| 1 | M | 51.6 | Low | 57.3 | Low | 247 Ų | 247 | 154.9 Ų | 154.9 | 100% | 1.217 | 81% | 0.81 | S | S | * | * | | | | 0 | 70.2 | 0 | -70.8 | 176.2 | 170.7 | 0 | 0 | 107.3 | | |
| 2 | S | 55.6 | Low | 57 | Low | 124 Ų | 124 | 149.8 Ų | 149.8 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | | | trans | -107.1 | 142.1 | 173.4 | -63 | 0 | 0 | 0 | 0 | 107.6 | W4 | S2-W4 PolarHBondContact O-N 2.96Š|
| 3 | D | 59.8 | Low | 55.8 | Low | 116 Ų | 116 | 153.5 Ų | 153.5 | 62% | 0.62 | 81% | 0.807 | S | S | * | * | | | trans | -76.7 | 105.1 | -154.9 | -157.5 | 2.4 | 0 | 0 | 0 | 111.4 | L5 | D3-L5 PolarHBondContact O-N 3.4Š|
| 4 | W | 64.9 | Low | 55.5 | Low | 229 Ų | 229 | 152.6 Ų | 152.6 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | -24.4 | 173.9 | 146 | -48.3 | 0 | 0 | 0 | 111.6 | S2 | S2-W4 PolarHBondContact O-N 2.96Š|
| 5 | L | 61.6 | Low | 55.1 | Low | 133 Ų | 133 | 152.6 Ų | 152.6 | 70% | 0.696 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -12.6 | -169.2 | -87.4 | 118.2 | 0 | 0 | 0 | 114.6 | D3 | D3-L5 PolarHBondContact O-N 3.4Š|
| 6 | D | 57.9 | Low | 55 | Low | 129 Ų | 129 | 152.8 Ų | 152.8 | 69% | 0.69 | 80% | 0.799 | S | S | * | * | G | 310 helix | trans | -84.1 | -15.6 | -170.9 | -154.1 | 36.7 | 0 | 0 | 0 | 113.9 | | |
| 7 | D | 60.3 | Low | 55.2 | Low | 148 Ų | 148 | 152.5 Ų | 152.5 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | G | 310 helix | trans | -93.2 | -1.3 | -174.3 | -134.3 | 21.7 | 0 | 0 | 0 | 114.2 | | |
| 8 | Q | 61.4 | Low | 55.5 | Low | 173 Ų | 173 | 149.8 Ų | 149.8 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | G | 310 helix | trans | -93.9 | 5 | -179.3 | -67.8 | -68.7 | -49.9 | 0 | 0 | 113.9 | | |
| 9 | A | 56.1 | Low | 56.2 | Low | 80 Ų | 80 | 148.5 Ų | 148.5 | 66% | 0.661 | 79% | 0.792 | S | S | * | * | | | trans | -105.4 | 15.4 | -165.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | E11 | A9-E11 PolarHBondContact O-N 3.45Š|
| 10 | V | 51.7 | Low | 56.7 | Low | 127 Ų | 127 | 150.2 Ų | 150.2 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | | | trans | -95.6 | 81.4 | 177.2 | -171.6 | 0 | 0 | 0 | 0 | 110.9 | S12 | V10-S12 PolarHBondContact O-N 2.84Š|
| 11 | E | 49.3 | Very low | 57.2 | Low | 198 Ų | 198 | 152.6 Ų | 152.6 | 93% | 0.925 | 80% | 0.799 | S | S | * | * | | | trans | -71.9 | 112.9 | 156.9 | -74.3 | -166.5 | 131.9 | 0 | 0 | 108.8 | A9 | A9-E11 PolarHBondContact O-N 3.45Š|
| 12 | S | 53.6 | Low | 58 | Low | 93 Ų | 93 | 152.3 Ų | 152.3 | 65% | 0.65 | 78% | 0.784 | S | S | * | * | | | trans | -151.6 | 93.8 | 160.9 | 55.5 | 0 | 0 | 0 | 0 | 110.3 | V10 | V10-S12 PolarHBondContact O-N 2.84Š|
| 13 | E | 41.4 | Very low | 58.4 | Low | 199 Ų | 199 | 151 Ų | 151 | 93% | 0.93 | 78% | 0.775 | S | S | * | * | | | | 35.1 | 93.9 | 124.1 | -164.6 | 152.4 | 79.2 | 0 | 0 | 116.2 | | |
| 14 | D | 51.4 | Low | 58.8 | Low | 141 Ų | 141 | 156.5 Ų | 156.5 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | | | trans | -158.4 | 111.1 | 150.7 | -148.5 | 38.3 | 0 | 0 | 0 | 111.8 | | |
| 15 | E | 49.4 | Very low | 58.7 | Low | 152 Ų | 152 | 150.5 Ų | 150.5 | 71% | 0.71 | 78% | 0.776 | S | S | * | * | | | trans | 26.1 | 120.2 | 132.5 | -137.4 | 85.5 | -175.1 | 0 | 0 | 119.8 | L17 | E15-L17 PolarHBondContact O-N 3.37Š|
| 16 | D | 53.5 | Low | 58.3 | Low | 155 Ų | 155 | 149.7 Ų | 149.7 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | | | trans | 54.7 | 43.2 | 141.8 | -95.2 | -30 | 0 | 0 | 0 | 120.5 | | |
| 17 | L | 58.7 | Low | 58.2 | Low | 149 Ų | 149 | 150.3 Ų | 150.3 | 78% | 0.78 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 122 | 169.7 | -72.8 | 159.8 | 0 | 0 | 0 | 112.2 | E15 | E15-L17 PolarHBondContact O-N 3.37Š|
| 18 | P | 61.3 | Low | 58.1 | Low | 104 Ų | 104 | 150.3 Ų | 150.3 | 68% | 0.675 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 149.5 | 175.1 | 26.3 | -33.2 | 0 | 0 | 0 | 110.5 | Q20 | P18-Q20 PolarHBondContact O-N 3.14Å; P18-Q20 VanDerWaalsContact O-N 3.08Å |
| 19 | P | 68 | Low | 58 | Low | 125 Ų | 125 | 149.4 Ų | 149.4 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 119.6 | -170.4 | 22.6 | -33.1 | 0 | 0 | 0 | 110.6 | K21 | P19-K21 PolarHBondContact O-N 3.42Å; P19-K21 VanDerWaalsContact O-N 3.11Å |
| 20 | Q | 67.2 | Low | 57.7 | Low | 182 Ų | 182 | 151.6 Ų | 151.6 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 118.2 | 176.1 | -78.2 | -178.3 | -6 | 0 | 0 | 109.3 | P18 R22 | P18-Q20 PolarHBondContact O-N 3.14Å; P18-Q20 VanDerWaalsContact O-N 3.08Å; Q20-R22 PolarHBondContact O-N 3.04Å |
| 21 | K | 66.2 | Low | 57.5 | Low | 201 Ų | 201 | 153.2 Ų | 153.2 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | | | trans | -64.4 | 106.3 | 163.3 | -67.5 | -178.9 | 179.5 | 178.9 | 0 | 106.4 | P19 S23 | P19-K21 PolarHBondContact O-N 3.42Å; P19-K21 VanDerWaalsContact O-N 3.11Å; K21-S23 PolarHBondContact O-N 3.13Å |
| 22 | R | 69.1 | Low | 57.7 | Low | 241 Ų | 241 | 151.5 Ų | 151.5 | 91% | 0.909 | 78% | 0.777 | S | S | * | * | | | trans | -66.6 | 88.4 | 169.9 | -61 | 179.2 | 73.2 | 169.9 | 2.7 | 107.3 | Q20 R24 | Q20-R22 PolarHBondContact O-N 3.04Å; R22-R24 PolarHBondContact O-N 2.91Å |
