| 1 | M | 55.2 | Low | 59.1 | Low | 208 Ų | 208 | 139.9 Ų | 139.9 | 100% | 1.025 | 70% | 0.699 | S | S | * | * | | | | 0 | -35 | 0 | -82.6 | -165.5 | -88.2 | 0 | 0 | 113.6 | Q3 R4 | M1-Q3 PolarHBondContact O-N 2.92Å; M1-R4 PolarHBondContact O-N 2.85Å |
| 2 | F | 55.1 | Low | 58.7 | Low | 175 Ų | 175 | 144.2 Ų | 144.2 | 77% | 0.768 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -70.8 | -24.5 | -178.3 | -61.5 | -77.4 | 0 | 0 | 0 | 116 | R4 L5 N6 | F2-R4 VanDerWaalsContact C-N 3.3Å; F2-R4 PolarHBondContact O-N 3.18Å; F2-L5 PolarHBondContact O-N 2.8Å; F2-N6 PolarHBondContact O-N 3.04Å |
| 3 | Q | 59.8 | Low | 58.4 | Low | 175 Ų | 175 | 143.4 Ų | 143.4 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -67.8 | -30.2 | 175.7 | -67.2 | -179.9 | 8.6 | 0 | 0 | 112.7 | M1 L5 N6 S7 | M1-Q3 PolarHBondContact O-N 2.92Å; Q3-L5 VanDerWaalsContact C-N 3.34Å; Q3-N6 PolarHBondContact O-N 2.78Å; Q3-S7 PolarHBondContact O-N 3.15Å; Q3-S7 PolarHBondContact O-OG 2.93Å |
| 4 | R | 63.7 | Low | 58.1 | Low | 210 Ų | 210 | 145.3 Ų | 145.3 | 79% | 0.792 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -72.6 | -27.2 | 177.8 | -167.6 | 175.6 | -174.1 | 173.1 | 2.3 | 112.8 | M1 F2 S7 | M1-R4 PolarHBondContact O-N 2.85Å; F2-R4 VanDerWaalsContact C-N 3.3Å; F2-R4 PolarHBondContact O-N 3.18Å; R4-S7 PolarHBondContact O-OG 2.66Å |
| 5 | L | 62 | Low | 57.7 | Low | 94 Ų | 94 | 140.1 Ų | 140.1 | 49% | 0.492 | 73% | 0.725 | S | S | . | * | H | α-helix | trans | -75.8 | -42.7 | 173.2 | -67.4 | 173 | 0 | 0 | 0 | 110.3 | F2 Q3 S7 M8 F9 | F2-L5 PolarHBondContact O-N 2.8Å; Q3-L5 VanDerWaalsContact C-N 3.34Å; L5-S7 VanDerWaalsContact C-N 3.31Å; L5-S7 PolarHBondContact O-N 3.12Å; L5-M8 PolarHBondContact O-N 3.24Å; L5-F9 WeakPolarHBondContact O-CD2 3.21Å; L5-F9 PolarHBondContact O-N 2.99Å |
| 6 | N | 57.8 | Low | 57 | Low | 111 Ų | 111 | 142 Ų | 142 | 59% | 0.594 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -61 | -38.5 | 178.3 | -120.7 | -43.1 | 0 | 0 | 0 | 112.6 | F2 Q3 M8 F9 M10 | F2-N6 PolarHBondContact O-N 3.04Å; Q3-N6 PolarHBondContact O-N 2.78Å; N6-M8 VanDerWaalsContact C-N 3.28Å; N6-M8 PolarHBondContact O-N 2.96Å; N6-F9 PolarHBondContact O-N 2.95Å; N6-M10 WeakPolarHBondContact O-CB 3.16Å; N6-M10 PolarHBondContact O-N 3.24Å |
| 7 | S | 61.3 | Low | 56.4 | Low | 75 Ų | 75 | 140.2 Ų | 140.2 | 52% | 0.524 | 74% | 0.738 | S | S | . | * | H | α-helix | trans | -68.9 | -22.1 | 175.2 | 61 | 0 | 0 | 0 | 0 | 114.2 | Q3 R4 L5 G11 | Q3-S7 PolarHBondContact O-N 3.15Å; Q3-S7 PolarHBondContact O-OG 2.93Å; R4-S7 PolarHBondContact O-OG 2.66Å; L5-S7 VanDerWaalsContact C-N 3.31Å; L5-S7 PolarHBondContact O-N 3.12Å; S7-G11 WeakPolarHBondContact O-CA 2.96Å; S7-G11 PolarHBondContact O-N 3.44Å |
| 8 | M | 60.4 | Low | 56.1 | Low | 143 Ų | 143 | 139.4 Ų | 139.4 | 70% | 0.704 | 75% | 0.746 | S | S | * | * | H | α-helix | trans | -82.8 | -21.3 | 177.9 | -150.4 | 179.2 | 79.9 | 0 | 0 | 112.2 | L5 N6 | L5-M8 PolarHBondContact O-N 3.24Å; N6-M8 VanDerWaalsContact C-N 3.28Å; N6-M8 PolarHBondContact O-N 2.96Å |
| 9 | F | 59.5 | Low | 55.8 | Low | 154 Ų | 154 | 141.6 Ų | 141.6 | 68% | 0.675 | 75% | 0.751 | S | S | * | * | H | α-helix | trans | -99.5 | -24 | 177.6 | -78 | -79.4 | 0 | 0 | 0 | 113.7 | L5 N6 | L5-F9 WeakPolarHBondContact O-CD2 3.21Å; L5-F9 PolarHBondContact O-N 2.99Å; N6-F9 PolarHBondContact O-N 2.95Å |
| 10 | M | 60.3 | Low | 55.2 | Low | 130 Ų | 130 | 143.3 Ų | 143.3 | 64% | 0.64 | 76% | 0.755 | S | S | * | * | H | α-helix | trans | -116.3 | 2.7 | -176 | -68.3 | -77.7 | 119.7 | 0 | 0 | 114.1 | N6 | N6-M10 WeakPolarHBondContact O-CB 3.16Å; N6-M10 PolarHBondContact O-N 3.24Å |
| 11 | G | 54.9 | Low | 55.2 | Low | 64 Ų | 64 | 141.3 Ų | 141.3 | 66% | 0.66 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -88.9 | 5.5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | S7 | S7-G11 WeakPolarHBondContact O-CA 2.96Å; S7-G11 PolarHBondContact O-N 3.44Å |
| 12 | E | 54.1 | Low | 54.8 | Low | 191 Ų | 191 | 140 Ų | 140 | 89% | 0.893 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -145.5 | 59.4 | -174.6 | -159.6 | 169.7 | -162.6 | 0 | 0 | 112 | | |
| 13 | I | 55.2 | Low | 54.1 | Low | 134 Ų | 134 | 141 Ų | 141 | 69% | 0.687 | 75% | 0.746 | S | S | * | * | | | trans | -123.1 | -4.8 | 168.2 | 57.2 | 165.1 | 0 | 0 | 0 | 114.1 | G15 | I13-G15 VanDerWaalsContact C-N 3.28Å; I13-G15 PolarHBondContact O-N 3.09Å; I13-G15 VanDerWaalsContact O-N 3.09Å |
| 14 | D | 54.2 | Low | 53.8 | Low | 170 Ų | 170 | 135.4 Ų | 135.4 | 91% | 0.909 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | 51.8 | -179.4 | -72.5 | -26.1 | 0 | 0 | 0 | 113 | | |
| 15 | G | 52.6 | Low | 53.5 | Low | 68 Ų | 68 | 134 Ų | 134 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -169.1 | -1.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | I13 | I13-G15 VanDerWaalsContact C-N 3.28Å; I13-G15 PolarHBondContact O-N 3.09Å; I13-G15 VanDerWaalsContact O-N 3.09Å |
| 16 | L | 45.9 | Very low | 53.3 | Low | 170 Ų | 170 | 136.6 Ų | 136.6 | 89% | 0.89 | 74% | 0.736 | S | S | * | * | | | trans | -116.1 | 104.2 | 177.1 | -68.2 | 174 | 0 | 0 | 0 | 110.6 | | |
| 17 | S | 46.6 | Very low | 53.3 | Low | 111 Ų | 111 | 138.6 Ų | 138.6 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | | | trans | -22.8 | 128.3 | 158.2 | 178.1 | 0 | 0 | 0 | 0 | 112.6 | Q19 | S17-Q19 PolarHBondContact O-N 2.81Š|
| 18 | S | 50.5 | Low | 53.1 | Low | 126 Ų | 126 | 140.5 Ų | 140.5 | 88% | 0.881 | 75% | 0.746 | S | S | * | * | | | trans | -42.8 | 94.8 | 168.6 | -45.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 19 | Q | 50.7 | Low | 53.2 | Low | 181 Ų | 181 | 142.6 Ų | 142.6 | 85% | 0.846 | 75% | 0.754 | S | S | * | * | | | trans | -125.2 | 87.8 | 159.3 | -167.7 | 167 | 30.2 | 0 | 0 | 105.1 | S17 | S17-Q19 PolarHBondContact O-N 2.81Š|
| 20 | E | 44.6 | Very low | 53.7 | Low | 175 Ų | 175 | 144 Ų | 144 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | | | trans | -46.6 | 131.6 | 157.2 | -100.9 | 179.3 | 140 | 0 | 0 | 107.5 | E22 | E20-E22 VanDerWaalsContact C-N 3.28Å; E20-E22 PolarHBondContact O-N 3.09Å |
| 21 | P | 54.6 | Low | 54.4 | Low | 103 Ų | 103 | 148.6 Ų | 148.6 | 67% | 0.669 | 77% | 0.773 | S | S | * | * | | | trans | -63.2 | 101.6 | 160.1 | -3 | 17.9 | 0 | 0 | 0 | 105.8 | F23 | P21-F23 VanDerWaalsContact C-N 3.29Å; P21-F23 WeakPolarHBondContact O-CD2 3.25Å; P21-F23 PolarHBondContact O-N 2.94Å |
| 22 | E | 46.3 | Very low | 55.3 | Low | 179 Ų | 179 | 152.3 Ų | 152.3 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | | | trans | -63.3 | 96.1 | 168.7 | -168.1 | 177.8 | -161.4 | 0 | 0 | 106.4 | E20 S24 | E20-E22 VanDerWaalsContact C-N 3.28Å; E20-E22 PolarHBondContact O-N 3.09Å; E22-S24 PolarHBondContact O-N 2.94Å |
| 23 | F | 40.9 | Very low | 56.2 | Low | 197 Ų | 197 | 150.3 Ų | 150.3 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | | | trans | -63.8 | 90.2 | 165.4 | -72.9 | -86.2 | 0 | 0 | 0 | 106.8 | P21 E25 | P21-F23 VanDerWaalsContact C-N 3.29Å; P21-F23 WeakPolarHBondContact O-CD2 3.25Å; P21-F23 PolarHBondContact O-N 2.94Å; F23-E25 PolarHBondContact O-N 3.33Å; F23-E25 VanDerWaalsContact O-N 3.09Å |
| 24 | S | 54.6 | Low | 57.2 | Low | 58 Ų | 58 | 149.3 Ų | 149.3 | 41% | 0.406 | 77% | 0.771 | S | S | . | * | | | trans | -70.2 | 105 | 169.4 | 69.5 | 0 | 0 | 0 | 0 | 107.5 | E22 K26 | E22-S24 PolarHBondContact O-N 2.94Å; S24-K26 PolarHBondContact O-N 3.22Å; S24-K26 VanDerWaalsContact OG-CE 3.31Å; S24-K26 WeakPolarHBondContact OG-CE 3.33Å; S24-K26 WeakPolarHBondContact OG-CG 2.77Å |
| 25 | E | 55.9 | Low | 58.1 | Low | 179 Ų | 179 | 147.7 Ų | 147.7 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | | | trans | -64.9 | 47.9 | 172.3 | -169.7 | -167.8 | 163.2 | 0 | 0 | 111.8 | F23 | F23-E25 PolarHBondContact O-N 3.33Å; F23-E25 VanDerWaalsContact O-N 3.09Å |
| 26 | K | 59.3 | Low | 58.6 | Low | 150 Ų | 150 | 153.2 Ų | 153.2 | 65% | 0.652 | 77% | 0.768 | S | S | * | * | | | trans | -117.8 | 19 | -176.4 | 67.7 | 176.7 | 177.9 | 59.1 | 0 | 113.3 | S24 | S24-K26 PolarHBondContact O-N 3.22Å; S24-K26 VanDerWaalsContact OG-CE 3.31Å; S24-K26 WeakPolarHBondContact OG-CE 3.33Å; S24-K26 WeakPolarHBondContact OG-CG 2.77Å |
| 27 | E | 56.4 | Low | 59.6 | Low | 153 Ų | 153 | 151.4 Ų | 151.4 | 72% | 0.715 | 76% | 0.758 | S | S | * | * | | | trans | -124.6 | 41.1 | -175.4 | -66.1 | -177.3 | -172.4 | 0 | 0 | 112.3 | | |
| 28 | D | 58.4 | Low | 60.1 | Low | 115 Ų | 115 | 150.8 Ų | 150.8 | 62% | 0.615 | 75% | 0.749 | S | S | * | * | | | trans | -118.5 | 8.1 | 178 | -60.7 | -0.6 | 0 | 0 | 0 | 113.1 | W31 | D28-W31 PolarHBondContact O-NE1 2.79Š|
| 29 | E | 61.9 | Low | 60.4 | Low | 187 Ų | 187 | 150.8 Ų | 150.8 | 87% | 0.874 | 74% | 0.739 | S | S | * | * | | | trans | -99.5 | 5.8 | -175.2 | -64.6 | -173 | 177.4 | 0 | 0 | 114.4 | W31 | E29-W31 PolarHBondContact O-N 3.23Š|
| 30 | E | 69.1 | Low | 60.5 | Low | 184 Ų | 184 | 147.6 Ų | 147.6 | 86% | 0.86 | 73% | 0.732 | S | S | * | * | | | trans | -86.7 | 53.7 | 177.9 | -151.1 | 175.9 | -151.7 | 0 | 0 | 111.8 | I32 | E30-I32 PolarHBondContact O-N 2.9Š|
