| 1 | M | 44.5 | Very low | 50.1 | Low | 248 Ų | 248 | 179.2 Ų | 179.2 | 100% | 1.222 | 86% | 0.864 | S | S | * | * | | | | 0 | 96.3 | 0 | -77.4 | 170 | 175.4 | 0 | 0 | 108.2 | | |
| 2 | L | 46.3 | Very low | 49.5 | Very low | 161 Ų | 161 | 179.6 Ų | 179.6 | 84% | 0.843 | 87% | 0.867 | S | S | * | * | | | trans | -75 | 132 | 165.5 | -107.5 | 71 | 0 | 0 | 0 | 107.5 | | |
| 3 | W | 46.9 | Very low | 49.3 | Very low | 257 Ų | 257 | 172.8 Ų | 172.8 | 97% | 0.973 | 85% | 0.85 | S | S | * | * | | | trans | -160.8 | 109.5 | 134.7 | -109.5 | 25 | 0 | 0 | 0 | 110 | | |
| 4 | S | 45.5 | Very low | 49.3 | Very low | 106 Ų | 106 | 173.9 Ų | 173.9 | 74% | 0.741 | 85% | 0.852 | S | S | * | * | | | trans | -60.6 | 127.7 | 175 | -53 | 0 | 0 | 0 | 0 | 110.5 | T6 | S4-T6 PolarHBondContact O-N 3.45Š|
| 5 | K | 51.1 | Low | 49 | Very low | 194 Ų | 194 | 176.6 Ų | 176.6 | 84% | 0.843 | 85% | 0.849 | S | S | * | * | | | trans | -72.2 | 106.4 | 164.5 | -81.9 | 175.9 | 175.9 | 175.6 | 0 | 108.5 | H7 | K5-H7 PolarHBondContact O-N 3.19Å; K5-H7 PolarHBondContact O-ND1 3.36Å |
| 6 | T | 57.4 | Low | 48.7 | Very low | 123 Ų | 123 | 172.5 Ų | 172.5 | 76% | 0.755 | 84% | 0.841 | S | S | * | * | | | trans | -58 | 121.9 | 171.1 | 39.9 | 0 | 0 | 0 | 0 | 109.9 | S4 V8 | S4-T6 PolarHBondContact O-N 3.45Å; T6-V8 PolarHBondContact O-N 3.14Å |
| 7 | H | 51.7 | Low | 48.5 | Very low | 176 Ų | 176 | 170.8 Ų | 170.8 | 82% | 0.815 | 84% | 0.843 | S | S | * | * | | | trans | -73.9 | 112.2 | 168.5 | -75.7 | 55 | 0 | 0 | 0 | 108 | K5 N9 | K5-H7 PolarHBondContact O-N 3.19Å; K5-H7 PolarHBondContact O-ND1 3.36Å; H7-N9 PolarHBondContact O-N 3.34Å; H7-N9 VanDerWaalsContact O-N 3.14Å |
| 8 | V | 53.6 | Low | 48.6 | Very low | 131 Ų | 131 | 171.4 Ų | 171.4 | 79% | 0.794 | 84% | 0.844 | S | S | * | * | | | trans | -78.7 | 97.8 | 168.8 | 174 | 0 | 0 | 0 | 0 | 107.9 | T6 K10 | T6-V8 PolarHBondContact O-N 3.14Å; V8-K10 PolarHBondContact O-N 3.07Å |
| 9 | N | 43.9 | Very low | 48.6 | Very low | 144 Ų | 144 | 166.9 Ų | 166.9 | 77% | 0.77 | 84% | 0.837 | S | S | * | * | | | trans | -57.8 | 103.2 | 164.7 | -92.2 | -19.4 | 0 | 0 | 0 | 109.7 | H7 | H7-N9 PolarHBondContact O-N 3.34Å; H7-N9 VanDerWaalsContact O-N 3.14Å |
| 10 | K | 57.9 | Low | 48.5 | Very low | 206 Ų | 206 | 170.3 Ų | 170.3 | 90% | 0.896 | 84% | 0.839 | S | S | * | * | | | trans | -98.8 | 65.2 | 164.8 | -164 | 168.6 | -177.4 | 175.3 | 0 | 109.6 | V8 | V8-K10 PolarHBondContact O-N 3.07Š|
| 11 | R | 52.3 | Low | 48.7 | Very low | 225 Ų | 225 | 171.8 Ų | 171.8 | 85% | 0.849 | 84% | 0.844 | S | S | * | * | | | trans | -101.9 | 125.5 | 150.9 | -70.1 | -168 | -155.1 | -155.4 | 5.6 | 105.8 | | |
| 12 | M | 43.1 | Very low | 48.9 | Very low | 184 Ų | 184 | 167.8 Ų | 167.8 | 91% | 0.906 | 82% | 0.824 | S | S | * | * | | | | 172.2 | 140 | 128 | -90 | -173.6 | 87.2 | 0 | 0 | 111.5 | | |
| 13 | S | 46.9 | Very low | 48.9 | Very low | 91 Ų | 91 | 165.4 Ų | 165.4 | 64% | 0.636 | 81% | 0.813 | S | S | * | * | | | trans | 79 | 88.6 | 159.4 | -142.3 | 0 | 0 | 0 | 0 | 117.3 | R15 | S13-R15 PolarHBondContact O-N 3.34Š|
| 14 | Q | 48.4 | Very low | 48.9 | Very low | 189 Ų | 189 | 157 Ų | 157 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | | | trans | -39.8 | 124.8 | 130.9 | -65.5 | 175.9 | -6 | 0 | 0 | 109.6 | | |
| 15 | R | 45.5 | Very low | 48.8 | Very low | 214 Ų | 214 | 157.6 Ų | 157.6 | 81% | 0.808 | 80% | 0.796 | S | S | * | * | | | trans | -131.7 | 111.9 | 142.5 | -72.8 | -169.8 | -167.5 | -169.4 | 4.1 | 105.1 | S13 T17 | S13-R15 PolarHBondContact O-N 3.34Å; R15-T17 PolarHBondContact O-N 3.49Å |
| 16 | P | 44.7 | Very low | 48.7 | Very low | 111 Ų | 111 | 153.6 Ų | 153.6 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | | | trans | -62.5 | 123.4 | 160.4 | 26.8 | -28.5 | 0 | 0 | 0 | 105.9 | Q18 | P16-Q18 PolarHBondContact O-N 3.25Š|
| 17 | T | 44.5 | Very low | 48.5 | Very low | 144 Ų | 144 | 154.9 Ų | 154.9 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | | | trans | -68.3 | 72.9 | 167.3 | 45 | 0 | 0 | 0 | 0 | 108.3 | R15 A19 | R15-T17 PolarHBondContact O-N 3.49Å; T17-A19 PolarHBondContact O-N 3.33Å |
| 18 | Q | 50.5 | Low | 48.4 | Very low | 182 Ų | 182 | 151.2 Ų | 151.2 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | | | trans | -83.8 | 87.1 | 165.4 | -175.9 | -178.1 | 54.3 | 0 | 0 | 106.4 | P16 | P16-Q18 PolarHBondContact O-N 3.25Š|
