| 1 | M | 46.7 | Very low | 47.8 | Very low | 246 Ų | 246 | 146.1 Ų | 146.1 | 100% | 1.212 | 85% | 0.849 | S | S | * | * | | | | 0 | 106.4 | 0 | -81.3 | -73.1 | -93.1 | 0 | 0 | 108.9 | | |
| 2 | G | 43.3 | Very low | 47.3 | Very low | 75 Ų | 75 | 143.9 Ų | 143.9 | 77% | 0.773 | 85% | 0.845 | S | S | * | * | | | trans | -157.4 | 119.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 3 | K | 49.2 | Very low | 47.6 | Very low | 193 Ų | 193 | 148 Ų | 148 | 84% | 0.839 | 85% | 0.846 | S | S | * | * | | | trans | -95.8 | 108.9 | -176.5 | -68.7 | -177.5 | 178 | -179.5 | 0 | 109.4 | H5 | K3-H5 PolarHBondContact O-N 2.83Å; K3-H5 VanDerWaalsContact O-N 3.16Å |
| 4 | L | 51.4 | Low | 47.4 | Very low | 178 Ų | 178 | 151.2 Ų | 151.2 | 93% | 0.932 | 84% | 0.838 | S | S | * | * | | | trans | -70.6 | 106.5 | 172.1 | -69.4 | 174 | 0 | 0 | 0 | 109.6 | S6 | L4-S6 PolarHBondContact O-N 2.57Š|
| 5 | H | 45.5 | Very low | 47.7 | Very low | 164 Ų | 164 | 156.5 Ų | 156.5 | 76% | 0.759 | 84% | 0.84 | S | S | * | * | | | trans | -79.1 | 94 | 175.3 | 44.7 | 56.3 | 0 | 0 | 0 | 110.3 | K3 K7 | K3-H5 PolarHBondContact O-N 2.83Å; K3-H5 VanDerWaalsContact O-N 3.16Å; H5-K7 PolarHBondContact O-N 3.13Å |
| 6 | S | 49.9 | Very low | 47.9 | Very low | 118 Ų | 118 | 158.3 Ų | 158.3 | 83% | 0.825 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 124.7 | 169.9 | -171 | 0 | 0 | 0 | 0 | 109.8 | L4 | L4-S6 PolarHBondContact O-N 2.57Š|
| 7 | K | 56.6 | Low | 47.4 | Very low | 181 Ų | 181 | 154.1 Ų | 154.1 | 79% | 0.787 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -83 | 136.5 | 171.4 | -66.1 | -178.7 | 179.5 | 179.7 | 0 | 108.4 | H5 A9 | H5-K7 PolarHBondContact O-N 3.13Å; K7-A9 PolarHBondContact O-N 3.02Å |
| 8 | P | 46.3 | Very low | 47.8 | Very low | 124 Ų | 124 | 152.8 Ų | 152.8 | 81% | 0.805 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 137.6 | 169.7 | 27.3 | -33.5 | 0 | 0 | 0 | 109.4 | | |
| 9 | A | 44.3 | Very low | 47.8 | Very low | 97 Ų | 97 | 153.3 Ų | 153.3 | 80% | 0.802 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 139.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | K7 | K7-A9 PolarHBondContact O-N 3.02Š|
| 10 | A | 46 | Very low | 47.7 | Very low | 91 Ų | 91 | 149.1 Ų | 149.1 | 75% | 0.752 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 139.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | C12 | A10-C12 PolarHBondContact O-N 2.98Š|
| 11 | V | 46.3 | Very low | 47.3 | Very low | 140 Ų | 140 | 147 Ų | 147 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | | | trans | -66.3 | 105.7 | 176.7 | 176.3 | 0 | 0 | 0 | 0 | 109.3 | K13 | V11-K13 PolarHBondContact O-N 2.88Š|
| 12 | C | 42.1 | Very low | 47.1 | Very low | 120 Ų | 120 | 140.5 Ų | 140.5 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | | | trans | -62.2 | 115.8 | 170.8 | -65 | 0 | 0 | 0 | 0 | 109.4 | A10 | A10-C12 PolarHBondContact O-N 2.98Š|
| 13 | K | 50.6 | Low | 47.2 | Very low | 197 Ų | 197 | 145.2 Ų | 145.2 | 86% | 0.857 | 79% | 0.786 | S | S | * | * | | | trans | -61.2 | 137.9 | 167.7 | -75.4 | -174.6 | 172.7 | -175 | 0 | 109.2 | V11 R15 | V11-K13 PolarHBondContact O-N 2.88Å; K13-R15 PolarHBondContact O-N 3.28Å; K13-R15 VanDerWaalsContact O-N 3.14Å |
| 14 | R | 45.8 | Very low | 47 | Very low | 193 Ų | 193 | 140.6 Ų | 140.6 | 73% | 0.728 | 78% | 0.784 | S | S | * | * | | | trans | -55.1 | 118.6 | 171.4 | -164.2 | -178.4 | -160.7 | -142 | 0.7 | 107.9 | E16 D21 | R14-E16 PolarHBondContact O-N 2.95Å; R14-D21 IonicContact CZ-OD1 2.68Å; R14-D21 IonicContact CZ-OD2 2.81Å; R14-D21 IonicContact NH1-OD1 3.72Å; R14-D21 IonicContact NH1-OD2 2.79Å; R14-D21 PolarHBondContact NH1-OD2 3.1Å; R14-D21 IonicContact NH2-OD1 3.72Å; R14-D21 PolarHBondContact NH2-OD1 3.11Å; R14-D21 IonicContact NH2-OD2 3.21Å; R14-D21 PolarHBondContact NH2-OD2 3.32Å |
| 15 | R | 51.4 | Low | 46.4 | Very low | 230 Ų | 230 | 137.9 Ų | 137.9 | 87% | 0.868 | 77% | 0.774 | S | S | * | * | | | trans | -80.7 | 113.1 | 174.4 | -170.2 | 178.8 | -175.1 | -142.7 | -1.9 | 107.1 | K13 S17 | K13-R15 PolarHBondContact O-N 3.28Å; K13-R15 VanDerWaalsContact O-N 3.14Å; R15-S17 PolarHBondContact O-N 2.81Å |
| 16 | E | 50.9 | Low | 46.1 | Very low | 185 Ų | 185 | 135 Ų | 135 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | | | trans | -71.8 | 121.5 | 178 | -165.1 | 169.8 | 173.7 | 0 | 0 | 109.1 | R14 | R14-E16 PolarHBondContact O-N 2.95Š|
| 17 | S | 39.7 | Very low | 45.9 | Very low | 88 Ų | 88 | 134 Ų | 134 | 62% | 0.615 | 77% | 0.772 | S | S | * | * | | | trans | -94.6 | 141.9 | 170.8 | -66.2 | 0 | 0 | 0 | 0 | 108.5 | R15 E19 | R15-S17 PolarHBondContact O-N 2.81Å; S17-E19 PolarHBondContact O-N 3.47Å |
| 18 | P | 53.9 | Low | 45.4 | Very low | 131 Ų | 131 | 129.2 Ų | 129.2 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -73.6 | 7.4 | -179 | 31.9 | -36.4 | 0 | 0 | 0 | 114.2 | | |
| 19 | E | 47.9 | Very low | 45.3 | Very low | 161 Ų | 161 | 135 Ų | 135 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -135.1 | 117.4 | -170.6 | -69.6 | 168.9 | -153.7 | 0 | 0 | 110.2 | S17 | S17-E19 PolarHBondContact O-N 3.47Š|
| 20 | G | 45.9 | Very low | 45.5 | Very low | 69 Ų | 69 | 133.9 Ų | 133.9 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | | | trans | 48.2 | 95.9 | 161.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | S22 | G20-S22 VanDerWaalsContact C-N 3.32Å; G20-S22 PolarHBondContact O-N 3.05Å |
| 21 | D | 40.1 | Very low | 45.6 | Very low | 105 Ų | 105 | 139.9 Ų | 139.9 | 56% | 0.561 | 77% | 0.765 | S | S | * | * | | | trans | -72.9 | 80.2 | 172.4 | -162.3 | -1.7 | 0 | 0 | 0 | 112.3 | R14 F23 | R14-D21 IonicContact CZ-OD1 2.68Å; R14-D21 IonicContact CZ-OD2 2.81Å; R14-D21 IonicContact NH1-OD1 3.72Å; R14-D21 IonicContact NH1-OD2 2.79Å; R14-D21 PolarHBondContact NH1-OD2 3.1Å; R14-D21 IonicContact NH2-OD1 3.72Å; R14-D21 PolarHBondContact NH2-OD1 3.11Å; R14-D21 IonicContact NH2-OD2 3.21Å; R14-D21 PolarHBondContact NH2-OD2 3.32Å; D21-F23 PolarHBondContact O-N 3.34Å |
| 22 | S | 41.5 | Very low | 45.8 | Very low | 111 Ų | 111 | 142.6 Ų | 142.6 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | | | trans | -73.4 | 99.9 | 175.7 | -69.5 | 0 | 0 | 0 | 0 | 111.2 | G20 A24 | G20-S22 VanDerWaalsContact C-N 3.32Å; G20-S22 PolarHBondContact O-N 3.05Å; S22-A24 PolarHBondContact O-N 3.01Å; S22-A24 VanDerWaalsContact O-N 3.1Å |
| 23 | F | 45.7 | Very low | 46 | Very low | 174 Ų | 174 | 139 Ų | 139 | 76% | 0.763 | 75% | 0.75 | S | S | * | * | | | trans | -75.2 | 96 | -176.6 | 52.7 | -88.6 | 0 | 0 | 0 | 113.2 | D21 V25 | D21-F23 PolarHBondContact O-N 3.34Å; F23-V25 HydrophobicContact CD2-CG2 4.08Å; F23-V25 PolarHBondContact O-N 3.46Å |
| 24 | A | 45.3 | Very low | 46.2 | Very low | 95 Ų | 95 | 134.3 Ų | 134.3 | 79% | 0.785 | 73% | 0.732 | S | S | * | * | | | trans | -74.2 | 85.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111 | S22 S26 | S22-A24 PolarHBondContact O-N 3.01Å; S22-A24 VanDerWaalsContact O-N 3.1Å; A24-S26 PolarHBondContact O-N 3.13Å; A24-S26 VanDerWaalsContact O-N 3.16Å |
| 25 | V | 39.4 | Very low | 46.7 | Very low | 122 Ų | 122 | 132.7 Ų | 132.7 | 74% | 0.739 | 73% | 0.733 | S | S | * | * | | | trans | -64.8 | 114 | 175.3 | 169.3 | 0 | 0 | 0 | 0 | 110 | F23 A27 | F23-V25 HydrophobicContact CD2-CG2 4.08Å; F23-V25 PolarHBondContact O-N 3.46Å; V25-A27 PolarHBondContact O-N 3.49Å |
| 26 | S | 37.7 | Very low | 46.9 | Very low | 103 Ų | 103 | 127.3 Ų | 127.3 | 72% | 0.72 | 72% | 0.718 | S | S | * | * | | | trans | -71.4 | 119.3 | 175.5 | -68 | 0 | 0 | 0 | 0 | 110.6 | A24 A28 | A24-S26 PolarHBondContact O-N 3.13Å; A24-S26 VanDerWaalsContact O-N 3.16Å; S26-A28 PolarHBondContact O-N 3.32Å |
| 27 | A | 45.9 | Very low | 46.8 | Very low | 98 Ų | 98 | 127 Ų | 127 | 81% | 0.81 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | 26.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | V25 | V25-A27 PolarHBondContact O-N 3.49Š|
| 28 | A | 46.2 | Very low | 47.7 | Very low | 79 Ų | 79 | 127.5 Ų | 127.5 | 65% | 0.653 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -22.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | S26 | S26-A28 PolarHBondContact O-N 3.32Š|
| 29 | W | 44.2 | Very low | 47.8 | Very low | 246 Ų | 246 | 124 Ų | 124 | 93% | 0.932 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -93.9 | -12.3 | -170.8 | -95 | -40.9 | 0 | 0 | 0 | 116.4 | R31 | W29-R31 PolarHBondContact O-N 3.04Š|
| 30 | A | 48.2 | Very low | 48.3 | Very low | 73 Ų | 73 | 124.7 Ų | 124.7 | 60% | 0.603 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -68.6 | -3.1 | -170.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | K32 | A30-K32 PolarHBondContact O-N 3.33Š|
| 31 | R | 49.6 | Very low | 48.6 | Very low | 217 Ų | 217 | 128.5 Ų | 128.5 | 82% | 0.819 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -92 | 15.5 | -171.6 | -73.4 | -166.4 | -75.9 | -160.2 | -4.5 | 116.3 | W29 | W29-R31 PolarHBondContact O-N 3.04Š|
| 32 | K | 50.3 | Low | 49.2 | Very low | 197 Ų | 197 | 133.2 Ų | 133.2 | 86% | 0.857 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -113.4 | -8 | 177.7 | -147.7 | -174.1 | 174.1 | -171.9 | 0 | 115.8 | A30 | A30-K32 PolarHBondContact O-N 3.33Š|
| 33 | G | 46.6 | Very low | 48.9 | Very low | 46 Ų | 46 | 133.9 Ų | 133.9 | 47% | 0.474 | 70% | 0.7 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.9 | -27 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | E35 E36 W37 | G33-E35 PolarHBondContact O-N 2.94Å; G33-E36 PolarHBondContact O-N 3.44Å; G33-W37 PolarHBondContact O-N 3.09Å |
| 34 | I | 54 | Low | 48.7 | Very low | 97 Ų | 97 | 131.9 Ų | 131.9 | 50% | 0.497 | 70% | 0.704 | S | S | . | * | H | α-helix | trans | -65.4 | -38.6 | -168.9 | -66.9 | 170.6 | 0 | 0 | 0 | 112.5 | E36 W37 I38 | I34-E36 VanDerWaalsContact C-N 3.32Å; I34-E36 PolarHBondContact O-N 2.98Å; I34-W37 WeakPolarHBondContact O-CB 3.39Å; I34-W37 PolarHBondContact O-N 2.91Å; I34-I38 HydrophobicContact CG2-CD1 4.2Å; I34-I38 WeakPolarHBondContact O-CG1 3.21Å; I34-I38 PolarHBondContact O-N 2.83Å |
| 35 | E | 57.1 | Low | 48.2 | Very low | 159 Ų | 159 | 131.4 Ų | 131.4 | 74% | 0.743 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -65.2 | -35.1 | -179.8 | -63.5 | 177.7 | -163.4 | 0 | 0 | 112.2 | G33 I38 G39 | G33-E35 PolarHBondContact O-N 2.94Å; E35-I38 PolarHBondContact O-N 3.01Å; E35-G39 PolarHBondContact O-N 3.27Å; E35-G39 VanDerWaalsContact O-N 3.11Å |
| 36 | E | 54.9 | Low | 47.7 | Very low | 117 Ų | 117 | 129.4 Ų | 129.4 | 55% | 0.547 | 71% | 0.712 | S | S | . | * | H | α-helix | trans | -71.7 | -31.9 | 176.6 | -152.2 | -166.5 | 143.3 | 0 | 0 | 112.2 | G33 I34 R40 | G33-E36 PolarHBondContact O-N 3.44Å; I34-E36 VanDerWaalsContact C-N 3.32Å; I34-E36 PolarHBondContact O-N 2.98Å; E36-R40 VanDerWaalsContact CD-NH2 3.29Å; E36-R40 PolarHBondContact O-N 3.37Å; E36-R40 IonicContact OE1-CZ 4Å; E36-R40 IonicContact OE1-NH1 3.55Å; E36-R40 PolarHBondContact OE1-NH1 2.79Å; E36-R40 IonicContact OE1-NH2 3.28Å; E36-R40 PolarHBondContact OE1-NH2 3.41Å |
| 37 | W | 48.2 | Very low | 47.6 | Very low | 178 Ų | 178 | 131.4 Ų | 131.4 | 67% | 0.674 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -66.6 | -46.6 | 171.7 | 146.6 | -80.4 | 0 | 0 | 0 | 111.7 | G33 I34 G39 R40 Q41 | G33-W37 PolarHBondContact O-N 3.09Å; I34-W37 WeakPolarHBondContact O-CB 3.39Å; I34-W37 PolarHBondContact O-N 2.91Å; W37-G39 VanDerWaalsContact C-N 3.27Å; W37-G39 PolarHBondContact O-N 3.3Å; W37-R40 PolarHBondContact O-N 2.8Å; W37-R40 VanDerWaalsContact O-N 3.16Å; W37-Q41 PolarHBondContact O-N 3.43Å |
| 38 | I | 60.2 | Low | 47 | Very low | 100 Ų | 100 | 132.4 Ų | 132.4 | 51% | 0.513 | 72% | 0.721 | S | S | . | * | H | α-helix | trans | -61.6 | -39.4 | 177.5 | -62.9 | 175.7 | 0 | 0 | 0 | 110.4 | I34 E35 R40 Q41 | I34-I38 HydrophobicContact CG2-CD1 4.2Å; I34-I38 WeakPolarHBondContact O-CG1 3.21Å; I34-I38 PolarHBondContact O-N 2.83Å; E35-I38 PolarHBondContact O-N 3.01Å; I38-R40 VanDerWaalsContact C-N 3.26Å; I38-R40 PolarHBondContact O-N 3.43Å; I38-Q41 PolarHBondContact O-N 2.69Å |
| 39 | G | 54.6 | Low | 46.5 | Very low | 58 Ų | 58 | 131.7 Ų | 131.7 | 60% | 0.598 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -61.6 | -27.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | E35 W37 | E35-G39 PolarHBondContact O-N 3.27Å; E35-G39 VanDerWaalsContact O-N 3.11Å; W37-G39 VanDerWaalsContact C-N 3.27Å; W37-G39 PolarHBondContact O-N 3.3Å |
| 40 | R | 58.5 | Low | 46.1 | Very low | 174 Ų | 174 | 125.8 Ų | 125.8 | 66% | 0.657 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -90.3 | -9 | 179.3 | -86.4 | -169.6 | -76.6 | -91.1 | 4.9 | 115.1 | E36 W37 I38 | E36-R40 VanDerWaalsContact CD-NH2 3.29Å; E36-R40 PolarHBondContact O-N 3.37Å; E36-R40 IonicContact OE1-CZ 4Å; E36-R40 IonicContact OE1-NH1 3.55Å; E36-R40 PolarHBondContact OE1-NH1 2.79Å; E36-R40 IonicContact OE1-NH2 3.28Å; E36-R40 PolarHBondContact OE1-NH2 3.41Å; W37-R40 PolarHBondContact O-N 2.8Å; W37-R40 VanDerWaalsContact O-N 3.16Å; I38-R40 VanDerWaalsContact C-N 3.26Å; I38-R40 PolarHBondContact O-N 3.43Å |
| 41 | Q | 51.9 | Low | 45.3 | Very low | 149 Ų | 149 | 133.1 Ų | 133.1 | 70% | 0.696 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -94.4 | 14.7 | 177.8 | -82.8 | -68.1 | -23.8 | 0 | 0 | 114.1 | W37 I38 | W37-Q41 PolarHBondContact O-N 3.43Å; I38-Q41 PolarHBondContact O-N 2.69Å |
| 42 | R | 53.7 | Low | 44.4 | Very low | 205 Ų | 205 | 131.7 Ų | 131.7 | 77% | 0.774 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -126.1 | 135.2 | 169.9 | -74.8 | -176.9 | 171.4 | 167.9 | -1.4 | 110.9 | | |
| 43 | C | 34.4 | Very low | 43.5 | Very low | 124 Ų | 124 | 129.6 Ų | 129.6 | 84% | 0.838 | 73% | 0.727 | S | S | * | * | | | trans | 73.3 | 104.7 | 177.7 | -57.3 | 0 | 0 | 0 | 0 | 116.5 | | |
| 44 | P | 42.7 | Very low | 42.7 | Very low | 132 Ų | 132 | 138.1 Ų | 138.1 | 86% | 0.857 | 75% | 0.745 | S | S | * | * | | | trans | -82.1 | 141.9 | 158.4 | 33.9 | -31.6 | 0 | 0 | 0 | 111.2 | | |
| 45 | G | 34.2 | Very low | 41.5 | Very low | 85 Ų | 85 | 141.5 Ų | 141.5 | 88% | 0.876 | 76% | 0.763 | S | S | * | * | | | trans | 82.8 | 121 | 167.3 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 46 | G | 28.7 | Very low | 40.2 | Very low | 80 Ų | 80 | 138.5 Ų | 138.5 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | | | trans | 163.1 | 77.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 47 | V | 35.7 | Very low | 39 | Very low | 146 Ų | 146 | 136.1 Ų | 136.1 | 89% | 0.885 | 77% | 0.772 | S | S | * | * | | | trans | -87.5 | 153.3 | -176.7 | -170.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 48 | S | 33.3 | Very low | 38.3 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | | | trans | 92.8 | 126.3 | 163.1 | -158.1 | 0 | 0 | 0 | 0 | 117.4 | | |
| 49 | G | 35.5 | Very low | 37 | Very low | 63 Ų | 63 | 137 Ų | 137 | 65% | 0.649 | 79% | 0.794 | S | S | * | * | | | trans | -126 | 145.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 50 | P | 36.1 | Very low | 35.8 | Very low | 122 Ų | 122 | 137.7 Ų | 137.7 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | | | trans | -91 | 120.8 | -174.5 | 32.9 | -32.5 | 0 | 0 | 0 | 113.4 | Q52 | P50-Q52 PolarHBondContact O-N 3.25Š|
| 51 | R | 30.9 | Very low | 34.5 | Very low | 227 Ų | 227 | 141.4 Ų | 141.4 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | | | trans | -67.9 | 107.3 | 164.6 | 167.7 | -178.4 | 164.3 | -172.4 | -4.5 | 109.5 | | |
| 52 | Q | 31.5 | Very low | 33.3 | Very low | 188 Ų | 188 | 137.4 Ų | 137.4 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | | | trans | -69.6 | 131.6 | 175.6 | -69.8 | -172.3 | 19.8 | 0 | 0 | 112.1 | P50 | P50-Q52 PolarHBondContact O-N 3.25Š|
| 53 | L | 30.1 | Very low | 32.3 | Very low | 153 Ų | 153 | 134.5 Ų | 134.5 | 80% | 0.801 | 82% | 0.818 | S | S | * | * | | | trans | -110.4 | 160.5 | 160.2 | -110.8 | 159.9 | 0 | 0 | 0 | 108.6 | | |
| 54 | R | 30.4 | Very low | 32.4 | Very low | 225 Ų | 225 | 137.8 Ų | 137.8 | 85% | 0.849 | 81% | 0.813 | S | S | * | * | | | trans | -94 | 164.1 | -166 | -66.6 | 178.5 | 173.3 | 158.8 | -3.4 | 113.3 | | |
| 55 | L | 29.7 | Very low | 31.8 | Very low | 168 Ų | 168 | 138.1 Ų | 138.1 | 88% | 0.88 | 80% | 0.804 | S | S | * | * | | | trans | 72.3 | 144.3 | 176.4 | -80.1 | 64.1 | 0 | 0 | 0 | 114.2 | | |
| 56 | A | 29.4 | Very low | 31.9 | Very low | 96 Ų | 96 | 140 Ų | 140 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | | | cis | -162.3 | 172.5 | -12.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 57 | G | 29.7 | Very low | 32 | Very low | 66 Ų | 66 | 143 Ų | 143 | 68% | 0.68 | 80% | 0.795 | S | S | * | * | | | trans | 86.2 | 91.8 | 148.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 58 | T | 32.3 | Very low | 31.7 | Very low | 124 Ų | 124 | 139.7 Ų | 139.7 | 76% | 0.761 | 79% | 0.79 | S | S | * | * | | | | 32.1 | 125.2 | 129 | 53.2 | 0 | 0 | 0 | 0 | 122.7 | | |
| 59 | I | 33.2 | Very low | 31.5 | Very low | 174 Ų | 174 | 141.4 Ų | 141.4 | 89% | 0.892 | 79% | 0.79 | S | S | * | * | | | trans | 73 | 138.5 | 141.8 | -58.6 | 163.5 | 0 | 0 | 0 | 117.8 | | |