| 31 | W | 75.9 | Confident | 60.8 | Low | 225 Ų | 225 | 144.6 Ų | 144.6 | 85% | 0.852 | 73% | 0.729 | S | S | * | * | | | trans | -81.6 | 105.8 | 168 | -63.9 | 95.5 | 0 | 0 | 0 | 108.8 | D28 E29 L33 | D28-W31 PolarHBondContact O-NE1 2.79Å; E29-W31 PolarHBondContact O-N 3.23Å; W31-L33 PolarHBondContact O-N 3.31Å |
| 32 | I | 74.4 | Confident | 60.3 | Low | 142 Ų | 142 | 145 Ų | 145 | 73% | 0.728 | 73% | 0.73 | S | S | * | * | | | trans | -63.8 | 119.6 | 171.9 | -76.4 | 172.2 | 0 | 0 | 0 | 109.2 | E30 V34 | E30-I32 PolarHBondContact O-N 2.9Å; I32-V34 HydrophobicContact CG2-CG2 4.32Å; I32-V34 PolarHBondContact O-N 2.7Å |
| 33 | L | 71.8 | Confident | 60.2 | Low | 149 Ų | 149 | 143.2 Ų | 143.2 | 78% | 0.78 | 73% | 0.726 | S | S | * | * | | | trans | -71 | 111 | 164.3 | -119.9 | 78.3 | 0 | 0 | 0 | 107.7 | W31 D35 | W31-L33 PolarHBondContact O-N 3.31Å; L33-D35 PolarHBondContact O-N 3.14Å |
| 34 | V | 76.2 | Confident | 60.4 | Low | 113 Ų | 113 | 139.9 Ų | 139.9 | 69% | 0.685 | 73% | 0.726 | S | S | * | * | | | trans | -79.6 | 105.2 | 166.1 | -179.8 | 0 | 0 | 0 | 0 | 106.4 | I32 F36 | I32-V34 HydrophobicContact CG2-CG2 4.32Å; I32-V34 PolarHBondContact O-N 2.7Å; V34-F36 PolarHBondContact O-N 2.94Å |
| 35 | D | 73.3 | Confident | 59.9 | Low | 137 Ų | 137 | 142 Ų | 142 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | | | trans | -58.4 | 106.6 | 167.2 | -73.4 | -27.3 | 0 | 0 | 0 | 107.3 | L33 I37 | L33-D35 PolarHBondContact O-N 3.14Å; D35-I37 PolarHBondContact O-N 3Å; D35-I37 VanDerWaalsContact O-N 3.14Å |
| 36 | F | 62.8 | Low | 59 | Low | 184 Ų | 184 | 138.8 Ų | 138.8 | 81% | 0.807 | 73% | 0.734 | S | S | * | * | | | trans | -56.7 | 122.4 | 167.7 | -100.7 | -93.8 | 0 | 0 | 0 | 106.2 | V34 T38 | V34-F36 PolarHBondContact O-N 2.94Å; F36-T38 PolarHBondContact O-N 2.83Å; F36-T38 PolarHBondContact O-OG1 3.16Å |
| 37 | I | 66.8 | Low | 58.4 | Low | 132 Ų | 132 | 138.8 Ų | 138.8 | 68% | 0.677 | 74% | 0.736 | S | S | * | * | | | trans | -64.6 | 82.4 | 177.3 | -48.7 | 169.1 | 0 | 0 | 0 | 107.8 | D35 T40 | D35-I37 PolarHBondContact O-N 3Å; D35-I37 VanDerWaalsContact O-N 3.14Å; I37-T40 HydrophobicContact CG2-CG2 3.82Å; I37-T40 WeakPolarHBondContact CG2-OG1 2.86Å |
| 38 | T | 58.4 | Low | 58 | Low | 98 Ų | 98 | 140 Ų | 140 | 60% | 0.601 | 74% | 0.742 | S | S | * | * | | | trans | -80.9 | -3.4 | 164.7 | 41 | 0 | 0 | 0 | 0 | 111.6 | F36 T42 | F36-T38 PolarHBondContact O-N 2.83Å; F36-T38 PolarHBondContact O-OG1 3.16Å; T38-T42 PolarHBondContact O-OG1 3.24Å |
| 39 | D | 56.2 | Low | 57.1 | Low | 126 Ų | 126 | 138.6 Ų | 138.6 | 67% | 0.674 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | 5.8 | -172.1 | -66.3 | -3.9 | 0 | 0 | 0 | 114.2 | | |
| 40 | T | 53.3 | Low | 56.4 | Low | 113 Ų | 113 | 136.5 Ų | 136.5 | 69% | 0.693 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | 1.3 | 167.7 | 42.4 | 0 | 0 | 0 | 0 | 114.3 | I37 | I37-T40 HydrophobicContact CG2-CG2 3.82Å; I37-T40 WeakPolarHBondContact CG2-OG1 2.86Å |
| 41 | C | 50.5 | Low | 55.2 | Low | 112 Ų | 112 | 135.4 Ų | 135.4 | 76% | 0.757 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -130.9 | 3.9 | 179.8 | -56.5 | 0 | 0 | 0 | 0 | 115.1 | | |
| 42 | T | 44.3 | Very low | 53.5 | Low | 113 Ų | 113 | 129.9 Ų | 129.9 | 69% | 0.693 | 73% | 0.73 | S | S | * | * | | | trans | -106.3 | 38.4 | 178.1 | -45.3 | 0 | 0 | 0 | 0 | 112.1 | T38 | T38-T42 PolarHBondContact O-OG1 3.24Š|
| 43 | N | 43.7 | Very low | 51.7 | Low | 141 Ų | 141 | 130.8 Ų | 130.8 | 75% | 0.754 | 73% | 0.732 | S | S | * | * | | | trans | -118.3 | 25.1 | 168.8 | -61.7 | 39.1 | 0 | 0 | 0 | 111.8 | | |
| 44 | C | 45.4 | Very low | 49.8 | Very low | 127 Ų | 127 | 129.3 Ų | 129.3 | 86% | 0.858 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -128.5 | 68.6 | 167.8 | -76.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 45 | S | 43.2 | Very low | 48 | Very low | 102 Ų | 102 | 129.5 Ų | 129.5 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -166.7 | 139.9 | 143.5 | -170.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 46 | T | 37.4 | Very low | 46.2 | Very low | 112 Ų | 112 | 127.6 Ų | 127.6 | 69% | 0.687 | 74% | 0.739 | S | S | * | * | | | trans | 94.9 | 86.8 | 158.7 | -27 | 0 | 0 | 0 | 0 | 114 | | |
| 47 | E | 46.7 | Very low | 45.1 | Very low | 150 Ų | 150 | 123.2 Ų | 123.2 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | | | trans | -20.1 | 130.4 | 142.3 | 44.2 | -103.1 | 104.3 | 0 | 0 | 114.6 | | |
| 48 | E | 48.5 | Very low | 43.8 | Very low | 178 Ų | 178 | 124.6 Ų | 124.6 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | | | trans | 171.4 | 77.7 | 137.4 | -80 | -37.1 | 134.5 | 0 | 0 | 106.4 | | |
| 49 | A | 39.3 | Very low | 43 | Very low | 86 Ų | 86 | 125.7 Ų | 125.7 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | | | trans | -127.2 | 96.3 | 162.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | I51 | A49-I51 PolarHBondContact O-N 2.84Å; A49-I51 VanDerWaalsContact O-N 3.08Å |
| 50 | D | 46.9 | Very low | 42.4 | Very low | 143 Ų | 143 | 124.7 Ų | 124.7 | 77% | 0.765 | 76% | 0.76 | S | S | * | * | | | trans | -29.8 | 104.4 | 152.2 | 176.8 | 34.9 | 0 | 0 | 0 | 111.6 | | |
| 51 | I | 43.8 | Very low | 42.1 | Very low | 160 Ų | 160 | 124.6 Ų | 124.6 | 82% | 0.821 | 76% | 0.761 | S | S | * | * | | | trans | -147.5 | 102.5 | 157.5 | 32.3 | 169.4 | 0 | 0 | 0 | 107.8 | A49 | A49-I51 PolarHBondContact O-N 2.84Å; A49-I51 VanDerWaalsContact O-N 3.08Å |
| 52 | T | 41.3 | Very low | 42 | Very low | 109 Ų | 109 | 124.4 Ų | 124.4 | 67% | 0.669 | 76% | 0.756 | S | S | * | * | | | trans | -72.7 | 137.4 | 168.7 | -52.9 | 0 | 0 | 0 | 0 | 108.5 | | |
| 53 | E | 36.2 | Very low | 41.8 | Very low | 162 Ų | 162 | 128.4 Ų | 128.4 | 76% | 0.757 | 76% | 0.764 | S | S | * | * | | | trans | 87.2 | 109.6 | 146.2 | -87.5 | 178.6 | -179.7 | 0 | 0 | 122.5 | | |
| 54 | T | 32.5 | Very low | 41.9 | Very low | 117 Ų | 117 | 127 Ų | 127 | 72% | 0.718 | 77% | 0.765 | S | S | * | * | | | | 113.3 | 112.1 | 122.8 | 67.9 | 0 | 0 | 0 | 0 | 120.4 | | |
| 55 | S | 36.9 | Very low | 41.6 | Very low | 117 Ų | 117 | 126.7 Ų | 126.7 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | | | trans | 68.3 | 145.8 | 141.8 | 83 | 0 | 0 | 0 | 0 | 118 | | |
| 56 | A | 36.1 | Very low | 42.1 | Very low | 98 Ų | 98 | 129.6 Ų | 129.6 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | | | cis | -154.3 | 163.3 | 15.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 57 | A | 39.8 | Very low | 42.2 | Very low | 92 Ų | 92 | 130.1 Ų | 130.1 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | | | trans | -71.8 | 163.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 58 | D | 38.7 | Very low | 42.1 | Very low | 161 Ų | 161 | 127.4 Ų | 127.4 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | | | trans | 72.9 | 102.7 | 155.3 | -84.9 | -10.5 | 0 | 0 | 0 | 120.5 | | |
| 59 | S | 41.8 | Very low | 42.1 | Very low | 121 Ų | 121 | 125 Ų | 125 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | | | | -156.5 | 114.6 | 121.9 | 48.1 | 0 | 0 | 0 | 0 | 112 | | |
| 60 | S | 43.2 | Very low | 42.3 | Very low | 104 Ų | 104 | 128.8 Ų | 128.8 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | | | trans | -64.7 | 151 | 152.1 | 179.8 | 0 | 0 | 0 | 0 | 108.4 | | |
| 61 | P | 48.1 | Very low | 42.5 | Very low | 111 Ų | 111 | 129.9 Ų | 129.9 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | | | | -153.1 | 160.9 | 54.3 | 37.5 | -13.4 | 0 | 0 | 0 | 119.8 | | |
| 62 | V | 48.4 | Very low | 42.3 | Very low | 108 Ų | 108 | 130.5 Ų | 130.5 | 66% | 0.655 | 79% | 0.785 | S | S | * | * | | | trans | 36.7 | 115.3 | 133.3 | -171.8 | 0 | 0 | 0 | 0 | 118 | | |
| 63 | F | 39.9 | Very low | 42.4 | Very low | 198 Ų | 198 | 133.1 Ų | 133.1 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | | | | -156.1 | 105.1 | 126.4 | -99.5 | -72.5 | 0 | 0 | 0 | 110.5 | | |
| 64 | S | 46.3 | Very low | 43.2 | Very low | 110 Ų | 110 | 129.6 Ų | 129.6 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | | | trans | -79.7 | 123.3 | 167 | -58.5 | 0 | 0 | 0 | 0 | 109.3 | | |
| 65 | C | 39.3 | Very low | 43.7 | Very low | 121 Ų | 121 | 133.1 Ų | 133.1 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | trans | -130.7 | 82.7 | 162.2 | -77.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 66 | L | 52.6 | Low | 44 | Very low | 164 Ų | 164 | 132.1 Ų | 132.1 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 139 | 155.1 | -69 | 170.2 | 0 | 0 | 0 | 107.4 | | |
| 67 | P | 40.6 | Very low | 44.8 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 129.2 | 173.8 | 30.8 | -29.5 | 0 | 0 | 0 | 109.3 | | |
| 68 | A | 44.9 | Very low | 45.3 | Very low | 92 Ų | 92 | 138.5 Ų | 138.5 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 146.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 69 | P | 47.8 | Very low | 45.7 | Very low | 127 Ų | 127 | 134.6 Ų | 134.6 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 126.3 | 173.4 | 27.4 | -20.5 | 0 | 0 | 0 | 109.8 | | |
| 70 | L | 43.7 | Very low | 46.1 | Very low | 167 Ų | 167 | 134.7 Ų | 134.7 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | | | trans | -107 | 108.1 | 178.5 | -162.5 | 135.6 | 0 | 0 | 0 | 109.6 | | |