| 19 | A | 49.4 | Very low | 48.4 | Very low | 86 Ų | 86 | 152.3 Ų | 152.3 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | | | trans | 174.2 | 63.7 | 158.5 | 0 | 0 | 0 | 0 | 0 | 110 | T17 | T17-A19 PolarHBondContact O-N 3.33Š|
| 20 | R | 46.7 | Very low | 49.5 | Very low | 234 Ų | 234 | 146.5 Ų | 146.5 | 88% | 0.883 | 75% | 0.747 | S | S | * | * | | | trans | -141 | 40.3 | 150.1 | -155.1 | 179.7 | 174.3 | -171.4 | -3 | 111 | | |
| 21 | E | 50.8 | Low | 50.8 | Low | 201 Ų | 201 | 140 Ų | 140 | 94% | 0.939 | 72% | 0.722 | S | S | * | * | | | trans | -97.2 | 59.5 | 152.7 | -67.8 | -178 | -179.8 | 0 | 0 | 106.6 | | |
| 22 | M | 50.6 | Low | 52.8 | Low | 164 Ų | 164 | 137.3 Ų | 137.3 | 81% | 0.808 | 71% | 0.713 | S | S | * | * | | | trans | -94.8 | 105.3 | 165.8 | -68.6 | -176.9 | 73.1 | 0 | 0 | 106 | | |
| 23 | N | 44.8 | Very low | 55.1 | Low | 112 Ų | 112 | 136.3 Ų | 136.3 | 60% | 0.599 | 70% | 0.704 | S | S | * | * | | | trans | 87.9 | 85.3 | 153.2 | -138.2 | 19.2 | 0 | 0 | 0 | 115.5 | Q25 | N23-Q25 HydrophobicContact CB-CB 4.37Å; N23-Q25 WeakPolarHBondContact ND2-CB 3.42Å; N23-Q25 PolarHBondContact ND2-OE1 2.76Å; N23-Q25 PolarHBondContact O-N 2.93Å |
| 24 | G | 48 | Very low | 57.4 | Low | 80 Ų | 80 | 139.7 Ų | 139.7 | 83% | 0.825 | 70% | 0.702 | S | S | * | * | | | trans | -63.1 | 62.7 | 148.6 | 0 | 0 | 0 | 0 | 0 | 111 | T26 | G24-T26 VanDerWaalsContact C-N 3.35Š|
| 25 | Q | 43.4 | Very low | 59.7 | Low | 118 Ų | 118 | 136.5 Ų | 136.5 | 55% | 0.551 | 69% | 0.685 | S | S | * | * | | | trans | -105.6 | 33.5 | 169.1 | -164.3 | 171.1 | -20.3 | 0 | 0 | 109.4 | N23 D27 | N23-Q25 HydrophobicContact CB-CB 4.37Å; N23-Q25 WeakPolarHBondContact ND2-CB 3.42Å; N23-Q25 PolarHBondContact ND2-OE1 2.76Å; N23-Q25 PolarHBondContact O-N 2.93Å; Q25-D27 VanDerWaalsContact C-N 3.34Å |
| 26 | T | 49.4 | Very low | 62.1 | Low | 110 Ų | 110 | 133.4 Ų | 133.4 | 68% | 0.675 | 68% | 0.675 | S | S | * | * | | | trans | -85.4 | -8.7 | 175.6 | 43.1 | 0 | 0 | 0 | 0 | 112.6 | G24 V28 | G24-T26 VanDerWaalsContact C-N 3.35Å; T26-V28 VanDerWaalsContact C-N 3.28Å; T26-V28 PolarHBondContact O-N 2.95Å |
| 27 | D | 51.8 | Low | 64.6 | Low | 150 Ų | 150 | 134.5 Ų | 134.5 | 80% | 0.802 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -75.3 | -17.7 | 175.1 | -164.7 | 34.9 | 0 | 0 | 0 | 112.8 | Q25 | Q25-D27 VanDerWaalsContact C-N 3.34Š|
| 28 | V | 50.8 | Low | 67.1 | Low | 99 Ų | 99 | 130.3 Ų | 130.3 | 60% | 0.6 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -116.4 | -4.6 | -179.7 | -169.5 | 0 | 0 | 0 | 0 | 113 | T26 V30 | T26-V28 VanDerWaalsContact C-N 3.28Å; T26-V28 PolarHBondContact O-N 2.95Å; V28-V30 PolarHBondContact O-N 3.03Å |
| 29 | E | 53.3 | Low | 69.4 | Low | 154 Ų | 154 | 127.2 Ų | 127.2 | 72% | 0.72 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -72.7 | 66.8 | 149.7 | -167.9 | 162.8 | -160.7 | 0 | 0 | 107.4 | D31 | E29-D31 PolarHBondContact O-N 3.46Š|
| 30 | V | 67.4 | Low | 71.7 | Confident | 23 Ų | 23 | 128.2 Ų | 128.2 | 14% | 0.139 | 62% | 0.618 | C | S | . | * | | | trans | -39.7 | 119.5 | 169 | 162.8 | 0 | 0 | 0 | 0 | 106.4 | V28 Y32 K35 | V28-V30 PolarHBondContact O-N 3.03Å; V30-Y32 HydrophobicContact CB-CD1 4.19Å; V30-Y32 HydrophobicContact CB-CD2 3.98Å; V30-Y32 HydrophobicContact CB-CE1 3.85Å; V30-Y32 HydrophobicContact CB-CE2 3.62Å; V30-Y32 HydrophobicContact CB-CG 4.23Å; V30-Y32 HydrophobicContact CG1-CD1 3.45Å; V30-Y32 VanDerWaalsContact CG1-CD1 3.45Å; V30-Y32 HydrophobicContact CG1-CD2 3.98Å; V30-Y32 HydrophobicContact CG1-CE1 3.46Å; V30-Y32 VanDerWaalsContact CG1-CE1 3.46Å; V30-Y32 HydrophobicContact CG1-CE2 3.99Å; V30-Y32 HydrophobicContact CG1-CG 3.7Å; V30-Y32 WeakPolarHBondContact O-CD2 3.45Å; V30-Y32 WeakPolarHBondContact O-CE2 3.15Å; V30-Y32 PolarHBondContact O-N 3.34Å; V30-K35 HydrophobicContact CG1-CD 3.32Å; V30-K35 HydrophobicContact CG1-CG 3.99Å |
| 31 | D | 83.6 | Confident | 74.2 | Confident | 70 Ų | 70 | 123.1 Ų | 123.1 | 37% | 0.374 | 60% | 0.598 | S | S | . | * | | | trans | -65.9 | 77.9 | 171.7 | -175 | -10.7 | 0 | 0 | 0 | 107.2 | E29 K33 R34 K35 | E29-D31 PolarHBondContact O-N 3.46Å; D31-K33 PolarHBondContact O-N 2.84Å; D31-R34 HydrophobicContact CB-CB 3.85Å; D31-R34 CarbonylContact O-C 3.56Å; D31-R34 WeakPolarHBondContact O-CA 3.42Å; D31-R34 WeakPolarHBondContact O-CB 3.44Å; D31-R34 PolarHBondContact O-N 2.9Å; D31-R34 WeakPolarHBondContact OD1-CB 3.44Å; D31-R34 PolarHBondContact OD1-N 2.96Å; D31-R34 WeakPolarHBondContact OD2-CB 3.46Å; D31-R34 IonicContact OD2-CZ 2.59Å; D31-R34 IonicContact OD2-NE 3.77Å; D31-R34 PolarHBondContact OD2-NE 2.88Å; D31-R34 IonicContact OD2-NH2 3.41Å; D31-R34 PolarHBondContact OD2-NH2 3.03Å; D31-K35 PolarHBondContact O-N 2.99Å |