| 60 | G | 29.1 | Very low | 31.8 | Very low | 72 Ų | 72 | 144.1 Ų | 144.1 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | | | trans | 154.9 | 77.9 | 157.5 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 61 | R | 31.1 | Very low | 31.5 | Very low | 252 Ų | 252 | 146.3 Ų | 146.3 | 95% | 0.951 | 80% | 0.798 | S | S | * | * | | | trans | -55.8 | 137.7 | 171.4 | 174.6 | -156.2 | -57.9 | -93.1 | 2.4 | 115 | | |
| 62 | G | 27.6 | Very low | 32 | Very low | 65 Ų | 65 | 144.3 Ų | 144.3 | 67% | 0.67 | 79% | 0.79 | S | S | * | * | | | trans | 102.6 | 161.8 | 160.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 63 | T | 31.8 | Very low | 31.8 | Very low | 143 Ų | 143 | 140.5 Ų | 140.5 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | | | cis | -152.5 | 167.1 | -5.8 | -69 | 0 | 0 | 0 | 0 | 109.5 | | |
| 64 | R | 36.7 | Very low | 31.7 | Very low | 193 Ų | 193 | 139 Ų | 139 | 73% | 0.728 | 77% | 0.773 | S | S | * | * | | | trans | -43.8 | 166.6 | 175.6 | -165 | -162.7 | -172.9 | -121.9 | 2.3 | 116.2 | | |
| 65 | E | 31.7 | Very low | 31.8 | Very low | 140 Ų | 140 | 135.1 Ų | 135.1 | 65% | 0.654 | 77% | 0.768 | S | S | * | * | | | trans | 96 | 153.1 | 157.5 | -54.7 | -167.9 | 174.3 | 0 | 0 | 117.3 | | |
| 66 | L | 36.5 | Very low | 31.8 | Very low | 125 Ų | 125 | 132.2 Ų | 132.2 | 65% | 0.654 | 76% | 0.762 | S | S | * | * | | | cis | -166.3 | 151.5 | -24.2 | -105.9 | 170.1 | 0 | 0 | 0 | 107.8 | | |
| 67 | V | 30.8 | Very low | 32.1 | Very low | 143 Ų | 143 | 135.4 Ų | 135.4 | 87% | 0.867 | 76% | 0.761 | S | S | * | * | | | trans | 60.5 | 146.5 | 155.2 | 174.2 | 0 | 0 | 0 | 0 | 118.4 | | |
| 68 | G | 28.6 | Very low | 32.5 | Very low | 75 Ų | 75 | 141.5 Ų | 141.5 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | | | trans | 167.8 | 116 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 69 | D | 28.8 | Very low | 32.8 | Very low | 155 Ų | 155 | 143.8 Ų | 143.8 | 83% | 0.829 | 77% | 0.773 | S | S | * | * | | | trans | -97.6 | 171 | -170.4 | -132.1 | -36 | 0 | 0 | 0 | 113.8 | | |
| 70 | V | 41.5 | Very low | 33 | Very low | 120 Ų | 120 | 144.8 Ų | 144.8 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | | | trans | -25.9 | 134.1 | 171.5 | 172.5 | 0 | 0 | 0 | 0 | 116.5 | | |
| 71 | L | 30 | Very low | 33.3 | Very low | 169 Ų | 169 | 147.4 Ų | 147.4 | 89% | 0.885 | 77% | 0.771 | S | S | * | * | | | trans | -136.4 | 147.9 | 140 | -170.6 | 59.2 | 0 | 0 | 0 | 110.1 | | |
| 72 | R | 41.3 | Very low | 33.9 | Very low | 185 Ų | 185 | 141 Ų | 141 | 70% | 0.698 | 76% | 0.756 | S | S | * | * | | | trans | -135.8 | 164.7 | 178.7 | -150 | -162.6 | 68.9 | -139.6 | -14.2 | 108.2 | | |
| 73 | D | 27.1 | Very low | 34.3 | Very low | 107 Ų | 107 | 146.7 Ų | 146.7 | 57% | 0.572 | 76% | 0.762 | S | S | * | * | | | trans | 76.8 | 138.5 | 179.6 | -52.3 | -13.2 | 0 | 0 | 0 | 113 | | |
| 74 | T | 29.1 | Very low | 34.9 | Very low | 121 Ų | 121 | 150 Ų | 150 | 74% | 0.742 | 76% | 0.759 | S | S | * | * | | | cis | -163.2 | 169 | -2.6 | 8.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 75 | L | 31.5 | Very low | 35.2 | Very low | 145 Ų | 145 | 148.4 Ų | 148.4 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | | | trans | 83.1 | 161.6 | 154.4 | -74.6 | 158.4 | 0 | 0 | 0 | 121.1 | | |
| 76 | S | 30 | Very low | 35.8 | Very low | 107 Ų | 107 | 150.3 Ų | 150.3 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | | | trans | 65.7 | 100 | -170.6 | -60.3 | 0 | 0 | 0 | 0 | 114 | | |
| 77 | E | 35.5 | Very low | 36.1 | Very low | 163 Ų | 163 | 149.7 Ų | 149.7 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | | | cis | 75.9 | 143.4 | 48.9 | -56.8 | -177.7 | 97.1 | 0 | 0 | 114 | | |
| 78 | E | 37.8 | Very low | 36.7 | Very low | 193 Ų | 193 | 147.2 Ų | 147.2 | 90% | 0.902 | 77% | 0.769 | S | S | * | * | | | trans | 65.7 | 126.9 | -170.5 | 92.4 | -154.2 | 144.1 | 0 | 0 | 115.5 | | |
| 79 | E | 38.1 | Very low | 37.4 | Very low | 173 Ų | 173 | 150.7 Ų | 150.7 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | | | cis | -150.3 | 129.8 | 3.1 | -171.7 | 167.9 | 95.6 | 0 | 0 | 109.3 | | |
| 80 | E | 37.7 | Very low | 38.2 | Very low | 194 Ų | 194 | 148.6 Ų | 148.6 | 91% | 0.907 | 76% | 0.764 | S | S | * | * | | | trans | -105.8 | 100 | -178.8 | -82.5 | -172.9 | 107.1 | 0 | 0 | 112.5 | D82 | E80-D82 VanDerWaalsContact C-N 3.31Å; E80-D82 PolarHBondContact O-N 3.45Å; E80-D82 VanDerWaalsContact O-N 3.09Å |
| 81 | D | 36 | Very low | 38.6 | Very low | 128 Ų | 128 | 148.3 Ų | 148.3 | 68% | 0.684 | 76% | 0.764 | S | S | * | * | | | trans | -81.4 | 72.1 | 169.4 | -113 | -27.8 | 0 | 0 | 0 | 110.9 | F83 | D81-F83 HydrophobicContact CB-CE2 4.22Å; D81-F83 VanDerWaalsContact O-CD2 3.3Å; D81-F83 WeakPolarHBondContact O-CD2 3.33Å; D81-F83 PolarHBondContact O-N 2.74Å |
| 82 | D | 44.4 | Very low | 39.2 | Very low | 118 Ų | 118 | 148.6 Ų | 148.6 | 63% | 0.631 | 76% | 0.761 | S | S | * | * | | | trans | -76.3 | 104.1 | 172.1 | -179.4 | 32.5 | 0 | 0 | 0 | 110.6 | E80 R84 | E80-D82 VanDerWaalsContact C-N 3.31Å; E80-D82 PolarHBondContact O-N 3.45Å; E80-D82 VanDerWaalsContact O-N 3.09Å; D82-R84 PolarHBondContact O-N 3.1Å; D82-R84 VanDerWaalsContact OD2-CD 3.27Å; D82-R84 WeakPolarHBondContact OD2-CD 3.32Å; D82-R84 WeakPolarHBondContact OD2-CG 3.37Å |
| 83 | F | 35.1 | Very low | 39.1 | Very low | 183 Ų | 183 | 149.3 Ų | 149.3 | 80% | 0.803 | 77% | 0.769 | S | S | * | * | | | trans | -71.7 | 68 | -177.4 | -73.1 | -86.8 | 0 | 0 | 0 | 113.1 | D81 L85 | D81-F83 HydrophobicContact CB-CE2 4.22Å; D81-F83 VanDerWaalsContact O-CD2 3.3Å; D81-F83 WeakPolarHBondContact O-CD2 3.33Å; D81-F83 PolarHBondContact O-N 2.74Å; F83-L85 PolarHBondContact O-N 2.98Å |
| 84 | R | 44.6 | Very low | 39.6 | Very low | 212 Ų | 212 | 150 Ų | 150 | 80% | 0.8 | 78% | 0.778 | S | S | * | * | | | trans | -70.5 | 98.1 | 176.2 | -66.2 | -176 | 58.9 | -165.3 | -6 | 111.2 | D82 E86 | D82-R84 PolarHBondContact O-N 3.1Å; D82-R84 VanDerWaalsContact OD2-CD 3.27Å; D82-R84 WeakPolarHBondContact OD2-CD 3.32Å; D82-R84 WeakPolarHBondContact OD2-CG 3.37Å; R84-E86 PolarHBondContact O-N 2.77Å |
| 85 | L | 44 | Very low | 39.9 | Very low | 160 Ų | 160 | 152.2 Ų | 152.2 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | | | trans | -68.5 | 98.5 | 178.5 | -170.8 | 71.2 | 0 | 0 | 0 | 111.7 | F83 | F83-L85 PolarHBondContact O-N 2.98Š|
| 86 | E | 43.4 | Very low | 39.9 | Very low | 181 Ų | 181 | 148.7 Ų | 148.7 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | | | trans | -77.6 | 120.4 | 175.3 | -171 | 175.8 | 174.6 | 0 | 0 | 111.4 | R84 | R84-E86 PolarHBondContact O-N 2.77Š|
| 87 | V | 43.1 | Very low | 40.3 | Very low | 111 Ų | 111 | 152.3 Ų | 152.3 | 67% | 0.673 | 79% | 0.794 | S | S | * | * | | | trans | -97.6 | 97.3 | 176.5 | -178.7 | 0 | 0 | 0 | 0 | 109.2 | L89 | V87-L89 PolarHBondContact O-N 3.34Š|
| 88 | A | 42.8 | Very low | 40.2 | Very low | 92 Ų | 92 | 148.1 Ų | 148.1 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | | | trans | -67.8 | 111.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 89 | L | 44.8 | Very low | 40 | Very low | 148 Ų | 148 | 145.5 Ų | 145.5 | 78% | 0.775 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 149.1 | 170.3 | -64.8 | 176.9 | 0 | 0 | 0 | 110.6 | V87 | V87-L89 PolarHBondContact O-N 3.34Š|
| 90 | P | 45.2 | Very low | 39.7 | Very low | 111 Ų | 111 | 141 Ų | 141 | 72% | 0.721 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 143.3 | 170.6 | -21.6 | 33.2 | 0 | 0 | 0 | 111.1 | E92 | P90-E92 PolarHBondContact O-N 3.09Š|
| 91 | P | 48.4 | Very low | 39.7 | Very low | 114 Ų | 114 | 138.7 Ų | 138.7 | 74% | 0.74 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 119.4 | -176.3 | 25.5 | -34 | 0 | 0 | 0 | 111.7 | | |
| 92 | E | 43.1 | Very low | 39.7 | Very low | 175 Ų | 175 | 138.7 Ų | 138.7 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 138.3 | 167.1 | -74.7 | -168.1 | 79.7 | 0 | 0 | 110.6 | P90 | P90-E92 PolarHBondContact O-N 3.09Š|
| 93 | K | 39.5 | Very low | 39.3 | Very low | 199 Ų | 199 | 140.5 Ų | 140.5 | 87% | 0.865 | 79% | 0.789 | S | S | * | * | | | trans | -104.7 | 66.7 | -177.6 | -59.4 | -178.9 | -172.9 | 176.6 | 0 | 110.2 | D95 | K93-D95 PolarHBondContact O-N 3.11Š|
| 94 | T | 38.5 | Very low | 39.2 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | | | trans | -82.9 | 87.5 | 172.4 | 29.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 95 | D | 33.9 | Very low | 38.5 | Very low | 167 Ų | 167 | 136.2 Ų | 136.2 | 89% | 0.893 | 78% | 0.779 | S | S | * | * | | | trans | -62.1 | 137.4 | 168.7 | -125.7 | -44.5 | 0 | 0 | 0 | 110.2 | K93 | K93-D95 PolarHBondContact O-N 3.11Š|
| 96 | G | 31.4 | Very low | 37.8 | Very low | 71 Ų | 71 | 136.2 Ų | 136.2 | 73% | 0.732 | 78% | 0.775 | S | S | * | * | | | trans | -81.5 | 130.5 | -157.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 97 | L | 40 | Very low | 37.7 | Very low | 183 Ų | 183 | 138.6 Ų | 138.6 | 96% | 0.958 | 78% | 0.776 | S | S | * | * | | | trans | -110.2 | 120.1 | 159.3 | -78.5 | 154.2 | 0 | 0 | 0 | 108.1 | | |
| 98 | G | 32.7 | Very low | 37.2 | Very low | 74 Ų | 74 | 139.9 Ų | 139.9 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | | | trans | -107.3 | -176.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 99 | S | 32.4 | Very low | 36.4 | Very low | 138 Ų | 138 | 141.4 Ų | 141.4 | 97% | 0.965 | 79% | 0.789 | S | S | * | * | | | trans | 74.6 | 137.3 | 179 | -159.7 | 0 | 0 | 0 | 0 | 116 | | |
| 100 | G | 32.8 | Very low | 35.8 | Very low | 78 Ų | 78 | 141.5 Ų | 141.5 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | trans | 139.3 | 101.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 101 | D | 37.4 | Very low | 35.2 | Very low | 146 Ų | 146 | 141.8 Ų | 141.8 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | | | trans | -90.9 | 159.9 | -173.1 | -171.3 | -150.7 | 0 | 0 | 0 | 114.3 | | |
| 102 | E | 36.3 | Very low | 34.6 | Very low | 128 Ų | 128 | 141 Ų | 141 | 60% | 0.598 | 78% | 0.783 | S | S | * | * | | | trans | 61.1 | 153.9 | 150.7 | 74.7 | 162.9 | -166.3 | 0 | 0 | 126.5 | | |
| 103 | K | 36.1 | Very low | 34.2 | Very low | 156 Ų | 156 | 138.8 Ų | 138.8 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | | | trans | 71.7 | 104.3 | 152.4 | -76.7 | -170.4 | -173.5 | 82.9 | 0 | 122.7 | | |
| 104 | K | 32.7 | Very low | 33.7 | Very low | 170 Ų | 170 | 133.2 Ų | 133.2 | 74% | 0.739 | 78% | 0.783 | S | S | * | * | | | | 68.8 | 123.9 | 104.5 | -168.4 | -123.3 | 177.5 | -149.5 | 0 | 120.9 | | |
| 105 | M | 30.7 | Very low | 33.6 | Very low | 135 Ų | 135 | 132 Ų | 132 | 67% | 0.665 | 78% | 0.78 | S | S | * | * | | | trans | 108.5 | 148.5 | 140.7 | -149.3 | 72.2 | 179.4 | 0 | 0 | 119.4 | | |
| 106 | E | 27.8 | Very low | 34.1 | Very low | 161 Ų | 161 | 134.1 Ų | 134.1 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | | | trans | 85.5 | 163.8 | 150.5 | -132.9 | 106.5 | 114.9 | 0 | 0 | 119.8 | | |
| 107 | R | 41.1 | Very low | 34.7 | Very low | 230 Ų | 230 | 139.4 Ų | 139.4 | 87% | 0.868 | 78% | 0.784 | S | S | * | * | | | trans | -141.3 | 167.4 | -169.9 | -80.8 | -79.8 | -167.2 | 128.6 | 0 | 109 | | |
| 108 | V | 33.8 | Very low | 34.7 | Very low | 139 Ų | 139 | 139.2 Ų | 139.2 | 84% | 0.842 | 78% | 0.778 | S | S | * | * | | | trans | 81.5 | 104.7 | 169.9 | -169.7 | 0 | 0 | 0 | 0 | 115.7 | | |
| 109 | S | 26.2 | Very low | 35 | Very low | 123 Ų | 123 | 143.5 Ų | 143.5 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | | | trans | -159 | 116.3 | 148.2 | -75.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 110 | E | 32.4 | Very low | 35.1 | Very low | 151 Ų | 151 | 144.1 Ų | 144.1 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | | | trans | -87.8 | 148.3 | 155.1 | -110.6 | -89 | 109.6 | 0 | 0 | 106.2 | C112 | E110-C112 PolarHBondContact OE1-N 3.25Š|
| 111 | P | 31 | Very low | 35.5 | Very low | 116 Ų | 116 | 149 Ų | 149 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | | | | -147.3 | 167.1 | 63.7 | 39.2 | -19.9 | 0 | 0 | 0 | 118.1 | | |
| 112 | C | 36.2 | Very low | 35.6 | Very low | 97 Ų | 97 | 148 Ų | 148 | 66% | 0.655 | 76% | 0.758 | S | S | * | * | | | trans | -49.5 | 150.9 | 161.9 | -69 | 0 | 0 | 0 | 0 | 114 | E110 | E110-C112 PolarHBondContact OE1-N 3.25Š|
| 113 | P | 34.3 | Very low | 35.6 | Very low | 129 Ų | 129 | 149.3 Ų | 149.3 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | | | | -145.8 | 157 | 74.7 | 39.4 | -21.8 | 0 | 0 | 0 | 117.5 | | |
| 114 | G | 29.8 | Very low | 36 | Very low | 82 Ų | 82 | 148.9 Ų | 148.9 | 85% | 0.845 | 77% | 0.769 | S | S | * | * | | | trans | -81.2 | -176.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 115 | S | 36.7 | Very low | 36 | Very low | 99 Ų | 99 | 146.7 Ų | 146.7 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | | | trans | -144.8 | 117.6 | 157 | 56.3 | 0 | 0 | 0 | 0 | 110.9 | K117 | S115-K117 PolarHBondContact O-N 3.29Š|
| 116 | K | 45.3 | Very low | 36.2 | Very low | 211 Ų | 211 | 145.4 Ų | 145.4 | 92% | 0.917 | 76% | 0.764 | S | S | * | * | | | trans | -83.6 | 96.5 | 171.4 | -66.6 | 177.1 | -177.7 | 176.7 | 0 | 108 | Q118 | K116-Q118 VanDerWaalsContact C-N 3.26Å; K116-Q118 PolarHBondContact O-N 3.46Å |
| 117 | K | 43.9 | Very low | 36.8 | Very low | 181 Ų | 181 | 144.2 Ų | 144.2 | 79% | 0.787 | 76% | 0.763 | S | S | * | * | | | trans | -74.7 | 80.8 | 176.7 | -69.6 | -170.3 | 179.5 | -178.6 | 0 | 110.8 | S115 L119 | S115-K117 PolarHBondContact O-N 3.29Å; K117-L119 PolarHBondContact O-N 2.89Å; K117-L119 VanDerWaalsContact O-N 3.11Å |
| 118 | Q | 38.7 | Very low | 36.5 | Very low | 179 Ų | 179 | 137 Ų | 137 | 84% | 0.836 | 75% | 0.745 | S | S | * | * | | | trans | -56.2 | 108.4 | 163.5 | 174.5 | 179.7 | -18.9 | 0 | 0 | 108.5 | K116 K120 | K116-Q118 VanDerWaalsContact C-N 3.26Å; K116-Q118 PolarHBondContact O-N 3.46Å; Q118-K120 PolarHBondContact O-N 2.81Å |
| 119 | L | 40.3 | Very low | 36.8 | Very low | 165 Ų | 165 | 134.7 Ų | 134.7 | 86% | 0.864 | 74% | 0.735 | S | S | * | * | | | trans | -68.5 | 106.3 | 177 | -69 | 174 | 0 | 0 | 0 | 109.1 | K117 | K117-L119 PolarHBondContact O-N 2.89Å; K117-L119 VanDerWaalsContact O-N 3.11Å |
| 120 | K | 32.7 | Very low | 37.8 | Very low | 151 Ų | 151 | 133.5 Ų | 133.5 | 66% | 0.657 | 72% | 0.722 | S | S | * | * | | | trans | -69.5 | 128.7 | 169.8 | -137.7 | -179.1 | 171.1 | -125.9 | 0 | 107.6 | Q118 E122 | Q118-K120 PolarHBondContact O-N 2.81Å; K120-E122 WeakPolarHBondContact CD-OE2 3.39Å; K120-E122 VanDerWaalsContact CE-OE2 3.22Å; K120-E122 WeakPolarHBondContact CE-OE2 3.43Å; K120-E122 WeakPolarHBondContact CG-OE2 3.41Å; K120-E122 IonicContact NZ-OE1 3.93Å; K120-E122 PolarHBondContact NZ-OE1 2.95Å; K120-E122 IonicContact NZ-OE2 2.75Å; K120-E122 PolarHBondContact NZ-OE2 2.79Å; K120-E122 PolarHBondContact O-N 2.68Å |
| 121 | F | 41.6 | Very low | 38.2 | Very low | 179 Ų | 179 | 133.2 Ų | 133.2 | 79% | 0.785 | 72% | 0.721 | S | S | * | * | | | trans | -82.4 | 57.6 | 175.1 | -142.1 | -86.9 | 0 | 0 | 0 | 109.6 | L124 | F121-L124 HydrophobicContact CE1-CD1 4.46Š|
| 122 | E | 40.7 | Very low | 39.3 | Very low | 125 Ų | 125 | 135.8 Ų | 135.8 | 58% | 0.584 | 72% | 0.722 | S | S | * | * | | | trans | -78.5 | 120.8 | 170.3 | -132.4 | 87.6 | 159.5 | 0 | 0 | 107.8 | K120 | K120-E122 WeakPolarHBondContact CD-OE2 3.39Å; K120-E122 VanDerWaalsContact CE-OE2 3.22Å; K120-E122 WeakPolarHBondContact CE-OE2 3.43Å; K120-E122 WeakPolarHBondContact CG-OE2 3.41Å; K120-E122 IonicContact NZ-OE1 3.93Å; K120-E122 PolarHBondContact NZ-OE1 2.95Å; K120-E122 IonicContact NZ-OE2 2.75Å; K120-E122 PolarHBondContact NZ-OE2 2.79Å; K120-E122 PolarHBondContact O-N 2.68Å |
| 123 | E | 36.1 | Very low | 39.9 | Very low | 156 Ų | 156 | 137.4 Ų | 137.4 | 73% | 0.729 | 73% | 0.725 | S | S | * | * | | | trans | 27.7 | 108 | 159.8 | -158.3 | 160.4 | -169.4 | 0 | 0 | 118.3 | Q125 | E123-Q125 HydrophobicContact CG-CB 4.29Å; E123-Q125 PolarHBondContact O-N 3.44Å |
| 124 | L | 43.3 | Very low | 40.6 | Very low | 147 Ų | 147 | 136.5 Ų | 136.5 | 77% | 0.77 | 72% | 0.721 | S | S | * | * | | | trans | -72.8 | 66.4 | 166 | -70.9 | 173.2 | 0 | 0 | 0 | 110.8 | F121 C126 | F121-L124 HydrophobicContact CE1-CD1 4.46Å; L124-C126 PolarHBondContact O-N 2.91Å |
| 125 | Q | 33.9 | Very low | 41.9 | Very low | 125 Ų | 125 | 136.5 Ų | 136.5 | 58% | 0.584 | 70% | 0.696 | S | S | * | * | | | trans | -71.2 | 92.8 | 174.4 | -175.5 | 175.6 | -28.1 | 0 | 0 | 109.8 | E123 D127 | E123-Q125 HydrophobicContact CG-CB 4.29Å; E123-Q125 PolarHBondContact O-N 3.44Å; Q125-D127 PolarHBondContact NE2-OD1 3.27Å; Q125-D127 PolarHBondContact O-N 3.07Å |
| 126 | C | 35.4 | Very low | 43.3 | Very low | 107 Ų | 107 | 138 Ų | 138 | 72% | 0.723 | 69% | 0.692 | S | S | * | * | | | trans | -74.3 | 90.6 | 168.2 | -65 | 0 | 0 | 0 | 0 | 109.9 | L124 V128 | L124-C126 PolarHBondContact O-N 2.91Å; C126-V128 VanDerWaalsContact C-N 3.34Å; C126-V128 PolarHBondContact O-N 3.38Å |
| 127 | D | 38.6 | Very low | 44.4 | Very low | 136 Ų | 136 | 133.1 Ų | 133.1 | 73% | 0.727 | 67% | 0.672 | S | S | * | * | | | trans | -64.5 | 90.4 | 171.6 | -79.7 | -26.5 | 0 | 0 | 0 | 111 | Q125 | Q125-D127 PolarHBondContact NE2-OD1 3.27Å; Q125-D127 PolarHBondContact O-N 3.07Å |
