| 1 | M | 58.5 | Low | 56.5 | Low | 220 Ų | 220 | 124.3 Ų | 124.3 | 100% | 1.084 | 65% | 0.649 | S | S | * | * | | | | 0 | -18.6 | 0 | -79 | -157.6 | -107.7 | 0 | 0 | 114.9 | | |
| 2 | A | 57.8 | Low | 56.2 | Low | 82 Ų | 82 | 123.8 Ų | 123.8 | 68% | 0.678 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -79.4 | -17.6 | 177 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 3 | A | 56.7 | Low | 55.7 | Low | 80 Ų | 80 | 124.1 Ų | 124.1 | 66% | 0.661 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -81.4 | -23.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 4 | L | 56.9 | Low | 55.6 | Low | 123 Ų | 123 | 126.1 Ų | 126.1 | 64% | 0.644 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -83.3 | -23.1 | -179.5 | -68.5 | 170.9 | 0 | 0 | 0 | 112.9 | S8 | L4-S8 PolarHBondContact O-N 3.28Å |
| 5 | F | 55.5 | Low | 55.5 | Low | 141 Ų | 141 | 129.2 Ų | 129.2 | 62% | 0.618 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -72.3 | -31.3 | 176.8 | -169.7 | -103.4 | 0 | 0 | 0 | 112.4 | L9 | F5-L9 HydrophobicContact CD1-CD1 4.44Å; F5-L9 HydrophobicContact CE1-CD1 4.04Å; F5-L9 PolarHBondContact O-N 3.5Å |
| 6 | N | 55.7 | Low | 55 | Low | 115 Ų | 115 | 130.8 Ų | 130.8 | 62% | 0.615 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -76.8 | -25.5 | 177 | -89 | -62.6 | 0 | 0 | 0 | 113.5 | R10 | N6-R10 PolarHBondContact O-N 3.17Å |
| 7 | E | 58.3 | Low | 54.6 | Low | 103 Ų | 103 | 129.5 Ų | 129.5 | 48% | 0.481 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -77 | -30.9 | 176.2 | -153.9 | -177.1 | 140.6 | 0 | 0 | 112 | R10 K11 | E7-R10 PolarHBondContact O-N 3.26Å; E7-K11 PolarHBondContact O-N 3.08Å; E7-K11 IonicContact OE1-NZ 2.77Å; E7-K11 PolarHBondContact OE1-NZ 3.36Å |
| 8 | S | 56.6 | Low | 54.2 | Low | 75 Ų | 75 | 128.8 Ų | 128.8 | 52% | 0.524 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -69 | -33.3 | 173 | -78 | 0 | 0 | 0 | 0 | 113.5 | L4 R10 V12 | L4-S8 PolarHBondContact O-N 3.28Å; S8-R10 VanDerWaalsContact C-N 3.33Å; S8-V12 WeakPolarHBondContact O-CG2 3.26Å; S8-V12 PolarHBondContact O-N 3.4Å |
| 9 | L | 52.8 | Low | 53.6 | Low | 102 Ų | 102 | 128.6 Ų | 128.6 | 53% | 0.534 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -74 | -24.9 | 175.9 | -68.5 | 179.9 | 0 | 0 | 0 | 113 | F5 | F5-L9 HydrophobicContact CD1-CD1 4.44Å; F5-L9 HydrophobicContact CE1-CD1 4.04Å; F5-L9 PolarHBondContact O-N 3.5Å |
| 10 | R | 56.8 | Low | 52.9 | Low | 199 Ų | 199 | 129.5 Ų | 129.5 | 75% | 0.751 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -73.8 | -36 | 175.2 | -144.6 | 174.5 | -172.4 | 153.7 | 1.8 | 111.9 | N6 E7 S8 N13 | N6-R10 PolarHBondContact O-N 3.17Å; E7-R10 PolarHBondContact O-N 3.26Å; S8-R10 VanDerWaalsContact C-N 3.33Å; R10-N13 PolarHBondContact O-N 3.42Å |
| 11 | K | 56.1 | Low | 52.6 | Low | 127 Ų | 127 | 129.7 Ų | 129.7 | 55% | 0.552 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -76.4 | -21.7 | 179.3 | -75.3 | 175.3 | 178.8 | 162 | 0 | 114.6 | E7 | E7-K11 PolarHBondContact O-N 3.08Å; E7-K11 IonicContact OE1-NZ 2.77Å; E7-K11 PolarHBondContact OE1-NZ 3.36Å |
| 12 | V | 53.1 | Low | 51.9 | Low | 119 Ų | 119 | 127.4 Ų | 127.4 | 72% | 0.721 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -79.2 | -25.2 | 173.4 | 176.8 | 0 | 0 | 0 | 0 | 111.9 | S8 E14 | S8-V12 WeakPolarHBondContact O-CG2 3.26Å; S8-V12 PolarHBondContact O-N 3.4Å; V12-E14 VanDerWaalsContact C-N 3.34Å |
| 13 | N | 49.6 | Very low | 51.3 | Low | 127 Ų | 127 | 131.4 Ų | 131.4 | 68% | 0.679 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -4.1 | 179 | -163.4 | 65.7 | 0 | 0 | 0 | 114 | R10 | R10-N13 PolarHBondContact O-N 3.42Š|
| 14 | E | 54.6 | Low | 50.5 | Low | 153 Ų | 153 | 133.6 Ų | 133.6 | 72% | 0.715 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | -0.3 | -178.5 | -115.6 | 170.4 | -179.4 | 0 | 0 | 113.4 | V12 | V12-E14 VanDerWaalsContact C-N 3.34Š|
| 15 | Q | 54.1 | Low | 49.9 | Very low | 172 Ų | 172 | 136.1 Ų | 136.1 | 80% | 0.804 | 69% | 0.689 | S | S | * | * | | | trans | -110.4 | 23.5 | -179.8 | -136.1 | 98.9 | 64.9 | 0 | 0 | 113.2 | | |
| 16 | Q | 47.2 | Very low | 49.4 | Very low | 155 Ų | 155 | 133.8 Ų | 133.8 | 72% | 0.724 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -82.6 | 128.9 | 162.5 | -97.5 | 173.8 | -13.6 | 0 | 0 | 109 | | |
| 17 | P | 47.6 | Very low | 48.7 | Very low | 108 Ų | 108 | 133.7 Ų | 133.7 | 70% | 0.701 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 147.3 | 170.6 | 27 | -33 | 0 | 0 | 0 | 108.8 | T19 | P17-T19 PolarHBondContact O-N 2.99Š|
| 18 | P | 48.6 | Very low | 48.2 | Very low | 118 Ų | 118 | 138.7 Ų | 138.7 | 77% | 0.766 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 118.3 | -178.7 | 23.7 | -32.7 | 0 | 0 | 0 | 108.9 | I20 | P18-I20 PolarHBondContact O-N 3.09Š|
| 19 | T | 41.9 | Very low | 47.6 | Very low | 124 Ų | 124 | 144.1 Ų | 144.1 | 76% | 0.761 | 72% | 0.721 | S | S | * | * | | | trans | -56.6 | 110.3 | 160.7 | 33.2 | 0 | 0 | 0 | 0 | 106.5 | P17 I21 | P17-T19 PolarHBondContact O-N 2.99Å; T19-I21 PolarHBondContact O-N 3.41Å |
| 20 | I | 40 | Very low | 47.4 | Very low | 147 Ų | 147 | 143.4 Ų | 143.4 | 75% | 0.754 | 73% | 0.73 | S | S | * | * | | | trans | -59.5 | 96.9 | 164.1 | -62.1 | 166.5 | 0 | 0 | 0 | 104.8 | P18 E22 | P18-I20 PolarHBondContact O-N 3.09Å; I20-E22 VanDerWaalsContact C-N 3.27Å; I20-E22 HydrophobicContact CG2-CG 3.99Å; I20-E22 PolarHBondContact O-N 3.09Å; I20-E22 VanDerWaalsContact O-N 3.13Å |
| 21 | I | 45.9 | Very low | 47.1 | Very low | 134 Ų | 134 | 141.8 Ų | 141.8 | 69% | 0.687 | 74% | 0.736 | S | S | * | * | | | trans | -69.3 | 102.2 | 156.1 | -59.2 | 172.9 | 0 | 0 | 0 | 102.3 | T19 E23 | T19-I21 PolarHBondContact O-N 3.41Å; I21-E23 HydrophobicContact CG2-CG 4.19Å; I21-E23 PolarHBondContact O-N 3.49Å |
| 22 | E | 44.6 | Very low | 46.6 | Very low | 171 Ų | 171 | 141.6 Ų | 141.6 | 80% | 0.799 | 73% | 0.732 | S | S | * | * | | | trans | -61.1 | 92.8 | 159.6 | -72.3 | -169.9 | 166 | 0 | 0 | 105.5 | I20 D24 | I20-E22 VanDerWaalsContact C-N 3.27Å; I20-E22 HydrophobicContact CG2-CG 3.99Å; I20-E22 PolarHBondContact O-N 3.09Å; I20-E22 VanDerWaalsContact O-N 3.13Å; E22-D24 PolarHBondContact O-N 3.05Å |
| 23 | E | 44.9 | Very low | 46.6 | Very low | 166 Ų | 166 | 139.8 Ų | 139.8 | 78% | 0.776 | 72% | 0.722 | S | S | * | * | | | trans | -63.4 | 94.1 | 155.7 | -68.2 | -163.4 | 162.1 | 0 | 0 | 105.2 | I21 E25 | I21-E23 HydrophobicContact CG2-CG 4.19Å; I21-E23 PolarHBondContact O-N 3.49Å; E23-E25 PolarHBondContact O-N 3.02Å |
| 24 | D | 38.9 | Very low | 47.1 | Very low | 126 Ų | 126 | 139 Ų | 139 | 67% | 0.674 | 72% | 0.724 | S | S | * | * | | | trans | -59.6 | 87.4 | 163.5 | -171.2 | 13.7 | 0 | 0 | 0 | 106.5 | E22 T26 | E22-D24 PolarHBondContact O-N 3.05Å; D24-T26 PolarHBondContact O-N 3.14Å; D24-T26 PolarHBondContact O-OG1 3.08Å |
| 25 | E | 45.2 | Very low | 47.2 | Very low | 176 Ų | 176 | 139 Ų | 139 | 82% | 0.822 | 73% | 0.729 | S | S | * | * | | | trans | -62.2 | 69.2 | 162.8 | -96.6 | -102.3 | 138.7 | 0 | 0 | 107.6 | E23 P27 | E23-E25 PolarHBondContact O-N 3.02Å; E25-P27 WeakPolarHBondContact O-CD 3.45Å |
| 26 | T | 44.2 | Very low | 47.1 | Very low | 92 Ų | 92 | 135.1 Ų | 135.1 | 56% | 0.564 | 71% | 0.713 | S | S | * | * | | | trans | -64.2 | 120.2 | 162.3 | 27.7 | 0 | 0 | 0 | 0 | 106.1 | D24 K28 | D24-T26 PolarHBondContact O-N 3.14Å; D24-T26 PolarHBondContact O-OG1 3.08Å; T26-K28 PolarHBondContact O-N 3.28Å |
| 27 | P | 42.1 | Very low | 47.4 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 74% | 0.74 | 71% | 0.713 | S | S | * | * | | | trans | -59.4 | 119.6 | 179.9 | 21.6 | -29.7 | 0 | 0 | 0 | 107.6 | E25 R29 | E25-P27 WeakPolarHBondContact O-CD 3.45Å; P27-R29 PolarHBondContact O-N 3.42Å |
| 28 | K | 47 | Very low | 47.1 | Very low | 208 Ų | 208 | 133.4 Ų | 133.4 | 90% | 0.904 | 72% | 0.716 | S | S | * | * | | | trans | -42.4 | 103.1 | 174.3 | -80.9 | 175.4 | 179.1 | 167.7 | 0 | 108.4 | T26 A30 | T26-K28 PolarHBondContact O-N 3.28Å; K28-A30 PolarHBondContact O-N 3.5Å |
| 29 | R | 44.3 | Very low | 46.7 | Very low | 189 Ų | 189 | 135.5 Ų | 135.5 | 71% | 0.713 | 71% | 0.713 | S | S | * | * | | | trans | -60.7 | 105.2 | 178.1 | -169.2 | 176.9 | -167 | 168.1 | 7 | 106.3 | P27 N31 | P27-R29 PolarHBondContact O-N 3.42Å; R29-N31 PolarHBondContact O-N 3.25Å |
| 30 | A | 47.9 | Very low | 46.9 | Very low | 87 Ų | 87 | 134.8 Ų | 134.8 | 72% | 0.719 | 71% | 0.713 | S | S | * | * | | | trans | -46.5 | 136.2 | 171 | 0 | 0 | 0 | 0 | 0 | 109 | K28 R32 | K28-A30 PolarHBondContact O-N 3.5Å; A30-R32 PolarHBondContact O-N 3.3Å; A30-R32 VanDerWaalsContact O-N 3.1Å |
| 31 | N | 50.7 | Low | 47.3 | Very low | 164 Ų | 164 | 134.7 Ų | 134.7 | 88% | 0.877 | 71% | 0.713 | S | S | * | * | | | trans | -29.5 | 112.1 | -179.6 | -73.4 | -52.4 | 0 | 0 | 0 | 112.8 | R29 | R29-N31 PolarHBondContact O-N 3.25Š|
| 32 | R | 46.3 | Very low | 47.2 | Very low | 123 Ų | 123 | 135 Ų | 135 | 46% | 0.464 | 72% | 0.715 | S | S | . | * | | | trans | -66.5 | 123.3 | 172.5 | -164.4 | -178.5 | -145.3 | 169.6 | 0.8 | 107.7 | A30 | A30-R32 PolarHBondContact O-N 3.3Å; A30-R32 VanDerWaalsContact O-N 3.1Å |
| 33 | P | 53.6 | Low | 47.2 | Very low | 81 Ų | 81 | 134.1 Ų | 134.1 | 53% | 0.526 | 72% | 0.716 | S | S | . | * | | | trans | -60.8 | 145.4 | 176.1 | 23.1 | -30.9 | 0 | 0 | 0 | 110.1 | D35 | P33-D35 PolarHBondContact O-N 2.97Š|
| 34 | P | 59.9 | Low | 46.7 | Very low | 111 Ų | 111 | 133.5 Ų | 133.5 | 72% | 0.721 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -63.5 | -9.7 | -169.5 | 22 | -32.1 | 0 | 0 | 0 | 115.1 | L36 | P34-L36 VanDerWaalsContact C-N 3.35Å; P34-L36 PolarHBondContact O-N 3.43Å |
| 35 | D | 56.5 | Low | 46.5 | Very low | 153 Ų | 153 | 135.7 Ų | 135.7 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -86.5 | 3.6 | -171.9 | -154 | 19.6 | 0 | 0 | 0 | 114.9 | P33 | P33-D35 PolarHBondContact O-N 2.97Š|
| 36 | L | 51.7 | Low | 46 | Very low | 90 Ų | 90 | 139 Ų | 139 | 47% | 0.471 | 72% | 0.721 | S | S | . | * | G | 310 helix | trans | -126.1 | 22.5 | -177.7 | -73 | 170.7 | 0 | 0 | 0 | 113.9 | P34 G38 F39 | P34-L36 VanDerWaalsContact C-N 3.35Å; P34-L36 PolarHBondContact O-N 3.43Å; L36-G38 PolarHBondContact O-N 2.89Å; L36-F39 HydrophobicContact CD2-CD2 4.46Å |
| 37 | Q | 54 | Low | 45.6 | Very low | 155 Ų | 155 | 144.2 Ų | 144.2 | 72% | 0.724 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -8.7 | 177.1 | -63.3 | -168.6 | 25.4 | 0 | 0 | 114 | | |
| 38 | G | 42 | Very low | 45.1 | Very low | 73 Ų | 73 | 144.3 Ų | 144.3 | 75% | 0.753 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -12.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | L36 | L36-G38 PolarHBondContact O-N 2.89Š|
| 39 | F | 39.7 | Very low | 44.3 | Very low | 162 Ų | 162 | 139.4 Ų | 139.4 | 71% | 0.711 | 73% | 0.726 | S | S | * | * | | | trans | -104.2 | 89.8 | 179.5 | -71.7 | -80.6 | 0 | 0 | 0 | 110.2 | L36 I41 | L36-F39 HydrophobicContact CD2-CD2 4.46Å; F39-I41 PolarHBondContact O-N 3.39Å |
| 40 | S | 45.6 | Very low | 43.5 | Very low | 108 Ų | 108 | 136.8 Ų | 136.8 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | | | trans | -74.5 | 104.1 | 164.8 | -63.3 | 0 | 0 | 0 | 0 | 107.8 | L42 | S40-L42 PolarHBondContact O-N 3Š|
| 41 | I | 49.2 | Very low | 42.9 | Very low | 146 Ų | 146 | 137.8 Ų | 137.8 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | | | trans | -63.8 | 118.1 | 157.7 | -72.2 | 165 | 0 | 0 | 0 | 104.6 | F39 D43 | F39-I41 PolarHBondContact O-N 3.39Å; I41-D43 PolarHBondContact O-N 3.24Å |
| 42 | L | 43.8 | Very low | 42.5 | Very low | 139 Ų | 139 | 136.6 Ų | 136.6 | 73% | 0.728 | 73% | 0.731 | S | S | * | * | | | trans | -56.6 | 108.7 | 172.3 | -125 | 74.9 | 0 | 0 | 0 | 107.4 | S40 E44 | S40-L42 PolarHBondContact O-N 3Å; L42-E44 VanDerWaalsContact C-N 3.28Å; L42-E44 PolarHBondContact O-N 3.1Å |
| 43 | D | 43.6 | Very low | 41.9 | Very low | 153 Ų | 153 | 138.5 Ų | 138.5 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | | | trans | -67.9 | 92.7 | 163.4 | -81.8 | -56.1 | 0 | 0 | 0 | 107.2 | I41 K45 | I41-D43 PolarHBondContact O-N 3.24Å; D43-K45 PolarHBondContact O-N 3.27Å |
| 44 | E | 35 | Very low | 41.1 | Very low | 154 Ų | 154 | 139.6 Ų | 139.6 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | | | trans | -69.5 | 87.3 | 168.9 | -80.5 | -172.8 | 160 | 0 | 0 | 109.4 | L42 W46 | L42-E44 VanDerWaalsContact C-N 3.28Å; L42-E44 PolarHBondContact O-N 3.1Å; E44-W46 PolarHBondContact O-N 3.38Å |
| 45 | K | 35.5 | Very low | 39.9 | Very low | 172 Ų | 172 | 142.2 Ų | 142.2 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | | | trans | -68.2 | 100.7 | 166.5 | -170.4 | 171.2 | -176.7 | 176 | 0 | 108.7 | D43 R47 | D43-K45 PolarHBondContact O-N 3.27Å; K45-R47 HydrophobicContact CG-CG 4.25Å; K45-R47 PolarHBondContact O-N 2.94Å |
| 46 | W | 33 | Very low | 39.2 | Very low | 245 Ų | 245 | 141.9 Ų | 141.9 | 93% | 0.928 | 77% | 0.766 | S | S | * | * | | | trans | -59.1 | 95.7 | 167.4 | -77.7 | 90.2 | 0 | 0 | 0 | 109.8 | E44 | E44-W46 PolarHBondContact O-N 3.38Š|