| 32 | Y | 94.6 | Very high | 76.4 | Confident | 167 Ų | 167 | 120.1 Ų | 120.1 | 66% | 0.655 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -61.5 | -30.5 | -172.8 | -74.8 | -74.8 | 0 | 0 | 0 | 109.3 | V30 K35 Y36 | V30-Y32 HydrophobicContact CB-CD1 4.19Å; V30-Y32 HydrophobicContact CB-CD2 3.98Å; V30-Y32 HydrophobicContact CB-CE1 3.85Å; V30-Y32 HydrophobicContact CB-CE2 3.62Å; V30-Y32 HydrophobicContact CB-CG 4.23Å; V30-Y32 HydrophobicContact CG1-CD1 3.45Å; V30-Y32 VanDerWaalsContact CG1-CD1 3.45Å; V30-Y32 HydrophobicContact CG1-CD2 3.98Å; V30-Y32 HydrophobicContact CG1-CE1 3.46Å; V30-Y32 VanDerWaalsContact CG1-CE1 3.46Å; V30-Y32 HydrophobicContact CG1-CE2 3.99Å; V30-Y32 HydrophobicContact CG1-CG 3.7Å; V30-Y32 WeakPolarHBondContact O-CD2 3.45Å; V30-Y32 WeakPolarHBondContact O-CE2 3.15Å; V30-Y32 PolarHBondContact O-N 3.34Å; Y32-K35 PolarHBondContact O-N 3.21Å; Y32-Y36 WeakPolarHBondContact O-CB 3.18Å; Y32-Y36 PolarHBondContact O-N 3.49Å |
| 33 | K | 91.9 | Very high | 78.7 | Confident | 164 Ų | 164 | 117.3 Ų | 117.3 | 71% | 0.713 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.2 | -48.1 | 172.3 | -163 | 173.4 | -176.4 | 178.5 | 0 | 110.9 | D31 K37 | D31-K33 PolarHBondContact O-N 2.84Å; K33-K37 WeakPolarHBondContact O-CG 3.46Å; K33-K37 PolarHBondContact O-N 2.82Å |
| 34 | R | 95.4 | Very high | 81.2 | Confident | 161 Ų | 161 | 118.9 Ų | 118.9 | 61% | 0.608 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -65.7 | -42.8 | 173.9 | -177.8 | -169.8 | -55.8 | -138.6 | 1.1 | 112.9 | D31 Y36 K37 N38 | D31-R34 HydrophobicContact CB-CB 3.85Å; D31-R34 CarbonylContact O-C 3.56Å; D31-R34 WeakPolarHBondContact O-CA 3.42Å; D31-R34 WeakPolarHBondContact O-CB 3.44Å; D31-R34 PolarHBondContact O-N 2.9Å; D31-R34 WeakPolarHBondContact OD1-CB 3.44Å; D31-R34 PolarHBondContact OD1-N 2.96Å; D31-R34 WeakPolarHBondContact OD2-CB 3.46Å; D31-R34 IonicContact OD2-CZ 2.59Å; D31-R34 IonicContact OD2-NE 3.77Å; D31-R34 PolarHBondContact OD2-NE 2.88Å; D31-R34 IonicContact OD2-NH2 3.41Å; D31-R34 PolarHBondContact OD2-NH2 3.03Å; R34-Y36 VanDerWaalsContact C-N 3.33Å; R34-Y36 PolarHBondContact O-N 2.62Å; R34-K37 PolarHBondContact O-N 2.81Å; R34-N38 PolarHBondContact O-N 2.99Å; R34-N38 PolarHBondContact O-ND2 2.97Å |
| 35 | K | 95.7 | Very high | 83.6 | Confident | 122 Ų | 122 | 121.7 Ų | 121.7 | 53% | 0.53 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.9 | -42.4 | 176.7 | -70.8 | -162.1 | -175.1 | 163.6 | 0 | 111.2 | V30 D31 Y32 N38 L39 | V30-K35 HydrophobicContact CG1-CD 3.32Å; V30-K35 HydrophobicContact CG1-CG 3.99Å; D31-K35 PolarHBondContact O-N 2.99Å; Y32-K35 PolarHBondContact O-N 3.21Å; K35-N38 PolarHBondContact O-N 2.96Å; K35-L39 WeakPolarHBondContact O-CB 3.33Å; K35-L39 PolarHBondContact O-N 3.03Å |
| 36 | Y | 96.6 | Very high | 86.3 | Confident | 149 Ų | 149 | 121 Ų | 121 | 58% | 0.584 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61 | -48.4 | 174.3 | 174.2 | -99.1 | 0 | 0 | 0 | 112.1 | Y32 R34 N38 L39 K40 | Y32-Y36 WeakPolarHBondContact O-CB 3.18Å; Y32-Y36 PolarHBondContact O-N 3.49Å; R34-Y36 VanDerWaalsContact C-N 3.33Å; R34-Y36 PolarHBondContact O-N 2.62Å; Y36-N38 VanDerWaalsContact C-N 3.3Å; Y36-N38 PolarHBondContact O-N 3.38Å; Y36-L39 PolarHBondContact O-N 3.47Å; Y36-K40 HydrophobicContact CE1-CD 4.27Å; Y36-K40 WeakPolarHBondContact O-CB 3.37Å; Y36-K40 PolarHBondContact O-N 2.72Å |
| 37 | K | 97.4 | Very high | 88.6 | Confident | 134 Ų | 134 | 119 Ų | 119 | 58% | 0.583 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -59.7 | -40.1 | 177.4 | -71.3 | -178.1 | 83 | 175.3 | 0 | 112 | K33 R34 R41 | K33-K37 WeakPolarHBondContact O-CG 3.46Å; K33-K37 PolarHBondContact O-N 2.82Å; R34-K37 PolarHBondContact O-N 2.81Å; K37-R41 PolarHBondContact O-N 3.09Å; K37-R41 VanDerWaalsContact O-N 3.11Å |