| 128 | V | 35.3 | Very low | 45.6 | Very low | 80 Ų | 80 | 131.6 Ų | 131.6 | 49% | 0.485 | 66% | 0.662 | S | S | . | * | | | trans | -94.1 | 117.6 | 172.4 | 178.5 | 0 | 0 | 0 | 0 | 108.7 | C126 | C126-V128 VanDerWaalsContact C-N 3.34Å; C126-V128 PolarHBondContact O-N 3.38Å |
| 129 | S | 39.9 | Very low | 47.4 | Very low | 90 Ų | 90 | 127 Ų | 127 | 63% | 0.629 | 65% | 0.646 | S | S | * | * | | | trans | -62.4 | 155.7 | -176 | 60.1 | 0 | 0 | 0 | 0 | 113.9 | | |
| 130 | V | 47.7 | Very low | 49.1 | Very low | 97 Ų | 97 | 122.5 Ų | 122.5 | 59% | 0.588 | 62% | 0.62 | S | S | * | * | | | trans | -102.6 | 95.3 | -177.7 | 167.5 | 0 | 0 | 0 | 0 | 110.5 | E132 | V130-E132 HydrophobicContact CG1-CB 4.39Š|
| 131 | E | 41.2 | Very low | 51.4 | Low | 146 Ų | 146 | 118.6 Ų | 118.6 | 68% | 0.682 | 61% | 0.608 | S | S | * | * | | | trans | -99.6 | 109.6 | 151.7 | -94.7 | 66.1 | -145 | 0 | 0 | 107.5 | D133 R135 | E131-D133 PolarHBondContact O-N 3.4Å; E131-R135 PolarHBondContact O-NH1 2.93Å |
| 132 | E | 54.5 | Low | 53.3 | Low | 169 Ų | 169 | 111 Ų | 111 | 79% | 0.79 | 58% | 0.576 | S | S | * | * | | | trans | -89.1 | 86.7 | -171 | -168.8 | 173.1 | 179.2 | 0 | 0 | 113.9 | V130 | V130-E132 HydrophobicContact CG1-CB 4.39Š|
| 133 | D | 47.4 | Very low | 55.1 | Low | 132 Ų | 132 | 112.1 Ų | 112.1 | 71% | 0.706 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -151.1 | 153 | 150 | -150.6 | -44.1 | 0 | 0 | 0 | 110.9 | E131 R135 | E131-D133 PolarHBondContact O-N 3.4Å; D133-R135 VanDerWaalsContact C-N 3.33Å; D133-R135 PolarHBondContact O-N 3.26Å; D133-R135 VanDerWaalsContact O-N 3.09Å |
| 134 | S | 50 | Low | 57.3 | Low | 110 Ų | 110 | 107 Ų | 107 | 77% | 0.769 | 55% | 0.554 | S | S | * | * | | | trans | 58.2 | 25.5 | 161.9 | -63 | 0 | 0 | 0 | 0 | 118.1 | Q136 | S134-Q136 PolarHBondContact O-N 2.79Š|
| 135 | R | 57 | Low | 58.8 | Low | 81 Ų | 81 | 108.1 Ų | 108.1 | 31% | 0.306 | 55% | 0.553 | S | S | . | * | | | trans | -71.8 | 114.6 | 174.1 | -77.5 | -169.8 | -89.2 | -87.4 | -2.1 | 112.8 | E131 D133 E137 | E131-R135 PolarHBondContact O-NH1 2.93Å; D133-R135 VanDerWaalsContact C-N 3.33Å; D133-R135 PolarHBondContact O-N 3.26Å; D133-R135 VanDerWaalsContact O-N 3.09Å; R135-E137 HydrophobicContact CB-CG 4.11Å |
| 136 | Q | 66.2 | Low | 61.1 | Low | 130 Ų | 130 | 106.3 Ų | 106.3 | 61% | 0.607 | 55% | 0.547 | S | S | * | . | | | trans | -88.6 | 107.8 | 159.8 | -70.9 | -174.2 | -19.2 | 0 | 0 | 109.1 | S134 L181 | S134-Q136 PolarHBondContact O-N 2.79Å; Q136-L181 HydrophobicContact CB-CD2 4.49Å |
| 137 | E | 68.6 | Low | 63.1 | Low | 110 Ų | 110 | 108 Ų | 108 | 51% | 0.514 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 126.1 | -178.2 | -54.5 | -155.8 | 147.9 | 0 | 0 | 111.2 | R135 R182 | R135-E137 HydrophobicContact CB-CG 4.11Å; E137-R182 WeakPolarHBondContact OE1-CD 3.31Å; E137-R182 IonicContact OE1-CZ 3.92Å; E137-R182 IonicContact OE1-NE 3.49Å; E137-R182 IonicContact OE1-NH1 3.17Å; E137-R182 PolarHBondContact OE1-NH1 3.47Å |
| 138 | W | 69.3 | Low | 65.1 | Low | 149 Ų | 149 | 105.9 Ų | 105.9 | 56% | 0.564 | 54% | 0.537 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117 | 118.8 | 179.1 | -63.5 | 81.7 | 0 | 0 | 0 | 108.9 | F140 R182 K184 | W138-F140 HydrophobicContact CB-CE2 3.85Å; W138-F140 HydrophobicContact CB-CZ 4.41Å; W138-R182 PolarHBondContact N-O 3.31Å; W138-K184 PolarHBondContact O-N 3.41Å; W138-K184 VanDerWaalsContact O-N 3.12Å |
| 139 | T | 76 | Confident | 67.1 | Low | 82 Ų | 82 | 104.2 Ų | 104.2 | 50% | 0.503 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 128.3 | 176.8 | -63.2 | 0 | 0 | 0 | 0 | 109.5 | K184 | T139-K184 WeakPolarHBondContact CA-O 3.27Å |
| 140 | F | 75.3 | Confident | 69 | Low | 71 Ų | 71 | 105.3 Ų | 105.3 | 31% | 0.311 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 125.6 | 176 | -65 | -90.2 | 0 | 0 | 0 | 109.5 | W138 I163 V183 K184 L185 T186 | W138-F140 HydrophobicContact CB-CE2 3.85Å; W138-F140 HydrophobicContact CB-CZ 4.41Å; F140-I163 HydrophobicContact CD1-CD1 4.49Å; F140-I163 HydrophobicContact CD2-CD1 3.88Å; F140-I163 HydrophobicContact CE1-CD1 4.46Å; F140-I163 HydrophobicContact CE2-CD1 3.85Å; F140-I163 HydrophobicContact CE2-CG1 4.37Å; F140-I163 HydrophobicContact CG-CD1 4.21Å; F140-I163 HydrophobicContact CZ-CD1 4.15Å; F140-I163 HydrophobicContact CZ-CG1 4.27Å; F140-V183 HydrophobicContact CD2-CG1 4.09Å; F140-V183 HydrophobicContact CE2-CG1 4.35Å; F140-K184 PolarHBondContact N-O 3.48Å; F140-L185 HydrophobicContact CB-CD1 4.48Å; F140-T186 PolarHBondContact O-N 2.99Å |
| 141 | T | 82.2 | Confident | 70.8 | Confident | 68 Ų | 68 | 102.4 Ų | 102.4 | 42% | 0.417 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 118.4 | 169.5 | -53.3 | 0 | 0 | 0 | 0 | 108.3 | Y143 T186 | T141-Y143 HydrophobicContact CG2-CD2 4.38Å; T141-Y143 HydrophobicContact CG2-CE1 4.23Å; T141-Y143 HydrophobicContact CG2-CE2 3.75Å; T141-T186 WeakPolarHBondContact CA-O 3.3Å |
| 142 | L | 80.2 | Confident | 73 | Confident | 21 Ų | 21 | 97.4 Ų | 97.4 | 11% | 0.11 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 129.7 | 176.5 | -178 | 53 | 0 | 0 | 0 | 109.7 | F145 V151 D155 I156 L159 L185 T186 | L142-F145 HydrophobicContact CD1-CE2 4.15Å; L142-V151 HydrophobicContact CD2-CG1 3.54Å; L142-V151 HydrophobicContact CD2-CG2 4.41Å; L142-V151 HydrophobicContact CG-CG1 4.22Å; L142-V151 HydrophobicContact CG-CG2 4.2Å; L142-D155 HydrophobicContact CD2-CB 4.39Å; L142-I156 HydrophobicContact CD2-CG1 4.21Å; L142-L159 HydrophobicContact CB-CD2 4.27Å; L142-L159 HydrophobicContact CD1-CD2 4.39Å; L142-L159 HydrophobicContact CD2-CD2 4.01Å; L142-L159 HydrophobicContact CG-CD2 4.47Å; L142-L185 HydrophobicContact CB-CD1 3.96Å; L142-T186 PolarHBondContact N-O 2.92Å |
| 143 | Y | 78.4 | Confident | 74.7 | Confident | 148 Ų | 148 | 97.7 Ų | 97.7 | 58% | 0.58 | 49% | 0.486 | S | S | * | . | | | trans | -107.5 | 151.2 | -178.9 | -66.4 | -86.9 | 0 | 0 | 0 | 111.1 | T141 F145 | T141-Y143 HydrophobicContact CG2-CD2 4.38Å; T141-Y143 HydrophobicContact CG2-CE1 4.23Å; T141-Y143 HydrophobicContact CG2-CE2 3.75Å; Y143-F145 WeakPolarHBondContact O-CD2 3.24Å; Y143-F145 PolarHBondContact O-N 3.36Å |
| 144 | D | 82.3 | Confident | 76.8 | Confident | 49 Ų | 49 | 96.9 Ų | 96.9 | 26% | 0.262 | 48% | 0.477 | S | S | . | . | | | trans | -80.1 | 79.7 | -176.7 | -166.8 | 78.8 | 0 | 0 | 0 | 110.5 | D146 N147 N148 G149 K150 | D144-D146 VanDerWaalsContact C-N 3.29Å; D144-D146 PolarHBondContact O-N 3.41Å; D144-N147 PolarHBondContact O-N 3.21Å; D144-N147 WeakPolarHBondContact OD2-CA 3.44Å; D144-N147 PolarHBondContact OD2-N 3.49Å; D144-N148 PolarHBondContact OD2-N 3.19Å; D144-G149 PolarHBondContact OD1-N 3.21Å; D144-G149 WeakPolarHBondContact OD2-CA 3.39Å; D144-G149 PolarHBondContact OD2-N 3.28Å; D144-K150 PolarHBondContact OD1-N 3.33Å |
| 145 | F | 75.4 | Confident | 78.7 | Confident | 170 Ų | 170 | 94.9 Ų | 94.9 | 75% | 0.746 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -25.7 | -170.8 | -69.4 | -74.2 | 0 | 0 | 0 | 114.6 | L142 Y143 N147 | L142-F145 HydrophobicContact CD1-CE2 4.15Å; Y143-F145 WeakPolarHBondContact O-CD2 3.24Å; Y143-F145 PolarHBondContact O-N 3.36Å; F145-N147 PolarHBondContact O-ND2 3.32Å |
| 146 | D | 82 | Confident | 80.2 | Confident | 87 Ų | 87 | 93.5 Ų | 93.5 | 47% | 0.465 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -3.6 | -180 | 72 | -17.5 | 0 | 0 | 0 | 113.4 | D144 N148 | D144-D146 VanDerWaalsContact C-N 3.29Å; D144-D146 PolarHBondContact O-N 3.41Å; D146-N148 VanDerWaalsContact C-N 3.25Å; D146-N148 PolarHBondContact O-N 3.12Å; D146-N148 WeakPolarHBondContact OD1-CB 3.2Å; D146-N148 PolarHBondContact OD1-N 3.35Å; D146-N148 WeakPolarHBondContact OD2-CB 3.41Å; D146-N148 PolarHBondContact OD2-ND2 3.34Å |
| 147 | N | 78.2 | Confident | 81.4 | Confident | 143 Ų | 143 | 90.9 Ų | 90.9 | 77% | 0.765 | 45% | 0.449 | S | S | * | . | | | trans | 61.7 | 27 | -179 | -53.6 | -105.2 | 0 | 0 | 0 | 113.5 | D144 F145 G149 | D144-N147 PolarHBondContact O-N 3.21Å; D144-N147 WeakPolarHBondContact OD2-CA 3.44Å; D144-N147 PolarHBondContact OD2-N 3.49Å; F145-N147 PolarHBondContact O-ND2 3.32Å; N147-G149 VanDerWaalsContact C-N 3.26Å; N147-G149 PolarHBondContact O-N 3.16Å |
| 148 | N | 80.2 | Confident | 82.4 | Confident | 91 Ų | 91 | 89.1 Ų | 89.1 | 49% | 0.487 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -76.7 | -8 | 174.6 | -106.7 | -53.4 | 0 | 0 | 0 | 114 | D144 D146 K150 | D144-N148 PolarHBondContact OD2-N 3.19Å; D146-N148 VanDerWaalsContact C-N 3.25Å; D146-N148 PolarHBondContact O-N 3.12Å; D146-N148 WeakPolarHBondContact OD1-CB 3.2Å; D146-N148 PolarHBondContact OD1-N 3.35Å; D146-N148 WeakPolarHBondContact OD2-CB 3.41Å; D146-N148 PolarHBondContact OD2-ND2 3.34Å; N148-K150 VanDerWaalsContact C-N 3.25Å; N148-K150 HydrophobicContact CB-CD 4.22Å; N148-K150 HydrophobicContact CB-CG 4.1Å; N148-K150 PolarHBondContact O-N 3.07Å; N148-K150 PolarHBondContact OD1-NZ 3.17Å |
| 149 | G | 77.4 | Confident | 83.4 | Confident | 45 Ų | 45 | 84 Ų | 84 | 46% | 0.464 | 43% | 0.433 | S | S | . | . | S | Bend | trans | 67.8 | 22.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | D144 N147 | D144-G149 PolarHBondContact OD1-N 3.21Å; D144-G149 WeakPolarHBondContact OD2-CA 3.39Å; D144-G149 PolarHBondContact OD2-N 3.28Å; N147-G149 VanDerWaalsContact C-N 3.26Å; N147-G149 PolarHBondContact O-N 3.16Å |
| 150 | K | 80.5 | Confident | 84.1 | Confident | 113 Ų | 113 | 82.9 Ų | 82.9 | 49% | 0.491 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -156 | 117 | -176.5 | 76.5 | -150.5 | 179.6 | -139.8 | 0 | 110.7 | D144 N148 T152 | D144-K150 PolarHBondContact OD1-N 3.33Å; N148-K150 VanDerWaalsContact C-N 3.25Å; N148-K150 HydrophobicContact CB-CD 4.22Å; N148-K150 HydrophobicContact CB-CG 4.1Å; N148-K150 PolarHBondContact O-N 3.07Å; N148-K150 PolarHBondContact OD1-NZ 3.17Å; K150-T152 PolarHBondContact O-N 3.29Å |
| 151 | V | 84.8 | Confident | 84.9 | Confident | 36 Ų | 36 | 85.3 Ų | 85.3 | 22% | 0.218 | 44% | 0.435 | C | S | . | . | | | trans | -67.7 | 126.2 | 163.9 | 173.7 | 0 | 0 | 0 | 0 | 108.6 | L142 D155 I156 V187 | L142-V151 HydrophobicContact CD2-CG1 3.54Å; L142-V151 HydrophobicContact CD2-CG2 4.41Å; L142-V151 HydrophobicContact CG-CG1 4.22Å; L142-V151 HydrophobicContact CG-CG2 4.2Å; V151-D155 HydrophobicContact CG1-CB 4.19Å; V151-I156 HydrophobicContact CG1-CD1 3.85Å; V151-I156 HydrophobicContact CG1-CG1 3.56Å; V151-V187 HydrophobicContact CB-CG1 4.3Å; V151-V187 HydrophobicContact CG2-CG1 3.84Å; V151-V187 HydrophobicContact CG2-CG2 4.49Å |
| 152 | T | 87.6 | Confident | 85.4 | Confident | 40 Ų | 40 | 86 Ų | 86 | 25% | 0.245 | 44% | 0.439 | C | S | . | . | | | trans | -82 | 167.7 | 178.5 | 72.2 | 0 | 0 | 0 | 0 | 111.8 | K150 E154 D155 I156 | K150-T152 PolarHBondContact O-N 3.29Å; T152-E154 WeakPolarHBondContact CB-OE2 3.43Å; T152-E154 PolarHBondContact O-N 3.41Å; T152-E154 PolarHBondContact OG1-N 2.96Å; T152-D155 VanDerWaalsContact CB-OD2 3.29Å; T152-D155 WeakPolarHBondContact CB-OD2 3.09Å; T152-D155 WeakPolarHBondContact CG2-OD2 3.11Å; T152-D155 PolarHBondContact N-OD2 3.46Å; T152-D155 PolarHBondContact OG1-N 3.34Å; T152-D155 VanDerWaalsContact OG1-N 3.11Å; T152-D155 PolarHBondContact OG1-OD2 2.78Å; T152-I156 WeakPolarHBondContact O-CG1 3.07Å; T152-I156 PolarHBondContact O-N 3.43Å |
| 153 | R | 90.2 | Very high | 85.8 | Confident | 176 Ų | 176 | 86 Ų | 86 | 66% | 0.664 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -63.2 | -38.2 | 172.1 | 170.4 | -174.7 | -64.6 | -89.7 | -3.1 | 109.7 | I156 T157 | R153-I156 PolarHBondContact O-N 2.78Å; R153-T157 HydrophobicContact CG-CG2 4.36Å; R153-T157 WeakPolarHBondContact O-CG2 3.49Å; R153-T157 PolarHBondContact O-N 3.08Å; R153-T157 PolarHBondContact O-OG1 3.41Å |
| 154 | E | 91.9 | Very high | 86.2 | Confident | 114 Ų | 114 | 86.7 Ų | 86.7 | 53% | 0.533 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.6 | -46.8 | -175.6 | -65.5 | 58.7 | -135.2 | 0 | 0 | 109.5 | T152 I156 T157 S158 | T152-E154 WeakPolarHBondContact CB-OE2 3.43Å; T152-E154 PolarHBondContact O-N 3.41Å; T152-E154 PolarHBondContact OG1-N 2.96Å; E154-I156 PolarHBondContact O-N 3.39Å; E154-T157 WeakPolarHBondContact CA-OG1 3.02Å; E154-T157 PolarHBondContact O-N 3.44Å; E154-T157 PolarHBondContact O-OG1 3.45Å; E154-S158 PolarHBondContact O-N 3.25Å; E154-S158 PolarHBondContact O-OG 2.92Å; E154-S158 VanDerWaalsContact O-OG 3.1Å |
| 155 | D | 88.1 | Confident | 86.6 | Confident | 69 Ų | 69 | 90.1 Ų | 90.1 | 37% | 0.369 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -58.3 | -45.9 | 174.4 | -56.6 | -51.2 | 0 | 0 | 0 | 112.5 | L142 V151 T152 S158 L159 | L142-D155 HydrophobicContact CD2-CB 4.39Å; V151-D155 HydrophobicContact CG1-CB 4.19Å; T152-D155 VanDerWaalsContact CB-OD2 3.29Å; T152-D155 WeakPolarHBondContact CB-OD2 3.09Å; T152-D155 WeakPolarHBondContact CG2-OD2 3.11Å; T152-D155 PolarHBondContact N-OD2 3.46Å; T152-D155 PolarHBondContact OG1-N 3.34Å; T152-D155 VanDerWaalsContact OG1-N 3.11Å; T152-D155 PolarHBondContact OG1-OD2 2.78Å; D155-S158 PolarHBondContact O-N 2.69Å; D155-L159 WeakPolarHBondContact O-CB 3.21Å; D155-L159 PolarHBondContact O-N 2.85Å |
| 156 | I | 90.5 | Very high | 87.2 | Confident | 51 Ų | 51 | 86.1 Ų | 86.1 | 26% | 0.262 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 178 | -65.2 | 169.4 | 0 | 0 | 0 | 110.1 | L142 V151 T152 R153 E154 L159 L160 L185 | L142-I156 HydrophobicContact CD2-CG1 4.21Å; V151-I156 HydrophobicContact CG1-CD1 3.85Å; V151-I156 HydrophobicContact CG1-CG1 3.56Å; T152-I156 WeakPolarHBondContact O-CG1 3.07Å; T152-I156 PolarHBondContact O-N 3.43Å; R153-I156 PolarHBondContact O-N 2.78Å; E154-I156 PolarHBondContact O-N 3.39Å; I156-L159 PolarHBondContact O-N 2.57Å; I156-L160 HydrophobicContact CG2-CD1 3.92Å; I156-L160 HydrophobicContact CG2-CG 4.44Å; I156-L160 WeakPolarHBondContact O-CB 3.24Å; I156-L160 VanDerWaalsContact O-CG 3.29Å; I156-L160 WeakPolarHBondContact O-CG 2.92Å; I156-L160 PolarHBondContact O-N 2.87Å; I156-L185 HydrophobicContact CG1-CD2 4.26Å; I156-L185 HydrophobicContact CG2-CD2 3.85Å |
| 157 | T | 90.4 | Very high | 87.3 | Confident | 75 Ų | 75 | 84.1 Ų | 84.1 | 46% | 0.46 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.4 | -35.4 | 177.2 | 53.2 | 0 | 0 | 0 | 0 | 112.8 | R153 E154 H161 | R153-T157 HydrophobicContact CG-CG2 4.36Å; R153-T157 WeakPolarHBondContact O-CG2 3.49Å; R153-T157 PolarHBondContact O-N 3.08Å; R153-T157 PolarHBondContact O-OG1 3.41Å; E154-T157 WeakPolarHBondContact CA-OG1 3.02Å; E154-T157 PolarHBondContact O-N 3.44Å; E154-T157 PolarHBondContact O-OG1 3.45Å; T157-H161 VanDerWaalsContact O-CB 3.29Å; T157-H161 WeakPolarHBondContact O-CB 3.48Å; T157-H161 PolarHBondContact O-N 3.36Å |
| 158 | S | 90.4 | Very high | 87.5 | Confident | 73 Ų | 73 | 82.1 Ų | 82.1 | 51% | 0.51 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66.1 | -46.8 | 174.5 | -64.6 | 0 | 0 | 0 | 0 | 111.5 | E154 D155 L160 H161 T162 | E154-S158 PolarHBondContact O-N 3.25Å; E154-S158 PolarHBondContact O-OG 2.92Å; E154-S158 VanDerWaalsContact O-OG 3.1Å; D155-S158 PolarHBondContact O-N 2.69Å; S158-L160 PolarHBondContact O-N 3.17Å; S158-H161 PolarHBondContact O-N 3.26Å; S158-T162 PolarHBondContact O-N 3.42Å; S158-T162 PolarHBondContact O-OG1 3.02Å |
| 159 | L | 89.9 | Confident | 87.6 | Confident | 43 Ų | 43 | 82.4 Ų | 82.4 | 23% | 0.225 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -58.9 | -47.4 | 175.2 | 176 | 60.7 | 0 | 0 | 0 | 111.5 | L142 D155 I156 T162 I163 L185 | L142-L159 HydrophobicContact CB-CD2 4.27Å; L142-L159 HydrophobicContact CD1-CD2 4.39Å; L142-L159 HydrophobicContact CD2-CD2 4.01Å; L142-L159 HydrophobicContact CG-CD2 4.47Å; D155-L159 WeakPolarHBondContact O-CB 3.21Å; D155-L159 PolarHBondContact O-N 2.85Å; I156-L159 PolarHBondContact O-N 2.57Å; L159-T162 PolarHBondContact O-N 2.99Å; L159-I163 HydrophobicContact CD1-CD1 3.9Å; L159-I163 HydrophobicContact CD1-CG1 4.3Å; L159-I163 HydrophobicContact CG-CD1 3.91Å; L159-I163 VanDerWaalsContact O-CG1 3.3Å; L159-I163 WeakPolarHBondContact O-CG1 3.43Å; L159-I163 PolarHBondContact O-N 3.16Å; L159-L185 HydrophobicContact CD2-CD1 3.64Å |
| 160 | L | 90.4 | Very high | 87.2 | Confident | 57 Ų | 57 | 83.9 Ų | 83.9 | 30% | 0.298 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63 | -42.1 | 177.5 | -72.7 | 172.7 | 0 | 0 | 0 | 111.9 | I156 S158 T162 I163 Y164 | I156-L160 HydrophobicContact CG2-CD1 3.92Å; I156-L160 HydrophobicContact CG2-CG 4.44Å; I156-L160 WeakPolarHBondContact O-CB 3.24Å; I156-L160 VanDerWaalsContact O-CG 3.29Å; I156-L160 WeakPolarHBondContact O-CG 2.92Å; I156-L160 PolarHBondContact O-N 2.87Å; S158-L160 PolarHBondContact O-N 3.17Å; L160-T162 PolarHBondContact O-N 3.47Å; L160-I163 PolarHBondContact O-N 2.77Å; L160-Y164 HydrophobicContact CB-CD2 4.43Å; L160-Y164 HydrophobicContact CB-CE2 4.32Å; L160-Y164 WeakPolarHBondContact O-CD2 3.45Å; L160-Y164 PolarHBondContact O-N 3.36Å |