| 47 | R | 36.3 | Very low | 38.5 | Very low | 201 Ų | 201 | 142.6 Ų | 142.6 | 76% | 0.758 | 78% | 0.779 | S | S | * | * | | | trans | -93.8 | 105.8 | 168.6 | -77.5 | -174.4 | 75.4 | 173.7 | 1.3 | 109 | K45 S49 | K45-R47 HydrophobicContact CG-CG 4.25Å; K45-R47 PolarHBondContact O-N 2.94Å; R47-S49 PolarHBondContact O-N 3.3Å |
| 48 | S | 31.2 | Very low | 37.8 | Very low | 117 Ų | 117 | 143.2 Ų | 143.2 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -51.6 | 124.2 | 155 | -62.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 49 | S | 31.3 | Very low | 38 | Very low | 104 Ų | 104 | 145.5 Ų | 145.5 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | trans | -123.3 | 99.9 | 159.8 | -70.6 | 0 | 0 | 0 | 0 | 107.3 | R47 | R47-S49 PolarHBondContact O-N 3.3Š|
| 50 | C | 27.5 | Very low | 37.7 | Very low | 134 Ų | 134 | 144.9 Ų | 144.9 | 91% | 0.905 | 80% | 0.796 | S | S | * | * | | | trans | -77.1 | 112.4 | 156.9 | -59.7 | 0 | 0 | 0 | 0 | 105.9 | | |
| 51 | S | 34.5 | Very low | 37.1 | Very low | 108 Ų | 108 | 142.9 Ų | 142.9 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | | | trans | -105.8 | 120.9 | 159.1 | -161 | 0 | 0 | 0 | 0 | 106.8 | | |
| 52 | D | 42.5 | Very low | 36.2 | Very low | 140 Ų | 140 | 141.4 Ų | 141.4 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | | | trans | -42.1 | 136.7 | 152.9 | -93 | -46.9 | 0 | 0 | 0 | 110.5 | | |
| 53 | D | 33.7 | Very low | 35.8 | Very low | 162 Ų | 162 | 145.1 Ų | 145.1 | 87% | 0.866 | 80% | 0.802 | S | S | * | * | | | trans | -154.7 | 105 | 138.5 | -96.9 | -42.9 | 0 | 0 | 0 | 108 | | |
| 54 | S | 37.4 | Very low | 35.2 | Very low | 104 Ų | 104 | 144.9 Ų | 144.9 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | | | trans | -87.3 | 119.3 | 156.2 | -57.1 | 0 | 0 | 0 | 0 | 106.2 | | |
| 55 | D | 34.9 | Very low | 35 | Very low | 167 Ų | 167 | 142 Ų | 142 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | | | trans | -165.4 | 153 | 133.8 | -121.9 | -33.5 | 0 | 0 | 0 | 114.3 | | |
| 56 | D | 41.1 | Very low | 35.1 | Very low | 145 Ų | 145 | 140 Ų | 140 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | | | trans | -81.3 | 170.2 | -161.5 | -138.8 | -44.1 | 0 | 0 | 0 | 114.2 | | |
| 57 | S | 37 | Very low | 35 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | | | trans | 96.4 | 108 | 157.8 | -45.2 | 0 | 0 | 0 | 0 | 119.9 | | |
| 58 | L | 38.9 | Very low | 35.1 | Very low | 168 Ų | 168 | 132.4 Ų | 132.4 | 88% | 0.88 | 80% | 0.8 | S | S | * | * | | | trans | -71.7 | 161.4 | 152.3 | -57.3 | 171.7 | 0 | 0 | 0 | 109.9 | | |
| 59 | P | 46.5 | Very low | 35.3 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | | | | -151.6 | 150.2 | 79.5 | 35 | -13.2 | 0 | 0 | 0 | 118.1 | | |
| 60 | V | 34.4 | Very low | 35.9 | Very low | 148 Ų | 148 | 137 Ų | 137 | 90% | 0.897 | 80% | 0.804 | S | S | * | * | | | trans | 30.4 | 116.2 | 136.2 | -173.5 | 0 | 0 | 0 | 0 | 120.3 | | |
| 61 | G | 32.1 | Very low | 36.2 | Very low | 66 Ų | 66 | 138.5 Ų | 138.5 | 68% | 0.68 | 80% | 0.802 | S | S | * | * | | | | 114.9 | 134.4 | 126.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 62 | S | 31 | Very low | 36.1 | Very low | 116 Ų | 116 | 144.2 Ų | 144.2 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | | | trans | 106.5 | 104.1 | 152.3 | 77 | 0 | 0 | 0 | 0 | 121 | | |
| 63 | Y | 34 | Very low | 35.5 | Very low | 217 Ų | 217 | 147.1 Ų | 147.1 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | | | trans | 27.1 | 127.8 | 130.4 | -75.5 | -83.2 | 0 | 0 | 0 | 124.1 | | |
| 64 | I | 30.8 | Very low | 35.3 | Very low | 147 Ų | 147 | 145.3 Ų | 145.3 | 75% | 0.754 | 81% | 0.812 | S | S | * | * | | | trans | 98.1 | 126.7 | 134.3 | -64.3 | 162.8 | 0 | 0 | 0 | 121.1 | | |
| 65 | S | 30.5 | Very low | 35.1 | Very low | 94 Ų | 94 | 148.9 Ų | 148.9 | 66% | 0.657 | 81% | 0.814 | S | S | * | * | | | trans | 86.2 | 115.5 | 147 | -88.2 | 0 | 0 | 0 | 0 | 123.5 | | |
| 66 | T | 38 | Very low | 35 | Very low | 131 Ų | 131 | 146.4 Ų | 146.4 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | | | | 39.4 | 109.2 | 129.1 | 64.8 | 0 | 0 | 0 | 0 | 119.5 | | |
| 67 | A | 32.3 | Very low | 34.6 | Very low | 106 Ų | 106 | 145.5 Ų | 145.5 | 88% | 0.876 | 81% | 0.81 | S | S | * | * | | | trans | -169.1 | 145.2 | 132.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 68 | E | 37.1 | Very low | 34.4 | Very low | 180 Ų | 180 | 147.8 Ų | 147.8 | 84% | 0.841 | 81% | 0.814 | S | S | * | * | | | trans | -64.1 | 134.7 | -179.6 | -57.8 | 165.7 | 145.8 | 0 | 0 | 113 | | |
| 69 | K | 36.3 | Very low | 33.9 | Very low | 198 Ų | 198 | 148.9 Ų | 148.9 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | | | trans | 172.5 | 154.2 | 131.2 | -92.7 | 158.3 | -169.7 | 176.7 | 0 | 111.7 | | |
| 70 | P | 44.2 | Very low | 33.5 | Very low | 119 Ų | 119 | 154.4 Ų | 154.4 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | | | trans | -93 | 125.5 | -160 | 34.4 | -28.7 | 0 | 0 | 0 | 111.3 | | |
| 71 | L | 32.1 | Very low | 33.4 | Very low | 165 Ų | 165 | 153.3 Ų | 153.3 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | | | trans | -136.6 | 114.7 | 167.4 | -127.7 | 78.6 | 0 | 0 | 0 | 111.1 | | |
| 72 | R | 33.8 | Very low | 33.4 | Very low | 228 Ų | 228 | 158.2 Ų | 158.2 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | | | trans | 33.3 | 110.4 | 148.4 | -58.6 | -159.3 | -176.6 | -171.5 | 3.9 | 118 | C74 | R72-C74 PolarHBondContact O-N 3.43Å; R72-C74 VanDerWaalsContact O-N 3.16Å |
| 73 | F | 30 | Very low | 33.3 | Very low | 201 Ų | 201 | 163 Ų | 163 | 88% | 0.882 | 82% | 0.823 | S | S | * | * | | | trans | -62 | 107.4 | 158.9 | -98.7 | -95.9 | 0 | 0 | 0 | 110.7 | | |
| 74 | C | 29.9 | Very low | 33.1 | Very low | 124 Ų | 124 | 162.4 Ų | 162.4 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | | | trans | -97.5 | 110.5 | 154.5 | -71.5 | 0 | 0 | 0 | 0 | 107.6 | R72 | R72-C74 PolarHBondContact O-N 3.43Å; R72-C74 VanDerWaalsContact O-N 3.16Å |
| 75 | K | 32.5 | Very low | 33 | Very low | 179 Ų | 179 | 164.4 Ų | 164.4 | 78% | 0.778 | 83% | 0.825 | S | S | * | * | | | trans | -87.2 | 133 | 163.8 | -70.8 | 175.6 | 175.3 | 175 | 0 | 107 | | |
| 76 | S | 32.6 | Very low | 33.1 | Very low | 116 Ų | 116 | 164.1 Ų | 164.1 | 81% | 0.811 | 83% | 0.829 | S | S | * | * | | | trans | -160.1 | 123.9 | 134.7 | -92.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 77 | V | 33.7 | Very low | 33.4 | Very low | 126 Ų | 126 | 163.2 Ų | 163.2 | 76% | 0.764 | 83% | 0.825 | S | S | * | * | | | trans | -91.9 | 118.8 | 167.4 | 170.9 | 0 | 0 | 0 | 0 | 105.1 | F79 | V77-F79 HydrophobicContact CG1-CD2 4.23Å; V77-F79 HydrophobicContact CG1-CE2 4.5Å |
| 78 | D | 31.2 | Very low | 33.3 | Very low | 153 Ų | 153 | 166.4 Ų | 166.4 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | | | trans | -80.4 | 125.1 | 172.6 | -81.9 | -34.9 | 0 | 0 | 0 | 110.6 | | |
| 79 | F | 28.6 | Very low | 33.3 | Very low | 192 Ų | 192 | 165.4 Ų | 165.4 | 84% | 0.842 | 83% | 0.827 | S | S | * | * | | | trans | -119.2 | 109.1 | 155.2 | -99.6 | -86.9 | 0 | 0 | 0 | 108 | V77 | V77-F79 HydrophobicContact CG1-CD2 4.23Å; V77-F79 HydrophobicContact CG1-CE2 4.5Å |
| 80 | R | 38.5 | Very low | 33.3 | Very low | 237 Ų | 237 | 162.8 Ų | 162.8 | 89% | 0.894 | 83% | 0.828 | S | S | * | * | | | trans | -73.1 | 142.7 | 166.9 | -69.3 | -176.7 | -176.9 | -129.6 | 1.5 | 110.3 | | |
| 81 | P | 31.7 | Very low | 32.7 | Very low | 125 Ų | 125 | 160.3 Ų | 160.3 | 81% | 0.812 | 82% | 0.824 | S | S | * | * | | | trans | -107.4 | 128 | 148.5 | -4.2 | 24.4 | 0 | 0 | 0 | 111.6 | | |
| 82 | L | 32.9 | Very low | 32.7 | Very low | 169 Ų | 169 | 160.9 Ų | 160.9 | 89% | 0.885 | 83% | 0.828 | S | S | * | * | | | trans | -66.6 | 131.6 | 165.2 | -83.6 | 107.4 | 0 | 0 | 0 | 111.9 | | |
| 83 | R | 29.4 | Very low | 32.6 | Very low | 215 Ų | 215 | 155.9 Ų | 155.9 | 81% | 0.811 | 83% | 0.828 | S | S | * | * | | | trans | 165.8 | 146.6 | 137.4 | -109.7 | 179.5 | 162.7 | 119.7 | -2.4 | 108.8 | | |
| 84 | R | 29.4 | Very low | 32.5 | Very low | 205 Ų | 205 | 152.4 Ų | 152.4 | 77% | 0.774 | 83% | 0.827 | S | S | * | * | | | cis | -164.9 | 122.2 | 22.1 | -161.8 | 176 | -77.7 | 132.2 | -6.3 | 105.8 | | |
| 85 | E | 28.1 | Very low | 32.7 | Very low | 189 Ų | 189 | 151.5 Ų | 151.5 | 88% | 0.883 | 82% | 0.822 | S | S | * | * | | | trans | -84.8 | 138 | 173.1 | -75.6 | -66.1 | 146.1 | 0 | 0 | 110.9 | | |
| 86 | A | 32.3 | Very low | 32.7 | Very low | 89 Ų | 89 | 149.3 Ų | 149.3 | 74% | 0.736 | 82% | 0.824 | S | S | * | * | | | trans | 166.3 | 157.8 | 143.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 87 | P | 44.4 | Very low | 32.8 | Very low | 112 Ų | 112 | 151.6 Ų | 151.6 | 73% | 0.727 | 83% | 0.826 | S | S | * | * | | | cis | -128.2 | 157.7 | -22 | 33.4 | -16.4 | 0 | 0 | 0 | 111.9 | | |
| 88 | N | 31.4 | Very low | 33.2 | Very low | 172 Ų | 172 | 150.7 Ų | 150.7 | 92% | 0.92 | 82% | 0.823 | S | S | * | * | | | trans | -128.8 | 132.8 | 158 | -104.8 | -49.1 | 0 | 0 | 0 | 111.2 | | |
| 89 | L | 35.8 | Very low | 33.3 | Very low | 159 Ų | 159 | 149 Ų | 149 | 83% | 0.832 | 82% | 0.823 | S | S | * | * | | | trans | -89.6 | 122.8 | -174 | -71.1 | 159.4 | 0 | 0 | 0 | 109.7 | | |
| 90 | T | 36.1 | Very low | 33.6 | Very low | 144 Ų | 144 | 145.6 Ų | 145.6 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | | | trans | -174.6 | 110.7 | 150.3 | 36 | 0 | 0 | 0 | 0 | 103.7 | | |
| 91 | G | 33 | Very low | 33.9 | Very low | 67 Ų | 67 | 140.7 Ų | 140.7 | 69% | 0.691 | 82% | 0.817 | S | S | * | * | | | cis | 97.7 | 83.6 | 46.5 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 92 | D | 30.4 | Very low | 34 | Very low | 177 Ų | 177 | 139.9 Ų | 139.9 | 95% | 0.947 | 81% | 0.81 | S | S | * | * | | | trans | -161.2 | 131.4 | 150.2 | -91.5 | -29.5 | 0 | 0 | 0 | 110.5 | | |
| 93 | S | 32.7 | Very low | 34.2 | Very low | 122 Ų | 122 | 140.7 Ų | 140.7 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | | | trans | -89.2 | 141.7 | -173.1 | -68.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 94 | C | 28.8 | Very low | 34.4 | Very low | 129 Ų | 129 | 138.6 Ų | 138.6 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | | | trans | -158.1 | 123.5 | 134 | -163 | 0 | 0 | 0 | 0 | 110.9 | | |
| 95 | S | 32.5 | Very low | 34.7 | Very low | 105 Ų | 105 | 137.4 Ų | 137.4 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | | | trans | -67.4 | 149 | 174.2 | -45.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 96 | T | 32.4 | Very low | 35.1 | Very low | 133 Ų | 133 | 135.9 Ų | 135.9 | 82% | 0.816 | 80% | 0.803 | S | S | * | * | | | | 174.6 | 114.9 | 128.1 | -67.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 97 | L | 36.4 | Very low | 36.7 | Very low | 163 Ų | 163 | 136.9 Ų | 136.9 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | | | trans | -90.9 | 156.7 | 154.2 | -72.6 | 172.7 | 0 | 0 | 0 | 107.9 | | |
| 98 | P | 41.8 | Very low | 37.2 | Very low | 108 Ų | 108 | 136.5 Ų | 136.5 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | | | | -148.5 | 147.6 | 96.4 | 29.2 | -7.7 | 0 | 0 | 0 | 117.2 | | |
| 99 | S | 31.6 | Very low | 37.4 | Very low | 116 Ų | 116 | 135.9 Ų | 135.9 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | | | trans | 73.3 | 120.9 | 130.8 | -53.9 | 0 | 0 | 0 | 0 | 123.3 | | |
| 100 | T | 35.1 | Very low | 38.6 | Very low | 122 Ų | 122 | 133 Ų | 133 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | | | trans | -71.3 | 172.9 | 154.7 | 52.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 101 | P | 45.8 | Very low | 38.7 | Very low | 133 Ų | 133 | 132 Ų | 132 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | | | trans | -132.3 | 163.3 | 132.2 | 29.5 | -13.5 | 0 | 0 | 0 | 115.5 | | |
| 102 | V | 33.6 | Very low | 38.8 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 66% | 0.661 | 79% | 0.788 | S | S | * | * | | | trans | -108.1 | 148.1 | -158.8 | 165.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 103 | H | 38.2 | Very low | 39 | Very low | 185 Ų | 185 | 133.3 Ų | 133.3 | 86% | 0.856 | 78% | 0.776 | S | S | * | * | | | trans | -136.5 | 110.5 | 146.6 | -89.5 | -0.8 | 0 | 0 | 0 | 108.5 | | |
| 104 | K | 33.7 | Very low | 39.2 | Very low | 172 Ų | 172 | 133.3 Ų | 133.3 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | | 53.6 | 132.9 | 79.2 | -101.1 | 178.6 | 178.7 | 167.2 | 0 | 112.6 | | |
| 105 | K | 34.9 | Very low | 39.4 | Very low | 179 Ų | 179 | 130.7 Ų | 130.7 | 78% | 0.778 | 77% | 0.771 | S | S | * | * | | | cis | -174.9 | 124.5 | 12 | -158.7 | 177.8 | -176.5 | -172.6 | 0 | 109.4 | | |
| 106 | N | 35.8 | Very low | 39.3 | Very low | 157 Ų | 157 | 129.7 Ų | 129.7 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | | | trans | 28.4 | 157.9 | 148 | -70.2 | -9.8 | 0 | 0 | 0 | 127.4 | | |
| 107 | P | 65.8 | Low | 39.5 | Very low | 110 Ų | 110 | 129.3 Ų | 129.3 | 71% | 0.714 | 78% | 0.78 | S | S | * | * | | | trans | -100.4 | -167.1 | -169.5 | 47 | -36.1 | 0 | 0 | 0 | 112.8 | | |
| 108 | P | 56.3 | Low | 39.5 | Very low | 105 Ų | 105 | 133 Ų | 133 | 68% | 0.682 | 78% | 0.783 | S | S | * | * | | | | -159.9 | 177.9 | 57.1 | 43.5 | -19.1 | 0 | 0 | 0 | 121 | | |
