| 1 | M | 56.2 | Low | 53.4 | Low | 226 Ų | 226 | 164.5 Ų | 164.5 | 100% | 1.113 | 81% | 0.805 | S | S | * | * | | | | 0 | 8.5 | 0 | -115.3 | -166.5 | -74.8 | 0 | 0 | 115.1 | | |
| 2 | F | 51.3 | Low | 52.6 | Low | 182 Ų | 182 | 166.1 Ų | 166.1 | 80% | 0.798 | 81% | 0.809 | S | S | * | * | | | trans | -107.1 | 0.8 | -175.5 | -65.5 | -75.4 | 0 | 0 | 0 | 116.2 | R4 | F2-R4 VanDerWaalsContact C-N 3.29Å; F2-R4 PolarHBondContact O-N 3.46Å |
| 3 | Q | 54 | Low | 51.7 | Low | 191 Ų | 191 | 162.3 Ų | 162.3 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -4.1 | 178.9 | -66.5 | -168.6 | 16.5 | 0 | 0 | 114.1 | | |
| 4 | R | 59.8 | Low | 51.3 | Low | 231 Ų | 231 | 157.2 Ų | 157.2 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -10.6 | -173.8 | -160.4 | 168.1 | -178.1 | 159.2 | 0.4 | 114.8 | F2 | F2-R4 VanDerWaalsContact C-N 3.29Å; F2-R4 PolarHBondContact O-N 3.46Å |
| 5 | L | 57.1 | Low | 50.8 | Low | 134 Ų | 134 | 154.1 Ų | 154.1 | 70% | 0.702 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -98.4 | -14.6 | -175.2 | -63.9 | 173.8 | 0 | 0 | 0 | 114.5 | K7 | L5-K7 VanDerWaalsContact C-N 3.26Å; L5-K7 PolarHBondContact O-N 3.21Å |
| 6 | N | 49.5 | Very low | 50.1 | Low | 128 Ų | 128 | 151.7 Ų | 151.7 | 68% | 0.684 | 79% | 0.789 | S | S | * | * | G | 310 helix | trans | -76.9 | -9 | 179.8 | -101.2 | -53.3 | 0 | 0 | 0 | 114.1 | | |
| 7 | K | 52.3 | Low | 49.5 | Very low | 184 Ų | 184 | 148.6 Ų | 148.6 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | G | 310 helix | trans | -88.1 | 2.1 | -176.5 | -142.2 | -175.2 | 178.9 | -175.1 | 0 | 114.8 | L5 | L5-K7 VanDerWaalsContact C-N 3.26Å; L5-K7 PolarHBondContact O-N 3.21Å |
| 8 | M | 55.1 | Low | 49.2 | Very low | 171 Ų | 171 | 150.3 Ų | 150.3 | 84% | 0.842 | 79% | 0.793 | S | S | * | * | G | 310 helix | trans | -96.2 | -18.8 | 173 | -95.7 | 178.5 | 62.4 | 0 | 0 | 113.9 | | |
| 9 | F | 54.8 | Low | 49.1 | Very low | 177 Ų | 177 | 151.1 Ų | 151.1 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | -18.5 | -174.5 | -79.8 | -82.8 | 0 | 0 | 0 | 113.9 | | |
| 10 | V | 56.9 | Low | 48.8 | Very low | 129 Ų | 129 | 152.4 Ų | 152.4 | 78% | 0.782 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -145.3 | 77.5 | -178.7 | -164.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 11 | G | 40.2 | Very low | 49 | Very low | 57 Ų | 57 | 149.5 Ų | 149.5 | 59% | 0.588 | 79% | 0.785 | S | S | * | * | | | trans | -156.5 | 85.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 12 | E | 44.3 | Very low | 48.6 | Very low | 183 Ų | 183 | 147.6 Ų | 147.6 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | | | | 84.5 | 129 | 98 | -160.7 | -175.5 | 166.4 | 0 | 0 | 111.2 | | |
| 13 | V | 40.8 | Very low | 48.1 | Very low | 117 Ų | 117 | 147.9 Ų | 147.9 | 71% | 0.709 | 78% | 0.775 | S | S | * | * | | | trans | 94.1 | 98.8 | 153 | 110.2 | 0 | 0 | 0 | 0 | 117.4 | | |
| 14 | S | 45.9 | Very low | 48.2 | Very low | 91 Ų | 91 | 143.3 Ų | 143.3 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | | | | 58.2 | 137 | 119.9 | 63.3 | 0 | 0 | 0 | 0 | 120.9 | | |
| 15 | S | 43.5 | Very low | 48 | Very low | 110 Ų | 110 | 140.6 Ų | 140.6 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | | | trans | 75.8 | 104.6 | 163.4 | 72.2 | 0 | 0 | 0 | 0 | 115.9 | | |
| 16 | S | 39.3 | Very low | 48.1 | Very low | 116 Ų | 116 | 140.5 Ų | 140.5 | 81% | 0.811 | 75% | 0.754 | S | S | * | * | | | | 154.4 | 134.6 | 100.9 | 52.2 | 0 | 0 | 0 | 0 | 111.2 | | |
| 17 | S | 40.6 | Very low | 48.4 | Very low | 100 Ų | 100 | 141.6 Ų | 141.6 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | | | trans | 63.8 | 89.5 | 157.6 | -150.5 | 0 | 0 | 0 | 0 | 118.3 | Q19 | S17-Q19 PolarHBondContact O-N 3.02Å; S17-Q19 VanDerWaalsContact O-N 3.1Å |
| 18 | N | 44.6 | Very low | 48.7 | Very low | 178 Ų | 178 | 137.4 Ų | 137.4 | 95% | 0.952 | 74% | 0.742 | S | S | * | * | | | trans | -65.8 | 99 | 147.2 | -65.3 | -60.3 | 0 | 0 | 0 | 107.4 | | |
| 19 | Q | 46.6 | Very low | 49.1 | Very low | 166 Ų | 166 | 134.9 Ų | 134.9 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | | | trans | -127.1 | 89.5 | 156.5 | -164.8 | 164.6 | 36.6 | 0 | 0 | 107 | S17 | S17-Q19 PolarHBondContact O-N 3.02Å; S17-Q19 VanDerWaalsContact O-N 3.1Å |
| 20 | E | 43.4 | Very low | 49.9 | Very low | 177 Ų | 177 | 134.4 Ų | 134.4 | 83% | 0.827 | 73% | 0.732 | S | S | * | * | | | trans | -60.7 | 123 | 164.3 | -163.7 | 170.4 | -163.5 | 0 | 0 | 106.9 | E22 | E20-E22 PolarHBondContact O-N 3.28Š|
| 21 | P | 52.1 | Low | 50.8 | Low | 92 Ų | 92 | 138.4 Ų | 138.4 | 60% | 0.597 | 73% | 0.733 | S | S | * | * | | | trans | -73.1 | 98.7 | 172.3 | 28.3 | -28.6 | 0 | 0 | 0 | 107.1 | F23 | P21-F23 VanDerWaalsContact C-N 3.34Å; P21-F23 HydrophobicContact CB-CD2 4.44Å; P21-F23 HydrophobicContact CB-CE2 4.06Å; P21-F23 HydrophobicContact CG-CE2 3.96Å; P21-F23 WeakPolarHBondContact O-CD2 3.49Å; P21-F23 PolarHBondContact O-N 2.95Å |
| 22 | E | 48.7 | Very low | 52.4 | Low | 186 Ų | 186 | 142.6 Ų | 142.6 | 87% | 0.869 | 74% | 0.741 | S | S | * | * | | | trans | -61.6 | 99.1 | 163.7 | -119.8 | 179.1 | 176.8 | 0 | 0 | 107.2 | E20 S24 | E20-E22 PolarHBondContact O-N 3.28Å; E22-S24 VanDerWaalsContact C-N 3.31Å; E22-S24 PolarHBondContact O-N 3.19Å |
| 23 | F | 40.4 | Very low | 53.9 | Low | 188 Ų | 188 | 141.5 Ų | 141.5 | 83% | 0.825 | 74% | 0.74 | S | S | * | * | | | trans | -73.2 | 92.7 | 166.2 | -73.4 | -85.6 | 0 | 0 | 0 | 106.8 | P21 E25 | P21-F23 VanDerWaalsContact C-N 3.34Å; P21-F23 HydrophobicContact CB-CD2 4.44Å; P21-F23 HydrophobicContact CB-CE2 4.06Å; P21-F23 HydrophobicContact CG-CE2 3.96Å; P21-F23 WeakPolarHBondContact O-CD2 3.49Å; P21-F23 PolarHBondContact O-N 2.95Å; F23-E25 PolarHBondContact O-N 2.97Å; F23-E25 VanDerWaalsContact O-N 3.08Å |
| 24 | S | 55.5 | Low | 55.6 | Low | 94 Ų | 94 | 140.4 Ų | 140.4 | 66% | 0.657 | 73% | 0.733 | S | S | * | * | | | trans | -70.2 | 100.1 | 166.1 | 65.6 | 0 | 0 | 0 | 0 | 108.1 | E22 K26 | E22-S24 VanDerWaalsContact C-N 3.31Å; E22-S24 PolarHBondContact O-N 3.19Å; S24-K26 PolarHBondContact O-N 3.07Å |
| 25 | E | 57 | Low | 56.9 | Low | 174 Ų | 174 | 142.7 Ų | 142.7 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | | | trans | -67.6 | 83.3 | 162.2 | -178.6 | 174.9 | -149.2 | 0 | 0 | 107.4 | F23 | F23-E25 PolarHBondContact O-N 2.97Å; F23-E25 VanDerWaalsContact O-N 3.08Å |
| 26 | K | 58 | Low | 57.5 | Low | 132 Ų | 132 | 146.5 Ų | 146.5 | 57% | 0.574 | 74% | 0.741 | S | S | * | * | | | trans | -105.4 | 104.3 | 157 | 64.1 | -176 | -165.4 | 69.7 | 0 | 105.5 | S24 D28 | S24-K26 PolarHBondContact O-N 3.07Å; K26-D28 VanDerWaalsContact C-N 3.28Å; K26-D28 IonicContact NZ-OD1 3.03Å; K26-D28 PolarHBondContact NZ-OD1 3.39Å; K26-D28 IonicContact NZ-OD2 2.84Å; K26-D28 PolarHBondContact NZ-OD2 3.41Å; K26-D28 PolarHBondContact O-N 3.44Å |
| 27 | E | 57.2 | Low | 58.6 | Low | 151 Ų | 151 | 147.4 Ų | 147.4 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | | | trans | -63.3 | 95.8 | 166.4 | -72.1 | 173.2 | 147 | 0 | 0 | 106.5 | D29 | E27-D29 PolarHBondContact O-N 3.01Å; E27-D29 VanDerWaalsContact O-N 3.09Å |
| 28 | D | 57.8 | Low | 59.5 | Low | 96 Ų | 96 | 149.1 Ų | 149.1 | 51% | 0.513 | 74% | 0.737 | S | S | . | * | | | trans | -77.8 | 87.2 | 164 | -58.5 | -46.2 | 0 | 0 | 0 | 105.9 | K26 E30 | K26-D28 VanDerWaalsContact C-N 3.28Å; K26-D28 IonicContact NZ-OD1 3.03Å; K26-D28 PolarHBondContact NZ-OD1 3.39Å; K26-D28 IonicContact NZ-OD2 2.84Å; K26-D28 PolarHBondContact NZ-OD2 3.41Å; K26-D28 PolarHBondContact O-N 3.44Å; D28-E30 HydrophobicContact CB-CG 4.35Å; D28-E30 PolarHBondContact O-N 3.18Å |
| 29 | D | 64.3 | Low | 60.1 | Low | 118 Ų | 118 | 145.7 Ų | 145.7 | 63% | 0.631 | 72% | 0.723 | S | S | * | * | | | trans | -66.6 | 62.7 | 166.3 | -81.1 | -30.8 | 0 | 0 | 0 | 109.8 | E27 W31 | E27-D29 PolarHBondContact O-N 3.01Å; E27-D29 VanDerWaalsContact O-N 3.09Å; D29-W31 PolarHBondContact O-N 3.4Å |
| 30 | E | 70.2 | Confident | 60.3 | Low | 167 Ų | 167 | 143.7 Ų | 143.7 | 78% | 0.78 | 73% | 0.725 | S | S | * | * | | | trans | -75.8 | 72.5 | 169.3 | -72.9 | -178.4 | -176.1 | 0 | 0 | 108.6 | D28 I32 | D28-E30 HydrophobicContact CB-CG 4.35Å; D28-E30 PolarHBondContact O-N 3.18Å; E30-I32 PolarHBondContact O-N 2.93Å; E30-I32 VanDerWaalsContact O-N 3.14Å |
| 31 | W | 76.6 | Confident | 60.7 | Low | 214 Ų | 214 | 140.9 Ų | 140.9 | 81% | 0.811 | 72% | 0.721 | S | S | * | * | | | trans | -63.7 | 112.8 | 165.8 | -67.1 | 99.7 | 0 | 0 | 0 | 108.4 | D29 L33 | D29-W31 PolarHBondContact O-N 3.4Å; W31-L33 PolarHBondContact O-N 2.92Å |
| 32 | I | 74.3 | Confident | 60.2 | Low | 145 Ų | 145 | 140.2 Ų | 140.2 | 74% | 0.744 | 73% | 0.73 | S | S | * | * | | | trans | -73.1 | 117.5 | 175.4 | 111.1 | 170.5 | 0 | 0 | 0 | 107.5 | E30 V34 | E30-I32 PolarHBondContact O-N 2.93Å; E30-I32 VanDerWaalsContact O-N 3.14Å; I32-V34 HydrophobicContact CD1-CG2 3.92Å; I32-V34 HydrophobicContact CG1-CG2 3.81Å; I32-V34 PolarHBondContact O-N 3.02Å |
| 33 | L | 74.8 | Confident | 59.6 | Low | 159 Ų | 159 | 141.6 Ų | 141.6 | 83% | 0.832 | 73% | 0.734 | S | S | * | * | | | trans | -77.4 | 113.1 | 165.8 | -77.3 | 119.8 | 0 | 0 | 0 | 107.9 | W31 D35 | W31-L33 PolarHBondContact O-N 2.92Å; L33-D35 PolarHBondContact O-N 3.08Å |
