | -144.9 | 75.2 | 0 | 0 | 0 | 105.5 | S40 E44 | S40-L42 PolarHBondContact O-N 3.49Å; S40-L42 VanDerWaalsContact O-N 3.11Å; L42-E44 HydrophobicContact CB-CG 4.48Å; L42-E44 HydrophobicContact CD2-CG 4.12Å; L42-E44 PolarHBondContact O-N 3.33Å |
| 43 | D | 44.8 | Very low | 42.4 | Very low | 157 Ų | 157 | 139.8 Ų | 139.8 | 84% | 0.84 | 76% | 0.756 | S | S | * | * | | | trans | -65.2 | 82.7 | 165.9 | -86.1 | -58.9 | 0 | 0 | 0 | 106.8 | I41 K45 | I41-D43 PolarHBondContact O-N 2.94Å; D43-K45 PolarHBondContact O-N 3.28Å |
| 44 | E | 36.8 | Very low | 42 | Very low | 139 Ų | 139 | 140.5 Ų | 140.5 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | | | trans | -68.5 | 89.3 | 167.4 | -77.9 | -172.3 | 160.9 | 0 | 0 | 107.3 | L42 W46 | L42-E44 HydrophobicContact CB-CG 4.48Å; L42-E44 HydrophobicContact CD2-CG 4.12Å; L42-E44 PolarHBondContact O-N 3.33Å; E44-W46 VanDerWaalsContact C-N 3.28Å; E44-W46 PolarHBondContact O-N 3.05Å |
| 45 | K | 37.3 | Very low | 41 | Very low | 183 Ų | 183 | 143 Ų | 143 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | | | trans | -57.2 | 96.7 | 161.7 | -170.5 | 159.1 | -177.2 | 176.2 | 0 | 107 | D43 R47 | D43-K45 PolarHBondContact O-N 3.28Å; K45-R47 PolarHBondContact O-N 3.15Å |
| 46 | W | 35.3 | Very low | 40.7 | Very low | 234 Ų | 234 | 143 Ų | 143 | 89% | 0.886 | 77% | 0.77 | S | S | * | * | | | trans | -56.6 | 88.8 | 164.6 | -77.5 | 89.9 | 0 | 0 | 0 | 107.9 | E44 S48 | E44-W46 VanDerWaalsContact C-N 3.28Å; E44-W46 PolarHBondContact O-N 3.05Å; W46-S48 PolarHBondContact O-N 2.89Å; W46-S48 VanDerWaalsContact O-N 3.08Å |
| 47 | R | 39.9 | Very low | 40.3 | Very low | 212 Ų | 212 | 143.1 Ų | 143.1 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | | | trans | -70.2 | 100.9 | 164.5 | -79.2 | -175.8 | 73.9 | -166.7 | 2.3 | 106.1 | K45 S49 | K45-R47 PolarHBondContact O-N 3.15Å; R47-S49 PolarHBondContact O-N 3.16Å |
| 48 | S | 32.4 | Very low | 39.9 | Very low | 110 Ų | 110 | 143.2 Ų | 143.2 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | | | trans | -52.8 | 106.4 | 155.4 | -66.8 | 0 | 0 | 0 | 0 | 108.2 | W46 C50 | W46-S48 PolarHBondContact O-N 2.89Å; W46-S48 VanDerWaalsContact O-N 3.08Å; S48-C50 VanDerWaalsContact C-N 3.31Å; S48-C50 PolarHBondContact O-N 3.4Å |
| 49 | S | 32 | Very low | 40 | Very low | 118 Ų | 118 | 145.6 Ų | 145.6 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | | | trans | -76.4 | 87.6 | 168.5 | -78.6 | 0 | 0 | 0 | 0 | 108.9 | R47 | R47-S49 PolarHBondContact O-N 3.16Š|
| 50 | C | 30.9 | Very low | 39.9 | Very low | 121 Ų | 121 | 144.7 Ų | 144.7 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -121.3 | 111.3 | 152.8 | -67.6 | 0 | 0 | 0 | 0 | 106.3 | S48 | S48-C50 VanDerWaalsContact C-N 3.31Å; S48-C50 PolarHBondContact O-N 3.4Å |
| 51 | S | 35.3 | Very low | 39.3 | Very low | 105 Ų | 105 | 142.6 Ų | 142.6 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | | | trans | 151.2 | 137.5 | 133.8 | -143.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 52 | D | 36.5 | Very low | 38.5 | Very low | 139 Ų | 139 | 141.5 Ų | 141.5 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | | | trans | 72.5 | 93.1 | 149.9 | -70 | -47.3 | 0 | 0 | 0 | 121.1 | S54 | D52-S54 PolarHBondContact O-N 3.06Š|
| 53 | D | 43.4 | Very low | 38.2 | Very low | 168 Ų | 168 | 145.6 Ų | 145.6 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | | | trans | -72.1 | 102 | 139.7 | -100.4 | -58 | 0 | 0 | 0 | 108.9 | | |
| 54 | S | 42.5 | Very low | 37.6 | Very low | 106 Ų | 106 | 146.1 Ų | 146.1 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | | | trans | -176.9 | 99.6 | 153.8 | -75.6 | 0 | 0 | 0 | 0 | 109.2 | D52 | D52-S54 PolarHBondContact O-N 3.06Š|
| 55 | D | 37.3 | Very low | 37.6 | Very low | 164 Ų | 164 | 144.2 Ų | 144.2 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | | | | 178.2 | 129.7 | 113.2 | -123.5 | -32.5 | 0 | 0 | 0 | 111.4 | | |
| 56 | D | 48.2 | Very low | 37.4 | Very low | 150 Ų | 150 | 142.1 Ų | 142.1 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | | | trans | -92.1 | 102.4 | 178.6 | -165.1 | -23.2 | 0 | 0 | 0 | 107.7 | | |
| 57 | S | 42.2 | Very low | 37.3 | Very low | 106 Ų | 106 | 135.3 Ų | 135.3 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | | | trans | -168.1 | 103.2 | 163.8 | -83.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 58 | L | 42.3 | Very low | 37.1 | Very low | 169 Ų | 169 | 134.5 Ų | 134.5 | 89% | 0.885 | 81% | 0.809 | S | S | * | * | | | trans | -72 | 146.5 | 159.6 | -63.9 | 174.2 | 0 | 0 | 0 | 109.6 | | |
| 59 | P | 45.9 | Very low | 37.4 | Very low | 119 Ų | 119 | 139 Ų | 139 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | | | | -134.8 | 128.4 | 125.4 | 29.4 | -14.4 | 0 | 0 | 0 | 113.8 | | |
| 60 | V | 38.2 | Very low | 37.7 | Very low | 145 Ų | 145 | 139.2 Ų | 139.2 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | | | trans | 10.4 | 107.7 | 137.3 | -176.6 | 0 | 0 | 0 | 0 | 116.8 | | |
| 61 | G | 32.6 | Very low | 37.8 | Very low | 70 Ų | 70 | 140.5 Ų | 140.5 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | | | | 77.9 | 102.5 | 124 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 62 | S | 31.3 | Very low | 38 | Very low | 122 Ų | 122 | 146.3 Ų | 146.3 | 85% | 0.853 | 82% | 0.817 | S | S | * | * | | | trans | -154.7 | 112.9 | 134.4 | 63.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 63 | Y | 36.9 | Very low | 37.8 | Very low | 221 Ų | 221 | 147.1 Ų | 147.1 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | | | trans | -65.2 | 126.8 | 169.8 | -77.8 | -102 | 0 | 0 | 0 | 110.5 | | |
| 64 | I | 33.5 | Very low | 37.2 | Very low | 167 Ų | 167 | 144.3 Ų | 144.3 | 86% | 0.856 | 81% | 0.807 | S | S | * | * | | | trans | -138.6 | 120.5 | 134.6 | -61.4 | -171.4 | 0 | 0 | 0 | 107.7 | | |
| 65 | S | 34.9 | Very low | 36.8 | Very low | 100 Ų | 100 | 147.1 Ų | 147.1 | 70% | 0.699 | 81% | 0.806 | S | S | * | * | | | trans | -70.9 | 136.6 | 174.4 | -74.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 66 | T | 33.3 | Very low | 36.6 | Very low | 138 Ų | 138 | 144.3 Ų | 144.3 | 85% | 0.847 | 80% | 0.799 | S | S | * | * | | | trans | -157.3 | 130.1 | 134.2 | 46.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 67 | A | 34.5 | Very low | 36.1 | Very low | 91 Ų | 91 | 142.9 Ų | 142.9 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | | | trans | 74.4 | 106.9 | 152.8 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 68 | E | 35.7 | Very low | 35.8 | Very low | 195 Ų | 195 | 144.1 Ų | 144.1 | 91% | 0.911 | 79% | 0.794 | S | S | * | * | | | trans | 55.5 | 94.6 | 132.7 | -63 | -178 | 167.6 | 0 | 0 | 118.9 | | |
| 69 | K | 37.6 | Very low | 35.3 | Very low | 204 Ų | 204 | 145.3 Ų | 145.3 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | | | trans | -88.8 | 140.4 | 162.1 | -69.2 | 174.5 | 179.1 | 173.2 | 0 | 110.1 | | |
| 70 | P | 38.7 | Very low | 34.9 | Very low | 124 Ų | 124 | 150 Ų | 150 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | | | trans | -70.7 | 135.4 | 167.3 | 29.5 | -30.8 | 0 | 0 | 0 | 110 | R72 | P70-R72 PolarHBondContact O-N 3.03Å; P70-R72 VanDerWaalsContact O-N 3.16Å |
| 71 | L | 33.8 | Very low | 34.8 | Very low | 148 Ų | 148 | 149 Ų | 149 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | | | trans | -55.8 | 109.2 | -179.1 | -146.7 | 70.8 | 0 | 0 | 0 | 110.7 | F73 | L71-F73 HydrophobicContact CD2-CD2 4.18Å; L71-F73 HydrophobicContact CD2-CE2 3.91Å; L71-F73 PolarHBondContact O-N 3.28Å; L71-F73 VanDerWaalsContact O-N 3.1Å |
| 72 | R | 38.3 | Very low | 34.8 | Very low | 226 Ų | 226 | 154.1 Ų | 154.1 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | | | trans | -68.7 | 103.1 | 162 | -80.3 | -159.1 | -176.1 | 176.1 | 2.6 | 108.2 | P70 C74 | P70-R72 PolarHBondContact O-N 3.03Å; P70-R72 VanDerWaalsContact O-N 3.16Å; R72-C74 VanDerWaalsContact C-N 3.28Å; R72-C74 PolarHBondContact O-N 3.11Å |
| 73 | F | 31.9 | Very low | 34.9 | Very low | 157 Ų | 157 | 157.5 Ų | 157.5 | 69% | 0.689 | 80% | 0.795 | S | S | * | * | | | trans | -72.7 | 86.5 | 161.4 | -107.3 | -81.5 | 0 | 0 | 0 | 108.7 | L71 K75 | L71-F73 HydrophobicContact CD2-CD2 4.18Å; L71-F73 HydrophobicContact CD2-CE2 3.91Å; L71-F73 PolarHBondContact O-N 3.28Å; L71-F73 VanDerWaalsContact O-N 3.1Å; F73-K75 HydrophobicContact CD1-CD 4.27Å; F73-K75 HydrophobicContact CD1-CG 4.11Å; F73-K75 PolarHBondContact O-N 3.1Å |
| 74 | C | 31.9 | Very low | 34.7 | Very low | 108 Ų | 108 | 155.2 Ų | 155.2 | 73% | 0.73 | 79% | 0.785 | S | S | * | * | | | trans | -80.6 | 91.4 | 159.4 | -66.1 | 0 | 0 | 0 | 0 | 107.3 | R72 | R72-C74 VanDerWaalsContact C-N 3.28Å; R72-C74 PolarHBondContact O-N 3.11Å |
| 75 | K | 34.1 | Very low | 34.5 | Very low | 165 Ų | 165 | 155.1 Ų | 155.1 | 72% | 0.717 | 78% | 0.781 | S | S | * | * | | | trans | -90.8 | 105.7 | 158.5 | -82.1 | 178.1 | 179.5 | 177.1 | 0 | 107.3 | F73 V77 | F73-K75 HydrophobicContact CD1-CD 4.27Å; F73-K75 HydrophobicContact CD1-CG 4.11Å; F73-K75 PolarHBondContact O-N 3.1Å; K75-V77 PolarHBondContact O-N 2.85Å |
| 76 | S | 34 | Very low | 34.7 | Very low | 106 Ų | 106 | 154 Ų | 154 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | | | trans | -48.6 | 121.4 | 157.5 | -59.3 | 0 | 0 | 0 | 0 | 108.5 | D78 | S76-D78 PolarHBondContact O-N 3.13Š|
| 77 | V | 37.4 | Very low | 35.2 | Very low | 119 Ų | 119 | 153.3 Ų | 153.3 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | | | trans | -84.5 | 97.5 | 164.7 | -179.2 | 0 | 0 | 0 | 0 | 105.6 | K75 F79 | K75-V77 PolarHBondContact O-N 2.85Å; V77-F79 PolarHBondContact O-N 3.34Å; V77-F79 VanDerWaalsContact O-N 3.1Å |
| 78 | D | 35.1 | Very low | 35.3 | Very low | 132 Ų | 132 | 155.8 Ų | 155.8 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | | | trans | -62.3 | 107.1 | 167.1 | -75.6 | -34.5 | 0 | 0 | 0 | 108.6 | S76 R80 | S76-D78 PolarHBondContact O-N 3.13Å; D78-R80 VanDerWaalsContact C-N 3.32Å; D78-R80 PolarHBondContact O-N 2.82Å |
| 79 | F | 31.4 | Very low | 35.4 | Very low | 195 Ų | 195 | 154.6 Ų | 154.6 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | | | trans | -70.9 | 91.6 | 163.3 | -94.1 | -90.8 | 0 | 0 | 0 | 108.4 | V77 P81 | V77-F79 PolarHBondContact O-N 3.34Å; V77-F79 VanDerWaalsContact O-N 3.1Å; F79-P81 WeakPolarHBondContact O-CD 3.2Å |
| 80 | R | 38.4 | Very low | 35.4 | Very low | 216 Ų | 216 | 151.1 Ų | 151.1 | 82% | 0.815 | 77% | 0.771 | S | S | * | * | | | trans | -73.7 | 123 | 162.1 | -75.2 | -171.8 | -175 | -124.3 | 1.1 | 108.9 | D78 L82 | D78-R80 VanDerWaalsContact C-N 3.32Å; D78-R80 PolarHBondContact O-N 2.82Å; R80-L82 PolarHBondContact O-N 3.43Å |
| 81 | P | 36.6 | Very low | 35.2 | Very low | 124 Ų | 124 | 148.4 Ų | 148.4 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | | | trans | -72.3 | 110.8 | 166.9 | -9.4 | 25.9 | 0 | 0 | 0 | 108.4 | F79 R83 | F79-P81 WeakPolarHBondContact O-CD 3.2Å; P81-R83 PolarHBondContact O-N 3.35Å |
| 82 | L | 31.4 | Very low | 35.1 | Very low | 178 Ų | 178 | 148.7 Ų | 148.7 | 93% | 0.932 | 77% | 0.768 | S | S | * | * | | | trans | -71.5 | 99.1 | 167.5 | -97.8 | 159.5 | 0 | 0 | 0 | 108.5 | R80 | R80-L82 PolarHBondContact O-N 3.43Š|
| 83 | R | 33.7 | Very low | 34.8 | Very low | 194 Ų | 194 | 143.1 Ų | 143.1 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | | | trans | -87.4 | 126.6 | 169 | -162.9 | -165.3 | -178.5 | 98.9 | -1.2 | 108.5 | P81 | P81-R83 PolarHBondContact O-N 3.35Š|