| 38 | N | 97 | Very high | 90.8 | Very high | 56 Ų | 56 | 119.3 Ų | 119.3 | 30% | 0.299 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.3 | -46.5 | 175.2 | -82.3 | -63.4 | 0 | 0 | 0 | 112.2 | R34 K35 Y36 K40 R41 K42 | R34-N38 PolarHBondContact O-N 2.99Å; R34-N38 PolarHBondContact O-ND2 2.97Å; K35-N38 PolarHBondContact O-N 2.96Å; Y36-N38 VanDerWaalsContact C-N 3.3Å; Y36-N38 PolarHBondContact O-N 3.38Å; N38-K40 VanDerWaalsContact C-N 3.33Å; N38-K40 PolarHBondContact O-N 3.39Å; N38-R41 PolarHBondContact O-N 3.35Å; N38-R41 VanDerWaalsContact OD1-CZ 3.28Å; N38-R41 PolarHBondContact OD1-NH1 3.11Å; N38-R41 PolarHBondContact OD1-NH2 3.4Å; N38-K42 WeakPolarHBondContact O-CG 3.08Å; N38-K42 PolarHBondContact O-N 3.28Å |
| 39 | L | 98.3 | Very high | 93.1 | Very high | 117 Ų | 117 | 119.1 Ų | 119.1 | 61% | 0.613 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.8 | -41.4 | 178.8 | -173.1 | 61.9 | 0 | 0 | 0 | 111.3 | K35 Y36 R41 K42 L43 | K35-L39 WeakPolarHBondContact O-CB 3.33Å; K35-L39 PolarHBondContact O-N 3.03Å; Y36-L39 PolarHBondContact O-N 3.47Å; L39-R41 VanDerWaalsContact C-N 3.34Å; L39-R41 PolarHBondContact O-N 3.2Å; L39-K42 PolarHBondContact O-N 2.9Å; L39-L43 VanDerWaalsContact O-CB 3.31Å; L39-L43 WeakPolarHBondContact O-CB 3.45Å; L39-L43 PolarHBondContact O-N 2.8Å |
| 40 | K | 98.1 | Very high | 95.2 | Very high | 108 Ų | 108 | 115.9 Ų | 115.9 | 47% | 0.47 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.8 | -43.5 | 173.7 | -177.4 | 177 | 179.5 | 175.1 | 0 | 111.9 | Y36 N38 K44 | Y36-K40 HydrophobicContact CE1-CD 4.27Å; Y36-K40 WeakPolarHBondContact O-CB 3.37Å; Y36-K40 PolarHBondContact O-N 2.72Å; N38-K40 VanDerWaalsContact C-N 3.33Å; N38-K40 PolarHBondContact O-N 3.39Å; K40-K44 WeakPolarHBondContact O-CG 3.4Å; K40-K44 PolarHBondContact O-N 3.44Å; K40-K44 VanDerWaalsContact O-N 3.1Å |
| 41 | R | 98.5 | Very high | 96.7 | Very high | 127 Ų | 127 | 120.1 Ų | 120.1 | 48% | 0.479 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.9 | -50.2 | 174.6 | -80.4 | -171.1 | -90.4 | 100.2 | -1.9 | 111.3 | K37 N38 L39 L43 K44 F45 | K37-R41 PolarHBondContact O-N 3.09Å; K37-R41 VanDerWaalsContact O-N 3.11Å; N38-R41 PolarHBondContact O-N 3.35Å; N38-R41 VanDerWaalsContact OD1-CZ 3.28Å; N38-R41 PolarHBondContact OD1-NH1 3.11Å; N38-R41 PolarHBondContact OD1-NH2 3.4Å; L39-R41 VanDerWaalsContact C-N 3.34Å; L39-R41 PolarHBondContact O-N 3.2Å; R41-L43 VanDerWaalsContact C-N 3.33Å; R41-L43 PolarHBondContact O-N 3.47Å; R41-K44 WeakPolarHBondContact O-CB 3.33Å; R41-K44 PolarHBondContact O-N 3.11Å; R41-F45 WeakPolarHBondContact O-CD2 3.45Å; R41-F45 PolarHBondContact O-N 3.1Å; R41-F45 VanDerWaalsContact O-N 3.11Å |
| 42 | K | 98.1 | Very high | 97.4 | Very high | 138 Ų | 138 | 119.9 Ų | 119.9 | 60% | 0.6 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -59.1 | -42.8 | 178.4 | -71.8 | -177.3 | 177.9 | -172 | 0 | 112.2 | N38 L39 K44 F45 L46 | N38-K42 WeakPolarHBondContact O-CG 3.08Å; N38-K42 PolarHBondContact O-N 3.28Å; L39-K42 PolarHBondContact O-N 2.9Å; K42-K44 PolarHBondContact O-N 3.21Å; K42-F45 PolarHBondContact O-N 3.47Å; K42-L46 WeakPolarHBondContact O-CG 2.9Å; K42-L46 PolarHBondContact O-N 2.79Å |
| 43 | L | 98.4 | Very high | 97.6 | Very high | 104 Ų | 104 | 117.8 Ų | 117.8 | 55% | 0.545 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61 | -44.6 | 177 | -179.3 | 62 | 0 | 0 | 0 | 111.3 | L39 R41 F45 L46 V47 | L39-L43 VanDerWaalsContact O-CB 3.31Å; L39-L43 WeakPolarHBondContact O-CB 3.45Å; L39-L43 PolarHBondContact O-N 2.8Å; R41-L43 VanDerWaalsContact C-N 3.33Å; R41-L43 PolarHBondContact O-N 3.47Å; L43-F45 VanDerWaalsContact C-N 3.3Å; L43-F45 PolarHBondContact O-N 2.82Å; L43-L46 PolarHBondContact O-N 3.23Å; L43-V47 HydrophobicContact CD1-CG2 4.23Å; L43-V47 HydrophobicContact CG-CG2 4.47Å; L43-V47 WeakPolarHBondContact O-CG2 3.31Å; L43-V47 PolarHBondContact O-N 2.85Å |
| 44 | K | 98.4 | Very high | 97.9 | Very high | 146 Ų | 146 | 114.8 Ų | 114.8 | 64% | 0.635 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -57.4 | -43.4 | 175 | -78 | -171.9 | 165.2 | -162.7 | 0 | 112.2 | K40 R41 K42 Y48 | K40-K44 WeakPolarHBondContact O-CG 3.4Å; K40-K44 PolarHBondContact O-N 3.44Å; K40-K44 VanDerWaalsContact O-N 3.1Å; R41-K44 WeakPolarHBondContact O-CB 3.33Å; R41-K44 PolarHBondContact O-N 3.11Å; K42-K44 PolarHBondContact O-N 3.21Å; K44-Y48 PolarHBondContact O-N 2.78Å; K44-Y48 VanDerWaalsContact O-N 3.14Å |