| 34 | V | 76.9 | Confident | 59.7 | Low | 95 Ų | 95 | 138.6 Ų | 138.6 | 58% | 0.576 | 74% | 0.736 | S | S | * | * | | | trans | -86 | 102.7 | 168.7 | -178.7 | 0 | 0 | 0 | 0 | 106.8 | I32 F36 | I32-V34 HydrophobicContact CD1-CG2 3.92Å; I32-V34 HydrophobicContact CG1-CG2 3.81Å; I32-V34 PolarHBondContact O-N 3.02Å; V34-F36 PolarHBondContact O-N 3.08Å; V34-F36 VanDerWaalsContact O-N 3.09Å |
| 35 | D | 72.9 | Confident | 58.9 | Low | 139 Ų | 139 | 138.3 Ų | 138.3 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | | | trans | -65.1 | 109.4 | 166.3 | -71.8 | -28.9 | 0 | 0 | 0 | 107.6 | L33 I37 | L33-D35 PolarHBondContact O-N 3.08Å; D35-I37 VanDerWaalsContact C-N 3.3Å; D35-I37 PolarHBondContact O-N 3.45Å |
| 36 | F | 57.4 | Low | 57.9 | Low | 190 Ų | 190 | 137.8 Ų | 137.8 | 83% | 0.833 | 74% | 0.737 | S | S | * | * | | | trans | -66.9 | 97.5 | 166.6 | -72 | -87.3 | 0 | 0 | 0 | 106.8 | V34 D38 | V34-F36 PolarHBondContact O-N 3.08Å; V34-F36 VanDerWaalsContact O-N 3.09Å; F36-D38 PolarHBondContact O-N 3.24Å |
| 37 | I | 62.5 | Low | 57.1 | Low | 135 Ų | 135 | 141.2 Ų | 141.2 | 69% | 0.692 | 76% | 0.755 | S | S | * | * | | | trans | -57 | 108.8 | 167.1 | 37.7 | 167.2 | 0 | 0 | 0 | 108.4 | D35 T39 | D35-I37 VanDerWaalsContact C-N 3.3Å; D35-I37 PolarHBondContact O-N 3.45Å; I37-T39 HydrophobicContact CB-CG2 4.03Å; I37-T39 PolarHBondContact O-N 2.84Å; I37-T39 PolarHBondContact O-OG1 3.12Å |
| 38 | D | 58.7 | Low | 56.5 | Low | 135 Ų | 135 | 141.4 Ų | 141.4 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | | | trans | -69.6 | 56.1 | 168 | -168 | 17.7 | 0 | 0 | 0 | 110 | F36 C40 | F36-D38 PolarHBondContact O-N 3.24Å; D38-C40 PolarHBondContact O-N 3.25Å |
| 39 | T | 57.1 | Low | 55.9 | Low | 107 Ų | 107 | 145 Ų | 145 | 66% | 0.656 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | 28.4 | -178.9 | 42.1 | 0 | 0 | 0 | 0 | 112.8 | I37 | I37-T39 HydrophobicContact CB-CG2 4.03Å; I37-T39 PolarHBondContact O-N 2.84Å; I37-T39 PolarHBondContact O-OG1 3.12Å |
| 40 | C | 51.4 | Low | 54.8 | Low | 123 Ų | 123 | 148.1 Ų | 148.1 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.4 | 34.9 | 172.8 | -67.4 | 0 | 0 | 0 | 0 | 112 | D38 | D38-C40 PolarHBondContact O-N 3.25Š|
| 41 | T | 50.7 | Low | 53.3 | Low | 119 Ų | 119 | 148.2 Ų | 148.2 | 73% | 0.73 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -138.3 | 102.5 | 162 | -40.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 42 | G | 42.8 | Very low | 51.6 | Low | 77 Ų | 77 | 145.3 Ų | 145.3 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | | | trans | 108.1 | 76.7 | 160.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 43 | F | 35.1 | Very low | 50 | Low | 215 Ų | 215 | 146.5 Ų | 146.5 | 94% | 0.943 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -72 | 134.8 | 137.3 | -88.7 | -87.5 | 0 | 0 | 0 | 107.4 | | |
| 44 | S | 43.5 | Very low | 48.3 | Very low | 126 Ų | 126 | 145.8 Ų | 145.8 | 88% | 0.881 | 78% | 0.776 | S | S | * | * | | | trans | 86.7 | 93.2 | 160.5 | -155 | 0 | 0 | 0 | 0 | 117.3 | | |
| 45 | A | 37 | Very low | 46.6 | Very low | 87 Ų | 87 | 147.8 Ų | 147.8 | 72% | 0.719 | 78% | 0.782 | S | S | * | * | | | trans | -178.8 | 120.2 | 148.9 | 0 | 0 | 0 | 0 | 0 | 105.9 | | |
| 46 | E | 37.2 | Very low | 45 | Very low | 164 Ų | 164 | 145.5 Ų | 145.5 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | | | cis | -158.4 | 133.8 | 6 | -51.2 | -175.6 | 160.5 | 0 | 0 | 104.6 | | |
| 47 | E | 39.9 | Very low | 44.1 | Very low | 204 Ų | 204 | 144.8 Ų | 144.8 | 95% | 0.953 | 78% | 0.776 | S | S | * | * | | | trans | -88.5 | 114.2 | 155.3 | -75.8 | -173.6 | 168.3 | 0 | 0 | 105 | | |
| 48 | E | 45.6 | Very low | 42.8 | Very low | 155 Ų | 155 | 146.6 Ų | 146.6 | 72% | 0.724 | 78% | 0.781 | S | S | * | * | | | trans | -81.7 | 145.8 | 171.5 | -73.6 | -174.6 | 140.7 | 0 | 0 | 110.4 | | |
| 49 | E | 45.4 | Very low | 42.1 | Very low | 172 Ų | 172 | 144.7 Ų | 144.7 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | trans | 81.2 | 104 | 160.6 | -42.2 | -156.7 | 162 | 0 | 0 | 117.3 | | |
| 50 | E | 40 | Very low | 42 | Very low | 182 Ų | 182 | 145 Ų | 145 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | | | | 179.4 | 115.2 | 110.4 | -91.2 | 175.5 | -161.8 | 0 | 0 | 111.2 | | |
| 51 | E | 39.3 | Very low | 41.2 | Very low | 169 Ų | 169 | 145.3 Ų | 145.3 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | | | trans | 58.4 | 112.5 | 133.3 | -66.2 | -165.9 | -178.1 | 0 | 0 | 123.3 | | |
| 52 | E | 40.8 | Very low | 40.5 | Very low | 153 Ų | 153 | 147.6 Ų | 147.6 | 72% | 0.715 | 78% | 0.783 | S | S | * | * | | | | 91.1 | 127.5 | 124.4 | -58.6 | -65.2 | 173.6 | 0 | 0 | 123.5 | | |
| 53 | E | 40.8 | Very low | 40.7 | Very low | 171 Ų | 171 | 152.8 Ų | 152.8 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | | | trans | 72.8 | 113.1 | 144.4 | -68.8 | -171.8 | 171.2 | 0 | 0 | 123.9 | | |
| 54 | D | 39.9 | Very low | 41.2 | Very low | 143 Ų | 143 | 148 Ų | 148 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | | | | 75.7 | 105.6 | 120.3 | -152.1 | 30.9 | 0 | 0 | 0 | 119.8 | | |
| 55 | I | 40.2 | Very low | 41.8 | Very low | 138 Ų | 138 | 147.4 Ų | 147.4 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | | | | 174.2 | 131.9 | 97.5 | 70.6 | 169.5 | 0 | 0 | 0 | 112 | | |
| 56 | S | 39.2 | Very low | 42.2 | Very low | 91 Ų | 91 | 147.6 Ų | 147.6 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | | | trans | 37.8 | 117 | 141.9 | 64.3 | 0 | 0 | 0 | 0 | 124.2 | | |
| 57 | E | 38.7 | Very low | 42.6 | Very low | 175 Ų | 175 | 148 Ų | 148 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | | | | 90.4 | 128.3 | 117.6 | -66.8 | -160.2 | 175.4 | 0 | 0 | 124.6 | | |
| 58 | E | 34.6 | Very low | 43 | Very low | 172 Ų | 172 | 143.5 Ų | 143.5 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | | | trans | 68.8 | 129.8 | 139.1 | -161.3 | 176 | 158.4 | 0 | 0 | 118.5 | | |
| 59 | S | 44.1 | Very low | 42.7 | Very low | 96 Ų | 96 | 141.2 Ų | 141.2 | 67% | 0.671 | 76% | 0.755 | S | S | * | * | | | cis | -167.2 | 178.2 | 4.7 | 47.2 | 0 | 0 | 0 | 0 | 108.3 | | |
| 60 | P | 55.1 | Low | 43 | Very low | 112 Ų | 112 | 140.1 Ų | 140.1 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | | | trans | -107.1 | 137.2 | -168.4 | 37.1 | -25.7 | 0 | 0 | 0 | 113.9 | | |
| 61 | T | 35 | Very low | 43 | Very low | 130 Ų | 130 | 137.4 Ų | 137.4 | 80% | 0.798 | 75% | 0.752 | S | S | * | * | | | trans | 176 | 139.3 | 160 | 8.4 | 0 | 0 | 0 | 0 | 105.6 | | |
| 62 | E | 36.1 | Very low | 43.4 | Very low | 168 Ų | 168 | 134.4 Ų | 134.4 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | | | cis | -172.9 | 128.3 | 39.2 | -122.8 | 157 | -165.6 | 0 | 0 | 105 | P64 | E62-P64 WeakPolarHBondContact O-CD 3.49Š|
| 63 | H | 46.8 | Very low | 43.7 | Very low | 186 Ų | 186 | 132.8 Ų | 132.8 | 86% | 0.861 | 76% | 0.762 | S | S | * | * | | | trans | -76 | 122.5 | 160.3 | -68.7 | -83.2 | 0 | 0 | 0 | 107.8 | S65 | H63-S65 PolarHBondContact O-N 3.32Š|
| 64 | P | 46.5 | Very low | 44.3 | Very low | 113 Ų | 113 | 132.3 Ų | 132.3 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | | | trans | -80.4 | 84.5 | 158.5 | 32.5 | -28.4 | 0 | 0 | 0 | 107.3 | E62 V66 | E62-P64 WeakPolarHBondContact O-CD 3.49Å; P64-V66 HydrophobicContact CB-CG2 3.72Å; P64-V66 PolarHBondContact O-N 3.16Å |
| 65 | S | 56.5 | Low | 44.6 | Very low | 115 Ų | 115 | 134.1 Ų | 134.1 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | | | trans | -60.5 | 106.9 | 147.7 | 175.1 | 0 | 0 | 0 | 0 | 106.6 | H63 | H63-S65 PolarHBondContact O-N 3.32Š|
| 66 | V | 45.5 | Very low | 44.7 | Very low | 90 Ų | 90 | 133 Ų | 133 | 55% | 0.545 | 77% | 0.771 | S | S | . | * | | | trans | -144.1 | 124.1 | 169.6 | -130 | 0 | 0 | 0 | 0 | 110.7 | P64 | P64-V66 HydrophobicContact CB-CG2 3.72Å; P64-V66 PolarHBondContact O-N 3.16Å |
| 67 | F | 44.4 | Very low | 44.8 | Very low | 172 Ų | 172 | 136.2 Ų | 136.2 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | | | trans | 80.9 | 66.5 | 167.6 | -49.4 | -65.1 | 0 | 0 | 0 | 116.9 | C69 | F67-C69 PolarHBondContact O-N 3.09Š|
| 68 | S | 47.6 | Very low | 45.3 | Very low | 110 Ų | 110 | 132.3 Ų | 132.3 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | | | trans | -55.9 | 104.8 | 135.3 | -160.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 69 | C | 41.1 | Very low | 45.7 | Very low | 107 Ų | 107 | 131.3 Ų | 131.3 | 72% | 0.723 | 78% | 0.778 | S | S | * | * | | | trans | -114.5 | 76.7 | 167.9 | -70.5 | 0 | 0 | 0 | 0 | 108.4 | F67 | F67-C69 PolarHBondContact O-N 3.09Š|
| 70 | L | 50.8 | Low | 45.9 | Very low | 150 Ų | 150 | 132.1 Ų | 132.1 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | trans | -77.9 | 129.6 | 160.7 | -66.5 | 171.6 | 0 | 0 | 0 | 107.8 | A72 | L70-A72 PolarHBondContact O-N 2.62Å; L70-A72 VanDerWaalsContact O-N 3.09Å |
| 71 | P | 40.4 | Very low | 45.9 | Very low | 124 Ų | 124 | 131.4 Ų | 131.4 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | | | trans | -71.5 | 108 | 173.2 | 27.6 | -30.4 | 0 | 0 | 0 | 109.5 | S73 | P71-S73 PolarHBondContact O-N 2.95Å; P71-S73 VanDerWaalsContact O-N 3.16Å |