| 84 | R | 33.5 | Very low | 34.7 | Very low | 172 Ų | 172 | 141.3 Ų | 141.3 | 65% | 0.649 | 77% | 0.769 | S | S | * | * | | | trans | 75.6 | 120.8 | 153.4 | -145.4 | 177.8 | -77.3 | 153 | -11.7 | 116.9 | | |
| 85 | E | 29.1 | Very low | 34.6 | Very low | 165 Ų | 165 | 140.5 Ų | 140.5 | 77% | 0.771 | 77% | 0.765 | S | S | * | * | | | | -155.5 | 131.2 | 105.9 | -81.8 | -44.3 | 122.6 | 0 | 0 | 109.2 | | |
| 86 | A | 38.2 | Very low | 34.5 | Very low | 78 Ų | 78 | 138.4 Ų | 138.4 | 65% | 0.645 | 77% | 0.766 | S | S | * | * | | | trans | -87.3 | 158 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 87 | P | 43.1 | Very low | 34.8 | Very low | 123 Ų | 123 | 141.1 Ų | 141.1 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | | | trans | -123.8 | 122.7 | 134.9 | 21.9 | -5.8 | 0 | 0 | 0 | 110.5 | L89 | P87-L89 PolarHBondContact O-N 3.3Š|
| 88 | N | 37.3 | Very low | 34.9 | Very low | 142 Ų | 142 | 140.7 Ų | 140.7 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | | | trans | -51 | 124.9 | 157.2 | -87.7 | -71.7 | 0 | 0 | 0 | 109.6 | | |
| 89 | L | 38.8 | Very low | 34.8 | Very low | 171 Ų | 171 | 140 Ų | 140 | 90% | 0.895 | 78% | 0.776 | S | S | * | * | | | trans | -136.7 | 103.2 | 142.4 | -74.4 | 179.6 | 0 | 0 | 0 | 108.5 | P87 | P87-L89 PolarHBondContact O-N 3.3Š|
| 90 | T | 37.1 | Very low | 35 | Very low | 130 Ų | 130 | 136.7 Ų | 136.7 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | | | trans | -52.4 | 141.6 | 159.9 | 40 | 0 | 0 | 0 | 0 | 112.1 | | |
| 91 | G | 33.8 | Very low | 35.2 | Very low | 68 Ų | 68 | 132 Ų | 132 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | | | trans | 166.6 | 67.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 92 | D | 31.1 | Very low | 35.2 | Very low | 154 Ų | 154 | 131.6 Ų | 131.6 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | | | trans | 32 | 128.4 | 140.7 | -58.8 | -35.2 | 0 | 0 | 0 | 123.8 | | |
| 93 | S | 32.6 | Very low | 35.4 | Very low | 108 Ų | 108 | 131.3 Ų | 131.3 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | | | trans | 77.2 | 115.5 | 133 | -67.2 | 0 | 0 | 0 | 0 | 119.8 | | |
| 94 | C | 29.6 | Very low | 35.5 | Very low | 119 Ų | 119 | 131.8 Ų | 131.8 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | | | | 75.7 | 125.8 | 98 | -138.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 95 | S | 31 | Very low | 35.6 | Very low | 92 Ų | 92 | 133.1 Ų | 133.1 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | | | cis | 175.3 | 154.9 | 38.3 | -140.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 96 | T | 31.9 | Very low | 36.2 | Very low | 121 Ų | 121 | 132.8 Ų | 132.8 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | | | trans | 76.4 | 110 | 137.3 | -49.1 | 0 | 0 | 0 | 0 | 120.6 | | |
| 97 | L | 39.3 | Very low | 36.9 | Very low | 163 Ų | 163 | 134.7 Ų | 134.7 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | | | trans | -59.6 | 151.6 | 150.3 | -67.5 | 168.9 | 0 | 0 | 0 | 111.1 | | |
| 98 | P | 39.9 | Very low | 37.4 | Very low | 110 Ų | 110 | 134.9 Ų | 134.9 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | | | | -146.6 | 142.3 | 114.2 | 30.3 | -11.4 | 0 | 0 | 0 | 116.3 | | |
| 99 | S | 32.4 | Very low | 37.7 | Very low | 116 Ų | 116 | 135.9 Ų | 135.9 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | | | trans | 51 | 129.3 | 132 | -49.9 | 0 | 0 | 0 | 0 | 123.3 | | |
| 100 | T | 36.7 | Very low | 38.1 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | | | trans | -58 | 166.1 | 165.4 | 55.6 | 0 | 0 | 0 | 0 | 115 | | |
| 101 | P | 42.8 | Very low | 38.3 | Very low | 116 Ų | 116 | 133.9 Ų | 133.9 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | | | | -149.6 | 138.2 | 100.1 | 33.3 | -13.4 | 0 | 0 | 0 | 118.5 | | |
| 102 | V | 34.9 | Very low | 38.3 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 71% | 0.709 | 80% | 0.799 | S | S | * | * | | | | 56.5 | 136.7 | 126.8 | -160.6 | 0 | 0 | 0 | 0 | 123.9 | | |
| 103 | H | 37.1 | Very low | 38.5 | Very low | 172 Ų | 172 | 137.8 Ų | 137.8 | 80% | 0.796 | 80% | 0.799 | S | S | * | * | | | trans | 91.2 | 110.7 | 150.5 | -90 | -52.6 | 0 | 0 | 0 | 121 | | |
| 104 | K | 35.9 | Very low | 38.9 | Very low | 204 Ų | 204 | 138.4 Ų | 138.4 | 89% | 0.887 | 80% | 0.803 | S | S | * | * | | | | -174.7 | 105.8 | 122.3 | -104.7 | 167 | -179.8 | 173 | 0 | 114.6 | | |
| 105 | K | 35.3 | Very low | 39 | Very low | 200 Ų | 200 | 136.3 Ų | 136.3 | 87% | 0.87 | 80% | 0.801 | S | S | * | * | | | | 40.3 | 108.5 | 127.8 | -133 | 169.5 | -176.6 | 175.6 | 0 | 119.4 | | |
| 106 | N | 41.2 | Very low | 39.5 | Very low | 157 Ų | 157 | 135.8 Ų | 135.8 | 84% | 0.84 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 142.3 | 164.8 | -67.1 | -35.6 | 0 | 0 | 0 | 112.1 | | |
| 107 | P | 53.9 | Low | 39.7 | Very low | 119 Ų | 119 | 135.1 Ų | 135.1 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 160.1 | 166.1 | 33.1 | -29.7 | 0 | 0 | 0 | 113.1 | | |
| 108 | P | 52.1 | Low | 40 | Very low | 126 Ų | 126 | 137.6 Ų | 137.6 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 158.9 | -160.2 | 35.9 | -34.5 | 0 | 0 | 0 | 115.7 | | |
| 109 | L | 43.5 | Very low | 39.7 | Very low | 163 Ų | 163 | 141.3 Ų | 141.3 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 144.5 | 170.2 | -111.9 | 68.9 | 0 | 0 | 0 | 112.7 | | |
| 110 | P | 48.6 | Very low | 40.1 | Very low | 121 Ų | 121 | 144 Ų | 144 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 142.9 | 163.7 | 31.5 | -29.4 | 0 | 0 | 0 | 112.4 | | |
| 111 | T | 40.8 | Very low | 40 | Very low | 138 Ų | 138 | 144.5 Ų | 144.5 | 85% | 0.847 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 145.8 | -179.3 | 41.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 112 | M | 33.2 | Very low | 39.8 | Very low | 187 Ų | 187 | 144.7 Ų | 144.7 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 133.3 | 174.7 | -63.5 | -95.4 | 70.5 | 0 | 0 | 110.6 | | |
| 113 | S | 35.7 | Very low | 40.1 | Very low | 118 Ų | 118 | 144.6 Ų | 144.6 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | | | trans | -112.7 | 128.4 | 166.6 | -173 | 0 | 0 | 0 | 0 | 109.9 | | |
| 114 | S | 40.7 | Very low | 39.9 | Very low | 121 Ų | 121 | 142.5 Ų | 142.5 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | | | trans | -73.7 | 131.8 | -178.8 | 159.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 115 | G | 33.1 | Very low | 39.9 | Very low | 74 Ų | 74 | 141.3 Ų | 141.3 | 76% | 0.763 | 81% | 0.811 | S | S | * | * | | | trans | -163.8 | 99.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 116 | G | 39.7 | Very low | 40 | Very low | 81 Ų | 81 | 137.6 Ų | 137.6 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | | | trans | -75.2 | 150.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 117 | S | 36 | Very low | 39.8 | Very low | 107 Ų | 107 | 141.1 Ų | 141.1 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | | | trans | -150.8 | 128.4 | 152.3 | -166.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 118 | R | 47 | Very low | 38.8 | Very low | 216 Ų | 216 | 142.5 Ų | 142.5 | 82% | 0.815 | 81% | 0.808 | S | S | * | * | | | trans | -95.5 | 107.5 | -165 | -179.1 | -173.4 | -160.8 | 169.9 | 5.4 | 108.7 | | |
| 119 | F | 33.4 | Very low | 38.3 | Very low | 188 Ų | 188 | 141.6 Ų | 141.6 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | | | trans | -107.9 | 123.6 | 166.7 | -83 | -85.7 | 0 | 0 | 0 | 110.3 | | |
| 120 | K | 40.9 | Very low | 37.7 | Very low | 172 Ų | 172 | 144.4 Ų | 144.4 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | | | trans | -81.7 | 127.4 | 174.2 | -71.2 | -151.7 | 175.5 | -171.9 | 0 | 109.4 | | |
| 121 | V | 34.7 | Very low | 37 | Very low | 138 Ų | 138 | 148 Ų | 148 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | | | trans | -79.8 | 126 | 169 | 175.8 | 0 | 0 | 0 | 0 | 108.4 | | |
| 122 | V | 37.7 | Very low | 36.9 | Very low | 120 Ų | 120 | 147.1 Ų | 147.1 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | | | trans | -111.6 | 127.6 | 162.3 | 178.9 | 0 | 0 | 0 | 0 | 106.3 | V124 | V122-V124 PolarHBondContact O-N 2.85Š|
| 123 | P | 41 | Very low | 37.6 | Very low | 115 Ų | 115 | 142.9 Ų | 142.9 | 75% | 0.747 | 79% | 0.792 | S | S | * | * | | | trans | -76 | 122.4 | 174.8 | -6.3 | 23.2 | 0 | 0 | 0 | 109.6 | | |
| 124 | V | 33.7 | Very low | 37.5 | Very low | 128 Ų | 128 | 145.3 Ų | 145.3 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | | | trans | -92.4 | 108 | 162.1 | 154.7 | 0 | 0 | 0 | 0 | 106.9 | V122 T126 | V122-V124 PolarHBondContact O-N 2.85Å; V124-T126 PolarHBondContact O-N 3.32Å |
| 125 | E | 36.1 | Very low | 37.2 | Very low | 179 Ų | 179 | 142.8 Ų | 142.8 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | | | trans | -65.3 | 121.3 | 165.1 | -79.4 | -176.1 | 125.8 | 0 | 0 | 108.7 | | |
| 126 | T | 36.4 | Very low | 37.5 | Very low | 121 Ų | 121 | 148.5 Ų | 148.5 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | | | trans | -91.7 | 105.6 | 170.8 | -47.1 | 0 | 0 | 0 | 0 | 106.8 | V124 | V124-T126 PolarHBondContact O-N 3.32Š|
| 127 | R | 38.1 | Very low | 37.4 | Very low | 231 Ų | 231 | 154.1 Ų | 154.1 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 119.7 | 168.4 | -99.1 | -175.3 | 158.6 | 170.6 | -4 | 108.6 | | |
| 128 | D | 32.8 | Very low | 37.3 | Very low | 148 Ų | 148 | 153.1 Ų | 153.1 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -63 | 137 | 171.2 | -69 | -43.9 | 0 | 0 | 0 | 111 | | |
| 129 | P | 40.9 | Very low | 36.6 | Very low | 108 Ų | 108 | 151 Ų | 151 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 143.2 | 170.9 | 32.6 | -27.5 | 0 | 0 | 0 | 109.8 | | |
| 130 | Y | 32.5 | Very low | 36.6 | Very low | 222 Ų | 222 | 146.3 Ų | 146.3 | 87% | 0.871 | 79% | 0.794 | S | S | * | * | | | trans | 100.6 | 79.2 | 175.9 | -71.7 | -92 | 0 | 0 | 0 | 117.1 | | |
| 131 | F | 32.6 | Very low | 36.6 | Very low | 195 Ų | 195 | 147.4 Ų | 147.4 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | | | | -176.8 | 128.5 | 114.5 | -123.3 | -103 | 0 | 0 | 0 | 109.1 | | |
| 132 | S | 39.9 | Very low | 36.9 | Very low | 121 Ų | 121 | 147 Ų | 147 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | | | trans | -154.7 | 120.3 | 160.9 | -101 | 0 | 0 | 0 | 0 | 110 | | |
| 133 | P | 46.2 | Very low | 36.7 | Very low | 97 Ų | 97 | 147.3 Ų | 147.3 | 63% | 0.63 | 80% | 0.802 | S | S | * | * | | | trans | -97 | 144.7 | 165.1 | 34.1 | -25 | 0 | 0 | 0 | 111.2 | | |
| 134 | N | 33.9 | Very low | 36.4 | Very low | 170 Ų | 170 | 146.1 Ų | 146.1 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | | | trans | 73.7 | 136.4 | 167.7 | -53.1 | -6.9 | 0 | 0 | 0 | 115.6 | | |
| 135 | G | 34.9 | Very low | 36.3 | Very low | 67 Ų | 67 | 144.9 Ų | 144.9 | 69% | 0.691 | 81% | 0.805 | S | S | * | * | | | cis | 152.3 | 123.5 | 5.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 136 | K | 38.8 | Very low | 36.4 | Very low | 194 Ų | 194 | 143.9 Ų | 143.9 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | | | trans | 75.2 | 119.7 | 161.2 | -44.2 | -164.2 | -178.1 | -173.2 | 0 | 118.3 | | |
| 137 | H | 38.9 | Very low | 36.4 | Very low | 200 Ų | 200 | 148.1 Ų | 148.1 | 93% | 0.926 | 81% | 0.811 | S | S | * | * | | | | -177.1 | 143 | 118.6 | -86.8 | -67.7 | 0 | 0 | 0 | 108.9 | | |