| 161 | H | 91.6 | Very high | 86.8 | Confident | 123 Ų | 123 | 80.6 Ų | 80.6 | 57% | 0.569 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -59.9 | -45.4 | 176.2 | -171.1 | -61.7 | 0 | 0 | 0 | 111.7 | T157 S158 I163 Y164 E165 | T157-H161 VanDerWaalsContact O-CB 3.29Å; T157-H161 WeakPolarHBondContact O-CB 3.48Å; T157-H161 PolarHBondContact O-N 3.36Å; S158-H161 PolarHBondContact O-N 3.26Å; H161-I163 PolarHBondContact O-N 3.21Å; H161-Y164 PolarHBondContact O-N 3.38Å; H161-E165 IonicContact CE1-OE2 3.19Å; H161-E165 IonicContact ND1-OE2 2.72Å; H161-E165 WeakPolarHBondContact O-CB 3.21Å; H161-E165 PolarHBondContact O-N 2.99Å |
| 162 | T | 92.5 | Very high | 85.7 | Confident | 81 Ų | 81 | 85.4 Ų | 85.4 | 50% | 0.497 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.3 | -40.4 | 175.7 | -56.3 | 0 | 0 | 0 | 0 | 111.9 | S158 L159 L160 V166 | S158-T162 PolarHBondContact O-N 3.42Å; S158-T162 PolarHBondContact O-OG1 3.02Å; L159-T162 PolarHBondContact O-N 2.99Å; L160-T162 PolarHBondContact O-N 3.47Å; T162-V166 HydrophobicContact CG2-CG2 4.48Å; T162-V166 WeakPolarHBondContact O-CB 3.49Å; T162-V166 VanDerWaalsContact O-CG2 3.31Å; T162-V166 WeakPolarHBondContact O-CG2 3.48Å; T162-V166 PolarHBondContact O-N 2.91Å |
| 163 | I | 88.3 | Confident | 84.3 | Confident | 21 Ų | 21 | 90.2 Ų | 90.2 | 11% | 0.108 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -63.1 | -46.3 | 175.5 | -69.5 | 166.9 | 0 | 0 | 0 | 110.5 | F140 L159 L160 H161 V166 V167 V183 | F140-I163 HydrophobicContact CD1-CD1 4.49Å; F140-I163 HydrophobicContact CD2-CD1 3.88Å; F140-I163 HydrophobicContact CE1-CD1 4.46Å; F140-I163 HydrophobicContact CE2-CD1 3.85Å; F140-I163 HydrophobicContact CE2-CG1 4.37Å; F140-I163 HydrophobicContact CG-CD1 4.21Å; F140-I163 HydrophobicContact CZ-CD1 4.15Å; F140-I163 HydrophobicContact CZ-CG1 4.27Å; L159-I163 HydrophobicContact CD1-CD1 3.9Å; L159-I163 HydrophobicContact CD1-CG1 4.3Å; L159-I163 HydrophobicContact CG-CD1 3.91Å; L159-I163 VanDerWaalsContact O-CG1 3.3Å; L159-I163 WeakPolarHBondContact O-CG1 3.43Å; L159-I163 PolarHBondContact O-N 3.16Å; L160-I163 PolarHBondContact O-N 2.77Å; H161-I163 PolarHBondContact O-N 3.21Å; I163-V166 PolarHBondContact O-N 3.32Å; I163-V167 HydrophobicContact CG2-CG2 4.21Å; I163-V167 VanDerWaalsContact O-CB 3.29Å; I163-V167 WeakPolarHBondContact O-CB 3.44Å; I163-V167 WeakPolarHBondContact O-CG2 3.36Å; I163-V167 PolarHBondContact O-N 3.28Å; I163-V183 HydrophobicContact CD1-CG1 4.2Å; I163-V183 HydrophobicContact CG2-CG2 4.11Å |
| 164 | Y | 87.5 | Confident | 82.5 | Confident | 163 Ų | 163 | 85 Ų | 85 | 64% | 0.639 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -61.6 | -46.1 | 177.7 | -77.9 | -61.5 | 0 | 0 | 0 | 112.2 | L160 H161 V166 V167 D168 | L160-Y164 HydrophobicContact CB-CD2 4.43Å; L160-Y164 HydrophobicContact CB-CE2 4.32Å; L160-Y164 WeakPolarHBondContact O-CD2 3.45Å; L160-Y164 PolarHBondContact O-N 3.36Å; H161-Y164 PolarHBondContact O-N 3.38Å; Y164-V166 PolarHBondContact O-N 3.43Å; Y164-V167 PolarHBondContact O-N 3.4Å; Y164-D168 VanDerWaalsContact O-CB 3.24Å; Y164-D168 WeakPolarHBondContact O-CB 3.45Å; Y164-D168 PolarHBondContact O-N 3.11Å |
| 165 | E | 90.6 | Very high | 80.8 | Confident | 122 Ų | 122 | 86 Ų | 86 | 57% | 0.57 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -61.7 | -41.2 | 179.1 | -173.9 | 179.7 | 165.1 | 0 | 0 | 112.6 | H161 S169 | H161-E165 IonicContact CE1-OE2 3.19Å; H161-E165 IonicContact ND1-OE2 2.72Å; H161-E165 WeakPolarHBondContact O-CB 3.21Å; H161-E165 PolarHBondContact O-N 2.99Å; E165-S169 WeakPolarHBondContact O-CB 3.29Å; E165-S169 PolarHBondContact O-N 3.1Å; E165-S169 VanDerWaalsContact O-N 3.15Å; E165-S169 PolarHBondContact O-OG 2.94Å |
| 166 | V | 88.6 | Confident | 78.8 | Confident | 85 Ų | 85 | 89.1 Ų | 89.1 | 52% | 0.515 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -72.7 | -34.9 | 176.5 | 173.6 | 0 | 0 | 0 | 0 | 111.9 | T162 I163 Y164 S169 S170 | T162-V166 HydrophobicContact CG2-CG2 4.48Å; T162-V166 WeakPolarHBondContact O-CB 3.49Å; T162-V166 VanDerWaalsContact O-CG2 3.31Å; T162-V166 WeakPolarHBondContact O-CG2 3.48Å; T162-V166 PolarHBondContact O-N 2.91Å; I163-V166 PolarHBondContact O-N 3.32Å; Y164-V166 PolarHBondContact O-N 3.43Å; V166-S169 PolarHBondContact O-OG 3.39Å; V166-S170 VanDerWaalsContact O-CB 3.23Å; V166-S170 WeakPolarHBondContact O-CB 3.49Å; V166-S170 PolarHBondContact O-N 3.19Å; V166-S170 VanDerWaalsContact O-N 3.16Å; V166-S170 PolarHBondContact O-OG 3.02Å |
| 167 | V | 84.3 | Confident | 77 | Confident | 45 Ų | 45 | 89.1 Ų | 89.1 | 27% | 0.273 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.9 | -46.4 | 175.8 | 165.7 | 0 | 0 | 0 | 0 | 111.2 | I163 Y164 S169 S170 V171 L181 | I163-V167 HydrophobicContact CG2-CG2 4.21Å; I163-V167 VanDerWaalsContact O-CB 3.29Å; I163-V167 WeakPolarHBondContact O-CB 3.44Å; I163-V167 WeakPolarHBondContact O-CG2 3.36Å; I163-V167 PolarHBondContact O-N 3.28Å; Y164-V167 PolarHBondContact O-N 3.4Å; V167-S169 VanDerWaalsContact C-N 3.34Å; V167-S169 PolarHBondContact O-N 3Å; V167-S170 PolarHBondContact O-N 3.48Å; V167-S170 PolarHBondContact O-OG 3.14Å; V167-V171 HydrophobicContact CG1-CG2 4Å; V167-V171 WeakPolarHBondContact O-CB 3.41Å; V167-V171 WeakPolarHBondContact O-CG2 3.42Å; V167-V171 PolarHBondContact O-N 3.41Å; V167-L181 HydrophobicContact CB-CD1 4.37Å; V167-L181 HydrophobicContact CG1-CD1 3.74Å; V167-L181 HydrophobicContact CG2-CD1 3.64Å |
| 168 | D | 82.4 | Confident | 75.4 | Confident | 102 Ų | 102 | 91.2 Ų | 91.2 | 55% | 0.545 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -57.9 | -47.4 | 178.2 | -166 | 68.8 | 0 | 0 | 0 | 110.6 | Y164 S170 H173 | Y164-D168 VanDerWaalsContact O-CB 3.24Å; Y164-D168 WeakPolarHBondContact O-CB 3.45Å; Y164-D168 PolarHBondContact O-N 3.11Å; D168-S170 PolarHBondContact O-N 2.99Å; D168-H173 PolarHBondContact O-CE1 3.39Å; D168-H173 VanDerWaalsContact O-CE1 3.24Å; D168-H173 PolarHBondContact O-NE2 3.44Å; D168-H173 IonicContact OD1-CE1 3.55Å; D168-H173 PolarHBondContact OD1-CE1 3.34Å; D168-H173 VanDerWaalsContact OD1-CE1 3.28Å; D168-H173 IonicContact OD1-NE2 2.72Å |
| 169 | S | 80.8 | Confident | 74 | Confident | 97 Ų | 97 | 95 Ų | 95 | 68% | 0.678 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -74.5 | -14.4 | 179.1 | 57.8 | 0 | 0 | 0 | 0 | 115.8 | E165 V166 V167 | E165-S169 WeakPolarHBondContact O-CB 3.29Å; E165-S169 PolarHBondContact O-N 3.1Å; E165-S169 VanDerWaalsContact O-N 3.15Å; E165-S169 PolarHBondContact O-OG 2.94Å; V166-S169 PolarHBondContact O-OG 3.39Å; V167-S169 VanDerWaalsContact C-N 3.34Å; V167-S169 PolarHBondContact O-N 3Å |
| 170 | S | 70.9 | Confident | 72.6 | Confident | 76 Ų | 76 | 101 Ų | 101 | 53% | 0.531 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -109.6 | -24.4 | -179.1 | 63.9 | 0 | 0 | 0 | 0 | 114.7 | V166 V167 D168 N172 | V166-S170 VanDerWaalsContact O-CB 3.23Å; V166-S170 WeakPolarHBondContact O-CB 3.49Å; V166-S170 PolarHBondContact O-N 3.19Å; V166-S170 VanDerWaalsContact O-N 3.16Å; V166-S170 PolarHBondContact O-OG 3.02Å; V167-S170 PolarHBondContact O-N 3.48Å; V167-S170 PolarHBondContact O-OG 3.14Å; D168-S170 PolarHBondContact O-N 2.99Å; S170-N172 PolarHBondContact O-N 3.23Å |
| 171 | V | 71.9 | Confident | 71.6 | Confident | 43 Ų | 43 | 101 Ų | 101 | 26% | 0.261 | 56% | 0.558 | S | S | . | * | S | Bend | trans | -89.8 | 96.8 | 176.4 | -179.4 | 0 | 0 | 0 | 0 | 109.7 | V167 H173 L181 | V167-V171 HydrophobicContact CG1-CG2 4Å; V167-V171 WeakPolarHBondContact O-CB 3.41Å; V167-V171 WeakPolarHBondContact O-CG2 3.42Å; V167-V171 PolarHBondContact O-N 3.41Å; V171-H173 PolarHBondContact O-N 2.72Å; V171-L181 HydrophobicContact CG2-CD1 4.41Å |
| 172 | N | 61.4 | Low | 70.5 | Confident | 138 Ų | 138 | 99.9 Ų | 99.9 | 74% | 0.738 | 55% | 0.549 | S | S | * | . | | | trans | -42.5 | 111.6 | 174.1 | -71.3 | -94.3 | 0 | 0 | 0 | 112.2 | S170 S174 | S170-N172 PolarHBondContact O-N 3.23Å; N172-S174 PolarHBondContact O-N 3.44Å |
| 173 | H | 56.9 | Low | 69.4 | Low | 140 Ų | 140 | 98.9 Ų | 98.9 | 65% | 0.648 | 54% | 0.543 | S | S | * | . | | | trans | -70.8 | 61.9 | -178.3 | -47.2 | -70.9 | 0 | 0 | 0 | 113.5 | D168 V171 P175 | D168-H173 PolarHBondContact O-CE1 3.39Å; D168-H173 VanDerWaalsContact O-CE1 3.24Å; D168-H173 PolarHBondContact O-NE2 3.44Å; D168-H173 IonicContact OD1-CE1 3.55Å; D168-H173 PolarHBondContact OD1-CE1 3.34Å; D168-H173 VanDerWaalsContact OD1-CE1 3.28Å; D168-H173 IonicContact OD1-NE2 2.72Å; V171-H173 PolarHBondContact O-N 2.72Å; H173-P175 WeakPolarHBondContact O-CD 3.45Å |
| 174 | S | 53.3 | Low | 68.7 | Low | 68 Ų | 68 | 103.8 Ų | 103.8 | 48% | 0.476 | 56% | 0.564 | S | S | . | * | | | trans | -75.3 | 118 | 166.1 | -66.6 | 0 | 0 | 0 | 0 | 108.3 | N172 T176 S177 | N172-S174 PolarHBondContact O-N 3.44Å; S174-T176 PolarHBondContact O-N 2.69Å; S174-S177 PolarHBondContact O-N 2.86Å; S174-S177 VanDerWaalsContact O-N 3.12Å |
| 175 | P | 55.4 | Low | 68.2 | Low | 134 Ų | 134 | 98.5 Ų | 98.5 | 87% | 0.87 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | 27.9 | -175.4 | 32.2 | -37.8 | 0 | 0 | 0 | 113.5 | H173 | H173-P175 WeakPolarHBondContact O-CD 3.45Š|
| 176 | T | 46 | Very low | 67.4 | Low | 135 Ų | 135 | 95.6 Ų | 95.6 | 83% | 0.828 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140 | -1.5 | -177.6 | -35.3 | 0 | 0 | 0 | 0 | 111.6 | S174 | S174-T176 PolarHBondContact O-N 2.69Š|
| 177 | S | 53.8 | Low | 66.5 | Low | 50 Ų | 50 | 94.7 Ų | 94.7 | 35% | 0.35 | 53% | 0.531 | S | S | . | . | | | trans | -127.7 | 78.1 | 177.7 | 66.8 | 0 | 0 | 0 | 0 | 111.9 | S174 K179 | S174-S177 PolarHBondContact O-N 2.86Å; S174-S177 VanDerWaalsContact O-N 3.12Å; S177-K179 VanDerWaalsContact C-N 3.29Å; S177-K179 PolarHBondContact O-N 3.19Å |
| 178 | S | 55.7 | Low | 65.4 | Low | 120 Ų | 120 | 95.4 Ų | 95.4 | 84% | 0.839 | 54% | 0.542 | S | S | * | . | | | trans | -69.7 | 78.1 | 176 | -54.3 | 0 | 0 | 0 | 0 | 111.9 | M180 | S178-M180 PolarHBondContact O-N 3.15Š|
| 179 | K | 62 | Low | 64.1 | Low | 151 Ų | 151 | 96.5 Ų | 96.5 | 66% | 0.657 | 56% | 0.555 | S | S | * | * | | | trans | -79.9 | 101 | 176.4 | -66.7 | -177.6 | -180 | -177.8 | 0 | 110.3 | S177 | S177-K179 VanDerWaalsContact C-N 3.29Å; S177-K179 PolarHBondContact O-N 3.19Å |
| 180 | M | 61.4 | Low | 62.5 | Low | 170 Ų | 170 | 96 Ų | 96 | 84% | 0.837 | 54% | 0.541 | S | S | * | . | | | trans | -79.7 | 120.8 | 172.3 | -63.8 | -169.6 | -67.2 | 0 | 0 | 110.4 | S178 | S178-M180 PolarHBondContact O-N 3.15Š|
| 181 | L | 67.6 | Low | 61.4 | Low | 57 Ų | 57 | 95.9 Ų | 95.9 | 30% | 0.298 | 55% | 0.552 | S | S | . | * | | | trans | -91.7 | 128.5 | 172 | -62.1 | -178.9 | 0 | 0 | 0 | 109.9 | Q136 V167 V171 V183 | Q136-L181 HydrophobicContact CB-CD2 4.49Å; V167-L181 HydrophobicContact CB-CD1 4.37Å; V167-L181 HydrophobicContact CG1-CD1 3.74Å; V167-L181 HydrophobicContact CG2-CD1 3.64Å; V171-L181 HydrophobicContact CG2-CD1 4.41Å; L181-V183 PolarHBondContact O-N 3.37Å |
| 182 | R | 69.2 | Low | 60.5 | Low | 99 Ų | 99 | 97.8 Ų | 97.8 | 37% | 0.374 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.9 | 105.5 | 171.6 | -65.2 | -177.9 | 82.7 | -151.9 | 14.3 | 108.9 | E137 W138 | E137-R182 WeakPolarHBondContact OE1-CD 3.31Å; E137-R182 IonicContact OE1-CZ 3.92Å; E137-R182 IonicContact OE1-NE 3.49Å; E137-R182 IonicContact OE1-NH1 3.17Å; E137-R182 PolarHBondContact OE1-NH1 3.47Å; W138-R182 PolarHBondContact N-O 3.31Å |
| 183 | V | 69.6 | Low | 59.9 | Low | 61 Ų | 61 | 99 Ų | 99 | 37% | 0.37 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.8 | 113.2 | 173.2 | -179.3 | 0 | 0 | 0 | 0 | 108.2 | F140 I163 L181 | F140-V183 HydrophobicContact CD2-CG1 4.09Å; F140-V183 HydrophobicContact CE2-CG1 4.35Å; I163-V183 HydrophobicContact CD1-CG1 4.2Å; I163-V183 HydrophobicContact CG2-CG2 4.11Å; L181-V183 PolarHBondContact O-N 3.37Å |
| 184 | K | 74.6 | Confident | 59.1 | Low | 124 Ų | 124 | 96.8 Ų | 96.8 | 54% | 0.539 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.5 | 105 | 171.5 | -167.3 | -177.9 | 69.5 | -178.8 | 0 | 109.6 | W138 T139 F140 | W138-K184 PolarHBondContact O-N 3.41Å; W138-K184 VanDerWaalsContact O-N 3.12Å; T139-K184 WeakPolarHBondContact CA-O 3.27Å; F140-K184 PolarHBondContact N-O 3.48Å |
| 185 | L | 77.2 | Confident | 59 | Low | 52 Ų | 52 | 101.9 Ų | 101.9 | 27% | 0.272 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80 | 136.8 | 168.2 | -178.8 | 58.2 | 0 | 0 | 0 | 109.3 | F140 L142 I156 L159 | F140-L185 HydrophobicContact CB-CD1 4.48Å; L142-L185 HydrophobicContact CB-CD1 3.96Å; I156-L185 HydrophobicContact CG1-CD2 4.26Å; I156-L185 HydrophobicContact CG2-CD2 3.85Å; L159-L185 HydrophobicContact CD2-CD1 3.64Å |
| 186 | T | 73.6 | Confident | 58.9 | Low | 60 Ų | 60 | 107.3 Ų | 107.3 | 37% | 0.368 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -132.3 | 123.4 | 170.5 | -59.4 | 0 | 0 | 0 | 0 | 109.1 | F140 T141 L142 | F140-T186 PolarHBondContact O-N 2.99Å; T141-T186 WeakPolarHBondContact CA-O 3.3Å; L142-T186 PolarHBondContact N-O 2.92Å |
| 187 | V | 69.4 | Low | 58.5 | Low | 66 Ų | 66 | 105.4 Ų | 105.4 | 40% | 0.4 | 58% | 0.578 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.9 | 132.9 | 171 | 179.4 | 0 | 0 | 0 | 0 | 107.3 | V151 P189 | V151-V187 HydrophobicContact CB-CG1 4.3Å; V151-V187 HydrophobicContact CG2-CG1 3.84Å; V151-V187 HydrophobicContact CG2-CG2 4.49Å; V187-P189 WeakPolarHBondContact O-CD 3.4Å |
| 188 | A | 61.4 | Low | 58.2 | Low | 61 Ų | 61 | 109.9 Ų | 109.9 | 50% | 0.504 | 60% | 0.597 | S | S | . | * | P | Polyproline II helix | trans | -66.5 | 123.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | E190 | A188-E190 PolarHBondContact O-N 3.1Š|
| 189 | P | 55.1 | Low | 57.7 | Low | 125 Ų | 125 | 112.1 Ų | 112.1 | 81% | 0.812 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 127.4 | -179.4 | 28.1 | -33.5 | 0 | 0 | 0 | 110.8 | V187 G191 | V187-P189 WeakPolarHBondContact O-CD 3.4Å; P189-G191 PolarHBondContact O-N 3.05Å |
| 190 | E | 46.7 | Very low | 57 | Low | 85 Ų | 85 | 111.3 Ų | 111.3 | 40% | 0.397 | 61% | 0.605 | S | S | . | * | P | Polyproline II helix | trans | -62.6 | 128.1 | -177.3 | -131.3 | -67.5 | 83.2 | 0 | 0 | 111.7 | A188 S192 | A188-E190 PolarHBondContact O-N 3.1Å; E190-S192 PolarHBondContact O-N 2.95Å; E190-S192 WeakPolarHBondContact OE2-CB 3.29Å |
| 191 | G | 48.3 | Very low | 56 | Low | 74 Ų | 74 | 111.2 Ų | 111.2 | 76% | 0.763 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | 17.6 | -168.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | P189 | P189-G191 PolarHBondContact O-N 3.05Š|
| 192 | S | 51.6 | Low | 54.9 | Low | 83 Ų | 83 | 117.9 Ų | 117.9 | 58% | 0.58 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.7 | -11.4 | -155.5 | -164.8 | 0 | 0 | 0 | 0 | 114.4 | E190 | E190-S192 PolarHBondContact O-N 2.95Å; E190-S192 WeakPolarHBondContact OE2-CB 3.29Å |
| 193 | Q | 48.8 | Very low | 53.3 | Low | 165 Ų | 165 | 118.3 Ų | 118.3 | 77% | 0.771 | 66% | 0.663 | S | S | * | * | | | trans | -105.1 | 27.4 | -162 | -63.6 | -70.9 | -14.6 | 0 | 0 | 116.1 | | |
| 194 | S | 41 | Very low | 51.7 | Low | 92 Ų | 92 | 122.6 Ų | 122.6 | 64% | 0.643 | 68% | 0.683 | S | S | * | * | | | trans | -144.6 | 73.1 | 179 | -161 | 0 | 0 | 0 | 0 | 116.5 | | |
| 195 | K | 50.8 | Low | 50.3 | Low | 176 Ų | 176 | 124.3 Ų | 124.3 | 77% | 0.765 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -139.3 | 17.5 | 158.4 | -77.3 | -169.2 | 177.1 | 171.2 | 0 | 113.9 | | |
| 196 | R | 53.5 | Low | 48.3 | Very low | 247 Ų | 247 | 131.1 Ų | 131.1 | 93% | 0.932 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -139.5 | 19.2 | -176.5 | -69.1 | -162.5 | -71.2 | 172.9 | -3.5 | 116 | | |
| 197 | S | 37.4 | Very low | 46.3 | Very low | 95 Ų | 95 | 133.1 Ų | 133.1 | 66% | 0.664 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -114 | 22.5 | -179.9 | 50.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 198 | I | 46.4 | Very low | 44.5 | Very low | 145 Ų | 145 | 135.9 Ų | 135.9 | 74% | 0.744 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -125 | 149.6 | 174.9 | -54 | 176.9 | 0 | 0 | 0 | 107.3 | | |
| 199 | L | 46.3 | Very low | 43.4 | Very low | 167 Ų | 167 | 144.7 Ų | 144.7 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | S | Bend | trans | 85.4 | 12.1 | -177.8 | -48.9 | -179.4 | 0 | 0 | 0 | 118.3 | | |
| 200 | V | 48.1 | Very low | 42.8 | Very low | 133 Ų | 133 | 144.8 Ų | 144.8 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -133.3 | 76.4 | 163.8 | -172.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 201 | N | 40.3 | Very low | 42.1 | Very low | 168 Ų | 168 | 151.4 Ų | 151.4 | 90% | 0.898 | 80% | 0.804 | S | S | * | * | S | Bend | trans | 177.9 | 61.1 | 158.9 | -96.8 | -37.6 | 0 | 0 | 0 | 111.9 | | |
| 202 | Q | 43.1 | Very low | 41.3 | Very low | 198 Ų | 198 | 152.6 Ų | 152.6 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -157.7 | 47.2 | 170.7 | -158.3 | 178.4 | 90.4 | 0 | 0 | 113.2 | | |
| 203 | A | 35.4 | Very low | 40.6 | Very low | 107 Ų | 107 | 156.3 Ų | 156.3 | 88% | 0.884 | 82% | 0.815 | S | S | * | * | | | trans | -155.3 | 35.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 204 | D | 36.2 | Very low | 39.8 | Very low | 151 Ų | 151 | 155.3 Ų | 155.3 | 81% | 0.807 | 82% | 0.82 | S | S | * | * | | | trans | -147 | 62 | 170.7 | -165 | 13.2 | 0 | 0 | 0 | 113.7 | | |