| 109 | L | 35.8 | Very low | 39 | Very low | 159 Ų | 159 | 138 Ų | 138 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | | | trans | 82.8 | 164.3 | 137.9 | -91.8 | 153.8 | 0 | 0 | 0 | 122.2 | | |
| 110 | P | 60 | Low | 39.3 | Very low | 97 Ų | 97 | 141.9 Ų | 141.9 | 63% | 0.63 | 80% | 0.796 | S | S | * | * | | | | -121.2 | -174.6 | -112.5 | 45.6 | -30.4 | 0 | 0 | 0 | 115.4 | | |
| 111 | T | 38.2 | Very low | 39.3 | Very low | 124 Ų | 124 | 145.1 Ų | 145.1 | 76% | 0.761 | 80% | 0.803 | S | S | * | * | | | trans | 168.9 | 132.2 | 132.6 | 46.3 | 0 | 0 | 0 | 0 | 114.9 | | |
| 112 | M | 35.6 | Very low | 38.7 | Very low | 170 Ų | 170 | 144 Ų | 144 | 84% | 0.837 | 80% | 0.799 | S | S | * | * | | | trans | 52.1 | 153 | 131 | -55.9 | -73.6 | 84.1 | 0 | 0 | 120.4 | | |
| 113 | S | 34.8 | Very low | 38.7 | Very low | 101 Ų | 101 | 148.2 Ų | 148.2 | 71% | 0.706 | 81% | 0.811 | S | S | * | * | | | cis | 179.2 | 165.5 | -5.3 | 171.6 | 0 | 0 | 0 | 0 | 106.8 | | |
| 114 | S | 37.2 | Very low | 38.7 | Very low | 122 Ų | 122 | 144.5 Ų | 144.5 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | | | trans | 78.3 | 139.6 | 166.8 | 82.2 | 0 | 0 | 0 | 0 | 117.2 | | |
| 115 | G | 31.6 | Very low | 39.4 | Very low | 75 Ų | 75 | 142 Ų | 142 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | | | cis | -169.5 | 152.1 | 4.3 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 116 | G | 31.7 | Very low | 39.7 | Very low | 84 Ų | 84 | 140.8 Ų | 140.8 | 87% | 0.866 | 81% | 0.807 | S | S | * | * | | | trans | -84.1 | -179.8 | -159.3 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 117 | S | 35.4 | Very low | 39.7 | Very low | 125 Ų | 125 | 140.4 Ų | 140.4 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | | | trans | -152.6 | 135.1 | 147.5 | -161.6 | 0 | 0 | 0 | 0 | 110 | | |
| 118 | R | 36.7 | Very low | 38.3 | Very low | 240 Ų | 240 | 143.4 Ų | 143.4 | 91% | 0.906 | 81% | 0.812 | S | S | * | * | | | trans | -69.5 | 135.7 | -179.5 | -72 | 171.7 | -134.3 | -172.8 | 0.6 | 110.2 | | |
| 119 | F | 32.2 | Very low | 37.5 | Very low | 212 Ų | 212 | 145.5 Ų | 145.5 | 93% | 0.93 | 82% | 0.817 | S | S | * | * | | | trans | -145.7 | 130.1 | 142.9 | -126.3 | -93.1 | 0 | 0 | 0 | 109.8 | | |
| 120 | K | 37 | Very low | 37.8 | Very low | 198 Ų | 198 | 145.2 Ų | 145.2 | 86% | 0.861 | 82% | 0.815 | S | S | * | * | | | trans | -74.3 | 132.2 | 178.2 | -72.3 | -179.6 | 170.2 | -176.9 | 0 | 109.4 | | |
| 121 | Q | 34.9 | Very low | 36.8 | Very low | 190 Ų | 190 | 146 Ų | 146 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | | | trans | -154.6 | 135.2 | 137 | -129.4 | 163.7 | -4.5 | 0 | 0 | 110.7 | | |
| 122 | S | 32.8 | Very low | 36.8 | Very low | 111 Ų | 111 | 148.7 Ų | 148.7 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | | | trans | -73.2 | 126.1 | -175.2 | 46.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 123 | E | 33.8 | Very low | 36.9 | Very low | 196 Ų | 196 | 152.3 Ų | 152.3 | 92% | 0.916 | 83% | 0.825 | S | S | * | * | | | trans | -105.2 | 130.8 | 164.2 | -74.7 | -176.8 | 153.8 | 0 | 0 | 109.9 | | |
| 124 | S | 37.7 | Very low | 37 | Very low | 108 Ų | 108 | 155.8 Ų | 155.8 | 76% | 0.755 | 83% | 0.83 | S | S | * | * | | | trans | -109.4 | 127.8 | 170.8 | -43.7 | 0 | 0 | 0 | 0 | 107.9 | | |
| 125 | P | 49.2 | Very low | 37.1 | Very low | 118 Ų | 118 | 158.9 Ų | 158.9 | 77% | 0.766 | 83% | 0.834 | S | S | * | * | | | trans | -89 | 123.3 | 171.7 | 31 | -27.5 | 0 | 0 | 0 | 110.7 | | |
| 126 | I | 40.9 | Very low | 37.2 | Very low | 154 Ų | 154 | 163.7 Ų | 163.7 | 79% | 0.79 | 83% | 0.833 | S | S | * | * | | | trans | -86.1 | 107.2 | 167 | -65.6 | 177.6 | 0 | 0 | 0 | 108 | M128 | I126-M128 HydrophobicContact CG2-CG 4.32Š|
| 127 | N | 36.2 | Very low | 37.2 | Very low | 150 Ų | 150 | 165.5 Ų | 165.5 | 80% | 0.802 | 83% | 0.831 | S | S | * | * | | | trans | -77.6 | 113.3 | 162.4 | -78.6 | -21.2 | 0 | 0 | 0 | 108.8 | | |
| 128 | M | 35.6 | Very low | 37 | Very low | 173 Ų | 173 | 166.7 Ų | 166.7 | 85% | 0.852 | 83% | 0.828 | S | S | * | * | | | trans | -90.9 | 104.9 | 163.6 | -85.1 | -156.7 | -61.9 | 0 | 0 | 109.7 | I126 | I126-M128 HydrophobicContact CG2-CG 4.32Š|
| 129 | L | 40 | Very low | 37.2 | Very low | 148 Ų | 148 | 163.4 Ų | 163.4 | 78% | 0.775 | 83% | 0.825 | S | S | * | * | | | trans | -77.3 | 114.8 | 170.1 | -149.3 | 83.1 | 0 | 0 | 0 | 108.4 | T131 | L129-T131 HydrophobicContact CD2-CG2 4.06Å; L129-T131 PolarHBondContact O-N 3.31Å |
| 130 | I | 42.2 | Very low | 37.4 | Very low | 154 Ų | 154 | 163 Ų | 163 | 79% | 0.79 | 82% | 0.823 | S | S | * | * | | | trans | -78.2 | 105.8 | 169.2 | -63.6 | 171.4 | 0 | 0 | 0 | 107.2 | | |
| 131 | T | 38.3 | Very low | 37.2 | Very low | 112 Ų | 112 | 158.9 Ų | 158.9 | 69% | 0.687 | 82% | 0.819 | S | S | * | * | | | trans | -98.3 | 112.5 | 168.5 | 41.6 | 0 | 0 | 0 | 0 | 109.8 | L129 R133 | L129-T131 HydrophobicContact CD2-CG2 4.06Å; L129-T131 PolarHBondContact O-N 3.31Å; T131-R133 PolarHBondContact O-N 3.42Å |
| 132 | H | 39.7 | Very low | 37.4 | Very low | 182 Ų | 182 | 157.8 Ų | 157.8 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | | | trans | -59.6 | 125.5 | 162 | -85.4 | -104.5 | 0 | 0 | 0 | 108.9 | | |
| 133 | R | 37.4 | Very low | 38.1 | Very low | 245 Ų | 245 | 158 Ų | 158 | 93% | 0.925 | 81% | 0.812 | S | S | * | * | | | trans | -112.3 | 106.7 | 166.6 | -153.9 | 176.5 | -173 | 166.4 | 2 | 108.8 | T131 | T131-R133 PolarHBondContact O-N 3.42Š|
| 134 | E | 37.4 | Very low | 38 | Very low | 174 Ų | 174 | 153.4 Ų | 153.4 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | | | trans | -56.1 | 130.6 | 171.3 | -65.6 | 177.3 | 136.4 | 0 | 0 | 110.8 | | |
| 135 | M | 38.8 | Very low | 38.1 | Very low | 188 Ų | 188 | 155.5 Ų | 155.5 | 93% | 0.926 | 80% | 0.804 | S | S | * | * | | | trans | -85.2 | 107.4 | 161.7 | -81.2 | 174.2 | 162.2 | 0 | 0 | 107.7 | | |
| 136 | K | 33.6 | Very low | 37.4 | Very low | 175 Ų | 175 | 159.8 Ų | 159.8 | 76% | 0.761 | 81% | 0.811 | S | S | * | * | | | trans | -95.4 | 113.4 | 175.9 | -158.8 | 157.2 | 177.6 | 174.2 | 0 | 108.6 | | |
| 137 | C | 31.1 | Very low | 37.4 | Very low | 122 Ų | 122 | 158.4 Ų | 158.4 | 82% | 0.824 | 81% | 0.809 | S | S | * | * | | | trans | -76.6 | 119.7 | 168.2 | -61.2 | 0 | 0 | 0 | 0 | 108.5 | | |
| 138 | D | 31.7 | Very low | 37.3 | Very low | 150 Ų | 150 | 157.5 Ų | 157.5 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | | | trans | -100.6 | 118.7 | 168.4 | -93.4 | -53 | 0 | 0 | 0 | 110.2 | | |
| 139 | M | 40.5 | Very low | 37.7 | Very low | 171 Ų | 171 | 154.8 Ų | 154.8 | 84% | 0.842 | 80% | 0.804 | S | S | * | * | | | trans | -112.3 | 120.9 | 168.5 | -99.4 | -78.6 | 118.2 | 0 | 0 | 107.7 | | |
| 140 | K | 35.8 | Very low | 37.9 | Very low | 205 Ų | 205 | 154.1 Ų | 154.1 | 89% | 0.891 | 81% | 0.806 | S | S | * | * | | | trans | 153.1 | 139.9 | 157.8 | -90.2 | 158.5 | -179.6 | 178.7 | 0 | 107.5 | | |
| 141 | S | 34.2 | Very low | 37.6 | Very low | 111 Ų | 111 | 154.5 Ų | 154.5 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | | | cis | -171.3 | 149.5 | 11.7 | 40.3 | 0 | 0 | 0 | 0 | 107.5 | | |
| 142 | E | 39.6 | Very low | 37.9 | Very low | 167 Ų | 167 | 155.2 Ų | 155.2 | 78% | 0.78 | 81% | 0.809 | S | S | * | * | | | trans | -57 | 161.7 | 169.1 | -128.2 | -166 | 153.6 | 0 | 0 | 112.7 | | |
| 143 | P | 47 | Very low | 38 | Very low | 114 Ų | 114 | 156.9 Ų | 156.9 | 74% | 0.74 | 81% | 0.808 | S | S | * | * | | | | -153.7 | 157.2 | 84.6 | 39 | -18.7 | 0 | 0 | 0 | 118.8 | | |
| 144 | S | 31.8 | Very low | 38 | Very low | 101 Ų | 101 | 152.1 Ų | 152.1 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | | | trans | 83.8 | 92.6 | 139.5 | -65.7 | 0 | 0 | 0 | 0 | 121.6 | | |
| 145 | L | 38.4 | Very low | 38.4 | Very low | 151 Ų | 151 | 149.6 Ų | 149.6 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | | | trans | 5.7 | 118.8 | 130.9 | -71.9 | 163 | 0 | 0 | 0 | 118.4 | | |
| 146 | K | 36.3 | Very low | 38.5 | Very low | 208 Ų | 208 | 151 Ų | 151 | 90% | 0.904 | 80% | 0.796 | S | S | * | * | | | trans | -135.4 | 122 | 136.1 | -71.6 | -169.8 | -178.7 | -179.1 | 0 | 110.1 | | |
| 147 | V | 41 | Very low | 38.7 | Very low | 125 Ų | 125 | 152.2 Ų | 152.2 | 76% | 0.758 | 80% | 0.801 | S | S | * | * | | | trans | -72.9 | 154.1 | 173.4 | 174.7 | 0 | 0 | 0 | 0 | 110 | | |
| 148 | V | 32.2 | Very low | 39.1 | Very low | 131 Ų | 131 | 152 Ų | 152 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | | | trans | 143.4 | 142.7 | 152.7 | 168.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 149 | P | 45.8 | Very low | 40 | Very low | 117 Ų | 117 | 149.5 Ų | 149.5 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | | | | -117.2 | 178.7 | -94.8 | 22.1 | 5.1 | 0 | 0 | 0 | 113.5 | | |
| 150 | V | 43.9 | Very low | 39.8 | Very low | 134 Ų | 134 | 149.2 Ų | 149.2 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | | | trans | -50 | 128.8 | 174.2 | 173.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 151 | E | 34.4 | Very low | 39.9 | Very low | 161 Ų | 161 | 142.9 Ų | 142.9 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | | | trans | -137.6 | 110.3 | 156 | -150.2 | 179.5 | -171.3 | 0 | 0 | 109.7 | | |
| 152 | T | 46.3 | Very low | 40.2 | Very low | 128 Ų | 128 | 146.9 Ų | 146.9 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | | | trans | -68.8 | 120.4 | 175.9 | -18.3 | 0 | 0 | 0 | 0 | 109 | | |
| 153 | R | 40.5 | Very low | 40.2 | Very low | 216 Ų | 216 | 148.5 Ų | 148.5 | 82% | 0.815 | 80% | 0.799 | S | S | * | * | | | trans | -119 | 108.7 | 169.3 | -87.2 | -173.1 | 154.5 | 138.8 | -0.2 | 110.8 | | |
| 154 | D | 38.7 | Very low | 39.6 | Very low | 146 Ų | 146 | 147.2 Ų | 147.2 | 78% | 0.781 | 80% | 0.797 | S | S | * | * | | | trans | -62.6 | 139.5 | 164.9 | -84.8 | -44.8 | 0 | 0 | 0 | 110.9 | Y156 | D154-Y156 VanDerWaalsContact C-N 3.28Å; D154-Y156 PolarHBondContact O-N 2.84Å |
| 155 | P | 45.2 | Very low | 39.7 | Very low | 121 Ų | 121 | 150.5 Ų | 150.5 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -80.7 | 4.4 | -175.5 | -10.3 | 27.3 | 0 | 0 | 0 | 115.4 | | |
| 156 | Y | 41.4 | Very low | 39.5 | Very low | 217 Ų | 217 | 147.8 Ų | 147.8 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -125.7 | 72.7 | -172.8 | -95.2 | -90.3 | 0 | 0 | 0 | 111.3 | D154 | D154-Y156 VanDerWaalsContact C-N 3.28Å; D154-Y156 PolarHBondContact O-N 2.84Å |
| 157 | F | 36.6 | Very low | 39.8 | Very low | 200 Ų | 200 | 147.4 Ų | 147.4 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | | | trans | -172.6 | 124.2 | 146.3 | -127.1 | -103.3 | 0 | 0 | 0 | 109.1 | | |
| 158 | S | 40.9 | Very low | 39.8 | Very low | 118 Ų | 118 | 147.2 Ų | 147.2 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | | | trans | -123.1 | 122.5 | 167.6 | -150.6 | 0 | 0 | 0 | 0 | 108.4 | | |
| 159 | P | 49.9 | Very low | 39.9 | Very low | 97 Ų | 97 | 147.3 Ų | 147.3 | 63% | 0.63 | 81% | 0.806 | S | S | * | * | | | trans | -92.9 | 149.5 | -174.9 | 35.6 | -30.7 | 0 | 0 | 0 | 111.8 | | |
| 160 | N | 35.5 | Very low | 39.2 | Very low | 166 Ų | 166 | 146 Ų | 146 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | | | trans | 90.2 | 122.7 | 164.6 | -60.1 | -7.4 | 0 | 0 | 0 | 117.8 | | |
| 161 | G | 38 | Very low | 38.7 | Very low | 72 Ų | 72 | 144.3 Ų | 144.3 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | | | trans | -106.6 | -173.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 162 | K | 41.5 | Very low | 38.8 | Very low | 195 Ų | 195 | 144.1 Ų | 144.1 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | | | trans | 86.2 | 111.3 | 168.7 | -50.3 | -167.2 | -177.3 | -173.7 | 0 | 115.8 | | |
| 163 | H | 38.3 | Very low | 38.3 | Very low | 201 Ų | 201 | 147.4 Ų | 147.4 | 93% | 0.931 | 81% | 0.81 | S | S | * | * | | | | -164.4 | 148.1 | 121.2 | -87.6 | -64.4 | 0 | 0 | 0 | 109.4 | | |
| 164 | A | 35.1 | Very low | 37.8 | Very low | 86 Ų | 86 | 144 Ų | 144 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | | | trans | -105.8 | 153.3 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 165 | I | 34.6 | Very low | 37.6 | Very low | 171 Ų | 171 | 144.6 Ų | 144.6 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | | | trans | 72.4 | 112.9 | 156.5 | -53 | 162.9 | 0 | 0 | 0 | 118.2 | | |
| 166 | A | 34 | Very low | 37.4 | Very low | 94 Ų | 94 | 146.9 Ų | 146.9 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | | | | -174.2 | 131.9 | 113.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 167 | K | 41.8 | Very low | 37.9 | Very low | 200 Ų | 200 | 142.3 Ų | 142.3 | 87% | 0.87 | 81% | 0.807 | S | S | * | * | | | trans | -75.2 | 149.6 | 163.2 | -122.5 | 172.9 | -176.5 | 175.9 | 0 | 108.4 | | |
| 168 | P | 40.7 | Very low | 37.6 | Very low | 121 Ų | 121 | 137.7 Ų | 137.7 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | | | | -143.1 | 148.5 | 101.9 | 31.4 | -13.5 | 0 | 0 | 0 | 115.6 | | |
| 169 | T | 34.2 | Very low | 37.2 | Very low | 133 Ų | 133 | 137.2 Ų | 137.2 | 82% | 0.816 | 80% | 0.796 | S | S | * | * | | | trans | -11.3 | 129.8 | 151 | -72.5 | 0 | 0 | 0 | 0 | 117.9 | | |