| 23 | S | 64.3 | Low | 57.7 | Low | 96 Ų | 96 | 155.7 Ų | 155.7 | 67% | 0.671 | 79% | 0.786 | S | S | * | * | | | trans | -67.3 | 117.7 | 164.6 | 56.2 | 0 | 0 | 0 | 0 | 106.7 | K21 V25 | K21-S23 PolarHBondContact O-N 3.13Å; S23-V25 PolarHBondContact O-N 3.13Å |
| 24 | R | 66.9 | Low | 58.2 | Low | 232 Ų | 232 | 155 Ų | 155 | 88% | 0.875 | 78% | 0.783 | S | S | * | * | | | trans | -66.5 | 100.5 | 170.6 | -165.9 | 169.5 | -176.2 | 107.8 | -1.8 | 106.3 | R22 V26 | R22-R24 PolarHBondContact O-N 2.91Å; R24-V26 PolarHBondContact O-N 2.84Å |
| 25 | V | 63.8 | Low | 58.1 | Low | 103 Ų | 103 | 155.3 Ų | 155.3 | 62% | 0.624 | 78% | 0.78 | S | S | * | * | | | trans | -68.8 | 111.9 | 166.1 | 179.3 | 0 | 0 | 0 | 0 | 104.9 | S23 D27 | S23-V25 PolarHBondContact O-N 3.13Å; V25-D27 HydrophobicContact CG1-CB 4.39Å; V25-D27 WeakPolarHBondContact CG1-OD2 3.24Å; V25-D27 PolarHBondContact O-N 3.47Å |
| 26 | V | 53.6 | Low | 58.4 | Low | 115 Ų | 115 | 156.6 Ų | 156.6 | 70% | 0.697 | 79% | 0.786 | S | S | * | * | | | trans | -85.8 | 94.2 | 163 | 179.5 | 0 | 0 | 0 | 0 | 102.9 | R24 D28 | R24-V26 PolarHBondContact O-N 2.84Å; V26-D28 PolarHBondContact O-N 3.33Å |
| 27 | D | 55.6 | Low | 58.5 | Low | 142 Ų | 142 | 157.7 Ų | 157.7 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | | | trans | -81.7 | 110.4 | 163.9 | -98.9 | -62.7 | 0 | 0 | 0 | 106 | V25 D29 | V25-D27 HydrophobicContact CG1-CB 4.39Å; V25-D27 WeakPolarHBondContact CG1-OD2 3.24Å; V25-D27 PolarHBondContact O-N 3.47Å; D27-D29 PolarHBondContact O-N 2.83Å |
| 28 | D | 58.1 | Low | 58.7 | Low | 149 Ų | 149 | 154.5 Ų | 154.5 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | | | trans | -79.7 | 84.8 | 178.6 | -163.1 | 45.7 | 0 | 0 | 0 | 105.8 | V26 | V26-D28 PolarHBondContact O-N 3.33Š|
| 29 | D | 59.6 | Low | 59.1 | Low | 153 Ų | 153 | 154.3 Ų | 154.3 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | | | trans | -124.5 | 73.8 | 173.7 | -125.4 | 1.4 | 0 | 0 | 0 | 106.8 | D27 D31 | D27-D29 PolarHBondContact O-N 2.83Å; D29-D31 PolarHBondContact O-N 2.9Å |
| 30 | D | 48.6 | Very low | 59.2 | Low | 127 Ų | 127 | 155.6 Ų | 155.6 | 68% | 0.679 | 76% | 0.758 | S | S | * | * | | | | 23.2 | 83.6 | 116.4 | -153.5 | 35 | 0 | 0 | 0 | 115 | | |
| 31 | D | 47.7 | Very low | 59.5 | Low | 160 Ų | 160 | 152.5 Ų | 152.5 | 86% | 0.856 | 74% | 0.742 | S | S | * | * | | | trans | -138.5 | 73.1 | 148.5 | -135.5 | -6.6 | 0 | 0 | 0 | 107.3 | D29 E33 | D29-D31 PolarHBondContact O-N 2.9Å; D31-E33 PolarHBondContact O-N 2.92Å |
| 32 | E | 53.5 | Low | 59.9 | Low | 163 Ų | 163 | 146.3 Ų | 146.3 | 76% | 0.762 | 72% | 0.718 | S | S | * | * | | | trans | -60.8 | 101.7 | 159.3 | -71.5 | -178.9 | 156.3 | 0 | 0 | 108.7 | | |
| 33 | E | 53.4 | Low | 60.1 | Low | 180 Ų | 180 | 139.2 Ų | 139.2 | 84% | 0.841 | 70% | 0.701 | S | S | * | * | | | trans | 170.5 | 135.8 | 147.5 | -96.3 | 170.7 | -154.7 | 0 | 0 | 108.2 | D31 | D31-E33 PolarHBondContact O-N 2.92Š|
| 34 | E | 52.6 | Low | 60.7 | Low | 186 Ų | 186 | 142 Ų | 142 | 87% | 0.869 | 70% | 0.704 | S | S | * | * | S | Bend | trans | 91.3 | 85.3 | 176.4 | -49.7 | -174 | 173.4 | 0 | 0 | 116.1 | | |
| 35 | E | 50 | Low | 61.3 | Low | 147 Ų | 147 | 137 Ų | 137 | 69% | 0.687 | 69% | 0.691 | S | S | * | * | | | trans | -177.3 | 21 | 137.2 | -100.7 | 173.6 | -153.2 | 0 | 0 | 115.5 | E37 D38 | E35-E37 PolarHBondContact O-N 3.02Å; E35-D38 HydrophobicContact CG-CB 4.4Å; E35-D38 PolarHBondContact O-N 2.91Å; E35-D38 VanDerWaalsContact O-N 3.13Å |
| 36 | E | 54.6 | Low | 61.8 | Low | 179 Ų | 179 | 136.3 Ų | 136.3 | 84% | 0.836 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -60.7 | -19 | 178.9 | -71.2 | -165.4 | 173.6 | 0 | 0 | 114.8 | | |
| 37 | E | 56.2 | Low | 62.5 | Low | 178 Ų | 178 | 136.5 Ų | 136.5 | 83% | 0.832 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -82.9 | -22.3 | 177.6 | -69.8 | -174.4 | 176.9 | 0 | 0 | 113.8 | E35 | E35-E37 PolarHBondContact O-N 3.02Å |
| 38 | D | 63.3 | Low | 63.1 | Low | 81 Ų | 81 | 133.6 Ų | 133.6 | 43% | 0.433 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -82.6 | -32.2 | -177.1 | -154.9 | 39.5 | 0 | 0 | 0 | 111.5 | E35 K41 L42 | E35-D38 HydrophobicContact CG-CB 4.4Å; E35-D38 PolarHBondContact O-N 2.91Å; E35-D38 VanDerWaalsContact O-N 3.13Å; D38-K41 PolarHBondContact O-N 3.38Å; D38-L42 VanDerWaalsContact O-CB 3.22Å; D38-L42 WeakPolarHBondContact O-CB 3.36Å; D38-L42 PolarHBondContact O-N 2.88Å |
| 39 | D | 67.9 | Low | 63.6 | Low | 100 Ų | 100 | 135.2 Ų | 135.2 | 54% | 0.535 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -65.3 | -40.4 | 178.1 | -80.4 | -13.7 | 0 | 0 | 0 | 112.7 | K41 L42 T43 | D39-K41 VanDerWaalsContact C-N 3.34Å; D39-K41 PolarHBondContact O-N 2.91Å; D39-L42 PolarHBondContact O-N 3.01Å; D39-T43 WeakPolarHBondContact O-CB 3.43Å; D39-T43 WeakPolarHBondContact O-CG2 3.03Å; D39-T43 PolarHBondContact O-N 2.92Å; D39-T43 PolarHBondContact O-OG1 3.05Å |