| 138 | A | 32.2 | Very low | 36.4 | Very low | 86 Ų | 86 | 146.3 Ų | 146.3 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | | | trans | -104.4 | 171.3 | -167.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 139 | I | 32.8 | Very low | 36.6 | Very low | 172 Ų | 172 | 148.1 Ų | 148.1 | 88% | 0.882 | 81% | 0.813 | S | S | * | * | | | trans | 87.9 | 132.9 | 162.3 | -51.1 | 158.6 | 0 | 0 | 0 | 113.4 | | |
| 140 | A | 34.2 | Very low | 36.2 | Very low | 89 Ų | 89 | 151.1 Ų | 151.1 | 74% | 0.736 | 82% | 0.818 | S | S | * | * | | | cis | -152.4 | 162.6 | 12.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 141 | K | 41.2 | Very low | 36.3 | Very low | 194 Ų | 194 | 146.6 Ų | 146.6 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | | | trans | -60.5 | 157.9 | 164.1 | -120.4 | 169.2 | -178.1 | 173.9 | 0 | 111.7 | | |
| 142 | P | 39.4 | Very low | 36.4 | Very low | 129 Ų | 129 | 143 Ų | 143 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | | | | -137.7 | 164.7 | 107.3 | 31.3 | -15.2 | 0 | 0 | 0 | 114.5 | | |
| 143 | T | 33.5 | Very low | 35.9 | Very low | 128 Ų | 128 | 143 Ų | 143 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | | | trans | -97.5 | 161.4 | -173.6 | -166.6 | 0 | 0 | 0 | 0 | 112 | | |
| 144 | A | 35.7 | Very low | 35.4 | Very low | 90 Ų | 90 | 148.6 Ų | 148.6 | 74% | 0.744 | 80% | 0.8 | S | S | * | * | | | trans | 73.4 | 122.8 | 155.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 145 | A | 31.5 | Very low | 35.5 | Very low | 102 Ų | 102 | 146.9 Ų | 146.9 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | | | | -177.4 | 139 | 95.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 146 | I | 37.5 | Very low | 35.6 | Very low | 157 Ų | 157 | 148.1 Ų | 148.1 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | | | trans | -84.5 | 138.1 | 170.8 | -66.5 | 162.8 | 0 | 0 | 0 | 108.5 | | |
| 147 | K | 36.5 | Very low | 35.5 | Very low | 211 Ų | 211 | 151.4 Ų | 151.4 | 92% | 0.917 | 81% | 0.807 | S | S | * | * | | | trans | -163 | 136.6 | 141.8 | -110.3 | 171.4 | -175.5 | -176.1 | 0 | 112 | | |
| 148 | K | 38.8 | Very low | 35.3 | Very low | 192 Ų | 192 | 147.7 Ų | 147.7 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | | | trans | -86.7 | 152.7 | 179.7 | -64.7 | 173 | 170.8 | -179.8 | 0 | 110.5 | | |
| 149 | E | 37.3 | Very low | 35.6 | Very low | 186 Ų | 186 | 151.1 Ų | 151.1 | 87% | 0.869 | 81% | 0.809 | S | S | * | * | | | trans | -173.7 | 109.3 | 139.7 | -101.4 | 172 | -158.8 | 0 | 0 | 106.7 | | |
| 150 | E | 32.2 | Very low | 35.9 | Very low | 172 Ų | 172 | 147.5 Ų | 147.5 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | | 62.8 | 123.3 | 85.4 | -127.4 | -164.5 | 121.3 | 0 | 0 | 111.4 | | |
| 151 | I | 34.7 | Very low | 35.9 | Very low | 127 Ų | 127 | 149.8 Ų | 149.8 | 65% | 0.651 | 80% | 0.799 | S | S | * | * | | | cis | -170.7 | 133 | 48.6 | -79 | 169.8 | 0 | 0 | 0 | 108.7 | | |
| 152 | V | 33.6 | Very low | 35.6 | Very low | 119 Ų | 119 | 148.5 Ų | 148.5 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | | | trans | 45.8 | 130.1 | 135.2 | -177.4 | 0 | 0 | 0 | 0 | 119.4 | | |
| 153 | N | 29.5 | Very low | 35.4 | Very low | 120 Ų | 120 | 150.9 Ų | 150.9 | 64% | 0.642 | 80% | 0.799 | S | S | * | * | | | cis | -167.1 | 137.9 | 43.8 | -136.5 | -12.9 | 0 | 0 | 0 | 113.7 | | |
| 154 | R | 36 | Very low | 36.5 | Very low | 216 Ų | 216 | 149.9 Ų | 149.9 | 82% | 0.815 | 80% | 0.795 | S | S | * | * | | | trans | 36 | 118.4 | 138.9 | -72.3 | 174.9 | -179 | 153.5 | 0.7 | 122.6 | | |
| 155 | S | 36.8 | Very low | 36.3 | Very low | 133 Ų | 133 | 150.8 Ų | 150.8 | 93% | 0.93 | 80% | 0.796 | S | S | * | * | | | | -143.5 | 113.6 | 116.1 | -170.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 156 | S | 37.5 | Very low | 36.3 | Very low | 94 Ų | 94 | 151.2 Ų | 151.2 | 66% | 0.657 | 79% | 0.792 | S | S | * | * | | | trans | -107.5 | 134.7 | -176.4 | 51.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 157 | R | 36.3 | Very low | 36.2 | Very low | 262 Ų | 262 | 149.1 Ų | 149.1 | 99% | 0.989 | 79% | 0.792 | S | S | * | * | | | trans | -158.4 | 103.5 | 145 | -102.4 | 162 | -160.8 | -146.2 | 4.5 | 108.5 | | |
| 158 | S | 35 | Very low | 36.7 | Very low | 122 Ų | 122 | 144.7 Ų | 144.7 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | | | trans | -101.1 | 150 | 174.9 | -174.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 159 | L | 36.9 | Very low | 36.5 | Very low | 159 Ų | 159 | 140.6 Ų | 140.6 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | | | trans | -72.5 | 170.6 | 167.9 | -84 | 159.5 | 0 | 0 | 0 | 112.8 | | |
| 160 | S | 39 | Very low | 36.2 | Very low | 95 Ų | 95 | 137.7 Ų | 137.7 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | | | trans | 92.2 | 136.2 | 166.1 | 95.6 | 0 | 0 | 0 | 0 | 114 | | |
| 161 | D | 35.7 | Very low | 36.3 | Very low | 138 Ų | 138 | 135.8 Ų | 135.8 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | | | cis | -157.6 | 173.6 | 22.9 | -78.3 | -66.3 | 0 | 0 | 0 | 109.3 | | |
| 162 | I | 34.6 | Very low | 36.5 | Very low | 166 Ų | 166 | 138.2 Ų | 138.2 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | | | trans | 167.3 | 132.9 | 132.5 | -79.5 | 152.1 | 0 | 0 | 0 | 112.1 | | |
| 163 | H | 34.1 | Very low | 37.2 | Very low | 179 Ų | 179 | 137.3 Ų | 137.3 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | | | trans | -137.1 | 172.5 | 152.3 | -117.2 | -87.3 | 0 | 0 | 0 | 106 | | |
| 164 | P | 57 | Low | 37.3 | Very low | 108 Ų | 108 | 137.7 Ų | 137.7 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | | | cis | -135.1 | -177.2 | -18.4 | 38.7 | -20.5 | 0 | 0 | 0 | 114.5 | | |
| 165 | S | 31.3 | Very low | 37.3 | Very low | 109 Ų | 109 | 133.1 Ų | 133.1 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | | | trans | 98.6 | 135.2 | 146.4 | -163.3 | 0 | 0 | 0 | 0 | 122.1 | | |
| 166 | S | 32 | Very low | 37.2 | Very low | 110 Ų | 110 | 130.6 Ų | 130.6 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | | | trans | 104.5 | 109.8 | 144.8 | -26.6 | 0 | 0 | 0 | 0 | 119.3 | | |
| 167 | S | 35.4 | Very low | 37.2 | Very low | 114 Ų | 114 | 133.2 Ų | 133.2 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | | | trans | -76.9 | 166.3 | 157.3 | -42.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 168 | P | 47.2 | Very low | 37.7 | Very low | 118 Ų | 118 | 126.7 Ų | 126.7 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | | | | -155.9 | 171.4 | 70.3 | 39.2 | -16.7 | 0 | 0 | 0 | 119 | | |
| 169 | S | 33.8 | Very low | 37.7 | Very low | 105 Ų | 105 | 126.5 Ų | 126.5 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | | | trans | 76.6 | 123 | 139.7 | -84.7 | 0 | 0 | 0 | 0 | 125.7 | | |
| 170 | V | 32.2 | Very low | 37.7 | Very low | 126 Ų | 126 | 128.4 Ų | 128.4 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | | | | 69.9 | 122.7 | 129.6 | -171.9 | 0 | 0 | 0 | 0 | 116.8 | | |
| 171 | V | 34.7 | Very low | 37.6 | Very low | 132 Ų | 132 | 132 Ų | 132 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | | | | -170.3 | 135.3 | 87.3 | 167.8 | 0 | 0 | 0 | 0 | 110 | | |
| 172 | Q | 37.4 | Very low | 37.6 | Very low | 178 Ų | 178 | 136.8 Ų | 136.8 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | | | trans | -89.3 | 160.8 | 159.7 | -113.5 | -175.3 | 13.2 | 0 | 0 | 109 | | |
| 173 | P | 48.2 | Very low | 38.3 | Very low | 100 Ų | 100 | 134.1 Ų | 134.1 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | | | | -163.4 | 176.8 | 70.6 | 40.7 | -16.8 | 0 | 0 | 0 | 119.5 | | |
| 174 | T | 33.2 | Very low | 38.2 | Very low | 128 Ų | 128 | 130 Ų | 130 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | | | trans | 77.4 | 140.1 | 156.8 | 75.2 | 0 | 0 | 0 | 0 | 117.5 | | |
| 175 | S | 35.5 | Very low | 37 | Very low | 119 Ų | 119 | 129.8 Ų | 129.8 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | | | cis | -165.3 | 157.5 | 13.1 | 42 | 0 | 0 | 0 | 0 | 110.8 | | |
| 176 | G | 33.6 | Very low | 37.5 | Very low | 80 Ų | 80 | 133 Ų | 133 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | | | trans | 102.3 | 95 | 143.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 177 | I | 37.6 | Very low | 37.6 | Very low | 150 Ų | 150 | 136 Ų | 136 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | | | trans | -98.3 | 160.2 | 154.8 | -31.8 | 180 | 0 | 0 | 0 | 107.6 | V179 | I177-V179 HydrophobicContact CG2-CG2 4.28Š|
| 178 | P | 47.7 | Very low | 37.8 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | | | | -144.7 | 134.8 | 83.2 | 31.3 | -10.3 | 0 | 0 | 0 | 116.6 | | |
| 179 | V | 35.7 | Very low | 37.4 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 71% | 0.709 | 79% | 0.79 | S | S | * | * | | | trans | 16.5 | 124.5 | 134.2 | -169.6 | 0 | 0 | 0 | 0 | 119.9 | I177 | I177-V179 HydrophobicContact CG2-CG2 4.28Š|
| 180 | Q | 36.8 | Very low | 37.9 | Very low | 200 Ų | 200 | 137.4 Ų | 137.4 | 94% | 0.935 | 79% | 0.792 | S | S | * | * | | | trans | -147.8 | 132 | 138.5 | -162.8 | 159.5 | 15.3 | 0 | 0 | 111.9 | | |
| 181 | Q | 36.6 | Very low | 38.2 | Very low | 171 Ų | 171 | 138.4 Ų | 138.4 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | | | trans | -128.1 | 124.9 | -173.8 | -178.9 | -174.8 | 8.5 | 0 | 0 | 109 | | |
| 182 | R | 35.8 | Very low | 38.8 | Very low | 237 Ų | 237 | 137.4 Ų | 137.4 | 89% | 0.894 | 79% | 0.789 | S | S | * | * | | | trans | 173.8 | 168 | 132.1 | -113.8 | -158.5 | -121.8 | -177.1 | -1.4 | 114.3 | | |
| 183 | P | 47.9 | Very low | 39.2 | Very low | 111 Ų | 111 | 137.9 Ų | 137.9 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | | | | -119.8 | 160.9 | -127.2 | 36.8 | -17 | 0 | 0 | 0 | 113.2 | | |
| 184 | A | 32.1 | Very low | 38.9 | Very low | 91 Ų | 91 | 138.2 Ų | 138.2 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | | | trans | -170.5 | 132 | 150.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 185 | S | 33.4 | Very low | 39.2 | Very low | 104 Ų | 104 | 138 Ų | 138 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | | | trans | 57.6 | 107.9 | 140.3 | 56.5 | 0 | 0 | 0 | 0 | 120.7 | | |
| 186 | H | 40.9 | Very low | 39.3 | Very low | 177 Ų | 177 | 142.2 Ų | 142.2 | 82% | 0.819 | 79% | 0.788 | S | S | * | * | | | | 10 | 121.3 | 126.4 | -55.6 | -50.4 | 0 | 0 | 0 | 117.5 | | |
| 187 | L | 33.6 | Very low | 39.8 | Very low | 174 Ų | 174 | 144 Ų | 144 | 91% | 0.911 | 78% | 0.783 | S | S | * | * | | | | -160.8 | 103.9 | 126.1 | -94.2 | 171.7 | 0 | 0 | 0 | 107.2 | A189 | L187-A189 PolarHBondContact O-N 3.41Š|
| 188 | I | 39.2 | Very low | 40 | Very low | 162 Ų | 162 | 143 Ų | 143 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | | | trans | -74.1 | 109 | 170.6 | -69.5 | 159.2 | 0 | 0 | 0 | 106.3 | | |
| 189 | A | 39.5 | Very low | 39.5 | Very low | 84 Ų | 84 | 142.2 Ų | 142.2 | 69% | 0.694 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 131 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | L187 N191 | L187-A189 PolarHBondContact O-N 3.41Å; A189-N191 PolarHBondContact O-N 2.78Å |
| 190 | P | 43.4 | Very low | 39.7 | Very low | 120 Ų | 120 | 146.5 Ų | 146.5 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 126.2 | 174.2 | 26.6 | -29.8 | 0 | 0 | 0 | 109.6 | | |
| 191 | N | 40.4 | Very low | 39.8 | Very low | 146 Ų | 146 | 142.8 Ų | 142.8 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -48 | 128 | 172.4 | -171.3 | 8 | 0 | 0 | 0 | 111.3 | A189 K193 | A189-N191 PolarHBondContact O-N 2.78Å; N191-K193 PolarHBondContact O-N 2.89Å |
| 192 | P | 45.7 | Very low | 40 | Very low | 111 Ų | 111 | 138.1 Ų | 138.1 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 130.5 | 173.1 | 26.5 | -31.8 | 0 | 0 | 0 | 110.1 | | |