| 170 | A | 32.9 | Very low | 36.3 | Very low | 90 Ų | 90 | 138 Ų | 138 | 74% | 0.744 | 80% | 0.804 | S | S | * | * | | | | 177.2 | 129.1 | 113.7 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 171 | A | 32.1 | Very low | 36.9 | Very low | 97 Ų | 97 | 136.1 Ų | 136.1 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | | | trans | 62.4 | 92.7 | 143.2 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 172 | I | 37.4 | Very low | 36.7 | Very low | 158 Ų | 158 | 138.1 Ų | 138.1 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | | | trans | -120 | 116.9 | 140.5 | -63.5 | 178.3 | 0 | 0 | 0 | 107.5 | N174 | I172-N174 PolarHBondContact O-N 3.3Š|
| 173 | K | 34.2 | Very low | 36.3 | Very low | 196 Ų | 196 | 135.1 Ų | 135.1 | 85% | 0.852 | 80% | 0.801 | S | S | * | * | | | trans | -72.3 | 109.8 | 169.3 | -77.7 | 177.1 | 175.5 | 178.8 | 0 | 108.3 | | |
| 174 | N | 30.1 | Very low | 36.1 | Very low | 146 Ų | 146 | 132 Ų | 132 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | | | trans | -108.2 | 123 | 158.6 | -101 | -34.6 | 0 | 0 | 0 | 107.6 | I172 | I172-N174 PolarHBondContact O-N 3.3Š|
| 175 | I | 34.5 | Very low | 36.1 | Very low | 158 Ų | 158 | 136.3 Ų | 136.3 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | | | trans | -111.8 | 107 | 172.1 | -64.4 | 174.6 | 0 | 0 | 0 | 106.8 | | |
| 176 | H | 42.4 | Very low | 37 | Very low | 169 Ų | 169 | 133.2 Ų | 133.2 | 78% | 0.782 | 79% | 0.792 | S | S | * | * | | | trans | -74.5 | 169.5 | 155.4 | -97.3 | -94.8 | 0 | 0 | 0 | 109 | | |
| 177 | P | 51.4 | Low | 36.9 | Very low | 120 Ų | 120 | 134.9 Ų | 134.9 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | | | cis | -148.5 | 168.9 | 43.3 | 35.2 | -10.8 | 0 | 0 | 0 | 115.9 | | |
| 178 | S | 29.7 | Very low | 36.5 | Very low | 104 Ų | 104 | 130.9 Ų | 130.9 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | | | | 155.3 | 140.1 | 97.7 | -178.9 | 0 | 0 | 0 | 0 | 105.2 | | |
| 179 | S | 32.9 | Very low | 36.1 | Very low | 108 Ų | 108 | 128.5 Ų | 128.5 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | | | cis | -168.6 | 138.7 | 14.2 | 20.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 180 | S | 31.9 | Very low | 36 | Very low | 114 Ų | 114 | 130 Ų | 130 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | | | trans | -74.1 | -163.8 | 174.3 | -32.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 181 | P | 47.4 | Very low | 36.8 | Very low | 125 Ų | 125 | 130.6 Ų | 130.6 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | | | cis | -137.6 | 179.2 | -19.9 | 26.6 | -2.3 | 0 | 0 | 0 | 115.3 | | |
| 182 | S | 34 | Very low | 36.8 | Very low | 114 Ų | 114 | 132.1 Ų | 132.1 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | | | trans | -64.7 | 158.4 | 175 | -150.3 | 0 | 0 | 0 | 0 | 116.7 | | |
| 183 | V | 32.4 | Very low | 36.6 | Very low | 133 Ų | 133 | 133.9 Ų | 133.9 | 81% | 0.806 | 79% | 0.789 | S | S | * | * | | | trans | -132.8 | 109.6 | 162.8 | 173.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 184 | V | 34.3 | Very low | 36.8 | Very low | 134 Ų | 134 | 133.4 Ų | 133.4 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | | | trans | 40.1 | 129.8 | 136.2 | -158.3 | 0 | 0 | 0 | 0 | 122.3 | | |
| 185 | Q | 35.8 | Very low | 37.1 | Very low | 178 Ų | 178 | 138.1 Ų | 138.1 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | | | trans | -65.4 | -173.4 | 166.2 | -76.6 | -173.2 | -13.5 | 0 | 0 | 113.5 | | |
| 186 | P | 53.7 | Low | 37.8 | Very low | 105 Ų | 105 | 136.1 Ų | 136.1 | 68% | 0.682 | 79% | 0.793 | S | S | * | * | | | cis | -151.2 | -158.5 | 22 | 40.9 | -15 | 0 | 0 | 0 | 117.2 | | |
| 187 | T | 32 | Very low | 37.3 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 80% | 0.798 | 79% | 0.792 | S | S | * | * | | | trans | 100.6 | 139.8 | 166.4 | 71.2 | 0 | 0 | 0 | 0 | 115.9 | | |
| 188 | S | 33.4 | Very low | 36.4 | Very low | 116 Ų | 116 | 131.2 Ų | 131.2 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | | | cis | -179.3 | 147.3 | -12.8 | 46.6 | 0 | 0 | 0 | 0 | 108.5 | | |
| 189 | G | 32.4 | Very low | 37 | Very low | 70 Ų | 70 | 134.7 Ų | 134.7 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | | | trans | 94.1 | 93.4 | 144.2 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 190 | I | 31.9 | Very low | 37.1 | Very low | 165 Ų | 165 | 137.9 Ų | 137.9 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | | | | 32.4 | 146 | 115.3 | -51.4 | -179.9 | 0 | 0 | 0 | 119 | | |
| 191 | P | 48.9 | Very low | 37.4 | Very low | 102 Ų | 102 | 140.6 Ų | 140.6 | 66% | 0.662 | 80% | 0.802 | S | S | * | * | | | cis | -149 | -172.2 | -31.3 | 46.3 | -26.7 | 0 | 0 | 0 | 116.6 | | |
| 192 | V | 31.8 | Very low | 37 | Very low | 130 Ų | 130 | 138.6 Ų | 138.6 | 79% | 0.788 | 80% | 0.797 | S | S | * | * | | | trans | 66.2 | 116 | 147.4 | -178.1 | 0 | 0 | 0 | 0 | 120.3 | | |
| 193 | Q | 34.3 | Very low | 37.5 | Very low | 194 Ų | 194 | 138.9 Ų | 138.9 | 91% | 0.907 | 80% | 0.796 | S | S | * | * | | | | -166.5 | 128.8 | 118.3 | -162.5 | 134.6 | 18.9 | 0 | 0 | 112 | | |
| 194 | Q | 37.1 | Very low | 37.8 | Very low | 186 Ų | 186 | 139.6 Ų | 139.6 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | | | trans | -118.9 | 123 | 177.8 | -154.4 | 178.2 | 8.5 | 0 | 0 | 108 | | |
| 195 | R | 36.8 | Very low | 38.3 | Very low | 245 Ų | 245 | 138.4 Ų | 138.4 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | | | trans | -166.3 | 152.6 | 143.9 | -111.6 | -161.8 | -152.3 | -178.2 | 9.1 | 113.2 | | |
| 196 | P | 49.6 | Very low | 38.7 | Very low | 116 Ų | 116 | 138.7 Ų | 138.7 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | | | trans | -100.2 | 156.2 | -159.6 | 39.6 | -34.5 | 0 | 0 | 0 | 112.5 | | |
| 197 | A | 31.8 | Very low | 38.2 | Very low | 90 Ų | 90 | 138.7 Ų | 138.7 | 74% | 0.744 | 79% | 0.789 | S | S | * | * | | | trans | -167.7 | 124.2 | 147.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 198 | S | 31.9 | Very low | 38.5 | Very low | 97 Ų | 97 | 138.4 Ų | 138.4 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | | | trans | 57.2 | 112 | 137.6 | 52.5 | 0 | 0 | 0 | 0 | 121.6 | | |
| 199 | H | 43.2 | Very low | 38.6 | Very low | 177 Ų | 177 | 142.9 Ų | 142.9 | 82% | 0.819 | 79% | 0.787 | S | S | * | * | | | | 28.8 | 103.8 | 122.6 | -44.8 | -58.2 | 0 | 0 | 0 | 118.3 | | |
| 200 | L | 34.7 | Very low | 39.1 | Very low | 174 Ų | 174 | 145 Ų | 145 | 91% | 0.911 | 79% | 0.786 | S | S | * | * | | | trans | -146.8 | 109.2 | 134.2 | -77.9 | -177.7 | 0 | 0 | 0 | 108.3 | A202 | L200-A202 PolarHBondContact O-N 3.3Š|
| 201 | I | 39.1 | Very low | 39.4 | Very low | 171 Ų | 171 | 143.4 Ų | 143.4 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | | | trans | -72.2 | 107.2 | 168.1 | -70 | 158.7 | 0 | 0 | 0 | 106.1 | | |
| 202 | A | 38.2 | Very low | 38.8 | Very low | 84 Ų | 84 | 143.7 Ų | 143.7 | 69% | 0.694 | 79% | 0.786 | S | S | * | * | | | trans | -71.7 | 133.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | L200 N204 | L200-A202 PolarHBondContact O-N 3.3Å; A202-N204 PolarHBondContact O-N 3.02Å |
| 203 | P | 43.7 | Very low | 39.1 | Very low | 120 Ų | 120 | 147.3 Ų | 147.3 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | | | trans | -68.3 | 130.9 | 174.2 | 26.9 | -30.5 | 0 | 0 | 0 | 109.9 | | |
| 204 | N | 39.5 | Very low | 39.2 | Very low | 147 Ų | 147 | 144 Ų | 144 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | | | trans | -46 | 125.8 | 174.8 | -168.7 | 5.4 | 0 | 0 | 0 | 111.8 | A202 K206 | A202-N204 PolarHBondContact O-N 3.02Å; N204-K206 PolarHBondContact O-N 3.35Å |
| 205 | P | 43.9 | Very low | 39.3 | Very low | 109 Ų | 109 | 138.6 Ų | 138.6 | 71% | 0.708 | 77% | 0.771 | S | S | * | * | | | trans | -68.8 | 128.2 | 173.3 | 27.2 | -31.2 | 0 | 0 | 0 | 110 | | |
| 206 | K | 44 | Very low | 39.5 | Very low | 184 Ų | 184 | 133 Ų | 133 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | | | trans | -50.5 | 140.1 | 172.7 | -62.3 | 175 | -179.6 | 177.1 | 0 | 110 | N204 V208 | N204-K206 PolarHBondContact O-N 3.35Å; K206-V208 PolarHBondContact O-N 3.15Å |
| 207 | P | 43.5 | Very low | 39.1 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 69% | 0.688 | 77% | 0.767 | S | S | * | * | | | trans | -65.8 | 110.7 | 174.7 | 26.5 | -31.5 | 0 | 0 | 0 | 109.2 | Y209 | P207-Y209 PolarHBondContact O-N 2.89Š|
| 208 | V | 38.3 | Very low | 39.5 | Very low | 123 Ų | 123 | 133.4 Ų | 133.4 | 75% | 0.745 | 77% | 0.767 | S | S | * | * | | | trans | -73.3 | 108.2 | 166 | 176.9 | 0 | 0 | 0 | 0 | 106.3 | K206 T210 | K206-V208 PolarHBondContact O-N 3.15Å; V208-T210 VanDerWaalsContact C-N 3.35Å; V208-T210 HydrophobicContact CG1-CG2 4.1Å; V208-T210 PolarHBondContact O-N 2.99Å |
| 209 | Y | 35.4 | Very low | 39.7 | Very low | 210 Ų | 210 | 136.6 Ų | 136.6 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | | | trans | -70.3 | 94.7 | 167.9 | -76 | -86.4 | 0 | 0 | 0 | 108.5 | P207 V211 | P207-Y209 PolarHBondContact O-N 2.89Å; Y209-V211 PolarHBondContact O-N 2.94Å |
| 210 | T | 42.6 | Very low | 39.2 | Very low | 116 Ų | 116 | 134.5 Ų | 134.5 | 71% | 0.712 | 77% | 0.77 | S | S | * | * | | | trans | -76.3 | 112.8 | 163.4 | 52.5 | 0 | 0 | 0 | 0 | 108.2 | V208 P212 | V208-T210 VanDerWaalsContact C-N 3.35Å; V208-T210 HydrophobicContact CG1-CG2 4.1Å; V208-T210 PolarHBondContact O-N 2.99Å; T210-P212 WeakPolarHBondContact O-CD 3.42Å |
| 211 | V | 38.9 | Very low | 39.2 | Very low | 130 Ų | 130 | 134.9 Ų | 134.9 | 79% | 0.788 | 77% | 0.765 | S | S | * | * | | | trans | -58.4 | 125.4 | 167.3 | -179.6 | 0 | 0 | 0 | 0 | 108.3 | Y209 K213 | Y209-V211 PolarHBondContact O-N 2.94Å; V211-K213 PolarHBondContact O-N 3.01Å; V211-K213 VanDerWaalsContact O-N 3.08Å |
| 212 | P | 35.8 | Very low | 38.9 | Very low | 109 Ų | 109 | 130.6 Ų | 130.6 | 71% | 0.708 | 75% | 0.754 | S | S | * | * | | | trans | -63.1 | 112.8 | 169.9 | -20 | 32.3 | 0 | 0 | 0 | 109.3 | T210 V214 | T210-P212 WeakPolarHBondContact O-CD 3.42Å; P212-V214 VanDerWaalsContact C-N 3.32Å; P212-V214 PolarHBondContact O-N 3.29Å |
| 213 | K | 38 | Very low | 38.9 | Very low | 206 Ų | 206 | 132.1 Ų | 132.1 | 90% | 0.896 | 76% | 0.76 | S | S | * | * | | | trans | -68.2 | 94.3 | 165.5 | -176 | 167.1 | -177.9 | 171.1 | 0 | 107.3 | V211 A215 | V211-K213 PolarHBondContact O-N 3.01Å; V211-K213 VanDerWaalsContact O-N 3.08Å; K213-A215 PolarHBondContact O-N 3.33Å; K213-A215 VanDerWaalsContact O-N 3.11Å |
| 214 | V | 37.8 | Very low | 38.7 | Very low | 124 Ų | 124 | 132 Ų | 132 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | | | trans | -66.4 | 109.4 | 172.2 | -177.5 | 0 | 0 | 0 | 0 | 107.4 | P212 | P212-V214 VanDerWaalsContact C-N 3.32Å; P212-V214 PolarHBondContact O-N 3.29Å |
| 215 | A | 39.5 | Very low | 38.7 | Very low | 73 Ų | 73 | 131.5 Ų | 131.5 | 60% | 0.603 | 75% | 0.753 | S | S | * | * | | | trans | -72.9 | 127.9 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | K213 T217 | K213-A215 PolarHBondContact O-N 3.33Å; K213-A215 VanDerWaalsContact O-N 3.11Å; A215-T217 PolarHBondContact O-N 2.88Å; A215-T217 VanDerWaalsContact O-N 3.15Å |
| 216 | P | 39.8 | Very low | 38.4 | Very low | 128 Ų | 128 | 133.7 Ų | 133.7 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | | | trans | -78.1 | 99.7 | 169.2 | 28.4 | -28.1 | 0 | 0 | 0 | 109 | | |
| 217 | T | 42.4 | Very low | 38 | Very low | 124 Ų | 124 | 132 Ų | 132 | 76% | 0.761 | 75% | 0.752 | S | S | * | * | | | trans | -94.3 | 90.5 | 160.2 | -48.6 | 0 | 0 | 0 | 0 | 108.1 | A215 | A215-T217 PolarHBondContact O-N 2.88Å; A215-T217 VanDerWaalsContact O-N 3.15Å |
| 218 | A | 38.2 | Very low | 37.6 | Very low | 90 Ų | 90 | 133 Ų | 133 | 74% | 0.744 | 76% | 0.759 | S | S | * | * | | | trans | -129.4 | 98.9 | 156.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | V220 | A218-V220 PolarHBondContact O-N 3.28Š|
| 219 | Q | 37.5 | Very low | 37.8 | Very low | 164 Ų | 164 | 133 Ų | 133 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | | | trans | -72.3 | 104.4 | 172.1 | -68.2 | -165.3 | -12.9 | 0 | 0 | 109 | | |
| 220 | V | 31.4 | Very low | 38.3 | Very low | 132 Ų | 132 | 128.9 Ų | 128.9 | 80% | 0.8 | 76% | 0.756 | S | S | * | * | | | trans | -104.2 | 104.7 | 150.9 | -179.8 | 0 | 0 | 0 | 0 | 106.1 | A218 A222 | A218-V220 PolarHBondContact O-N 3.28Å; V220-A222 PolarHBondContact O-N 2.87Å |
| 221 | K | 36.2 | Very low | 38.2 | Very low | 183 Ų | 183 | 130.9 Ų | 130.9 | 80% | 0.796 | 76% | 0.762 | S | S | * | * | | | trans | -66.1 | 101.9 | 170.5 | -76.4 | 178 | 177.8 | 179.3 | 0 | 108.3 | | |
| 222 | A | 31.3 | Very low | 38.5 | Very low | 80 Ų | 80 | 128.6 Ų | 128.6 | 66% | 0.661 | 77% | 0.765 | S | S | * | * | | | trans | -116.5 | 93.1 | 156.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | V220 T224 | V220-A222 PolarHBondContact O-N 2.87Å; A222-T224 PolarHBondContact O-N 3.18Å |
| 223 | S | 39.8 | Very low | 38.7 | Very low | 116 Ų | 116 | 132.4 Ų | 132.4 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | | | trans | -65.8 | 103.6 | 168.6 | -70.3 | 0 | 0 | 0 | 0 | 108.3 | | |