| 72 | A | 48.3 | Very low | 46.9 | Very low | 107 Ų | 107 | 132.8 Ų | 132.8 | 88% | 0.884 | 78% | 0.779 | S | S | * | * | | | trans | -70.8 | 96.5 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | L70 | L70-A72 PolarHBondContact O-N 2.62Å; L70-A72 VanDerWaalsContact O-N 3.09Å |
| 73 | S | 46.9 | Very low | 47.5 | Very low | 118 Ų | 118 | 129.6 Ų | 129.6 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | | | trans | -156.2 | 67.7 | 157 | -161 | 0 | 0 | 0 | 0 | 109.7 | P71 | P71-S73 PolarHBondContact O-N 2.95Å; P71-S73 VanDerWaalsContact O-N 3.16Å |
| 74 | L | 52.4 | Low | 47.6 | Very low | 162 Ų | 162 | 126.6 Ų | 126.6 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | | | trans | -123.8 | 94.2 | 155.5 | -163.1 | -167.3 | 0 | 0 | 0 | 104.9 | | |
| 75 | E | 46.8 | Very low | 47.5 | Very low | 180 Ų | 180 | 130.2 Ų | 130.2 | 84% | 0.841 | 78% | 0.779 | S | S | * | * | | | trans | -172.3 | 123.3 | 150.8 | -107.2 | 165 | -166.9 | 0 | 0 | 111 | | |
| 76 | C | 42.7 | Very low | 47.6 | Very low | 114 Ų | 114 | 131.8 Ų | 131.8 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | | | trans | 64.9 | 120.9 | 153.2 | -114.9 | 0 | 0 | 0 | 0 | 117.2 | | |
| 77 | L | 41.4 | Very low | 47.9 | Very low | 159 Ų | 159 | 136.4 Ų | 136.4 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | | | | -154.6 | 138.7 | 59.4 | -76 | 161.8 | 0 | 0 | 0 | 110.9 | | |
| 78 | A | 48.3 | Very low | 48 | Very low | 94 Ų | 94 | 137 Ų | 137 | 78% | 0.777 | 80% | 0.796 | S | S | * | * | | | trans | -65.7 | 149.2 | 156.7 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 79 | D | 43.8 | Very low | 48 | Very low | 150 Ų | 150 | 140.5 Ų | 140.5 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | | | trans | 88.7 | 96.1 | 165.6 | -143 | 24.8 | 0 | 0 | 0 | 116.3 | | |
| 80 | T | 48.7 | Very low | 48.5 | Very low | 114 Ų | 114 | 141 Ų | 141 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | | | | -177.5 | 128.5 | 85.7 | 52.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 81 | S | 54.8 | Low | 48.2 | Very low | 96 Ų | 96 | 139 Ų | 139 | 67% | 0.671 | 80% | 0.802 | S | S | * | * | | | trans | 44.8 | 116.7 | 152.6 | 64.8 | 0 | 0 | 0 | 0 | 121.1 | | |
| 82 | D | 54.8 | Low | 49 | Very low | 159 Ų | 159 | 138.9 Ų | 138.9 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | | | trans | 70.4 | 87.2 | 143.9 | -48.7 | -34 | 0 | 0 | 0 | 119.5 | | |
| 83 | S | 48.8 | Very low | 48.9 | Very low | 101 Ų | 101 | 142 Ų | 142 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | | | trans | -170.5 | 128.3 | 135.6 | -163.1 | 0 | 0 | 0 | 0 | 111.7 | F85 | S83-F85 PolarHBondContact O-N 3.12Å; S83-F85 VanDerWaalsContact O-N 3.08Å |
| 84 | C | 48.6 | Very low | 49.5 | Very low | 124 Ų | 124 | 144.4 Ų | 144.4 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | | | trans | -64 | 99.8 | -172 | -56.3 | 0 | 0 | 0 | 0 | 113.4 | | |
| 85 | F | 44.7 | Very low | 49.6 | Very low | 189 Ų | 189 | 144.4 Ų | 144.4 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | | | trans | -107.2 | 110.3 | 158.6 | -71.7 | -84.6 | 0 | 0 | 0 | 108.2 | S83 Q87 | S83-F85 PolarHBondContact O-N 3.12Å; S83-F85 VanDerWaalsContact O-N 3.08Å; F85-Q87 PolarHBondContact O-N 2.78Å |
| 86 | L | 60.1 | Low | 50.4 | Low | 147 Ų | 147 | 140.9 Ų | 140.9 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | | | trans | -70 | 100.8 | 176.8 | -64.9 | 175.6 | 0 | 0 | 0 | 108.7 | F88 | L86-F88 HydrophobicContact CB-CE2 4.42Å; L86-F88 PolarHBondContact O-N 2.84Å; L86-F88 VanDerWaalsContact O-N 3.08Å |
| 87 | Q | 49.8 | Very low | 51.4 | Low | 188 Ų | 188 | 145.5 Ų | 145.5 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | | | trans | -63.8 | 101.4 | 167.9 | -177.2 | 171.9 | -11.4 | 0 | 0 | 108.3 | F85 E89 | F85-Q87 PolarHBondContact O-N 2.78Å; Q87-E89 PolarHBondContact O-N 3.04Å; Q87-E89 VanDerWaalsContact O-N 3.12Å |
| 88 | F | 48.4 | Very low | 52.3 | Low | 183 Ų | 183 | 147.9 Ų | 147.9 | 80% | 0.803 | 79% | 0.794 | S | S | * | * | | | trans | -74.6 | 102.2 | 174.3 | -94.3 | -89.2 | 0 | 0 | 0 | 109.3 | L86 S90 | L86-F88 HydrophobicContact CB-CE2 4.42Å; L86-F88 PolarHBondContact O-N 2.84Å; L86-F88 VanDerWaalsContact O-N 3.08Å; F88-S90 PolarHBondContact O-N 3.36Å |
| 89 | E | 46.8 | Very low | 53.5 | Low | 184 Ų | 184 | 149.8 Ų | 149.8 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | | | trans | -61.5 | 124.9 | 169 | -155.5 | 171.9 | -155.9 | 0 | 0 | 109 | Q87 C91 | Q87-E89 PolarHBondContact O-N 3.04Å; Q87-E89 VanDerWaalsContact O-N 3.12Å; E89-C91 PolarHBondContact O-N 2.82Å |
| 90 | S | 51.3 | Low | 54.7 | Low | 117 Ų | 117 | 148.4 Ų | 148.4 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | -68.9 | 110.9 | -177 | -57.5 | 0 | 0 | 0 | 0 | 110.6 | F88 P92 | F88-S90 PolarHBondContact O-N 3.36Å; S90-P92 WeakPolarHBondContact O-CD 3.17Å |
| 91 | C | 45.3 | Very low | 55.6 | Low | 110 Ų | 110 | 145.7 Ų | 145.7 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | | | trans | -81.1 | 119.7 | 171.4 | -172.7 | 0 | 0 | 0 | 0 | 109.5 | E89 M93 | E89-C91 PolarHBondContact O-N 2.82Å; C91-M93 PolarHBondContact O-N 3.29Å |
| 92 | P | 57.1 | Low | 56.4 | Low | 121 Ų | 121 | 144.4 Ų | 144.4 | 79% | 0.786 | 76% | 0.761 | S | S | * | * | | | trans | -87 | 103.1 | 175.8 | 33.1 | -25.4 | 0 | 0 | 0 | 108 | S90 | S90-P92 WeakPolarHBondContact O-CD 3.17Š|
| 93 | M | 45 | Very low | 56.9 | Low | 171 Ų | 171 | 141.7 Ų | 141.7 | 84% | 0.842 | 75% | 0.752 | S | S | * | * | | | trans | -138.2 | 118.9 | 160.5 | -120.3 | 163.9 | 67.6 | 0 | 0 | 109.3 | C91 | C91-M93 PolarHBondContact O-N 3.29Š|
| 94 | E | 59.4 | Low | 57.4 | Low | 170 Ų | 170 | 141.9 Ų | 141.9 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | | | trans | -34.2 | 149.3 | 165.1 | -95.2 | 158.1 | 143.8 | 0 | 0 | 113.2 | | |
| 95 | E | 54.6 | Low | 58.1 | Low | 162 Ų | 162 | 143.4 Ų | 143.4 | 76% | 0.757 | 75% | 0.745 | S | S | * | * | | | trans | 88.1 | 88.9 | 158.6 | -61.5 | 152.8 | -162.9 | 0 | 0 | 117.4 | | |
| 96 | S | 64.6 | Low | 58.7 | Low | 106 Ų | 106 | 138.8 Ų | 138.8 | 74% | 0.741 | 73% | 0.732 | S | S | * | * | | | | 62.4 | 81.4 | 110 | -61.1 | 0 | 0 | 0 | 0 | 117 | | |
| 97 | W | 62.6 | Low | 58.7 | Low | 211 Ų | 211 | 135.8 Ų | 135.8 | 80% | 0.799 | 73% | 0.728 | S | S | * | * | | | | -174 | 54.9 | 121.4 | 57.4 | -78.9 | 0 | 0 | 0 | 111.6 | I99 | W97-I99 PolarHBondContact O-N 3.09Š|
| 98 | F | 61 | Low | 59.1 | Low | 208 Ų | 208 | 129.6 Ų | 129.6 | 91% | 0.912 | 72% | 0.715 | S | S | * | * | | | trans | -74.5 | 79.9 | 164.6 | -66.1 | -73.6 | 0 | 0 | 0 | 109.1 | T100 | F98-T100 PolarHBondContact O-N 3.08Š|
| 99 | I | 73 | Confident | 59.7 | Low | 135 Ų | 135 | 123.8 Ų | 123.8 | 69% | 0.692 | 71% | 0.707 | S | S | * | * | | | trans | -62.7 | 108.8 | 160.5 | -64.1 | 171.3 | 0 | 0 | 0 | 104.9 | W97 P101 | W97-I99 PolarHBondContact O-N 3.09Å; I99-P101 VanDerWaalsContact O-CD 3.26Å; I99-P101 WeakPolarHBondContact O-CD 3.15Å; I99-P101 VanDerWaalsContact O-N 3.08Å |
| 100 | T | 68.6 | Low | 60.2 | Low | 121 Ų | 121 | 123.6 Ų | 123.6 | 74% | 0.742 | 71% | 0.711 | S | S | * | * | | | trans | -62.2 | 114.5 | 170.8 | -60.9 | 0 | 0 | 0 | 0 | 106.2 | F98 | F98-T100 PolarHBondContact O-N 3.08Š|
| 101 | P | 68.7 | Low | 60.3 | Low | 56 Ų | 56 | 122.8 Ų | 122.8 | 36% | 0.364 | 70% | 0.701 | S | S | . | * | | | trans | -63.9 | 149 | -176 | 29.1 | -35.2 | 0 | 0 | 0 | 108.4 | I99 F105 T106 | I99-P101 VanDerWaalsContact O-CD 3.26Å; I99-P101 WeakPolarHBondContact O-CD 3.15Å; I99-P101 VanDerWaalsContact O-N 3.08Å; P101-F105 HydrophobicContact CB-CB 3.77Å; P101-F105 HydrophobicContact CB-CD2 4.24Å; P101-F105 HydrophobicContact CB-CG 3.98Å; P101-F105 HydrophobicContact CG-CB 4.11Å; P101-T106 HydrophobicContact CG-CG2 4.21Å |
| 102 | P | 71.9 | Confident | 60.8 | Low | 69 Ų | 69 | 124 Ų | 124 | 45% | 0.448 | 71% | 0.706 | S | S | . | * | | | trans | -50.2 | 150.9 | -177.8 | -26.8 | 32.8 | 0 | 0 | 0 | 111.4 | C104 F105 | P102-C104 PolarHBondContact O-N 3.08Å; P102-F105 HydrophobicContact CB-CD2 4.26Å; P102-F105 HydrophobicContact CG-CD2 4.25Å; P102-F105 HydrophobicContact CG-CE2 4.35Å; P102-F105 WeakPolarHBondContact O-CB 2.72Å; P102-F105 PolarHBondContact O-N 2.98Å |
| 103 | P | 65.8 | Low | 60.8 | Low | 102 Ų | 102 | 124.6 Ų | 124.6 | 66% | 0.662 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -53.1 | -23.5 | -176.1 | -25.8 | 32.5 | 0 | 0 | 0 | 114.1 | F105 T106 A107 | P103-F105 PolarHBondContact O-N 2.94Å; P103-T106 PolarHBondContact O-N 2.64Å; P103-A107 WeakPolarHBondContact O-CB 3.19Å; P103-A107 PolarHBondContact O-N 3.22Å |
| 104 | C | 58.7 | Low | 61.5 | Low | 105 Ų | 105 | 123.8 Ų | 123.8 | 71% | 0.709 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -67.2 | -11.6 | 173.6 | 53.1 | 0 | 0 | 0 | 0 | 115.1 | P102 | P102-C104 PolarHBondContact O-N 3.08Å |