| 193 | K | 45.6 | Very low | 40.1 | Very low | 189 Ų | 189 | 133.2 Ų | 133.2 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 141.9 | 175.3 | -62.1 | 175.2 | -179.3 | 176.9 | 0 | 110.4 | N191 V195 | N191-K193 PolarHBondContact O-N 2.89Å; K193-V195 PolarHBondContact O-N 3.14Å |
| 194 | P | 43.3 | Very low | 39.7 | Very low | 106 Ų | 106 | 134 Ų | 134 | 69% | 0.688 | 77% | 0.771 | S | S | * | * | | | trans | -64.5 | 113.2 | 173.1 | 26.1 | -31.3 | 0 | 0 | 0 | 109.3 | Y196 | P194-Y196 PolarHBondContact O-N 3.35Š|
| 195 | V | 39.9 | Very low | 40.2 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 75% | 0.745 | 77% | 0.77 | S | S | * | * | | | trans | -74.5 | 108.2 | 167.8 | 176.1 | 0 | 0 | 0 | 0 | 106.7 | K193 T197 | K193-V195 PolarHBondContact O-N 3.14Å; V195-T197 HydrophobicContact CG1-CG2 4.18Å; V195-T197 PolarHBondContact O-N 2.97Å |
| 196 | Y | 37.1 | Very low | 40.3 | Very low | 208 Ų | 208 | 136.5 Ų | 136.5 | 82% | 0.816 | 77% | 0.771 | S | S | * | * | | | trans | -71.5 | 97 | 167.2 | -75.2 | -87.1 | 0 | 0 | 0 | 108.5 | P194 V198 | P194-Y196 PolarHBondContact O-N 3.35Å; Y196-V198 PolarHBondContact O-N 2.96Å |
| 197 | T | 43.9 | Very low | 40 | Very low | 118 Ų | 118 | 134.9 Ų | 134.9 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | | | trans | -74 | 110.8 | 163.8 | 52 | 0 | 0 | 0 | 0 | 108.2 | V195 P199 | V195-T197 HydrophobicContact CG1-CG2 4.18Å; V195-T197 PolarHBondContact O-N 2.97Å; T197-P199 WeakPolarHBondContact O-CD 3.5Å |
| 198 | V | 41.1 | Very low | 40 | Very low | 129 Ų | 129 | 133.9 Ų | 133.9 | 78% | 0.782 | 76% | 0.761 | S | S | * | * | | | trans | -61.1 | 126.4 | 168.3 | -178.4 | 0 | 0 | 0 | 0 | 108.4 | Y196 K200 | Y196-V198 PolarHBondContact O-N 2.96Å; V198-K200 PolarHBondContact O-N 3.31Å; V198-K200 VanDerWaalsContact O-N 3.14Å |
| 199 | P | 37.3 | Very low | 39.6 | Very low | 109 Ų | 109 | 130.5 Ų | 130.5 | 71% | 0.708 | 76% | 0.758 | S | S | * | * | | | trans | -60.2 | 118.2 | 170.6 | -23 | 33.9 | 0 | 0 | 0 | 110.2 | T197 V201 | T197-P199 WeakPolarHBondContact O-CD 3.5Å; P199-V201 PolarHBondContact O-N 2.99Å |
| 200 | K | 40.7 | Very low | 39.5 | Very low | 207 Ų | 207 | 131 Ų | 131 | 90% | 0.9 | 76% | 0.756 | S | S | * | * | | | trans | -70.1 | 92.7 | 170.8 | -176.1 | 159.2 | -178.5 | 166.9 | 0 | 108.5 | V198 A202 | V198-K200 PolarHBondContact O-N 3.31Å; V198-K200 VanDerWaalsContact O-N 3.14Å; K200-A202 PolarHBondContact O-N 3.05Å |
| 201 | V | 39.4 | Very low | 39.1 | Very low | 121 Ų | 121 | 131.2 Ų | 131.2 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | | | trans | -73.5 | 123.1 | 170.8 | -175 | 0 | 0 | 0 | 0 | 108.1 | P199 | P199-V201 PolarHBondContact O-N 2.99Š|
| 202 | A | 39.3 | Very low | 39 | Very low | 74 Ų | 74 | 130.7 Ų | 130.7 | 61% | 0.612 | 75% | 0.751 | S | S | * | * | | | trans | -61 | 143.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | K200 T204 | K200-A202 PolarHBondContact O-N 3.05Å; A202-T204 PolarHBondContact O-N 3.29Å |
| 203 | P | 39.2 | Very low | 38.5 | Very low | 134 Ų | 134 | 132.8 Ų | 132.8 | 87% | 0.87 | 76% | 0.755 | S | S | * | * | | | trans | -66.9 | 110.5 | -177.4 | 25.5 | -31.3 | 0 | 0 | 0 | 110.4 | | |
| 204 | T | 39.3 | Very low | 38 | Very low | 128 Ų | 128 | 130.9 Ų | 130.9 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | | | trans | -70.6 | 142 | 164.5 | -43.5 | 0 | 0 | 0 | 0 | 109 | A202 Q206 | A202-T204 PolarHBondContact O-N 3.29Å; T204-Q206 PolarHBondContact O-N 2.81Å |
| 205 | A | 41.9 | Very low | 37.7 | Very low | 88 Ų | 88 | 132 Ų | 132 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | | | trans | -38 | 122 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | V207 | A205-V207 PolarHBondContact O-N 2.87Š|
| 206 | Q | 36.5 | Very low | 37.7 | Very low | 159 Ų | 159 | 132.5 Ų | 132.5 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | | | trans | -68.9 | 109.8 | 161.4 | -66.9 | -165.3 | -25.1 | 0 | 0 | 109 | T204 K208 | T204-Q206 PolarHBondContact O-N 2.81Å; Q206-K208 HydrophobicContact CB-CG 4.41Å; Q206-K208 PolarHBondContact O-N 3.04Å |
| 207 | V | 34.4 | Very low | 37.8 | Very low | 142 Ų | 142 | 128 Ų | 128 | 86% | 0.861 | 75% | 0.753 | S | S | * | * | | | trans | -72.7 | 90.1 | 158.9 | 178.3 | 0 | 0 | 0 | 0 | 106.6 | A205 A209 | A205-V207 PolarHBondContact O-N 2.87Å; V207-A209 PolarHBondContact O-N 3.1Å |
| 208 | K | 32.7 | Very low | 37.3 | Very low | 154 Ų | 154 | 129.2 Ų | 129.2 | 67% | 0.67 | 76% | 0.756 | S | S | * | * | | | trans | -71.5 | 103.4 | 165.6 | -75.6 | -179.3 | 177 | -178 | 0 | 107.7 | Q206 S210 | Q206-K208 HydrophobicContact CB-CG 4.41Å; Q206-K208 PolarHBondContact O-N 3.04Å; K208-S210 PolarHBondContact O-N 3.34Å |
| 209 | A | 31.6 | Very low | 37.3 | Very low | 91 Ų | 91 | 126.8 Ų | 126.8 | 75% | 0.752 | 76% | 0.756 | S | S | * | * | | | trans | -71.1 | 85.8 | 158.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | V207 T211 | V207-A209 PolarHBondContact O-N 3.1Å; A209-T211 PolarHBondContact O-N 3.25Å |
| 210 | S | 36.9 | Very low | 37.4 | Very low | 95 Ų | 95 | 130.9 Ų | 130.9 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | | | trans | -77.1 | 91.8 | 167.3 | -69.2 | 0 | 0 | 0 | 0 | 108.5 | K208 I212 | K208-S210 PolarHBondContact O-N 3.34Å; S210-I212 PolarHBondContact O-N 3.05Å |
| 211 | T | 34.8 | Very low | 37.1 | Very low | 124 Ų | 124 | 127.5 Ų | 127.5 | 76% | 0.761 | 76% | 0.762 | S | S | * | * | | | trans | -78.8 | 97.7 | 163.7 | -60.6 | 0 | 0 | 0 | 0 | 108.1 | A209 I213 | A209-T211 PolarHBondContact O-N 3.25Å; T211-I213 HydrophobicContact CG2-CG1 4.36Å; T211-I213 PolarHBondContact O-N 3Å |
| 212 | I | 38.1 | Very low | 36.9 | Very low | 135 Ų | 135 | 130.8 Ų | 130.8 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | | | trans | -72.7 | 110.6 | 166.3 | -63.8 | 170.3 | 0 | 0 | 0 | 106.8 | S210 Q214 | S210-I212 PolarHBondContact O-N 3.05Å; I212-Q214 HydrophobicContact CG2-CG 4Å; I212-Q214 PolarHBondContact O-N 3.49Å |
| 213 | I | 36.3 | Very low | 36.5 | Very low | 155 Ų | 155 | 133 Ų | 133 | 80% | 0.795 | 77% | 0.773 | S | S | * | * | | | trans | -81.8 | 102.7 | 165.2 | -59.6 | 174.8 | 0 | 0 | 0 | 106.9 | T211 | T211-I213 HydrophobicContact CG2-CG1 4.36Å; T211-I213 PolarHBondContact O-N 3Å |
| 214 | Q | 34.8 | Very low | 36.1 | Very low | 148 Ų | 148 | 131.4 Ų | 131.4 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | | | trans | -79.2 | 141.9 | 162.1 | -69.3 | -179.9 | 22.3 | 0 | 0 | 108.9 | I212 T216 | I212-Q214 HydrophobicContact CG2-CG 4Å; I212-Q214 PolarHBondContact O-N 3.49Å; Q214-T216 PolarHBondContact O-N 2.89Å |
| 215 | P | 36.5 | Very low | 36 | Very low | 131 Ų | 131 | 130.6 Ų | 130.6 | 85% | 0.851 | 76% | 0.764 | S | S | * | * | | | trans | -79.3 | 105.9 | 172.2 | 30.9 | -27.9 | 0 | 0 | 0 | 108.8 | | |
| 216 | T | 39.2 | Very low | 35.6 | Very low | 132 Ų | 132 | 134.6 Ų | 134.6 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | | | trans | -89.6 | 120.7 | 169.8 | -58.4 | 0 | 0 | 0 | 0 | 109.5 | Q214 | Q214-T216 PolarHBondContact O-N 2.89Š|
| 217 | V | 40.4 | Very low | 35.4 | Very low | 113 Ų | 113 | 133.5 Ų | 133.5 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | | | trans | -73.4 | 141.4 | 172.1 | 88.5 | 0 | 0 | 0 | 0 | 109 | | |
| 218 | N | 33.5 | Very low | 35.6 | Very low | 145 Ų | 145 | 134.8 Ų | 134.8 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | | | trans | 80.9 | 95.5 | 163.8 | -54.5 | -12.7 | 0 | 0 | 0 | 118.6 | | |
| 219 | G | 40.4 | Very low | 35.7 | Very low | 77 Ų | 77 | 135 Ų | 135 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | | | | 73 | 116.2 | 112.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 220 | Q | 39.4 | Very low | 35.9 | Very low | 196 Ų | 196 | 135.8 Ų | 135.8 | 92% | 0.916 | 78% | 0.775 | S | S | * | * | | | trans | 77.6 | 103.6 | 166.1 | -73.3 | -176.3 | -26.8 | 0 | 0 | 118.1 | | |
| 221 | V | 34.4 | Very low | 35.8 | Very low | 136 Ų | 136 | 137.8 Ų | 137.8 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | | | trans | -131.7 | 117.9 | 144.5 | -178.2 | 0 | 0 | 0 | 0 | 109 | V223 | V221-V223 HydrophobicContact CG1-CG2 4.13Š|
| 222 | K | 34.4 | Very low | 35.9 | Very low | 190 Ų | 190 | 135.2 Ų | 135.2 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | | | trans | -72.1 | 120.5 | 168.7 | 178 | -178.2 | -179.8 | -170.7 | 0 | 108.2 | | |
| 223 | V | 31.6 | Very low | 35.7 | Very low | 121 Ų | 121 | 135.4 Ų | 135.4 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | | | trans | -121.7 | 113 | 168.4 | -179.8 | 0 | 0 | 0 | 0 | 108.2 | V221 | V221-V223 HydrophobicContact CG1-CG2 4.13Š|
| 224 | S | 31.4 | Very low | 35.7 | Very low | 100 Ų | 100 | 136.6 Ų | 136.6 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | | | trans | -85.9 | 116.9 | 164.2 | -69.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 225 | S | 37.7 | Very low | 35.8 | Very low | 111 Ų | 111 | 136.1 Ų | 136.1 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | | | trans | -166.9 | 130.3 | 136.3 | 15.9 | 0 | 0 | 0 | 0 | 108.5 | | |
| 226 | E | 32.6 | Very low | 35.9 | Very low | 171 Ų | 171 | 134.3 Ų | 134.3 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | | | trans | -68.6 | 139.4 | -170.8 | -63.7 | 154.7 | 132.3 | 0 | 0 | 112 | | |
| 227 | T | 32 | Very low | 35.8 | Very low | 137 Ų | 137 | 136.4 Ų | 136.4 | 84% | 0.84 | 80% | 0.797 | S | S | * | * | | | | -155.2 | 118 | 125.5 | -66.8 | 0 | 0 | 0 | 0 | 107.1 | | |
| 228 | Q | 39.6 | Very low | 35.7 | Very low | 168 Ų | 168 | 136 Ų | 136 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | | | trans | -78.8 | 132.6 | -176.4 | -56.7 | -166.8 | 6.2 | 0 | 0 | 110.6 | | |
| 229 | I | 34.9 | Very low | 36.2 | Very low | 160 Ų | 160 | 135.7 Ų | 135.7 | 82% | 0.821 | 80% | 0.804 | S | S | * | * | | | trans | -128.8 | 104.6 | 150.3 | -54.1 | 179.4 | 0 | 0 | 0 | 106.4 | | |
| 230 | S | 34.8 | Very low | 36.3 | Very low | 106 Ų | 106 | 140.8 Ų | 140.8 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | | | trans | -76.5 | 123.4 | 176.2 | -173.5 | 0 | 0 | 0 | 0 | 109.3 | | |
| 231 | T | 35 | Very low | 36.5 | Very low | 138 Ų | 138 | 135.5 Ų | 135.5 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | | | trans | -140 | 99.3 | 151.5 | 16.7 | 0 | 0 | 0 | 0 | 107.1 | | |
| 232 | G | 36.3 | Very low | 37.1 | Very low | 69 Ų | 69 | 139.8 Ų | 139.8 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | | | trans | -75.3 | 130.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 233 | V | 33.9 | Very low | 37.9 | Very low | 139 Ų | 139 | 142.3 Ų | 142.3 | 84% | 0.842 | 80% | 0.797 | S | S | * | * | | | trans | -132.8 | 115.3 | 150.9 | -178.3 | 0 | 0 | 0 | 0 | 106.7 | | |
| 234 | M | 36.8 | Very low | 38.2 | Very low | 181 Ų | 181 | 142.9 Ų | 142.9 | 89% | 0.892 | 80% | 0.801 | S | S | * | * | | | trans | -76.8 | 130.3 | 172.2 | -60.3 | -134.4 | -69.3 | 0 | 0 | 109.5 | | |
| 235 | V | 36 | Very low | 39.4 | Very low | 138 Ų | 138 | 147.7 Ų | 147.7 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | | | trans | -141.5 | 123.7 | 144.9 | -175.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 236 | A | 39.3 | Very low | 39.5 | Very low | 92 Ų | 92 | 147.6 Ų | 147.6 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | | | trans | -74.1 | 139.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 237 | E | 37.3 | Very low | 40.5 | Very low | 176 Ų | 176 | 146.3 Ų | 146.3 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | | | trans | 2.7 | 124.1 | 139.6 | -159.2 | 165.1 | 178.8 | 0 | 0 | 118.9 | | |