| 40 | E | 70.6 | Confident | 63.9 | Low | 152 Ų | 152 | 132 Ų | 132 | 71% | 0.71 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -64.5 | -39.6 | 176.4 | -75 | -172.2 | 170.4 | 0 | 0 | 111.7 | T43 E44 | E40-T43 WeakPolarHBondContact CA-OG1 3.28Å; E40-T43 PolarHBondContact O-OG1 3.48Å; E40-E44 PolarHBondContact O-N 2.84Å; E40-E44 VanDerWaalsContact O-N 3.13Å |
| 41 | K | 75 | Confident | 64.5 | Low | 117 Ų | 117 | 132 Ų | 132 | 51% | 0.509 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -71.8 | -41.2 | 177.9 | -172.7 | -178.2 | 171.4 | -147.9 | 0 | 111.8 | D38 D39 T43 E44 E45 | D38-K41 PolarHBondContact O-N 3.38Å; D39-K41 VanDerWaalsContact C-N 3.34Å; D39-K41 PolarHBondContact O-N 2.91Å; K41-T43 VanDerWaalsContact C-N 3.34Å; K41-E44 PolarHBondContact O-N 3.07Å; K41-E45 VanDerWaalsContact CE-OE1 3.24Å; K41-E45 WeakPolarHBondContact CE-OE1 3.21Å; K41-E45 IonicContact NZ-OE1 2.83Å; K41-E45 WeakPolarHBondContact O-CG 3.22Å; K41-E45 PolarHBondContact O-N 3.3Å |
| 42 | L | 73.7 | Confident | 65.2 | Low | 71 Ų | 71 | 127.5 Ų | 127.5 | 37% | 0.372 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -62.9 | -42.2 | 176.8 | -171.8 | 66.7 | 0 | 0 | 0 | 111.3 | D38 D39 E45 M46 | D38-L42 VanDerWaalsContact O-CB 3.22Å; D38-L42 WeakPolarHBondContact O-CB 3.36Å; D38-L42 PolarHBondContact O-N 2.88Å; D39-L42 PolarHBondContact O-N 3.01Å; L42-E45 PolarHBondContact O-N 3.06Å; L42-M46 HydrophobicContact CD1-CE 3.74Å; L42-M46 HydrophobicContact CD2-CE 4.39Å; L42-M46 HydrophobicContact CG-CE 4.01Å; L42-M46 WeakPolarHBondContact O-CB 3.48Å; L42-M46 VanDerWaalsContact O-CG 3.28Å; L42-M46 WeakPolarHBondContact O-CG 3.43Å; L42-M46 PolarHBondContact O-N 3.27Å |
| 43 | T | 72 | Confident | 65.7 | Low | 92 Ų | 92 | 128.1 Ų | 128.1 | 56% | 0.564 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -66.9 | -38.7 | 177.3 | 52.1 | 0 | 0 | 0 | 0 | 112.1 | D39 E40 K41 M46 K47 | D39-T43 WeakPolarHBondContact O-CB 3.43Å; D39-T43 WeakPolarHBondContact O-CG2 3.03Å; D39-T43 PolarHBondContact O-N 2.92Å; D39-T43 PolarHBondContact O-OG1 3.05Å; E40-T43 WeakPolarHBondContact CA-OG1 3.28Å; E40-T43 PolarHBondContact O-OG1 3.48Å; K41-T43 VanDerWaalsContact C-N 3.34Å; T43-M46 PolarHBondContact O-N 3.21Å; T43-K47 WeakPolarHBondContact O-CB 3.38Å; T43-K47 PolarHBondContact O-N 3.07Å |
| 44 | E | 77.3 | Confident | 66 | Low | 155 Ų | 155 | 128.1 Ų | 128.1 | 72% | 0.724 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -65.6 | -41 | 173.4 | -168.9 | 172.4 | -160.7 | 0 | 0 | 112.3 | E40 K41 K47 | E40-E44 PolarHBondContact O-N 2.84Å; E40-E44 VanDerWaalsContact O-N 3.13Å; K41-E44 PolarHBondContact O-N 3.07Å; E44-K47 WeakPolarHBondContact O-CB 3.35Å; E44-K47 PolarHBondContact O-N 3.44Å |
| 45 | E | 79.3 | Confident | 66.2 | Low | 128 Ų | 128 | 125 Ų | 125 | 60% | 0.598 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -65.3 | -36.4 | 174.4 | -72.7 | -179.2 | -164.8 | 0 | 0 | 112.4 | K41 L42 | K41-E45 VanDerWaalsContact CE-OE1 3.24Å; K41-E45 WeakPolarHBondContact CE-OE1 3.21Å; K41-E45 IonicContact NZ-OE1 2.83Å; K41-E45 WeakPolarHBondContact O-CG 3.22Å; K41-E45 PolarHBondContact O-N 3.3Å; L42-E45 PolarHBondContact O-N 3.06Å |
| 46 | M | 75.6 | Confident | 66.5 | Low | 88 Ų | 88 | 124.9 Ų | 124.9 | 43% | 0.433 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -84.2 | -12.6 | 179.1 | -70 | -160.6 | -175.9 | 0 | 0 | 114.3 | L42 T43 G48 F49 I50 | L42-M46 HydrophobicContact CD1-CE 3.74Å; L42-M46 HydrophobicContact CD2-CE 4.39Å; L42-M46 HydrophobicContact CG-CE 4.01Å; L42-M46 WeakPolarHBondContact O-CB 3.48Å; L42-M46 VanDerWaalsContact O-CG 3.28Å; L42-M46 WeakPolarHBondContact O-CG 3.43Å; L42-M46 PolarHBondContact O-N 3.27Å; T43-M46 PolarHBondContact O-N 3.21Å; M46-G48 PolarHBondContact O-N 2.9Å; M46-G48 VanDerWaalsContact O-N 3.14Å; M46-F49 PolarHBondContact O-N 3.41Å; M46-I50 HydrophobicContact CB-CD1 4.35Å; M46-I50 PolarHBondContact O-N 3.24Å; M46-I50 HydrophobicContact SD-CD1 4.45Å |
| 47 | K | 67.8 | Low | 66.5 | Low | 119 Ų | 119 | 125.1 Ų | 125.1 | 52% | 0.517 | 63% | 0.63 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.2 | -27.1 | -179.8 | -160.8 | 175.1 | 179.5 | -157.1 | 0 | 112.8 | T43 E44 E55 | T43-K47 WeakPolarHBondContact O-CB 3.38Å; T43-K47 PolarHBondContact O-N 3.07Å; E44-K47 WeakPolarHBondContact O-CB 3.35Å; E44-K47 PolarHBondContact O-N 3.44Å; K47-E55 WeakPolarHBondContact CE-OE1 3.34Å; K47-E55 IonicContact NZ-OE1 3.33Å; K47-E55 PolarHBondContact NZ-OE1 3.16Å |
| 48 | G | 67.8 | Low | 66.5 | Low | 81 Ų | 81 | 125.8 Ų | 125.8 | 84% | 0.835 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -10.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | M46 | M46-G48 PolarHBondContact O-N 2.9Å; M46-G48 VanDerWaalsContact O-N 3.14Å |
| 49 | F | 68.3 | Low | 65.8 | Low | 183 Ų | 183 | 129.7 Ų | 129.7 | 80% | 0.803 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | -31.4 | 179.5 | -172 | -98.7 | 0 | 0 | 0 | 112.1 | M46 | M46-F49 PolarHBondContact O-N 3.41Š|