| 105 | F | 61.9 | Low | 61.8 | Low | 156 Ų | 156 | 120.9 Ų | 120.9 | 68% | 0.684 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -92.5 | -24.7 | 171.8 | -76 | -95.7 | 0 | 0 | 0 | 113 | P101 P102 P103 | P101-F105 HydrophobicContact CB-CB 3.77Å; P101-F105 HydrophobicContact CB-CD2 4.24Å; P101-F105 HydrophobicContact CB-CG 3.98Å; P101-F105 HydrophobicContact CG-CB 4.11Å; P102-F105 HydrophobicContact CB-CD2 4.26Å; P102-F105 HydrophobicContact CG-CD2 4.25Å; P102-F105 HydrophobicContact CG-CE2 4.35Å; P102-F105 WeakPolarHBondContact O-CB 2.72Å; P102-F105 PolarHBondContact O-N 2.98Å; P103-F105 PolarHBondContact O-N 2.94Å |
| 106 | T | 58.8 | Low | 62.5 | Low | 92 Ų | 92 | 119.5 Ų | 119.5 | 56% | 0.564 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -108.9 | -12.8 | -177 | 50.4 | 0 | 0 | 0 | 0 | 113.7 | P101 P103 G108 | P101-T106 HydrophobicContact CG-CG2 4.21Å; P103-T106 PolarHBondContact O-N 2.64Å; T106-G108 PolarHBondContact O-N 3.44Å |
| 107 | A | 59.2 | Low | 62.8 | Low | 84 Ų | 84 | 118.9 Ų | 118.9 | 69% | 0.694 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -71.3 | -8.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | P103 G109 | P103-A107 WeakPolarHBondContact O-CB 3.19Å; P103-A107 PolarHBondContact O-N 3.22Å; A107-G109 PolarHBondContact O-N 2.72Å |
| 108 | G | 58.9 | Low | 63.3 | Low | 58 Ų | 58 | 112 Ų | 112 | 60% | 0.598 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -88.5 | 84.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | T106 L110 | T106-G108 PolarHBondContact O-N 3.44Å; G108-L110 PolarHBondContact O-N 2.78Å |
| 109 | G | 60.8 | Low | 63.7 | Low | 62 Ų | 62 | 108.1 Ų | 108.1 | 64% | 0.639 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.7 | 126.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A107 T111 | A107-G109 PolarHBondContact O-N 2.72Å; G109-T111 PolarHBondContact O-N 2.76Å |
| 110 | L | 57.6 | Low | 63.2 | Low | 179 Ų | 179 | 108.3 Ų | 108.3 | 94% | 0.937 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 26.7 | 51.6 | 159.6 | -152 | 75.2 | 0 | 0 | 0 | 116.5 | G108 | G108-L110 PolarHBondContact O-N 2.78Š|
| 111 | T | 52.3 | Low | 63.3 | Low | 101 Ų | 101 | 107 Ų | 107 | 62% | 0.62 | 64% | 0.636 | S | S | * | * | | | trans | -114.9 | 104.1 | 156.2 | 55.2 | 0 | 0 | 0 | 0 | 104.2 | G109 I113 | G109-T111 PolarHBondContact O-N 2.76Å; T111-I113 PolarHBondContact O-N 3.01Å |
| 112 | T | 57.2 | Low | 63 | Low | 136 Ų | 136 | 109.2 Ų | 109.2 | 83% | 0.834 | 65% | 0.645 | S | S | * | * | | | trans | -56.9 | 90.1 | 159.7 | 50.8 | 0 | 0 | 0 | 0 | 105.1 | K114 | T112-K114 PolarHBondContact O-N 2.89Š|
| 113 | I | 56.4 | Low | 62.7 | Low | 133 Ų | 133 | 112.2 Ų | 112.2 | 68% | 0.682 | 66% | 0.657 | S | S | * | * | | | trans | -59.8 | 101.6 | 168.5 | -70.1 | 173.2 | 0 | 0 | 0 | 102.7 | T111 V115 | T111-I113 PolarHBondContact O-N 3.01Å; I113-V115 HydrophobicContact CG2-CG2 3.86Å; I113-V115 PolarHBondContact O-N 3.43Å |
| 114 | K | 60.2 | Low | 62.5 | Low | 153 Ų | 153 | 114.8 Ų | 114.8 | 67% | 0.665 | 66% | 0.664 | S | S | * | * | | | trans | -63.4 | 89 | 167 | -175.2 | -172.6 | 175.7 | -153 | 0 | 104 | T112 E116 | T112-K114 PolarHBondContact O-N 2.89Å; K114-E116 VanDerWaalsContact CD-OE1 3.3Å; K114-E116 WeakPolarHBondContact CD-OE1 3.16Å; K114-E116 WeakPolarHBondContact CE-OE1 3.39Å; K114-E116 IonicContact NZ-OE1 2.61Å; K114-E116 PolarHBondContact NZ-OE1 2.8Å; K114-E116 IonicContact NZ-OE2 2.64Å; K114-E116 PolarHBondContact NZ-OE2 3.41Å; K114-E116 PolarHBondContact O-N 3.41Å |
| 115 | V | 64.6 | Low | 62.8 | Low | 109 Ų | 109 | 115.2 Ų | 115.2 | 66% | 0.661 | 66% | 0.658 | S | S | * | * | | | trans | -64.5 | 98.4 | 169.5 | 178 | 0 | 0 | 0 | 0 | 103.4 | I113 T117 | I113-V115 HydrophobicContact CG2-CG2 3.86Å; I113-V115 PolarHBondContact O-N 3.43Å; V115-T117 VanDerWaalsContact O-CG2 3.31Å; V115-T117 WeakPolarHBondContact O-CG2 3.17Å; V115-T117 PolarHBondContact O-N 2.93Å |
| 116 | E | 70.5 | Confident | 62.9 | Low | 133 Ų | 133 | 116.2 Ų | 116.2 | 62% | 0.621 | 67% | 0.665 | S | S | * | * | | | trans | -59.8 | 111.5 | 170.5 | -65.5 | -70.1 | 171.4 | 0 | 0 | 105.5 | K114 S118 | K114-E116 VanDerWaalsContact CD-OE1 3.3Å; K114-E116 WeakPolarHBondContact CD-OE1 3.16Å; K114-E116 WeakPolarHBondContact CE-OE1 3.39Å; K114-E116 IonicContact NZ-OE1 2.61Å; K114-E116 PolarHBondContact NZ-OE1 2.8Å; K114-E116 IonicContact NZ-OE2 2.64Å; K114-E116 PolarHBondContact NZ-OE2 3.41Å; K114-E116 PolarHBondContact O-N 3.41Å; E116-S118 PolarHBondContact O-N 2.93Å |
| 117 | T | 70.6 | Confident | 63 | Low | 94 Ų | 94 | 119.2 Ų | 119.2 | 58% | 0.577 | 67% | 0.672 | S | S | * | * | | | trans | -72 | 128.1 | -176.7 | 79.3 | 0 | 0 | 0 | 0 | 105.6 | V115 E121 | V115-T117 VanDerWaalsContact O-CG2 3.31Å; V115-T117 WeakPolarHBondContact O-CG2 3.17Å; V115-T117 PolarHBondContact O-N 2.93Å; T117-E121 WeakPolarHBondContact CA-OE1 3.29Å; T117-E121 WeakPolarHBondContact CA-OE2 3.15Å; T117-E121 WeakPolarHBondContact CB-OE1 3.36Å; T117-E121 WeakPolarHBondContact CB-OE2 3.39Å; T117-E121 PolarHBondContact OG1-OE1 3.11Å |
| 118 | S | 72.9 | Confident | 63.3 | Low | 65 Ų | 65 | 121.3 Ų | 121.3 | 46% | 0.455 | 68% | 0.679 | S | S | . | * | | | trans | -72.1 | 133.6 | -170 | 175.5 | 0 | 0 | 0 | 0 | 109.6 | E116 M120 E121 | E116-S118 PolarHBondContact O-N 2.93Å; S118-M120 PolarHBondContact O-N 3.01Å; S118-E121 PolarHBondContact N-OE1 3.39Å; S118-E121 VanDerWaalsContact N-OE1 3.12Å; S118-E121 PolarHBondContact N-OE2 3.1Å; S118-E121 WeakPolarHBondContact O-CB 3.26Å; S118-E121 WeakPolarHBondContact O-CG 3.05Å; S118-E121 PolarHBondContact O-N 2.81Å |
| 119 | P | 68.9 | Low | 63.3 | Low | 128 Ų | 128 | 123.1 Ų | 123.1 | 83% | 0.831 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53 | -16.7 | -179 | -27.4 | 33.8 | 0 | 0 | 0 | 115.9 | | |
| 120 | M | 63.6 | Low | 63.2 | Low | 138 Ų | 138 | 128.2 Ų | 128.2 | 68% | 0.68 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -11.4 | 176.7 | -74.2 | 178.2 | 58.2 | 0 | 0 | 114.9 | S118 N122 L123 | S118-M120 PolarHBondContact O-N 3.01Å; M120-N122 PolarHBondContact O-N 3.46Å; M120-L123 HydrophobicContact CB-CD1 4.21Å; M120-L123 HydrophobicContact CG-CD1 4.24Å; M120-L123 WeakPolarHBondContact O-CB 3.3Å; M120-L123 WeakPolarHBondContact O-CG 3.06Å; M120-L123 PolarHBondContact O-N 3.48Å |
| 121 | E | 69 | Low | 63.2 | Low | 93 Ų | 93 | 124.9 Ų | 124.9 | 44% | 0.435 | 68% | 0.683 | S | S | . | * | G | 310 helix | trans | -70.5 | -23.3 | -176.3 | 78.8 | -149.6 | 146.2 | 0 | 0 | 112.7 | T117 S118 L123 | T117-E121 WeakPolarHBondContact CA-OE1 3.29Å; T117-E121 WeakPolarHBondContact CA-OE2 3.15Å; T117-E121 WeakPolarHBondContact CB-OE1 3.36Å; T117-E121 WeakPolarHBondContact CB-OE2 3.39Å; T117-E121 PolarHBondContact OG1-OE1 3.11Å; S118-E121 PolarHBondContact N-OE1 3.39Å; S118-E121 VanDerWaalsContact N-OE1 3.12Å; S118-E121 PolarHBondContact N-OE2 3.1Å; S118-E121 WeakPolarHBondContact O-CB 3.26Å; S118-E121 WeakPolarHBondContact O-CG 3.05Å; S118-E121 PolarHBondContact O-N 2.81Å; E121-L123 PolarHBondContact O-N 2.97Å |
| 122 | N | 62.6 | Low | 63.5 | Low | 104 Ų | 104 | 125 Ų | 125 | 56% | 0.556 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -83.6 | 9.2 | 177.5 | -124 | 19.1 | 0 | 0 | 0 | 112.6 | M120 I125 | M120-N122 PolarHBondContact O-N 3.46Å; N122-I125 WeakPolarHBondContact O-CG1 3.31Å; N122-I125 WeakPolarHBondContact OD1-CG2 3.33Å |
| 123 | L | 66.7 | Low | 63.4 | Low | 131 Ų | 131 | 128.3 Ų | 128.3 | 69% | 0.686 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -83.7 | -3.1 | 172.8 | -59.9 | 177.4 | 0 | 0 | 0 | 112.4 | M120 E121 | M120-L123 HydrophobicContact CB-CD1 4.21Å; M120-L123 HydrophobicContact CG-CD1 4.24Å; M120-L123 WeakPolarHBondContact O-CB 3.3Å; M120-L123 WeakPolarHBondContact O-CG 3.06Å; M120-L123 PolarHBondContact O-N 3.48Å; E121-L123 PolarHBondContact O-N 2.97Å |
| 124 | L | 61.8 | Low | 63.3 | Low | 157 Ų | 157 | 126.2 Ų | 126.2 | 82% | 0.822 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -116 | 12.3 | 179 | -61 | 178.1 | 0 | 0 | 0 | 113.2 | E126 | L124-E126 PolarHBondContact O-N 2.7Š|
| 125 | I | 65.3 | Low | 63.1 | Low | 114 Ų | 114 | 124 Ų | 124 | 59% | 0.585 | 68% | 0.684 | S | S | * | * | | | trans | -70.5 | 89.9 | 164.6 | 46.1 | 160.2 | 0 | 0 | 0 | 108.3 | N122 H127 | N122-I125 WeakPolarHBondContact O-CG1 3.31Å; N122-I125 WeakPolarHBondContact OD1-CG2 3.33Å; I125-H127 PolarHBondContact O-N 3.31Å |
| 126 | E | 63.7 | Low | 62.4 | Low | 176 Ų | 176 | 126.6 Ų | 126.6 | 82% | 0.822 | 69% | 0.688 | S | S | * | * | | | trans | -21.2 | 114.3 | 162.2 | -172.2 | 174 | 179.2 | 0 | 0 | 112.5 | L124 | L124-E126 PolarHBondContact O-N 2.7Š|
| 127 | H | 60.4 | Low | 61.7 | Low | 155 Ų | 155 | 128.3 Ų | 128.3 | 72% | 0.718 | 70% | 0.702 | S | S | * | * | | | trans | -68.5 | 133.2 | 172 | -71.1 | -72.6 | 0 | 0 | 0 | 108.9 | I125 S129 | I125-H127 PolarHBondContact O-N 3.31Å; H127-S129 PolarHBondContact O-N 3.26Å |
| 128 | P | 65.6 | Low | 60.8 | Low | 129 Ų | 129 | 128.5 Ų | 128.5 | 84% | 0.838 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -67.9 | 5.5 | 172.4 | 28 | -34.3 | 0 | 0 | 0 | 113.7 | M130 | P128-M130 VanDerWaalsContact C-N 3.33Å; P128-M130 PolarHBondContact O-N 3.42Å |