| 238 | A | 38.7 | Very low | 41 | Very low | 106 Ų | 106 | 143.6 Ų | 143.6 | 88% | 0.876 | 80% | 0.804 | S | S | * | * | | | trans | -145.1 | 107.5 | 148.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 239 | N | 44.8 | Very low | 41.8 | Very low | 138 Ų | 138 | 140.7 Ų | 140.7 | 74% | 0.738 | 81% | 0.808 | S | S | * | * | | | trans | -92.2 | 116.7 | 176.6 | -157.6 | -3.8 | 0 | 0 | 0 | 107.8 | | |
| 240 | Q | 42.6 | Very low | 42.4 | Very low | 184 Ų | 184 | 138.2 Ų | 138.2 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | | | trans | -158.2 | 115.3 | 160.9 | -120.2 | 166.5 | 65.8 | 0 | 0 | 115.4 | | |
| 241 | S | 43.2 | Very low | 43.7 | Very low | 85 Ų | 85 | 138.1 Ų | 138.1 | 59% | 0.594 | 80% | 0.802 | S | S | * | * | | | trans | 76.1 | 121.4 | 130.4 | -113.3 | 0 | 0 | 0 | 0 | 122.4 | | |
| 242 | R | 46.2 | Very low | 44.6 | Very low | 226 Ų | 226 | 135.3 Ų | 135.3 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | | | trans | 84.1 | 93.8 | 137.7 | -69.5 | 174.6 | -152.3 | -154 | 5.1 | 119.7 | T244 | R242-T244 PolarHBondContact O-N 3.2Š|
| 243 | R | 51.9 | Low | 45.7 | Very low | 243 Ų | 243 | 135.5 Ų | 135.5 | 92% | 0.917 | 78% | 0.781 | S | S | * | * | | | | -8.7 | 113.8 | 127.2 | -174.7 | -176.2 | -170.7 | -169.2 | 3 | 115.4 | | |
| 244 | T | 37.5 | Very low | 47 | Very low | 133 Ų | 133 | 135.3 Ų | 135.3 | 82% | 0.816 | 77% | 0.771 | S | S | * | * | | | trans | -153.9 | 121.6 | 132.3 | 45.6 | 0 | 0 | 0 | 0 | 111.5 | R242 | R242-T244 PolarHBondContact O-N 3.2Š|
| 245 | K | 55.9 | Low | 48.2 | Very low | 200 Ų | 200 | 131.2 Ų | 131.2 | 87% | 0.87 | 75% | 0.753 | S | S | * | * | | | trans | -26.2 | 119.9 | 159.6 | -163.8 | 173.3 | -171.2 | 177.8 | 0 | 114.8 | | |
| 246 | S | 40.4 | Very low | 49.6 | Very low | 110 Ų | 110 | 128.6 Ų | 128.6 | 77% | 0.769 | 74% | 0.737 | S | S | * | * | | | trans | -142.7 | 104.5 | 149.6 | 62.1 | 0 | 0 | 0 | 0 | 109.2 | A248 | S246-A248 PolarHBondContact O-N 2.83Š|
| 247 | V | 53.1 | Low | 51.1 | Low | 143 Ų | 143 | 129.8 Ų | 129.8 | 87% | 0.867 | 73% | 0.73 | S | S | * | * | | | trans | -65.5 | 107.4 | 161.2 | 168.8 | 0 | 0 | 0 | 0 | 106.3 | | |
| 248 | A | 43.3 | Very low | 53.3 | Low | 80 Ų | 80 | 124.9 Ų | 124.9 | 66% | 0.661 | 71% | 0.709 | S | S | * | * | | | trans | -144.8 | 112.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 106.8 | S246 S250 | S246-A248 PolarHBondContact O-N 2.83Å; A248-S250 PolarHBondContact O-N 2.79Å |
| 249 | A | 54.9 | Low | 55.9 | Low | 107 Ų | 107 | 124.1 Ų | 124.1 | 88% | 0.884 | 69% | 0.69 | S | S | * | * | | | trans | -58.5 | 108 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 250 | S | 49.2 | Very low | 58.3 | Low | 108 Ų | 108 | 121.7 Ų | 121.7 | 76% | 0.755 | 68% | 0.677 | S | S | * | * | | | trans | -99.2 | 122.3 | 165.5 | -165.4 | 0 | 0 | 0 | 0 | 108.4 | A248 | A248-S250 PolarHBondContact O-N 2.79Š|
| 251 | P | 61 | Low | 60.7 | Low | 104 Ų | 104 | 116.9 Ų | 116.9 | 68% | 0.675 | 66% | 0.657 | S | S | * | * | | | trans | -73.7 | 172.4 | 178.6 | 32.7 | -32.9 | 0 | 0 | 0 | 111 | A253 | P251-A253 PolarHBondContact O-N 3.43Š|
| 252 | P | 54.6 | Low | 63.2 | Low | 79 Ų | 79 | 119.6 Ų | 119.6 | 51% | 0.513 | 66% | 0.658 | S | S | . | * | | | trans | -85 | 82.9 | -135.4 | 35.3 | -37.5 | 0 | 0 | 0 | 114.7 | H254 N255 | P252-H254 PolarHBondContact O-N 2.94Å; P252-N255 HydrophobicContact CB-CB 4.08Å; P252-N255 WeakPolarHBondContact CB-ND2 3.42Å; P252-N255 PolarHBondContact O-N 3.43Å |
| 253 | A | 58.8 | Low | 65.6 | Low | 73 Ų | 73 | 113.6 Ų | 113.6 | 60% | 0.603 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -67.8 | -22 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113 | P251 N255 | P251-A253 PolarHBondContact O-N 3.43Å; A253-N255 VanDerWaalsContact C-N 3.32Å; A253-N255 PolarHBondContact O-N 3.11Å |
| 254 | H | 61 | Low | 67.7 | Low | 136 Ų | 136 | 107 Ų | 107 | 63% | 0.63 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -71.9 | -24.4 | 176.8 | -162.2 | -48.7 | 0 | 0 | 0 | 112.5 | P252 N258 | P252-H254 PolarHBondContact O-N 2.94Å; H254-N258 PolarHBondContact CE1-OD1 3.21Å; H254-N258 PolarHBondContact ND1-OD1 2.91Å; H254-N258 VanDerWaalsContact O-CG 3.31Å; H254-N258 PolarHBondContact O-OD1 3.25Å |
| 255 | N | 61.8 | Low | 70.5 | Confident | 95 Ų | 95 | 106.9 Ų | 106.9 | 51% | 0.508 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -83.2 | -31.6 | -177.4 | -66.4 | -23.8 | 0 | 0 | 0 | 112.3 | P252 A253 N258 I259 | P252-N255 HydrophobicContact CB-CB 4.08Å; P252-N255 WeakPolarHBondContact CB-ND2 3.42Å; P252-N255 PolarHBondContact O-N 3.43Å; A253-N255 VanDerWaalsContact C-N 3.32Å; A253-N255 PolarHBondContact O-N 3.11Å; N255-N258 PolarHBondContact O-N 3.34Å; N255-I259 WeakPolarHBondContact O-CD1 3.42Å; N255-I259 WeakPolarHBondContact O-CG1 3.46Å; N255-I259 PolarHBondContact O-N 2.94Å; N255-I259 VanDerWaalsContact O-N 3.08Å |
| 256 | V | 65.3 | Low | 72.5 | Confident | 83 Ų | 83 | 99.9 Ų | 99.9 | 50% | 0.503 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -69.5 | -46.9 | -178.7 | -177.6 | 0 | 0 | 0 | 0 | 111.2 | N258 I259 D260 | V256-N258 PolarHBondContact O-N 2.85Å; V256-I259 WeakPolarHBondContact O-CB 3.39Å; V256-I259 PolarHBondContact O-N 2.77Å; V256-D260 PolarHBondContact O-N 3.49Å; V256-D260 VanDerWaalsContact O-N 3.1Å |
| 257 | L | 71.4 | Confident | 75.3 | Confident | 116 Ų | 116 | 99.8 Ų | 99.8 | 61% | 0.607 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61.1 | -31.2 | 175.4 | -62.3 | 176.9 | 0 | 0 | 0 | 112.5 | N261 | L257-N261 VanDerWaalsContact O-CG 3.23Å; L257-N261 PolarHBondContact O-N 3.36Å; L257-N261 PolarHBondContact O-ND2 3.45Å |
| 258 | N | 84.2 | Confident | 77.4 | Confident | 74 Ų | 74 | 96.1 Ų | 96.1 | 40% | 0.396 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -76.4 | -24.5 | 175.8 | -77.8 | 58.8 | 0 | 0 | 0 | 113.1 | H254 N255 V256 K262 | H254-N258 PolarHBondContact CE1-OD1 3.21Å; H254-N258 PolarHBondContact ND1-OD1 2.91Å; H254-N258 VanDerWaalsContact O-CG 3.31Å; H254-N258 PolarHBondContact O-OD1 3.25Å; N255-N258 PolarHBondContact O-N 3.34Å; V256-N258 PolarHBondContact O-N 2.85Å; N258-K262 WeakPolarHBondContact O-CD 3.23Å; N258-K262 VanDerWaalsContact O-CG 3.26Å; N258-K262 WeakPolarHBondContact O-CG 2.98Å; N258-K262 PolarHBondContact O-N 2.71Å |
| 259 | I | 92.2 | Very high | 80 | Confident | 90 Ų | 90 | 98 Ų | 98 | 46% | 0.462 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -76.5 | -44.9 | 175.9 | -70.1 | 159.7 | 0 | 0 | 0 | 109.7 | N255 V256 N261 K262 I263 | N255-I259 WeakPolarHBondContact O-CD1 3.42Å; N255-I259 WeakPolarHBondContact O-CG1 3.46Å; N255-I259 PolarHBondContact O-N 2.94Å; N255-I259 VanDerWaalsContact O-N 3.08Å; V256-I259 WeakPolarHBondContact O-CB 3.39Å; V256-I259 PolarHBondContact O-N 2.77Å; I259-N261 VanDerWaalsContact C-N 3.3Å; I259-N261 PolarHBondContact O-N 3.18Å; I259-K262 CarbonylContact O-C 3.59Å; I259-K262 WeakPolarHBondContact O-CA 3.32Å; I259-K262 WeakPolarHBondContact O-CB 3.39Å; I259-K262 PolarHBondContact O-N 3.04Å; I259-I263 HydrophobicContact CG2-CD1 3.78Å; I259-I263 HydrophobicContact CG2-CG1 4.28Å; I259-I263 WeakPolarHBondContact O-CG1 3.27Å; I259-I263 PolarHBondContact O-N 2.87Å |
| 260 | D | 95 | Very high | 82.1 | Confident | 87 Ų | 87 | 97.7 Ų | 97.7 | 47% | 0.465 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59 | -43.7 | 178 | -63.6 | -24.8 | 0 | 0 | 0 | 111 | V256 K262 I263 E264 | V256-D260 PolarHBondContact O-N 3.49Å; V256-D260 VanDerWaalsContact O-N 3.1Å; D260-K262 VanDerWaalsContact C-N 3.28Å; D260-K262 PolarHBondContact O-N 3.44Å; D260-I263 PolarHBondContact O-N 3.2Å; D260-E264 WeakPolarHBondContact O-CB 3.26Å; D260-E264 PolarHBondContact O-N 3.05Å |
| 261 | N | 93.7 | Very high | 84.5 | Confident | 82 Ų | 82 | 97.6 Ų | 97.6 | 44% | 0.439 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.5 | -32.2 | 174 | -69.1 | -14.5 | 0 | 0 | 0 | 113.3 | L257 I259 Q265 | L257-N261 VanDerWaalsContact O-CG 3.23Å; L257-N261 PolarHBondContact O-N 3.36Å; L257-N261 PolarHBondContact O-ND2 3.45Å; I259-N261 VanDerWaalsContact C-N 3.3Å; I259-N261 PolarHBondContact O-N 3.18Å; N261-Q265 WeakPolarHBondContact O-CB 3.18Å; N261-Q265 WeakPolarHBondContact O-CG 3.39Å; N261-Q265 PolarHBondContact O-N 3.13Å; N261-Q265 PolarHBondContact O-NE2 3.05Å |
| 262 | K | 95.6 | Very high | 86.2 | Confident | 142 Ų | 142 | 95.5 Ų | 95.5 | 62% | 0.617 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -75.7 | -35.5 | 176.4 | -79.4 | 169.2 | 174.4 | -78 | 0 | 111.6 | N258 I259 D260 A266 | N258-K262 WeakPolarHBondContact O-CD 3.23Å; N258-K262 VanDerWaalsContact O-CG 3.26Å; N258-K262 WeakPolarHBondContact O-CG 2.98Å; N258-K262 PolarHBondContact O-N 2.71Å; I259-K262 CarbonylContact O-C 3.59Å; I259-K262 WeakPolarHBondContact O-CA 3.32Å; I259-K262 WeakPolarHBondContact O-CB 3.39Å; I259-K262 PolarHBondContact O-N 3.04Å; D260-K262 VanDerWaalsContact C-N 3.28Å; D260-K262 PolarHBondContact O-N 3.44Å; K262-A266 WeakPolarHBondContact O-CB 3.48Å; K262-A266 PolarHBondContact O-N 2.91Å |
| 263 | I | 96.1 | Very high | 88.3 | Confident | 100 Ų | 100 | 98.2 Ų | 98.2 | 51% | 0.513 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.7 | -45.9 | 173.5 | -67.4 | 168 | 0 | 0 | 0 | 109.3 | I259 D260 Q265 A266 M267 | I259-I263 HydrophobicContact CG2-CD1 3.78Å; I259-I263 HydrophobicContact CG2-CG1 4.28Å; I259-I263 WeakPolarHBondContact O-CG1 3.27Å; I259-I263 PolarHBondContact O-N 2.87Å; D260-I263 PolarHBondContact O-N 3.2Å; I263-Q265 PolarHBondContact O-N 3.4Å; I263-A266 PolarHBondContact O-N 3.45Å; I263-M267 WeakPolarHBondContact O-CB 3.32Å; I263-M267 PolarHBondContact O-N 3.4Å |
| 264 | E | 96.4 | Very high | 90.2 | Very high | 105 Ų | 105 | 99.8 Ų | 99.8 | 49% | 0.491 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.8 | -46.6 | 177 | -171.3 | 171.8 | -159 | 0 | 0 | 111.4 | D260 A266 M267 D268 | D260-E264 WeakPolarHBondContact O-CB 3.26Å; D260-E264 PolarHBondContact O-N 3.05Å; E264-A266 PolarHBondContact O-N 2.99Å; E264-M267 WeakPolarHBondContact O-CB 3.32Å; E264-M267 PolarHBondContact O-N 3.26Å; E264-M267 VanDerWaalsContact O-N 3.17Å; E264-D268 PolarHBondContact O-N 2.88Å |
| 265 | Q | 97.1 | Very high | 92 | Very high | 130 Ų | 130 | 98.5 Ų | 98.5 | 61% | 0.607 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.4 | -43.3 | 174.3 | -78.4 | 169 | 66.2 | 0 | 0 | 113.2 | N261 I263 M267 D268 L269 | N261-Q265 WeakPolarHBondContact O-CB 3.18Å; N261-Q265 WeakPolarHBondContact O-CG 3.39Å; N261-Q265 PolarHBondContact O-N 3.13Å; N261-Q265 PolarHBondContact O-NE2 3.05Å; I263-Q265 PolarHBondContact O-N 3.4Å; Q265-M267 VanDerWaalsContact C-N 3.32Å; Q265-D268 PolarHBondContact O-N 3.34Å; Q265-L269 WeakPolarHBondContact O-CB 3.1Å; Q265-L269 PolarHBondContact O-N 3.32Å |
| 266 | A | 97.9 | Very high | 93.7 | Very high | 54 Ų | 54 | 100 Ų | 100 | 45% | 0.446 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.1 | -39.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | K262 I263 E264 L269 V270 | K262-A266 WeakPolarHBondContact O-CB 3.48Å; K262-A266 PolarHBondContact O-N 2.91Å; I263-A266 PolarHBondContact O-N 3.45Å; E264-A266 PolarHBondContact O-N 2.99Å; A266-L269 PolarHBondContact O-N 2.91Å; A266-V270 VanDerWaalsContact O-CG2 3.3Å; A266-V270 WeakPolarHBondContact O-CG2 3.49Å; A266-V270 PolarHBondContact O-N 2.92Å |