| 45 | F | 98.3 | Very high | 98 | Very high | 138 Ų | 138 | 111.1 Ų | 111.1 | 61% | 0.605 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.8 | -46.3 | 176.2 | -74 | -66.9 | 0 | 0 | 0 | 112.1 | R41 K42 L43 V47 Y48 E49 | R41-F45 WeakPolarHBondContact O-CD2 3.45Å; R41-F45 PolarHBondContact O-N 3.1Å; R41-F45 VanDerWaalsContact O-N 3.11Å; K42-F45 PolarHBondContact O-N 3.47Å; L43-F45 VanDerWaalsContact C-N 3.3Å; L43-F45 PolarHBondContact O-N 2.82Å; F45-V47 VanDerWaalsContact C-N 3.34Å; F45-V47 PolarHBondContact O-N 3.35Å; F45-Y48 PolarHBondContact O-N 3.36Å; F45-E49 WeakPolarHBondContact O-CG 3.33Å; F45-E49 PolarHBondContact O-N 3.14Å |
| 46 | L | 98.6 | Very high | 98.2 | Very high | 105 Ų | 105 | 109.4 Ų | 109.4 | 55% | 0.55 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.4 | -39.9 | -179.9 | -72.1 | 174.3 | 0 | 0 | 0 | 112.6 | K42 L43 Q50 | K42-L46 WeakPolarHBondContact O-CG 2.9Å; K42-L46 PolarHBondContact O-N 2.79Å; L43-L46 PolarHBondContact O-N 3.23Å; L46-Q50 WeakPolarHBondContact O-CB 3.35Å; L46-Q50 PolarHBondContact O-N 2.95Å |
| 47 | V | 98.6 | Very high | 98.3 | Very high | 67 Ų | 67 | 107.2 Ų | 107.2 | 41% | 0.406 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62 | -48.3 | 175.3 | 171.2 | 0 | 0 | 0 | 0 | 110.1 | L43 F45 E49 Q50 E51 | L43-V47 HydrophobicContact CD1-CG2 4.23Å; L43-V47 HydrophobicContact CG-CG2 4.47Å; L43-V47 WeakPolarHBondContact O-CG2 3.31Å; L43-V47 PolarHBondContact O-N 2.85Å; F45-V47 VanDerWaalsContact C-N 3.34Å; F45-V47 PolarHBondContact O-N 3.35Å; V47-E49 PolarHBondContact O-N 3.49Å; V47-Q50 PolarHBondContact O-N 3.35Å; V47-E51 WeakPolarHBondContact O-CG 3.36Å; V47-E51 PolarHBondContact O-N 2.83Å |
| 48 | Y | 98.7 | Very high | 98.3 | Very high | 156 Ų | 156 | 106 Ų | 106 | 61% | 0.612 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.1 | -46.2 | 178.5 | 173.3 | -98.8 | 0 | 0 | 0 | 112.9 | K44 F45 Q50 E51 C52 | K44-Y48 PolarHBondContact O-N 2.78Å; K44-Y48 VanDerWaalsContact O-N 3.14Å; F45-Y48 PolarHBondContact O-N 3.36Å; Y48-Q50 VanDerWaalsContact C-N 3.31Å; Y48-Q50 PolarHBondContact O-N 3.22Å; Y48-E51 PolarHBondContact O-N 2.94Å; Y48-C52 PolarHBondContact O-N 3.45Å |
| 49 | E | 97.8 | Very high | 98.4 | Very high | 96 Ų | 96 | 110.4 Ų | 110.4 | 45% | 0.449 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 177.4 | -74.8 | -172 | 125.8 | 0 | 0 | 111.5 | F45 V47 C52 F53 | F45-E49 WeakPolarHBondContact O-CG 3.33Å; F45-E49 PolarHBondContact O-N 3.14Å; V47-E49 PolarHBondContact O-N 3.49Å; E49-C52 WeakPolarHBondContact O-CB 3.12Å; E49-C52 PolarHBondContact O-N 2.88Å; E49-F53 HydrophobicContact CB-CE2 4.25Å; E49-F53 WeakPolarHBondContact O-CD2 3.38Å; E49-F53 WeakPolarHBondContact O-CG 3.49Å; E49-F53 PolarHBondContact O-N 2.9Å |
| 50 | Q | 98.4 | Very high | 98.4 | Very high | 86 Ų | 86 | 107.3 Ų | 107.3 | 40% | 0.402 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.4 | -42.7 | 178.1 | 177.4 | -91.5 | -4.1 | 0 | 0 | 111.8 | L46 V47 Y48 C52 F53 Q54 | L46-Q50 WeakPolarHBondContact O-CB 3.35Å; L46-Q50 PolarHBondContact O-N 2.95Å; V47-Q50 PolarHBondContact O-N 3.35Å; Y48-Q50 VanDerWaalsContact C-N 3.31Å; Y48-Q50 PolarHBondContact O-N 3.22Å; Q50-C52 VanDerWaalsContact C-N 3.31Å; Q50-C52 PolarHBondContact O-N 3.25Å; Q50-F53 PolarHBondContact O-N 3.28Å; Q50-Q54 WeakPolarHBondContact O-CG 3.13Å; Q50-Q54 PolarHBondContact O-N 3.49Å |
| 51 | E | 98 | Very high | 98.5 | Very high | 112 Ų | 112 | 107 Ų | 107 | 52% | 0.523 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.7 | -41.9 | 174 | -73.1 | 177.8 | 167.2 | 0 | 0 | 111.5 | V47 Y48 Q54 E55 | V47-E51 WeakPolarHBondContact O-CG 3.36Å; V47-E51 PolarHBondContact O-N 2.83Å; Y48-E51 PolarHBondContact O-N 2.94Å; E51-Q54 PolarHBondContact O-N 3.41Å; E51-E55 PolarHBondContact O-N 3.21Å |
| 52 | C | 98.3 | Very high | 98.5 | Very high | 64 Ų | 64 | 107.4 Ų | 107.4 | 43% | 0.432 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.4 | -49.2 | 176.8 | -170.6 | 0 | 0 | 0 | 0 | 111.6 | Y48 E49 Q50 Q54 E55 E56 | Y48-C52 PolarHBondContact O-N 3.45Å; E49-C52 WeakPolarHBondContact O-CB 3.12Å; E49-C52 PolarHBondContact O-N 2.88Å; Q50-C52 VanDerWaalsContact C-N 3.31Å; Q50-C52 PolarHBondContact O-N 3.25Å; C52-Q54 VanDerWaalsContact C-N 3.31Å; C52-Q54 PolarHBondContact O-N 3.39Å; C52-E55 PolarHBondContact O-N 2.59Å; C52-E56 PolarHBondContact O-N 3.41Å |
| 53 | F | 98.5 | Very high | 98.5 | Very high | 123 Ų | 123 | 107 Ų | 107 | 54% | 0.539 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.1 | -37.4 | 177.7 | -69 | -48.9 | 0 | 0 | 0 | 112.5 | E49 Q50 E56 L57 | E49-F53 HydrophobicContact CB-CE2 4.25Å; E49-F53 WeakPolarHBondContact O-CD2 3.38Å; E49-F53 WeakPolarHBondContact O-CG 3.49Å; E49-F53 PolarHBondContact O-N 2.9Å; Q50-F53 PolarHBondContact O-N 3.28Å; F53-E56 PolarHBondContact O-N 2.99Å; F53-L57 WeakPolarHBondContact O-CB 3.47Å; F53-L57 PolarHBondContact O-N 3.03Å |