| 50 | I | 66.1 | Low | 64.6 | Low | 86 Ų | 86 | 133 Ų | 133 | 44% | 0.441 | 67% | 0.666 | S | S | . | * | S | Bend | trans | -103.8 | 103.6 | 178.7 | -54.6 | 174.3 | 0 | 0 | 0 | 107.7 | M46 T52 | M46-I50 HydrophobicContact CB-CD1 4.35Å; M46-I50 PolarHBondContact O-N 3.24Å; M46-I50 HydrophobicContact SD-CD1 4.45Å; I50-T52 HydrophobicContact CG2-CG2 3.99Å; I50-T52 PolarHBondContact O-N 3.48Å; I50-T52 VanDerWaalsContact O-N 3.07Å |
| 51 | V | 61.9 | Low | 63.5 | Low | 125 Ų | 125 | 133.8 Ų | 133.8 | 76% | 0.758 | 67% | 0.67 | S | S | * | * | | | trans | -70.1 | 101.4 | 164.5 | -179.8 | 0 | 0 | 0 | 0 | 106.8 | | |
| 52 | T | 62 | Low | 62.5 | Low | 66 Ų | 66 | 136.4 Ų | 136.4 | 41% | 0.405 | 68% | 0.684 | S | S | . | * | | | trans | -80.7 | 137.1 | 168.9 | 50.3 | 0 | 0 | 0 | 0 | 109 | I50 E54 E55 | I50-T52 HydrophobicContact CG2-CG2 3.99Å; I50-T52 PolarHBondContact O-N 3.48Å; I50-T52 VanDerWaalsContact O-N 3.07Å; T52-E54 PolarHBondContact O-N 3.15Å; T52-E55 PolarHBondContact O-N 3.32Å |
| 53 | E | 64.1 | Low | 61.4 | Low | 177 Ų | 177 | 141.3 Ų | 141.3 | 83% | 0.827 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -47.6 | -21.1 | 171.7 | -100.7 | 174.5 | 161.1 | 0 | 0 | 113.3 | | |
| 54 | E | 59.6 | Low | 60.2 | Low | 179 Ų | 179 | 144.4 Ų | 144.4 | 84% | 0.836 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -76.1 | -17.3 | -179.8 | -162.3 | 169 | -167.4 | 0 | 0 | 114.5 | T52 | T52-E54 PolarHBondContact O-N 3.15Š|
| 55 | E | 56.6 | Low | 59 | Low | 120 Ų | 120 | 142.1 Ų | 142.1 | 56% | 0.561 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -95.3 | 4.7 | 176.2 | -116.4 | 178.8 | -161 | 0 | 0 | 113.3 | K47 T52 | K47-E55 WeakPolarHBondContact CE-OE1 3.34Å; K47-E55 IonicContact NZ-OE1 3.33Å; K47-E55 PolarHBondContact NZ-OE1 3.16Å; T52-E55 PolarHBondContact O-N 3.32Å |
| 56 | E | 55.8 | Low | 57.9 | Low | 146 Ų | 146 | 144.6 Ų | 144.6 | 68% | 0.682 | 72% | 0.72 | S | S | * | * | | | trans | -94.3 | 7.9 | -174.6 | -147.3 | 171.6 | -169.5 | 0 | 0 | 113.7 | | |
| 57 | E | 56.4 | Low | 57 | Low | 184 Ų | 184 | 147.9 Ų | 147.9 | 86% | 0.86 | 74% | 0.739 | S | S | * | * | | | trans | -87.2 | 7.5 | -174.9 | -79.8 | -148.1 | 169.9 | 0 | 0 | 116.5 | | |
| 58 | E | 55 | Low | 55.8 | Low | 191 Ų | 191 | 146 Ų | 146 | 89% | 0.893 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -116.6 | 11 | -170.6 | -107.1 | -174.2 | -170.2 | 0 | 0 | 118.3 | | |
| 59 | D | 48.4 | Very low | 55.1 | Low | 163 Ų | 163 | 148.3 Ų | 148.3 | 87% | 0.872 | 75% | 0.747 | S | S | * | * | | | trans | -136.7 | 86.5 | 173.4 | -138.6 | 8.5 | 0 | 0 | 0 | 112.4 | | |
| 60 | E | 44.1 | Very low | 54.6 | Low | 169 Ų | 169 | 148.9 Ų | 148.9 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | | | trans | -69.9 | 146 | 170 | -63.7 | -177.6 | 150.2 | 0 | 0 | 111.3 | | |
| 61 | E | 46.9 | Very low | 54.1 | Low | 170 Ų | 170 | 152 Ų | 152 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | | | trans | 91.9 | 96.2 | 158.2 | -45.9 | -163.3 | 175.3 | 0 | 0 | 117.9 | | |
| 62 | E | 53.7 | Low | 53.6 | Low | 172 Ų | 172 | 154.5 Ų | 154.5 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | | | | -177.6 | 130.1 | 101.7 | -91.9 | -161.9 | -170.5 | 0 | 0 | 113.1 | | |
| 63 | E | 51.5 | Low | 53.4 | Low | 173 Ų | 173 | 156.8 Ų | 156.8 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | | | trans | 45.1 | 106.6 | 147.6 | -55.1 | -154.3 | 161 | 0 | 0 | 120.1 | | |
| 64 | D | 45.8 | Very low | 53.1 | Low | 157 Ų | 157 | 153 Ų | 153 | 84% | 0.84 | 78% | 0.776 | S | S | * | * | | | | 75.3 | 122.9 | 81.3 | -150.8 | 14.9 | 0 | 0 | 0 | 114.8 | | |
| 65 | D | 52.1 | Low | 53.4 | Low | 108 Ų | 108 | 148.5 Ų | 148.5 | 58% | 0.578 | 77% | 0.769 | S | S | * | * | | | trans | 69.5 | 91.3 | 154.3 | -156.8 | 28 | 0 | 0 | 0 | 119.3 | | |
| 66 | K | 55.7 | Low | 53.9 | Low | 179 Ų | 179 | 149.9 Ų | 149.9 | 78% | 0.778 | 78% | 0.776 | S | S | * | * | | | | 178.5 | 119.4 | 107.1 | -93.5 | 157.7 | -160.5 | 169.9 | 0 | 115 | G68 | K66-G68 PolarHBondContact O-N 3.45Š|
| 67 | N | 57.2 | Low | 54.8 | Low | 157 Ų | 157 | 146 Ų | 146 | 84% | 0.84 | 76% | 0.759 | S | S | * | * | | | trans | -20.6 | 118.3 | 155.6 | -62.7 | -67.6 | 0 | 0 | 0 | 116.3 | | |
| 68 | G | 43.2 | Very low | 55.9 | Low | 79 Ų | 79 | 143.8 Ų | 143.8 | 81% | 0.814 | 75% | 0.749 | S | S | * | * | | | | 72.7 | 74.7 | 119.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | K66 | K66-G68 PolarHBondContact O-N 3.45Š|
| 69 | D | 52 | Low | 57 | Low | 131 Ų | 131 | 141.6 Ų | 141.6 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | | | trans | -151.8 | 84 | 145.9 | -159.3 | 17.2 | 0 | 0 | 0 | 108.1 | E71 | D69-E71 PolarHBondContact O-N 3.1Š|
| 70 | E | 58.5 | Low | 58.7 | Low | 195 Ų | 195 | 139 Ų | 139 | 91% | 0.911 | 73% | 0.725 | S | S | * | * | | | trans | -67.6 | 78.8 | 162.2 | -79 | 179.2 | 137.8 | 0 | 0 | 107.1 | E72 | E70-E72 VanDerWaalsContact C-N 3.26Å; E70-E72 PolarHBondContact O-N 3.43Å |
| 71 | E | 54.6 | Low | 60.8 | Low | 152 Ų | 152 | 134.3 Ų | 134.3 | 71% | 0.71 | 71% | 0.705 | S | S | * | * | | | trans | -60.3 | 99.5 | 161 | -73.2 | -146.3 | 139.8 | 0 | 0 | 106.6 | D69 S73 | D69-E71 PolarHBondContact O-N 3.1Å; E71-S73 VanDerWaalsContact C-N 3.29Å; E71-S73 PolarHBondContact O-N 3.01Å |