| 71 | E | 49.8 | Very low | 46.1 | Very low | 166 Ų | 166 | 138.3 Ų | 138.3 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | | | trans | -82.3 | 150.4 | 164.1 | -67.7 | -157.1 | 150.1 | 0 | 0 | 110.9 | | |
| 72 | H | 40.5 | Very low | 46.7 | Very low | 172 Ų | 172 | 139.4 Ų | 139.4 | 80% | 0.796 | 78% | 0.781 | S | S | * | * | | | trans | 98.1 | 90.1 | 166.3 | -66.7 | 162.4 | 0 | 0 | 0 | 120.6 | | |
| 73 | L | 43.8 | Very low | 46.9 | Very low | 164 Ų | 164 | 141.5 Ų | 141.5 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | | | | -4.7 | 167.5 | 128.7 | -104.4 | 168.6 | 0 | 0 | 0 | 119.2 | | |
| 74 | P | 53.5 | Low | 47.5 | Very low | 89 Ų | 89 | 140.7 Ų | 140.7 | 58% | 0.578 | 78% | 0.78 | S | S | * | * | | | cis | -121.2 | 160.2 | -20.1 | 3.5 | 21.2 | 0 | 0 | 0 | 114.5 | | |
| 75 | E | 41.6 | Very low | 47.7 | Very low | 190 Ų | 190 | 141.4 Ų | 141.4 | 89% | 0.888 | 78% | 0.775 | S | S | * | * | | | trans | 146.5 | 142.5 | 137.1 | -86.6 | 150 | 179.1 | 0 | 0 | 111.8 | | |
| 76 | A | 43.4 | Very low | 48.4 | Very low | 97 Ų | 97 | 141.4 Ų | 141.4 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | | | trans | 80.7 | 88.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | E78 | A76-E78 PolarHBondContact O-N 3.32Š|
| 77 | N | 53.1 | Low | 48.2 | Very low | 148 Ų | 148 | 138.5 Ų | 138.5 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | | | trans | -52.4 | 78.1 | 169.7 | 170.4 | 50.8 | 0 | 0 | 0 | 114.1 | | |
| 78 | E | 50.5 | Low | 48.7 | Very low | 175 Ų | 175 | 137.9 Ų | 137.9 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | | | trans | -137.8 | 62.4 | 165.4 | -55.7 | -62.5 | 163.9 | 0 | 0 | 108.3 | A76 | A76-E78 PolarHBondContact O-N 3.32Š|
| 79 | S | 46 | Very low | 49.1 | Very low | 79 Ų | 79 | 142.2 Ų | 142.2 | 55% | 0.552 | 77% | 0.772 | S | S | * | * | | | trans | -131.2 | 82.4 | -178.6 | -149 | 0 | 0 | 0 | 0 | 108.8 | F81 | S79-F81 PolarHBondContact O-N 2.9Å; S79-F81 WeakPolarHBondContact OG-CD2 3.4Å; S79-F81 WeakPolarHBondContact OG-CE2 3.33Å |
| 80 | C | 51.5 | Low | 49.6 | Very low | 123 Ų | 123 | 144.9 Ų | 144.9 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | | | trans | -72.5 | 52.5 | 170.2 | -58.1 | 0 | 0 | 0 | 0 | 110.3 | I82 | C80-I82 VanDerWaalsContact C-N 3.35Å; C80-I82 PolarHBondContact O-N 3.16Å |
| 81 | F | 43.8 | Very low | 50.4 | Low | 181 Ų | 181 | 142.7 Ų | 142.7 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | | | trans | -76.5 | 98 | 159.2 | -72.3 | -70.8 | 0 | 0 | 0 | 106.1 | S79 Q83 | S79-F81 PolarHBondContact O-N 2.9Å; S79-F81 WeakPolarHBondContact OG-CD2 3.4Å; S79-F81 WeakPolarHBondContact OG-CE2 3.33Å; F81-Q83 VanDerWaalsContact C-N 3.33Å; F81-Q83 PolarHBondContact O-N 3.38Å |
| 82 | I | 58.7 | Low | 51 | Low | 133 Ų | 133 | 140.1 Ų | 140.1 | 68% | 0.682 | 76% | 0.758 | S | S | * | * | | | trans | -66.9 | 101.5 | 171 | -49 | -176.9 | 0 | 0 | 0 | 105.7 | C80 F84 | C80-I82 VanDerWaalsContact C-N 3.35Å; C80-I82 PolarHBondContact O-N 3.16Å; I82-F84 HydrophobicContact CB-CE2 4.48Å; I82-F84 HydrophobicContact CG2-CE2 4.48Å; I82-F84 PolarHBondContact O-N 3.46Å |
| 83 | Q | 54.2 | Low | 52.2 | Low | 152 Ų | 152 | 142.2 Ų | 142.2 | 71% | 0.71 | 76% | 0.759 | S | S | * | * | | | trans | -57.5 | 102.5 | 166.7 | -179.8 | 179.9 | -43.6 | 0 | 0 | 107 | F81 D85 | F81-Q83 VanDerWaalsContact C-N 3.33Å; F81-Q83 PolarHBondContact O-N 3.38Å; Q83-D85 VanDerWaalsContact C-N 3.29Å; Q83-D85 PolarHBondContact NE2-OD1 3.44Å; Q83-D85 PolarHBondContact O-N 3.49Å |
| 84 | F | 52.8 | Low | 53 | Low | 182 Ų | 182 | 142.3 Ų | 142.3 | 80% | 0.798 | 75% | 0.753 | S | S | * | * | | | trans | -74.7 | 87.8 | 172 | -91.3 | -88.1 | 0 | 0 | 0 | 108 | I82 S86 | I82-F84 HydrophobicContact CB-CE2 4.48Å; I82-F84 HydrophobicContact CG2-CE2 4.48Å; I82-F84 PolarHBondContact O-N 3.46Å; F84-S86 PolarHBondContact O-N 2.95Å |
| 85 | D | 49.3 | Very low | 54.1 | Low | 124 Ų | 124 | 144.8 Ų | 144.8 | 66% | 0.663 | 76% | 0.76 | S | S | * | * | | | trans | -58 | 123.9 | 161 | -81.8 | -19.1 | 0 | 0 | 0 | 107.5 | Q83 C87 | Q83-D85 VanDerWaalsContact C-N 3.29Å; Q83-D85 PolarHBondContact NE2-OD1 3.44Å; Q83-D85 PolarHBondContact O-N 3.49Å; D85-C87 PolarHBondContact O-N 3.39Å |
| 86 | S | 53.6 | Low | 55.4 | Low | 121 Ų | 121 | 141.7 Ų | 141.7 | 85% | 0.846 | 76% | 0.755 | S | S | * | * | | | trans | -61.2 | 102.7 | -168.3 | -59.5 | 0 | 0 | 0 | 0 | 111.5 | F84 | F84-S86 PolarHBondContact O-N 2.95Š|
| 87 | C | 48.7 | Very low | 56.6 | Low | 103 Ų | 103 | 139.8 Ų | 139.8 | 70% | 0.696 | 73% | 0.734 | S | S | * | * | | | trans | -74.5 | 128.2 | 167.2 | -170.5 | 0 | 0 | 0 | 0 | 108.8 | D85 M89 | D85-C87 PolarHBondContact O-N 3.39Å; C87-M89 PolarHBondContact O-N 3.23Å |
| 88 | P | 51.1 | Low | 57.6 | Low | 111 Ų | 111 | 136 Ų | 136 | 72% | 0.721 | 72% | 0.718 | S | S | * | * | | | trans | -64.1 | 106.2 | -175.6 | 25.4 | -33.8 | 0 | 0 | 0 | 111.6 | E90 | P88-E90 VanDerWaalsContact C-N 3.27Å; P88-E90 PolarHBondContact O-N 3.4Å |
| 89 | M | 53.8 | Low | 58.3 | Low | 183 Ų | 183 | 132.9 Ų | 132.9 | 90% | 0.901 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 22.6 | 22.9 | 153.1 | -124.6 | 178.5 | 79.8 | 0 | 0 | 123.2 | C87 | C87-M89 PolarHBondContact O-N 3.23Š|
| 90 | E | 57.6 | Low | 58.9 | Low | 183 Ų | 183 | 134.1 Ų | 134.1 | 86% | 0.855 | 72% | 0.72 | S | S | * | * | | | trans | -121.4 | 15.2 | -175.3 | -142 | 160.6 | -156.2 | 0 | 0 | 115.3 | P88 | P88-E90 VanDerWaalsContact C-N 3.27Å; P88-E90 PolarHBondContact O-N 3.4Å |
| 91 | E | 60.2 | Low | 59.3 | Low | 120 Ų | 120 | 135.6 Ų | 135.6 | 56% | 0.561 | 71% | 0.712 | S | S | * | * | | | trans | -141.6 | 55.1 | 176.4 | -63.1 | 176.2 | 172.6 | 0 | 0 | 111.3 | W93 F94 | E91-W93 VanDerWaalsContact C-N 3.29Å; E91-W93 PolarHBondContact O-N 2.89Å; E91-F94 HydrophobicContact CB-CE2 3.72Å; E91-F94 HydrophobicContact CB-CZ 4.13Å; E91-F94 WeakPolarHBondContact O-CD2 3.39Å; E91-F94 WeakPolarHBondContact O-CE2 3.36Å; E91-F94 WeakPolarHBondContact OE2-CZ 3.45Å |
| 92 | S | 63.7 | Low | 60 | Low | 112 Ų | 112 | 131.8 Ų | 131.8 | 78% | 0.783 | 70% | 0.704 | S | S | * | * | | | trans | -73.5 | 76.7 | 173 | -63.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 93 | W | 64.4 | Low | 59.9 | Low | 216 Ų | 216 | 129.5 Ų | 129.5 | 82% | 0.818 | 71% | 0.705 | S | S | * | * | | | trans | -169.9 | 44 | 152.2 | 58.6 | -78.7 | 0 | 0 | 0 | 112.2 | E91 I95 | E91-W93 VanDerWaalsContact C-N 3.29Å; E91-W93 PolarHBondContact O-N 2.89Å; W93-I95 PolarHBondContact O-N 2.98Å |
| 94 | F | 61.5 | Low | 60.1 | Low | 167 Ų | 167 | 125.6 Ų | 125.6 | 73% | 0.732 | 71% | 0.705 | S | S | * | * | | | trans | -73 | 82.8 | 164.2 | -65.1 | -73.9 | 0 | 0 | 0 | 109.2 | E91 T96 | E91-F94 HydrophobicContact CB-CE2 3.72Å; E91-F94 HydrophobicContact CB-CZ 4.13Å; E91-F94 WeakPolarHBondContact O-CD2 3.39Å; E91-F94 WeakPolarHBondContact O-CE2 3.36Å; E91-F94 WeakPolarHBondContact OE2-CZ 3.45Å; F94-T96 PolarHBondContact O-N 3.12Å |
| 95 | I | 75.7 | Confident | 60.4 | Low | 141 Ų | 141 | 120 Ų | 120 | 72% | 0.723 | 70% | 0.7 | S | S | * | * | | | trans | -68.3 | 111.1 | 161.8 | -65.3 | 171.2 | 0 | 0 | 0 | 105.4 | W93 P97 | W93-I95 PolarHBondContact O-N 2.98Å; I95-P97 VanDerWaalsContact O-CD 3.25Å; I95-P97 WeakPolarHBondContact O-CD 3.24Å; I95-P97 VanDerWaalsContact O-N 3.07Å |
| 96 | T | 69.9 | Low | 60.7 | Low | 125 Ų | 125 | 122.4 Ų | 122.4 | 77% | 0.767 | 71% | 0.712 | S | S | * | * | | | trans | -59.3 | 113.4 | 168.9 | -53.4 | 0 | 0 | 0 | 0 | 107.3 | F94 | F94-T96 PolarHBondContact O-N 3.12Š|
| 97 | P | 69.5 | Low | 60.5 | Low | 57 Ų | 57 | 121.7 Ų | 121.7 | 37% | 0.37 | 70% | 0.702 | S | S | . | * | | | trans | -66.3 | 151.2 | -176.4 | 30.4 | -35.7 | 0 | 0 | 0 | 108.8 | I95 F101 | I95-P97 VanDerWaalsContact O-CD 3.25Å; I95-P97 WeakPolarHBondContact O-CD 3.24Å; I95-P97 VanDerWaalsContact O-N 3.07Å; P97-F101 HydrophobicContact CB-CB 3.73Å; P97-F101 HydrophobicContact CB-CD2 4.24Å; P97-F101 HydrophobicContact CB-CG 3.98Å; P97-F101 HydrophobicContact CG-CB 4.05Å |
| 98 | P | 72.5 | Confident | 60.8 | Low | 69 Ų | 69 | 123.7 Ų | 123.7 | 45% | 0.448 | 71% | 0.711 | S | S | . | * | | | trans | -49.6 | 151.4 | -179.5 | -27.4 | 33.2 | 0 | 0 | 0 | 111.9 | C100 F101 | P98-C100 PolarHBondContact O-N 3.12Å; P98-F101 HydrophobicContact CB-CD2 4.13Å; P98-F101 HydrophobicContact CG-CD2 4.15Å; P98-F101 HydrophobicContact CG-CE2 4.24Å; P98-F101 WeakPolarHBondContact O-CB 3.42Å; P98-F101 PolarHBondContact O-N 3.35Å |
| 99 | P | 66 | Low | 61.1 | Low | 109 Ų | 109 | 124.5 Ų | 124.5 | 71% | 0.708 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -54.3 | -24 | -175.3 | -25.6 | 32.9 | 0 | 0 | 0 | 114.5 | F101 T102 A103 | P99-F101 PolarHBondContact O-N 3.44Å; P99-T102 PolarHBondContact O-N 3.23Å; P99-A103 WeakPolarHBondContact O-CB 3.5Å; P99-A103 PolarHBondContact O-N 3.01Å |
| 100 | C | 58 | Low | 61.4 | Low | 105 Ų | 105 | 123.4 Ų | 123.4 | 71% | 0.709 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -68.3 | -11.8 | 173.5 | 48 | 0 | 0 | 0 | 0 | 114.8 | P98 | P98-C100 PolarHBondContact O-N 3.12Å |