| 205 | L | 46 | Very low | 39.7 | Very low | 160 Ų | 160 | 160.3 Ų | 160.3 | 84% | 0.838 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -157 | 73.1 | 159.1 | -83 | -167.9 | 0 | 0 | 0 | 110.7 | | |
| 206 | Q | 35.4 | Very low | 39.2 | Very low | 196 Ų | 196 | 157.3 Ų | 157.3 | 92% | 0.916 | 83% | 0.829 | S | S | * | * | | | trans | 177.7 | 152.8 | 140.8 | -104.4 | 165.1 | 91.7 | 0 | 0 | 116 | | |
| 207 | S | 31.5 | Very low | 38.1 | Very low | 102 Ų | 102 | 150.6 Ų | 150.6 | 71% | 0.713 | 82% | 0.815 | S | S | * | * | | | trans | 67.8 | 95.3 | 155 | -151.8 | 0 | 0 | 0 | 0 | 120.1 | | |
| 208 | T | 31.4 | Very low | 38 | Very low | 123 Ų | 123 | 153.5 Ų | 153.5 | 76% | 0.755 | 82% | 0.818 | S | S | * | * | | | | 11.3 | 129.9 | 125.7 | 40.6 | 0 | 0 | 0 | 0 | 120 | | |
| 209 | R | 38.5 | Very low | 37.7 | Very low | 247 Ų | 247 | 155.4 Ų | 155.4 | 93% | 0.932 | 82% | 0.824 | S | S | * | * | | | trans | -42.7 | 148.4 | 163.4 | -72.4 | 177.8 | 168.3 | 170.9 | -3.5 | 113.1 | | |
| 210 | P | 42.2 | Very low | 37.1 | Very low | 127 Ų | 127 | 153.3 Ų | 153.3 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | | | | -129.9 | 159.2 | 97.3 | 37.3 | -31.3 | 0 | 0 | 0 | 116.1 | | |
| 211 | R | 32.5 | Very low | 36.4 | Very low | 224 Ų | 224 | 157.6 Ų | 157.6 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | | | trans | -65.5 | 134.4 | 175.3 | 161.7 | -162 | -178.9 | -168.7 | 3 | 113 | | |
| 212 | A | 31.7 | Very low | 36.1 | Very low | 99 Ų | 99 | 155.4 Ų | 155.4 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | | | trans | -154.3 | 150.8 | 149.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 213 | E | 35.6 | Very low | 35.3 | Very low | 161 Ų | 161 | 156.2 Ų | 156.2 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | | | trans | -102.5 | 147.2 | 174.5 | -65 | 168.5 | 76.4 | 0 | 0 | 109.7 | | |
| 214 | T | 32.9 | Very low | 35.1 | Very low | 144 Ų | 144 | 156.1 Ų | 156.1 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | | | trans | 174.7 | 137.9 | 134.9 | 26.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 215 | K | 37.9 | Very low | 35.1 | Very low | 197 Ų | 197 | 156.4 Ų | 156.4 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | | | trans | -120.8 | 170.1 | 142.6 | -70.8 | -172.9 | 177.8 | -177 | 0 | 104.9 | | |
| 216 | P | 41.8 | Very low | 34.8 | Very low | 113 Ų | 113 | 158.8 Ų | 158.8 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | | | cis | -144.1 | -155 | 20.4 | 30.5 | -2.7 | 0 | 0 | 0 | 114.3 | | |
| 217 | T | 29.3 | Very low | 35.2 | Very low | 106 Ų | 106 | 158.9 Ų | 158.9 | 65% | 0.65 | 79% | 0.787 | S | S | * | * | | | trans | 96.3 | 119.7 | 141.4 | -61.9 | 0 | 0 | 0 | 0 | 120.7 | | |
| 218 | E | 35.5 | Very low | 35.5 | Very low | 156 Ų | 156 | 165.8 Ų | 165.8 | 73% | 0.729 | 80% | 0.797 | S | S | * | * | | | trans | 54.3 | 164.5 | 154.5 | -68 | 175.6 | 107.4 | 0 | 0 | 118.7 | | |
| 219 | E | 39.1 | Very low | 35.5 | Very low | 185 Ų | 185 | 164.1 Ų | 164.1 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | | | cis | -121.3 | 158.3 | 9.2 | -52 | -170.3 | 117.9 | 0 | 0 | 110.5 | | |
| 220 | L | 34.7 | Very low | 36.1 | Very low | 123 Ų | 123 | 158.5 Ų | 158.5 | 64% | 0.644 | 79% | 0.791 | S | S | * | * | | | cis | 97.4 | 100.5 | 23.8 | -149.8 | 105.7 | 0 | 0 | 0 | 116.2 | | |
| 221 | R | 33.9 | Very low | 35.9 | Very low | 223 Ų | 223 | 158.9 Ų | 158.9 | 84% | 0.842 | 79% | 0.786 | S | S | * | * | | | trans | 81.5 | 122.9 | 163.7 | -54.2 | -170.2 | -65.4 | 165.8 | -3 | 121.7 | | |
| 222 | S | 33.5 | Very low | 36.4 | Very low | 122 Ų | 122 | 158 Ų | 158 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | | | | 176.6 | 80.1 | 127 | 33.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 223 | W | 25.8 | Very low | 37 | Very low | 214 Ų | 214 | 163.1 Ų | 163.1 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | | | | 67.4 | 88 | 84.3 | -164.9 | -108.9 | 0 | 0 | 0 | 117.4 | | |
| 224 | E | 31.4 | Very low | 37 | Very low | 105 Ų | 105 | 163.5 Ų | 163.5 | 49% | 0.491 | 79% | 0.788 | S | S | . | * | | | trans | 53.8 | 149.5 | 130.2 | -139.5 | -146.3 | 29.8 | 0 | 0 | 124 | | |
| 225 | K | 35.4 | Very low | 37 | Very low | 157 Ų | 157 | 160.4 Ų | 160.4 | 68% | 0.683 | 79% | 0.785 | S | S | * | * | | | trans | 76.7 | 86.8 | 146 | -112.7 | -169.5 | -155.6 | 77.1 | 0 | 119.4 | | |
| 226 | K | 41.3 | Very low | 36.9 | Very low | 211 Ų | 211 | 156.7 Ų | 156.7 | 92% | 0.917 | 78% | 0.775 | S | S | * | * | | | | -153.8 | 120 | 110.9 | -116.4 | 166.6 | -174.4 | 168.7 | 0 | 112.1 | | |
| 227 | Q | 43.7 | Very low | 37.1 | Very low | 198 Ų | 198 | 157 Ų | 157 | 93% | 0.925 | 78% | 0.779 | S | S | * | * | | | trans | -84 | 139.6 | 162.2 | -75.5 | -166.4 | -18.2 | 0 | 0 | 110 | | |
| 228 | R | 36.8 | Very low | 38 | Very low | 247 Ų | 247 | 163 Ų | 163 | 93% | 0.932 | 79% | 0.79 | S | S | * | * | | | trans | -143 | 155.3 | 148.7 | -150.3 | 165.8 | -168.5 | 159.8 | 5.7 | 109 | | |
| 229 | A | 32 | Very low | 38.4 | Very low | 87 Ų | 87 | 162.7 Ų | 162.7 | 72% | 0.719 | 79% | 0.793 | S | S | * | * | | | trans | -65.7 | 148.7 | -159.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 230 | P | 51 | Low | 38.7 | Very low | 129 Ų | 129 | 163.3 Ų | 163.3 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | | | trans | -80.1 | 123 | -179.7 | 31.9 | -33.8 | 0 | 0 | 0 | 111.8 | | |
| 231 | L | 37.7 | Very low | 39.1 | Very low | 136 Ų | 136 | 165.1 Ų | 165.1 | 71% | 0.712 | 80% | 0.801 | S | S | * | * | | | trans | -152.4 | 118.2 | 168 | -102.2 | 167.8 | 0 | 0 | 0 | 111.5 | | |
| 232 | R | 42.6 | Very low | 39.6 | Very low | 206 Ų | 206 | 158.7 Ų | 158.7 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | S | Bend | trans | 75.2 | 127 | 153 | -59.3 | -141.2 | 170.7 | 92.2 | 4.4 | 119.7 | | |
| 233 | F | 45.6 | Very low | 40.2 | Very low | 205 Ų | 205 | 154.9 Ų | 154.9 | 90% | 0.899 | 77% | 0.77 | S | S | * | * | | | trans | 57.4 | 82.1 | 157.4 | -76.5 | -98.7 | 0 | 0 | 0 | 118 | | |
| 234 | Q | 35.7 | Very low | 41.4 | Very low | 169 Ų | 169 | 149.8 Ų | 149.8 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | | | trans | -132.4 | 107 | 138.7 | -172.4 | 164.9 | 15.4 | 0 | 0 | 108.4 | D236 | Q234-D236 WeakPolarHBondContact CG-OD2 3.46Å; Q234-D236 PolarHBondContact NE2-OD2 3.23Å |
| 235 | G | 32.3 | Very low | 42.3 | Very low | 79 Ų | 79 | 153 Ų | 153 | 81% | 0.814 | 78% | 0.775 | S | S | * | * | | | trans | -126.2 | 88.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 236 | D | 35.2 | Very low | 43.2 | Very low | 120 Ų | 120 | 151.6 Ų | 151.6 | 64% | 0.642 | 77% | 0.77 | S | S | * | * | | | trans | -67.1 | 154.2 | -169.2 | -98.9 | -68.6 | 0 | 0 | 0 | 113.5 | Q234 R238 | Q234-D236 WeakPolarHBondContact CG-OD2 3.46Å; Q234-D236 PolarHBondContact NE2-OD2 3.23Å; D236-R238 VanDerWaalsContact C-N 3.27Å; D236-R238 PolarHBondContact O-N 3.48Å |
| 237 | S | 47.4 | Very low | 43.9 | Very low | 119 Ų | 119 | 147 Ų | 147 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -71.8 | 73.6 | -179.3 | 58 | 0 | 0 | 0 | 0 | 112.6 | | |
| 238 | R | 46.9 | Very low | 44.7 | Very low | 232 Ų | 232 | 141.6 Ų | 141.6 | 88% | 0.875 | 74% | 0.735 | S | S | * | * | | | trans | -152.6 | 102.2 | 167.4 | -88.3 | -169.5 | 175.7 | -122.9 | 0.9 | 111.3 | D236 | D236-R238 VanDerWaalsContact C-N 3.27Å; D236-R238 PolarHBondContact O-N 3.48Å |
| 239 | L | 45 | Very low | 45.7 | Very low | 150 Ų | 150 | 133.8 Ų | 133.8 | 79% | 0.785 | 71% | 0.714 | S | S | * | * | | | trans | -172.9 | 17.5 | 139.8 | -106 | 165.6 | 0 | 0 | 0 | 115.1 | Q241 | L239-Q241 PolarHBondContact O-N 2.94Š|
| 240 | E | 45.6 | Very low | 47.6 | Very low | 198 Ų | 198 | 132.8 Ų | 132.8 | 93% | 0.925 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | 62.9 | 176 | -159 | 179.5 | 172.2 | 0 | 0 | 112.2 | | |
| 241 | Q | 41.7 | Very low | 49 | Very low | 161 Ų | 161 | 130 Ų | 130 | 75% | 0.752 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.9 | 8.3 | 171.9 | -135.3 | 170.5 | 113.7 | 0 | 0 | 112.5 | L239 | L239-Q241 PolarHBondContact O-N 2.94Š|
| 242 | S | 44.1 | Very low | 51.1 | Low | 87 Ų | 87 | 128.6 Ų | 128.6 | 61% | 0.608 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -93 | -10.4 | 173.3 | -57.8 | 0 | 0 | 0 | 0 | 113.8 | C244 | S242-C244 PolarHBondContact O-N 3.29Š|
| 243 | G | 47.5 | Very low | 53.1 | Low | 42 Ų | 42 | 122.6 Ų | 122.6 | 43% | 0.433 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -64.1 | -38.4 | -165.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y245 H246 H247 | G243-Y245 PolarHBondContact O-N 3.48Å; G243-H246 PolarHBondContact O-N 2.82Å; G243-H247 WeakPolarHBondContact O-CB 3.4Å; G243-H247 PolarHBondContact O-N 2.88Å |
| 244 | C | 51.3 | Low | 55.3 | Low | 108 Ų | 108 | 119 Ų | 119 | 73% | 0.73 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -59.5 | -41.8 | -165.9 | -165 | 0 | 0 | 0 | 0 | 114.3 | S242 C248 | S242-C244 PolarHBondContact O-N 3.29Å; C244-C248 PolarHBondContact O-SG 3.18Å |
| 245 | Y | 50.6 | Low | 57.9 | Low | 173 Ų | 173 | 116.4 Ų | 116.4 | 68% | 0.678 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -85.5 | -32.3 | -177.4 | -114.1 | -79 | 0 | 0 | 0 | 113.5 | G243 | G243-Y245 PolarHBondContact O-N 3.48Å |
| 246 | H | 54.1 | Low | 60.7 | Low | 127 Ų | 127 | 120.7 Ų | 120.7 | 59% | 0.588 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -73.7 | -46.9 | 177.8 | -142.9 | -69.4 | 0 | 0 | 0 | 110.3 | G243 C248 V249 D250 | G243-H246 PolarHBondContact O-N 2.82Å; H246-C248 VanDerWaalsContact C-N 3.34Å; H246-C248 PolarHBondContact O-N 2.78Å; H246-V249 PolarHBondContact O-N 3.21Å; H246-V249 VanDerWaalsContact O-N 3.07Å; H246-D250 IonicContact CE1-OD1 3.34Å; H246-D250 PolarHBondContact CE1-OD1 3.05Å; H246-D250 IonicContact CE1-OD2 3.45Å; H246-D250 IonicContact CG-OD2 2.71Å; H246-D250 VanDerWaalsContact ND1-CG 3.26Å; H246-D250 IonicContact ND1-OD1 2.69Å; H246-D250 PolarHBondContact ND1-OD1 2.96Å; H246-D250 VanDerWaalsContact ND1-OD1 3.1Å; H246-D250 IonicContact ND1-OD2 2.68Å; H246-D250 PolarHBondContact ND1-OD2 2.68Å; H246-D250 PolarHBondContact O-N 3.12Å |
| 247 | H | 56.2 | Low | 63.2 | Low | 114 Ų | 114 | 118.4 Ų | 118.4 | 53% | 0.528 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -60.8 | -37.4 | -175.4 | -168.9 | 37.1 | 0 | 0 | 0 | 113 | G243 V249 D250 E251 | G243-H247 WeakPolarHBondContact O-CB 3.4Å; G243-H247 PolarHBondContact O-N 2.88Å; H247-V249 VanDerWaalsContact C-N 3.34Å; H247-V249 PolarHBondContact O-N 2.89Å; H247-D250 PolarHBondContact O-N 3.36Å; H247-E251 WeakPolarHBondContact O-CB 3.22Å; H247-E251 PolarHBondContact O-N 2.71Å |
| 248 | C | 58.8 | Low | 65.3 | Low | 84 Ų | 84 | 117.6 Ų | 117.6 | 57% | 0.568 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67 | -32.1 | 177 | -68.1 | 0 | 0 | 0 | 0 | 113.7 | C244 H246 | C244-C248 PolarHBondContact O-SG 3.18Å; H246-C248 VanDerWaalsContact C-N 3.34Å; H246-C248 PolarHBondContact O-N 2.78Å |
| 249 | V | 59.5 | Low | 67.5 | Low | 83 Ų | 83 | 114 Ų | 114 | 50% | 0.503 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -78 | -45.6 | 175.6 | 178.2 | 0 | 0 | 0 | 0 | 109.7 | H246 H247 N252 I253 | H246-V249 PolarHBondContact O-N 3.21Å; H246-V249 VanDerWaalsContact O-N 3.07Å; H247-V249 VanDerWaalsContact C-N 3.34Å; H247-V249 PolarHBondContact O-N 2.89Å; V249-N252 PolarHBondContact O-N 3.11Å; V249-I253 HydrophobicContact CG1-CD1 3.89Å; V249-I253 WeakPolarHBondContact O-CG1 3.18Å; V249-I253 PolarHBondContact O-N 3.28Å; V249-I253 VanDerWaalsContact O-N 3.11Å |
| 250 | D | 71.8 | Confident | 69.6 | Low | 66 Ų | 66 | 110.4 Ų | 110.4 | 35% | 0.353 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -58.8 | -48.4 | 176.2 | -62.8 | -28.9 | 0 | 0 | 0 | 111.2 | H246 H247 N252 I253 E254 | H246-D250 IonicContact CE1-OD1 3.34Å; H246-D250 PolarHBondContact CE1-OD1 3.05Å; H246-D250 IonicContact CE1-OD2 3.45Å; H246-D250 IonicContact CG-OD2 2.71Å; H246-D250 VanDerWaalsContact ND1-CG 3.26Å; H246-D250 IonicContact ND1-OD1 2.69Å; H246-D250 PolarHBondContact ND1-OD1 2.96Å; H246-D250 VanDerWaalsContact ND1-OD1 3.1Å; H246-D250 IonicContact ND1-OD2 2.68Å; H246-D250 PolarHBondContact ND1-OD2 2.68Å; H246-D250 PolarHBondContact O-N 3.12Å; H247-D250 PolarHBondContact O-N 3.36Å; D250-N252 PolarHBondContact O-N 3.36Å; D250-I253 CarbonylContact O-C 3.53Å; D250-I253 PolarHBondContact O-N 3.42Å; D250-I253 VanDerWaalsContact O-N 3.09Å; D250-E254 WeakPolarHBondContact O-CB 3.46Å; D250-E254 PolarHBondContact O-N 3.48Å |
| 251 | E | 79.4 | Confident | 71.5 | Confident | 71 Ų | 71 | 106.8 Ų | 106.8 | 33% | 0.332 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69.9 | -18 | -176.8 | -159.5 | -150.8 | -161.5 | 0 | 0 | 112.5 | H247 R255 | H247-E251 WeakPolarHBondContact O-CB 3.22Å; H247-E251 PolarHBondContact O-N 2.71Å; E251-R255 VanDerWaalsContact CG-NH1 3.33Å; E251-R255 WeakPolarHBondContact O-CB 3.45Å; E251-R255 WeakPolarHBondContact O-CG 3.4Å; E251-R255 PolarHBondContact O-N 3.16Å; E251-R255 PolarHBondContact O-NH1 3.41Å; E251-R255 IonicContact OE1-CZ 3.69Å; E251-R255 IonicContact OE1-NH1 3.68Å; E251-R255 IonicContact OE1-NH2 2.74Å; E251-R255 PolarHBondContact OE1-NH2 2.71Å; E251-R255 IonicContact OE2-CZ 3.1Å; E251-R255 IonicContact OE2-NH1 3.68Å; E251-R255 PolarHBondContact OE2-NH1 3.28Å; E251-R255 IonicContact OE2-NH2 3.77Å; E251-R255 PolarHBondContact OE2-NH2 3.46Å |
| 252 | N | 81.3 | Confident | 73.9 | Confident | 107 Ų | 107 | 104.8 Ų | 104.8 | 57% | 0.572 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -78.4 | -45.8 | 167.9 | -169.3 | -87.1 | 0 | 0 | 0 | 111.2 | V249 D250 R256 | V249-N252 PolarHBondContact O-N 3.11Å; D250-N252 PolarHBondContact O-N 3.36Å; N252-R256 WeakPolarHBondContact O-CB 3.4Å; N252-R256 PolarHBondContact O-N 3.35Å |
| 253 | I | 84.6 | Confident | 75.8 | Confident | 80 Ų | 80 | 103.4 Ų | 103.4 | 41% | 0.41 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.1 | -40.2 | 178.1 | -67.4 | 169.9 | 0 | 0 | 0 | 111 | V249 D250 R256 N257 | V249-I253 HydrophobicContact CG1-CD1 3.89Å; V249-I253 WeakPolarHBondContact O-CG1 3.18Å; V249-I253 PolarHBondContact O-N 3.28Å; V249-I253 VanDerWaalsContact O-N 3.11Å; D250-I253 CarbonylContact O-C 3.53Å; D250-I253 PolarHBondContact O-N 3.42Å; D250-I253 VanDerWaalsContact O-N 3.09Å; I253-R256 WeakPolarHBondContact O-CB 3.29Å; I253-R256 PolarHBondContact O-N 3.32Å; I253-N257 WeakPolarHBondContact O-CB 3.23Å; I253-N257 PolarHBondContact O-N 3.45Å; I253-N257 PolarHBondContact O-ND2 3.06Å; I253-N257 PolarHBondContact O-OD1 3.15Å |
| 254 | E | 91.3 | Very high | 77.4 | Confident | 128 Ų | 128 | 103.5 Ų | 103.5 | 60% | 0.598 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67.1 | -44.8 | 178.2 | -175.4 | 173.8 | -132.8 | 0 | 0 | 111 | D250 R256 N257 H258 | D250-E254 WeakPolarHBondContact O-CB 3.46Å; D250-E254 PolarHBondContact O-N 3.48Å; E254-R256 VanDerWaalsContact C-N 3.32Å; E254-R256 PolarHBondContact O-N 3.3Å; E254-N257 PolarHBondContact O-N 3.44Å; E254-H258 VanDerWaalsContact O-CB 3.24Å; E254-H258 WeakPolarHBondContact O-CB 3.2Å; E254-H258 PolarHBondContact O-N 2.94Å |
| 255 | R | 91.3 | Very high | 78.3 | Confident | 115 Ų | 115 | 103.3 Ų | 103.3 | 43% | 0.434 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.2 | -44.2 | 169.4 | -77.6 | -178 | -167.6 | 101.5 | -7.8 | 111.7 | E251 H258 Y259 | E251-R255 VanDerWaalsContact CG-NH1 3.33Å; E251-R255 WeakPolarHBondContact O-CB 3.45Å; E251-R255 WeakPolarHBondContact O-CG 3.4Å; E251-R255 PolarHBondContact O-N 3.16Å; E251-R255 PolarHBondContact O-NH1 3.41Å; E251-R255 IonicContact OE1-CZ 3.69Å; E251-R255 IonicContact OE1-NH1 3.68Å; E251-R255 IonicContact OE1-NH2 2.74Å; E251-R255 PolarHBondContact OE1-NH2 2.71Å; E251-R255 IonicContact OE2-CZ 3.1Å; E251-R255 IonicContact OE2-NH1 3.68Å; E251-R255 PolarHBondContact OE2-NH1 3.28Å; E251-R255 IonicContact OE2-NH2 3.77Å; E251-R255 PolarHBondContact OE2-NH2 3.46Å; R255-H258 PolarHBondContact O-N 3.34Å; R255-Y259 HydrophobicContact CB-CE2 4.4Å; R255-Y259 WeakPolarHBondContact O-CD2 3.29Å; R255-Y259 PolarHBondContact O-N 3.5Å |
| 256 | R | 90.1 | Very high | 79.2 | Confident | 169 Ų | 169 | 102.5 Ų | 102.5 | 64% | 0.638 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.1 | -43.2 | 178.1 | -178.7 | -176.7 | 173.9 | -152 | -4.1 | 111.8 | N252 I253 E254 Y259 L260 | N252-R256 WeakPolarHBondContact O-CB 3.4Å; N252-R256 PolarHBondContact O-N 3.35Å; I253-R256 WeakPolarHBondContact O-CB 3.29Å; I253-R256 PolarHBondContact O-N 3.32Å; E254-R256 VanDerWaalsContact C-N 3.32Å; E254-R256 PolarHBondContact O-N 3.3Å; R256-Y259 PolarHBondContact O-N 3.44Å; R256-L260 HydrophobicContact CG-CD1 4.25Å; R256-L260 WeakPolarHBondContact O-CG 3.24Å; R256-L260 PolarHBondContact O-N 2.88Å |
| 257 | N | 87.7 | Confident | 79.7 | Confident | 73 Ų | 73 | 103.1 Ų | 103.1 | 39% | 0.39 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.3 | -45.3 | 177.4 | -67.2 | -12.8 | 0 | 0 | 0 | 110.8 | I253 E254 Y259 L260 D261 | I253-N257 WeakPolarHBondContact O-CB 3.23Å; I253-N257 PolarHBondContact O-N 3.45Å; I253-N257 PolarHBondContact O-ND2 3.06Å; I253-N257 PolarHBondContact O-OD1 3.15Å; E254-N257 PolarHBondContact O-N 3.44Å; N257-Y259 VanDerWaalsContact C-N 3.28Å; N257-Y259 PolarHBondContact O-N 2.64Å; N257-L260 CarbonylContact O-C 3.57Å; N257-L260 WeakPolarHBondContact O-CA 3.09Å; N257-L260 WeakPolarHBondContact O-CB 3.46Å; N257-L260 PolarHBondContact O-N 3.26Å; N257-D261 PolarHBondContact O-N 2.85Å |