| 54 | Q | 98.6 | Very high | 98.5 | Very high | 101 Ų | 101 | 107.9 Ų | 107.9 | 47% | 0.472 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.6 | -41.9 | 176.3 | -74.7 | -168.6 | -11.5 | 0 | 0 | 112.5 | Q50 E51 C52 R58 | Q50-Q54 WeakPolarHBondContact O-CG 3.13Å; Q50-Q54 PolarHBondContact O-N 3.49Å; E51-Q54 PolarHBondContact O-N 3.41Å; C52-Q54 VanDerWaalsContact C-N 3.31Å; C52-Q54 PolarHBondContact O-N 3.39Å; Q54-R58 WeakPolarHBondContact O-CB 3.41Å; Q54-R58 PolarHBondContact O-N 3.23Å; Q54-R58 VanDerWaalsContact O-N 3.09Å |
| 55 | E | 98.6 | Very high | 98.5 | Very high | 84 Ų | 84 | 105.7 Ų | 105.7 | 39% | 0.393 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 174.9 | -177.4 | 60 | -130.1 | 0 | 0 | 111.4 | E51 C52 R58 R59 R62 | E51-E55 PolarHBondContact O-N 3.21Å; C52-E55 PolarHBondContact O-N 2.59Å; E55-R58 PolarHBondContact O-N 3.45Å; E55-R58 IonicContact OE1-NH1 3.38Å; E55-R58 PolarHBondContact OE1-NH1 2.98Å; E55-R58 IonicContact OE2-CZ 2.95Å; E55-R58 IonicContact OE2-NH1 3.54Å; E55-R58 PolarHBondContact OE2-NH1 3.36Å; E55-R59 WeakPolarHBondContact O-CB 3.44Å; E55-R59 PolarHBondContact O-N 2.94Å; E55-R62 IonicContact OE1-NH2 2.82Å; E55-R62 PolarHBondContact OE1-NH2 3.43Å |
| 56 | E | 98.5 | Very high | 98.6 | Very high | 87 Ų | 87 | 105.6 Ų | 105.6 | 41% | 0.407 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.3 | -42.6 | -179.9 | -173.5 | 162.4 | -153.4 | 0 | 0 | 112 | C52 F53 R58 R59 A60 W213 | C52-E56 PolarHBondContact O-N 3.41Å; F53-E56 PolarHBondContact O-N 2.99Å; E56-R58 VanDerWaalsContact C-N 3.34Å; E56-R58 PolarHBondContact O-N 3.32Å; E56-R59 WeakPolarHBondContact O-CB 3.49Å; E56-R59 PolarHBondContact O-N 2.93Å; E56-R59 VanDerWaalsContact O-N 3.14Å; E56-A60 WeakPolarHBondContact O-CB 3.33Å; E56-A60 PolarHBondContact O-N 3.28Å; E56-W213 WeakPolarHBondContact OE1-CH2 3.49Å |
| 57 | L | 98.7 | Very high | 98.6 | Very high | 102 Ų | 102 | 105 Ų | 105 | 53% | 0.534 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.7 | -47.3 | 173.5 | 179.9 | 62.6 | 0 | 0 | 0 | 111 | F53 R59 A60 Q61 | F53-L57 WeakPolarHBondContact O-CB 3.47Å; F53-L57 PolarHBondContact O-N 3.03Å; L57-R59 VanDerWaalsContact C-N 3.27Å; L57-R59 PolarHBondContact O-N 2.88Å; L57-A60 PolarHBondContact O-N 3.47Å; L57-Q61 HydrophobicContact CD1-CG 4.42Å; L57-Q61 WeakPolarHBondContact O-CG 3.49Å; L57-Q61 PolarHBondContact O-N 3.19Å |
| 58 | R | 98.7 | Very high | 98.6 | Very high | 110 Ų | 110 | 104.8 Ų | 104.8 | 42% | 0.415 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.5 | -34.5 | 178.1 | -150.5 | -175.2 | -50.8 | 99.9 | -1.3 | 111.7 | Q54 E55 E56 R62 | Q54-R58 WeakPolarHBondContact O-CB 3.41Å; Q54-R58 PolarHBondContact O-N 3.23Å; Q54-R58 VanDerWaalsContact O-N 3.09Å; E55-R58 PolarHBondContact O-N 3.45Å; E55-R58 IonicContact OE1-NH1 3.38Å; E55-R58 PolarHBondContact OE1-NH1 2.98Å; E55-R58 IonicContact OE2-CZ 2.95Å; E55-R58 IonicContact OE2-NH1 3.54Å; E55-R58 PolarHBondContact OE2-NH1 3.36Å; E56-R58 VanDerWaalsContact C-N 3.34Å; E56-R58 PolarHBondContact O-N 3.32Å; R58-R62 WeakPolarHBondContact O-CG 3.37Å; R58-R62 PolarHBondContact O-N 3.36Å; R58-R62 PolarHBondContact O-NE 3.36Å; R58-R62 VanDerWaalsContact O-NE 3.16Å |
| 59 | R | 98.8 | Very high | 98.6 | Very high | 148 Ų | 148 | 105.8 Ų | 105.8 | 56% | 0.558 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -68.2 | -43 | 174.2 | -166 | -179.5 | -175.7 | 103.1 | -1.1 | 111.6 | E55 E56 L57 R62 K63 | E55-R59 WeakPolarHBondContact O-CB 3.44Å; E55-R59 PolarHBondContact O-N 2.94Å; E56-R59 WeakPolarHBondContact O-CB 3.49Å; E56-R59 PolarHBondContact O-N 2.93Å; E56-R59 VanDerWaalsContact O-N 3.14Å; L57-R59 VanDerWaalsContact C-N 3.27Å; L57-R59 PolarHBondContact O-N 2.88Å; R59-R62 PolarHBondContact O-N 3.23Å; R59-K63 WeakPolarHBondContact O-CG 3.48Å; R59-K63 PolarHBondContact O-N 3.25Å; R59-K63 VanDerWaalsContact O-N 3.13Å |
| 60 | A | 98.8 | Very high | 98.6 | Very high | 51 Ų | 51 | 105.4 Ų | 105.4 | 42% | 0.421 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.3 | -44.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | E56 L57 R62 K63 L64 | E56-A60 WeakPolarHBondContact O-CB 3.33Å; E56-A60 PolarHBondContact O-N 3.28Å; L57-A60 PolarHBondContact O-N 3.47Å; A60-R62 VanDerWaalsContact C-N 3.35Å; A60-R62 PolarHBondContact O-N 3.14Å; A60-K63 WeakPolarHBondContact O-CB 3.44Å; A60-K63 PolarHBondContact O-N 3.09Å; A60-K63 VanDerWaalsContact O-N 3.15Å; A60-L64 PolarHBondContact O-N 3.35Å |