| 101 | F | 61.3 | Low | 61.7 | Low | 154 Ų | 154 | 120 Ų | 120 | 68% | 0.675 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -93.1 | -25.1 | 170.8 | -74.3 | -93.6 | 0 | 0 | 0 | 112.8 | P97 P98 P99 | P97-F101 HydrophobicContact CB-CB 3.73Å; P97-F101 HydrophobicContact CB-CD2 4.24Å; P97-F101 HydrophobicContact CB-CG 3.98Å; P97-F101 HydrophobicContact CG-CB 4.05Å; P98-F101 HydrophobicContact CB-CD2 4.13Å; P98-F101 HydrophobicContact CG-CD2 4.15Å; P98-F101 HydrophobicContact CG-CE2 4.24Å; P98-F101 WeakPolarHBondContact O-CB 3.42Å; P98-F101 PolarHBondContact O-N 3.35Å; P99-F101 PolarHBondContact O-N 3.44Å |
| 102 | T | 57.7 | Low | 62 | Low | 100 Ų | 100 | 120.8 Ų | 120.8 | 61% | 0.613 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -102 | -8.2 | -178.1 | 18.8 | 0 | 0 | 0 | 0 | 113.7 | P99 G104 | P99-T102 PolarHBondContact O-N 3.23Å; T102-G104 PolarHBondContact O-N 3.28Å; T102-G104 VanDerWaalsContact O-N 3.09Å |
| 103 | A | 56.8 | Low | 62.2 | Low | 86 Ų | 86 | 120.5 Ų | 120.5 | 71% | 0.711 | 69% | 0.687 | S | S | * | * | | | trans | -73.8 | 13.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | P99 G105 | P99-A103 WeakPolarHBondContact O-CB 3.5Å; P99-A103 PolarHBondContact O-N 3.01Å; A103-G105 VanDerWaalsContact C-N 3.29Å; A103-G105 PolarHBondContact O-N 3.33Å; A103-G105 VanDerWaalsContact O-N 3.12Å |
| 104 | G | 57.3 | Low | 62.4 | Low | 69 Ų | 69 | 113.2 Ų | 113.2 | 71% | 0.711 | 67% | 0.669 | S | S | * | * | | | trans | -82.8 | 68.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | T102 L106 | T102-G104 PolarHBondContact O-N 3.28Å; T102-G104 VanDerWaalsContact O-N 3.09Å; G104-L106 PolarHBondContact O-N 2.91Å; G104-L106 VanDerWaalsContact O-N 3.15Å |
| 105 | G | 58.9 | Low | 62.8 | Low | 66 Ų | 66 | 111.3 Ų | 111.3 | 68% | 0.68 | 67% | 0.674 | S | S | * | * | | | trans | -61.6 | 113.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | A103 T107 | A103-G105 VanDerWaalsContact C-N 3.29Å; A103-G105 PolarHBondContact O-N 3.33Å; A103-G105 VanDerWaalsContact O-N 3.12Å; G105-T107 PolarHBondContact O-N 2.77Å |
| 106 | L | 55.8 | Low | 62 | Low | 174 Ų | 174 | 111.1 Ų | 111.1 | 91% | 0.911 | 67% | 0.671 | S | S | * | * | S | Bend | trans | 50.4 | 50.7 | 151.6 | -143.2 | 82.7 | 0 | 0 | 0 | 117.7 | G104 | G104-L106 PolarHBondContact O-N 2.91Å; G104-L106 VanDerWaalsContact O-N 3.15Å |
| 107 | T | 49.8 | Very low | 61.8 | Low | 105 Ų | 105 | 109.9 Ų | 109.9 | 64% | 0.644 | 66% | 0.657 | S | S | * | * | | | trans | -139.5 | 114.2 | 145.5 | 52.2 | 0 | 0 | 0 | 0 | 107.9 | G105 I109 | G105-T107 PolarHBondContact O-N 2.77Å; T107-I109 PolarHBondContact O-N 3.06Å |
| 108 | T | 55.4 | Low | 61.4 | Low | 145 Ų | 145 | 112.9 Ų | 112.9 | 89% | 0.89 | 67% | 0.67 | S | S | * | * | | | trans | -64.2 | 83.6 | 157.5 | 50.6 | 0 | 0 | 0 | 0 | 105.9 | K110 | T108-K110 PolarHBondContact O-N 3.07Š|
| 109 | I | 57 | Low | 61.2 | Low | 129 Ų | 129 | 115.4 Ų | 115.4 | 66% | 0.662 | 68% | 0.679 | S | S | * | * | | | trans | -62.1 | 96.8 | 167.2 | -67.5 | 173.8 | 0 | 0 | 0 | 103.9 | T107 V111 | T107-I109 PolarHBondContact O-N 3.06Å; I109-V111 HydrophobicContact CG2-CG2 3.9Å; I109-V111 PolarHBondContact O-N 3.17Å |
| 110 | K | 59.9 | Low | 61.1 | Low | 160 Ų | 160 | 117.1 Ų | 117.1 | 70% | 0.696 | 68% | 0.681 | S | S | * | * | | | trans | -63 | 90.2 | 166.7 | -176 | -168 | 176.8 | -156 | 0 | 104.7 | T108 E112 | T108-K110 PolarHBondContact O-N 3.07Å; K110-E112 VanDerWaalsContact C-N 3.3Å; K110-E112 WeakPolarHBondContact CE-OE1 3.37Å; K110-E112 IonicContact NZ-OE1 2.66Å; K110-E112 PolarHBondContact NZ-OE1 3.15Å; K110-E112 PolarHBondContact O-N 3.42Å |
| 111 | V | 63.4 | Low | 61.4 | Low | 111 Ų | 111 | 117.7 Ų | 117.7 | 67% | 0.673 | 68% | 0.676 | S | S | * | * | | | trans | -64.8 | 100.7 | 171 | 178.8 | 0 | 0 | 0 | 0 | 104.8 | I109 T113 | I109-V111 HydrophobicContact CG2-CG2 3.9Å; I109-V111 PolarHBondContact O-N 3.17Å; V111-T113 PolarHBondContact O-N 3.34Å; V111-T113 VanDerWaalsContact O-N 3.09Å |
| 112 | E | 68.2 | Low | 61.3 | Low | 137 Ų | 137 | 116.6 Ų | 116.6 | 64% | 0.64 | 67% | 0.673 | S | S | * | * | | | trans | -63.6 | 110.4 | 173.6 | -68.7 | -100.9 | 144.5 | 0 | 0 | 107 | K110 S114 | K110-E112 VanDerWaalsContact C-N 3.3Å; K110-E112 WeakPolarHBondContact CE-OE1 3.37Å; K110-E112 IonicContact NZ-OE1 2.66Å; K110-E112 PolarHBondContact NZ-OE1 3.15Å; K110-E112 PolarHBondContact O-N 3.42Å; E112-S114 PolarHBondContact O-N 3.46Å; E112-S114 VanDerWaalsContact O-N 3.14Å |
| 113 | T | 66.4 | Low | 61.3 | Low | 105 Ų | 105 | 117.9 Ų | 117.9 | 64% | 0.644 | 67% | 0.672 | S | S | * | * | | | trans | -63.5 | 105.9 | 172.4 | 45.7 | 0 | 0 | 0 | 0 | 108.6 | V111 E117 | V111-T113 PolarHBondContact O-N 3.34Å; V111-T113 VanDerWaalsContact O-N 3.09Å; T113-E117 WeakPolarHBondContact CA-OE1 3.42Å; T113-E117 WeakPolarHBondContact CB-OE1 3.35Å; T113-E117 WeakPolarHBondContact CG2-OE1 3.32Å |
| 114 | S | 70 | Confident | 61.6 | Low | 64 Ų | 64 | 120.3 Ų | 120.3 | 45% | 0.448 | 68% | 0.68 | S | S | . | * | | | trans | -68 | 132.6 | -176.5 | 176.8 | 0 | 0 | 0 | 0 | 109.8 | E112 M116 E117 | E112-S114 PolarHBondContact O-N 3.46Å; E112-S114 VanDerWaalsContact O-N 3.14Å; S114-M116 PolarHBondContact O-N 3.33Å; S114-E117 PolarHBondContact N-OE1 3.04Å; S114-E117 VanDerWaalsContact N-OE1 3.16Å; S114-E117 WeakPolarHBondContact O-CB 3.4Å; S114-E117 VanDerWaalsContact O-CG 3.24Å; S114-E117 WeakPolarHBondContact O-CG 3.41Å; S114-E117 PolarHBondContact O-N 3.37Å |
| 115 | P | 68.3 | Low | 61.6 | Low | 127 Ų | 127 | 122 Ų | 122 | 83% | 0.825 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.3 | -18.1 | -178.3 | -26.3 | 33.4 | 0 | 0 | 0 | 115.5 | | |
| 116 | M | 59.3 | Low | 61.6 | Low | 137 Ų | 137 | 123.2 Ų | 123.2 | 68% | 0.675 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -11 | 178.5 | -78.2 | 176.1 | 57 | 0 | 0 | 114.7 | S114 N118 L119 | S114-M116 PolarHBondContact O-N 3.33Å; M116-N118 PolarHBondContact O-N 3.24Å; M116-L119 HydrophobicContact CB-CD1 4.09Å; M116-L119 HydrophobicContact CG-CD1 3.91Å; M116-L119 WeakPolarHBondContact O-CB 3.37Å; M116-L119 WeakPolarHBondContact O-CG 3.34Å; M116-L119 PolarHBondContact O-N 3.3Å; M116-L119 VanDerWaalsContact O-N 3.16Å |
| 117 | E | 65.7 | Low | 61.8 | Low | 98 Ų | 98 | 119.8 Ų | 119.8 | 46% | 0.458 | 66% | 0.661 | S | S | . | * | G | 310 helix | trans | -72.8 | -19.4 | -174.2 | 80.1 | -161.1 | 150.2 | 0 | 0 | 113.1 | T113 S114 L119 | T113-E117 WeakPolarHBondContact CA-OE1 3.42Å; T113-E117 WeakPolarHBondContact CB-OE1 3.35Å; T113-E117 WeakPolarHBondContact CG2-OE1 3.32Å; S114-E117 PolarHBondContact N-OE1 3.04Å; S114-E117 VanDerWaalsContact N-OE1 3.16Å; S114-E117 WeakPolarHBondContact O-CB 3.4Å; S114-E117 VanDerWaalsContact O-CG 3.24Å; S114-E117 WeakPolarHBondContact O-CG 3.41Å; S114-E117 PolarHBondContact O-N 3.37Å; E117-L119 VanDerWaalsContact C-N 3.29Å; E117-L119 PolarHBondContact O-N 2.94Å |
| 118 | N | 62.3 | Low | 62.1 | Low | 121 Ų | 121 | 120.6 Ų | 120.6 | 65% | 0.647 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -84.4 | 3.5 | 173.5 | -79 | -20.4 | 0 | 0 | 0 | 113.9 | M116 L120 | M116-N118 PolarHBondContact O-N 3.24Å; N118-L120 VanDerWaalsContact C-N 3.26Å; N118-L120 PolarHBondContact O-N 2.99Å |
| 119 | L | 68.3 | Low | 61.9 | Low | 122 Ų | 122 | 123.4 Ų | 123.4 | 64% | 0.639 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -82.6 | -2.6 | 178.5 | -59.8 | 177.9 | 0 | 0 | 0 | 113.4 | M116 E117 | M116-L119 HydrophobicContact CB-CD1 4.09Å; M116-L119 HydrophobicContact CG-CD1 3.91Å; M116-L119 WeakPolarHBondContact O-CB 3.37Å; M116-L119 WeakPolarHBondContact O-CG 3.34Å; M116-L119 PolarHBondContact O-N 3.3Å; M116-L119 VanDerWaalsContact O-N 3.16Å; E117-L119 VanDerWaalsContact C-N 3.29Å; E117-L119 PolarHBondContact O-N 2.94Å |
| 120 | L | 63.1 | Low | 62.1 | Low | 145 Ų | 145 | 121 Ų | 121 | 76% | 0.759 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -121.4 | 25.9 | -177.7 | -63.8 | 178.4 | 0 | 0 | 0 | 113.8 | N118 E122 | N118-L120 VanDerWaalsContact C-N 3.26Å; N118-L120 PolarHBondContact O-N 2.99Å; L120-E122 PolarHBondContact O-N 3.02Å; L120-E122 VanDerWaalsContact O-N 3.12Å |
| 121 | I | 63.9 | Low | 61.8 | Low | 117 Ų | 117 | 118.1 Ų | 118.1 | 60% | 0.6 | 66% | 0.656 | S | S | * | * | | | trans | -84.6 | 54.7 | 155.4 | 54 | 167.9 | 0 | 0 | 0 | 109.6 | H123 | I121-H123 VanDerWaalsContact C-N 3.32Å; I121-H123 PolarHBondContact O-N 3.16Å |
| 122 | E | 60.4 | Low | 61.3 | Low | 130 Ų | 130 | 121.8 Ų | 121.8 | 61% | 0.607 | 67% | 0.666 | S | S | * | * | | | trans | -67.2 | 95.8 | 164.6 | 175.6 | 163.2 | -161.3 | 0 | 0 | 107.5 | L120 M126 | L120-E122 PolarHBondContact O-N 3.02Å; L120-E122 VanDerWaalsContact O-N 3.12Å; E122-M126 HydrophobicContact CB-CE 3.69Å; E122-M126 HydrophobicContact CG-CB 4.37Å; E122-M126 HydrophobicContact CG-CE 3.65Å |
| 123 | H | 57.3 | Low | 60.6 | Low | 127 Ų | 127 | 122.3 Ų | 122.3 | 59% | 0.588 | 67% | 0.673 | S | S | * | * | | | trans | -62.2 | 144.6 | 167.1 | -69.9 | -79.7 | 0 | 0 | 0 | 108.7 | I121 S125 M126 | I121-H123 VanDerWaalsContact C-N 3.32Å; I121-H123 PolarHBondContact O-N 3.16Å; H123-S125 PolarHBondContact O-N 2.95Å; H123-M126 WeakPolarHBondContact O-CB 3.43Å; H123-M126 PolarHBondContact O-N 3.31Å |
| 124 | P | 63.2 | Low | 59.7 | Low | 137 Ų | 137 | 122.2 Ų | 122.2 | 89% | 0.89 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | 14.2 | 176.2 | 28 | -35.5 | 0 | 0 | 0 | 114.3 | | |