| 258 | H | 92.7 | Very high | 79.6 | Confident | 102 Ų | 102 | 107.4 Ų | 107.4 | 47% | 0.472 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -56 | -40.7 | 174.2 | -178.6 | 62.4 | 0 | 0 | 0 | 112.5 | E254 R255 L262 | E254-H258 VanDerWaalsContact O-CB 3.24Å; E254-H258 WeakPolarHBondContact O-CB 3.2Å; E254-H258 PolarHBondContact O-N 2.94Å; R255-H258 PolarHBondContact O-N 3.34Å; H258-L262 WeakPolarHBondContact NE2-CD1 3.41Å; H258-L262 WeakPolarHBondContact O-CB 3.4Å; H258-L262 VanDerWaalsContact O-CG 3.27Å; H258-L262 WeakPolarHBondContact O-CG 3.37Å; H258-L262 PolarHBondContact O-N 3.48Å |
| 259 | Y | 91.9 | Very high | 79.5 | Confident | 156 Ų | 156 | 108.6 Ų | 108.6 | 61% | 0.612 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -72.7 | -27.9 | 173.5 | -68.3 | -52.6 | 0 | 0 | 0 | 113.9 | R255 R256 N257 L262 A263 | R255-Y259 HydrophobicContact CB-CE2 4.4Å; R255-Y259 WeakPolarHBondContact O-CD2 3.29Å; R255-Y259 PolarHBondContact O-N 3.5Å; R256-Y259 PolarHBondContact O-N 3.44Å; N257-Y259 VanDerWaalsContact C-N 3.28Å; N257-Y259 PolarHBondContact O-N 2.64Å; Y259-L262 HydrophobicContact CD1-CD1 4.21Å; Y259-A263 WeakPolarHBondContact O-CB 3.3Å; Y259-A263 PolarHBondContact O-N 2.69Å; Y259-A263 VanDerWaalsContact O-N 3.09Å |
| 260 | L | 89.4 | Confident | 79 | Confident | 74 Ų | 74 | 108.9 Ų | 108.9 | 39% | 0.387 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.8 | -44.1 | 170.6 | -76.9 | 160.7 | 0 | 0 | 0 | 111.3 | R256 N257 A263 G264 I265 | R256-L260 HydrophobicContact CG-CD1 4.25Å; R256-L260 WeakPolarHBondContact O-CG 3.24Å; R256-L260 PolarHBondContact O-N 2.88Å; N257-L260 CarbonylContact O-C 3.57Å; N257-L260 WeakPolarHBondContact O-CA 3.09Å; N257-L260 WeakPolarHBondContact O-CB 3.46Å; N257-L260 PolarHBondContact O-N 3.26Å; L260-A263 PolarHBondContact O-N 2.88Å; L260-G264 PolarHBondContact O-N 3.01Å; L260-I265 HydrophobicContact CD2-CD1 4Å; L260-I265 HydrophobicContact CD2-CG1 4.27Å |
| 261 | D | 86.8 | Confident | 78.3 | Confident | 123 Ų | 123 | 113.3 Ų | 113.3 | 66% | 0.658 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.1 | -48 | 177.7 | -60.1 | -27.6 | 0 | 0 | 0 | 110.9 | N257 A263 G264 | N257-D261 PolarHBondContact O-N 2.85Å; D261-A263 VanDerWaalsContact C-N 3.25Å; D261-A263 PolarHBondContact O-N 3.34Å; D261-G264 PolarHBondContact O-N 2.81Å |
| 262 | L | 90.6 | Very high | 76.8 | Confident | 119 Ų | 119 | 119.1 Ų | 119.1 | 62% | 0.623 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -61.1 | -31.6 | 175 | -78.1 | 177.7 | 0 | 0 | 0 | 113.3 | H258 Y259 G264 | H258-L262 WeakPolarHBondContact NE2-CD1 3.41Å; H258-L262 WeakPolarHBondContact O-CB 3.4Å; H258-L262 VanDerWaalsContact O-CG 3.27Å; H258-L262 WeakPolarHBondContact O-CG 3.37Å; H258-L262 PolarHBondContact O-N 3.48Å; Y259-L262 HydrophobicContact CD1-CD1 4.21Å; L262-G264 VanDerWaalsContact C-N 3.26Å; L262-G264 PolarHBondContact O-N 3.11Å |
| 263 | A | 84.6 | Confident | 75.3 | Confident | 58 Ų | 58 | 116.2 Ų | 116.2 | 48% | 0.479 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -74.1 | -17.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y259 L260 D261 I265 | Y259-A263 WeakPolarHBondContact O-CB 3.3Å; Y259-A263 PolarHBondContact O-N 2.69Å; Y259-A263 VanDerWaalsContact O-N 3.09Å; L260-A263 PolarHBondContact O-N 2.88Å; D261-A263 VanDerWaalsContact C-N 3.25Å; D261-A263 PolarHBondContact O-N 3.34Å; A263-I265 HydrophobicContact CB-CD1 4.49Å; A263-I265 HydrophobicContact CB-CG1 4.1Å; A263-I265 HydrophobicContact CB-CG2 4.13Å; A263-I265 PolarHBondContact O-N 2.87Å; A263-I265 VanDerWaalsContact O-N 3.13Å |
| 264 | G | 80.8 | Confident | 73.8 | Confident | 44 Ų | 44 | 119.2 Ų | 119.2 | 45% | 0.454 | 61% | 0.611 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 61.3 | 18.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | L260 D261 L262 E266 | L260-G264 PolarHBondContact O-N 3.01Å; D261-G264 PolarHBondContact O-N 2.81Å; L262-G264 VanDerWaalsContact C-N 3.26Å; L262-G264 PolarHBondContact O-N 3.11Å; G264-E266 PolarHBondContact O-N 2.76Å; G264-E266 VanDerWaalsContact O-N 3.11Å |
| 265 | I | 70.1 | Confident | 71.6 | Confident | 103 Ų | 103 | 116.4 Ų | 116.4 | 53% | 0.528 | 62% | 0.616 | S | S | . | * | | | trans | -83.9 | 27 | -175.8 | 62.1 | 171.4 | 0 | 0 | 0 | 113 | L260 A263 N267 | L260-I265 HydrophobicContact CD2-CD1 4Å; L260-I265 HydrophobicContact CD2-CG1 4.27Å; A263-I265 HydrophobicContact CB-CD1 4.49Å; A263-I265 HydrophobicContact CB-CG1 4.1Å; A263-I265 HydrophobicContact CB-CG2 4.13Å; A263-I265 PolarHBondContact O-N 2.87Å; A263-I265 VanDerWaalsContact O-N 3.13Å; I265-N267 PolarHBondContact O-N 3.32Å; I265-N267 VanDerWaalsContact O-N 3.1Å |
| 266 | E | 71.3 | Confident | 69 | Low | 157 Ų | 157 | 115.9 Ų | 115.9 | 73% | 0.734 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | 114.9 | 177.2 | 50.5 | 172 | 170.9 | 0 | 0 | 111.1 | G264 Y268 | G264-E266 PolarHBondContact O-N 2.76Å; G264-E266 VanDerWaalsContact O-N 3.11Å; E266-Y268 PolarHBondContact O-N 3.06Å |
| 267 | N | 63.3 | Low | 66.9 | Low | 140 Ų | 140 | 113.3 Ų | 113.3 | 75% | 0.749 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.3 | 25.1 | 166.4 | -55 | -69.4 | 0 | 0 | 0 | 117.7 | I265 T269 | I265-N267 PolarHBondContact O-N 3.32Å; I265-N267 VanDerWaalsContact O-N 3.1Å; N267-T269 PolarHBondContact O-N 2.75Å |
| 268 | Y | 55.3 | Low | 64.7 | Low | 204 Ų | 204 | 115.6 Ų | 115.6 | 80% | 0.8 | 66% | 0.657 | S | S | * | * | | | trans | -78.1 | 55.2 | 159.6 | -69 | -79.5 | 0 | 0 | 0 | 112 | E266 S270 | E266-Y268 PolarHBondContact O-N 3.06Å; Y268-S270 PolarHBondContact O-N 2.72Å |
| 269 | T | 55.5 | Low | 62.2 | Low | 108 Ų | 108 | 117.1 Ų | 117.1 | 66% | 0.663 | 67% | 0.674 | S | S | * | * | | | trans | -64.3 | 132.6 | 166.4 | 51.9 | 0 | 0 | 0 | 0 | 108.9 | N267 Q271 | N267-T269 PolarHBondContact O-N 2.75Å; T269-Q271 PolarHBondContact O-N 3.22Å |
| 270 | S | 50 | Low | 59.5 | Low | 90 Ų | 90 | 114.1 Ų | 114.1 | 63% | 0.629 | 68% | 0.681 | S | S | * | * | | | trans | -60 | 110.7 | -166.7 | -176.6 | 0 | 0 | 0 | 0 | 112.6 | Y268 F272 G273 | Y268-S270 PolarHBondContact O-N 2.72Å; S270-F272 PolarHBondContact O-N 3.16Å; S270-F272 PolarHBondContact OG-N 3.39Å; S270-G273 PolarHBondContact O-N 3.44Å |
| 271 | Q | 55.4 | Low | 57.4 | Low | 158 Ų | 158 | 119.7 Ų | 119.7 | 74% | 0.738 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | 5.5 | 171.3 | -62.5 | -70 | 0.4 | 0 | 0 | 113 | T269 G273 | T269-Q271 PolarHBondContact O-N 3.22Å; Q271-G273 VanDerWaalsContact C-N 3.31Å |
| 272 | F | 48.9 | Very low | 54.9 | Low | 194 Ų | 194 | 122 Ų | 122 | 85% | 0.851 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | 20.3 | 174 | -60.1 | -76.6 | 0 | 0 | 0 | 113.1 | S270 | S270-F272 PolarHBondContact O-N 3.16Å; S270-F272 PolarHBondContact OG-N 3.39Å |
| 273 | G | 50.8 | Low | 52.5 | Low | 46 Ų | 46 | 121.5 Ų | 121.5 | 47% | 0.474 | 72% | 0.716 | S | S | . | * | S | Bend | trans | -77 | 122.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | S270 Q271 G275 | S270-G273 PolarHBondContact O-N 3.44Å; Q271-G273 VanDerWaalsContact C-N 3.31Å; G273-G275 PolarHBondContact O-N 3.3Å |
| 274 | P | 52.9 | Low | 49.8 | Very low | 143 Ų | 143 | 126 Ų | 126 | 93% | 0.929 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -77.1 | 86.2 | -176.9 | 31 | -35.2 | 0 | 0 | 0 | 111.9 | | |
| 275 | G | 43.7 | Very low | 47.9 | Very low | 68 Ų | 68 | 131.6 Ų | 131.6 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | | | trans | 154.3 | 71.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | G273 | G273-G275 PolarHBondContact O-N 3.3Š|
| 276 | S | 36.4 | Very low | 46.7 | Very low | 104 Ų | 104 | 131.2 Ų | 131.2 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | | | trans | -84.9 | 136.2 | 167.7 | -41.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 277 | P | 47 | Very low | 44.9 | Very low | 116 Ų | 116 | 130.1 Ų | 130.1 | 75% | 0.753 | 76% | 0.756 | S | S | * | * | | | trans | -106.6 | 134.3 | 145.7 | 33.6 | -28 | 0 | 0 | 0 | 110.4 | | |
| 278 | S | 42 | Very low | 43.7 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 84% | 0.839 | 76% | 0.762 | S | S | * | * | | | trans | -82.9 | 130.4 | 179.5 | 55.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 279 | V | 38.9 | Very low | 42.6 | Very low | 135 Ų | 135 | 131.5 Ų | 131.5 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | | | trans | -136.7 | 129 | 167 | 177.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 280 | A | 35.8 | Very low | 41.5 | Very low | 93 Ų | 93 | 131.6 Ų | 131.6 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | | | trans | 43 | 119.3 | 158.5 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 281 | Q | 45.1 | Very low | 41 | Very low | 191 Ų | 191 | 135.2 Ų | 135.2 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | | | trans | -65.1 | 136.9 | 152.1 | -57.1 | 164.1 | -84.5 | 0 | 0 | 110.1 | | |
| 282 | K | 34.2 | Very low | 40.7 | Very low | 171 Ų | 171 | 133.1 Ų | 133.1 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | | | trans | -135.6 | 91 | 148.5 | -171.8 | 169.2 | -177.5 | -77 | 0 | 109.5 | E284 | K282-E284 IonicContact NZ-OE2 2.57Å; K282-E284 PolarHBondContact NZ-OE2 3.24Å |
| 283 | S | 40.7 | Very low | 39.9 | Very low | 108 Ų | 108 | 130.2 Ų | 130.2 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | | | trans | -72.6 | 123.9 | 174.8 | 51.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 284 | E | 28.7 | Very low | 39.2 | Very low | 153 Ų | 153 | 138.8 Ų | 138.8 | 72% | 0.715 | 80% | 0.799 | S | S | * | * | | | trans | -141.4 | 118.3 | 168.1 | -151.4 | 160.2 | 143.9 | 0 | 0 | 109.1 | K282 | K282-E284 IonicContact NZ-OE2 2.57Å; K282-E284 PolarHBondContact NZ-OE2 3.24Å |
| 285 | L | 40.1 | Very low | 38.3 | Very low | 162 Ų | 162 | 137.5 Ų | 137.5 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | | | trans | -145.8 | 158.4 | -170.2 | -77 | -176.8 | 0 | 0 | 0 | 107.5 | | |
| 286 | P | 45.6 | Very low | 38.3 | Very low | 94 Ų | 94 | 145.7 Ų | 145.7 | 61% | 0.61 | 80% | 0.803 | S | S | * | * | | | | -123.7 | 174 | -97.7 | 21.6 | 1.1 | 0 | 0 | 0 | 113.1 | R288 | P286-R288 PolarHBondContact O-N 2.85Š|
| 287 | P | 33.8 | Very low | 38.3 | Very low | 134 Ų | 134 | 145.9 Ų | 145.9 | 87% | 0.87 | 81% | 0.805 | S | S | * | * | | | trans | -68.8 | 100.2 | 165.1 | 29.6 | -33.3 | 0 | 0 | 0 | 110.1 | | |
| 288 | R | 36.6 | Very low | 37.5 | Very low | 234 Ų | 234 | 148.9 Ų | 148.9 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 135.4 | 172.2 | -70.4 | -178.4 | 172.2 | -173 | -2.7 | 111.1 | P286 | P286-R288 PolarHBondContact O-N 2.85Š|
| 289 | T | 33.5 | Very low | 37.6 | Very low | 140 Ų | 140 | 148.8 Ų | 148.8 | 86% | 0.859 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 154.6 | 148.5 | 52.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 290 | S | 32 | Very low | 37.7 | Very low | 109 Ų | 109 | 148 Ų | 148 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 127.1 | -160.7 | 46.4 | 0 | 0 | 0 | 0 | 114.8 | | |
| 291 | N | 38.7 | Very low | 37.7 | Very low | 167 Ų | 167 | 151 Ų | 151 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 135.4 | 158.8 | -74 | -29 | 0 | 0 | 0 | 110 | | |
| 292 | P | 49.8 | Very low | 37.2 | Very low | 114 Ų | 114 | 146.9 Ų | 146.9 | 74% | 0.74 | 79% | 0.789 | S | S | * | * | | | trans | -138.5 | 69.2 | 163.4 | 39.5 | -23.5 | 0 | 0 | 0 | 115 | | |
| 293 | T | 31.9 | Very low | 37.3 | Very low | 133 Ų | 133 | 144.6 Ų | 144.6 | 82% | 0.816 | 78% | 0.783 | S | S | * | * | | | trans | -145.8 | 101.7 | 160.6 | -9.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 294 | R | 36.1 | Very low | 37.1 | Very low | 225 Ų | 225 | 148.2 Ų | 148.2 | 85% | 0.849 | 79% | 0.788 | S | S | * | * | | | trans | 40.1 | 112.4 | 132 | -163.9 | -178.8 | -163 | -104.2 | 9.9 | 118.8 | | |
| 295 | S | 33.9 | Very low | 37.3 | Very low | 116 Ų | 116 | 147 Ų | 147 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | | | | -164.6 | 174.3 | 106.7 | -80.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 296 | R | 43.1 | Very low | 38.1 | Very low | 240 Ų | 240 | 144.8 Ų | 144.8 | 91% | 0.906 | 79% | 0.786 | S | S | * | * | | | trans | -136.3 | 159.3 | -155.6 | 174.6 | -175.5 | 177 | -152.3 | 1.9 | 111.9 | | |
| 297 | S | 36.2 | Very low | 37.4 | Very low | 109 Ų | 109 | 147.6 Ų | 147.6 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | | | trans | 76.3 | 153.2 | 173.1 | 79.5 | 0 | 0 | 0 | 0 | 115.4 | | |
| 298 | H | 32.2 | Very low | 37.2 | Very low | 179 Ų | 179 | 151.2 Ų | 151.2 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | | | cis | -140.9 | 158.1 | -1.3 | -163.3 | -72.8 | 0 | 0 | 0 | 109.4 | | |
| 299 | E | 43.4 | Very low | 37.3 | Very low | 117 Ų | 117 | 149.4 Ų | 149.4 | 55% | 0.547 | 79% | 0.786 | S | S | . | * | | | trans | -130.7 | 153.7 | -177.2 | -163 | -75.4 | 152.7 | 0 | 0 | 109.9 | E301 | E299-E301 VanDerWaalsContact CD-N 3.3Å; E299-E301 PolarHBondContact OE1-N 3.35Å; E299-E301 VanDerWaalsContact OE1-N 3.13Å; E299-E301 PolarHBondContact OE2-N 2.82Å |
| 300 | P | 41.6 | Very low | 38 | Very low | 118 Ų | 118 | 147.5 Ų | 147.5 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | | | trans | -138.1 | 104.3 | 157.6 | 34.4 | -16.8 | 0 | 0 | 0 | 114.6 | | |
| 301 | E | 35.1 | Very low | 38 | Very low | 156 Ų | 156 | 151.6 Ų | 151.6 | 73% | 0.729 | 78% | 0.783 | S | S | * | * | | | trans | -54.3 | 143.7 | 172.4 | -74.5 | -178.4 | 88.4 | 0 | 0 | 113.8 | E299 | E299-E301 VanDerWaalsContact CD-N 3.3Å; E299-E301 PolarHBondContact OE1-N 3.35Å; E299-E301 VanDerWaalsContact OE1-N 3.13Å; E299-E301 PolarHBondContact OE2-N 2.82Å |
| 302 | A | 35.1 | Very low | 37.6 | Very low | 105 Ų | 105 | 147.2 Ų | 147.2 | 87% | 0.868 | 78% | 0.777 | S | S | * | * | | | trans | -124 | 104 | 160.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 303 | I | 36.3 | Very low | 37 | Very low | 123 Ų | 123 | 148.4 Ų | 148.4 | 63% | 0.631 | 78% | 0.782 | S | S | * | * | | | trans | -74 | 138.8 | -172.2 | -61 | 159.8 | 0 | 0 | 0 | 111 | | |
| 304 | H | 34.7 | Very low | 37.1 | Very low | 184 Ų | 184 | 148.9 Ų | 148.9 | 85% | 0.852 | 78% | 0.78 | S | S | * | * | | | | 178.5 | 152.4 | 121.3 | -96.8 | -70.4 | 0 | 0 | 0 | 113.3 | | |
| 305 | V | 33.6 | Very low | 38.2 | Very low | 127 Ų | 127 | 143.4 Ų | 143.4 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | | | trans | -126.1 | -171.5 | -169.8 | -149.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 306 | P | 57.7 | Low | 38 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | | | | -94.9 | -173.9 | -117.3 | 43.3 | -30.3 | 0 | 0 | 0 | 114.8 | | |
| 307 | H | 29.7 | Very low | 37.6 | Very low | 154 Ų | 154 | 134.2 Ų | 134.2 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | | | trans | -170.6 | 153.4 | 130.2 | -151 | -166.3 | 0 | 0 | 0 | 116.1 | | |
| 308 | R | 30.5 | Very low | 37.2 | Very low | 210 Ų | 210 | 138.4 Ų | 138.4 | 79% | 0.792 | 76% | 0.762 | S | S | * | * | | | trans | 66 | 105.9 | 153.4 | -88.7 | 174.4 | -175.3 | 168 | 3.5 | 123.8 | | |
| 309 | K | 37.4 | Very low | 37.6 | Very low | 195 Ų | 195 | 138.3 Ų | 138.3 | 85% | 0.848 | 76% | 0.762 | S | S | * | * | | | | -71.2 | 172.2 | 127.5 | -96.5 | 178.3 | 178.5 | 179.3 | 0 | 110 | | |
| 310 | P | 48.9 | Very low | 37 | Very low | 101 Ų | 101 | 141.3 Ų | 141.3 | 66% | 0.656 | 77% | 0.773 | S | S | * | * | | | cis | -155.9 | -178.5 | 41.3 | 45.1 | -23.2 | 0 | 0 | 0 | 120.4 | | |
| 311 | Q | 32.3 | Very low | 36.8 | Very low | 194 Ų | 194 | 142.2 Ų | 142.2 | 91% | 0.907 | 77% | 0.771 | S | S | * | * | | | trans | 65.8 | 142.4 | 146.3 | -81.7 | 164.9 | -49.9 | 0 | 0 | 123 | | |
| 312 | G | 30.9 | Very low | 36.6 | Very low | 75 Ų | 75 | 141.2 Ų | 141.2 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | | | trans | 174 | 61 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 313 | V | 36.1 | Very low | 36.5 | Very low | 139 Ų | 139 | 141.6 Ų | 141.6 | 84% | 0.842 | 76% | 0.762 | S | S | * | * | | | trans | 1.9 | 114.9 | 167.1 | -158.7 | 0 | 0 | 0 | 0 | 121 | | |
| 314 | D | 34.4 | Very low | 37.3 | Very low | 144 Ų | 144 | 140.9 Ų | 140.9 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | | | | 29.3 | 165.2 | 114.3 | -127.6 | 36.9 | 0 | 0 | 0 | 122.7 | | |
| 315 | P | 58.3 | Low | 37.1 | Very low | 110 Ų | 110 | 139.2 Ų | 139.2 | 71% | 0.714 | 76% | 0.761 | S | S | * | * | | | | -137 | -172.4 | -85 | 44.6 | -27.9 | 0 | 0 | 0 | 115.2 | | |
| 316 | G | 30.8 | Very low | 37 | Very low | 73 Ų | 73 | 137.3 Ų | 137.3 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | | | trans | 121 | 158.7 | 153.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 317 | S | 34.3 | Very low | 35.8 | Very low | 90 Ų | 90 | 141.2 Ų | 141.2 | 63% | 0.629 | 76% | 0.764 | S | S | * | * | | | cis | -162.6 | 163.1 | -14.9 | -158.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 318 | F | 27.7 | Very low | 36 | Very low | 196 Ų | 196 | 140.1 Ų | 140.1 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | | | trans | 63.8 | 129.6 | 163.6 | -58.1 | -60.6 | 0 | 0 | 0 | 121.1 | | |