| 267 | M | 98.4 | Very high | 95.3 | Very high | 108 Ų | 108 | 97.9 Ų | 97.9 | 53% | 0.532 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.2 | -43.2 | 177.6 | -174.3 | 175.8 | 62.2 | 0 | 0 | 111.9 | I263 E264 Q265 L269 V270 K271 | I263-M267 WeakPolarHBondContact O-CB 3.32Å; I263-M267 PolarHBondContact O-N 3.4Å; E264-M267 WeakPolarHBondContact O-CB 3.32Å; E264-M267 PolarHBondContact O-N 3.26Å; E264-M267 VanDerWaalsContact O-N 3.17Å; Q265-M267 VanDerWaalsContact C-N 3.32Å; M267-L269 VanDerWaalsContact C-N 3.32Å; M267-L269 PolarHBondContact O-N 2.75Å; M267-V270 PolarHBondContact O-N 2.79Å; M267-K271 WeakPolarHBondContact O-CB 3.47Å; M267-K271 PolarHBondContact O-N 2.74Å |
| 268 | D | 98 | Very high | 96.6 | Very high | 65 Ų | 65 | 96 Ų | 96 | 35% | 0.348 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.3 | -34 | 176.4 | -77.6 | -22.8 | 0 | 0 | 0 | 112.2 | E264 Q265 K271 T272 | E264-D268 PolarHBondContact O-N 2.88Å; Q265-D268 PolarHBondContact O-N 3.34Å; D268-K271 PolarHBondContact O-N 3.23Å; D268-K271 IonicContact OD1-NZ 2.78Å; D268-K271 PolarHBondContact OD1-NZ 2.89Å; D268-T272 WeakPolarHBondContact O-CB 3.46Å; D268-T272 WeakPolarHBondContact O-CG2 3.4Å; D268-T272 PolarHBondContact O-N 3.43Å; D268-T272 PolarHBondContact O-OG1 3.02Å |
| 269 | L | 98.3 | Very high | 97.3 | Very high | 120 Ų | 120 | 99.2 Ų | 99.2 | 63% | 0.628 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.1 | -45.3 | 171 | -176.2 | 64.6 | 0 | 0 | 0 | 111.6 | Q265 A266 M267 K271 T272 H273 | Q265-L269 WeakPolarHBondContact O-CB 3.1Å; Q265-L269 PolarHBondContact O-N 3.32Å; A266-L269 PolarHBondContact O-N 2.91Å; M267-L269 VanDerWaalsContact C-N 3.32Å; M267-L269 PolarHBondContact O-N 2.75Å; L269-K271 VanDerWaalsContact C-N 3.33Å; L269-K271 PolarHBondContact O-N 3.13Å; L269-T272 WeakPolarHBondContact CA-OG1 3.3Å; L269-T272 PolarHBondContact O-N 3.24Å; L269-T272 PolarHBondContact O-OG1 3.48Å; L269-H273 VanDerWaalsContact O-CB 3.31Å; L269-H273 WeakPolarHBondContact O-CB 3.41Å; L269-H273 PolarHBondContact O-N 3.4Å |
| 270 | V | 98.4 | Very high | 97.6 | Very high | 101 Ų | 101 | 101.8 Ų | 101.8 | 61% | 0.612 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.1 | -43.4 | 175.9 | 169.7 | 0 | 0 | 0 | 0 | 110.8 | A266 M267 H273 L274 | A266-V270 VanDerWaalsContact O-CG2 3.3Å; A266-V270 WeakPolarHBondContact O-CG2 3.49Å; A266-V270 PolarHBondContact O-N 2.92Å; M267-V270 PolarHBondContact O-N 2.79Å; V270-H273 PolarHBondContact O-N 3.36Å; V270-L274 WeakPolarHBondContact O-CB 3.28Å; V270-L274 PolarHBondContact O-N 2.98Å |
| 271 | K | 98.6 | Very high | 97.7 | Very high | 106 Ų | 106 | 103.9 Ų | 103.9 | 46% | 0.461 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.6 | -51.3 | 178 | -175.4 | -170.8 | -64.2 | 152.5 | 0 | 111.1 | M267 D268 L269 L274 M275 | M267-K271 WeakPolarHBondContact O-CB 3.47Å; M267-K271 PolarHBondContact O-N 2.74Å; D268-K271 PolarHBondContact O-N 3.23Å; D268-K271 IonicContact OD1-NZ 2.78Å; D268-K271 PolarHBondContact OD1-NZ 2.89Å; L269-K271 VanDerWaalsContact C-N 3.33Å; L269-K271 PolarHBondContact O-N 3.13Å; K271-L274 PolarHBondContact O-N 2.91Å; K271-M275 HydrophobicContact CG-SD 4.33Å; K271-M275 WeakPolarHBondContact O-CB 3.33Å; K271-M275 VanDerWaalsContact O-CG 3.25Å; K271-M275 WeakPolarHBondContact O-CG 3.4Å; K271-M275 PolarHBondContact O-N 3.44Å |
| 272 | T | 98.3 | Very high | 98 | Very high | 60 Ų | 60 | 102.8 Ų | 102.8 | 37% | 0.368 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 178.1 | 48.7 | 0 | 0 | 0 | 0 | 111.6 | D268 L269 L274 M275 F276 | D268-T272 WeakPolarHBondContact O-CB 3.46Å; D268-T272 WeakPolarHBondContact O-CG2 3.4Å; D268-T272 PolarHBondContact O-N 3.43Å; D268-T272 PolarHBondContact O-OG1 3.02Å; L269-T272 WeakPolarHBondContact CA-OG1 3.3Å; L269-T272 PolarHBondContact O-N 3.24Å; L269-T272 PolarHBondContact O-OG1 3.48Å; T272-L274 PolarHBondContact O-N 3.39Å; T272-M275 PolarHBondContact O-N 3.08Å; T272-F276 WeakPolarHBondContact O-CD2 3.35Å; T272-F276 PolarHBondContact O-N 2.86Å |
| 273 | H | 98.4 | Very high | 98.1 | Very high | 135 Ų | 135 | 100 Ų | 100 | 63% | 0.625 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.3 | -45.3 | 176.8 | -172 | 60.2 | 0 | 0 | 0 | 112.3 | L269 V270 F276 A277 | L269-H273 VanDerWaalsContact O-CB 3.31Å; L269-H273 WeakPolarHBondContact O-CB 3.41Å; L269-H273 PolarHBondContact O-N 3.4Å; V270-H273 PolarHBondContact O-N 3.36Å; H273-F276 PolarHBondContact O-N 3.04Å; H273-A277 WeakPolarHBondContact O-CB 3.33Å; H273-A277 PolarHBondContact O-N 2.97Å |
| 274 | L | 98.6 | Very high | 98.2 | Very high | 107 Ų | 107 | 97.4 Ų | 97.4 | 56% | 0.56 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.7 | -42.5 | 177.3 | -177 | 63 | 0 | 0 | 0 | 111.5 | V270 K271 T272 F276 A277 V278 | V270-L274 WeakPolarHBondContact O-CB 3.28Å; V270-L274 PolarHBondContact O-N 2.98Å; K271-L274 PolarHBondContact O-N 2.91Å; T272-L274 PolarHBondContact O-N 3.39Å; L274-F276 VanDerWaalsContact C-N 3.3Å; L274-F276 PolarHBondContact O-N 2.95Å; L274-A277 PolarHBondContact O-N 2.99Å; L274-V278 HydrophobicContact CD1-CG2 3.75Å; L274-V278 HydrophobicContact CG-CG2 4.1Å; L274-V278 VanDerWaalsContact O-CB 3.29Å; L274-V278 WeakPolarHBondContact O-CB 3.49Å; L274-V278 WeakPolarHBondContact O-CG2 3.27Å; L274-V278 PolarHBondContact O-N 3.14Å |
| 275 | M | 98.2 | Very high | 98.3 | Very high | 108 Ų | 108 | 97.2 Ų | 97.2 | 53% | 0.532 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.9 | -42.4 | 176.1 | -74.5 | 178.4 | 68.1 | 0 | 0 | 112 | K271 T272 R279 | K271-M275 HydrophobicContact CG-SD 4.33Å; K271-M275 WeakPolarHBondContact O-CB 3.33Å; K271-M275 VanDerWaalsContact O-CG 3.25Å; K271-M275 WeakPolarHBondContact O-CG 3.4Å; K271-M275 PolarHBondContact O-N 3.44Å; T272-M275 PolarHBondContact O-N 3.08Å; M275-R279 VanDerWaalsContact O-CB 3.28Å; M275-R279 WeakPolarHBondContact O-CB 3.42Å; M275-R279 PolarHBondContact O-N 2.9Å; M275-R279 VanDerWaalsContact O-N 3.08Å |
| 276 | F | 98.3 | Very high | 98.4 | Very high | 128 Ų | 128 | 98.7 Ų | 98.7 | 56% | 0.561 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -68.4 | -48.9 | 176.8 | -71.9 | -59.8 | 0 | 0 | 0 | 112.1 | T272 H273 L274 V278 R279 E280 | T272-F276 WeakPolarHBondContact O-CD2 3.35Å; T272-F276 PolarHBondContact O-N 2.86Å; H273-F276 PolarHBondContact O-N 3.04Å; L274-F276 VanDerWaalsContact C-N 3.3Å; L274-F276 PolarHBondContact O-N 2.95Å; F276-V278 VanDerWaalsContact C-N 3.35Å; F276-V278 PolarHBondContact O-N 3.08Å; F276-R279 PolarHBondContact O-N 3.39Å; F276-E280 WeakPolarHBondContact O-CB 3.33Å; F276-E280 PolarHBondContact O-N 3.34Å |
| 277 | A | 98.3 | Very high | 98.4 | Very high | 37 Ų | 37 | 97.7 Ų | 97.7 | 31% | 0.306 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.7 | -45.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | H273 L274 R279 E280 E281 | H273-A277 WeakPolarHBondContact O-CB 3.33Å; H273-A277 PolarHBondContact O-N 2.97Å; L274-A277 PolarHBondContact O-N 2.99Å; A277-R279 PolarHBondContact O-N 2.87Å; A277-E280 PolarHBondContact O-N 2.91Å; A277-E281 WeakPolarHBondContact O-CG 3.42Å; A277-E281 PolarHBondContact O-N 3.06Å |
| 278 | V | 98.7 | Very high | 98.4 | Very high | 78 Ų | 78 | 99 Ų | 99 | 47% | 0.473 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.7 | -41.1 | 178.1 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | L274 F276 E281 V282 | L274-V278 HydrophobicContact CD1-CG2 3.75Å; L274-V278 HydrophobicContact CG-CG2 4.1Å; L274-V278 VanDerWaalsContact O-CB 3.29Å; L274-V278 WeakPolarHBondContact O-CB 3.49Å; L274-V278 WeakPolarHBondContact O-CG2 3.27Å; L274-V278 PolarHBondContact O-N 3.14Å; F276-V278 VanDerWaalsContact C-N 3.35Å; F276-V278 PolarHBondContact O-N 3.08Å; V278-E281 PolarHBondContact O-N 3.49Å; V278-V282 HydrophobicContact CG1-CG2 4.36Å; V278-V282 WeakPolarHBondContact O-CB 3.45Å; V278-V282 VanDerWaalsContact O-CG2 3.25Å; V278-V282 WeakPolarHBondContact O-CG2 3.41Å; V278-V282 PolarHBondContact O-N 3.4Å |
| 279 | R | 98.2 | Very high | 98.5 | Very high | 141 Ų | 141 | 100.4 Ų | 100.4 | 53% | 0.532 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.9 | -47.4 | 176 | 179.8 | 178 | -70 | 151.6 | -2.1 | 111.2 | M275 F276 A277 E281 V282 D283 | M275-R279 VanDerWaalsContact O-CB 3.28Å; M275-R279 WeakPolarHBondContact O-CB 3.42Å; M275-R279 PolarHBondContact O-N 2.9Å; M275-R279 VanDerWaalsContact O-N 3.08Å; F276-R279 PolarHBondContact O-N 3.39Å; A277-R279 PolarHBondContact O-N 2.87Å; R279-E281 PolarHBondContact O-N 3.47Å; R279-V282 PolarHBondContact O-N 2.96Å; R279-D283 WeakPolarHBondContact CG-OD2 3.25Å; R279-D283 WeakPolarHBondContact O-CB 3.46Å; R279-D283 PolarHBondContact O-N 2.83Å |
| 280 | E | 98.4 | Very high | 98.5 | Very high | 144 Ų | 144 | 100.5 Ų | 100.5 | 67% | 0.673 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.2 | -45.8 | 179 | -174.3 | 177.4 | 179.4 | 0 | 0 | 111.7 | F276 A277 V282 D283 G284 | F276-E280 WeakPolarHBondContact O-CB 3.33Å; F276-E280 PolarHBondContact O-N 3.34Å; A277-E280 PolarHBondContact O-N 2.91Å; E280-V282 PolarHBondContact O-N 3.46Å; E280-D283 PolarHBondContact O-N 3.38Å; E280-G284 PolarHBondContact O-N 2.87Å |
| 281 | E | 98.4 | Very high | 98.5 | Very high | 131 Ų | 131 | 100.7 Ų | 100.7 | 61% | 0.612 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.6 | -42 | 176.6 | -70 | -62.8 | 147.9 | 0 | 0 | 111.9 | A277 V278 R279 G284 L285 | A277-E281 WeakPolarHBondContact O-CG 3.42Å; A277-E281 PolarHBondContact O-N 3.06Å; V278-E281 PolarHBondContact O-N 3.49Å; R279-E281 PolarHBondContact O-N 3.47Å; E281-G284 PolarHBondContact O-N 3.21Å; E281-L285 WeakPolarHBondContact O-CB 3.28Å; E281-L285 VanDerWaalsContact O-CG 3.25Å; E281-L285 WeakPolarHBondContact O-CG 3.49Å; E281-L285 PolarHBondContact O-N 3.46Å |
| 282 | V | 98.7 | Very high | 98.5 | Very high | 59 Ų | 59 | 100.2 Ų | 100.2 | 36% | 0.358 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.4 | -46.1 | 177.1 | 168.4 | 0 | 0 | 0 | 0 | 111.3 | V278 R279 E280 G284 L285 R286 | V278-V282 HydrophobicContact CG1-CG2 4.36Å; V278-V282 WeakPolarHBondContact O-CB 3.45Å; V278-V282 VanDerWaalsContact O-CG2 3.25Å; V278-V282 WeakPolarHBondContact O-CG2 3.41Å; V278-V282 PolarHBondContact O-N 3.4Å; R279-V282 PolarHBondContact O-N 2.96Å; E280-V282 PolarHBondContact O-N 3.46Å; V282-G284 VanDerWaalsContact C-N 3.33Å; V282-L285 PolarHBondContact O-N 3.42Å; V282-R286 WeakPolarHBondContact O-CB 3.47Å; V282-R286 VanDerWaalsContact O-CG 3.28Å; V282-R286 WeakPolarHBondContact O-CG 3.43Å; V282-R286 PolarHBondContact O-N 2.97Å |
| 283 | D | 98.5 | Very high | 98.5 | Very high | 82 Ų | 82 | 102.3 Ų | 102.3 | 44% | 0.439 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.3 | -36.9 | 179.5 | -70.4 | -23.2 | 0 | 0 | 0 | 111.1 | R279 E280 R286 G287 | R279-D283 WeakPolarHBondContact CG-OD2 3.25Å; R279-D283 WeakPolarHBondContact O-CB 3.46Å; R279-D283 PolarHBondContact O-N 2.83Å; E280-D283 PolarHBondContact O-N 3.38Å; D283-R286 PolarHBondContact O-N 3.27Å; D283-R286 IonicContact OD1-NH1 3.49Å; D283-R286 PolarHBondContact OD1-NH1 3Å; D283-G287 PolarHBondContact O-N 2.97Å |
| 284 | G | 98.6 | Very high | 98.5 | Very high | 46 Ų | 46 | 97.8 Ų | 97.8 | 47% | 0.474 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.2 | -44.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E280 E281 V282 G287 K288 | E280-G284 PolarHBondContact O-N 2.87Å; E281-G284 PolarHBondContact O-N 3.21Å; V282-G284 VanDerWaalsContact C-N 3.33Å; G284-G287 PolarHBondContact O-N 3.5Å; G284-K288 PolarHBondContact O-N 3.47Å |