| 125 | S | 57.2 | Low | 58.9 | Low | 106 Ų | 106 | 125.7 Ų | 125.7 | 74% | 0.741 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.7 | 6.7 | 171.4 | -50.8 | 0 | 0 | 0 | 0 | 112.7 | H123 S127 | H123-S125 PolarHBondContact O-N 2.95Å; S125-S127 PolarHBondContact O-N 2.94Å |
| 126 | M | 58.8 | Low | 57.8 | Low | 91 Ų | 91 | 126.8 Ų | 126.8 | 45% | 0.448 | 69% | 0.689 | S | S | . | * | | | trans | -75.4 | 88.2 | -178.9 | -157.2 | 164.9 | 78.2 | 0 | 0 | 110 | E122 H123 | E122-M126 HydrophobicContact CB-CE 3.69Å; E122-M126 HydrophobicContact CG-CB 4.37Å; E122-M126 HydrophobicContact CG-CE 3.65Å; H123-M126 WeakPolarHBondContact O-CB 3.43Å; H123-M126 PolarHBondContact O-N 3.31Å |
| 127 | S | 60.8 | Low | 57.2 | Low | 101 Ų | 101 | 125.5 Ų | 125.5 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | | | trans | -117.6 | 147 | 158.3 | 59.8 | 0 | 0 | 0 | 0 | 108.6 | S125 | S125-S127 PolarHBondContact O-N 2.94Š|
| 128 | V | 55.8 | Low | 56.4 | Low | 123 Ų | 123 | 125.5 Ų | 125.5 | 75% | 0.745 | 70% | 0.696 | S | S | * | * | | | trans | 90.4 | 74.3 | 170.6 | -160.3 | 0 | 0 | 0 | 0 | 116.1 | A130 | V128-A130 VanDerWaalsContact C-N 3.32Å; V128-A130 HydrophobicContact CG1-CB 3.68Å; V128-A130 PolarHBondContact O-N 3.14Å |
| 129 | Y | 49.9 | Very low | 55.8 | Low | 204 Ų | 204 | 126.6 Ų | 126.6 | 80% | 0.8 | 70% | 0.702 | S | S | * | * | | | trans | -74.7 | 92.8 | 134.2 | -71.5 | -79.6 | 0 | 0 | 0 | 107.9 | V131 | Y129-V131 HydrophobicContact CD1-CG2 4.5Š|
| 130 | A | 61.2 | Low | 54.3 | Low | 78 Ų | 78 | 128.4 Ų | 128.4 | 65% | 0.645 | 71% | 0.707 | S | S | * | * | | | trans | -93.7 | 83.8 | 153.6 | 0 | 0 | 0 | 0 | 0 | 106.6 | V128 | V128-A130 VanDerWaalsContact C-N 3.32Å; V128-A130 HydrophobicContact CG1-CB 3.68Å; V128-A130 PolarHBondContact O-N 3.14Å |
| 131 | V | 54.8 | Low | 53.5 | Low | 99 Ų | 99 | 128 Ų | 128 | 60% | 0.6 | 71% | 0.711 | S | S | * | * | | | trans | -110.5 | 79.7 | 165.7 | -179.3 | 0 | 0 | 0 | 0 | 107.4 | Y129 | Y129-V131 HydrophobicContact CD1-CG2 4.5Š|
| 132 | H | 52.7 | Low | 52.2 | Low | 188 Ų | 188 | 128.1 Ų | 128.1 | 87% | 0.87 | 72% | 0.722 | S | S | * | * | | | trans | -126 | 71.3 | 147.2 | -71.1 | -72.4 | 0 | 0 | 0 | 107.3 | T134 | H132-T134 VanDerWaalsContact C-N 3.31Å; H132-T134 PolarHBondContact O-N 2.69Å; H132-T134 VanDerWaalsContact O-N 3.12Å |
| 133 | N | 53.7 | Low | 51.2 | Low | 149 Ų | 149 | 127.9 Ų | 127.9 | 80% | 0.797 | 73% | 0.733 | S | S | * | * | | | trans | -71.3 | 92.2 | 159 | -75.5 | -14.8 | 0 | 0 | 0 | 107.8 | | |
| 134 | T | 47.3 | Very low | 50.1 | Low | 103 Ų | 103 | 125.6 Ų | 125.6 | 63% | 0.632 | 74% | 0.744 | S | S | * | * | | | trans | -139.8 | 88 | 152.1 | -45.6 | 0 | 0 | 0 | 0 | 108.6 | H132 H136 | H132-T134 VanDerWaalsContact C-N 3.31Å; H132-T134 PolarHBondContact O-N 2.69Å; H132-T134 VanDerWaalsContact O-N 3.12Å; T134-H136 HydrophobicContact CG2-CB 3.83Å; T134-H136 PolarHBondContact O-N 3.49Å |
| 135 | C | 52.3 | Low | 48.8 | Very low | 137 Ų | 137 | 125.6 Ų | 125.6 | 93% | 0.926 | 74% | 0.736 | S | S | * | * | | | trans | -60.8 | 84.4 | 145.8 | -65.4 | 0 | 0 | 0 | 0 | 107.6 | S137 | C135-S137 VanDerWaalsContact C-N 3.31Å; C135-S137 PolarHBondContact O-N 3.46Å |
| 136 | H | 44.9 | Very low | 48.1 | Very low | 149 Ų | 149 | 128 Ų | 128 | 69% | 0.69 | 74% | 0.736 | S | S | * | * | | | trans | -91.3 | 82.8 | 158.4 | -124.7 | -70.6 | 0 | 0 | 0 | 106.5 | T134 L138 | T134-H136 HydrophobicContact CG2-CB 3.83Å; T134-H136 PolarHBondContact O-N 3.49Å; H136-L138 VanDerWaalsContact C-N 3.35Å; H136-L138 PolarHBondContact O-N 3.08Å; H136-L138 VanDerWaalsContact O-N 3.15Å |
| 137 | S | 48.5 | Very low | 47 | Very low | 110 Ų | 110 | 131 Ų | 131 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | | | trans | -62.7 | 102.9 | 152.9 | -179.2 | 0 | 0 | 0 | 0 | 106.4 | C135 | C135-S137 VanDerWaalsContact C-N 3.31Å; C135-S137 PolarHBondContact O-N 3.46Å |
| 138 | L | 47.9 | Very low | 45.8 | Very low | 98 Ų | 98 | 133.6 Ų | 133.6 | 51% | 0.513 | 75% | 0.748 | S | S | . | * | | | trans | -145 | 94 | 157.6 | -154.1 | 140.9 | 0 | 0 | 0 | 108.2 | H136 E140 | H136-L138 VanDerWaalsContact C-N 3.35Å; H136-L138 PolarHBondContact O-N 3.08Å; H136-L138 VanDerWaalsContact O-N 3.15Å; L138-E140 VanDerWaalsContact C-N 3.33Å; L138-E140 HydrophobicContact CD2-CB 3.67Å; L138-E140 HydrophobicContact CD2-CG 3.29Å; L138-E140 WeakPolarHBondContact CD2-OE2 3.46Å; L138-E140 PolarHBondContact O-N 3.04Å |
| 139 | N | 50.3 | Low | 44.8 | Very low | 145 Ų | 145 | 135.6 Ų | 135.6 | 78% | 0.775 | 75% | 0.749 | S | S | * | * | | | trans | -50.8 | 89.6 | 153.4 | 54.3 | -15.9 | 0 | 0 | 0 | 111.2 | | |
| 140 | E | 36.8 | Very low | 44.2 | Very low | 160 Ų | 160 | 131.8 Ų | 131.8 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | | | trans | -115.1 | 104.4 | 161 | -97.8 | 176.8 | 166 | 0 | 0 | 110.4 | L138 S142 | L138-E140 VanDerWaalsContact C-N 3.33Å; L138-E140 HydrophobicContact CD2-CB 3.67Å; L138-E140 HydrophobicContact CD2-CG 3.29Å; L138-E140 WeakPolarHBondContact CD2-OE2 3.46Å; L138-E140 PolarHBondContact O-N 3.04Å; E140-S142 PolarHBondContact O-N 3.35Å |
| 141 | T | 46.2 | Very low | 43.4 | Very low | 136 Ų | 136 | 134.2 Ų | 134.2 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | | | trans | -53 | 100.4 | 161.7 | 48.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 142 | S | 35.3 | Very low | 42.4 | Very low | 120 Ų | 120 | 133.1 Ų | 133.1 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | | | trans | -100.5 | 100.4 | 163.6 | -170.4 | 0 | 0 | 0 | 0 | 109.1 | E140 | E140-S142 PolarHBondContact O-N 3.35Š|
| 143 | C | 39.4 | Very low | 41.6 | Very low | 125 Ų | 125 | 130 Ų | 130 | 85% | 0.845 | 77% | 0.768 | S | S | * | * | | | trans | -63.8 | 151.5 | 163 | -71 | 0 | 0 | 0 | 0 | 111.5 | | |
| 144 | G | 34.8 | Very low | 41.2 | Very low | 78 Ų | 78 | 128.2 Ų | 128.2 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | | | trans | 124.7 | 118.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 145 | N | 36.7 | Very low | 40.8 | Very low | 138 Ų | 138 | 133.4 Ų | 133.4 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | | | cis | -154.7 | 149.2 | 15 | -164.9 | 14.5 | 0 | 0 | 0 | 108 | | |
| 146 | E | 42.6 | Very low | 40.2 | Very low | 156 Ų | 156 | 136.2 Ų | 136.2 | 73% | 0.729 | 78% | 0.775 | S | S | * | * | | | trans | -62.2 | 147 | 178.8 | 51.4 | -123.7 | 144.1 | 0 | 0 | 114.7 | | |
| 147 | E | 34.9 | Very low | 39.9 | Very low | 153 Ų | 153 | 136.8 Ų | 136.8 | 72% | 0.715 | 78% | 0.778 | S | S | * | * | | | trans | -175.5 | 102.2 | 142.2 | -155.9 | 82.4 | 158 | 0 | 0 | 112.6 | | |
| 148 | F | 35 | Very low | 39.5 | Very low | 157 Ų | 157 | 136.2 Ų | 136.2 | 69% | 0.689 | 78% | 0.78 | S | S | * | * | | | trans | 69.2 | 111.5 | 149.8 | -54.4 | -45.7 | 0 | 0 | 0 | 126.8 | | |
| 149 | H | 35.2 | Very low | 39.3 | Very low | 165 Ų | 165 | 141.3 Ų | 141.3 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | | | trans | 13.5 | 126.5 | 141.4 | -52.1 | -64.7 | 0 | 0 | 0 | 122.6 | | |
| 150 | S | 37.5 | Very low | 39.1 | Very low | 124 Ų | 124 | 141.8 Ų | 141.8 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | | | | -160.1 | 120.9 | 125.7 | -81.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 151 | P | 45.4 | Very low | 39.6 | Very low | 129 Ų | 129 | 141.7 Ų | 141.7 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | | | trans | -97.7 | 133.9 | 173.7 | 34.4 | -25.5 | 0 | 0 | 0 | 110.7 | | |
| 152 | G | 32.6 | Very low | 39.7 | Very low | 75 Ų | 75 | 143 Ų | 143 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | | | trans | -162.9 | 81.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 153 | S | 36.3 | Very low | 40.3 | Very low | 122 Ų | 122 | 141 Ų | 141 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | | | trans | 75.2 | 159.3 | 139.2 | -114.9 | 0 | 0 | 0 | 0 | 120.8 | | |
| 154 | P | 45.6 | Very low | 40.8 | Very low | 112 Ų | 112 | 144.1 Ų | 144.1 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | | | | -118.9 | 155.2 | -119 | 23.4 | -0.1 | 0 | 0 | 0 | 114.7 | | |
| 155 | R | 38.6 | Very low | 41.5 | Very low | 212 Ų | 212 | 147 Ų | 147 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | | | trans | 49.4 | 109.3 | 142.3 | -161 | -179.1 | -163.1 | -172.3 | 4.4 | 118.1 | E157 | R155-E157 IonicContact NH2-OE2 2.68Š|
| 156 | M | 39 | Very low | 42.4 | Very low | 197 Ų | 197 | 146.3 Ų | 146.3 | 97% | 0.97 | 79% | 0.787 | S | S | * | * | | | | -143.9 | 111.6 | 127.5 | -108 | 176.4 | -180 | 0 | 0 | 110 | | |
| 157 | E | 40.3 | Very low | 43 | Very low | 160 Ų | 160 | 144.8 Ų | 144.8 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | | | trans | -80.3 | 115.8 | 174.5 | -174.8 | 168.5 | -160.5 | 0 | 0 | 107.6 | R155 | R155-E157 IonicContact NH2-OE2 2.68Š|
| 158 | A | 39.4 | Very low | 43.7 | Very low | 98 Ų | 98 | 143 Ų | 143 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | | | trans | -148.6 | 81.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | N160 | A158-N160 PolarHBondContact O-N 3.27Š|