| 224 | T | 39.1 | Very low | 38.7 | Very low | 118 Ų | 118 | 129.1 Ų | 129.1 | 72% | 0.724 | 77% | 0.77 | S | S | * | * | | | trans | -109.4 | 102 | 160.5 | -60 | 0 | 0 | 0 | 0 | 107.4 | A222 I226 | A222-T224 PolarHBondContact O-N 3.18Å; T224-I226 HydrophobicContact CG2-CG1 4.41Å; T224-I226 PolarHBondContact O-N 2.77Å |
| 225 | I | 39.4 | Very low | 38.6 | Very low | 137 Ų | 137 | 132.2 Ų | 132.2 | 70% | 0.703 | 77% | 0.774 | S | S | * | * | | | trans | -73.3 | 113 | 169 | -66.2 | 171 | 0 | 0 | 0 | 106.4 | Q227 | I225-Q227 HydrophobicContact CG2-CG 3.96Š|
| 226 | I | 38.3 | Very low | 38.2 | Very low | 154 Ų | 154 | 134.2 Ų | 134.2 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | | | trans | -88.3 | 103.7 | 165.9 | -57.9 | 178.1 | 0 | 0 | 0 | 106.6 | T224 | T224-I226 HydrophobicContact CG2-CG1 4.41Å; T224-I226 PolarHBondContact O-N 2.77Å |
| 227 | Q | 35.5 | Very low | 38.1 | Very low | 148 Ų | 148 | 133 Ų | 133 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | | | trans | -92.6 | 140.3 | 159.7 | -78.3 | 178.5 | 32.1 | 0 | 0 | 108.7 | I225 T229 | I225-Q227 HydrophobicContact CG2-CG 3.96Å; Q227-T229 PolarHBondContact O-N 2.89Å |
| 228 | P | 34.7 | Very low | 38 | Very low | 127 Ų | 127 | 131.7 Ų | 131.7 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | | | trans | -79.1 | 111.7 | 175.9 | 31 | -28.5 | 0 | 0 | 0 | 108.9 | | |
| 229 | T | 43.1 | Very low | 37.7 | Very low | 125 Ų | 125 | 136 Ų | 136 | 77% | 0.767 | 77% | 0.774 | S | S | * | * | | | trans | -105.3 | 119.1 | 168.5 | -44.5 | 0 | 0 | 0 | 0 | 108.8 | Q227 | Q227-T229 PolarHBondContact O-N 2.89Š|
| 230 | V | 45 | Very low | 37.6 | Very low | 123 Ų | 123 | 134 Ų | 134 | 75% | 0.745 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -60 | 135.5 | 166.8 | -91.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 231 | N | 39.5 | Very low | 38 | Very low | 157 Ų | 157 | 136.4 Ų | 136.4 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 107 | 91.8 | 173.6 | -52.6 | -11.9 | 0 | 0 | 0 | 113.3 | Q233 | N231-Q233 PolarHBondContact O-N 2.98Š|
| 232 | G | 46.5 | Very low | 38.1 | Very low | 83 Ų | 83 | 134.4 Ų | 134.4 | 86% | 0.856 | 77% | 0.772 | S | S | * | * | | | trans | -62.1 | 112.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 233 | Q | 39.6 | Very low | 38.2 | Very low | 189 Ų | 189 | 136.3 Ų | 136.3 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | | | trans | -153.4 | 103.6 | 154.4 | -114.9 | -179 | -5.8 | 0 | 0 | 108.2 | N231 | N231-Q233 PolarHBondContact O-N 2.98Š|
| 234 | V | 37.8 | Very low | 38 | Very low | 137 Ų | 137 | 136.6 Ų | 136.6 | 83% | 0.83 | 78% | 0.777 | S | S | * | * | | | trans | -94.2 | 100.9 | 172.9 | 174.9 | 0 | 0 | 0 | 0 | 107.5 | V236 | V234-V236 HydrophobicContact CG1-CG2 3.62Š|
| 235 | K | 34.9 | Very low | 38 | Very low | 188 Ų | 188 | 134.8 Ų | 134.8 | 82% | 0.817 | 78% | 0.782 | S | S | * | * | | | trans | -95.6 | 99.6 | 165.5 | -173.4 | 179.7 | -179.5 | -170.7 | 0 | 107.5 | | |
| 236 | V | 32.8 | Very low | 37.7 | Very low | 116 Ų | 116 | 134.5 Ų | 134.5 | 70% | 0.703 | 79% | 0.786 | S | S | * | * | | | trans | -92.7 | 107.1 | 170.2 | 173.8 | 0 | 0 | 0 | 0 | 107.5 | V234 | V234-V236 HydrophobicContact CG1-CG2 3.62Š|
| 237 | S | 36.6 | Very low | 37.6 | Very low | 102 Ų | 102 | 136.2 Ų | 136.2 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | | | trans | -105 | 113.8 | 160.1 | -69.2 | 0 | 0 | 0 | 0 | 107 | | |
| 238 | S | 40.4 | Very low | 37.6 | Very low | 97 Ų | 97 | 135.3 Ų | 135.3 | 68% | 0.678 | 80% | 0.797 | S | S | * | * | | | trans | -140.2 | 98.1 | 158.3 | 55.4 | 0 | 0 | 0 | 0 | 107.4 | | |
| 239 | E | 33.3 | Very low | 37.8 | Very low | 181 Ų | 181 | 134 Ų | 134 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | | | trans | -62 | 129.8 | 163.6 | -70.3 | 173.9 | 138 | 0 | 0 | 108.4 | | |
| 240 | T | 35 | Very low | 37.3 | Very low | 121 Ų | 121 | 137.4 Ų | 137.4 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | | | trans | -131.2 | 107.3 | 156.8 | -62.1 | 0 | 0 | 0 | 0 | 105.9 | I242 | T240-I242 HydrophobicContact CG2-CG1 4.43Å; T240-I242 PolarHBondContact O-N 3.16Å |
| 241 | Q | 38.5 | Very low | 36.9 | Very low | 183 Ų | 183 | 135.8 Ų | 135.8 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | | | trans | -70.4 | 118.7 | 175.1 | -62.3 | -161.6 | 5.8 | 0 | 0 | 109 | | |
| 242 | I | 38.1 | Very low | 37 | Very low | 141 Ų | 141 | 135.7 Ų | 135.7 | 72% | 0.723 | 80% | 0.803 | S | S | * | * | | | trans | -118.7 | 105 | 160.2 | -56.3 | -179.9 | 0 | 0 | 0 | 106.4 | T240 T244 | T240-I242 HydrophobicContact CG2-CG1 4.43Å; T240-I242 PolarHBondContact O-N 3.16Å; I242-T244 PolarHBondContact O-N 3.42Å |
| 243 | S | 34 | Very low | 36.6 | Very low | 119 Ų | 119 | 140.5 Ų | 140.5 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | | | trans | -64.4 | 111.1 | 172.8 | -176.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 244 | T | 35.5 | Very low | 37 | Very low | 123 Ų | 123 | 136.3 Ų | 136.3 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | | | trans | -138 | 107.7 | 157.6 | 20.4 | 0 | 0 | 0 | 0 | 107.4 | I242 V246 | I242-T244 PolarHBondContact O-N 3.42Å; T244-V246 PolarHBondContact O-N 2.87Å |
| 245 | G | 39.8 | Very low | 37.3 | Very low | 80 Ų | 80 | 140.3 Ų | 140.3 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | | | trans | -72.4 | 115 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 246 | V | 33.8 | Very low | 38 | Very low | 131 Ų | 131 | 142.2 Ų | 142.2 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | | | trans | -132.8 | 113.8 | 157.2 | -178.5 | 0 | 0 | 0 | 0 | 106.8 | T244 V248 | T244-V246 PolarHBondContact O-N 2.87Å; V246-V248 HydrophobicContact CG1-CG2 4.37Å; V246-V248 PolarHBondContact O-N 3.19Å |
| 247 | M | 36.1 | Very low | 38.3 | Very low | 190 Ų | 190 | 143 Ų | 143 | 94% | 0.936 | 80% | 0.803 | S | S | * | * | | | trans | -77.5 | 117 | 175.2 | -65.1 | -115.6 | -71.1 | 0 | 0 | 109 | | |
| 248 | V | 35.5 | Very low | 38.8 | Very low | 128 Ų | 128 | 147 Ų | 147 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | | | trans | -128.1 | 117.9 | 158.5 | -177 | 0 | 0 | 0 | 0 | 107.7 | V246 | V246-V248 HydrophobicContact CG1-CG2 4.37Å; V246-V248 PolarHBondContact O-N 3.19Å |
| 249 | A | 37.8 | Very low | 39.1 | Very low | 99 Ų | 99 | 147 Ų | 147 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | | | trans | -67.4 | 128.1 | 176 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 250 | E | 33 | Very low | 39.7 | Very low | 198 Ų | 198 | 145 Ų | 145 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | | | trans | -111 | 104.6 | 171 | -161.8 | 166.1 | -177.6 | 0 | 0 | 109 | | |
| 251 | A | 37.5 | Very low | 40 | Very low | 88 Ų | 88 | 143.6 Ų | 143.6 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | | | trans | -102.2 | 120.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 252 | N | 40.5 | Very low | 40.7 | Very low | 155 Ų | 155 | 140.1 Ų | 140.1 | 83% | 0.829 | 81% | 0.81 | S | S | * | * | | | trans | 42.5 | 116.9 | 150.8 | -81.9 | -31.1 | 0 | 0 | 0 | 119.4 | | |
| 253 | Q | 39.3 | Very low | 41.2 | Very low | 184 Ų | 184 | 138.6 Ų | 138.6 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | | | trans | -140.8 | 108.1 | 132.4 | -130.3 | 156.6 | 74.6 | 0 | 0 | 113.8 | | |
| 254 | S | 47.2 | Very low | 42.5 | Very low | 102 Ų | 102 | 138.1 Ų | 138.1 | 71% | 0.713 | 81% | 0.806 | S | S | * | * | | | trans | -52.7 | 129 | 159 | 172 | 0 | 0 | 0 | 0 | 111.2 | | |
| 255 | R | 44.9 | Very low | 43.4 | Very low | 220 Ų | 220 | 136 Ų | 136 | 83% | 0.83 | 79% | 0.794 | S | S | * | * | | | trans | -158.8 | 106 | 140.6 | -114.8 | 177.6 | -111.4 | -161.9 | -0.4 | 112.7 | | |
| 256 | R | 49.3 | Very low | 44.3 | Very low | 229 Ų | 229 | 135.7 Ų | 135.7 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | | | trans | -55.8 | 123.7 | 157.9 | 178.6 | -174.3 | -172.1 | -175.1 | 4.1 | 109.7 | | |
| 257 | T | 37.4 | Very low | 45.6 | Very low | 133 Ų | 133 | 136 Ų | 136 | 82% | 0.816 | 78% | 0.777 | S | S | * | * | | | trans | -136.2 | 123.5 | 156.1 | 51.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 258 | K | 47 | Very low | 46.9 | Very low | 184 Ų | 184 | 131.5 Ų | 131.5 | 80% | 0.8 | 76% | 0.757 | S | S | * | * | | | trans | -75.2 | 135.7 | 176.6 | -164.1 | 175.4 | -177.3 | -177.2 | 0 | 108.5 | | |
| 259 | S | 46.7 | Very low | 48.3 | Very low | 97 Ų | 97 | 129.5 Ų | 129.5 | 68% | 0.678 | 74% | 0.744 | S | S | * | * | | | trans | 10.1 | 137.1 | 160 | 63.9 | 0 | 0 | 0 | 0 | 121 | | |
| 260 | V | 47.5 | Very low | 49.9 | Very low | 140 Ų | 140 | 130.2 Ų | 130.2 | 85% | 0.848 | 73% | 0.734 | S | S | * | * | | | trans | 133.2 | 137 | 133.3 | 175.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 261 | A | 41 | Very low | 52.3 | Low | 91 Ų | 91 | 124.3 Ų | 124.3 | 75% | 0.752 | 71% | 0.709 | S | S | * | * | | | trans | 92 | 109.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | S263 | A261-S263 PolarHBondContact O-N 3.04Š|
| 262 | A | 53.7 | Low | 54.9 | Low | 111 Ų | 111 | 124.3 Ų | 124.3 | 92% | 0.917 | 70% | 0.696 | S | S | * | * | | | trans | -56.5 | 119.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 263 | S | 48.5 | Very low | 57.5 | Low | 109 Ų | 109 | 121.1 Ų | 121.1 | 76% | 0.762 | 68% | 0.679 | S | S | * | * | | | trans | -120.7 | 132.8 | 163.7 | -168.5 | 0 | 0 | 0 | 0 | 108.3 | A261 | A261-S263 PolarHBondContact O-N 3.04Š|
| 264 | P | 60.8 | Low | 60.1 | Low | 109 Ų | 109 | 116.3 Ų | 116.3 | 71% | 0.708 | 66% | 0.659 | S | S | * | * | | | trans | -70.5 | 174 | -177.3 | -11.2 | 28 | 0 | 0 | 0 | 112.5 | A266 | P264-A266 PolarHBondContact O-N 3.47Š|
| 265 | P | 54.4 | Low | 62.4 | Low | 77 Ų | 77 | 118.3 Ų | 118.3 | 50% | 0.5 | 66% | 0.655 | S | S | . | * | | | trans | -84.3 | 85.9 | -145.2 | 35.6 | -37.2 | 0 | 0 | 0 | 114.3 | H267 N268 | P265-H267 PolarHBondContact O-N 3.42Å; P265-N268 HydrophobicContact CB-CB 4.3Å; P265-N268 WeakPolarHBondContact CB-ND2 3.49Å; P265-N268 PolarHBondContact O-N 2.86Å |
| 266 | A | 58.7 | Low | 64.8 | Low | 75 Ų | 75 | 112.7 Ų | 112.7 | 62% | 0.62 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -68.8 | -17.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | P264 N268 | P264-A266 PolarHBondContact O-N 3.47Å; A266-N268 VanDerWaalsContact C-N 3.31Å; A266-N268 PolarHBondContact O-N 2.78Å |
| 267 | H | 61.6 | Low | 67.1 | Low | 136 Ų | 136 | 106.8 Ų | 106.8 | 63% | 0.63 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -72.1 | -24.1 | 177.6 | -158.5 | -42.2 | 0 | 0 | 0 | 112.6 | P265 N271 | P265-H267 PolarHBondContact O-N 3.42Å; H267-N271 PolarHBondContact ND1-OD1 3.06Å; H267-N271 VanDerWaalsContact O-CG 3.26Å; H267-N271 PolarHBondContact O-OD1 2.78Å |
| 268 | N | 62 | Low | 69.9 | Low | 96 Ų | 96 | 106.7 Ų | 106.7 | 51% | 0.513 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -82.7 | -33.3 | -175.7 | -61.3 | -13.3 | 0 | 0 | 0 | 112 | P265 A266 N271 I272 | P265-N268 HydrophobicContact CB-CB 4.3Å; P265-N268 WeakPolarHBondContact CB-ND2 3.49Å; P265-N268 PolarHBondContact O-N 2.86Å; A266-N268 VanDerWaalsContact C-N 3.31Å; A266-N268 PolarHBondContact O-N 2.78Å; N268-N271 PolarHBondContact O-N 3.45Å; N268-I272 WeakPolarHBondContact O-CD1 3.39Å; N268-I272 VanDerWaalsContact O-CG1 3.22Å; N268-I272 WeakPolarHBondContact O-CG1 3.23Å; N268-I272 PolarHBondContact O-N 3.12Å; N268-I272 VanDerWaalsContact O-N 3.12Å |
| 269 | V | 66 | Low | 72.3 | Confident | 86 Ų | 86 | 100.4 Ų | 100.4 | 52% | 0.521 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -70.8 | -45.9 | -177.2 | -177.5 | 0 | 0 | 0 | 0 | 111 | N271 I272 D273 | V269-N271 PolarHBondContact O-N 3.24Å; V269-I272 WeakPolarHBondContact O-CB 3Å; V269-I272 PolarHBondContact O-N 3.5Å; V269-D273 PolarHBondContact O-N 3.18Å; V269-D273 VanDerWaalsContact O-N 3.13Å |
| 270 | L | 70.8 | Confident | 74.8 | Confident | 114 Ų | 114 | 100.9 Ų | 100.9 | 60% | 0.597 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -61.2 | -31.5 | 175 | -61.9 | 177.3 | 0 | 0 | 0 | 112.5 | N274 | L270-N274 VanDerWaalsContact O-CG 3.28Å; L270-N274 PolarHBondContact O-N 3.47Å; L270-N274 PolarHBondContact O-ND2 2.8Å |
| 271 | N | 83.9 | Confident | 77.2 | Confident | 74 Ų | 74 | 97.3 Ų | 97.3 | 40% | 0.396 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -76.2 | -23.7 | 176.2 | -76.2 | 52.6 | 0 | 0 | 0 | 113 | H267 N268 V269 K275 | H267-N271 PolarHBondContact ND1-OD1 3.06Å; H267-N271 VanDerWaalsContact O-CG 3.26Å; H267-N271 PolarHBondContact O-OD1 2.78Å; N268-N271 PolarHBondContact O-N 3.45Å; V269-N271 PolarHBondContact O-N 3.24Å; N271-K275 WeakPolarHBondContact O-CD 3.48Å; N271-K275 VanDerWaalsContact O-CG 3.29Å; N271-K275 WeakPolarHBondContact O-CG 3.22Å; N271-K275 PolarHBondContact O-N 2.92Å |
| 272 | I | 92.1 | Very high | 79.9 | Confident | 89 Ų | 89 | 98.7 Ų | 98.7 | 46% | 0.456 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -76.6 | -44.8 | 175.4 | -69.6 | 160.1 | 0 | 0 | 0 | 109.8 | N268 V269 N274 K275 I276 | N268-I272 WeakPolarHBondContact O-CD1 3.39Å; N268-I272 VanDerWaalsContact O-CG1 3.22Å; N268-I272 WeakPolarHBondContact O-CG1 3.23Å; N268-I272 PolarHBondContact O-N 3.12Å; N268-I272 VanDerWaalsContact O-N 3.12Å; V269-I272 WeakPolarHBondContact O-CB 3Å; V269-I272 PolarHBondContact O-N 3.5Å; I272-N274 VanDerWaalsContact C-N 3.29Å; I272-N274 PolarHBondContact O-N 3.33Å; I272-K275 CarbonylContact O-C 3.59Å; I272-K275 WeakPolarHBondContact O-CA 3.34Å; I272-K275 WeakPolarHBondContact O-CB 3.38Å; I272-K275 PolarHBondContact O-N 3.4Å; I272-I276 HydrophobicContact CG2-CD1 3.77Å; I272-I276 HydrophobicContact CG2-CG1 4.28Å; I272-I276 WeakPolarHBondContact O-CG1 3.5Å; I272-I276 PolarHBondContact O-N 2.99Å |