| 129 | S | 57.9 | Low | 59.5 | Low | 95 Ų | 95 | 131.7 Ų | 131.7 | 66% | 0.664 | 73% | 0.728 | S | S | * | * | | | trans | -92.3 | 25.7 | -175 | -48.9 | 0 | 0 | 0 | 0 | 113.9 | H127 S131 | H127-S129 PolarHBondContact O-N 3.26Å; S129-S131 PolarHBondContact O-N 3.49Å |
| 130 | M | 60.4 | Low | 58.6 | Low | 169 Ų | 169 | 131 Ų | 131 | 83% | 0.833 | 72% | 0.723 | S | S | * | * | | | trans | -78.1 | 59.2 | 164.9 | -152.3 | 167.7 | 65.1 | 0 | 0 | 109.6 | P128 V132 | P128-M130 VanDerWaalsContact C-N 3.33Å; P128-M130 PolarHBondContact O-N 3.42Å; M130-V132 PolarHBondContact O-N 3.31Å |
| 131 | S | 56.7 | Low | 57.7 | Low | 109 Ų | 109 | 128.5 Ų | 128.5 | 76% | 0.762 | 73% | 0.734 | S | S | * | * | | | trans | -77.8 | 115.1 | 168.6 | 56.2 | 0 | 0 | 0 | 0 | 109 | S129 | S129-S131 PolarHBondContact O-N 3.49Š|
| 132 | V | 58.8 | Low | 56.6 | Low | 103 Ų | 103 | 131.6 Ų | 131.6 | 62% | 0.624 | 75% | 0.752 | S | S | * | * | | | trans | -63 | 146.5 | 173.1 | -172.6 | 0 | 0 | 0 | 0 | 110.5 | M130 | M130-V132 PolarHBondContact O-N 3.31Š|
| 133 | Y | 53.8 | Low | 55.7 | Low | 206 Ų | 206 | 131.1 Ų | 131.1 | 81% | 0.808 | 76% | 0.757 | S | S | * | * | | | trans | 88.2 | 100.2 | 170 | -48.3 | -71.9 | 0 | 0 | 0 | 119 | | |
| 134 | A | 54.8 | Low | 54.5 | Low | 89 Ų | 89 | 134.4 Ų | 134.4 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | | | trans | -132.5 | 90.1 | 133.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 135 | V | 56.4 | Low | 53.4 | Low | 108 Ų | 108 | 131.4 Ų | 131.4 | 66% | 0.655 | 77% | 0.767 | S | S | * | * | | | trans | -58.4 | 126.4 | 159.6 | 158 | 0 | 0 | 0 | 0 | 108.1 | | |
| 136 | H | 49.8 | Very low | 52.2 | Low | 162 Ų | 162 | 132.9 Ų | 132.9 | 75% | 0.75 | 78% | 0.781 | S | S | * | * | | | trans | 57 | 90.1 | 170.9 | -52.1 | -58.8 | 0 | 0 | 0 | 118.4 | S138 | H136-S138 PolarHBondContact O-N 3.14Š|
| 137 | N | 55.1 | Low | 50.9 | Low | 169 Ų | 169 | 130.2 Ų | 130.2 | 90% | 0.904 | 78% | 0.781 | S | S | * | * | | | trans | -73.1 | 81.1 | 152.7 | -75.7 | -25.2 | 0 | 0 | 0 | 109.9 | | |
| 138 | S | 52.6 | Low | 49.7 | Very low | 99 Ų | 99 | 126.3 Ų | 126.3 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | | | trans | -146.9 | 95.6 | 153.9 | 71.1 | 0 | 0 | 0 | 0 | 111.1 | H136 | H136-S138 PolarHBondContact O-N 3.14Š|
| 139 | C | 45.3 | Very low | 48.4 | Very low | 131 Ų | 131 | 125.5 Ų | 125.5 | 89% | 0.885 | 78% | 0.775 | S | S | * | * | | | trans | -161.6 | 147.5 | 138.6 | -125.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 140 | P | 50.4 | Low | 47.6 | Very low | 113 Ų | 113 | 127.9 Ų | 127.9 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | | | trans | -84.7 | 155.4 | -169.6 | 34.9 | -29.7 | 0 | 0 | 0 | 112.2 | L142 | P140-L142 PolarHBondContact O-N 2.91Š|
| 141 | G | 45.3 | Very low | 46.4 | Very low | 87 Ų | 87 | 128 Ų | 128 | 90% | 0.897 | 78% | 0.779 | S | S | * | * | | | trans | -50.7 | 115.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 142 | L | 44.6 | Very low | 45.4 | Very low | 158 Ų | 158 | 128.9 Ų | 128.9 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | | | trans | -88.5 | 119.6 | 162.9 | -168.4 | 75.5 | 0 | 0 | 0 | 108 | P140 | P140-L142 PolarHBondContact O-N 2.91Š|
| 143 | S | 44.9 | Very low | 44.4 | Very low | 94 Ų | 94 | 131.3 Ų | 131.3 | 66% | 0.657 | 78% | 0.779 | S | S | * | * | | | trans | -28.7 | 136.6 | 157.1 | 51.7 | 0 | 0 | 0 | 0 | 115.4 | | |
| 144 | E | 40.5 | Very low | 43.6 | Very low | 199 Ų | 199 | 129 Ų | 129 | 93% | 0.93 | 78% | 0.78 | S | S | * | * | | | trans | -140.7 | 134.2 | 139.1 | -71.8 | -158 | 136.9 | 0 | 0 | 110.1 | | |
| 145 | A | 39.2 | Very low | 43.4 | Very low | 95 Ų | 95 | 130.8 Ų | 130.8 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | | | trans | -80.4 | 147.6 | -167.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | C147 | A145-C147 PolarHBondContact O-N 2.86Š|
| 146 | T | 39.6 | Very low | 42.3 | Very low | 145 Ų | 145 | 131.5 Ų | 131.5 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | | | trans | -46.4 | 115.7 | 161 | -57.7 | 0 | 0 | 0 | 0 | 111 | | |
| 147 | C | 36.4 | Very low | 41.7 | Very low | 119 Ų | 119 | 128.8 Ų | 128.8 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | -107.1 | 94.3 | 165.8 | -167.2 | 0 | 0 | 0 | 0 | 108.2 | A145 | A145-C147 PolarHBondContact O-N 2.86Š|
| 148 | G | 36 | Very low | 41.2 | Very low | 73 Ų | 73 | 125.9 Ų | 125.9 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | | | trans | -114.4 | 110.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 149 | T | 38 | Very low | 40.7 | Very low | 112 Ų | 112 | 132.6 Ų | 132.6 | 69% | 0.687 | 79% | 0.794 | S | S | * | * | | | trans | -99.2 | 149 | 176.6 | -61.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 150 | D | 40.8 | Very low | 40.4 | Very low | 146 Ų | 146 | 132.8 Ų | 132.8 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | | | trans | 83.7 | 106.3 | 172.4 | -66.1 | -27.6 | 0 | 0 | 0 | 118.7 | | |
| 151 | E | 35.4 | Very low | 39.7 | Very low | 170 Ų | 170 | 135.1 Ų | 135.1 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | | | | 179.3 | 133.2 | 97.4 | -99.1 | -163.1 | 115.5 | 0 | 0 | 113.3 | | |
| 152 | L | 36.6 | Very low | 39.7 | Very low | 128 Ų | 128 | 135.8 Ų | 135.8 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | | | trans | 55.1 | 120 | 144.9 | -90 | 69.9 | 0 | 0 | 0 | 124.2 | | |
| 153 | H | 37 | Very low | 39.6 | Very low | 154 Ų | 154 | 136.7 Ų | 136.7 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | | | trans | 51 | 118.9 | 139.1 | -59 | -55.7 | 0 | 0 | 0 | 121.4 | | |
| 154 | N | 36.9 | Very low | 39.6 | Very low | 158 Ų | 158 | 138 Ų | 138 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | | | | 170.8 | 132.5 | 106.6 | -91.2 | -68.8 | 0 | 0 | 0 | 111.3 | | |
| 155 | P | 50.5 | Low | 39.8 | Very low | 126 Ų | 126 | 137.2 Ų | 137.2 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | trans | -98.1 | 116.6 | 174.4 | 34.2 | -25.3 | 0 | 0 | 0 | 111.2 | | |
| 156 | S | 34.2 | Very low | 40.4 | Very low | 123 Ų | 123 | 140.7 Ų | 140.7 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | | | trans | -140.2 | 108.8 | 161.3 | -172.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 157 | S | 36.1 | Very low | 40.4 | Very low | 105 Ų | 105 | 137 Ų | 137 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | | | trans | -58.2 | 179.1 | 163.2 | -158.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 158 | P | 45.4 | Very low | 41.1 | Very low | 108 Ų | 108 | 139.7 Ų | 139.7 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | | | cis | -131.1 | 150.2 | -10.3 | 15.4 | 10.1 | 0 | 0 | 0 | 115.8 | | |
| 159 | R | 41.5 | Very low | 41.7 | Very low | 241 Ų | 241 | 143.6 Ų | 143.6 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | | | trans | 23 | 115.8 | 133.1 | -166.2 | -171.6 | -133.5 | -144.9 | 4 | 119.9 | | |
| 160 | V | 39.5 | Very low | 42.3 | Very low | 134 Ų | 134 | 146.2 Ų | 146.2 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | | | | -166.8 | 121.5 | 127.6 | -177.8 | 0 | 0 | 0 | 0 | 103.8 | | |
| 161 | E | 35.2 | Very low | 42.7 | Very low | 163 Ų | 163 | 146.3 Ų | 146.3 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | | | | -178.8 | 126.7 | 89.5 | -167.5 | 154.4 | -158.6 | 0 | 0 | 108.1 | | |
| 162 | A | 45.5 | Very low | 43.4 | Very low | 101 Ų | 101 | 143.5 Ų | 143.5 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | | | trans | -94.2 | 116.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 163 | Q | 41.7 | Very low | 44.4 | Very low | 177 Ų | 177 | 147.5 Ų | 147.5 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | | | trans | -130.8 | 133 | 153.5 | -74.1 | -154.3 | -16.5 | 0 | 0 | 110.4 | | |
| 164 | N | 46.6 | Very low | 45 | Very low | 121 Ų | 121 | 147 Ų | 147 | 65% | 0.647 | 79% | 0.793 | S | S | * | * | | | trans | -100.4 | 117.9 | -166.5 | 160 | 0 | 0 | 0 | 0 | 107 | M166 | N164-M166 PolarHBondContact OD1-SD 3.19Š|
| 165 | E | 43.6 | Very low | 45.9 | Very low | 183 Ų | 183 | 143.3 Ų | 143.3 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | | | trans | -149 | 117.6 | 156.1 | -64.2 | -163.8 | 177.8 | 0 | 0 | 110.6 | G167 | E165-G167 PolarHBondContact O-N 3.13Š|
| 166 | M | 51.8 | Low | 46.1 | Very low | 168 Ų | 168 | 140.5 Ų | 140.5 | 83% | 0.828 | 77% | 0.772 | S | S | * | * | | | trans | -62.9 | 101.1 | 169.7 | -72.3 | 79.5 | -162.4 | 0 | 0 | 109.9 | N164 | N164-M166 PolarHBondContact OD1-SD 3.19Š|
| 167 | G | 40.7 | Very low | 46.9 | Very low | 66 Ų | 66 | 143.2 Ų | 143.2 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | | | trans | -106.4 | 80.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | E165 | E165-G167 PolarHBondContact O-N 3.13Š|
| 168 | Q | 50.7 | Low | 47.7 | Very low | 176 Ų | 176 | 142.6 Ų | 142.6 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | | | | 62.8 | 93.1 | 128.2 | -58.5 | 172.2 | 12.6 | 0 | 0 | 119.1 | | |
| 169 | H | 48.1 | Very low | 48 | Very low | 155 Ų | 155 | 140.9 Ų | 140.9 | 72% | 0.718 | 77% | 0.771 | S | S | * | * | | | | 23.3 | 101 | 127.3 | -160.3 | -92.9 | 0 | 0 | 0 | 116.3 | H171 | H169-H171 AromaticContact ND1-NE2 3.94Å; H169-H171 PolarHBondContact O-CD2 3.41Å; H169-H171 VanDerWaalsContact O-CD2 3.28Å; H169-H171 PolarHBondContact O-N 3.28Å |