| 72 | E | 52.9 | Low | 62.6 | Low | 176 Ų | 176 | 130.2 Ų | 130.2 | 82% | 0.822 | 69% | 0.686 | S | S | * | * | | | trans | -41.6 | 97.8 | 164.2 | -179.5 | -176.6 | -162.7 | 0 | 0 | 107.1 | E70 T74 | E70-E72 VanDerWaalsContact C-N 3.26Å; E70-E72 PolarHBondContact O-N 3.43Å; E72-T74 VanDerWaalsContact C-N 3.26Å; E72-T74 PolarHBondContact O-N 3.33Å |
| 73 | S | 56.3 | Low | 64.1 | Low | 114 Ų | 114 | 127.7 Ų | 127.7 | 80% | 0.797 | 67% | 0.674 | S | S | * | * | | | trans | -63.1 | 95.1 | 179.1 | -73.8 | 0 | 0 | 0 | 0 | 106.6 | E71 A75 | E71-S73 VanDerWaalsContact C-N 3.29Å; E71-S73 PolarHBondContact O-N 3.01Å; S73-A75 PolarHBondContact O-N 3.49Å |
| 74 | T | 58.9 | Low | 66 | Low | 97 Ų | 97 | 124 Ų | 124 | 60% | 0.595 | 66% | 0.659 | S | S | * | * | | | trans | -68.9 | 80.2 | 169.4 | 57.4 | 0 | 0 | 0 | 0 | 106.5 | E72 E76 | E72-T74 VanDerWaalsContact C-N 3.26Å; E72-T74 PolarHBondContact O-N 3.33Å; T74-E76 VanDerWaalsContact C-N 3.25Å; T74-E76 PolarHBondContact O-N 3.2Å |
| 75 | A | 64.7 | Low | 68 | Low | 85 Ų | 85 | 119 Ų | 119 | 70% | 0.702 | 63% | 0.633 | S | S | * | * | | | trans | -61.2 | 97 | 167.6 | 0 | 0 | 0 | 0 | 0 | 106.3 | S73 L77 | S73-A75 PolarHBondContact O-N 3.49Å; A75-L77 VanDerWaalsContact C-N 3.32Å; A75-L77 PolarHBondContact O-N 3.38Å |
| 76 | E | 68.1 | Low | 69.8 | Low | 149 Ų | 149 | 119.9 Ų | 119.9 | 70% | 0.696 | 63% | 0.633 | S | S | * | * | | | trans | -66.7 | 99.9 | 168.5 | -62.6 | -166.7 | 146.8 | 0 | 0 | 105.7 | T74 E78 K95 | T74-E76 VanDerWaalsContact C-N 3.25Å; T74-E76 PolarHBondContact O-N 3.2Å; E76-E78 PolarHBondContact O-N 3.1Å; E76-K95 IonicContact OE1-NZ 2.7Å; E76-K95 PolarHBondContact OE1-NZ 2.91Å |
| 77 | L | 73.7 | Confident | 71.4 | Confident | 64 Ų | 64 | 119.3 Ų | 119.3 | 34% | 0.335 | 63% | 0.633 | S | S | . | * | | | trans | -54.8 | 139.2 | 173.6 | -67.8 | 178.1 | 0 | 0 | 0 | 109.1 | A75 D81 Q82 L85 V93 | A75-L77 VanDerWaalsContact C-N 3.32Å; A75-L77 PolarHBondContact O-N 3.38Å; L77-D81 HydrophobicContact CB-CB 4.22Å; L77-Q82 HydrophobicContact CB-CG 3.84Å; L77-Q82 HydrophobicContact CD1-CG 4.44Å; L77-Q82 PolarHBondContact O-NE2 2.87Å; L77-L85 HydrophobicContact CD1-CD1 3.69Å; L77-V93 HydrophobicContact CD1-CG2 3.75Å |
| 78 | E | 80.9 | Confident | 73 | Confident | 139 Ų | 139 | 117.6 Ų | 117.6 | 65% | 0.65 | 62% | 0.624 | S | S | * | * | | | trans | -57 | 150.6 | 171.7 | -62 | -174.1 | 176.3 | 0 | 0 | 109.6 | E76 D80 D81 Q82 | E76-E78 PolarHBondContact O-N 3.1Å; E78-D80 PolarHBondContact O-N 2.84Å; E78-D81 PolarHBondContact O-N 2.77Å; E78-Q82 PolarHBondContact O-N 2.76Å |
| 79 | E | 78.5 | Confident | 75.2 | Confident | 145 Ų | 145 | 120.4 Ų | 120.4 | 68% | 0.678 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -56.7 | -38.5 | -176.9 | -171 | 166.6 | -160.2 | 0 | 0 | 111.2 | D81 Q82 E83 | E79-D81 VanDerWaalsContact C-N 3.35Å; E79-D81 PolarHBondContact O-N 3.02Å; E79-Q82 PolarHBondContact O-N 3.22Å; E79-E83 PolarHBondContact O-N 2.99Å |
| 80 | D | 84.3 | Confident | 76.9 | Confident | 109 Ų | 109 | 117.3 Ų | 117.3 | 58% | 0.583 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -59.5 | -41.5 | 175.9 | -65.7 | 2.8 | 0 | 0 | 0 | 112.2 | E78 Q82 E83 L84 | E78-D80 PolarHBondContact O-N 2.84Å; D80-Q82 PolarHBondContact O-N 2.76Å; D80-E83 PolarHBondContact O-N 3.34Å; D80-L84 WeakPolarHBondContact O-CG 3.38Å; D80-L84 PolarHBondContact O-N 3.32Å |
| 81 | D | 87.3 | Confident | 78.1 | Confident | 70 Ų | 70 | 114.3 Ų | 114.3 | 37% | 0.374 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -68.9 | -35.7 | 179.2 | -71.3 | -21.3 | 0 | 0 | 0 | 111.8 | L77 E78 E79 E83 L84 L85 | L77-D81 HydrophobicContact CB-CB 4.22Å; E78-D81 PolarHBondContact O-N 2.77Å; E79-D81 VanDerWaalsContact C-N 3.35Å; E79-D81 PolarHBondContact O-N 3.02Å; D81-E83 VanDerWaalsContact C-N 3.34Å; D81-L84 PolarHBondContact O-N 3.25Å; D81-L85 WeakPolarHBondContact O-CG 3.41Å; D81-L85 PolarHBondContact O-N 3.15Å; D81-L85 VanDerWaalsContact O-N 3.1Å |
| 82 | Q | 84.4 | Confident | 79.5 | Confident | 84 Ų | 84 | 109.7 Ų | 109.7 | 39% | 0.393 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -66.7 | -38.8 | 175.9 | -62.6 | -179.5 | 32.5 | 0 | 0 | 111.3 | L77 E78 E79 D80 Q86 | L77-Q82 HydrophobicContact CB-CG 3.84Å; L77-Q82 HydrophobicContact CD1-CG 4.44Å; L77-Q82 PolarHBondContact O-NE2 2.87Å; E78-Q82 PolarHBondContact O-N 2.76Å; E79-Q82 PolarHBondContact O-N 3.22Å; D80-Q82 PolarHBondContact O-N 2.76Å; Q82-Q86 PolarHBondContact O-N 3.16Å; Q82-Q86 VanDerWaalsContact O-N 3.16Å |
| 83 | E | 85.6 | Confident | 80.8 | Confident | 119 Ų | 119 | 104.6 Ų | 104.6 | 56% | 0.556 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.5 | -42.4 | 174.9 | -70.4 | -171.4 | 176.2 | 0 | 0 | 111.7 | E79 D80 D81 L85 Q86 E87 | E79-E83 PolarHBondContact O-N 2.99Å; D80-E83 PolarHBondContact O-N 3.34Å; D81-E83 VanDerWaalsContact C-N 3.34Å; E83-L85 PolarHBondContact O-N 3.33Å; E83-Q86 PolarHBondContact O-N 3.45Å; E83-Q86 VanDerWaalsContact O-N 3.15Å; E83-E87 PolarHBondContact O-N 3.3Å |