| 273 | D | 95 | Very high | 82 | Confident | 88 Ų | 88 | 98.1 Ų | 98.1 | 47% | 0.471 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -58.8 | -43.2 | 178.1 | -63.8 | -25.4 | 0 | 0 | 0 | 111.1 | V269 K275 I276 E277 | V269-D273 PolarHBondContact O-N 3.18Å; V269-D273 VanDerWaalsContact O-N 3.13Å; D273-K275 VanDerWaalsContact C-N 3.29Å; D273-K275 PolarHBondContact O-N 3.44Å; D273-I276 PolarHBondContact O-N 3.48Å; D273-E277 WeakPolarHBondContact O-CB 3.09Å; D273-E277 PolarHBondContact O-N 3.42Å |
| 274 | N | 93.4 | Very high | 84.4 | Confident | 83 Ų | 83 | 97.9 Ų | 97.9 | 44% | 0.444 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.9 | -32.9 | 174.3 | -69.3 | -15.1 | 0 | 0 | 0 | 113.3 | L270 I272 Q278 | L270-N274 VanDerWaalsContact O-CG 3.28Å; L270-N274 PolarHBondContact O-N 3.47Å; L270-N274 PolarHBondContact O-ND2 2.8Å; I272-N274 VanDerWaalsContact C-N 3.29Å; I272-N274 PolarHBondContact O-N 3.33Å; N274-Q278 WeakPolarHBondContact O-CB 3.41Å; N274-Q278 WeakPolarHBondContact O-CG 3.31Å; N274-Q278 PolarHBondContact O-N 3.46Å; N274-Q278 PolarHBondContact O-NE2 2.91Å; N274-Q278 VanDerWaalsContact O-NE2 3.11Å |
| 275 | K | 95.4 | Very high | 86.2 | Confident | 143 Ų | 143 | 95.7 Ų | 95.7 | 62% | 0.622 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -74.9 | -35.3 | 176.3 | -78.5 | 170 | 174 | -78.7 | 0 | 111.6 | N271 I272 D273 A279 | N271-K275 WeakPolarHBondContact O-CD 3.48Å; N271-K275 VanDerWaalsContact O-CG 3.29Å; N271-K275 WeakPolarHBondContact O-CG 3.22Å; N271-K275 PolarHBondContact O-N 2.92Å; I272-K275 CarbonylContact O-C 3.59Å; I272-K275 WeakPolarHBondContact O-CA 3.34Å; I272-K275 WeakPolarHBondContact O-CB 3.38Å; I272-K275 PolarHBondContact O-N 3.4Å; D273-K275 VanDerWaalsContact C-N 3.29Å; D273-K275 PolarHBondContact O-N 3.44Å; K275-A279 WeakPolarHBondContact O-CB 3.44Å; K275-A279 PolarHBondContact O-N 3.44Å |
| 276 | I | 95.8 | Very high | 88.2 | Confident | 102 Ų | 102 | 98.5 Ų | 98.5 | 52% | 0.523 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.1 | -45.3 | 173.5 | -67 | 168.3 | 0 | 0 | 0 | 109.5 | I272 D273 Q278 A279 M280 | I272-I276 HydrophobicContact CG2-CD1 3.77Å; I272-I276 HydrophobicContact CG2-CG1 4.28Å; I272-I276 WeakPolarHBondContact O-CG1 3.5Å; I272-I276 PolarHBondContact O-N 2.99Å; D273-I276 PolarHBondContact O-N 3.48Å; I276-Q278 PolarHBondContact O-N 2.99Å; I276-A279 PolarHBondContact O-N 2.73Å; I276-M280 WeakPolarHBondContact O-CB 3.17Å; I276-M280 PolarHBondContact O-N 3Å |
| 277 | E | 96.4 | Very high | 90.1 | Very high | 105 Ų | 105 | 100 Ų | 100 | 49% | 0.491 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.3 | -45.6 | 177 | -170.8 | 171.1 | -159.1 | 0 | 0 | 111.3 | D273 A279 M280 D281 | D273-E277 WeakPolarHBondContact O-CB 3.09Å; D273-E277 PolarHBondContact O-N 3.42Å; E277-A279 PolarHBondContact O-N 3.43Å; E277-M280 PolarHBondContact O-N 3.45Å; E277-D281 PolarHBondContact O-N 3.18Å |
| 278 | Q | 96.9 | Very high | 91.9 | Very high | 131 Ų | 131 | 99 Ų | 99 | 61% | 0.612 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60 | -44.1 | 174.4 | -77.2 | 169.2 | 56.2 | 0 | 0 | 113.1 | N274 I276 M280 D281 L282 | N274-Q278 WeakPolarHBondContact O-CB 3.41Å; N274-Q278 WeakPolarHBondContact O-CG 3.31Å; N274-Q278 PolarHBondContact O-N 3.46Å; N274-Q278 PolarHBondContact O-NE2 2.91Å; N274-Q278 VanDerWaalsContact O-NE2 3.11Å; I276-Q278 PolarHBondContact O-N 2.99Å; Q278-M280 VanDerWaalsContact C-N 3.31Å; Q278-M280 PolarHBondContact O-N 3.48Å; Q278-D281 PolarHBondContact O-N 2.93Å; Q278-L282 WeakPolarHBondContact O-CB 3.46Å; Q278-L282 PolarHBondContact O-N 3.25Å |
| 279 | A | 97.8 | Very high | 93.6 | Very high | 53 Ų | 53 | 100.8 Ų | 100.8 | 44% | 0.438 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.4 | -39.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | K275 I276 E277 L282 V283 | K275-A279 WeakPolarHBondContact O-CB 3.44Å; K275-A279 PolarHBondContact O-N 3.44Å; I276-A279 PolarHBondContact O-N 2.73Å; E277-A279 PolarHBondContact O-N 3.43Å; A279-L282 PolarHBondContact O-N 3.48Å; A279-V283 VanDerWaalsContact O-CG2 3.3Å; A279-V283 WeakPolarHBondContact O-CG2 3.34Å; A279-V283 PolarHBondContact O-N 2.89Å |
| 280 | M | 98.3 | Very high | 95.1 | Very high | 107 Ų | 107 | 98.4 Ų | 98.4 | 53% | 0.527 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.1 | -43.5 | 177.6 | -175.4 | 176.4 | 61 | 0 | 0 | 111.9 | I276 E277 Q278 L282 V283 K284 | I276-M280 WeakPolarHBondContact O-CB 3.17Å; I276-M280 PolarHBondContact O-N 3Å; E277-M280 PolarHBondContact O-N 3.45Å; Q278-M280 VanDerWaalsContact C-N 3.31Å; Q278-M280 PolarHBondContact O-N 3.48Å; M280-L282 VanDerWaalsContact C-N 3.32Å; M280-V283 PolarHBondContact O-N 2.83Å; M280-K284 WeakPolarHBondContact O-CB 3.32Å; M280-K284 PolarHBondContact O-N 3.39Å |
| 281 | D | 97.9 | Very high | 96.4 | Very high | 65 Ų | 65 | 96.6 Ų | 96.6 | 35% | 0.348 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.7 | -34 | 176.9 | -78.2 | -21.4 | 0 | 0 | 0 | 112.2 | E277 Q278 K284 T285 | E277-D281 PolarHBondContact O-N 3.18Å; Q278-D281 PolarHBondContact O-N 2.93Å; D281-K284 PolarHBondContact O-N 2.86Å; D281-K284 IonicContact OD1-NZ 3.33Å; D281-K284 PolarHBondContact OD1-NZ 3.13Å; D281-T285 WeakPolarHBondContact O-CB 3.41Å; D281-T285 VanDerWaalsContact O-CG2 3.31Å; D281-T285 WeakPolarHBondContact O-CG2 3.4Å; D281-T285 PolarHBondContact O-N 2.84Å; D281-T285 PolarHBondContact O-OG1 2.94Å |
| 282 | L | 98.1 | Very high | 97.1 | Very high | 119 Ų | 119 | 100 Ų | 100 | 62% | 0.623 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.6 | -46.3 | 171 | -176.7 | 64.1 | 0 | 0 | 0 | 111.4 | Q278 A279 M280 K284 T285 H286 | Q278-L282 WeakPolarHBondContact O-CB 3.46Å; Q278-L282 PolarHBondContact O-N 3.25Å; A279-L282 PolarHBondContact O-N 3.48Å; M280-L282 VanDerWaalsContact C-N 3.32Å; L282-K284 VanDerWaalsContact C-N 3.32Å; L282-K284 PolarHBondContact O-N 3Å; L282-T285 WeakPolarHBondContact CA-OG1 3.46Å; L282-T285 PolarHBondContact O-N 3.39Å; L282-T285 PolarHBondContact O-OG1 3.49Å; L282-H286 VanDerWaalsContact O-CB 3.3Å; L282-H286 WeakPolarHBondContact O-CB 3.32Å; L282-H286 PolarHBondContact O-N 3.13Å |
| 283 | V | 98.3 | Very high | 97.4 | Very high | 99 Ų | 99 | 102.6 Ų | 102.6 | 60% | 0.6 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.7 | -42.8 | 176.3 | 170 | 0 | 0 | 0 | 0 | 110.8 | A279 M280 H286 L287 | A279-V283 VanDerWaalsContact O-CG2 3.3Å; A279-V283 WeakPolarHBondContact O-CG2 3.34Å; A279-V283 PolarHBondContact O-N 2.89Å; M280-V283 PolarHBondContact O-N 2.83Å; V283-H286 PolarHBondContact O-N 3.27Å; V283-L287 WeakPolarHBondContact O-CB 3.44Å; V283-L287 PolarHBondContact O-N 3.19Å |
| 284 | K | 98.5 | Very high | 97.6 | Very high | 105 Ų | 105 | 104.7 Ų | 104.7 | 46% | 0.457 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60 | -51 | 177.9 | -174.9 | -171.2 | -64.3 | 151 | 0 | 111.1 | M280 D281 L282 L287 M288 | M280-K284 WeakPolarHBondContact O-CB 3.32Å; M280-K284 PolarHBondContact O-N 3.39Å; D281-K284 PolarHBondContact O-N 2.86Å; D281-K284 IonicContact OD1-NZ 3.33Å; D281-K284 PolarHBondContact OD1-NZ 3.13Å; L282-K284 VanDerWaalsContact C-N 3.32Å; L282-K284 PolarHBondContact O-N 3Å; K284-L287 PolarHBondContact O-N 3Å; K284-M288 HydrophobicContact CG-SD 4.38Å; K284-M288 WeakPolarHBondContact O-CB 3.5Å; K284-M288 VanDerWaalsContact O-CG 3.25Å; K284-M288 WeakPolarHBondContact O-CG 3.38Å; K284-M288 PolarHBondContact O-N 2.86Å |
| 285 | T | 98.1 | Very high | 97.8 | Very high | 62 Ų | 62 | 103.5 Ų | 103.5 | 38% | 0.38 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 178.6 | 52.4 | 0 | 0 | 0 | 0 | 111.6 | D281 L282 L287 M288 F289 | D281-T285 WeakPolarHBondContact O-CB 3.41Å; D281-T285 VanDerWaalsContact O-CG2 3.31Å; D281-T285 WeakPolarHBondContact O-CG2 3.4Å; D281-T285 PolarHBondContact O-N 2.84Å; D281-T285 PolarHBondContact O-OG1 2.94Å; L282-T285 WeakPolarHBondContact CA-OG1 3.46Å; L282-T285 PolarHBondContact O-N 3.39Å; L282-T285 PolarHBondContact O-OG1 3.49Å; T285-L287 PolarHBondContact O-N 3.4Å; T285-M288 PolarHBondContact O-N 3.26Å; T285-F289 WeakPolarHBondContact O-CD2 3.28Å; T285-F289 PolarHBondContact O-N 3.13Å |
| 286 | H | 98.3 | Very high | 98 | Very high | 136 Ų | 136 | 100.6 Ų | 100.6 | 63% | 0.63 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.1 | -45.9 | 177 | -172.3 | 62.1 | 0 | 0 | 0 | 112.2 | L282 V283 M288 F289 A290 | L282-H286 VanDerWaalsContact O-CB 3.3Å; L282-H286 WeakPolarHBondContact O-CB 3.32Å; L282-H286 PolarHBondContact O-N 3.13Å; V283-H286 PolarHBondContact O-N 3.27Å; H286-M288 PolarHBondContact O-N 2.72Å; H286-F289 PolarHBondContact O-N 3.45Å; H286-A290 WeakPolarHBondContact O-CB 3.34Å; H286-A290 PolarHBondContact O-N 2.99Å |
| 287 | L | 98.4 | Very high | 98.1 | Very high | 107 Ų | 107 | 97.9 Ų | 97.9 | 56% | 0.56 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.1 | -41.7 | 177.3 | -176.3 | 63.2 | 0 | 0 | 0 | 111.6 | V283 K284 T285 F289 A290 V291 | V283-L287 WeakPolarHBondContact O-CB 3.44Å; V283-L287 PolarHBondContact O-N 3.19Å; K284-L287 PolarHBondContact O-N 3Å; T285-L287 PolarHBondContact O-N 3.4Å; L287-F289 VanDerWaalsContact C-N 3.29Å; L287-F289 PolarHBondContact O-N 2.88Å; L287-A290 PolarHBondContact O-N 2.93Å; L287-V291 HydrophobicContact CD1-CG2 3.72Å; L287-V291 HydrophobicContact CG-CG2 4.07Å; L287-V291 VanDerWaalsContact O-CB 3.28Å; L287-V291 WeakPolarHBondContact O-CB 3.34Å; L287-V291 WeakPolarHBondContact O-CG2 3.49Å; L287-V291 PolarHBondContact O-N 2.96Å |
| 288 | M | 97.9 | Very high | 98.2 | Very high | 115 Ų | 115 | 98.1 Ų | 98.1 | 57% | 0.567 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59 | -41.6 | 176.1 | -75.7 | -179.8 | 68.2 | 0 | 0 | 112.1 | K284 T285 H286 R292 | K284-M288 HydrophobicContact CG-SD 4.38Å; K284-M288 WeakPolarHBondContact O-CB 3.5Å; K284-M288 VanDerWaalsContact O-CG 3.25Å; K284-M288 WeakPolarHBondContact O-CG 3.38Å; K284-M288 PolarHBondContact O-N 2.86Å; T285-M288 PolarHBondContact O-N 3.26Å; H286-M288 PolarHBondContact O-N 2.72Å; M288-R292 VanDerWaalsContact O-CB 3.3Å; M288-R292 WeakPolarHBondContact O-CB 3.47Å; M288-R292 PolarHBondContact O-N 3.04Å; M288-R292 VanDerWaalsContact O-N 3.12Å |
| 289 | F | 98.1 | Very high | 98.3 | Very high | 134 Ų | 134 | 99.5 Ų | 99.5 | 59% | 0.588 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -69.7 | -49.3 | 177 | -71.4 | -60.2 | 0 | 0 | 0 | 112.1 | T285 H286 L287 V291 R292 E293 | T285-F289 WeakPolarHBondContact O-CD2 3.28Å; T285-F289 PolarHBondContact O-N 3.13Å; H286-F289 PolarHBondContact O-N 3.45Å; L287-F289 VanDerWaalsContact C-N 3.29Å; L287-F289 PolarHBondContact O-N 2.88Å; F289-V291 VanDerWaalsContact C-N 3.34Å; F289-V291 PolarHBondContact O-N 3.48Å; F289-R292 PolarHBondContact O-N 3.35Å; F289-E293 PolarHBondContact O-N 3.33Å |
| 290 | A | 98.3 | Very high | 98.3 | Very high | 35 Ų | 35 | 98.5 Ų | 98.5 | 29% | 0.289 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.9 | -45.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | H286 L287 R292 E293 E294 | H286-A290 WeakPolarHBondContact O-CB 3.34Å; H286-A290 PolarHBondContact O-N 2.99Å; L287-A290 PolarHBondContact O-N 2.93Å; A290-R292 VanDerWaalsContact C-N 3.35Å; A290-R292 PolarHBondContact O-N 2.96Å; A290-E293 PolarHBondContact O-N 3.44Å; A290-E294 WeakPolarHBondContact O-CG 3.27Å; A290-E294 PolarHBondContact O-N 3.2Å |
| 291 | V | 98.6 | Very high | 98.3 | Very high | 76 Ų | 76 | 99.3 Ų | 99.3 | 46% | 0.461 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.8 | -40.2 | 178.3 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | L287 F289 V295 | L287-V291 HydrophobicContact CD1-CG2 3.72Å; L287-V291 HydrophobicContact CG-CG2 4.07Å; L287-V291 VanDerWaalsContact O-CB 3.28Å; L287-V291 WeakPolarHBondContact O-CB 3.34Å; L287-V291 WeakPolarHBondContact O-CG2 3.49Å; L287-V291 PolarHBondContact O-N 2.96Å; F289-V291 VanDerWaalsContact C-N 3.34Å; F289-V291 PolarHBondContact O-N 3.48Å; V291-V295 HydrophobicContact CG1-CG2 4.39Å; V291-V295 WeakPolarHBondContact O-CB 3.43Å; V291-V295 VanDerWaalsContact O-CG2 3.25Å; V291-V295 WeakPolarHBondContact O-CG2 3.47Å; V291-V295 PolarHBondContact O-N 3.17Å |
| 292 | R | 98.1 | Very high | 98.4 | Very high | 147 Ų | 147 | 100.6 Ų | 100.6 | 56% | 0.555 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.6 | -47.5 | 176.1 | 178.4 | 177.8 | -72.3 | 157.1 | -3.1 | 111 | M288 F289 A290 E294 V295 D296 | M288-R292 VanDerWaalsContact O-CB 3.3Å; M288-R292 WeakPolarHBondContact O-CB 3.47Å; M288-R292 PolarHBondContact O-N 3.04Å; M288-R292 VanDerWaalsContact O-N 3.12Å; F289-R292 PolarHBondContact O-N 3.35Å; A290-R292 VanDerWaalsContact C-N 3.35Å; A290-R292 PolarHBondContact O-N 2.96Å; R292-E294 PolarHBondContact O-N 3.08Å; R292-V295 PolarHBondContact O-N 2.96Å; R292-D296 WeakPolarHBondContact CG-OD2 3.45Å; R292-D296 WeakPolarHBondContact O-CB 3.47Å; R292-D296 PolarHBondContact O-N 3.27Å |