| 61 | Q | 98.7 | Very high | 98.6 | Very high | 101 Ų | 101 | 107.9 Ų | 107.9 | 47% | 0.472 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.3 | -43.5 | 175.9 | -72.5 | 173.1 | -23 | 0 | 0 | 112.2 | L57 K63 L64 L65 | L57-Q61 HydrophobicContact CD1-CG 4.42Å; L57-Q61 WeakPolarHBondContact O-CG 3.49Å; L57-Q61 PolarHBondContact O-N 3.19Å; Q61-K63 VanDerWaalsContact C-N 3.35Å; Q61-K63 PolarHBondContact O-N 3.28Å; Q61-L64 PolarHBondContact O-N 2.95Å; Q61-L65 WeakPolarHBondContact O-CG 3.36Å; Q61-L65 PolarHBondContact O-N 3.16Å |
| 62 | R | 98.8 | Very high | 98.6 | Very high | 136 Ų | 136 | 105.2 Ų | 105.2 | 51% | 0.513 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.9 | -44 | 174.1 | -76.6 | -179.4 | -72.6 | -168.8 | -1.4 | 112.1 | E55 R58 R59 A60 K66 | E55-R62 IonicContact OE1-NH2 2.82Å; E55-R62 PolarHBondContact OE1-NH2 3.43Å; R58-R62 WeakPolarHBondContact O-CG 3.37Å; R58-R62 PolarHBondContact O-N 3.36Å; R58-R62 PolarHBondContact O-NE 3.36Å; R58-R62 VanDerWaalsContact O-NE 3.16Å; R59-R62 PolarHBondContact O-N 3.23Å; A60-R62 VanDerWaalsContact C-N 3.35Å; A60-R62 PolarHBondContact O-N 3.14Å; R62-K66 PolarHBondContact O-N 2.87Å; R62-K66 VanDerWaalsContact O-N 3.12Å |
| 63 | K | 98.8 | Very high | 98.6 | Very high | 130 Ų | 130 | 109.2 Ų | 109.2 | 57% | 0.565 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.6 | -44.4 | 176.4 | -71.6 | 175.6 | 177.9 | 179.8 | 0 | 111.7 | R59 A60 Q61 L65 K66 V67 | R59-K63 WeakPolarHBondContact O-CG 3.48Å; R59-K63 PolarHBondContact O-N 3.25Å; R59-K63 VanDerWaalsContact O-N 3.13Å; A60-K63 WeakPolarHBondContact O-CB 3.44Å; A60-K63 PolarHBondContact O-N 3.09Å; A60-K63 VanDerWaalsContact O-N 3.15Å; Q61-K63 VanDerWaalsContact C-N 3.35Å; Q61-K63 PolarHBondContact O-N 3.28Å; K63-L65 PolarHBondContact O-N 2.93Å; K63-K66 WeakPolarHBondContact O-CB 3.44Å; K63-K66 PolarHBondContact O-N 3.44Å; K63-V67 WeakPolarHBondContact O-CG2 3.46Å; K63-V67 PolarHBondContact O-N 3.21Å |
| 64 | L | 98.7 | Very high | 98.5 | Very high | 123 Ų | 123 | 108.1 Ų | 108.1 | 64% | 0.644 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -58.7 | -47.8 | 178.2 | 178.4 | 64.2 | 0 | 0 | 0 | 111.3 | A60 Q61 K66 V67 S68 | A60-L64 PolarHBondContact O-N 3.35Å; Q61-L64 PolarHBondContact O-N 2.95Å; L64-K66 VanDerWaalsContact C-N 3.29Å; L64-K66 PolarHBondContact O-N 3.39Å; L64-V67 PolarHBondContact O-N 3.17Å; L64-S68 WeakPolarHBondContact O-CB 3.35Å; L64-S68 PolarHBondContact O-N 3.36Å |
| 65 | L | 98.8 | Very high | 98.5 | Very high | 99 Ų | 99 | 108 Ų | 108 | 52% | 0.518 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.1 | -38.5 | 177.2 | -72.2 | 173.6 | 0 | 0 | 0 | 112.2 | Q61 K63 S68 R69 | Q61-L65 WeakPolarHBondContact O-CG 3.36Å; Q61-L65 PolarHBondContact O-N 3.16Å; K63-L65 PolarHBondContact O-N 2.93Å; L65-S68 PolarHBondContact O-N 2.83Å; L65-R69 WeakPolarHBondContact O-CG 3.5Å; L65-R69 PolarHBondContact O-N 2.98Å |
| 66 | K | 98.7 | Very high | 98.3 | Very high | 137 Ų | 137 | 108.9 Ų | 108.9 | 60% | 0.596 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.3 | -52.8 | 175.9 | -172.2 | 177.3 | 179.9 | -179.5 | 0 | 111.3 | R62 K63 L64 S68 R69 D70 | R62-K66 PolarHBondContact O-N 2.87Å; R62-K66 VanDerWaalsContact O-N 3.12Å; K63-K66 WeakPolarHBondContact O-CB 3.44Å; K63-K66 PolarHBondContact O-N 3.44Å; L64-K66 VanDerWaalsContact C-N 3.29Å; L64-K66 PolarHBondContact O-N 3.39Å; K66-S68 VanDerWaalsContact C-N 3.25Å; K66-S68 PolarHBondContact O-N 3.19Å; K66-R69 WeakPolarHBondContact O-CB 3.36Å; K66-R69 PolarHBondContact O-N 3.12Å; K66-R69 VanDerWaalsContact O-N 3.1Å; K66-D70 VanDerWaalsContact O-CG 3.26Å; K66-D70 PolarHBondContact O-N 3.46Å |
| 67 | V | 98.7 | Very high | 98.2 | Very high | 93 Ų | 93 | 110.1 Ų | 110.1 | 56% | 0.564 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.5 | -37.3 | 178.2 | 174.7 | 0 | 0 | 0 | 0 | 111.3 | K63 L64 D70 K71 | K63-V67 WeakPolarHBondContact O-CG2 3.46Å; K63-V67 PolarHBondContact O-N 3.21Å; L64-V67 PolarHBondContact O-N 3.17Å; V67-D70 PolarHBondContact O-N 2.97Å; V67-K71 VanDerWaalsContact O-CB 3.29Å; V67-K71 WeakPolarHBondContact O-CB 3.35Å; V67-K71 PolarHBondContact O-N 3.29Å |