| 159 | R | 43.8 | Very low | 44.9 | Very low | 206 Ų | 206 | 145.2 Ų | 145.2 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | | | trans | -64.5 | 121.1 | 160.7 | 178.3 | 179.4 | 179 | -177 | -0.8 | 107.7 | | |
| 160 | N | 45.4 | Very low | 46.1 | Very low | 155 Ų | 155 | 144 Ų | 144 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | | | trans | -159.2 | 117.6 | 145.9 | -103.4 | -61.4 | 0 | 0 | 0 | 110.5 | A158 | A158-N160 PolarHBondContact O-N 3.27Š|
| 161 | E | 48.3 | Very low | 47 | Very low | 157 Ų | 157 | 142.5 Ų | 142.5 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | | | trans | -75.2 | 123.5 | 172.3 | -65 | 165.3 | -160.5 | 0 | 0 | 109 | | |
| 162 | M | 47.5 | Very low | 47.9 | Very low | 165 Ų | 165 | 141 Ų | 141 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | | | trans | -161.6 | 130.3 | 149.4 | 25.1 | 78.8 | 138.8 | 0 | 0 | 110.6 | Q164 | M162-Q164 PolarHBondContact O-N 3.28Š|
| 163 | G | 48.5 | Very low | 49.2 | Very low | 78 Ų | 78 | 145.3 Ų | 145.3 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | trans | -54.2 | 129.2 | -168.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | H165 | G163-H165 PolarHBondContact O-N 3.31Š|
| 164 | Q | 48.6 | Very low | 50.1 | Low | 190 Ų | 190 | 143.9 Ų | 143.9 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | | | trans | -75.2 | 93.5 | 173.8 | -70.9 | -178.4 | -7.9 | 0 | 0 | 109.1 | M162 V166 | M162-Q164 PolarHBondContact O-N 3.28Å; Q164-V166 PolarHBondContact O-N 3.03Å |
| 165 | H | 50.3 | Low | 50.3 | Low | 137 Ų | 137 | 145.3 Ų | 145.3 | 63% | 0.634 | 79% | 0.792 | S | S | * | * | | | trans | -61.9 | 107.7 | 168.7 | -174.1 | -72.1 | 0 | 0 | 0 | 109.5 | G163 H167 | G163-H165 PolarHBondContact O-N 3.31Å; H165-H167 AromaticContact CE1-CD2 3.54Å; H165-H167 AromaticContact CE1-CE1 3.12Å; H165-H167 PolarHBondContact CE1-CE1 3.23Å; H165-H167 AromaticContact CE1-CG 3.72Å; H165-H167 AromaticContact CE1-ND1 3.47Å; H165-H167 PolarHBondContact CE1-ND1 3.25Å; H165-H167 AromaticContact CE1-NE2 3.15Å; H165-H167 PolarHBondContact CE1-NE2 3.21Å; H165-H167 AromaticContact CG-NE2 3.96Å; H165-H167 AromaticContact ND1-CD2 3.02Å; H165-H167 PolarHBondContact ND1-CD2 3.09Å; H165-H167 AromaticContact ND1-CE1 3.49Å; H165-H167 PolarHBondContact ND1-CE1 3.21Å; H165-H167 AromaticContact ND1-CG 3.45Å; H165-H167 AromaticContact ND1-ND1 3.71Å; H165-H167 AromaticContact ND1-NE2 3.05Å; H165-H167 PolarHBondContact ND1-NE2 3.34Å; H165-H167 PolarHBondContact O-N 3.49Å |
| 166 | V | 56.4 | Low | 50.8 | Low | 125 Ų | 125 | 146.7 Ų | 146.7 | 76% | 0.758 | 80% | 0.797 | S | S | * | * | | | trans | -72.5 | 98.9 | 176.4 | -178.2 | 0 | 0 | 0 | 0 | 108.8 | Q164 C168 | Q164-V166 PolarHBondContact O-N 3.03Å; V166-C168 PolarHBondContact O-N 3.44Å |
| 167 | H | 54.4 | Low | 51.5 | Low | 123 Ų | 123 | 143 Ų | 143 | 57% | 0.569 | 79% | 0.791 | S | S | * | * | | | trans | -86.1 | 102.2 | 169 | -84 | -74.8 | 0 | 0 | 0 | 110 | H165 Y169 | H165-H167 AromaticContact CE1-CD2 3.54Å; H165-H167 AromaticContact CE1-CE1 3.12Å; H165-H167 PolarHBondContact CE1-CE1 3.23Å; H165-H167 AromaticContact CE1-CG 3.72Å; H165-H167 AromaticContact CE1-ND1 3.47Å; H165-H167 PolarHBondContact CE1-ND1 3.25Å; H165-H167 AromaticContact CE1-NE2 3.15Å; H165-H167 PolarHBondContact CE1-NE2 3.21Å; H165-H167 AromaticContact CG-NE2 3.96Å; H165-H167 AromaticContact ND1-CD2 3.02Å; H165-H167 PolarHBondContact ND1-CD2 3.09Å; H165-H167 AromaticContact ND1-CE1 3.49Å; H165-H167 PolarHBondContact ND1-CE1 3.21Å; H165-H167 AromaticContact ND1-CG 3.45Å; H165-H167 AromaticContact ND1-ND1 3.71Å; H165-H167 AromaticContact ND1-NE2 3.05Å; H165-H167 PolarHBondContact ND1-NE2 3.34Å; H165-H167 PolarHBondContact O-N 3.49Å; H167-Y169 HydrophobicContact CB-CD2 4.02Å; H167-Y169 HydrophobicContact CB-CE2 3.81Å; H167-Y169 PolarHBondContact O-N 3.48Å |
| 168 | C | 50.6 | Low | 52.1 | Low | 116 Ų | 116 | 140.5 Ų | 140.5 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | | | trans | -77.8 | 102.4 | 167.7 | -74.3 | 0 | 0 | 0 | 0 | 110 | V166 | V166-C168 PolarHBondContact O-N 3.44Š|
| 169 | Y | 59.4 | Low | 52.6 | Low | 204 Ų | 204 | 143.9 Ų | 143.9 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | | | trans | -95.5 | 116.9 | 166.5 | -78.9 | -86.4 | 0 | 0 | 0 | 109.6 | H167 | H167-Y169 HydrophobicContact CB-CD2 4.02Å; H167-Y169 HydrophobicContact CB-CE2 3.81Å; H167-Y169 PolarHBondContact O-N 3.48Å |
| 170 | V | 59.6 | Low | 53.1 | Low | 138 Ų | 138 | 142 Ų | 142 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | | | trans | -102.1 | 111.7 | 166.4 | -179.1 | 0 | 0 | 0 | 0 | 107.5 | | |
| 171 | A | 58.1 | Low | 53.3 | Low | 93 Ų | 93 | 141.3 Ų | 141.3 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | | | trans | -81.9 | 117.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | L173 | A171-L173 PolarHBondContact O-N 3.46Š|
| 172 | A | 62.4 | Low | 53.3 | Low | 98 Ų | 98 | 142.5 Ų | 142.5 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | | | trans | -79.2 | 117.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | A174 | A172-A174 PolarHBondContact O-N 3.01Š|
| 173 | L | 60 | Low | 53 | Low | 166 Ų | 166 | 142.5 Ų | 142.5 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | | | trans | -81.2 | 111.9 | 169.2 | -67.4 | 176.8 | 0 | 0 | 0 | 109.2 | A171 T175 | A171-L173 PolarHBondContact O-N 3.46Å; L173-T175 PolarHBondContact O-N 2.91Å |
| 174 | A | 55.8 | Low | 53 | Low | 92 Ų | 92 | 147.9 Ų | 147.9 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | | | trans | -77.1 | 110.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | A172 R176 | A172-A174 PolarHBondContact O-N 3.01Å; A174-R176 PolarHBondContact O-N 3.23Å; A174-R176 VanDerWaalsContact O-N 3.14Å |
| 175 | T | 50.8 | Low | 53.2 | Low | 141 Ų | 141 | 143.7 Ų | 143.7 | 87% | 0.865 | 78% | 0.783 | S | S | * | * | | | trans | -73.6 | 99.8 | 170.2 | 44.2 | 0 | 0 | 0 | 0 | 109.4 | L173 S177 | L173-T175 PolarHBondContact O-N 2.91Å; T175-S177 PolarHBondContact O-N 3.41Å; T175-S177 VanDerWaalsContact O-N 3.17Å |
| 176 | R | 48.5 | Very low | 53 | Low | 242 Ų | 242 | 146.1 Ų | 146.1 | 91% | 0.913 | 79% | 0.792 | S | S | * | * | | | trans | -73 | 104 | 168.4 | -67.7 | -178.4 | 69.5 | 175.2 | 1.1 | 108.5 | A174 S178 | A174-R176 PolarHBondContact O-N 3.23Å; A174-R176 VanDerWaalsContact O-N 3.14Å; R176-S178 PolarHBondContact O-N 3.5Å |
| 177 | S | 53.5 | Low | 53 | Low | 119 Ų | 119 | 151 Ų | 151 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | | | trans | -75.1 | 117.3 | 167.9 | -178.9 | 0 | 0 | 0 | 0 | 109.2 | T175 | T175-S177 PolarHBondContact O-N 3.41Å; T175-S177 VanDerWaalsContact O-N 3.17Å |
| 178 | S | 52.5 | Low | 52.7 | Low | 108 Ų | 108 | 150.2 Ų | 150.2 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | | | trans | -81.4 | 118.5 | 174.1 | 54.2 | 0 | 0 | 0 | 0 | 110.2 | R176 L180 | R176-S178 PolarHBondContact O-N 3.5Å; S178-L180 PolarHBondContact O-N 3.05Å |
| 179 | F | 51.2 | Low | 52.9 | Low | 169 Ų | 169 | 148.8 Ų | 148.8 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | | | trans | -63.6 | 110 | 169.5 | 179.4 | -100.7 | 0 | 0 | 0 | 110.5 | E181 | F179-E181 HydrophobicContact CD1-CB 4.36Å; F179-E181 HydrophobicContact CE1-CB 3.65Å; F179-E181 WeakPolarHBondContact CE1-OE2 3.4Å; F179-E181 HydrophobicContact CE2-CB 4.44Å; F179-E181 HydrophobicContact CZ-CB 3.71Å; F179-E181 HydrophobicContact CZ-CG 4.32Å; F179-E181 WeakPolarHBondContact CZ-OE2 3.31Å |
| 180 | L | 52.7 | Low | 52.9 | Low | 166 Ų | 166 | 145.7 Ų | 145.7 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | | | trans | -116.1 | 91.7 | 165.4 | -172.2 | 67.7 | 0 | 0 | 0 | 108.7 | S178 | S178-L180 PolarHBondContact O-N 3.05Š|
| 181 | E | 49.9 | Very low | 52.6 | Low | 140 Ų | 140 | 148 Ų | 148 | 65% | 0.654 | 78% | 0.78 | S | S | * | * | | | trans | -75.5 | 114.5 | 166.9 | -175.9 | -175.7 | 162.2 | 0 | 0 | 108.9 | F179 | F179-E181 HydrophobicContact CD1-CB 4.36Å; F179-E181 HydrophobicContact CE1-CB 3.65Å; F179-E181 WeakPolarHBondContact CE1-OE2 3.4Å; F179-E181 HydrophobicContact CE2-CB 4.44Å; F179-E181 HydrophobicContact CZ-CB 3.71Å; F179-E181 HydrophobicContact CZ-CG 4.32Å; F179-E181 WeakPolarHBondContact CZ-OE2 3.31Å |
| 182 | K | 48.6 | Very low | 52.3 | Low | 183 Ų | 183 | 150.7 Ų | 150.7 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | | | trans | 174.4 | 96.3 | 150.9 | -97.9 | 160.8 | -174.4 | 178.9 | 0 | 110 | | |
| 183 | N | 40.7 | Very low | 52.1 | Low | 164 Ų | 164 | 153 Ų | 153 | 88% | 0.877 | 77% | 0.772 | S | S | * | * | | | | 175.2 | 152 | 119.2 | -100.4 | -78.1 | 0 | 0 | 0 | 111.2 | | |
| 184 | K | 50.3 | Low | 51.7 | Low | 191 Ų | 191 | 149.8 Ų | 149.8 | 83% | 0.83 | 75% | 0.752 | S | S | * | * | | | trans | -66.4 | 153.2 | -169.1 | -65.6 | 167.3 | 167.9 | 177.2 | 0 | 112.8 | | |
| 185 | S | 52.5 | Low | 51.4 | Low | 103 Ų | 103 | 151.2 Ų | 151.2 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | | | trans | 98.1 | 137.9 | 154.4 | 82.6 | 0 | 0 | 0 | 0 | 118.5 | | |
| 186 | F | 45.8 | Very low | 51.5 | Low | 188 Ų | 188 | 149.9 Ų | 149.9 | 83% | 0.825 | 73% | 0.731 | S | S | * | * | | | trans | 76.2 | 95.3 | 169.5 | -67.6 | -84.9 | 0 | 0 | 0 | 118.6 | | |
| 187 | R | 56.6 | Low | 51.8 | Low | 227 Ų | 227 | 144.9 Ų | 144.9 | 86% | 0.857 | 72% | 0.718 | S | S | * | * | | | trans | -60.6 | 126.1 | 138.7 | -74.3 | -91.2 | -169.7 | 178.4 | 1.4 | 106.9 | | |