| 293 | E | 98.4 | Very high | 98.4 | Very high | 143 Ų | 143 | 100.7 Ų | 100.7 | 67% | 0.668 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.5 | -45.6 | 179.5 | -173.9 | 176.5 | 178.8 | 0 | 0 | 111.7 | F289 A290 V295 D296 G297 | F289-E293 PolarHBondContact O-N 3.33Å; A290-E293 PolarHBondContact O-N 3.44Å; E293-V295 PolarHBondContact O-N 3.36Å; E293-D296 PolarHBondContact O-N 3.5Å; E293-G297 PolarHBondContact O-N 2.98Å |
| 294 | E | 98.3 | Very high | 98.4 | Very high | 131 Ų | 131 | 100.7 Ų | 100.7 | 61% | 0.612 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.4 | -41.9 | 176.5 | -69.9 | -61.8 | 146.4 | 0 | 0 | 111.9 | A290 R292 G297 L298 | A290-E294 WeakPolarHBondContact O-CG 3.27Å; A290-E294 PolarHBondContact O-N 3.2Å; R292-E294 PolarHBondContact O-N 3.08Å; E294-G297 PolarHBondContact O-N 3.4Å; E294-L298 WeakPolarHBondContact O-CB 3.41Å; E294-L298 VanDerWaalsContact O-CG 3.25Å; E294-L298 WeakPolarHBondContact O-CG 3.39Å; E294-L298 PolarHBondContact O-N 2.88Å |
| 295 | V | 98.7 | Very high | 98.4 | Very high | 58 Ų | 58 | 99.9 Ų | 99.9 | 35% | 0.352 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.5 | -45.4 | 177.1 | 168.4 | 0 | 0 | 0 | 0 | 111.4 | V291 R292 E293 G297 L298 R299 | V291-V295 HydrophobicContact CG1-CG2 4.39Å; V291-V295 WeakPolarHBondContact O-CB 3.43Å; V291-V295 VanDerWaalsContact O-CG2 3.25Å; V291-V295 WeakPolarHBondContact O-CG2 3.47Å; V291-V295 PolarHBondContact O-N 3.17Å; R292-V295 PolarHBondContact O-N 2.96Å; E293-V295 PolarHBondContact O-N 3.36Å; V295-G297 VanDerWaalsContact C-N 3.34Å; V295-L298 PolarHBondContact O-N 3.37Å; V295-R299 WeakPolarHBondContact O-CB 3.49Å; V295-R299 VanDerWaalsContact O-CG 3.27Å; V295-R299 WeakPolarHBondContact O-CG 3.41Å; V295-R299 PolarHBondContact O-N 3.33Å |
| 296 | D | 98.4 | Very high | 98.4 | Very high | 82 Ų | 82 | 101.8 Ų | 101.8 | 44% | 0.439 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.2 | -36.2 | 179.4 | -70.4 | -23.5 | 0 | 0 | 0 | 111.2 | R292 E293 R299 G300 | R292-D296 WeakPolarHBondContact CG-OD2 3.45Å; R292-D296 WeakPolarHBondContact O-CB 3.47Å; R292-D296 PolarHBondContact O-N 3.27Å; E293-D296 PolarHBondContact O-N 3.5Å; D296-R299 PolarHBondContact O-N 2.97Å; D296-R299 IonicContact OD1-NH1 3.19Å; D296-R299 PolarHBondContact OD1-NH1 2.9Å; D296-G300 PolarHBondContact O-N 3.36Å |
| 297 | G | 98.5 | Very high | 98.4 | Very high | 46 Ų | 46 | 97.2 Ų | 97.2 | 47% | 0.474 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.7 | -45.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | E293 E294 V295 G300 K301 | E293-G297 PolarHBondContact O-N 2.98Å; E294-G297 PolarHBondContact O-N 3.4Å; V295-G297 VanDerWaalsContact C-N 3.34Å; G297-G300 PolarHBondContact O-N 2.97Å; G297-K301 PolarHBondContact O-N 3.11Å |
| 298 | L | 98.8 | Very high | 98.4 | Very high | 109 Ų | 109 | 96.6 Ų | 96.6 | 57% | 0.571 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.7 | -42.4 | 175.7 | -72.6 | 173.8 | 0 | 0 | 0 | 112 | E294 V295 G300 K301 I302 | E294-L298 WeakPolarHBondContact O-CB 3.41Å; E294-L298 VanDerWaalsContact O-CG 3.25Å; E294-L298 WeakPolarHBondContact O-CG 3.39Å; E294-L298 PolarHBondContact O-N 2.88Å; V295-L298 PolarHBondContact O-N 3.37Å; L298-G300 VanDerWaalsContact C-N 3.35Å; L298-G300 PolarHBondContact O-N 2.89Å; L298-K301 PolarHBondContact O-N 3.41Å; L298-I302 VanDerWaalsContact O-CG1 3.28Å; L298-I302 WeakPolarHBondContact O-CG1 3.43Å; L298-I302 PolarHBondContact O-N 2.94Å |
| 299 | R | 98.5 | Very high | 98.4 | Very high | 160 Ų | 160 | 94.5 Ų | 94.5 | 60% | 0.604 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -59.4 | -45.1 | 175.3 | -75.4 | 168.8 | 172.4 | 178.3 | -5 | 111.8 | V295 D296 K301 I302 F303 | V295-R299 WeakPolarHBondContact O-CB 3.49Å; V295-R299 VanDerWaalsContact O-CG 3.27Å; V295-R299 WeakPolarHBondContact O-CG 3.41Å; V295-R299 PolarHBondContact O-N 3.33Å; D296-R299 PolarHBondContact O-N 2.97Å; D296-R299 IonicContact OD1-NH1 3.19Å; D296-R299 PolarHBondContact OD1-NH1 2.9Å; R299-K301 VanDerWaalsContact C-N 3.34Å; R299-K301 PolarHBondContact O-N 3.43Å; R299-I302 PolarHBondContact O-N 2.81Å; R299-F303 WeakPolarHBondContact O-CB 3.44Å; R299-F303 PolarHBondContact O-N 3.46Å |
| 300 | G | 98.6 | Very high | 98.4 | Very high | 33 Ų | 33 | 94.6 Ų | 94.6 | 34% | 0.34 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.5 | -45 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | D296 G297 L298 I302 F303 D304 | D296-G300 PolarHBondContact O-N 3.36Å; G297-G300 PolarHBondContact O-N 2.97Å; L298-G300 VanDerWaalsContact C-N 3.35Å; L298-G300 PolarHBondContact O-N 2.89Å; G300-I302 PolarHBondContact O-N 3.27Å; G300-F303 PolarHBondContact O-N 3.49Å; G300-D304 PolarHBondContact O-N 3.18Å |
| 301 | K | 98.4 | Very high | 98.4 | Very high | 123 Ų | 123 | 100 Ų | 100 | 54% | 0.535 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 178.8 | -173.6 | 57.7 | 175.3 | 179.4 | 0 | 112.9 | G297 L298 R299 L305 | G297-K301 PolarHBondContact O-N 3.11Å; L298-K301 PolarHBondContact O-N 3.41Å; R299-K301 VanDerWaalsContact C-N 3.34Å; R299-K301 PolarHBondContact O-N 3.43Å; K301-L305 HydrophobicContact CD-CD1 4.37Å; K301-L305 HydrophobicContact CD-CG 4.39Å; K301-L305 HydrophobicContact CG-CD1 4.13Å; K301-L305 WeakPolarHBondContact O-CB 3.46Å; K301-L305 VanDerWaalsContact O-CG 3.27Å; K301-L305 WeakPolarHBondContact O-CG 3.18Å; K301-L305 PolarHBondContact O-N 3.45Å |
| 302 | I | 98.6 | Very high | 98.4 | Very high | 92 Ų | 92 | 100.2 Ų | 100.2 | 47% | 0.472 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.2 | -50.6 | 175 | -70.1 | 163.9 | 0 | 0 | 0 | 109.5 | L298 R299 G300 D304 L305 E306 | L298-I302 VanDerWaalsContact O-CG1 3.28Å; L298-I302 WeakPolarHBondContact O-CG1 3.43Å; L298-I302 PolarHBondContact O-N 2.94Å; R299-I302 PolarHBondContact O-N 2.81Å; G300-I302 PolarHBondContact O-N 3.27Å; I302-D304 VanDerWaalsContact C-N 3.34Å; I302-D304 PolarHBondContact O-N 3.46Å; I302-L305 PolarHBondContact O-N 2.85Å; I302-E306 HydrophobicContact CG2-CG 4.22Å; I302-E306 WeakPolarHBondContact O-CB 3Å; I302-E306 WeakPolarHBondContact O-CG 3.45Å; I302-E306 PolarHBondContact O-N 3.42Å |
| 303 | F | 98.6 | Very high | 98.4 | Very high | 121 Ų | 121 | 99 Ų | 99 | 53% | 0.531 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -57 | -45.2 | 179.6 | 179.4 | -102.9 | 0 | 0 | 0 | 112.6 | R299 G300 E306 N307 | R299-F303 WeakPolarHBondContact O-CB 3.44Å; R299-F303 PolarHBondContact O-N 3.46Å; G300-F303 PolarHBondContact O-N 3.49Å; F303-E306 PolarHBondContact O-N 3.12Å; F303-N307 VanDerWaalsContact CD1-ND2 3.35Å; F303-N307 WeakPolarHBondContact CD1-ND2 3.25Å; F303-N307 WeakPolarHBondContact CE1-ND2 3.43Å; F303-N307 WeakPolarHBondContact CZ-ND2 3.25Å; F303-N307 WeakPolarHBondContact O-CB 3.48Å; F303-N307 PolarHBondContact O-N 3.01Å; F303-N307 PolarHBondContact O-ND2 2.9Å; F303-N307 VanDerWaalsContact O-ND2 3.13Å |
| 304 | D | 98.5 | Very high | 98.3 | Very high | 99 Ų | 99 | 94.6 Ų | 94.6 | 53% | 0.529 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 177.7 | -73.9 | -19.2 | 0 | 0 | 0 | 112.5 | G300 I302 N307 H308 | G300-D304 PolarHBondContact O-N 3.18Å; I302-D304 VanDerWaalsContact C-N 3.34Å; I302-D304 PolarHBondContact O-N 3.46Å; D304-N307 PolarHBondContact O-N 3.42Å; D304-H308 WeakPolarHBondContact O-CB 3.28Å; D304-H308 PolarHBondContact O-N 3.15Å |
| 305 | L | 98.6 | Very high | 98.2 | Very high | 88 Ų | 88 | 92.9 Ų | 92.9 | 46% | 0.461 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.3 | -43 | 178.1 | -73.8 | 173.2 | 0 | 0 | 0 | 111.5 | K301 I302 N307 H308 V309 | K301-L305 HydrophobicContact CD-CD1 4.37Å; K301-L305 HydrophobicContact CD-CG 4.39Å; K301-L305 HydrophobicContact CG-CD1 4.13Å; K301-L305 WeakPolarHBondContact O-CB 3.46Å; K301-L305 VanDerWaalsContact O-CG 3.27Å; K301-L305 WeakPolarHBondContact O-CG 3.18Å; K301-L305 PolarHBondContact O-N 3.45Å; I302-L305 PolarHBondContact O-N 2.85Å; L305-N307 VanDerWaalsContact C-N 3.33Å; L305-N307 PolarHBondContact O-N 3.46Å; L305-H308 WeakPolarHBondContact O-CB 3.27Å; L305-H308 PolarHBondContact O-N 2.77Å; L305-V309 WeakPolarHBondContact O-CG2 3.44Å; L305-V309 PolarHBondContact O-N 2.84Å |
| 306 | E | 98.4 | Very high | 98 | Very high | 102 Ų | 102 | 93.8 Ų | 93.8 | 48% | 0.477 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.5 | -42.8 | 175.4 | -73.6 | 178.5 | 169 | 0 | 0 | 111.7 | I302 F303 H308 V309 R310 | I302-E306 HydrophobicContact CG2-CG 4.22Å; I302-E306 WeakPolarHBondContact O-CB 3Å; I302-E306 WeakPolarHBondContact O-CG 3.45Å; I302-E306 PolarHBondContact O-N 3.42Å; F303-E306 PolarHBondContact O-N 3.12Å; E306-H308 VanDerWaalsContact C-N 3.32Å; E306-H308 PolarHBondContact O-N 2.91Å; E306-V309 PolarHBondContact O-N 3.39Å; E306-R310 WeakPolarHBondContact O-CB 3.35Å; E306-R310 PolarHBondContact O-N 3.27Å |
| 307 | N | 98.3 | Very high | 97.7 | Very high | 41 Ų | 41 | 92.1 Ų | 92.1 | 22% | 0.219 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -64.9 | -37.5 | 175.4 | -71.2 | -29.6 | 0 | 0 | 0 | 112.2 | F303 D304 L305 R310 R311 | F303-N307 VanDerWaalsContact CD1-ND2 3.35Å; F303-N307 WeakPolarHBondContact CD1-ND2 3.25Å; F303-N307 WeakPolarHBondContact CE1-ND2 3.43Å; F303-N307 WeakPolarHBondContact CZ-ND2 3.25Å; F303-N307 WeakPolarHBondContact O-CB 3.48Å; F303-N307 PolarHBondContact O-N 3.01Å; F303-N307 PolarHBondContact O-ND2 2.9Å; F303-N307 VanDerWaalsContact O-ND2 3.13Å; D304-N307 PolarHBondContact O-N 3.42Å; L305-N307 VanDerWaalsContact C-N 3.33Å; L305-N307 PolarHBondContact O-N 3.46Å; N307-R310 PolarHBondContact OD1-NH1 2.91Å; N307-R311 WeakPolarHBondContact O-CB 3.19Å; N307-R311 PolarHBondContact O-N 2.89Å; N307-R311 VanDerWaalsContact O-N 3.13Å |
| 308 | H | 98.4 | Very high | 97.4 | Very high | 94 Ų | 94 | 94.3 Ų | 94.3 | 44% | 0.435 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.6 | -47.7 | 176 | -169 | 76.5 | 0 | 0 | 0 | 111.4 | D304 L305 E306 R310 R311 L312 | D304-H308 WeakPolarHBondContact O-CB 3.28Å; D304-H308 PolarHBondContact O-N 3.15Å; L305-H308 WeakPolarHBondContact O-CB 3.27Å; L305-H308 PolarHBondContact O-N 2.77Å; E306-H308 VanDerWaalsContact C-N 3.32Å; E306-H308 PolarHBondContact O-N 2.91Å; H308-R310 PolarHBondContact O-N 3.44Å; H308-R311 WeakPolarHBondContact O-CB 3.34Å; H308-R311 PolarHBondContact O-N 3.43Å; H308-L312 WeakPolarHBondContact NE2-CD1 3.47Å; H308-L312 WeakPolarHBondContact O-CG 3.49Å; H308-L312 PolarHBondContact O-N 2.93Å |
| 309 | V | 98.4 | Very high | 97.1 | Very high | 70 Ų | 70 | 93.9 Ų | 93.9 | 42% | 0.424 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -57.5 | -49.9 | 175.5 | 169.2 | 0 | 0 | 0 | 0 | 110.4 | L305 E306 R311 L312 E313 | L305-V309 WeakPolarHBondContact O-CG2 3.44Å; L305-V309 PolarHBondContact O-N 2.84Å; E306-V309 PolarHBondContact O-N 3.39Å; V309-R311 VanDerWaalsContact C-N 3.26Å; V309-R311 PolarHBondContact O-N 3.46Å; V309-L312 CarbonylContact O-C 3.59Å; V309-L312 PolarHBondContact O-N 3.2Å; V309-L312 VanDerWaalsContact O-N 3.12Å; V309-E313 HydrophobicContact CG1-CG 4.11Å; V309-E313 WeakPolarHBondContact CG1-OE1 3.48Å; V309-E313 WeakPolarHBondContact O-CB 3.34Å; V309-E313 VanDerWaalsContact O-CG 3.32Å; V309-E313 WeakPolarHBondContact O-CG 3.3Å; V309-E313 PolarHBondContact O-N 2.86Å |
| 310 | R | 98.1 | Very high | 96.7 | Very high | 136 Ų | 136 | 91.9 Ų | 91.9 | 51% | 0.513 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -57.9 | -39.4 | 179.7 | -166.8 | -174.9 | -56 | 111.9 | 5.5 | 112.5 | E306 N307 H308 A314 | E306-R310 WeakPolarHBondContact O-CB 3.35Å; E306-R310 PolarHBondContact O-N 3.27Å; N307-R310 PolarHBondContact OD1-NH1 2.91Å; H308-R310 PolarHBondContact O-N 3.44Å; R310-A314 WeakPolarHBondContact O-CB 3.45Å; R310-A314 PolarHBondContact O-N 2.98Å |
| 311 | R | 98 | Very high | 96.2 | Very high | 148 Ų | 148 | 99.2 Ų | 99.2 | 56% | 0.558 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -65.9 | -48.9 | 176 | -169.3 | -165 | -39.5 | -141.8 | -0.5 | 111.2 | N307 H308 V309 E313 A314 E315 | N307-R311 WeakPolarHBondContact O-CB 3.19Å; N307-R311 PolarHBondContact O-N 2.89Å; N307-R311 VanDerWaalsContact O-N 3.13Å; H308-R311 WeakPolarHBondContact O-CB 3.34Å; H308-R311 PolarHBondContact O-N 3.43Å; V309-R311 VanDerWaalsContact C-N 3.26Å; V309-R311 PolarHBondContact O-N 3.46Å; R311-E313 VanDerWaalsContact C-N 3.3Å; R311-E313 PolarHBondContact O-N 3.25Å; R311-A314 WeakPolarHBondContact O-CB 3.3Å; R311-A314 PolarHBondContact O-N 3.46Å; R311-E315 WeakPolarHBondContact CG-OE1 3.25Å; R311-E315 WeakPolarHBondContact O-CG 3.31Å; R311-E315 PolarHBondContact O-N 2.94Å |
| 312 | L | 98.2 | Very high | 95.7 | Very high | 81 Ų | 81 | 98.4 Ų | 98.4 | 42% | 0.424 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.5 | -38.8 | 177.4 | -71.7 | 179.6 | 0 | 0 | 0 | 111.8 | H308 V309 E315 N316 | H308-L312 WeakPolarHBondContact NE2-CD1 3.47Å; H308-L312 WeakPolarHBondContact O-CG 3.49Å; H308-L312 PolarHBondContact O-N 2.93Å; V309-L312 CarbonylContact O-C 3.59Å; V309-L312 PolarHBondContact O-N 3.2Å; V309-L312 VanDerWaalsContact O-N 3.12Å; L312-E315 PolarHBondContact O-N 3.41Å; L312-N316 WeakPolarHBondContact O-CB 3.47Å; L312-N316 PolarHBondContact O-N 3.48Å |