| 170 | I | 50 | Low | 48.4 | Very low | 168 Ų | 168 | 137.6 Ų | 137.6 | 86% | 0.862 | 77% | 0.766 | S | S | * | * | | | trans | -59.2 | 103.3 | 175.2 | -62.1 | 165.6 | 0 | 0 | 0 | 109.2 | C172 | I170-C172 PolarHBondContact O-N 3.25Š|
| 171 | H | 50.1 | Low | 48.9 | Very low | 148 Ų | 148 | 137.4 Ų | 137.4 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | | | trans | -76.4 | 114.6 | 174.7 | -87.8 | -91.5 | 0 | 0 | 0 | 110.2 | H169 Y173 | H169-H171 AromaticContact ND1-NE2 3.94Å; H169-H171 PolarHBondContact O-CD2 3.41Å; H169-H171 VanDerWaalsContact O-CD2 3.28Å; H169-H171 PolarHBondContact O-N 3.28Å; H171-Y173 PolarHBondContact O-N 3.38Å |
| 172 | C | 49.6 | Very low | 49.7 | Very low | 110 Ų | 110 | 136 Ų | 136 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | | | trans | -57.2 | 108.7 | 166.6 | -86.2 | 0 | 0 | 0 | 0 | 110.4 | I170 V174 | I170-C172 PolarHBondContact O-N 3.25Å; C172-V174 PolarHBondContact O-N 2.81Å |
| 173 | Y | 56.9 | Low | 50.1 | Low | 212 Ų | 212 | 140.5 Ų | 140.5 | 83% | 0.831 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | 9.5 | -174.4 | -142.2 | -95.9 | 0 | 0 | 0 | 115.1 | H171 | H171-Y173 PolarHBondContact O-N 3.38Š|
| 174 | V | 51.1 | Low | 50.7 | Low | 145 Ų | 145 | 138.2 Ų | 138.2 | 88% | 0.879 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | -10.8 | -177.1 | -173.7 | 0 | 0 | 0 | 0 | 112.5 | C172 | C172-V174 PolarHBondContact O-N 2.81Š|
| 175 | A | 54.7 | Low | 50.4 | Low | 79 Ų | 79 | 139.5 Ų | 139.5 | 65% | 0.653 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -102.8 | 3.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 176 | A | 54.7 | Low | 50.9 | Low | 68 Ų | 68 | 139.4 Ų | 139.4 | 56% | 0.562 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -6.1 | -173 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 177 | L | 51.9 | Low | 50.7 | Low | 180 Ų | 180 | 136.1 Ų | 136.1 | 94% | 0.942 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | 4.3 | 178.4 | -67.2 | 177.5 | 0 | 0 | 0 | 114.2 | | |
| 178 | A | 53.3 | Low | 51.3 | Low | 91 Ų | 91 | 142.2 Ų | 142.2 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -95.6 | -2.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 179 | A | 51 | Low | 51.6 | Low | 72 Ų | 72 | 139 Ų | 139 | 60% | 0.595 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -108 | 8.3 | -167.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 180 | H | 50.3 | Low | 51.6 | Low | 172 Ų | 172 | 140.3 Ų | 140.3 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | | | trans | -125.3 | 43.8 | -177.1 | -69.8 | -61 | 0 | 0 | 0 | 115.2 | | |
| 181 | T | 48.9 | Very low | 51.9 | Low | 131 Ų | 131 | 142.3 Ų | 142.3 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | | | trans | -132.6 | 62.9 | 166.4 | 69.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 182 | T | 51.9 | Low | 52.1 | Low | 134 Ų | 134 | 139.8 Ų | 139.8 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | | | trans | -135 | 67.7 | 162.2 | 59.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 183 | F | 54.4 | Low | 52.4 | Low | 195 Ų | 195 | 137.3 Ų | 137.3 | 86% | 0.855 | 74% | 0.741 | S | S | * | * | | | trans | -163.9 | 139.4 | 148.9 | -152.6 | -118.3 | 0 | 0 | 0 | 110.6 | | |
| 184 | L | 54.1 | Low | 52.3 | Low | 129 Ų | 129 | 135.5 Ų | 135.5 | 68% | 0.675 | 74% | 0.74 | S | S | * | * | | | trans | 88.9 | 94.5 | 166.1 | -130.7 | 63.7 | 0 | 0 | 0 | 117.3 | | |
| 185 | E | 41.5 | Very low | 52.2 | Low | 147 Ų | 147 | 137 Ų | 137 | 69% | 0.687 | 73% | 0.73 | S | S | * | * | | | | 89.1 | 105.1 | 120.7 | -162.2 | 172.2 | 173.6 | 0 | 0 | 117.3 | P187 | E185-P187 WeakPolarHBondContact O-CD 3.37Š|
| 186 | Q | 53.7 | Low | 52.3 | Low | 181 Ų | 181 | 138.4 Ų | 138.4 | 85% | 0.846 | 73% | 0.725 | S | S | * | * | | | trans | -57.5 | 123.6 | 148.9 | -72.5 | -76.6 | -32.7 | 0 | 0 | 108.6 | | |
| 187 | P | 47 | Very low | 52.5 | Low | 99 Ų | 99 | 143 Ų | 143 | 64% | 0.643 | 73% | 0.733 | S | S | * | * | | | | -137.5 | 131.6 | 114.8 | 26.3 | -8.8 | 0 | 0 | 0 | 112.3 | E185 S189 | E185-P187 WeakPolarHBondContact O-CD 3.37Å; P187-S189 PolarHBondContact O-N 2.61Å |
| 188 | K | 52.9 | Low | 52.8 | Low | 194 Ų | 194 | 139.6 Ų | 139.6 | 84% | 0.843 | 71% | 0.712 | S | S | * | * | | | trans | 4.7 | 114.1 | 141.2 | -71.7 | 156.6 | 173.4 | 162.8 | 0 | 115.2 | | |
| 189 | S | 57 | Low | 52.7 | Low | 108 Ų | 108 | 137.9 Ų | 137.9 | 76% | 0.755 | 69% | 0.688 | S | S | * | * | | | | 151.2 | 136.3 | 126.7 | 60.7 | 0 | 0 | 0 | 0 | 112.6 | P187 | P187-S189 PolarHBondContact O-N 2.61Š|
| 190 | F | 49.7 | Very low | 53 | Low | 184 Ų | 184 | 137.4 Ų | 137.4 | 81% | 0.807 | 68% | 0.68 | S | S | * | * | | | trans | 51.8 | 114.9 | 155 | -85.3 | -103.7 | 0 | 0 | 0 | 117.7 | | |
| 191 | R | 55.4 | Low | 53.5 | Low | 210 Ų | 210 | 135.6 Ų | 135.6 | 79% | 0.792 | 67% | 0.672 | S | S | * | * | | | | -154.4 | 114.1 | 71.9 | -67.8 | -134.9 | -172.3 | -148.6 | 7.1 | 114.7 | S193 | R191-S193 VanDerWaalsContact C-N 3.28Å; R191-S193 PolarHBondContact O-N 2.84Å |
| 192 | P | 55 | Low | 54 | Low | 94 Ų | 94 | 137.5 Ų | 137.5 | 61% | 0.61 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | 75.5 | 150.1 | 12.4 | 5.7 | 0 | 0 | 0 | 108.1 | | |
| 193 | S | 55.3 | Low | 54.3 | Low | 59 Ų | 59 | 137.4 Ų | 137.4 | 41% | 0.413 | 66% | 0.655 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -131.2 | -12.5 | 175.7 | -42.5 | 0 | 0 | 0 | 0 | 113.4 | R191 | R191-S193 VanDerWaalsContact C-N 3.28Å; R191-S193 PolarHBondContact O-N 2.84Å |
| 194 | Q | 53.8 | Low | 54.6 | Low | 173 Ų | 173 | 130.4 Ų | 130.4 | 81% | 0.808 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -90.4 | -39.3 | -178.9 | -161.9 | 169.1 | 1.2 | 0 | 0 | 112 | I196 K197 | Q194-I196 VanDerWaalsContact C-N 3.33Å; Q194-I196 PolarHBondContact O-N 3.44Å; Q194-K197 PolarHBondContact O-N 3.04Å |
| 195 | W | 50.5 | Low | 55.2 | Low | 178 Ų | 178 | 131.1 Ų | 131.1 | 67% | 0.674 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -56.8 | -41.4 | 172.8 | 161 | -82 | 0 | 0 | 0 | 112.7 | K197 E198 H199 | W195-K197 VanDerWaalsContact C-N 3.29Å; W195-K197 PolarHBondContact O-N 2.97Å; W195-E198 PolarHBondContact O-N 2.79Å; W195-H199 AromaticContact CD1-CD2 3.83Å; W195-H199 AromaticContact CD2-CD2 3.22Å; W195-H199 AromaticContact CD2-NE2 3.22Å; W195-H199 AromaticContact CE2-CD2 3.15Å; W195-H199 AromaticContact CE2-NE2 3.3Å; W195-H199 VanDerWaalsContact CE2-NE2 3.3Å; W195-H199 AromaticContact CE3-CD2 3.65Å; W195-H199 AromaticContact CE3-NE2 3.08Å; W195-H199 AromaticContact CG-CD2 3.67Å; W195-H199 AromaticContact CH2-CD2 3.91Å; W195-H199 AromaticContact CH2-CE1 3.71Å; W195-H199 AromaticContact CH2-NE2 3.15Å; W195-H199 WeakPolarHBondContact CH2-NE2 3.22Å; W195-H199 AromaticContact CZ2-CD2 3.53Å; W195-H199 AromaticContact CZ2-CE1 3.96Å; W195-H199 AromaticContact CZ2-NE2 3.29Å; W195-H199 VanDerWaalsContact CZ2-NE2 3.29Å; W195-H199 WeakPolarHBondContact CZ2-NE2 3.32Å; W195-H199 AromaticContact CZ3-CD2 3.97Å; W195-H199 AromaticContact CZ3-CE1 3.87Å; W195-H199 AromaticContact CZ3-NE2 3.05Å; W195-H199 WeakPolarHBondContact CZ3-NE2 3.02Å; W195-H199 AromaticContact NE1-CD2 3.53Å; W195-H199 PolarHBondContact O-CD2 3.02Å; W195-H199 PolarHBondContact O-N 3.34Å |
| 196 | I | 56.7 | Low | 57.1 | Low | 107 Ų | 107 | 128 Ų | 128 | 55% | 0.549 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -65.9 | -32.6 | -173.6 | -61.4 | 173.6 | 0 | 0 | 0 | 111.8 | Q194 S200 | Q194-I196 VanDerWaalsContact C-N 3.33Å; Q194-I196 PolarHBondContact O-N 3.44Å; I196-S200 WeakPolarHBondContact O-CB 3.36Å; I196-S200 PolarHBondContact O-N 2.81Å; I196-S200 VanDerWaalsContact O-N 3.13Å |
| 197 | K | 59.1 | Low | 58.5 | Low | 164 Ų | 164 | 129.1 Ų | 129.1 | 71% | 0.713 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -74.6 | -42.6 | -178.4 | -160.7 | -175.5 | 175.8 | -162.7 | 0 | 111.6 | Q194 W195 H199 S200 E201 | Q194-K197 PolarHBondContact O-N 3.04Å; W195-K197 VanDerWaalsContact C-N 3.29Å; W195-K197 PolarHBondContact O-N 2.97Å; K197-H199 PolarHBondContact O-N 3Å; K197-S200 PolarHBondContact O-N 3.19Å; K197-S200 PolarHBondContact O-OG 3.24Å; K197-E201 PolarHBondContact O-N 3.22Å |
| 198 | E | 56.8 | Low | 60.4 | Low | 110 Ų | 110 | 128.5 Ų | 128.5 | 51% | 0.514 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -64.7 | -39.8 | 178.1 | -170.9 | -179.4 | 166.5 | 0 | 0 | 112.1 | W195 R202 | W195-E198 PolarHBondContact O-N 2.79Å; E198-R202 PolarHBondContact O-N 3.26Å |