| 84 | L | 90.6 | Very high | 82 | Confident | 94 Ų | 94 | 107.2 Ų | 107.2 | 49% | 0.492 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62 | -41.6 | 177.5 | -73.2 | 172.7 | 0 | 0 | 0 | 112.9 | D80 D81 Q86 N88 | D80-L84 WeakPolarHBondContact O-CG 3.38Å; D80-L84 PolarHBondContact O-N 3.32Å; D81-L84 PolarHBondContact O-N 3.25Å; L84-Q86 VanDerWaalsContact C-N 3.29Å; L84-Q86 PolarHBondContact O-N 3.47Å; L84-N88 WeakPolarHBondContact O-CB 3.37Å; L84-N88 PolarHBondContact O-N 3.26Å; L84-N88 VanDerWaalsContact O-N 3.07Å; L84-N88 PolarHBondContact O-ND2 3.34Å |
| 85 | L | 88.5 | Confident | 82.9 | Confident | 54 Ų | 54 | 110.7 Ų | 110.7 | 28% | 0.283 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.8 | -37.7 | 175.1 | -73 | 170.8 | 0 | 0 | 0 | 111.6 | L77 D81 E83 L89 G90 Y91 V93 | L77-L85 HydrophobicContact CD1-CD1 3.69Å; D81-L85 WeakPolarHBondContact O-CG 3.41Å; D81-L85 PolarHBondContact O-N 3.15Å; D81-L85 VanDerWaalsContact O-N 3.1Å; E83-L85 PolarHBondContact O-N 3.33Å; L85-L89 CarbonylContact O-C 3.53Å; L85-L89 WeakPolarHBondContact O-CA 3.21Å; L85-L89 WeakPolarHBondContact O-CB 3.12Å; L85-L89 PolarHBondContact O-N 3.25Å; L85-L89 VanDerWaalsContact O-N 3.1Å; L85-G90 PolarHBondContact O-N 3.24Å; L85-Y91 CarbonylContact C-O 3.31Å; L85-Y91 VanDerWaalsContact C-O 3.31Å; L85-Y91 WeakPolarHBondContact CB-O 3.46Å; L85-Y91 HydrophobicContact CD1-CD1 4.41Å; L85-Y91 PolarHBondContact O-N 3.22Å; L85-V93 HydrophobicContact CD1-CG2 3.9Å |
| 86 | Q | 90.3 | Very high | 83.8 | Confident | 126 Ų | 126 | 116.3 Ų | 116.3 | 59% | 0.589 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -71.2 | -43.3 | 179.6 | -173 | 173.8 | -11.2 | 0 | 0 | 112 | Q82 E83 L84 G90 Y91 | Q82-Q86 PolarHBondContact O-N 3.16Å; Q82-Q86 VanDerWaalsContact O-N 3.16Å; E83-Q86 PolarHBondContact O-N 3.45Å; E83-Q86 VanDerWaalsContact O-N 3.15Å; L84-Q86 VanDerWaalsContact C-N 3.29Å; L84-Q86 PolarHBondContact O-N 3.47Å; Q86-G90 WeakPolarHBondContact O-CA 3.37Å; Q86-G90 PolarHBondContact O-N 3.06Å; Q86-G90 VanDerWaalsContact O-N 3.15Å; Q86-Y91 PolarHBondContact N-O 3.18Å |
| 87 | E | 89 | Confident | 84.3 | Confident | 166 Ų | 166 | 114.6 Ų | 114.6 | 78% | 0.776 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -70.5 | -46 | -179 | -173.3 | 176.8 | -166.2 | 0 | 0 | 112.5 | E83 | E83-E87 PolarHBondContact O-N 3.3Å |
| 88 | N | 90.2 | Very high | 84.7 | Confident | 122 Ų | 122 | 121.6 Ų | 121.6 | 65% | 0.652 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -86.8 | -35.4 | -171.7 | -66.4 | -73.4 | 0 | 0 | 0 | 113.5 | L84 | L84-N88 WeakPolarHBondContact O-CB 3.37Å; L84-N88 PolarHBondContact O-N 3.26Å; L84-N88 VanDerWaalsContact O-N 3.07Å; L84-N88 PolarHBondContact O-ND2 3.34Å |
| 89 | L | 89 | Confident | 84.8 | Confident | 137 Ų | 137 | 126.1 Ų | 126.1 | 72% | 0.717 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -117.3 | -4.9 | -172 | -142.6 | 70.2 | 0 | 0 | 0 | 113 | L85 Y91 | L85-L89 CarbonylContact O-C 3.53Å; L85-L89 WeakPolarHBondContact O-CA 3.21Å; L85-L89 WeakPolarHBondContact O-CB 3.12Å; L85-L89 PolarHBondContact O-N 3.25Å; L85-L89 VanDerWaalsContact O-N 3.1Å; L89-Y91 PolarHBondContact O-N 2.7Å |
| 90 | G | 88.3 | Confident | 84.9 | Confident | 66 Ų | 66 | 124.6 Ų | 124.6 | 68% | 0.68 | 62% | 0.616 | S | S | * | * | | | trans | 63.4 | 18.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L85 Q86 | L85-G90 PolarHBondContact O-N 3.24Å; Q86-G90 WeakPolarHBondContact O-CA 3.37Å; Q86-G90 PolarHBondContact O-N 3.06Å; Q86-G90 VanDerWaalsContact O-N 3.15Å |
| 91 | Y | 84.9 | Confident | 84.6 | Confident | 133 Ų | 133 | 128.6 Ų | 128.6 | 52% | 0.522 | 62% | 0.622 | S | S | . | * | | | trans | -101.5 | 120.2 | -170.2 | -171.9 | -103.5 | 0 | 0 | 0 | 111.1 | L85 Q86 L89 V93 | L85-Y91 CarbonylContact C-O 3.31Å; L85-Y91 VanDerWaalsContact C-O 3.31Å; L85-Y91 WeakPolarHBondContact CB-O 3.46Å; L85-Y91 HydrophobicContact CD1-CD1 4.41Å; L85-Y91 PolarHBondContact O-N 3.22Å; Q86-Y91 PolarHBondContact N-O 3.18Å; L89-Y91 PolarHBondContact O-N 2.7Å; Y91-V93 HydrophobicContact CD1-CG2 4.17Å; Y91-V93 HydrophobicContact CE1-CG2 3.79Å |
| 92 | S | 83.5 | Confident | 83.9 | Confident | 54 Ų | 54 | 129.5 Ų | 129.5 | 38% | 0.378 | 64% | 0.64 | S | S | . | * | | | trans | -106.4 | 121.8 | 173.5 | 71.3 | 0 | 0 | 0 | 0 | 110.1 | K94 | S92-K94 PolarHBondContact O-N 3.07Å; S92-K94 VanDerWaalsContact O-N 3.16Å; S92-K94 WeakPolarHBondContact OG-CE 3.49Å |
| 93 | V | 79.9 | Confident | 82.6 | Confident | 69 Ų | 69 | 134.8 Ų | 134.8 | 42% | 0.418 | 66% | 0.657 | S | S | . | * | | | trans | -73.2 | 108 | 173.5 | -174.5 | 0 | 0 | 0 | 0 | 109.1 | L77 L85 Y91 | L77-V93 HydrophobicContact CD1-CG2 3.75Å; L85-V93 HydrophobicContact CD1-CG2 3.9Å; Y91-V93 HydrophobicContact CD1-CG2 4.17Å; Y91-V93 HydrophobicContact CE1-CG2 3.79Å |
| 94 | K | 81.6 | Confident | 81.5 | Confident | 170 Ų | 170 | 135 Ų | 135 | 74% | 0.739 | 67% | 0.667 | S | S | * | * | | | trans | -103.8 | 130.5 | 173.7 | -71.2 | 173.9 | 179.4 | 161 | 0 | 109.2 | S92 K96 | S92-K94 PolarHBondContact O-N 3.07Å; S92-K94 VanDerWaalsContact O-N 3.16Å; S92-K94 WeakPolarHBondContact OG-CE 3.49Å; K94-K96 PolarHBondContact O-N 3.27Å |