| 188 | P | 46.9 | Very low | 51.9 | Low | 107 Ų | 107 | 146.3 Ų | 146.3 | 70% | 0.695 | 71% | 0.705 | S | S | * | * | | | | -108.2 | 132.8 | 113 | -19.1 | 34.7 | 0 | 0 | 0 | 113.1 | | |
| 189 | S | 56.1 | Low | 52.1 | Low | 86 Ų | 86 | 147 Ų | 147 | 60% | 0.601 | 70% | 0.696 | S | S | * | * | | | trans | -41.2 | 140.8 | 168.5 | -45.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 190 | H | 58.2 | Low | 52.3 | Low | 138 Ų | 138 | 142.6 Ų | 142.6 | 64% | 0.639 | 69% | 0.685 | S | S | * | * | | | | 46.4 | 83.2 | 129.9 | -164.7 | -90.5 | 0 | 0 | 0 | 117.4 | | |
| 191 | W | 54.4 | Low | 52.7 | Low | 188 Ų | 188 | 141.6 Ų | 141.6 | 71% | 0.712 | 68% | 0.68 | S | S | * | * | | | trans | -142.3 | 6.3 | 164.8 | 63.5 | -89.9 | 0 | 0 | 0 | 115.5 | | |
| 192 | I | 52 | Low | 53.9 | Low | 149 Ų | 149 | 138.6 Ų | 138.6 | 76% | 0.764 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -117.7 | 52.6 | 166.6 | -61.8 | 160 | 0 | 0 | 0 | 108.7 | | |
| 193 | K | 57.3 | Low | 55.1 | Low | 147 Ų | 147 | 138.5 Ų | 138.5 | 64% | 0.639 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -150.2 | 24.4 | 164.2 | -149.7 | -168 | 174.5 | -165.9 | 0 | 112.1 | | |
| 194 | E | 52.3 | Low | 57.2 | Low | 97 Ų | 97 | 134.9 Ų | 134.9 | 45% | 0.453 | 64% | 0.644 | S | S | . | * | S | Bend | trans | -106.2 | -31.1 | 175.6 | -165.5 | 172 | 173.2 | 0 | 0 | 111.5 | R198 | E194-R198 IonicContact OE1-CZ 3.86Å; E194-R198 IonicContact OE1-NH2 3.74Å; E194-R198 PolarHBondContact OE1-NH2 2.84Å |
| 195 | H | 47.8 | Very low | 58.7 | Low | 122 Ų | 122 | 126.7 Ų | 126.7 | 57% | 0.565 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -75.8 | -24.3 | 175.3 | -72.6 | -78.1 | 0 | 0 | 0 | 113.7 | H199 | H195-H199 PolarHBondContact O-CD2 2.91Å; H195-H199 PolarHBondContact O-N 2.9Å |
| 196 | N | 53.3 | Low | 60.1 | Low | 114 Ų | 114 | 127.7 Ų | 127.7 | 61% | 0.61 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -71.6 | -35.5 | 178.8 | -154.5 | -70.2 | 0 | 0 | 0 | 111.8 | H199 C200 | N196-H199 PolarHBondContact O-N 3.09Å; N196-C200 PolarHBondContact O-N 2.8Å; N196-C200 PolarHBondContact O-SG 3.45Å |
| 197 | E | 55.2 | Low | 61.7 | Low | 137 Ų | 137 | 125.9 Ų | 125.9 | 64% | 0.64 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -68.6 | -42.8 | 178.9 | -169.3 | 174 | 176.7 | 0 | 0 | 111.9 | H199 C200 | E197-H199 PolarHBondContact O-N 2.77Å; E197-C200 PolarHBondContact O-N 3.45Å; E197-C200 VanDerWaalsContact O-N 3.07Å |
| 198 | R | 56.5 | Low | 62.9 | Low | 148 Ų | 148 | 123.1 Ų | 123.1 | 56% | 0.558 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.2 | -28 | 176.2 | -60.2 | -179.5 | -166.7 | 173.7 | 3.5 | 112.8 | E194 | E194-R198 IonicContact OE1-CZ 3.86Å; E194-R198 IonicContact OE1-NH2 3.74Å; E194-R198 PolarHBondContact OE1-NH2 2.84Å |
| 199 | H | 55 | Low | 64.5 | Low | 124 Ų | 124 | 123.5 Ų | 123.5 | 57% | 0.574 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -81.8 | -16.1 | 174.7 | -73.1 | -53.5 | 0 | 0 | 0 | 113.9 | H195 N196 E197 S205 | H195-H199 PolarHBondContact O-CD2 2.91Å; H195-H199 PolarHBondContact O-N 2.9Å; N196-H199 PolarHBondContact O-N 3.09Å; E197-H199 PolarHBondContact O-N 2.77Å; H199-S205 WeakPolarHBondContact O-CB 2.93Å; H199-S205 PolarHBondContact O-OG 2.94Å |
| 200 | C | 55.7 | Low | 65.5 | Low | 75 Ų | 75 | 121.6 Ų | 121.6 | 51% | 0.507 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -83.2 | -11.7 | 175.3 | -70.8 | 0 | 0 | 0 | 0 | 113.5 | N196 E197 S205 | N196-C200 PolarHBondContact O-N 2.8Å; N196-C200 PolarHBondContact O-SG 3.45Å; E197-C200 PolarHBondContact O-N 3.45Å; E197-C200 VanDerWaalsContact O-N 3.07Å; C200-S205 VanDerWaalsContact C-OG 3.3Å; C200-S205 WeakPolarHBondContact CA-OG 3.33Å; C200-S205 PolarHBondContact O-OG 2.91Å |
| 201 | L | 61.1 | Low | 66.4 | Low | 146 Ų | 146 | 120.2 Ų | 120.2 | 76% | 0.764 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -95.6 | -1.9 | 175.3 | -58.7 | 176.8 | 0 | 0 | 0 | 113.5 | | |
| 202 | N | 74.8 | Confident | 67.2 | Low | 76 Ų | 76 | 114.8 Ų | 114.8 | 41% | 0.406 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -69.7 | 135.5 | 176.1 | -174.8 | -46.9 | 0 | 0 | 0 | 110.4 | N204 S205 F206 | N202-N204 PolarHBondContact O-N 2.68Å; N202-N204 WeakPolarHBondContact OD1-CB 3.28Å; N202-N204 PolarHBondContact OD1-N 3.35Å; N202-S205 PolarHBondContact N-OG 3.33Å; N202-S205 PolarHBondContact O-N 3.22Å; N202-S205 PolarHBondContact O-OG 2.97Å; N202-F206 PolarHBondContact O-N 3.38Å; N202-F206 VanDerWaalsContact O-N 3.09Å |
| 203 | R | 75.6 | Confident | 68 | Low | 181 Ų | 181 | 115.5 Ų | 115.5 | 68% | 0.683 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -45.7 | -36.3 | 175.1 | -168.7 | 175.2 | 79.6 | 170.8 | 0.9 | 113 | R207 | R203-R207 WeakPolarHBondContact O-CB 3.47Å; R203-R207 WeakPolarHBondContact O-CG 3.43Å; R203-R207 PolarHBondContact O-N 3.09Å |
| 204 | N | 83.8 | Confident | 68.2 | Low | 89 Ų | 89 | 111.3 Ų | 111.3 | 48% | 0.476 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -76 | -32.3 | 179.4 | -64.1 | -23.5 | 0 | 0 | 0 | 113.4 | N202 R208 | N202-N204 PolarHBondContact O-N 2.68Å; N202-N204 WeakPolarHBondContact OD1-CB 3.28Å; N202-N204 PolarHBondContact OD1-N 3.35Å; N204-R208 WeakPolarHBondContact O-CG 3.46Å; N204-R208 PolarHBondContact O-N 3.15Å; N204-R208 VanDerWaalsContact O-N 3.16Å; N204-R208 PolarHBondContact O-NE 3.26Å |
| 205 | S | 81.7 | Confident | 68.4 | Low | 18 Ų | 18 | 110.2 Ų | 110.2 | 13% | 0.126 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -73 | -39 | 173.5 | 54.9 | 0 | 0 | 0 | 0 | 111.5 | H199 C200 N202 R208 H209 | H199-S205 WeakPolarHBondContact O-CB 2.93Å; H199-S205 PolarHBondContact O-OG 2.94Å; C200-S205 VanDerWaalsContact C-OG 3.3Å; C200-S205 WeakPolarHBondContact CA-OG 3.33Å; C200-S205 PolarHBondContact O-OG 2.91Å; N202-S205 PolarHBondContact N-OG 3.33Å; N202-S205 PolarHBondContact O-N 3.22Å; N202-S205 PolarHBondContact O-OG 2.97Å; S205-R208 PolarHBondContact O-N 3.39Å; S205-H209 WeakPolarHBondContact O-CB 3.26Å; S205-H209 PolarHBondContact O-N 3.45Å |
| 206 | F | 81.6 | Confident | 68.9 | Low | 124 Ų | 124 | 111.6 Ų | 111.6 | 54% | 0.544 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.6 | -43.5 | 172.9 | -172.2 | -112.6 | 0 | 0 | 0 | 112.3 | N202 R208 H209 N210 | N202-F206 PolarHBondContact O-N 3.38Å; N202-F206 VanDerWaalsContact O-N 3.09Å; F206-R208 PolarHBondContact O-N 2.86Å; F206-H209 PolarHBondContact O-N 2.93Å; F206-N210 VanDerWaalsContact CD1-ND2 3.26Å; F206-N210 WeakPolarHBondContact CD1-ND2 3.45Å; F206-N210 WeakPolarHBondContact CE1-ND2 3.4Å; F206-N210 VanDerWaalsContact CZ-ND2 3.28Å; F206-N210 WeakPolarHBondContact CZ-ND2 3.32Å; F206-N210 PolarHBondContact O-N 3.29Å; F206-N210 PolarHBondContact O-ND2 3.36Å |
| 207 | R | 79.4 | Confident | 69.2 | Low | 151 Ų | 151 | 110 Ų | 110 | 57% | 0.57 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -56.9 | -47 | 173.1 | -81.3 | 179.7 | 176.4 | -130.1 | 0.1 | 112.3 | R203 H209 N210 L211 | R203-R207 WeakPolarHBondContact O-CB 3.47Å; R203-R207 WeakPolarHBondContact O-CG 3.43Å; R203-R207 PolarHBondContact O-N 3.09Å; R207-H209 VanDerWaalsContact C-N 3.31Å; R207-H209 PolarHBondContact O-N 3.19Å; R207-N210 PolarHBondContact O-N 3.16Å; R207-L211 WeakPolarHBondContact O-CB 3.48Å; R207-L211 WeakPolarHBondContact O-CD1 3.16Å; R207-L211 VanDerWaalsContact O-CG 3.31Å; R207-L211 WeakPolarHBondContact O-CG 3.35Å; R207-L211 PolarHBondContact O-N 2.84Å |
| 208 | R | 82.8 | Confident | 69.3 | Low | 169 Ų | 169 | 111.5 Ų | 111.5 | 64% | 0.638 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.4 | -38.6 | 177 | -73 | -177.7 | -64.9 | -170.3 | 4 | 112 | N204 S205 F206 T212 | N204-R208 WeakPolarHBondContact O-CG 3.46Å; N204-R208 PolarHBondContact O-N 3.15Å; N204-R208 VanDerWaalsContact O-N 3.16Å; N204-R208 PolarHBondContact O-NE 3.26Å; S205-R208 PolarHBondContact O-N 3.39Å; F206-R208 PolarHBondContact O-N 2.86Å; R208-T212 WeakPolarHBondContact O-CG2 3.47Å; R208-T212 PolarHBondContact O-N 2.95Å; R208-T212 VanDerWaalsContact O-N 3.15Å; R208-T212 PolarHBondContact O-OG1 3.15Å |
| 209 | H | 80.8 | Confident | 69.3 | Low | 115 Ų | 115 | 112.8 Ų | 112.8 | 53% | 0.532 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69.6 | -40.3 | 177.3 | -169.8 | 73.1 | 0 | 0 | 0 | 113 | S205 F206 R207 T212 R213 | S205-H209 WeakPolarHBondContact O-CB 3.26Å; S205-H209 PolarHBondContact O-N 3.45Å; F206-H209 PolarHBondContact O-N 2.93Å; R207-H209 VanDerWaalsContact C-N 3.31Å; R207-H209 PolarHBondContact O-N 3.19Å; H209-T212 PolarHBondContact O-N 3.09Å; H209-T212 PolarHBondContact O-OG1 3.05Å; H209-R213 WeakPolarHBondContact O-CB 3.31Å; H209-R213 PolarHBondContact O-N 3.47Å |
| 210 | N | 77.1 | Confident | 69.4 | Low | 46 Ų | 46 | 113.4 Ų | 113.4 | 25% | 0.246 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -66.1 | -41.8 | 175.8 | -73.1 | -24.3 | 0 | 0 | 0 | 111.9 | F206 R207 T212 R213 D214 | F206-N210 VanDerWaalsContact CD1-ND2 3.26Å; F206-N210 WeakPolarHBondContact CD1-ND2 3.45Å; F206-N210 WeakPolarHBondContact CE1-ND2 3.4Å; F206-N210 VanDerWaalsContact CZ-ND2 3.28Å; F206-N210 WeakPolarHBondContact CZ-ND2 3.32Å; F206-N210 PolarHBondContact O-N 3.29Å; F206-N210 PolarHBondContact O-ND2 3.36Å; R207-N210 PolarHBondContact O-N 3.16Å; N210-T212 VanDerWaalsContact C-N 3.33Å; N210-T212 PolarHBondContact O-N 3.44Å; N210-R213 PolarHBondContact O-N 2.86Å; N210-D214 WeakPolarHBondContact O-CB 3.17Å; N210-D214 PolarHBondContact O-N 3.12Å |