| 199 | H | 52.8 | Low | 62 | Low | 55 Ų | 55 | 119.8 Ų | 119.8 | 26% | 0.255 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -73 | -27.8 | 176.1 | -70.7 | -64.3 | 0 | 0 | 0 | 113.7 | W195 K197 E201 Q203 | W195-H199 AromaticContact CD1-CD2 3.83Å; W195-H199 AromaticContact CD2-CD2 3.22Å; W195-H199 AromaticContact CD2-NE2 3.22Å; W195-H199 AromaticContact CE2-CD2 3.15Å; W195-H199 AromaticContact CE2-NE2 3.3Å; W195-H199 VanDerWaalsContact CE2-NE2 3.3Å; W195-H199 AromaticContact CE3-CD2 3.65Å; W195-H199 AromaticContact CE3-NE2 3.08Å; W195-H199 AromaticContact CG-CD2 3.67Å; W195-H199 AromaticContact CH2-CD2 3.91Å; W195-H199 AromaticContact CH2-CE1 3.71Å; W195-H199 AromaticContact CH2-NE2 3.15Å; W195-H199 WeakPolarHBondContact CH2-NE2 3.22Å; W195-H199 AromaticContact CZ2-CD2 3.53Å; W195-H199 AromaticContact CZ2-CE1 3.96Å; W195-H199 AromaticContact CZ2-NE2 3.29Å; W195-H199 VanDerWaalsContact CZ2-NE2 3.29Å; W195-H199 WeakPolarHBondContact CZ2-NE2 3.32Å; W195-H199 AromaticContact CZ3-CD2 3.97Å; W195-H199 AromaticContact CZ3-CE1 3.87Å; W195-H199 AromaticContact CZ3-NE2 3.05Å; W195-H199 WeakPolarHBondContact CZ3-NE2 3.02Å; W195-H199 AromaticContact NE1-CD2 3.53Å; W195-H199 PolarHBondContact O-CD2 3.02Å; W195-H199 PolarHBondContact O-N 3.34Å; K197-H199 PolarHBondContact O-N 3Å; H199-E201 VanDerWaalsContact C-N 3.34Å; H199-Q203 VanDerWaalsContact O-CB 3.28Å; H199-Q203 WeakPolarHBondContact O-CB 3.16Å; H199-Q203 WeakPolarHBondContact O-CG 3.35Å; H199-Q203 PolarHBondContact O-N 2.86Å |
| 200 | S | 57 | Low | 63.3 | Low | 61 Ų | 61 | 119 Ų | 119 | 43% | 0.427 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.6 | -34.8 | 175.8 | 72.9 | 0 | 0 | 0 | 0 | 112.7 | I196 K197 Q203 S204 | I196-S200 WeakPolarHBondContact O-CB 3.36Å; I196-S200 PolarHBondContact O-N 2.81Å; I196-S200 VanDerWaalsContact O-N 3.13Å; K197-S200 PolarHBondContact O-N 3.19Å; K197-S200 PolarHBondContact O-OG 3.24Å; S200-Q203 PolarHBondContact O-N 3.26Å; S200-S204 PolarHBondContact O-N 2.85Å; S200-S204 VanDerWaalsContact O-N 3.1Å |
| 201 | E | 60.2 | Low | 65 | Low | 134 Ų | 134 | 118.8 Ų | 118.8 | 63% | 0.626 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -73 | -39.2 | 176.8 | -172.5 | -176.7 | 165.3 | 0 | 0 | 111.7 | K197 H199 Q203 S204 | K197-E201 PolarHBondContact O-N 3.22Å; H199-E201 VanDerWaalsContact C-N 3.34Å; E201-Q203 VanDerWaalsContact C-N 3.31Å; E201-Q203 PolarHBondContact O-N 2.79Å; E201-S204 PolarHBondContact O-N 2.98Å; E201-S204 PolarHBondContact O-OG 3.42Å |
| 202 | R | 60.2 | Low | 66.4 | Low | 172 Ų | 172 | 116 Ų | 116 | 65% | 0.649 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -69.1 | -30.6 | 173.5 | -69.7 | 179.5 | 167.1 | -134.2 | -0.2 | 112.7 | E198 | E198-R202 PolarHBondContact O-N 3.26Å |
| 203 | Q | 58.3 | Low | 67.8 | Low | 131 Ų | 131 | 116.1 Ų | 116.1 | 61% | 0.612 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -77.3 | -23.4 | 177 | -76.5 | 176.5 | -1.8 | 0 | 0 | 113.2 | H199 S200 E201 L205 S209 | H199-Q203 VanDerWaalsContact O-CB 3.28Å; H199-Q203 WeakPolarHBondContact O-CB 3.16Å; H199-Q203 WeakPolarHBondContact O-CG 3.35Å; H199-Q203 PolarHBondContact O-N 2.86Å; S200-Q203 PolarHBondContact O-N 3.26Å; E201-Q203 VanDerWaalsContact C-N 3.31Å; E201-Q203 PolarHBondContact O-N 2.79Å; Q203-L205 VanDerWaalsContact C-N 3.32Å; Q203-S209 WeakPolarHBondContact O-CB 3.28Å; Q203-S209 PolarHBondContact O-OG 3.09Å |
| 204 | S | 59.8 | Low | 69.1 | Low | 48 Ų | 48 | 116 Ų | 116 | 34% | 0.336 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -72.1 | -27.5 | 174.9 | 68.9 | 0 | 0 | 0 | 0 | 112.3 | S200 E201 | S200-S204 PolarHBondContact O-N 2.85Å; S200-S204 VanDerWaalsContact O-N 3.1Å; E201-S204 PolarHBondContact O-N 2.98Å; E201-S204 PolarHBondContact O-OG 3.42Å |
| 205 | L | 65.7 | Low | 70.4 | Confident | 145 Ų | 145 | 112.9 Ų | 112.9 | 76% | 0.759 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | 3.1 | 177.4 | -57.9 | 178.9 | 0 | 0 | 0 | 114.4 | Q203 | Q203-L205 VanDerWaalsContact C-N 3.32Š|
| 206 | N | 81.8 | Confident | 71.6 | Confident | 80 Ų | 80 | 108 Ų | 108 | 43% | 0.428 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -72 | 136.7 | 177.9 | -177.8 | -67 | 0 | 0 | 0 | 111 | N208 S209 L210 | N206-N208 PolarHBondContact O-N 2.93Å; N206-N208 VanDerWaalsContact O-N 3.11Å; N206-N208 WeakPolarHBondContact OD1-CB 3.4Å; N206-N208 PolarHBondContact OD1-N 3.41Å; N206-S209 VanDerWaalsContact O-CA 3.32Å; N206-S209 WeakPolarHBondContact O-CA 3.44Å; N206-S209 VanDerWaalsContact O-CB 3.22Å; N206-S209 WeakPolarHBondContact O-CB 3.46Å; N206-S209 PolarHBondContact O-N 3.09Å; N206-L210 PolarHBondContact O-N 3.3Å |
| 207 | R | 83 | Confident | 72.3 | Confident | 205 Ų | 205 | 110.6 Ų | 110.6 | 77% | 0.774 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -46.4 | -43.7 | 178.1 | -174.5 | 178.9 | 73.5 | -157.9 | 5.2 | 113.2 | R211 | R207-R211 WeakPolarHBondContact O-CB 3.41Å; R207-R211 PolarHBondContact O-N 2.85Å |
| 208 | N | 88.2 | Confident | 72.5 | Confident | 87 Ų | 87 | 105.5 Ų | 105.5 | 47% | 0.465 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -71.1 | -32.9 | 179.2 | -63.7 | -24.5 | 0 | 0 | 0 | 111.7 | N206 R212 | N206-N208 PolarHBondContact O-N 2.93Å; N206-N208 VanDerWaalsContact O-N 3.11Å; N206-N208 WeakPolarHBondContact OD1-CB 3.4Å; N206-N208 PolarHBondContact OD1-N 3.41Å; N208-R212 WeakPolarHBondContact O-CG 3.34Å; N208-R212 PolarHBondContact O-N 3.09Å; N208-R212 VanDerWaalsContact O-N 3.09Å; N208-R212 PolarHBondContact O-NH1 2.98Å |
| 209 | S | 85 | Confident | 72.6 | Confident | 11 Ų | 11 | 103.3 Ų | 103.3 | 8% | 0.077 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -66.5 | -46.7 | 173.9 | -150.3 | 0 | 0 | 0 | 0 | 112.3 | Q203 N206 R211 R212 Q213 | Q203-S209 WeakPolarHBondContact O-CB 3.28Å; Q203-S209 PolarHBondContact O-OG 3.09Å; N206-S209 VanDerWaalsContact O-CA 3.32Å; N206-S209 WeakPolarHBondContact O-CA 3.44Å; N206-S209 VanDerWaalsContact O-CB 3.22Å; N206-S209 WeakPolarHBondContact O-CB 3.46Å; N206-S209 PolarHBondContact O-N 3.09Å; S209-R211 VanDerWaalsContact C-N 3.35Å; S209-R211 PolarHBondContact O-N 2.98Å; S209-R212 VanDerWaalsContact CA-NH1 3.29Å; S209-R212 PolarHBondContact O-N 3.48Å; S209-R212 PolarHBondContact OG-NH2 3.28Å; S209-R212 VanDerWaalsContact OG-NH2 3.08Å; S209-Q213 WeakPolarHBondContact O-CG 3.33Å; S209-Q213 PolarHBondContact O-N 3.08Å |
| 210 | L | 85.5 | Confident | 73 | Confident | 92 Ų | 92 | 107.6 Ų | 107.6 | 48% | 0.482 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.2 | -39.7 | 176.2 | -171 | 64.1 | 0 | 0 | 0 | 111.7 | N206 Q213 N214 | N206-L210 PolarHBondContact O-N 3.3Å; L210-Q213 PolarHBondContact O-N 3.46Å; L210-N214 WeakPolarHBondContact O-CB 3.07Å; L210-N214 PolarHBondContact O-N 3.33Å; L210-N214 PolarHBondContact O-ND2 3.31Å |
| 211 | R | 84.3 | Confident | 73.1 | Confident | 179 Ų | 179 | 109.2 Ų | 109.2 | 68% | 0.675 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.6 | -45.4 | 174.9 | -171.8 | 177.9 | -179.4 | -176 | 1.7 | 111.9 | R207 S209 N214 L215 | R207-R211 WeakPolarHBondContact O-CB 3.41Å; R207-R211 PolarHBondContact O-N 2.85Å; S209-R211 VanDerWaalsContact C-N 3.35Å; S209-R211 PolarHBondContact O-N 2.98Å; R211-N214 PolarHBondContact O-N 3.03Å; R211-L215 PolarHBondContact O-N 3.3Å |
| 212 | R | 85.9 | Confident | 73 | Confident | 150 Ų | 150 | 111.4 Ų | 111.4 | 57% | 0.566 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.7 | -41.5 | 175.6 | -69.8 | -172.8 | -26.7 | -84.8 | -12.3 | 111.9 | N208 S209 L215 T216 | N208-R212 WeakPolarHBondContact O-CG 3.34Å; N208-R212 PolarHBondContact O-N 3.09Å; N208-R212 VanDerWaalsContact O-N 3.09Å; N208-R212 PolarHBondContact O-NH1 2.98Å; S209-R212 VanDerWaalsContact CA-NH1 3.29Å; S209-R212 PolarHBondContact O-N 3.48Å; S209-R212 PolarHBondContact OG-NH2 3.28Å; S209-R212 VanDerWaalsContact OG-NH2 3.08Å; R212-L215 PolarHBondContact O-N 3.46Å; R212-T216 WeakPolarHBondContact O-CG2 3.37Å; R212-T216 PolarHBondContact O-N 3Å; R212-T216 VanDerWaalsContact O-N 3.1Å; R212-T216 PolarHBondContact O-OG1 3.45Å |
| 213 | Q | 84.3 | Confident | 72.9 | Confident | 98 Ų | 98 | 111.3 Ų | 111.3 | 46% | 0.458 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.5 | -38.8 | 177.3 | -74.1 | 179.7 | -12.6 | 0 | 0 | 112.9 | S209 L210 T216 R217 | S209-Q213 WeakPolarHBondContact O-CG 3.33Å; S209-Q213 PolarHBondContact O-N 3.08Å; L210-Q213 PolarHBondContact O-N 3.46Å; Q213-T216 PolarHBondContact O-OG1 3.1Å; Q213-R217 WeakPolarHBondContact O-CB 3.49Å; Q213-R217 PolarHBondContact O-N 2.98Å |
| 214 | N | 82.3 | Confident | 73 | Confident | 57 Ų | 57 | 110.4 Ų | 110.4 | 31% | 0.305 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68 | -41.4 | 175.3 | -81.4 | -42.1 | 0 | 0 | 0 | 111.8 | L210 R211 T216 R217 D218 | L210-N214 WeakPolarHBondContact O-CB 3.07Å; L210-N214 PolarHBondContact O-N 3.33Å; L210-N214 PolarHBondContact O-ND2 3.31Å; R211-N214 PolarHBondContact O-N 3.03Å; N214-T216 PolarHBondContact O-N 2.99Å; N214-R217 PolarHBondContact O-N 3.22Å; N214-R217 PolarHBondContact OD1-NH2 3.48Å; N214-R217 VanDerWaalsContact OD1-NH2 3.09Å; N214-D218 WeakPolarHBondContact O-CB 3.38Å; N214-D218 PolarHBondContact O-N 3.35Å |
| 215 | L | 81.4 | Confident | 73 | Confident | 106 Ų | 106 | 117.1 Ų | 117.1 | 56% | 0.555 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -56.3 | -51.8 | 174.4 | -116.1 | 77.3 | 0 | 0 | 0 | 110.7 | R211 R212 R217 D218 C219 | R211-L215 PolarHBondContact O-N 3.3Å; R212-L215 PolarHBondContact O-N 3.46Å; L215-R217 PolarHBondContact O-N 2.94Å; L215-D218 PolarHBondContact O-N 3.1Å; L215-C219 PolarHBondContact O-N 3.41Å; L215-C219 PolarHBondContact O-SG 3.31Å |