| 319 | H | 40.4 | Very low | 36.4 | Very low | 178 Ų | 178 | 135 Ų | 135 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | | | trans | -74.7 | 163.8 | 157.2 | -51 | -107.2 | 0 | 0 | 0 | 110.5 | | |
| 320 | F | 31.5 | Very low | 36.5 | Very low | 180 Ų | 180 | 134.2 Ų | 134.2 | 79% | 0.789 | 76% | 0.764 | S | S | * | * | | | | -175.5 | 125.7 | 119.6 | -118.9 | -124.9 | 0 | 0 | 0 | 112.7 | | |
| 321 | L | 37 | Very low | 35.7 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 71% | 0.712 | 78% | 0.775 | S | S | * | * | | | trans | 53.9 | 168.2 | 152 | -53.2 | -178.3 | 0 | 0 | 0 | 118.5 | | |
| 322 | D | 30.8 | Very low | 35.8 | Very low | 136 Ų | 136 | 135.2 Ų | 135.2 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | cis | -138.1 | -167.7 | -1.6 | -151 | -21.9 | 0 | 0 | 0 | 111.5 | | |
| 323 | T | 33.4 | Very low | 35.9 | Very low | 113 Ų | 113 | 138.6 Ų | 138.6 | 69% | 0.693 | 76% | 0.76 | S | S | * | * | | | trans | -121.3 | -159.8 | -163.6 | -8.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 324 | P | 52.6 | Low | 35.7 | Very low | 107 Ų | 107 | 143.8 Ų | 143.8 | 70% | 0.695 | 76% | 0.764 | S | S | * | * | | | | -115.3 | -154.2 | -69.8 | 24.2 | -2.7 | 0 | 0 | 0 | 112.5 | | |
| 325 | I | 30.6 | Very low | 35.8 | Very low | 149 Ų | 149 | 142.3 Ų | 142.3 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | | | trans | 95.7 | 84.5 | 152.7 | -49.3 | 175.3 | 0 | 0 | 0 | 118.8 | | |
| 326 | A | 31.4 | Very low | 34.6 | Very low | 88 Ų | 88 | 147.7 Ų | 147.7 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | | | | 64.4 | 160.9 | 113.5 | 0 | 0 | 0 | 0 | 0 | 124.1 | | |
| 327 | K | 32.4 | Very low | 34.6 | Very low | 198 Ų | 198 | 147.3 Ų | 147.3 | 86% | 0.861 | 76% | 0.758 | S | S | * | * | | | trans | 76.2 | 118.8 | 175.8 | -58 | -179.9 | -177.4 | 177.5 | 0 | 114.3 | | |
| 328 | V | 35.1 | Very low | 34.4 | Very low | 131 Ų | 131 | 149.9 Ų | 149.9 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | | | cis | 93.6 | 115 | 42.9 | 171.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 329 | S | 37.4 | Very low | 34.8 | Very low | 101 Ų | 101 | 148 Ų | 148 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | | | trans | 68.6 | 115.8 | 160.5 | -62.8 | 0 | 0 | 0 | 0 | 121.4 | | |
| 330 | E | 41.1 | Very low | 34.5 | Very low | 179 Ų | 179 | 146.2 Ų | 146.2 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | | | | 70.2 | 112.2 | 122.8 | -163.4 | 171.9 | 176.9 | 0 | 0 | 119.9 | | |
| 331 | L | 30.3 | Very low | 34.7 | Very low | 170 Ų | 170 | 140.9 Ų | 140.9 | 89% | 0.89 | 76% | 0.756 | S | S | * | * | | | trans | -137.2 | 136.9 | 149.8 | -169.1 | 64.5 | 0 | 0 | 0 | 112.3 | | |
| 332 | Q | 34.9 | Very low | 34.6 | Very low | 147 Ų | 147 | 139.1 Ų | 139.1 | 69% | 0.687 | 76% | 0.755 | S | S | * | * | | | trans | -53 | 140 | -178.9 | -88.7 | 179.6 | -12.1 | 0 | 0 | 117.6 | | |
| 333 | Q | 33.3 | Very low | 35.1 | Very low | 146 Ų | 146 | 141.7 Ų | 141.7 | 68% | 0.682 | 76% | 0.76 | S | S | * | * | | | | 64 | 123.3 | 117 | -158.6 | 178.6 | 12.6 | 0 | 0 | 120.4 | | |
| 334 | R | 32.1 | Very low | 35.6 | Very low | 248 Ų | 248 | 144.3 Ų | 144.3 | 94% | 0.936 | 76% | 0.764 | S | S | * | * | | | trans | -132.5 | 159.3 | 143.9 | -165 | 150.5 | -71.2 | 173.3 | 0.2 | 110.3 | | |
| 335 | L | 35.8 | Very low | 34.9 | Very low | 113 Ų | 113 | 149 Ų | 149 | 59% | 0.592 | 77% | 0.774 | S | S | * | * | | | trans | -119.8 | 169.8 | -150.7 | 179.9 | 62 | 0 | 0 | 0 | 112.7 | | |
| 336 | R | 33.9 | Very low | 35.4 | Very low | 222 Ų | 222 | 148.2 Ų | 148.2 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | | | trans | 89.4 | 132.9 | 174.6 | -47.1 | -63.5 | 178 | -155.4 | -3 | 113.9 | | |
| 337 | G | 30.7 | Very low | 35.6 | Very low | 65 Ų | 65 | 155 Ų | 155 | 67% | 0.67 | 78% | 0.782 | S | S | * | * | | | cis | 132.1 | 155.5 | -9.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 338 | T | 29 | Very low | 35.9 | Very low | 144 Ų | 144 | 151.1 Ų | 151.1 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | | | trans | 77.1 | 144.4 | 175.5 | -48.3 | 0 | 0 | 0 | 0 | 115.4 | | |
| 339 | Q | 36.5 | Very low | 36.4 | Very low | 157 Ų | 157 | 151.3 Ų | 151.3 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | | | cis | -164.6 | 162.5 | -38 | -166.1 | 178.5 | -67.8 | 0 | 0 | 107.8 | | |
| 340 | D | 34.7 | Very low | 36.1 | Very low | 141 Ų | 141 | 156 Ų | 156 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | | | trans | 68.1 | 153.3 | 165.6 | -77.5 | -59.2 | 0 | 0 | 0 | 118.7 | | |
| 341 | G | 35.3 | Very low | 36.1 | Very low | 68 Ų | 68 | 152.3 Ų | 152.3 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | | | cis | 147.5 | 89.6 | -7.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 342 | S | 34.7 | Very low | 36.4 | Very low | 98 Ų | 98 | 152.5 Ų | 152.5 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | | | trans | -151.2 | 155.1 | 165 | -171.7 | 0 | 0 | 0 | 0 | 111.8 | H344 | S342-H344 PolarHBondContact OG-NE2 3.09Š|
| 343 | K | 41.4 | Very low | 36.4 | Very low | 191 Ų | 191 | 148.8 Ų | 148.8 | 83% | 0.83 | 79% | 0.79 | S | S | * | * | | | trans | -127.6 | 126.4 | -178.3 | -54.2 | 177.1 | -173 | 177.6 | 0 | 108.9 | | |
| 344 | H | 43.5 | Very low | 37.1 | Very low | 167 Ų | 167 | 151.1 Ų | 151.1 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | | | trans | -126.5 | 106.9 | 172.9 | -72.9 | -70.1 | 0 | 0 | 0 | 112 | S342 | S342-H344 PolarHBondContact OG-NE2 3.09Š|
| 345 | F | 39.6 | Very low | 37.2 | Very low | 207 Ų | 207 | 144.7 Ų | 144.7 | 91% | 0.908 | 79% | 0.79 | S | S | * | * | | | trans | -83.4 | 115 | 164.2 | -87.4 | -96.8 | 0 | 0 | 0 | 109.7 | | |
| 346 | V | 39.2 | Very low | 37.1 | Very low | 131 Ų | 131 | 146.3 Ų | 146.3 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | | | trans | -164.1 | 147.8 | 160 | -95.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 347 | R | 36.4 | Very low | 37 | Very low | 232 Ų | 232 | 138.7 Ų | 138.7 | 88% | 0.875 | 80% | 0.795 | S | S | * | * | | | cis | -172.4 | 111.8 | -26.3 | 172.4 | 174.7 | -179.5 | 178.6 | -0 | 107.1 | | |
| 348 | S | 38.5 | Very low | 37.2 | Very low | 116 Ų | 116 | 142.7 Ų | 142.7 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | | | trans | -67.3 | 131.8 | -177.7 | -47.4 | 0 | 0 | 0 | 0 | 112.4 | K350 | S348-K350 PolarHBondContact O-N 3.26Š|
| 349 | P | 46.3 | Very low | 37.3 | Very low | 135 Ų | 135 | 139.2 Ų | 139.2 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | | | trans | -71.7 | 118.3 | 169.1 | -16.5 | 31.4 | 0 | 0 | 0 | 110.6 | | |
| 350 | K | 31.1 | Very low | 37.4 | Very low | 198 Ų | 198 | 139.9 Ų | 139.9 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | | | trans | -112.6 | 112.7 | 168.6 | -176.2 | 170.2 | -177.3 | 172.3 | 0 | 108.5 | S348 | S348-K350 PolarHBondContact O-N 3.26Š|
| 351 | A | 40.3 | Very low | 37.5 | Very low | 102 Ų | 102 | 138.7 Ų | 138.7 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | | | trans | -66.2 | 144.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 352 | Q | 37.1 | Very low | 37.5 | Very low | 174 Ų | 174 | 140.1 Ų | 140.1 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | | | trans | -108.4 | 123.5 | -168.6 | -179.6 | 178.8 | 7.4 | 0 | 0 | 110.9 | | |
| 353 | G | 34 | Very low | 37.6 | Very low | 70 Ų | 70 | 147.3 Ų | 147.3 | 72% | 0.722 | 82% | 0.817 | S | S | * | * | | | trans | -74.1 | 151.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 354 | K | 48.1 | Very low | 37.1 | Very low | 195 Ų | 195 | 141.6 Ų | 141.6 | 85% | 0.848 | 81% | 0.812 | S | S | * | * | | | trans | -126.3 | 148.9 | 162.6 | -73.3 | -172.9 | 177.3 | -178.2 | 0 | 109 | | |
| 355 | S | 34.5 | Very low | 36.6 | Very low | 112 Ų | 112 | 139 Ų | 139 | 78% | 0.783 | 82% | 0.82 | S | S | * | * | | | trans | -127 | -168.6 | -174.8 | 58.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 356 | V | 35.1 | Very low | 36.7 | Very low | 147 Ų | 147 | 139.9 Ų | 139.9 | 89% | 0.891 | 82% | 0.817 | S | S | * | * | | | trans | 80 | 120.9 | -178.2 | -169.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 357 | G | 31.7 | Very low | 36.5 | Very low | 62 Ų | 62 | 139.8 Ų | 139.8 | 64% | 0.639 | 81% | 0.812 | S | S | * | * | | | cis | 165.5 | 169.5 | -9.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 358 | V | 33.9 | Very low | 36.7 | Very low | 150 Ų | 150 | 138 Ų | 138 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | | | trans | 43.8 | 127.9 | 151.7 | -166.6 | 0 | 0 | 0 | 0 | 118.4 | | |
| 359 | G | 32 | Very low | 37.5 | Very low | 71 Ų | 71 | 137.6 Ų | 137.6 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | | | cis | -162.9 | -154.8 | 4.1 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 360 | H | 38.3 | Very low | 38 | Very low | 170 Ų | 170 | 136.7 Ų | 136.7 | 79% | 0.787 | 80% | 0.799 | S | S | * | * | | | cis | -161.1 | 141 | 7.9 | -160.9 | -105.5 | 0 | 0 | 0 | 111 | | |
| 361 | V | 37.1 | Very low | 38.3 | Very low | 116 Ų | 116 | 135.9 Ų | 135.9 | 70% | 0.703 | 80% | 0.803 | S | S | * | * | | | trans | 23.2 | 126 | 155.7 | -177.4 | 0 | 0 | 0 | 0 | 121.9 | | |
| 362 | A | 34.9 | Very low | 37.8 | Very low | 99 Ų | 99 | 134 Ų | 134 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | -154.5 | 155.6 | 135.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 363 | R | 36.8 | Very low | 38.7 | Very low | 249 Ų | 249 | 131.9 Ų | 131.9 | 94% | 0.94 | 80% | 0.795 | S | S | * | * | | | trans | -110.4 | 164.5 | 175.3 | -58 | 172.4 | -179.9 | 169.6 | -1.7 | 108.7 | | |
| 364 | G | 30.8 | Very low | 38.4 | Very low | 70 Ų | 70 | 133.1 Ų | 133.1 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | | | cis | 155.4 | -173.3 | -0.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 365 | A | 33.8 | Very low | 37.9 | Very low | 114 Ų | 114 | 133.5 Ų | 133.5 | 94% | 0.942 | 80% | 0.801 | S | S | * | * | | | trans | 71 | -177.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 366 | R | 41.5 | Very low | 38.6 | Very low | 224 Ų | 224 | 133.9 Ų | 133.9 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | | | trans | -153.4 | 151.7 | -144.8 | -141.6 | 179.8 | -176.4 | -178.7 | 1.5 | 113.5 | | |
| 367 | N | 34.8 | Very low | 38.5 | Very low | 130 Ų | 130 | 130.7 Ų | 130.7 | 70% | 0.695 | 79% | 0.79 | S | S | * | * | | | trans | 83.5 | 118.9 | 152.3 | -68 | -29.2 | 0 | 0 | 0 | 124.6 | | |
| 368 | K | 39.2 | Very low | 38.7 | Very low | 195 Ų | 195 | 134.6 Ų | 134.6 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | | | | 91.6 | 152.2 | 129.9 | -67.2 | -77.1 | -174.1 | 173.5 | 0 | 123.1 | | |
| 369 | P | 55.5 | Low | 38.6 | Very low | 107 Ų | 107 | 132.6 Ų | 132.6 | 70% | 0.695 | 79% | 0.794 | S | S | * | * | | | trans | -114.5 | -153 | -171.9 | 47.4 | -33.4 | 0 | 0 | 0 | 111.8 | | |
| 370 | P | 57.2 | Low | 39.7 | Very low | 115 Ų | 115 | 134.9 Ų | 134.9 | 75% | 0.747 | 80% | 0.796 | S | S | * | * | | | cis | -140.7 | -172.9 | -2.6 | 44.1 | -24.9 | 0 | 0 | 0 | 117.2 | | |
| 371 | L | 36.6 | Very low | 39.6 | Very low | 181 Ų | 181 | 132.3 Ų | 132.3 | 95% | 0.948 | 80% | 0.797 | S | S | * | * | | | trans | -162.7 | 158.6 | 155.5 | -108.8 | 157.6 | 0 | 0 | 0 | 112.1 | | |
| 372 | G | 31.4 | Very low | 39.4 | Very low | 64 Ų | 64 | 129.9 Ų | 129.9 | 66% | 0.66 | 79% | 0.789 | S | S | * | * | | | trans | -127.8 | -144 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 373 | P | 56.4 | Low | 39.4 | Very low | 128 Ų | 128 | 133.3 Ų | 133.3 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | | | cis | -140.3 | -179.8 | -4.9 | 44.1 | -27.4 | 0 | 0 | 0 | 115.7 | | |
| 374 | A | 27.1 | Very low | 39.5 | Very low | 97 Ų | 97 | 129.3 Ų | 129.3 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | | | trans | -179 | 157.4 | 144.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 375 | F | 37.4 | Very low | 39.5 | Very low | 202 Ų | 202 | 130.7 Ų | 130.7 | 89% | 0.886 | 79% | 0.789 | S | S | * | * | | | trans | -131.5 | 179.9 | -179.8 | -80.7 | -73.1 | 0 | 0 | 0 | 109.9 | | |
| 376 | P | 49.9 | Very low | 39.4 | Very low | 120 Ų | 120 | 130.4 Ų | 130.4 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | | | cis | -128.8 | -148 | 9.5 | 44 | -23.8 | 0 | 0 | 0 | 112.5 | | |
| 377 | A | 32.2 | Very low | 39 | Very low | 81 Ų | 81 | 125.2 Ų | 125.2 | 67% | 0.669 | 79% | 0.785 | S | S | * | * | | | cis | -159.1 | 151.8 | 3.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 378 | V | 35 | Very low | 40 | Very low | 143 Ų | 143 | 124.6 Ų | 124.6 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | | | trans | 48 | 131 | 135.3 | 178.8 | 0 | 0 | 0 | 0 | 122.9 | | |
| 379 | S | 33 | Very low | 39.6 | Very low | 109 Ų | 109 | 119.6 Ų | 119.6 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | | | trans | -92.6 | -164.2 | 173.7 | -25.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 380 | P | 55.1 | Low | 38.5 | Very low | 119 Ų | 119 | 122.8 Ų | 122.8 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | | | cis | -146 | -179.5 | 27.1 | 44.3 | -22.4 | 0 | 0 | 0 | 119.2 | | |
| 381 | S | 35.1 | Very low | 37.7 | Very low | 116 Ų | 116 | 125.2 Ų | 125.2 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | | | trans | 6.5 | 156.3 | 142.9 | -132.6 | 0 | 0 | 0 | 0 | 121 | | |
| 382 | A | 34.1 | Very low | 37.9 | Very low | 65 Ų | 65 | 122.8 Ų | 122.8 | 54% | 0.537 | 79% | 0.794 | S | S | . | * | | | cis | -173.5 | 177.7 | 33.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 383 | H | 35.1 | Very low | 38.2 | Very low | 171 Ų | 171 | 125 Ų | 125 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | | | trans | 71.3 | 109.7 | 149.7 | -59 | -51.9 | 0 | 0 | 0 | 124.4 | | |
| 384 | L | 37.6 | Very low | 37.1 | Very low | 164 Ų | 164 | 127 Ų | 127 | 86% | 0.859 | 80% | 0.802 | S | S | * | * | | | | 31 | 127.9 | 123.3 | -58 | 172.9 | 0 | 0 | 0 | 122 | | |
| 385 | A | 31 | Very low | 37.6 | Very low | 100 Ų | 100 | 126 Ų | 126 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | | | | -176.8 | 162.8 | 123.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 386 | A | 32.9 | Very low | 38.1 | Very low | 107 Ų | 107 | 121.7 Ų | 121.7 | 88% | 0.884 | 79% | 0.786 | S | S | * | * | | | trans | 71.5 | 122.3 | 157.3 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 387 | S | 32.1 | Very low | 37.5 | Very low | 116 Ų | 116 | 122.9 Ų | 122.9 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | | | trans | -125.3 | -179 | 154.9 | -152 | 0 | 0 | 0 | 0 | 106.2 | | |
| 388 | P | 55.3 | Low | 37.5 | Very low | 116 Ų | 116 | 122.6 Ų | 122.6 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | | | cis | -136 | 173.9 | -4.8 | 43.1 | -26.7 | 0 | 0 | 0 | 115.9 | | |
| 389 | A | 31.3 | Very low | 37.6 | Very low | 90 Ų | 90 | 123.3 Ų | 123.3 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | | | trans | -169.4 | 115 | 153.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 390 | L | 32.1 | Very low | 38.2 | Very low | 174 Ų | 174 | 128.1 Ų | 128.1 | 91% | 0.911 | 79% | 0.791 | S | S | * | * | | | | 70.3 | 117.5 | 81 | -68.7 | 178.8 | 0 | 0 | 0 | 116 | | |
| 391 | L | 40.7 | Very low | 37.5 | Very low | 166 Ų | 166 | 132 Ų | 132 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | | | trans | -80.5 | 161.3 | 162.3 | -60.7 | 172.9 | 0 | 0 | 0 | 110.1 | | |
| 392 | P | 41.7 | Very low | 37.7 | Very low | 130 Ų | 130 | 134.1 Ų | 134.1 | 84% | 0.844 | 79% | 0.793 | S | S | * | * | | | | -148.3 | 176.6 | 98.8 | 38.6 | -21.8 | 0 | 0 | 0 | 116.1 | | |
| 393 | S | 36.8 | Very low | 38.2 | Very low | 110 Ų | 110 | 140.9 Ų | 140.9 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | | | trans | -79.4 | 160.4 | 174.7 | 175.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 394 | L | 33.7 | Very low | 38.6 | Very low | 171 Ų | 171 | 139.2 Ų | 139.2 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | | | trans | -169.7 | 151.5 | 138.4 | -104.1 | 167.8 | 0 | 0 | 0 | 113.8 | | |
| 395 | A | 36.5 | Very low | 38.7 | Very low | 77 Ų | 77 | 141.8 Ų | 141.8 | 64% | 0.636 | 80% | 0.8 | S | S | * | * | | | trans | -116.6 | -170.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 396 | P | 48.8 | Very low | 38.8 | Very low | 110 Ų | 110 | 141.3 Ų | 141.3 | 71% | 0.714 | 80% | 0.796 | S | S | * | * | | | cis | -146.8 | -151.6 | 13.7 | 39.3 | -13.5 | 0 | 0 | 0 | 115.2 | | |
| 397 | L | 37.5 | Very low | 39.5 | Very low | 146 Ų | 146 | 145.6 Ų | 145.6 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | | | trans | 80.1 | 136.7 | 162.9 | -68.9 | 157.3 | 0 | 0 | 0 | 119.5 | | |
| 398 | G | 31.5 | Very low | 39.7 | Very low | 75 Ų | 75 | 147.5 Ų | 147.5 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | | | trans | 166 | 54.9 | 179 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 399 | H | 38.6 | Very low | 38.8 | Very low | 158 Ų | 158 | 146.2 Ų | 146.2 | 73% | 0.731 | 78% | 0.784 | S | S | * | * | | | trans | -69.6 | 137.7 | -174.3 | -32.5 | -93.3 | 0 | 0 | 0 | 114.5 | | |