| 95 | K | 78.5 | Confident | 79.7 | Confident | 170 Ų | 170 | 135.9 Ų | 135.9 | 74% | 0.739 | 69% | 0.687 | S | S | * | * | | | trans | -56.4 | 115.6 | 173 | -59.6 | -175 | 89.6 | 146.5 | 0 | 108.8 | E76 S97 | E76-K95 IonicContact OE1-NZ 2.7Å; E76-K95 PolarHBondContact OE1-NZ 2.91Å; K95-S97 PolarHBondContact O-N 3.38Å |
| 96 | K | 82 | Confident | 78 | Confident | 203 Ų | 203 | 138.3 Ų | 138.3 | 88% | 0.883 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 117.6 | 177.2 | 177.5 | 174.5 | 163.5 | -172.2 | 0 | 108.6 | K94 R98 | K94-K96 PolarHBondContact O-N 3.27Å; K96-R98 PolarHBondContact O-N 2.97Å |
| 97 | S | 79.7 | Confident | 76.1 | Confident | 112 Ų | 112 | 140.4 Ų | 140.4 | 78% | 0.783 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -67 | 121 | 175.3 | -173 | 0 | 0 | 0 | 0 | 110.2 | K95 R99 | K95-S97 PolarHBondContact O-N 3.38Å; S97-R99 PolarHBondContact O-N 2.83Å |
| 98 | R | 81.8 | Confident | 74.1 | Confident | 211 Ų | 211 | 135.2 Ų | 135.2 | 80% | 0.796 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 121.7 | 174.3 | -163.5 | 172.2 | 94.5 | 97.3 | -5.8 | 109.5 | K96 V100 | K96-R98 PolarHBondContact O-N 2.97Å; R98-V100 PolarHBondContact O-N 3.34Å |
| 99 | R | 82.9 | Confident | 72.2 | Confident | 234 Ų | 234 | 134.9 Ų | 134.9 | 88% | 0.883 | 72% | 0.723 | S | S | * | * | | | trans | -80.1 | 113.8 | 177.1 | -166.5 | 178.8 | -66 | 176.3 | 1 | 108.8 | S97 | S97-R99 PolarHBondContact O-N 2.83Š|
| 100 | V | 80 | Confident | 70.2 | Confident | 114 Ų | 114 | 132.6 Ų | 132.6 | 69% | 0.691 | 72% | 0.724 | S | S | * | * | | | trans | -77.9 | 122 | 170.9 | -179.2 | 0 | 0 | 0 | 0 | 108.3 | R98 A102 | R98-V100 PolarHBondContact O-N 3.34Å; V100-A102 PolarHBondContact O-N 3.31Å |
| 101 | R | 79 | Confident | 68.3 | Low | 192 Ų | 192 | 134.8 Ų | 134.8 | 73% | 0.725 | 73% | 0.728 | S | S | * | * | | | trans | -71.2 | 109.4 | 173.5 | -169 | 168.2 | -178.8 | 122.8 | -2.6 | 108.3 | Y103 | R101-Y103 HydrophobicContact CB-CD2 4.44Å; R101-Y103 HydrophobicContact CB-CE2 3.98Å; R101-Y103 HydrophobicContact CG-CD2 4.4Å; R101-Y103 HydrophobicContact CG-CE2 4.06Å; R101-Y103 WeakPolarHBondContact O-CD2 3.5Å; R101-Y103 PolarHBondContact O-N 3.48Å; R101-Y103 VanDerWaalsContact O-N 3.12Å |
| 102 | A | 71.6 | Confident | 66.9 | Low | 89 Ų | 89 | 137.3 Ų | 137.3 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | | | trans | -71.6 | 102.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | V100 T104 | V100-A102 PolarHBondContact O-N 3.31Å; A102-T104 PolarHBondContact O-N 3.03Å; A102-T104 VanDerWaalsContact O-N 3.13Å |
| 103 | Y | 58.7 | Low | 65.4 | Low | 196 Ų | 196 | 141.4 Ų | 141.4 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | | | trans | -74.4 | 99.2 | 170.3 | -70.1 | -91.4 | 0 | 0 | 0 | 108.1 | R101 A105 | R101-Y103 HydrophobicContact CB-CD2 4.44Å; R101-Y103 HydrophobicContact CB-CE2 3.98Å; R101-Y103 HydrophobicContact CG-CD2 4.4Å; R101-Y103 HydrophobicContact CG-CE2 4.06Å; R101-Y103 WeakPolarHBondContact O-CD2 3.5Å; R101-Y103 PolarHBondContact O-N 3.48Å; R101-Y103 VanDerWaalsContact O-N 3.12Å; Y103-A105 PolarHBondContact O-N 3.2Å |
| 104 | T | 62.3 | Low | 63.9 | Low | 124 Ų | 124 | 144.8 Ų | 144.8 | 76% | 0.761 | 77% | 0.774 | S | S | * | * | | | trans | -66.8 | 112.6 | 160.5 | 54.3 | 0 | 0 | 0 | 0 | 106.5 | A102 S106 | A102-T104 PolarHBondContact O-N 3.03Å; A102-T104 VanDerWaalsContact O-N 3.13Å; T104-S106 VanDerWaalsContact C-N 3.3Å; T104-S106 PolarHBondContact O-N 3.08Å |
| 105 | A | 51.6 | Low | 62.5 | Low | 111 Ų | 111 | 144 Ų | 144 | 92% | 0.917 | 78% | 0.783 | S | S | * | * | | | trans | -59.1 | 92.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y103 | Y103-A105 PolarHBondContact O-N 3.2Š|
| 106 | S | 52.9 | Low | 60.8 | Low | 105 Ų | 105 | 137.7 Ų | 137.7 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | | | trans | -122.5 | 107.2 | 168 | -169.2 | 0 | 0 | 0 | 0 | 106.4 | T104 G108 | T104-S106 VanDerWaalsContact C-N 3.3Å; T104-S106 PolarHBondContact O-N 3.08Å; S106-G108 PolarHBondContact O-N 3.12Å |
| 107 | D | 50.9 | Low | 59.3 | Low | 170 Ų | 170 | 134.5 Ų | 134.5 | 91% | 0.909 | 76% | 0.759 | S | S | * | * | | | trans | -24.3 | 118.9 | 168.4 | -172.2 | 27.2 | 0 | 0 | 0 | 113.7 | | |
| 108 | G | 46.5 | Very low | 58.2 | Low | 58 Ų | 58 | 136.6 Ų | 136.6 | 60% | 0.598 | 75% | 0.754 | S | S | * | * | | | trans | 169.4 | 68.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S106 | S106-G108 PolarHBondContact O-N 3.12Š|
| 109 | S | 50.8 | Low | 56.8 | Low | 115 Ų | 115 | 132.8 Ų | 132.8 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | | | trans | 35.6 | 98 | 146.5 | 51.3 | 0 | 0 | 0 | 0 | 116.7 | S111 | S109-S111 PolarHBondContact O-N 3.11Š|
| 110 | A | 46.2 | Very low | 55.5 | Low | 89 Ų | 89 | 126.2 Ų | 126.2 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | | | trans | -55.9 | 121 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111 | E112 | A110-E112 HydrophobicContact CB-CG 4.47Š|