| 285 | L | 98.8 | Very high | 98.5 | Very high | 102 Ų | 102 | 97.3 Ų | 97.3 | 53% | 0.534 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.3 | -42.4 | 175.4 | -72.8 | 173.9 | 0 | 0 | 0 | 112 | E281 V282 G287 K288 I289 | E281-L285 WeakPolarHBondContact O-CB 3.28Å; E281-L285 VanDerWaalsContact O-CG 3.25Å; E281-L285 WeakPolarHBondContact O-CG 3.49Å; E281-L285 PolarHBondContact O-N 3.46Å; V282-L285 PolarHBondContact O-N 3.42Å; L285-G287 VanDerWaalsContact C-N 3.35Å; L285-G287 PolarHBondContact O-N 2.78Å; L285-K288 PolarHBondContact O-N 2.89Å; L285-I289 VanDerWaalsContact O-CG1 3.28Å; L285-I289 WeakPolarHBondContact O-CG1 3.48Å; L285-I289 PolarHBondContact O-N 2.93Å |
| 286 | R | 98.6 | Very high | 98.5 | Very high | 161 Ų | 161 | 95.5 Ų | 95.5 | 61% | 0.608 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -59.3 | -45 | 175.6 | -75.4 | 169.8 | 171.8 | 179.5 | -5.1 | 111.8 | V282 D283 I289 F290 | V282-R286 WeakPolarHBondContact O-CB 3.47Å; V282-R286 VanDerWaalsContact O-CG 3.28Å; V282-R286 WeakPolarHBondContact O-CG 3.43Å; V282-R286 PolarHBondContact O-N 2.97Å; D283-R286 PolarHBondContact O-N 3.27Å; D283-R286 IonicContact OD1-NH1 3.49Å; D283-R286 PolarHBondContact OD1-NH1 3Å; R286-I289 PolarHBondContact O-N 3.49Å; R286-F290 WeakPolarHBondContact O-CB 3.47Å; R286-F290 PolarHBondContact O-N 3.48Å |
| 287 | G | 98.6 | Very high | 98.5 | Very high | 33 Ų | 33 | 95.9 Ų | 95.9 | 34% | 0.34 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.6 | -46 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | D283 G284 L285 I289 F290 D291 | D283-G287 PolarHBondContact O-N 2.97Å; G284-G287 PolarHBondContact O-N 3.5Å; L285-G287 VanDerWaalsContact C-N 3.35Å; L285-G287 PolarHBondContact O-N 2.78Å; G287-I289 PolarHBondContact O-N 3.37Å; G287-F290 WeakPolarHBondContact O-CB 3.18Å; G287-F290 PolarHBondContact O-N 3.49Å; G287-D291 PolarHBondContact O-N 2.84Å |
| 288 | K | 98.5 | Very high | 98.5 | Very high | 136 Ų | 136 | 101 Ų | 101 | 59% | 0.591 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.2 | -40.2 | 178.2 | -172.8 | 169.6 | -177.1 | 175.5 | 0 | 113 | G284 L285 L292 | G284-K288 PolarHBondContact O-N 3.47Å; L285-K288 PolarHBondContact O-N 2.89Å; K288-L292 HydrophobicContact CG-CD1 4.12Å; K288-L292 WeakPolarHBondContact O-CB 3.34Å; K288-L292 VanDerWaalsContact O-CG 3.27Å; K288-L292 WeakPolarHBondContact O-CG 2.99Å; K288-L292 PolarHBondContact O-N 3.26Å |
| 289 | I | 98.7 | Very high | 98.5 | Very high | 93 Ų | 93 | 101 Ų | 101 | 48% | 0.477 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.8 | -50.3 | 174.5 | -70.3 | 164 | 0 | 0 | 0 | 109.5 | L285 R286 G287 D291 L292 E293 | L285-I289 VanDerWaalsContact O-CG1 3.28Å; L285-I289 WeakPolarHBondContact O-CG1 3.48Å; L285-I289 PolarHBondContact O-N 2.93Å; R286-I289 PolarHBondContact O-N 3.49Å; G287-I289 PolarHBondContact O-N 3.37Å; I289-D291 VanDerWaalsContact C-N 3.34Å; I289-D291 PolarHBondContact O-N 3.08Å; I289-L292 PolarHBondContact O-N 3.48Å; I289-E293 HydrophobicContact CG2-CG 4.23Å; I289-E293 WeakPolarHBondContact O-CB 3.25Å; I289-E293 WeakPolarHBondContact O-CG 3.44Å; I289-E293 PolarHBondContact O-N 3.42Å |
| 290 | F | 98.6 | Very high | 98.4 | Very high | 122 Ų | 122 | 100.1 Ų | 100.1 | 54% | 0.535 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57.2 | -45.1 | 179.6 | 178.9 | -102.4 | 0 | 0 | 0 | 112.6 | R286 G287 E293 N294 | R286-F290 WeakPolarHBondContact O-CB 3.47Å; R286-F290 PolarHBondContact O-N 3.48Å; G287-F290 WeakPolarHBondContact O-CB 3.18Å; G287-F290 PolarHBondContact O-N 3.49Å; F290-E293 PolarHBondContact O-N 2.89Å; F290-N294 VanDerWaalsContact CD1-ND2 3.34Å; F290-N294 WeakPolarHBondContact CD1-ND2 3.44Å; F290-N294 WeakPolarHBondContact CE1-ND2 3.38Å; F290-N294 WeakPolarHBondContact CZ-ND2 3.2Å; F290-N294 WeakPolarHBondContact O-CB 3.29Å; F290-N294 PolarHBondContact O-N 3.28Å; F290-N294 PolarHBondContact O-ND2 3.46Å; F290-N294 VanDerWaalsContact O-ND2 3.13Å |
| 291 | D | 98.5 | Very high | 98.3 | Very high | 105 Ų | 105 | 95.8 Ų | 95.8 | 56% | 0.561 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.2 | -42.5 | 178.1 | -73.1 | -20.9 | 0 | 0 | 0 | 112.4 | G287 I289 N294 H295 | G287-D291 PolarHBondContact O-N 2.84Å; I289-D291 VanDerWaalsContact C-N 3.34Å; I289-D291 PolarHBondContact O-N 3.08Å; D291-N294 PolarHBondContact O-N 3Å; D291-H295 WeakPolarHBondContact O-CB 3.42Å; D291-H295 PolarHBondContact O-N 2.9Å |
| 292 | L | 98.7 | Very high | 98.2 | Very high | 97 Ų | 97 | 94 Ų | 94 | 51% | 0.508 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.7 | -43.3 | 177.3 | -73.9 | 172.2 | 0 | 0 | 0 | 111.7 | K288 I289 N294 H295 V296 | K288-L292 HydrophobicContact CG-CD1 4.12Å; K288-L292 WeakPolarHBondContact O-CB 3.34Å; K288-L292 VanDerWaalsContact O-CG 3.27Å; K288-L292 WeakPolarHBondContact O-CG 2.99Å; K288-L292 PolarHBondContact O-N 3.26Å; I289-L292 PolarHBondContact O-N 3.48Å; L292-N294 VanDerWaalsContact C-N 3.32Å; L292-N294 PolarHBondContact O-N 3.28Å; L292-H295 PolarHBondContact O-N 2.9Å; L292-V296 WeakPolarHBondContact O-CG2 3.5Å; L292-V296 PolarHBondContact O-N 3.03Å |
| 293 | E | 98.4 | Very high | 98 | Very high | 103 Ų | 103 | 94.9 Ų | 94.9 | 48% | 0.481 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.5 | -42.7 | 175.4 | -73.9 | 178.9 | 168.7 | 0 | 0 | 111.6 | I289 F290 H295 V296 R297 | I289-E293 HydrophobicContact CG2-CG 4.23Å; I289-E293 WeakPolarHBondContact O-CB 3.25Å; I289-E293 WeakPolarHBondContact O-CG 3.44Å; I289-E293 PolarHBondContact O-N 3.42Å; F290-E293 PolarHBondContact O-N 2.89Å; E293-H295 VanDerWaalsContact C-N 3.33Å; E293-H295 PolarHBondContact O-N 3.39Å; E293-V296 PolarHBondContact O-N 2.97Å; E293-R297 WeakPolarHBondContact O-CB 3.44Å; E293-R297 PolarHBondContact O-N 3.45Å |
| 294 | N | 98.3 | Very high | 97.7 | Very high | 41 Ų | 41 | 92.8 Ų | 92.8 | 22% | 0.219 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -65.2 | -37.7 | 175.6 | -71.5 | -29.3 | 0 | 0 | 0 | 112.2 | F290 D291 L292 R297 R298 | F290-N294 VanDerWaalsContact CD1-ND2 3.34Å; F290-N294 WeakPolarHBondContact CD1-ND2 3.44Å; F290-N294 WeakPolarHBondContact CE1-ND2 3.38Å; F290-N294 WeakPolarHBondContact CZ-ND2 3.2Å; F290-N294 WeakPolarHBondContact O-CB 3.29Å; F290-N294 PolarHBondContact O-N 3.28Å; F290-N294 PolarHBondContact O-ND2 3.46Å; F290-N294 VanDerWaalsContact O-ND2 3.13Å; D291-N294 PolarHBondContact O-N 3Å; L292-N294 VanDerWaalsContact C-N 3.32Å; L292-N294 PolarHBondContact O-N 3.28Å; N294-R297 PolarHBondContact OD1-NH1 3.18Å; N294-R298 WeakPolarHBondContact O-CB 3.25Å; N294-R298 PolarHBondContact O-N 2.83Å; N294-R298 VanDerWaalsContact O-N 3.13Å |
| 295 | H | 98.5 | Very high | 97.5 | Very high | 96 Ų | 96 | 95.3 Ų | 95.3 | 44% | 0.444 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.5 | -47.5 | 175.9 | -172.7 | 59.5 | 0 | 0 | 0 | 111.5 | D291 L292 E293 R297 R298 L299 | D291-H295 WeakPolarHBondContact O-CB 3.42Å; D291-H295 PolarHBondContact O-N 2.9Å; L292-H295 PolarHBondContact O-N 2.9Å; E293-H295 VanDerWaalsContact C-N 3.33Å; E293-H295 PolarHBondContact O-N 3.39Å; H295-R297 PolarHBondContact O-N 3.3Å; H295-R298 WeakPolarHBondContact O-CB 3.49Å; H295-R298 PolarHBondContact O-N 3.49Å; H295-L299 WeakPolarHBondContact NE2-CD1 3.44Å; H295-L299 WeakPolarHBondContact O-CG 3.34Å; H295-L299 PolarHBondContact O-N 3.17Å |
| 296 | V | 98.4 | Very high | 97.2 | Very high | 70 Ų | 70 | 95.2 Ų | 95.2 | 42% | 0.424 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -57.8 | -49.9 | 175.5 | 169.4 | 0 | 0 | 0 | 0 | 110.5 | L292 E293 R298 L299 E300 | L292-V296 WeakPolarHBondContact O-CG2 3.5Å; L292-V296 PolarHBondContact O-N 3.03Å; E293-V296 PolarHBondContact O-N 2.97Å; V296-R298 VanDerWaalsContact C-N 3.26Å; V296-R298 PolarHBondContact O-N 3.49Å; V296-L299 CarbonylContact O-C 3.58Å; V296-L299 PolarHBondContact O-N 3.41Å; V296-L299 VanDerWaalsContact O-N 3.11Å; V296-E300 HydrophobicContact CG1-CG 4.12Å; V296-E300 WeakPolarHBondContact CG1-OE1 3.3Å; V296-E300 WeakPolarHBondContact O-CB 3.28Å; V296-E300 VanDerWaalsContact O-CG 3.32Å; V296-E300 WeakPolarHBondContact O-CG 3.46Å; V296-E300 PolarHBondContact O-N 2.86Å |
| 297 | R | 98.2 | Very high | 96.7 | Very high | 136 Ų | 136 | 93.1 Ų | 93.1 | 51% | 0.513 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -57.7 | -39.8 | 179.6 | -167.2 | -175.4 | -56.2 | 110.8 | 5.3 | 112.6 | E293 N294 H295 A301 | E293-R297 WeakPolarHBondContact O-CB 3.44Å; E293-R297 PolarHBondContact O-N 3.45Å; N294-R297 PolarHBondContact OD1-NH1 3.18Å; H295-R297 PolarHBondContact O-N 3.3Å; R297-A301 WeakPolarHBondContact O-CB 3.36Å; R297-A301 PolarHBondContact O-N 2.84Å |
| 298 | R | 98.1 | Very high | 96.2 | Very high | 146 Ų | 146 | 101 Ų | 101 | 55% | 0.551 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65.6 | -48.5 | 176 | -169.5 | -164.2 | -37 | -130.9 | -1.7 | 111.3 | N294 H295 V296 E300 A301 E302 | N294-R298 WeakPolarHBondContact O-CB 3.25Å; N294-R298 PolarHBondContact O-N 2.83Å; N294-R298 VanDerWaalsContact O-N 3.13Å; H295-R298 WeakPolarHBondContact O-CB 3.49Å; H295-R298 PolarHBondContact O-N 3.49Å; V296-R298 VanDerWaalsContact C-N 3.26Å; V296-R298 PolarHBondContact O-N 3.49Å; R298-E300 VanDerWaalsContact C-N 3.31Å; R298-E300 PolarHBondContact O-N 3.49Å; R298-A301 WeakPolarHBondContact O-CB 3.31Å; R298-A301 PolarHBondContact O-N 2.85Å; R298-E302 WeakPolarHBondContact CG-OE1 3.35Å; R298-E302 WeakPolarHBondContact O-CG 3.42Å; R298-E302 PolarHBondContact O-N 3.23Å |
| 299 | L | 98.2 | Very high | 95.8 | Very high | 78 Ų | 78 | 99.5 Ų | 99.5 | 41% | 0.408 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.2 | -38.5 | 177.6 | -72.2 | 178.9 | 0 | 0 | 0 | 111.8 | H295 V296 E302 N303 | H295-L299 WeakPolarHBondContact NE2-CD1 3.44Å; H295-L299 WeakPolarHBondContact O-CG 3.34Å; H295-L299 PolarHBondContact O-N 3.17Å; V296-L299 CarbonylContact O-C 3.58Å; V296-L299 PolarHBondContact O-N 3.41Å; V296-L299 VanDerWaalsContact O-N 3.11Å; L299-E302 PolarHBondContact O-N 2.97Å; L299-N303 WeakPolarHBondContact O-CB 3.36Å; L299-N303 PolarHBondContact O-N 2.96Å |
| 300 | E | 97.1 | Very high | 95.2 | Very high | 122 Ų | 122 | 97.6 Ų | 97.6 | 57% | 0.57 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63.8 | -41.2 | 174.9 | -74.4 | 175.3 | 163.4 | 0 | 0 | 111.7 | V296 R298 S304 | V296-E300 HydrophobicContact CG1-CG 4.12Å; V296-E300 WeakPolarHBondContact CG1-OE1 3.3Å; V296-E300 WeakPolarHBondContact O-CB 3.28Å; V296-E300 VanDerWaalsContact O-CG 3.32Å; V296-E300 WeakPolarHBondContact O-CG 3.46Å; V296-E300 PolarHBondContact O-N 2.86Å; R298-E300 VanDerWaalsContact C-N 3.31Å; R298-E300 PolarHBondContact O-N 3.49Å; E300-S304 VanDerWaalsContact O-CB 3.27Å; E300-S304 WeakPolarHBondContact O-CB 3.37Å; E300-S304 PolarHBondContact O-N 3.05Å |
| 301 | A | 96.5 | Very high | 94.5 | Very high | 53 Ų | 53 | 95.9 Ų | 95.9 | 44% | 0.438 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.8 | -48.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | R297 R298 S304 I305 | R297-A301 WeakPolarHBondContact O-CB 3.36Å; R297-A301 PolarHBondContact O-N 2.84Å; R298-A301 WeakPolarHBondContact O-CB 3.31Å; R298-A301 PolarHBondContact O-N 2.85Å; A301-S304 PolarHBondContact O-N 3.34Å; A301-I305 WeakPolarHBondContact O-CG1 2.99Å; A301-I305 PolarHBondContact O-N 2.99Å |