| 400 | K | 45.1 | Very low | 39.1 | Very low | 210 Ų | 210 | 149.5 Ų | 149.5 | 91% | 0.913 | 78% | 0.784 | S | S | * | * | | | trans | -133.5 | 152.4 | 155.3 | -76.7 | -162.3 | 174.9 | -179.8 | 0 | 113.1 | | |
| 401 | K | 40.3 | Very low | 39.4 | Very low | 201 Ų | 201 | 149.8 Ų | 149.8 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | | | trans | -88.6 | 140 | -152.7 | -61.4 | -76.8 | -173.9 | 173.8 | 0 | 114.1 | | |
| 402 | H | 40 | Very low | 38.8 | Very low | 160 Ų | 160 | 145.6 Ų | 145.6 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | | | trans | -40.2 | 135.3 | 150.9 | 161.7 | 109.5 | 0 | 0 | 0 | 113 | H404 | H402-H404 WeakPolarHBondContact NE2-CB 3.27Š|
| 403 | K | 44.3 | Very low | 38.3 | Very low | 206 Ų | 206 | 144.7 Ų | 144.7 | 90% | 0.896 | 77% | 0.773 | S | S | * | * | | | trans | -124 | 133.8 | 161.5 | -173 | 178.1 | 179.5 | -176.8 | 0 | 108.7 | | |
| 404 | H | 43.5 | Very low | 38.3 | Very low | 136 Ų | 136 | 151.3 Ų | 151.3 | 63% | 0.63 | 78% | 0.781 | S | S | * | * | | | trans | -123.6 | 169.6 | -172.4 | 154.9 | -113.3 | 0 | 0 | 0 | 111.1 | H402 | H402-H404 WeakPolarHBondContact NE2-CB 3.27Š|
| 405 | R | 38.9 | Very low | 38.1 | Very low | 219 Ų | 219 | 146.6 Ų | 146.6 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | | | trans | 73.6 | 149.2 | -176.7 | -94.8 | 177.3 | 170.2 | -135.2 | -0.8 | 115.2 | | |
| 406 | A | 34 | Very low | 38.4 | Very low | 89 Ų | 89 | 151.2 Ų | 151.2 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | | | cis | -133.2 | 154.6 | 7.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 407 | K | 47.3 | Very low | 37.6 | Very low | 198 Ų | 198 | 155.2 Ų | 155.2 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | | | trans | -88.4 | 123.3 | 163.7 | 171.7 | -174.8 | 179.9 | 179.4 | 0 | 107.7 | | |
| 408 | E | 35.6 | Very low | 37.7 | Very low | 156 Ų | 156 | 152.5 Ų | 152.5 | 73% | 0.729 | 79% | 0.794 | S | S | * | * | | | trans | -114.7 | 148.6 | 162.2 | -175.4 | 163 | -177.5 | 0 | 0 | 110 | Q410 | E408-Q410 PolarHBondContact OE1-NE2 2.69Š|
| 409 | S | 35.8 | Very low | 38.3 | Very low | 88 Ų | 88 | 154.5 Ų | 154.5 | 62% | 0.615 | 79% | 0.794 | S | S | * | * | | | trans | -153.3 | 101.2 | -177.3 | 158.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 410 | Q | 37.6 | Very low | 38.2 | Very low | 159 Ų | 159 | 154.9 Ų | 154.9 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | | | trans | -123.3 | 117.2 | 160.1 | -54.9 | -169.7 | 37.8 | 0 | 0 | 105.5 | E408 | E408-Q410 PolarHBondContact OE1-NE2 2.69Š|
| 411 | Q | 38.5 | Very low | 37.8 | Very low | 181 Ų | 181 | 149.6 Ų | 149.6 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | | | | 57.9 | 94.5 | 61.6 | -65.8 | -163.6 | -22.9 | 0 | 0 | 113 | | |
| 412 | G | 28.7 | Very low | 37.6 | Very low | 77 Ų | 77 | 146.4 Ų | 146.4 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | | | trans | -144.8 | 104.5 | 161.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 413 | C | 32 | Very low | 37.3 | Very low | 111 Ų | 111 | 142.1 Ų | 142.1 | 75% | 0.75 | 80% | 0.798 | S | S | * | * | | | trans | -129.4 | 146.2 | -176.9 | -76.3 | 0 | 0 | 0 | 0 | 111 | | |
| 414 | R | 36.4 | Very low | 36.7 | Very low | 250 Ų | 250 | 136 Ų | 136 | 94% | 0.943 | 79% | 0.793 | S | S | * | * | | | trans | 69.2 | 155.8 | -174.3 | -43.2 | -61.5 | -170.6 | -129.1 | -1.4 | 112.5 | | |
| 415 | G | 29.2 | Very low | 36.9 | Very low | 71 Ų | 71 | 135 Ų | 135 | 73% | 0.732 | 80% | 0.799 | S | S | * | * | | | cis | -167.8 | -175.3 | 1.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 416 | L | 43.4 | Very low | 36.9 | Very low | 174 Ų | 174 | 132 Ų | 132 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | | | trans | -70.9 | 134.1 | 179.5 | -62 | 160 | 0 | 0 | 0 | 111.8 | | |
| 417 | Q | 31.8 | Very low | 37.5 | Very low | 195 Ų | 195 | 136 Ų | 136 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | | | | 175 | 162.1 | 124.7 | -98.2 | 179.8 | 33.3 | 0 | 0 | 112.2 | | |
| 418 | A | 38.3 | Very low | 37 | Very low | 88 Ų | 88 | 129.5 Ų | 129.5 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | | | trans | -122.8 | 153.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 419 | P | 44.7 | Very low | 37.2 | Very low | 117 Ų | 117 | 132.8 Ų | 132.8 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | | | trans | -142.6 | 133.9 | 146.4 | 34.2 | -17.7 | 0 | 0 | 0 | 116.3 | | |
| 420 | L | 37.3 | Very low | 37.2 | Very low | 167 Ų | 167 | 136.6 Ų | 136.6 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | | | trans | 54.5 | 102 | 131.2 | -57.9 | 173.2 | 0 | 0 | 0 | 122.2 | | |
| 421 | A | 36.8 | Very low | 37.1 | Very low | 99 Ų | 99 | 136.8 Ų | 136.8 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | | | | 56.3 | 112.2 | 112.4 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 422 | S | 35.4 | Very low | 37 | Very low | 133 Ų | 133 | 134.3 Ų | 134.3 | 93% | 0.93 | 80% | 0.801 | S | S | * | * | | | trans | -171.3 | 139.5 | 141.1 | -175.3 | 0 | 0 | 0 | 0 | 107.9 | | |
| 423 | G | 32.9 | Very low | 37.5 | Very low | 70 Ų | 70 | 140.8 Ų | 140.8 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | | | cis | -156.6 | -177.9 | -4.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 424 | G | 32.1 | Very low | 37.4 | Very low | 78 Ų | 78 | 144.3 Ų | 144.3 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | | | trans | -81.1 | -166.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 425 | P | 48.3 | Very low | 37.4 | Very low | 114 Ų | 114 | 140.2 Ų | 140.2 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | | | cis | -137.1 | 149.4 | 20.6 | 41 | -23.3 | 0 | 0 | 0 | 119.1 | | |
| 426 | I | 39.2 | Very low | 38 | Very low | 157 Ų | 157 | 142.6 Ų | 142.6 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | | | | 42.6 | 120.4 | 127.5 | -50.8 | 168.5 | 0 | 0 | 0 | 120.5 | | |
| 427 | L | 46.5 | Very low | 37.6 | Very low | 174 Ų | 174 | 138.7 Ų | 138.7 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | | | | -170.4 | 137.5 | 129 | -105.8 | 167.7 | 0 | 0 | 0 | 111.6 | | |
| 428 | G | 36.9 | Very low | 38.2 | Very low | 61 Ų | 61 | 136.4 Ų | 136.4 | 63% | 0.629 | 80% | 0.798 | S | S | * | * | | | trans | 72.3 | 144.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 429 | R | 40 | Very low | 38.4 | Very low | 225 Ų | 225 | 138.4 Ų | 138.4 | 85% | 0.849 | 80% | 0.801 | S | S | * | * | | | cis | 59.2 | 138.6 | 11.9 | -52.6 | -173 | 170.6 | -110.5 | -0 | 113.6 | | |
| 430 | E | 34.8 | Very low | 38 | Very low | 168 Ų | 168 | 139.1 Ų | 139.1 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | | | cis | -120.3 | 176.8 | 26.6 | -52.3 | -52.8 | 137.2 | 0 | 0 | 116.8 | | |
| 431 | H | 36.1 | Very low | 37.8 | Very low | 162 Ų | 162 | 141 Ų | 141 | 75% | 0.75 | 80% | 0.799 | S | S | * | * | | | trans | -82.5 | 132.6 | -168.7 | -172.1 | 89.6 | 0 | 0 | 0 | 115.8 | | |
| 432 | L | 35.9 | Very low | 37.8 | Very low | 130 Ų | 130 | 144.9 Ų | 144.9 | 68% | 0.681 | 80% | 0.8 | S | S | * | * | | | trans | 49.5 | 138.2 | 138 | -146.5 | 88.6 | 0 | 0 | 0 | 122.3 | | |
| 433 | R | 39.5 | Very low | 37.9 | Very low | 213 Ų | 213 | 142.9 Ų | 142.9 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | trans | 87.2 | 90.3 | 146.3 | -164.7 | -154 | -51.4 | -147 | 1.6 | 119.3 | | |
| 434 | E | 29.6 | Very low | 38.3 | Very low | 184 Ų | 184 | 148.7 Ų | 148.7 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | | | | -161 | 151.8 | 128.1 | -121.4 | 178.8 | 144.6 | 0 | 0 | 113.8 | | |
| 435 | L | 36.6 | Very low | 39 | Very low | 164 Ų | 164 | 149.7 Ų | 149.7 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | | | trans | -154.1 | 154.2 | 164.9 | -75.4 | -178.4 | 0 | 0 | 0 | 106.9 | | |
| 436 | P | 42.2 | Very low | 39.2 | Very low | 121 Ų | 121 | 147.8 Ų | 147.8 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | | | cis | -121.7 | 164.7 | -1 | 40 | -27.3 | 0 | 0 | 0 | 113.8 | | |
| 437 | A | 34.1 | Very low | 40 | Very low | 92 Ų | 92 | 148.8 Ų | 148.8 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | | | trans | -122.9 | 127.4 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | V439 | A437-V439 PolarHBondContact O-N 3.29Š|
| 438 | V | 45.3 | Very low | 40.6 | Very low | 148 Ų | 148 | 146.3 Ų | 146.3 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | | | trans | -76.6 | 118.1 | 179.2 | 176.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 439 | V | 41.7 | Very low | 41.8 | Very low | 130 Ų | 130 | 149.4 Ų | 149.4 | 79% | 0.788 | 80% | 0.799 | S | S | * | * | | | trans | -119.1 | 140.6 | 168.4 | -177.5 | 0 | 0 | 0 | 0 | 108.9 | A437 | A437-V439 PolarHBondContact O-N 3.29Š|
| 440 | V | 36.1 | Very low | 43.4 | Very low | 131 Ų | 131 | 146.1 Ų | 146.1 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | | | trans | -64.2 | 142.6 | -172.4 | 177.8 | 0 | 0 | 0 | 0 | 111.4 | E442 | V440-E442 PolarHBondContact O-N 3.28Š|
| 441 | Y | 33 | Very low | 44.9 | Very low | 206 Ų | 206 | 148.3 Ų | 148.3 | 81% | 0.808 | 79% | 0.794 | S | S | * | * | | | trans | -73.9 | 88.5 | 176.8 | -165.9 | -84.6 | 0 | 0 | 0 | 110.8 | S443 | Y441-S443 WeakPolarHBondContact CE1-OG 3.07Å; Y441-S443 PolarHBondContact O-N 3.01Å |
| 442 | E | 38.6 | Very low | 46.3 | Very low | 181 Ų | 181 | 146.9 Ų | 146.9 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | | | trans | -82.6 | 106.8 | 166.5 | -170.2 | 169 | -173.9 | 0 | 0 | 109.3 | V440 Q444 | V440-E442 PolarHBondContact O-N 3.28Å; E442-Q444 PolarHBondContact O-N 2.75Å |
| 443 | S | 36.8 | Very low | 47.7 | Very low | 91 Ų | 91 | 147.8 Ų | 147.8 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 118.2 | -177.2 | -63.8 | 0 | 0 | 0 | 0 | 111.7 | Y441 | Y441-S443 WeakPolarHBondContact CE1-OG 3.07Å; Y441-S443 PolarHBondContact O-N 3.01Å |
| 444 | Q | 41.9 | Very low | 49 | Very low | 192 Ų | 192 | 144.8 Ų | 144.8 | 90% | 0.897 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 150.8 | 172.3 | -72.2 | -171.6 | -3.1 | 0 | 0 | 112.3 | E442 | E442-Q444 PolarHBondContact O-N 2.75Š|
| 445 | A | 46.9 | Very low | 50.7 | Low | 100 Ų | 100 | 142.6 Ų | 142.6 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 150.9 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 446 | G | 50.4 | Low | 52.2 | Low | 74 Ų | 74 | 141.9 Ų | 141.9 | 76% | 0.763 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 148.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 447 | Q | 56.9 | Low | 53.2 | Low | 178 Ų | 178 | 144.7 Ų | 144.7 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 133.7 | 171.7 | -68.3 | -81.4 | -61.3 | 0 | 0 | 111.1 | V449 | Q447-V449 PolarHBondContact O-N 2.87Š|
| 448 | P | 58.6 | Low | 54.8 | Low | 122 Ų | 122 | 147.5 Ų | 147.5 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | | | trans | -73.1 | 112.8 | 173.9 | 29.3 | -32.9 | 0 | 0 | 0 | 110.6 | Q450 | P448-Q450 PolarHBondContact O-N 3.38Å; P448-Q450 VanDerWaalsContact O-N 3.12Å |
| 449 | V | 62.7 | Low | 55.7 | Low | 126 Ų | 126 | 148.1 Ų | 148.1 | 76% | 0.764 | 76% | 0.757 | S | S | * | * | | | trans | -75.4 | 102 | 178.6 | -179.9 | 0 | 0 | 0 | 0 | 110 | Q447 R451 | Q447-V449 PolarHBondContact O-N 2.87Å; V449-R451 HydrophobicContact CG1-CG 4.23Å; V449-R451 PolarHBondContact O-N 3.29Å |
| 450 | Q | 72.8 | Confident | 56.8 | Low | 155 Ų | 155 | 149 Ų | 149 | 72% | 0.724 | 75% | 0.752 | S | S | * | * | | | trans | -73 | 85 | 177.7 | -170.1 | -179.1 | -5.4 | 0 | 0 | 111.5 | P448 H452 | P448-Q450 PolarHBondContact O-N 3.38Å; P448-Q450 VanDerWaalsContact O-N 3.12Å; Q450-H452 PolarHBondContact NE2-CE1 3.12Å; Q450-H452 VanDerWaalsContact NE2-CE1 3.35Å; Q450-H452 PolarHBondContact O-N 2.75Å; Q450-H452 PolarHBondContact O-ND1 3.26Å |
| 451 | R | 66.8 | Low | 58 | Low | 215 Ų | 215 | 149.4 Ų | 149.4 | 81% | 0.811 | 75% | 0.745 | S | S | * | * | | | trans | -68 | 117.2 | 172.7 | -54.4 | -171.7 | 78.2 | -114.8 | 0.9 | 109 | V449 | V449-R451 HydrophobicContact CG1-CG 4.23Å; V449-R451 PolarHBondContact O-N 3.29Å |
| 452 | H | 64.9 | Low | 59.5 | Low | 131 Ų | 131 | 147.5 Ų | 147.5 | 61% | 0.606 | 74% | 0.743 | S | S | * | * | | | trans | -85.4 | 140.9 | 171 | -74.7 | 69.7 | 0 | 0 | 0 | 109.7 | Q450 | Q450-H452 PolarHBondContact NE2-CE1 3.12Å; Q450-H452 VanDerWaalsContact NE2-CE1 3.35Å; Q450-H452 PolarHBondContact O-N 2.75Å; Q450-H452 PolarHBondContact O-ND1 3.26Å |
| 453 | E | 66.8 | Low | 60.6 | Low | 150 Ų | 150 | 146.7 Ų | 146.7 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | | | trans | -118 | 119.9 | -173.6 | -166.2 | 168.5 | 139.1 | 0 | 0 | 110 | H455 | E453-H455 IonicContact OE1-CE1 2.69Å; E453-H455 PolarHBondContact OE1-CE1 3.37Å; E453-H455 IonicContact OE1-NE2 3.68Å |
| 454 | H | 67.2 | Low | 61.5 | Low | 149 Ų | 149 | 152.1 Ų | 152.1 | 69% | 0.69 | 75% | 0.747 | S | S | * | * | | | trans | -106.9 | 103.2 | -173.7 | -66.8 | -83.6 | 0 | 0 | 0 | 110 | H456 | H454-H456 PolarHBondContact O-CD2 3.3Š|
| 455 | H | 65 | Low | 62.5 | Low | 138 Ų | 138 | 150.6 Ų | 150.6 | 64% | 0.639 | 74% | 0.74 | S | S | * | * | | | trans | -81.2 | 125.1 | 175.1 | -76.8 | 70.2 | 0 | 0 | 0 | 110.4 | E453 | E453-H455 IonicContact OE1-CE1 2.69Å; E453-H455 PolarHBondContact OE1-CE1 3.37Å; E453-H455 IonicContact OE1-NE2 3.68Å |
| 456 | H | 66.6 | Low | 63.1 | Low | 150 Ų | 150 | 153.2 Ų | 153.2 | 69% | 0.694 | 73% | 0.734 | S | S | * | * | | | trans | -108.8 | 95.3 | 177.4 | -71.1 | -85.4 | 0 | 0 | 0 | 110.8 | H454 H458 | H454-H456 PolarHBondContact O-CD2 3.3Å; H456-H458 PolarHBondContact O-ND1 3.03Å; H456-H458 VanDerWaalsContact O-ND1 3.08Å |
| 457 | H | 64.3 | Low | 63.3 | Low | 179 Ų | 179 | 159.2 Ų | 159.2 | 83% | 0.829 | 74% | 0.74 | S | S | * | * | | | trans | -70.5 | 134.2 | 170.6 | -63.3 | -31.7 | 0 | 0 | 0 | 110.6 | | |
| 458 | H | 67.2 | Low | 63.1 | Low | 152 Ų | 152 | 160.6 Ų | 160.6 | 70% | 0.704 | 74% | 0.739 | S | S | * | * | | | trans | -114.3 | 128.8 | 174.6 | -71.4 | 68.7 | 0 | 0 | 0 | 108.2 | H456 | H456-H458 PolarHBondContact O-ND1 3.03Å; H456-H458 VanDerWaalsContact O-ND1 3.08Å |
| 459 | E | 64 | Low | 63.1 | Low | 161 Ų | 161 | 164.2 Ų | 164.2 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | | | trans | -103.8 | 128.1 | 178.7 | -168.5 | 174.9 | 165.1 | 0 | 0 | 109.6 | H461 | E459-H461 IonicContact OE1-CE1 3.14Å; E459-H461 PolarHBondContact OE1-CE1 2.77Å; E459-H461 IonicContact OE1-ND1 3.47Å |
| 460 | H | 65.4 | Low | 62.6 | Low | 149 Ų | 149 | 167.8 Ų | 167.8 | 69% | 0.69 | 77% | 0.768 | S | S | * | * | | | trans | -106.3 | 104.8 | -176.4 | -68.9 | -79.7 | 0 | 0 | 0 | 110.7 | H462 | H460-H462 PolarHBondContact O-N 3.19Š|
| 461 | H | 61.1 | Low | 62.1 | Low | 138 Ų | 138 | 168.5 Ų | 168.5 | 64% | 0.639 | 77% | 0.77 | S | S | * | * | | | trans | -85.2 | 100.9 | 178.2 | -61 | -44.9 | 0 | 0 | 0 | 112.1 | E459 H463 | E459-H461 IonicContact OE1-CE1 3.14Å; E459-H461 PolarHBondContact OE1-CE1 2.77Å; E459-H461 IonicContact OE1-ND1 3.47Å; H461-H463 PolarHBondContact O-N 3.09Å; H461-H463 PolarHBondContact O-ND1 3.05Å |
| 462 | H | 65.6 | Low | 61.8 | Low | 166 Ų | 166 | 166 Ų | 166 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | | | trans | -70.3 | 121.8 | 173.8 | -62.1 | -77.5 | 0 | 0 | 0 | 111.7 | H460 | H460-H462 PolarHBondContact O-N 3.19Š|
| 463 | H | 60.4 | Low | 61.7 | Low | 164 Ų | 164 | 167.9 Ų | 167.9 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | | | trans | -90.8 | 116.4 | 172.1 | -77.7 | 62.3 | 0 | 0 | 0 | 110.3 | H461 | H461-H463 PolarHBondContact O-N 3.09Å; H461-H463 PolarHBondContact O-ND1 3.05Å |
| 464 | Y | 56.7 | Low | 61.4 | Low | 206 Ų | 206 | 169 Ų | 169 | 81% | 0.808 | 78% | 0.781 | S | S | * | * | | | trans | -85 | 116 | 172.5 | -89.3 | -92.8 | 0 | 0 | 0 | 110.8 | | |
| 465 | H | 62.8 | Low | 61 | Low | 160 Ų | 160 | 170.3 Ų | 170.3 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | | | trans | -86.2 | 108.8 | 168.2 | -80.2 | -89.6 | 0 | 0 | 0 | 110.4 | F467 | H465-F467 HydrophobicContact CB-CE2 4.5Å; H465-F467 PolarHBondContact O-N 3.2Å |
| 466 | H | 58.2 | Low | 60.7 | Low | 155 Ų | 155 | 172.4 Ų | 172.4 | 72% | 0.718 | 80% | 0.797 | S | S | * | * | | | trans | -76.6 | 108.6 | 167.5 | -72.3 | -83.1 | 0 | 0 | 0 | 110 | Y468 | H466-Y468 HydrophobicContact CB-CE2 4.46Å; H466-Y468 PolarHBondContact O-N 3.22Å |
| 467 | F | 55.3 | Low | 60.3 | Low | 200 Ų | 200 | 174 Ų | 174 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 116.9 | 164.4 | -80.6 | -89.9 | 0 | 0 | 0 | 109.4 | H465 | H465-F467 HydrophobicContact CB-CE2 4.5Å; H465-F467 PolarHBondContact O-N 3.2Å |
| 468 | Y | 53.8 | Low | 60 | Low | 206 Ų | 206 | 173.6 Ų | 173.6 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 125.9 | 162.8 | -75.8 | -90.9 | 0 | 0 | 0 | 108.4 | H466 | H466-Y468 HydrophobicContact CB-CE2 4.46Å; H466-Y468 PolarHBondContact O-N 3.22Å |
| 469 | Q | 56.8 | Low | 59.4 | Low | 198 Ų | 198 | 175.4 Ų | 175.4 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -93 | 128.3 | 175.1 | -166.9 | 165.5 | 19.3 | 0 | 0 | 109.3 | | |
| 470 | T | 52.8 | Low | 59 | Low | 202 Ų | 202 | 176.7 Ų | 176.7 | 100% | 1.239 | 82% | 0.816 | S | S | * | * | | | trans | -124.4 | 0 | 178.4 | 57.3 | 0 | 0 | 0 | 0 | 109.7 | | |