| 111 | S | 47.9 | Very low | 54.3 | Low | 111 Ų | 111 | 128.7 Ų | 128.7 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | | | trans | -104.9 | 90.6 | 148.8 | 56.1 | 0 | 0 | 0 | 0 | 106.9 | S109 D113 | S109-S111 PolarHBondContact O-N 3.11Å; S111-D113 PolarHBondContact O-N 3.13Å; S111-D113 VanDerWaalsContact O-N 3.07Å |
| 112 | E | 56.1 | Low | 53.3 | Low | 186 Ų | 186 | 129.7 Ų | 129.7 | 87% | 0.869 | 75% | 0.748 | S | S | * | * | | | trans | -72.9 | 64.6 | 163.9 | -73.8 | 172 | 93.6 | 0 | 0 | 108.8 | A110 | A110-E112 HydrophobicContact CB-CG 4.47Š|
| 113 | D | 51.6 | Low | 52.5 | Low | 140 Ų | 140 | 133.1 Ų | 133.1 | 75% | 0.749 | 75% | 0.748 | S | S | * | * | | | trans | -167.7 | 63.9 | 172.7 | -156.5 | 36.9 | 0 | 0 | 0 | 112 | S111 | S111-D113 PolarHBondContact O-N 3.13Å; S111-D113 VanDerWaalsContact O-N 3.07Å |
| 114 | E | 49.1 | Very low | 52.3 | Low | 141 Ų | 141 | 128 Ų | 128 | 66% | 0.659 | 74% | 0.741 | S | S | * | * | | | trans | -149.2 | 52.7 | 159 | -149.3 | -178.2 | 126.9 | 0 | 0 | 109.5 | G116 K118 | E114-G116 PolarHBondContact O-N 3.22Å; E114-K118 WeakPolarHBondContact OE1-CE 3.33Å; E114-K118 IonicContact OE1-NZ 3.86Å; E114-K118 PolarHBondContact OE1-NZ 2.79Å |
| 115 | V | 53.2 | Low | 52.2 | Low | 152 Ų | 152 | 129.4 Ų | 129.4 | 92% | 0.921 | 74% | 0.743 | S | S | * | * | | | trans | -78.4 | 68.1 | 154.4 | -75.4 | 0 | 0 | 0 | 0 | 107.2 | | |
| 116 | G | 41.4 | Very low | 52.8 | Low | 39 Ų | 39 | 135 Ų | 135 | 40% | 0.402 | 74% | 0.742 | S | S | . | * | | | trans | -153.9 | 107.5 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E114 | E114-G116 PolarHBondContact O-N 3.22Š|
| 117 | D | 51.7 | Low | 53.1 | Low | 135 Ų | 135 | 134.4 Ų | 134.4 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | | | trans | 67.3 | 54.4 | 141.2 | -151.9 | 25.3 | 0 | 0 | 0 | 117.7 | | |
| 118 | K | 55.5 | Low | 53.2 | Low | 157 Ų | 157 | 134.2 Ų | 134.2 | 68% | 0.683 | 74% | 0.737 | S | S | * | * | | | trans | -115.7 | 13.3 | 163.9 | -70 | 177.3 | -176.3 | 139.4 | 0 | 113.5 | E114 | E114-K118 WeakPolarHBondContact OE1-CE 3.33Å; E114-K118 IonicContact OE1-NZ 3.86Å; E114-K118 PolarHBondContact OE1-NZ 2.79Å |
| 119 | V | 53 | Low | 53.3 | Low | 130 Ų | 130 | 135.3 Ų | 135.3 | 79% | 0.788 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -92.5 | -14.2 | -173.2 | 176.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 120 | T | 54.9 | Low | 52.9 | Low | 97 Ų | 97 | 138.2 Ų | 138.2 | 60% | 0.595 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -112.2 | -2.2 | -171.7 | 53.3 | 0 | 0 | 0 | 0 | 116.2 | R122 | T120-R122 VanDerWaalsContact C-N 3.32Å; T120-R122 PolarHBondContact O-N 3.42Å |
| 121 | Q | 54.8 | Low | 53.1 | Low | 166 Ų | 166 | 142.1 Ų | 142.1 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | 6.8 | -174.9 | -79.1 | -170.1 | -30 | 0 | 0 | 116.2 | | |
| 122 | R | 58.4 | Low | 53.4 | Low | 212 Ų | 212 | 143.7 Ų | 143.7 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | -4.8 | -173.2 | -62.7 | -169.5 | 69.9 | 177.4 | -2.2 | 115.4 | T120 | T120-R122 VanDerWaalsContact C-N 3.32Å; T120-R122 PolarHBondContact O-N 3.42Å |
| 123 | H | 54.8 | Low | 53.2 | Low | 162 Ų | 162 | 141.4 Ų | 141.4 | 75% | 0.75 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -114.5 | 3.1 | -169.6 | -56 | -71.7 | 0 | 0 | 0 | 115.6 | | |
| 124 | S | 55.5 | Low | 53.3 | Low | 89 Ų | 89 | 141.5 Ų | 141.5 | 62% | 0.622 | 79% | 0.785 | S | S | * | * | | | trans | -92.4 | 4.7 | -177.2 | 104.7 | 0 | 0 | 0 | 0 | 115.8 | Y126 | S124-Y126 VanDerWaalsContact C-N 3.28Å; S124-Y126 PolarHBondContact O-N 3.26Å |
| 125 | L | 60 | Low | 53.6 | Low | 152 Ų | 152 | 141.5 Ų | 141.5 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | 1.3 | -173.2 | -70.1 | 176.3 | 0 | 0 | 0 | 115.1 | | |
| 126 | Y | 63.6 | Low | 53.6 | Low | 229 Ų | 229 | 140.9 Ų | 140.9 | 90% | 0.898 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.4 | 9 | -175.7 | -67.1 | -76.5 | 0 | 0 | 0 | 115.3 | S124 | S124-Y126 VanDerWaalsContact C-N 3.28Å; S124-Y126 PolarHBondContact O-N 3.26Å |
| 127 | S | 59.7 | Low | 54.4 | Low | 93 Ų | 93 | 147.7 Ų | 147.7 | 65% | 0.65 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -103.6 | -0.6 | -172.4 | 74.2 | 0 | 0 | 0 | 0 | 117.6 | | |
| 128 | N | 52.4 | Low | 54.6 | Low | 166 Ų | 166 | 148.6 Ų | 148.6 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | | | trans | -130.1 | 97.3 | 179.7 | -91.8 | 18.6 | 0 | 0 | 0 | 112.1 | | |
| 129 | G | 47.8 | Very low | 54.5 | Low | 81 Ų | 81 | 147.9 Ų | 147.9 | 84% | 0.835 | 83% | 0.827 | S | S | * | * | | | trans | -161.3 | 4.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 130 | N | 43.7 | Very low | 54.7 | Low | 175 Ų | 175 | 149.4 Ų | 149.4 | 94% | 0.936 | 83% | 0.83 | S | S | * | * | | | trans | -94.5 | 95.4 | 177 | -160.5 | 23.9 | 0 | 0 | 0 | 109.9 | | |
| 131 | A | 50.3 | Low | 54.6 | Low | 171 Ų | 171 | 154.2 Ų | 154.2 | 100% | 1.413 | 85% | 0.851 | S | S | * | * | | | trans | -172.4 | 0 | 159.1 | 0 | 0 | 0 | 0 | 0 | 111 | | |