| 313 | E | 97.1 | Very high | 95.2 | Very high | 122 Ų | 122 | 96.7 Ų | 96.7 | 57% | 0.57 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -63.7 | -42 | 175.1 | -74.8 | 175.4 | 164.3 | 0 | 0 | 111.7 | V309 R311 N316 S317 | V309-E313 HydrophobicContact CG1-CG 4.11Å; V309-E313 WeakPolarHBondContact CG1-OE1 3.48Å; V309-E313 WeakPolarHBondContact O-CB 3.34Å; V309-E313 VanDerWaalsContact O-CG 3.32Å; V309-E313 WeakPolarHBondContact O-CG 3.3Å; V309-E313 PolarHBondContact O-N 2.86Å; R311-E313 VanDerWaalsContact C-N 3.3Å; R311-E313 PolarHBondContact O-N 3.25Å; E313-N316 PolarHBondContact O-N 3.29Å; E313-S317 WeakPolarHBondContact O-CB 3.38Å; E313-S317 PolarHBondContact O-N 3.49Å |
| 314 | A | 96.4 | Very high | 94.4 | Very high | 50 Ų | 50 | 95.1 Ų | 95.1 | 41% | 0.413 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.5 | -49.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | R310 R311 N316 S317 I318 | R310-A314 WeakPolarHBondContact O-CB 3.45Å; R310-A314 PolarHBondContact O-N 2.98Å; R311-A314 WeakPolarHBondContact O-CB 3.3Å; R311-A314 PolarHBondContact O-N 3.46Å; A314-N316 PolarHBondContact O-N 2.95Å; A314-S317 PolarHBondContact O-N 3.19Å; A314-S317 PolarHBondContact O-OG 3.24Å; A314-I318 WeakPolarHBondContact O-CG1 3.37Å; A314-I318 PolarHBondContact O-N 3.02Å |
| 315 | E | 96.1 | Very high | 93.6 | Very high | 96 Ų | 96 | 96 Ų | 96 | 45% | 0.449 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58.7 | -47.2 | 175.9 | -71.6 | 172.9 | -160.6 | 0 | 0 | 111.3 | R311 L312 S317 I318 L319 | R311-E315 WeakPolarHBondContact CG-OE1 3.25Å; R311-E315 WeakPolarHBondContact O-CG 3.31Å; R311-E315 PolarHBondContact O-N 2.94Å; L312-E315 PolarHBondContact O-N 3.41Å; E315-S317 VanDerWaalsContact C-N 3.35Å; E315-S317 PolarHBondContact O-N 3.33Å; E315-I318 WeakPolarHBondContact O-CB 3.43Å; E315-I318 PolarHBondContact O-N 2.88Å; E315-L319 WeakPolarHBondContact O-CG 3.35Å; E315-L319 PolarHBondContact O-N 3.12Å |
| 316 | N | 94.4 | Very high | 92.7 | Very high | 77 Ų | 77 | 97 Ų | 97 | 41% | 0.412 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 179.4 | -166.4 | -52 | 0 | 0 | 0 | 111.3 | L312 E313 A314 I318 L319 K320 | L312-N316 WeakPolarHBondContact O-CB 3.47Å; L312-N316 PolarHBondContact O-N 3.48Å; E313-N316 PolarHBondContact O-N 3.29Å; A314-N316 PolarHBondContact O-N 2.95Å; N316-I318 VanDerWaalsContact C-N 3.3Å; N316-I318 PolarHBondContact O-N 3.2Å; N316-L319 PolarHBondContact O-N 3.35Å; N316-K320 WeakPolarHBondContact O-CB 3.37Å; N316-K320 WeakPolarHBondContact O-CG 2.98Å; N316-K320 PolarHBondContact O-N 3.35Å; N316-K320 VanDerWaalsContact OD1-CD 3.22Å; N316-K320 WeakPolarHBondContact OD1-CD 3.47Å; N316-K320 WeakPolarHBondContact OD1-CE 3.39Å; N316-K320 WeakPolarHBondContact OD1-CG 3.42Å; N316-K320 PolarHBondContact OD1-NZ 3.35Å |
| 317 | S | 92.6 | Very high | 91.9 | Very high | 47 Ų | 47 | 95.4 Ų | 95.4 | 33% | 0.329 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.5 | -30 | 177.3 | 101.5 | 0 | 0 | 0 | 0 | 112.5 | E313 A314 E315 R321 | E313-S317 WeakPolarHBondContact O-CB 3.38Å; E313-S317 PolarHBondContact O-N 3.49Å; A314-S317 PolarHBondContact O-N 3.19Å; A314-S317 PolarHBondContact O-OG 3.24Å; E315-S317 VanDerWaalsContact C-N 3.35Å; E315-S317 PolarHBondContact O-N 3.33Å; S317-R321 VanDerWaalsContact O-CG 3.31Å; S317-R321 WeakPolarHBondContact O-CG 3.42Å; S317-R321 PolarHBondContact O-N 2.84Å; S317-R321 PolarHBondContact O-NE 3.05Å; S317-R321 PolarHBondContact OG-NH2 3.13Å |
| 318 | I | 93.1 | Very high | 91 | Very high | 91 Ų | 91 | 94.8 Ų | 94.8 | 47% | 0.467 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.3 | -51 | 171.2 | -67.3 | 165.2 | 0 | 0 | 0 | 109.3 | A314 E315 N316 K320 R321 T322 | A314-I318 WeakPolarHBondContact O-CG1 3.37Å; A314-I318 PolarHBondContact O-N 3.02Å; E315-I318 WeakPolarHBondContact O-CB 3.43Å; E315-I318 PolarHBondContact O-N 2.88Å; N316-I318 VanDerWaalsContact C-N 3.3Å; N316-I318 PolarHBondContact O-N 3.2Å; I318-K320 VanDerWaalsContact C-N 3.33Å; I318-K320 PolarHBondContact O-N 2.98Å; I318-R321 WeakPolarHBondContact O-CB 3.22Å; I318-R321 PolarHBondContact O-N 3.11Å; I318-T322 PolarHBondContact O-N 2.99Å; I318-T322 PolarHBondContact O-OG1 3.41Å |
| 319 | L | 92.6 | Very high | 90.2 | Very high | 100 Ų | 100 | 95.9 Ų | 95.9 | 52% | 0.524 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57 | -45.4 | 179.5 | -70 | 170.8 | 0 | 0 | 0 | 111.8 | E315 N316 R321 T322 I323 | E315-L319 WeakPolarHBondContact O-CG 3.35Å; E315-L319 PolarHBondContact O-N 3.12Å; N316-L319 PolarHBondContact O-N 3.35Å; L319-R321 PolarHBondContact O-N 3.04Å; L319-T322 PolarHBondContact O-N 2.87Å; L319-T322 VanDerWaalsContact O-N 3.15Å; L319-I323 HydrophobicContact CB-CD1 4.25Å; L319-I323 WeakPolarHBondContact O-CB 3.44Å; L319-I323 WeakPolarHBondContact O-CD1 3.3Å; L319-I323 WeakPolarHBondContact O-CG1 3.47Å; L319-I323 PolarHBondContact O-N 3.35Å |
| 320 | K | 89.4 | Confident | 89.2 | Confident | 119 Ų | 119 | 98.5 Ų | 98.5 | 52% | 0.517 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.9 | -32.8 | 176 | -77.2 | 176.9 | 170.4 | 168.9 | 0 | 113.3 | N316 I318 L328 | N316-K320 WeakPolarHBondContact O-CB 3.37Å; N316-K320 WeakPolarHBondContact O-CG 2.98Å; N316-K320 PolarHBondContact O-N 3.35Å; N316-K320 VanDerWaalsContact OD1-CD 3.22Å; N316-K320 WeakPolarHBondContact OD1-CD 3.47Å; N316-K320 WeakPolarHBondContact OD1-CE 3.39Å; N316-K320 WeakPolarHBondContact OD1-CG 3.42Å; N316-K320 PolarHBondContact OD1-NZ 3.35Å; I318-K320 VanDerWaalsContact C-N 3.33Å; I318-K320 PolarHBondContact O-N 2.98Å; K320-L328 HydrophobicContact CB-CD1 4.23Å; K320-L328 HydrophobicContact CG-CD1 4.18Å |
| 321 | R | 87.5 | Confident | 88.3 | Confident | 187 Ų | 187 | 96.3 Ų | 96.3 | 71% | 0.706 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -78.6 | -30.8 | 176.5 | -76.1 | -179.1 | -85.5 | 159.9 | -12.8 | 112.7 | S317 I318 L319 | S317-R321 VanDerWaalsContact O-CG 3.31Å; S317-R321 WeakPolarHBondContact O-CG 3.42Å; S317-R321 PolarHBondContact O-N 2.84Å; S317-R321 PolarHBondContact O-NE 3.05Å; S317-R321 PolarHBondContact OG-NH2 3.13Å; I318-R321 WeakPolarHBondContact O-CB 3.22Å; I318-R321 PolarHBondContact O-N 3.11Å; L319-R321 PolarHBondContact O-N 3.04Å |
| 322 | T | 88.2 | Confident | 87.4 | Confident | 106 Ų | 106 | 94.8 Ų | 94.8 | 65% | 0.65 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -87.5 | -28.2 | -176.4 | -52.9 | 0 | 0 | 0 | 0 | 112.8 | I318 L319 | I318-T322 PolarHBondContact O-N 2.99Å; I318-T322 PolarHBondContact O-OG1 3.41Å; L319-T322 PolarHBondContact O-N 2.87Å; L319-T322 VanDerWaalsContact O-N 3.15Å |
| 323 | I | 87.4 | Confident | 86.4 | Confident | 56 Ų | 56 | 98 Ų | 98 | 29% | 0.287 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -78.4 | 131.6 | -178.6 | -66 | 165.2 | 0 | 0 | 0 | 110.1 | L319 N325 T327 L328 | L319-I323 HydrophobicContact CB-CD1 4.25Å; L319-I323 WeakPolarHBondContact O-CB 3.44Å; L319-I323 WeakPolarHBondContact O-CD1 3.3Å; L319-I323 WeakPolarHBondContact O-CG1 3.47Å; L319-I323 PolarHBondContact O-N 3.35Å; I323-N325 PolarHBondContact O-N 3.01Å; I323-T327 HydrophobicContact CG2-CG2 4.12Å; I323-L328 HydrophobicContact CG2-CB 4.19Å |
| 324 | P | 83.5 | Confident | 85.1 | Confident | 87 Ų | 87 | 100.7 Ų | 100.7 | 57% | 0.565 | 51% | 0.512 | S | S | * | . | | | trans | -55.8 | 138 | 173.7 | -25.1 | 33.7 | 0 | 0 | 0 | 112.3 | D326 T327 L328 | P324-D326 PolarHBondContact O-N 2.78Å; P324-D326 VanDerWaalsContact O-N 3.09Å; P324-T327 PolarHBondContact O-N 3.48Å; P324-L328 PolarHBondContact O-N 3.31Å; P324-L328 VanDerWaalsContact O-N 3.09Å |
| 325 | N | 81.3 | Confident | 83.1 | Confident | 118 Ų | 118 | 108.2 Ų | 108.2 | 63% | 0.631 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -54.1 | -34.1 | -175.2 | -79.1 | -69.9 | 0 | 0 | 0 | 113.8 | I323 L328 K329 | I323-N325 PolarHBondContact O-N 3.01Å; N325-L328 PolarHBondContact O-N 3.37Å; N325-K329 VanDerWaalsContact O-CG 3.26Å; N325-K329 WeakPolarHBondContact O-CG 3.47Å; N325-K329 PolarHBondContact O-N 3.45Å |
| 326 | D | 79.5 | Confident | 82.5 | Confident | 110 Ų | 110 | 108.9 Ų | 108.9 | 59% | 0.588 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -70.4 | -38.8 | -179.6 | -64.1 | -28.2 | 0 | 0 | 0 | 112.3 | P324 K329 Q330 | P324-D326 PolarHBondContact O-N 2.78Å; P324-D326 VanDerWaalsContact O-N 3.09Å; D326-K329 IonicContact OD1-NZ 3.59Å; D326-Q330 WeakPolarHBondContact O-CG 3.45Å; D326-Q330 PolarHBondContact O-N 3.06Å; D326-Q330 VanDerWaalsContact O-N 3.17Å |
| 327 | T | 80.9 | Confident | 81.9 | Confident | 67 Ų | 67 | 110.5 Ų | 110.5 | 41% | 0.411 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.4 | -40.3 | 172.9 | -49.4 | 0 | 0 | 0 | 0 | 111 | I323 P324 K329 Q330 L331 | I323-T327 HydrophobicContact CG2-CG2 4.12Å; P324-T327 PolarHBondContact O-N 3.48Å; T327-K329 PolarHBondContact O-N 3.18Å; T327-Q330 PolarHBondContact O-N 3.42Å; T327-L331 WeakPolarHBondContact O-CG 3.29Å; T327-L331 PolarHBondContact O-N 3.3Å; T327-L331 VanDerWaalsContact O-N 3.08Å |
| 328 | L | 80.3 | Confident | 81.3 | Confident | 28 Ų | 28 | 114.1 Ų | 114.1 | 15% | 0.147 | 57% | 0.569 | C | S | . | * | H | α-helix | trans | -64.5 | -40.6 | 179.2 | -164.5 | 147.3 | 0 | 0 | 0 | 111.8 | K320 I323 P324 N325 L331 H332 | K320-L328 HydrophobicContact CB-CD1 4.23Å; K320-L328 HydrophobicContact CG-CD1 4.18Å; I323-L328 HydrophobicContact CG2-CB 4.19Å; P324-L328 PolarHBondContact O-N 3.31Å; P324-L328 VanDerWaalsContact O-N 3.09Å; N325-L328 PolarHBondContact O-N 3.37Å; L328-L331 PolarHBondContact O-N 3.22Å; L328-H332 WeakPolarHBondContact CD2-CE1 3.2Å; L328-H332 PolarHBondContact O-N 3.34Å |
| 329 | K | 80.6 | Confident | 80.6 | Confident | 118 Ų | 118 | 115.4 Ų | 115.4 | 51% | 0.513 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -61.9 | -42.6 | 172.6 | -71.4 | 167.7 | -169.8 | 167.1 | 0 | 112.5 | N325 D326 T327 L331 H332 L333 | N325-K329 VanDerWaalsContact O-CG 3.26Å; N325-K329 WeakPolarHBondContact O-CG 3.47Å; N325-K329 PolarHBondContact O-N 3.45Å; D326-K329 IonicContact OD1-NZ 3.59Å; T327-K329 PolarHBondContact O-N 3.18Å; K329-L331 VanDerWaalsContact C-N 3.27Å; K329-L331 PolarHBondContact O-N 3.32Å; K329-H332 PolarHBondContact O-N 3.37Å; K329-L333 WeakPolarHBondContact O-CD1 3.44Å; K329-L333 PolarHBondContact O-N 3.37Å; K329-L333 VanDerWaalsContact O-N 3.08Å |
| 330 | Q | 78.8 | Confident | 79.8 | Confident | 125 Ų | 125 | 116.4 Ų | 116.4 | 58% | 0.584 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -63.9 | -32.4 | 177 | -72.3 | -177.9 | 13.9 | 0 | 0 | 112.8 | D326 T327 K334 | D326-Q330 WeakPolarHBondContact O-CG 3.45Å; D326-Q330 PolarHBondContact O-N 3.06Å; D326-Q330 VanDerWaalsContact O-N 3.17Å; T327-Q330 PolarHBondContact O-N 3.42Å; Q330-K334 WeakPolarHBondContact O-CG 3.21Å |
| 331 | L | 78.7 | Confident | 79.2 | Confident | 89 Ų | 89 | 116.2 Ų | 116.2 | 47% | 0.466 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -72.3 | -41.4 | 174.3 | -67.9 | 172.4 | 0 | 0 | 0 | 111.8 | T327 L328 K329 L333 K334 | T327-L331 WeakPolarHBondContact O-CG 3.29Å; T327-L331 PolarHBondContact O-N 3.3Å; T327-L331 VanDerWaalsContact O-N 3.08Å; L328-L331 PolarHBondContact O-N 3.22Å; K329-L331 VanDerWaalsContact C-N 3.27Å; K329-L331 PolarHBondContact O-N 3.32Å; L331-L333 VanDerWaalsContact C-N 3.26Å; L331-L333 PolarHBondContact O-N 3.49Å; L331-K334 PolarHBondContact O-N 3.33Å; L331-K334 VanDerWaalsContact O-N 3.14Å |
| 332 | H | 78.1 | Confident | 78.6 | Confident | 117 Ų | 117 | 111.1 Ų | 111.1 | 54% | 0.542 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.9 | -26.8 | 176.2 | -72.1 | -178.3 | 0 | 0 | 0 | 113.7 | L328 K329 K334 | L328-H332 WeakPolarHBondContact CD2-CE1 3.2Å; L328-H332 PolarHBondContact O-N 3.34Å; K329-H332 PolarHBondContact O-N 3.37Å; H332-K334 VanDerWaalsContact C-N 3.27Å; H332-K334 PolarHBondContact O-N 3.24Å |
| 333 | L | 77.9 | Confident | 77.9 | Confident | 148 Ų | 148 | 111.5 Ų | 111.5 | 78% | 0.775 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -10 | 175.4 | -79.3 | 155.8 | 0 | 0 | 0 | 113.7 | K329 L331 | K329-L333 WeakPolarHBondContact O-CD1 3.44Å; K329-L333 PolarHBondContact O-N 3.37Å; K329-L333 VanDerWaalsContact O-N 3.08Å; L331-L333 VanDerWaalsContact C-N 3.26Å; L331-L333 PolarHBondContact O-N 3.49Å |
| 334 | K | 68.8 | Low | 77.1 | Confident | 179 Ų | 179 | 116.2 Ų | 116.2 | 78% | 0.778 | 59% | 0.591 | S | S | * | * | | | trans | -110.3 | -4.8 | -174 | -76.7 | -177 | 175.7 | 178.4 | 0 | 114.6 | Q330 L331 H332 | Q330-K334 WeakPolarHBondContact O-CG 3.21Å; L331-K334 PolarHBondContact O-N 3.33Å; L331-K334 VanDerWaalsContact O-N 3.14Å; H332-K334 VanDerWaalsContact C-N 3.27Å; H332-K334 PolarHBondContact O-N 3.24Å |
| 335 | L | 56.2 | Low | 76.5 | Confident | 208 Ų | 208 | 118.8 Ų | 118.8 | 100% | 1.089 | 59% | 0.593 | S | S | * | * | | | trans | -105.8 | 0 | 178.4 | -96.3 | 148.6 | 0 | 0 | 0 | 110.1 | | |