| 302 | E | 95.9 | Very high | 93.7 | Very high | 94 Ų | 94 | 96.5 Ų | 96.5 | 44% | 0.439 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.7 | -47.2 | 176.2 | -71.8 | 173.2 | -159.6 | 0 | 0 | 111.3 | R298 L299 S304 I305 L306 | R298-E302 WeakPolarHBondContact CG-OE1 3.35Å; R298-E302 WeakPolarHBondContact O-CG 3.42Å; R298-E302 PolarHBondContact O-N 3.23Å; L299-E302 PolarHBondContact O-N 2.97Å; E302-S304 VanDerWaalsContact C-N 3.33Å; E302-S304 PolarHBondContact O-N 3.37Å; E302-I305 PolarHBondContact O-N 3.01Å; E302-I305 VanDerWaalsContact O-N 3.14Å; E302-L306 VanDerWaalsContact O-CG 3.32Å; E302-L306 WeakPolarHBondContact O-CG 3.5Å; E302-L306 PolarHBondContact O-N 3.44Å |
| 303 | N | 94.3 | Very high | 92.9 | Very high | 76 Ų | 76 | 97.1 Ų | 97.1 | 41% | 0.406 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63 | -41 | 178.3 | -166.3 | -58.3 | 0 | 0 | 0 | 111.1 | L299 I305 L306 K307 | L299-N303 WeakPolarHBondContact O-CB 3.36Å; L299-N303 PolarHBondContact O-N 2.96Å; N303-I305 VanDerWaalsContact C-N 3.3Å; N303-I305 PolarHBondContact O-N 2.93Å; N303-L306 PolarHBondContact O-N 2.84Å; N303-K307 WeakPolarHBondContact O-CB 3.36Å; N303-K307 VanDerWaalsContact O-CG 3.32Å; N303-K307 WeakPolarHBondContact O-CG 3.41Å; N303-K307 PolarHBondContact O-N 3.41Å; N303-K307 VanDerWaalsContact OD1-CD 3.23Å; N303-K307 WeakPolarHBondContact OD1-CD 3.46Å; N303-K307 WeakPolarHBondContact OD1-CE 3.19Å; N303-K307 PolarHBondContact OD1-NZ 3.2Å |
| 304 | S | 92.9 | Very high | 92.1 | Very high | 39 Ų | 39 | 95.5 Ų | 95.5 | 27% | 0.273 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.6 | -36.2 | 175.3 | -176.5 | 0 | 0 | 0 | 0 | 112.3 | E300 A301 E302 R308 | E300-S304 VanDerWaalsContact O-CB 3.27Å; E300-S304 WeakPolarHBondContact O-CB 3.37Å; E300-S304 PolarHBondContact O-N 3.05Å; A301-S304 PolarHBondContact O-N 3.34Å; E302-S304 VanDerWaalsContact C-N 3.33Å; E302-S304 PolarHBondContact O-N 3.37Å; S304-R308 VanDerWaalsContact O-CG 3.26Å; S304-R308 WeakPolarHBondContact O-CG 3.49Å; S304-R308 PolarHBondContact O-N 3.26Å; S304-R308 VanDerWaalsContact OG-CZ 3.31Å; S304-R308 PolarHBondContact OG-NE 3.1Å; S304-R308 PolarHBondContact OG-NH2 3.24Å |
| 305 | I | 93.4 | Very high | 91.2 | Very high | 99 Ų | 99 | 94.9 Ų | 94.9 | 51% | 0.508 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68 | -49.4 | 175.1 | -68 | 164.1 | 0 | 0 | 0 | 109.5 | A301 E302 N303 K307 R308 T309 | A301-I305 WeakPolarHBondContact O-CG1 2.99Å; A301-I305 PolarHBondContact O-N 2.99Å; E302-I305 PolarHBondContact O-N 3.01Å; E302-I305 VanDerWaalsContact O-N 3.14Å; N303-I305 VanDerWaalsContact C-N 3.3Å; N303-I305 PolarHBondContact O-N 2.93Å; I305-K307 VanDerWaalsContact C-N 3.33Å; I305-K307 PolarHBondContact O-N 2.96Å; I305-R308 PolarHBondContact O-N 3.22Å; I305-T309 PolarHBondContact O-N 3.23Å; I305-T309 PolarHBondContact O-OG1 3.08Å |
| 306 | L | 92.5 | Very high | 90.4 | Very high | 100 Ų | 100 | 96 Ų | 96 | 52% | 0.524 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -56.8 | -45.5 | 179 | -70.2 | 170.2 | 0 | 0 | 0 | 111.8 | E302 N303 R308 T309 I310 | E302-L306 VanDerWaalsContact O-CG 3.32Å; E302-L306 WeakPolarHBondContact O-CG 3.5Å; E302-L306 PolarHBondContact O-N 3.44Å; N303-L306 PolarHBondContact O-N 2.84Å; L306-R308 VanDerWaalsContact C-N 3.25Å; L306-R308 PolarHBondContact O-N 3Å; L306-T309 PolarHBondContact O-N 3.4Å; L306-T309 VanDerWaalsContact O-N 3.15Å; L306-I310 HydrophobicContact CB-CD1 4.19Å; L306-I310 WeakPolarHBondContact O-CB 3.42Å; L306-I310 WeakPolarHBondContact O-CD1 3.42Å; L306-I310 WeakPolarHBondContact O-CG1 3.46Å; L306-I310 PolarHBondContact O-N 3.31Å |
| 307 | K | 89.3 | Confident | 89.5 | Confident | 116 Ų | 116 | 98.8 Ų | 98.8 | 50% | 0.504 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.8 | -32.5 | 176.8 | -77 | 177.5 | 169.8 | 166.7 | 0 | 113.5 | N303 I305 L315 | N303-K307 WeakPolarHBondContact O-CB 3.36Å; N303-K307 VanDerWaalsContact O-CG 3.32Å; N303-K307 WeakPolarHBondContact O-CG 3.41Å; N303-K307 PolarHBondContact O-N 3.41Å; N303-K307 VanDerWaalsContact OD1-CD 3.23Å; N303-K307 WeakPolarHBondContact OD1-CD 3.46Å; N303-K307 WeakPolarHBondContact OD1-CE 3.19Å; N303-K307 PolarHBondContact OD1-NZ 3.2Å; I305-K307 VanDerWaalsContact C-N 3.33Å; I305-K307 PolarHBondContact O-N 2.96Å; K307-L315 HydrophobicContact CB-CD1 4.19Å; K307-L315 HydrophobicContact CG-CD1 4.11Å |
| 308 | R | 87.9 | Confident | 88.5 | Confident | 198 Ų | 198 | 96.6 Ų | 96.6 | 75% | 0.747 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -80.2 | -31 | 176.8 | -67.1 | 173.1 | -156.6 | 164.4 | 6.5 | 112.4 | S304 I305 L306 | S304-R308 VanDerWaalsContact O-CG 3.26Å; S304-R308 WeakPolarHBondContact O-CG 3.49Å; S304-R308 PolarHBondContact O-N 3.26Å; S304-R308 VanDerWaalsContact OG-CZ 3.31Å; S304-R308 PolarHBondContact OG-NE 3.1Å; S304-R308 PolarHBondContact OG-NH2 3.24Å; I305-R308 PolarHBondContact O-N 3.22Å; L306-R308 VanDerWaalsContact C-N 3.25Å; L306-R308 PolarHBondContact O-N 3Å |
| 309 | T | 88.5 | Confident | 87.5 | Confident | 106 Ų | 106 | 95.1 Ų | 95.1 | 65% | 0.65 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -87.8 | -27.7 | -175.1 | -53.4 | 0 | 0 | 0 | 0 | 112.8 | I305 L306 | I305-T309 PolarHBondContact O-N 3.23Å; I305-T309 PolarHBondContact O-OG1 3.08Å; L306-T309 PolarHBondContact O-N 3.4Å; L306-T309 VanDerWaalsContact O-N 3.15Å |
| 310 | I | 87.5 | Confident | 86.5 | Confident | 52 Ų | 52 | 98.7 Ų | 98.7 | 27% | 0.267 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -78.7 | 132 | -179.1 | -66 | 166.3 | 0 | 0 | 0 | 110 | L306 N312 T314 L315 | L306-I310 HydrophobicContact CB-CD1 4.19Å; L306-I310 WeakPolarHBondContact O-CB 3.42Å; L306-I310 WeakPolarHBondContact O-CD1 3.42Å; L306-I310 WeakPolarHBondContact O-CG1 3.46Å; L306-I310 PolarHBondContact O-N 3.31Å; I310-N312 PolarHBondContact O-N 3.39Å; I310-T314 HydrophobicContact CG2-CG2 4.04Å; I310-L315 HydrophobicContact CG2-CB 4.16Å |
| 311 | P | 84 | Confident | 85.1 | Confident | 87 Ų | 87 | 101.4 Ų | 101.4 | 57% | 0.565 | 52% | 0.515 | S | S | * | . | | | trans | -55.7 | 138.4 | 173.6 | -25.1 | 33.7 | 0 | 0 | 0 | 112.2 | D313 T314 L315 | P311-D313 PolarHBondContact O-N 2.77Å; P311-D313 VanDerWaalsContact O-N 3.09Å; P311-T314 PolarHBondContact O-N 3.48Å; P311-L315 PolarHBondContact O-N 3Å |
| 312 | N | 81.9 | Confident | 83.2 | Confident | 117 Ų | 117 | 108.8 Ų | 108.8 | 63% | 0.626 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -53.7 | -35 | -175 | -77.9 | -69 | 0 | 0 | 0 | 113.8 | I310 L315 K316 | I310-N312 PolarHBondContact O-N 3.39Å; N312-L315 PolarHBondContact O-N 3.37Å; N312-K316 VanDerWaalsContact O-CG 3.25Å; N312-K316 WeakPolarHBondContact O-CG 3.35Å; N312-K316 PolarHBondContact O-N 3.2Å |
| 313 | D | 80.1 | Confident | 82.5 | Confident | 110 Ų | 110 | 109.6 Ų | 109.6 | 59% | 0.588 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -70.1 | -39 | -179.6 | -64 | -27.8 | 0 | 0 | 0 | 112.3 | P311 K316 Q317 | P311-D313 PolarHBondContact O-N 2.77Å; P311-D313 VanDerWaalsContact O-N 3.09Å; D313-K316 IonicContact OD1-NZ 3.7Å; D313-Q317 WeakPolarHBondContact O-CG 3.26Å; D313-Q317 PolarHBondContact O-N 2.99Å; D313-Q317 VanDerWaalsContact O-N 3.15Å |
| 314 | T | 81.6 | Confident | 81.9 | Confident | 69 Ų | 69 | 111.3 Ų | 111.3 | 42% | 0.423 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.1 | -41 | 172.8 | -49.8 | 0 | 0 | 0 | 0 | 110.9 | I310 P311 K316 Q317 L318 | I310-T314 HydrophobicContact CG2-CG2 4.04Å; P311-T314 PolarHBondContact O-N 3.48Å; T314-K316 PolarHBondContact O-N 3.5Å; T314-Q317 PolarHBondContact O-N 3.04Å; T314-L318 WeakPolarHBondContact O-CG 3.21Å; T314-L318 PolarHBondContact O-N 3.41Å |
| 315 | L | 80.8 | Confident | 81.3 | Confident | 29 Ų | 29 | 115.3 Ų | 115.3 | 15% | 0.152 | 58% | 0.575 | C | S | . | * | H | α-helix | trans | -64.5 | -40.1 | 179.2 | -166.6 | 138.9 | 0 | 0 | 0 | 112.1 | K307 I310 P311 N312 L318 H319 | K307-L315 HydrophobicContact CB-CD1 4.19Å; K307-L315 HydrophobicContact CG-CD1 4.11Å; I310-L315 HydrophobicContact CG2-CB 4.16Å; P311-L315 PolarHBondContact O-N 3Å; N312-L315 PolarHBondContact O-N 3.37Å; L315-L318 PolarHBondContact O-N 3.26Å; L315-H319 VanDerWaalsContact CD2-CE1 3.42Å; L315-H319 WeakPolarHBondContact CD2-CE1 3.42Å; L315-H319 PolarHBondContact O-N 3.34Å |
| 316 | K | 80.8 | Confident | 80.6 | Confident | 118 Ų | 118 | 116.3 Ų | 116.3 | 51% | 0.513 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61.9 | -43.1 | 172.4 | -71.9 | 167.7 | -171.3 | 169.1 | 0 | 112.1 | N312 D313 T314 L318 H319 L320 | N312-K316 VanDerWaalsContact O-CG 3.25Å; N312-K316 WeakPolarHBondContact O-CG 3.35Å; N312-K316 PolarHBondContact O-N 3.2Å; D313-K316 IonicContact OD1-NZ 3.7Å; T314-K316 PolarHBondContact O-N 3.5Å; K316-L318 VanDerWaalsContact C-N 3.27Å; K316-L318 PolarHBondContact O-N 3.37Å; K316-H319 PolarHBondContact O-N 3.18Å; K316-L320 WeakPolarHBondContact O-CD1 3.21Å; K316-L320 PolarHBondContact O-N 3.2Å; K316-L320 VanDerWaalsContact O-N 3.09Å |
| 317 | Q | 79.2 | Confident | 79.8 | Confident | 130 Ų | 130 | 117.3 Ų | 117.3 | 61% | 0.607 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.5 | -33.1 | 177.1 | -72.2 | -178.1 | 15.2 | 0 | 0 | 112.8 | D313 T314 K321 | D313-Q317 WeakPolarHBondContact O-CG 3.26Å; D313-Q317 PolarHBondContact O-N 2.99Å; D313-Q317 VanDerWaalsContact O-N 3.15Å; T314-Q317 PolarHBondContact O-N 3.04Å; Q317-K321 WeakPolarHBondContact O-CG 3.42Å |
| 318 | L | 78.1 | Confident | 79.2 | Confident | 89 Ų | 89 | 117.4 Ų | 117.4 | 47% | 0.466 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -71.4 | -41.5 | 174.5 | -67.6 | 173.2 | 0 | 0 | 0 | 111.8 | T314 L315 K316 L320 K321 | T314-L318 WeakPolarHBondContact O-CG 3.21Å; T314-L318 PolarHBondContact O-N 3.41Å; L315-L318 PolarHBondContact O-N 3.26Å; K316-L318 VanDerWaalsContact C-N 3.27Å; K316-L318 PolarHBondContact O-N 3.37Å; L318-L320 VanDerWaalsContact C-N 3.27Å; L318-L320 PolarHBondContact O-N 3.45Å; L318-K321 PolarHBondContact O-N 3.47Å; L318-K321 VanDerWaalsContact O-N 3.11Å |
| 319 | H | 77.9 | Confident | 78.6 | Confident | 116 Ų | 116 | 111.6 Ų | 111.6 | 54% | 0.537 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.9 | -26.4 | 175.9 | -74.7 | 177.1 | 0 | 0 | 0 | 113.9 | L315 K316 K321 | L315-H319 VanDerWaalsContact CD2-CE1 3.42Å; L315-H319 WeakPolarHBondContact CD2-CE1 3.42Å; L315-H319 PolarHBondContact O-N 3.34Å; K316-H319 PolarHBondContact O-N 3.18Å; H319-K321 VanDerWaalsContact C-N 3.28Å |
| 320 | L | 76.9 | Confident | 77.8 | Confident | 152 Ų | 152 | 112.1 Ų | 112.1 | 80% | 0.796 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -9.9 | 174 | -94.3 | 98.1 | 0 | 0 | 0 | 114 | K316 L318 | K316-L320 WeakPolarHBondContact O-CD1 3.21Å; K316-L320 PolarHBondContact O-N 3.2Å; K316-L320 VanDerWaalsContact O-N 3.09Å; L318-L320 VanDerWaalsContact C-N 3.27Å; L318-L320 PolarHBondContact O-N 3.45Å |
| 321 | K | 67.8 | Low | 77 | Confident | 180 Ų | 180 | 117.1 Ų | 117.1 | 78% | 0.783 | 60% | 0.595 | S | S | * | * | | | trans | -108.1 | -6 | -174.5 | -76 | -174.9 | 175.9 | -179.3 | 0 | 114.5 | Q317 L318 H319 | Q317-K321 WeakPolarHBondContact O-CG 3.42Å; L318-K321 PolarHBondContact O-N 3.47Å; L318-K321 VanDerWaalsContact O-N 3.11Å; H319-K321 VanDerWaalsContact C-N 3.28Å |
| 322 | L | 55.3 | Low | 76.4 | Confident | 208 Ų | 208 | 119.8 Ų | 119.8 | 100% | 1.089 | 60% | 0.598 | S | S | * | * | | | trans | -104.4 | 0 | 173.9 | -96.6 | 133.4 | 0 | 0 | 0 | 109.5 | | |