| 211 | L | 76.6 | Confident | 69.5 | Low | 108 Ų | 108 | 118.7 Ų | 118.7 | 57% | 0.565 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -57 | -46.7 | 174.7 | -78 | 161.4 | 0 | 0 | 0 | 111.3 | R207 C215 | R207-L211 WeakPolarHBondContact O-CB 3.48Å; R207-L211 WeakPolarHBondContact O-CD1 3.16Å; R207-L211 VanDerWaalsContact O-CG 3.31Å; R207-L211 WeakPolarHBondContact O-CG 3.35Å; R207-L211 PolarHBondContact O-N 2.84Å; L211-C215 PolarHBondContact O-N 3.05Å; L211-C215 PolarHBondContact O-SG 2.69Å |
| 212 | T | 71.1 | Confident | 69.2 | Low | 75 Ų | 75 | 119.4 Ų | 119.4 | 46% | 0.46 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.1 | -39.3 | 178.1 | 55.3 | 0 | 0 | 0 | 0 | 111.8 | R208 H209 N210 D214 C215 H216 | R208-T212 WeakPolarHBondContact O-CG2 3.47Å; R208-T212 PolarHBondContact O-N 2.95Å; R208-T212 VanDerWaalsContact O-N 3.15Å; R208-T212 PolarHBondContact O-OG1 3.15Å; H209-T212 PolarHBondContact O-N 3.09Å; H209-T212 PolarHBondContact O-OG1 3.05Å; N210-T212 VanDerWaalsContact C-N 3.33Å; N210-T212 PolarHBondContact O-N 3.44Å; T212-D214 PolarHBondContact O-N 3.02Å; T212-C215 PolarHBondContact O-N 3.49Å; T212-H216 PolarHBondContact O-CE1 2.8Å; T212-H216 VanDerWaalsContact O-CE1 3.26Å; T212-H216 PolarHBondContact O-ND1 3.18Å |
| 213 | R | 69.3 | Low | 68.3 | Low | 163 Ų | 163 | 122.8 Ų | 122.8 | 62% | 0.615 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.7 | -39.9 | 178.6 | -151.8 | 179.7 | 73.5 | 106.1 | 5.9 | 112.4 | H209 N210 C215 H216 | H209-R213 WeakPolarHBondContact O-CB 3.31Å; H209-R213 PolarHBondContact O-N 3.47Å; N210-R213 PolarHBondContact O-N 2.86Å; R213-C215 VanDerWaalsContact C-N 3.34Å; R213-C215 PolarHBondContact O-N 3.25Å; R213-H216 PolarHBondContact O-N 3.34Å |
| 214 | D | 59.8 | Low | 67.4 | Low | 60 Ų | 60 | 116.2 Ų | 116.2 | 32% | 0.321 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -75.8 | -21.8 | -179.5 | -64.8 | -20.4 | 0 | 0 | 0 | 113.3 | N210 T212 H216 S217 R218 | N210-D214 WeakPolarHBondContact O-CB 3.17Å; N210-D214 PolarHBondContact O-N 3.12Å; T212-D214 PolarHBondContact O-N 3.02Å; D214-H216 VanDerWaalsContact C-N 3.29Å; D214-H216 PolarHBondContact O-N 3.49Å; D214-S217 PolarHBondContact O-N 3.07Å; D214-R218 PolarHBondContact O-N 3.3Å |
| 215 | C | 58.6 | Low | 66 | Low | 73 Ų | 73 | 120.1 Ų | 120.1 | 49% | 0.493 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.6 | -31.1 | 172 | -71.8 | 0 | 0 | 0 | 0 | 112.7 | L211 T212 R213 | L211-C215 PolarHBondContact O-N 3.05Å; L211-C215 PolarHBondContact O-SG 2.69Å; T212-C215 PolarHBondContact O-N 3.49Å; R213-C215 VanDerWaalsContact C-N 3.34Å; R213-C215 PolarHBondContact O-N 3.25Å |
| 216 | H | 58.3 | Low | 65 | Low | 152 Ų | 152 | 128.2 Ų | 128.2 | 70% | 0.704 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -77.5 | -25.1 | 179.7 | -61.7 | 88.4 | 0 | 0 | 0 | 112.5 | T212 R213 D214 | T212-H216 PolarHBondContact O-CE1 2.8Å; T212-H216 VanDerWaalsContact O-CE1 3.26Å; T212-H216 PolarHBondContact O-ND1 3.18Å; R213-H216 PolarHBondContact O-N 3.34Å; D214-H216 VanDerWaalsContact C-N 3.29Å; D214-H216 PolarHBondContact O-N 3.49Å |
| 217 | S | 58.3 | Low | 64 | Low | 80 Ų | 80 | 128 Ų | 128 | 56% | 0.559 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -79.7 | -36.7 | 175.7 | 177.9 | 0 | 0 | 0 | 0 | 112.1 | D214 Q219 | D214-S217 PolarHBondContact O-N 3.07Å; S217-Q219 VanDerWaalsContact C-N 3.25Å; S217-Q219 PolarHBondContact O-N 3.3Å |
| 218 | R | 57.6 | Low | 63.3 | Low | 169 Ų | 169 | 129 Ų | 129 | 64% | 0.638 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 3.4 | -178.6 | -72.9 | -170.9 | -78.6 | -95.8 | 2.2 | 115.4 | D214 I220 | D214-R218 PolarHBondContact O-N 3.3Å; R218-I220 VanDerWaalsContact C-N 3.33Å |
| 219 | Q | 55.5 | Low | 62.7 | Low | 174 Ų | 174 | 128.7 Ų | 128.7 | 81% | 0.813 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | 11.9 | 171.8 | -74.4 | -129.2 | -31.5 | 0 | 0 | 113.7 | S217 K221 | S217-Q219 VanDerWaalsContact C-N 3.25Å; S217-Q219 PolarHBondContact O-N 3.3Å; Q219-K221 PolarHBondContact O-N 3.29Å |
| 220 | I | 57.3 | Low | 61.9 | Low | 138 Ų | 138 | 128.2 Ų | 128.2 | 71% | 0.708 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -84.1 | 96.3 | 168.6 | -71.5 | 153.5 | 0 | 0 | 0 | 108.5 | R218 H222 | R218-I220 VanDerWaalsContact C-N 3.33Å; I220-H222 PolarHBondContact O-N 3.16Å |
| 221 | K | 59 | Low | 61.2 | Low | 185 Ų | 185 | 131.8 Ų | 131.8 | 80% | 0.804 | 67% | 0.674 | S | S | * | * | | | trans | 18.1 | 102 | 156.3 | -72.6 | 176.2 | 172.4 | 178.1 | 0 | 115.7 | Q219 | Q219-K221 PolarHBondContact O-N 3.29Š|
| 222 | H | 53.6 | Low | 60.5 | Low | 161 Ų | 161 | 135.8 Ų | 135.8 | 75% | 0.745 | 69% | 0.69 | S | S | * | * | | | trans | -124.1 | 99.7 | 142.8 | -154.6 | -88.1 | 0 | 0 | 0 | 109.1 | I220 G224 | I220-H222 PolarHBondContact O-N 3.16Å; H222-G224 PolarHBondContact CE1-O 2.92Å; H222-G224 PolarHBondContact ND1-O 3.36Å |
| 223 | N | 57.6 | Low | 60.2 | Low | 147 Ų | 147 | 142.7 Ų | 142.7 | 79% | 0.786 | 71% | 0.708 | S | S | * | * | | | trans | -62.6 | 131.4 | 159.7 | -69.3 | -43.4 | 0 | 0 | 0 | 108 | | |
| 224 | G | 55 | Low | 59.9 | Low | 43 Ų | 43 | 143 Ų | 143 | 44% | 0.443 | 72% | 0.716 | S | S | . | * | S | Bend | trans | 77.7 | 115.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | H222 F226 | H222-G224 PolarHBondContact CE1-O 2.92Å; H222-G224 PolarHBondContact ND1-O 3.36Å; G224-F226 VanDerWaalsContact C-N 3.28Å; G224-F226 PolarHBondContact O-N 2.68Å |
| 225 | L | 56.1 | Low | 59.8 | Low | 171 Ų | 171 | 148.4 Ų | 148.4 | 90% | 0.895 | 74% | 0.737 | S | S | * | * | | | trans | -64.8 | 88.1 | 160.3 | -72.8 | 153.6 | 0 | 0 | 0 | 108.5 | V227 | L225-V227 VanDerWaalsContact C-N 3.32Å; L225-V227 PolarHBondContact O-N 3.49Å |
| 226 | F | 59.3 | Low | 59.6 | Low | 189 Ų | 189 | 152.1 Ų | 152.1 | 83% | 0.829 | 75% | 0.752 | S | S | * | * | | | trans | -86.3 | 85.2 | 160.7 | -80.7 | -79.6 | 0 | 0 | 0 | 107.8 | G224 H228 | G224-F226 VanDerWaalsContact C-N 3.28Å; G224-F226 PolarHBondContact O-N 2.68Å; F226-H228 PolarHBondContact O-N 3.45Å |
| 227 | V | 60.9 | Low | 59.3 | Low | 119 Ų | 119 | 159.3 Ų | 159.3 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | | | trans | -67.7 | 111.6 | 164.5 | -177.3 | 0 | 0 | 0 | 0 | 106.2 | L225 Q229 | L225-V227 VanDerWaalsContact C-N 3.32Å; L225-V227 PolarHBondContact O-N 3.49Å; V227-Q229 PolarHBondContact O-N 3.39Å |
| 228 | H | 63.9 | Low | 59.3 | Low | 171 Ų | 171 | 163.3 Ų | 163.3 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | | | trans | -66.9 | 96.9 | 172.7 | 178.5 | -86.8 | 0 | 0 | 0 | 108.5 | F226 P230 | F226-H228 PolarHBondContact O-N 3.45Å; H228-P230 WeakPolarHBondContact O-CD 3.35Å |
| 229 | Q | 71.3 | Confident | 59.4 | Low | 163 Ų | 163 | 163 Ų | 163 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 120.8 | 177.8 | -167.2 | 177.5 | -18.7 | 0 | 0 | 109.2 | V227 C231 | V227-Q229 PolarHBondContact O-N 3.39Å; Q229-C231 PolarHBondContact O-N 3.14Å |
| 230 | P | 62.9 | Low | 59.6 | Low | 106 Ų | 106 | 162.4 Ų | 162.4 | 69% | 0.688 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 128.8 | 176.5 | -15.9 | 29.4 | 0 | 0 | 0 | 110.5 | H228 | H228-P230 WeakPolarHBondContact O-CD 3.35Š|
| 231 | C | 63.8 | Low | 59.7 | Low | 121 Ų | 121 | 163.8 Ų | 163.8 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 134 | 175.9 | -57 | 0 | 0 | 0 | 0 | 110.8 | Q229 R233 | Q229-C231 PolarHBondContact O-N 3.14Å; C231-R233 PolarHBondContact O-N 3.17Å |
| 232 | Q | 61.8 | Low | 59.8 | Low | 191 Ų | 191 | 162.5 Ų | 162.5 | 89% | 0.893 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -57 | 118.5 | 174.1 | -104.8 | 176.8 | -19.7 | 0 | 0 | 110.6 | Q234 | Q232-Q234 PolarHBondContact O-N 3.49Š|
| 233 | R | 63.7 | Low | 60.2 | Low | 221 Ų | 221 | 162.6 Ų | 162.6 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | | | trans | -72.9 | 114.1 | 167.6 | -76.4 | -174.1 | 175.5 | -157 | -0.1 | 108.7 | C231 F235 | C231-R233 PolarHBondContact O-N 3.17Å; R233-F235 PolarHBondContact O-N 3.31Å |
| 234 | Q | 64.1 | Low | 60.4 | Low | 170 Ų | 170 | 163.7 Ų | 163.7 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | | | trans | -78.2 | 112.8 | 167.7 | -66.1 | -174 | -42.8 | 0 | 0 | 108.3 | Q232 | Q232-Q234 PolarHBondContact O-N 3.49Š|
| 235 | F | 57.2 | Low | 60.8 | Low | 173 Ų | 173 | 173 Ų | 173 | 76% | 0.759 | 83% | 0.829 | S | S | * | * | | | trans | -79.8 | 115.8 | 166.5 | -68.9 | -84.5 | 0 | 0 | 0 | 107.9 | R233 | R233-F235 PolarHBondContact O-N 3.31Š|
| 236 | N | 53.6 | Low | 61.2 | Low | 151 Ų | 151 | 173.2 Ų | 173.2 | 81% | 0.807 | 82% | 0.824 | S | S | * | * | | | trans | -94.5 | 125.3 | 164.4 | -70.8 | -52.3 | 0 | 0 | 0 | 107.6 | | |
| 237 | Y | 52.1 | Low | 61.4 | Low | 303 Ų | 303 | 171.7 Ų | 171.7 | 100% | 1.188 | 82% | 0.823 | S | S | * | * | | | trans | -75.5 | 0 | 168.4 | -77.8 | -90.3 | 0 | 0 | 0 | 110.8 | | |