| 216 | T | 74.8 | Confident | 72.5 | Confident | 77 Ų | 77 | 117.9 Ų | 117.9 | 47% | 0.472 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.5 | -41.8 | -179.7 | 56 | 0 | 0 | 0 | 0 | 111.6 | R212 Q213 N214 D218 C219 H220 | R212-T216 WeakPolarHBondContact O-CG2 3.37Å; R212-T216 PolarHBondContact O-N 3Å; R212-T216 VanDerWaalsContact O-N 3.1Å; R212-T216 PolarHBondContact O-OG1 3.45Å; Q213-T216 PolarHBondContact O-OG1 3.1Å; N214-T216 PolarHBondContact O-N 2.99Å; T216-D218 VanDerWaalsContact C-N 3.25Å; T216-D218 PolarHBondContact O-N 3.35Å; T216-C219 WeakPolarHBondContact O-CB 3.44Å; T216-C219 PolarHBondContact O-N 3.27Å; T216-C219 VanDerWaalsContact O-N 3.15Å; T216-H220 PolarHBondContact O-CE1 3.47Å; T216-H220 VanDerWaalsContact O-CE1 3.28Å; T216-H220 PolarHBondContact O-N 3.07Å; T216-H220 PolarHBondContact O-ND1 3.36Å |
| 217 | R | 71.8 | Confident | 71.4 | Confident | 160 Ų | 160 | 122.1 Ų | 122.1 | 60% | 0.604 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -56 | -41.5 | 175.8 | -173.3 | 168.4 | 64.8 | 96.5 | 0.8 | 112.1 | Q213 N214 L215 | Q213-R217 WeakPolarHBondContact O-CB 3.49Å; Q213-R217 PolarHBondContact O-N 2.98Å; N214-R217 PolarHBondContact O-N 3.22Å; N214-R217 PolarHBondContact OD1-NH2 3.48Å; N214-R217 VanDerWaalsContact OD1-NH2 3.09Å; L215-R217 PolarHBondContact O-N 2.94Å |
| 218 | D | 63 | Low | 70 | Confident | 57 Ų | 57 | 114.2 Ų | 114.2 | 31% | 0.305 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -75.2 | -28 | 179.2 | -75.1 | -9.1 | 0 | 0 | 0 | 113.9 | N214 L215 T216 H220 S221 R222 | N214-D218 WeakPolarHBondContact O-CB 3.38Å; N214-D218 PolarHBondContact O-N 3.35Å; L215-D218 PolarHBondContact O-N 3.1Å; T216-D218 VanDerWaalsContact C-N 3.25Å; T216-D218 PolarHBondContact O-N 3.35Å; D218-H220 VanDerWaalsContact C-N 3.31Å; D218-H220 PolarHBondContact O-N 3.34Å; D218-S221 PolarHBondContact O-N 3.42Å; D218-R222 PolarHBondContact O-N 3.15Å; D218-R222 VanDerWaalsContact O-N 3.07Å; D218-R222 IonicContact OD2-NH2 3.44Å; D218-R222 PolarHBondContact OD2-NH2 2.65Å |
| 219 | C | 60.3 | Low | 68.7 | Low | 64 Ų | 64 | 122.2 Ų | 122.2 | 43% | 0.432 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -60.2 | -42.1 | 174.2 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | L215 T216 S221 R222 Q223 | L215-C219 PolarHBondContact O-N 3.41Å; L215-C219 PolarHBondContact O-SG 3.31Å; T216-C219 WeakPolarHBondContact O-CB 3.44Å; T216-C219 PolarHBondContact O-N 3.27Å; T216-C219 VanDerWaalsContact O-N 3.15Å; C219-S221 VanDerWaalsContact C-N 3.26Å; C219-S221 PolarHBondContact O-N 2.98Å; C219-R222 PolarHBondContact O-N 3.28Å; C219-Q223 WeakPolarHBondContact O-CB 3.11Å; C219-Q223 WeakPolarHBondContact O-CG 3.46Å; C219-Q223 PolarHBondContact O-N 3.31Å |
| 220 | H | 59.9 | Low | 67.5 | Low | 146 Ų | 146 | 127.4 Ų | 127.4 | 68% | 0.676 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -66.7 | -29.4 | -177.8 | -61 | 91.9 | 0 | 0 | 0 | 112 | T216 D218 | T216-H220 PolarHBondContact O-CE1 3.47Å; T216-H220 VanDerWaalsContact O-CE1 3.28Å; T216-H220 PolarHBondContact O-N 3.07Å; T216-H220 PolarHBondContact O-ND1 3.36Å; D218-H220 VanDerWaalsContact C-N 3.31Å; D218-H220 PolarHBondContact O-N 3.34Å |
| 221 | S | 59.5 | Low | 66.4 | Low | 94 Ų | 94 | 129 Ų | 129 | 66% | 0.657 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -80.2 | -33.8 | 175.1 | -174.6 | 0 | 0 | 0 | 0 | 112.8 | D218 C219 | D218-S221 PolarHBondContact O-N 3.42Å; C219-S221 VanDerWaalsContact C-N 3.26Å; C219-S221 PolarHBondContact O-N 2.98Å |
| 222 | R | 58.6 | Low | 65.5 | Low | 181 Ų | 181 | 128.3 Ų | 128.3 | 68% | 0.683 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -86.3 | -13.6 | -177 | -78.2 | -172.7 | -101.7 | -90.7 | 7.9 | 114.5 | D218 C219 V224 | D218-R222 PolarHBondContact O-N 3.15Å; D218-R222 VanDerWaalsContact O-N 3.07Å; D218-R222 IonicContact OD2-NH2 3.44Å; D218-R222 PolarHBondContact OD2-NH2 2.65Å; C219-R222 PolarHBondContact O-N 3.28Å; R222-V224 PolarHBondContact O-N 3.04Å |
| 223 | Q | 57.3 | Low | 64.8 | Low | 170 Ų | 170 | 129 Ų | 129 | 79% | 0.794 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -4.2 | 176.9 | -74.7 | -107.1 | -43.2 | 0 | 0 | 113.8 | C219 K225 | C219-Q223 WeakPolarHBondContact O-CB 3.11Å; C219-Q223 WeakPolarHBondContact O-CG 3.46Å; C219-Q223 PolarHBondContact O-N 3.31Å; Q223-K225 PolarHBondContact O-N 3.19Å |
| 224 | V | 60.1 | Low | 64 | Low | 111 Ų | 111 | 129.5 Ų | 129.5 | 67% | 0.673 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -87 | 101.7 | 170.9 | -179.9 | 0 | 0 | 0 | 0 | 109.1 | R222 | R222-V224 PolarHBondContact O-N 3.04Š|
| 225 | K | 60.4 | Low | 63.3 | Low | 189 Ų | 189 | 132.2 Ų | 132.2 | 82% | 0.822 | 68% | 0.675 | S | S | * | * | S | Bend | trans | 68 | 96.9 | 167.5 | -65.9 | 175.9 | 168.6 | -178.7 | 0 | 116.5 | Q223 | Q223-K225 PolarHBondContact O-N 3.19Š|
| 226 | H | 55.8 | Low | 62.6 | Low | 161 Ų | 161 | 133 Ų | 133 | 75% | 0.745 | 69% | 0.686 | S | S | * | * | | | | -162.6 | 87.4 | 110.7 | -150 | -99.2 | 0 | 0 | 0 | 110.4 | G228 | H226-G228 PolarHBondContact CE1-O 3.1Å; H226-G228 PolarHBondContact ND1-O 2.89Å; H226-G228 VanDerWaalsContact ND1-O 3.1Å |
| 227 | N | 58.1 | Low | 62.3 | Low | 170 Ų | 170 | 139.4 Ų | 139.4 | 91% | 0.909 | 70% | 0.702 | S | S | * | * | | | trans | -76.8 | 130.9 | 152.2 | -74.3 | -53.9 | 0 | 0 | 0 | 107 | | |
| 228 | G | 54.3 | Low | 62.1 | Low | 38 Ų | 38 | 140.2 Ų | 140.2 | 39% | 0.392 | 71% | 0.712 | S | S | . | * | | | trans | 115.6 | 102.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | H226 V230 | H226-G228 PolarHBondContact CE1-O 3.1Å; H226-G228 PolarHBondContact ND1-O 2.89Å; H226-G228 VanDerWaalsContact ND1-O 3.1Å; G228-V230 VanDerWaalsContact C-N 3.34Å; G228-V230 PolarHBondContact O-N 3.35Å |
| 229 | W | 59.5 | Low | 62.1 | Low | 256 Ų | 256 | 146.7 Ų | 146.7 | 97% | 0.97 | 73% | 0.734 | S | S | * | * | | | trans | -53.9 | 104.4 | 147.5 | -92.1 | -52.5 | 0 | 0 | 0 | 108.2 | | |
| 230 | V | 60.5 | Low | 61.8 | Low | 120 Ų | 120 | 150.9 Ų | 150.9 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | | | trans | -136.5 | 80.6 | 157 | -173.4 | 0 | 0 | 0 | 0 | 105.8 | G228 H232 | G228-V230 VanDerWaalsContact C-N 3.34Å; G228-V230 PolarHBondContact O-N 3.35Å; V230-H232 PolarHBondContact O-N 2.98Å |
| 231 | V | 61.8 | Low | 61.5 | Low | 124 Ų | 124 | 158.4 Ų | 158.4 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | | | trans | -61.9 | 115.1 | 159.1 | -179.6 | 0 | 0 | 0 | 0 | 104.8 | Q233 | V231-Q233 VanDerWaalsContact C-N 3.3Å; V231-Q233 PolarHBondContact O-N 3.38Å |
| 232 | H | 65.7 | Low | 61.6 | Low | 165 Ų | 165 | 161.6 Ų | 161.6 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | | | trans | -66.9 | 93.3 | 176.9 | -178.2 | -80.7 | 0 | 0 | 0 | 108.2 | V230 P234 | V230-H232 PolarHBondContact O-N 2.98Å; H232-P234 WeakPolarHBondContact O-CD 3.33Å |
| 233 | Q | 71.8 | Confident | 61.7 | Low | 166 Ų | 166 | 160.6 Ų | 160.6 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -77 | 117.4 | 179.1 | -159.5 | 176.9 | -7.2 | 0 | 0 | 108.3 | V231 C235 | V231-Q233 VanDerWaalsContact C-N 3.3Å; V231-Q233 PolarHBondContact O-N 3.38Å; Q233-C235 PolarHBondContact O-N 3.31Å |
| 234 | P | 66.8 | Low | 62 | Low | 108 Ų | 108 | 160.1 Ų | 160.1 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -69 | 122.8 | 178.2 | 25.5 | -29.9 | 0 | 0 | 0 | 109.9 | H232 | H232-P234 WeakPolarHBondContact O-CD 3.33Š|
| 235 | C | 67.8 | Low | 62.1 | Low | 114 Ų | 114 | 162.9 Ų | 162.9 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 143.9 | 175.1 | -67.7 | 0 | 0 | 0 | 0 | 111.1 | Q233 R237 | Q233-C235 PolarHBondContact O-N 3.31Å; C235-R237 PolarHBondContact O-N 2.86Å |
| 236 | P | 66.3 | Low | 62.2 | Low | 121 Ų | 121 | 161.3 Ų | 161.3 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 126.9 | 177.7 | 26.9 | -32.2 | 0 | 0 | 0 | 110.6 | Q238 | P236-Q238 PolarHBondContact O-N 3.42Š|
| 237 | R | 68.6 | Low | 62.6 | Low | 213 Ų | 213 | 161.3 Ų | 161.3 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 120.6 | 170.2 | -82.2 | -174.4 | 179 | -159.2 | 0.3 | 108.9 | C235 Y239 | C235-R237 PolarHBondContact O-N 2.86Å; R237-Y239 HydrophobicContact CB-CE2 4.33Å; R237-Y239 PolarHBondContact O-N 3.38Å |
| 238 | Q | 67.4 | Low | 62.9 | Low | 176 Ų | 176 | 160.7 Ų | 160.7 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | | | trans | -78.9 | 111.8 | 167.4 | -64.1 | -176.1 | -43.6 | 0 | 0 | 108 | P236 | P236-Q238 PolarHBondContact O-N 3.42Š|
| 239 | Y | 63.6 | Low | 63.6 | Low | 193 Ų | 193 | 170.2 Ų | 170.2 | 76% | 0.757 | 82% | 0.818 | S | S | * | * | | | trans | -80 | 118.4 | 166.6 | -72.2 | -87.7 | 0 | 0 | 0 | 107.8 | R237 | R237-Y239 HydrophobicContact CB-CE2 4.33Å; R237-Y239 PolarHBondContact O-N 3.38Å |
| 240 | N | 53.4 | Low | 63.9 | Low | 152 Ų | 152 | 163 Ų | 163 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | | | trans | -88.3 | 125.1 | 165.4 | -67.7 | -67.4 | 0 | 0 | 0 | 107.4 | | |
| 241 | Y | 53.8 | Low | 64.3 | Low | 304 Ų | 304 | 166.9 Ų | 166.9 | 100% | 1.192 | 81% | 0.812 | S | S | * | * | | | trans | -79.4 | 0 | 161.5 | -80.1 | -88.6 | 0 | 0 | 0 | 109.8 | | |