| 68 | S | 98.5 | Very high | 98 | Very high | 62 Ų | 62 | 110 Ų | 110 | 43% | 0.434 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 176.1 | -169.9 | 0 | 0 | 0 | 0 | 111.9 | L64 L65 K66 S72 | L64-S68 WeakPolarHBondContact O-CB 3.35Å; L64-S68 PolarHBondContact O-N 3.36Å; L65-S68 PolarHBondContact O-N 2.83Å; K66-S68 VanDerWaalsContact C-N 3.25Å; K66-S68 PolarHBondContact O-N 3.19Å; S68-S72 PolarHBondContact O-N 3.45Å; S68-S72 PolarHBondContact O-OG 3.2Å |
| 69 | R | 98.7 | Very high | 97.7 | Very high | 176 Ų | 176 | 108.8 Ų | 108.8 | 66% | 0.664 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.6 | -45.3 | 175.4 | -71.5 | 171.4 | -177.2 | 150.7 | 0.6 | 111.3 | L65 K66 K71 S72 F73 | L65-R69 WeakPolarHBondContact O-CG 3.5Å; L65-R69 PolarHBondContact O-N 2.98Å; K66-R69 WeakPolarHBondContact O-CB 3.36Å; K66-R69 PolarHBondContact O-N 3.12Å; K66-R69 VanDerWaalsContact O-N 3.1Å; R69-K71 VanDerWaalsContact C-N 3.31Å; R69-K71 PolarHBondContact O-N 3.42Å; R69-S72 PolarHBondContact O-N 3.15Å; R69-F73 WeakPolarHBondContact O-CB 3.44Å; R69-F73 PolarHBondContact O-N 2.93Å |
| 70 | D | 98.4 | Very high | 97.3 | Very high | 89 Ų | 89 | 106.9 Ų | 106.9 | 48% | 0.476 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.2 | -41.7 | 178.9 | -63.3 | -16.5 | 0 | 0 | 0 | 111.1 | K66 V67 L74 | K66-D70 VanDerWaalsContact O-CG 3.26Å; K66-D70 PolarHBondContact O-N 3.46Å; V67-D70 PolarHBondContact O-N 2.97Å; D70-L74 WeakPolarHBondContact O-CB 3.32Å; D70-L74 PolarHBondContact O-N 2.96Å |
| 71 | K | 98.3 | Very high | 96.9 | Very high | 137 Ų | 137 | 110.5 Ų | 110.5 | 60% | 0.596 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.6 | -52.8 | 174.6 | 178.4 | -174.1 | 174.2 | -179.8 | 0 | 111.4 | V67 R69 F73 L74 L75 | V67-K71 VanDerWaalsContact O-CB 3.29Å; V67-K71 WeakPolarHBondContact O-CB 3.35Å; V67-K71 PolarHBondContact O-N 3.29Å; R69-K71 VanDerWaalsContact C-N 3.31Å; R69-K71 PolarHBondContact O-N 3.42Å; K71-F73 VanDerWaalsContact C-N 3.32Å; K71-F73 PolarHBondContact O-N 2.98Å; K71-L74 PolarHBondContact O-N 3.33Å; K71-L75 HydrophobicContact CG-CD1 4.26Å; K71-L75 WeakPolarHBondContact O-CG 3.49Å; K71-L75 PolarHBondContact O-N 2.98Å |
| 72 | S | 97.9 | Very high | 96 | Very high | 57 Ų | 57 | 112.6 Ų | 112.6 | 40% | 0.399 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -58.9 | -46.2 | 179.4 | -67.7 | 0 | 0 | 0 | 0 | 111.1 | S68 R69 L74 L75 D76 | S68-S72 PolarHBondContact O-N 3.45Å; S68-S72 PolarHBondContact O-OG 3.2Å; R69-S72 PolarHBondContact O-N 3.15Å; S72-L74 VanDerWaalsContact C-N 3.31Å; S72-L74 PolarHBondContact O-N 3.13Å; S72-L75 PolarHBondContact O-N 2.87Å; S72-D76 VanDerWaalsContact O-CG 3.23Å; S72-D76 PolarHBondContact O-N 2.93Å |
| 73 | F | 98.3 | Very high | 94.5 | Very high | 148 Ų | 148 | 115.1 Ų | 115.1 | 65% | 0.649 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -56.3 | -43.7 | 176.5 | 174.5 | -95.9 | 0 | 0 | 0 | 112.6 | R69 K71 D76 R77 | R69-F73 WeakPolarHBondContact O-CB 3.44Å; R69-F73 PolarHBondContact O-N 2.93Å; K71-F73 VanDerWaalsContact C-N 3.32Å; K71-F73 PolarHBondContact O-N 2.98Å; F73-D76 PolarHBondContact O-N 2.81Å; F73-R77 PolarHBondContact O-N 3.13Å |
| 74 | L | 97.9 | Very high | 92.7 | Very high | 100 Ų | 100 | 113.1 Ų | 113.1 | 52% | 0.524 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.3 | -42.7 | 178.3 | -178.5 | 61.5 | 0 | 0 | 0 | 111.9 | D70 K71 S72 D76 R77 L78 | D70-L74 WeakPolarHBondContact O-CB 3.32Å; D70-L74 PolarHBondContact O-N 2.96Å; K71-L74 PolarHBondContact O-N 3.33Å; S72-L74 VanDerWaalsContact C-N 3.31Å; S72-L74 PolarHBondContact O-N 3.13Å; L74-D76 VanDerWaalsContact C-N 3.35Å; L74-R77 PolarHBondContact O-N 3.39Å; L74-L78 HydrophobicContact CD1-CD1 4.14Å; L74-L78 HydrophobicContact CD1-CG 4.14Å; L74-L78 HydrophobicContact CD2-CD1 4.47Å; L74-L78 HydrophobicContact CG-CD1 3.88Å; L74-L78 HydrophobicContact CG-CG 4.33Å; L74-L78 WeakPolarHBondContact O-CB 3.23Å; L74-L78 WeakPolarHBondContact O-CG 3.33Å; L74-L78 PolarHBondContact O-N 2.71Å |
| 75 | L | 97 | Very high | 90.7 | Very high | 97 Ų | 97 | 113.6 Ų | 113.6 | 51% | 0.508 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.5 | -44.3 | 176.5 | -68.5 | 176.3 | 0 | 0 | 0 | 111.2 | K71 S72 R77 L78 L79 | K71-L75 HydrophobicContact CG-CD1 4.26Å; K71-L75 WeakPolarHBondContact O-CG 3.49Å; K71-L75 PolarHBondContact O-N 2.98Å; S72-L75 PolarHBondContact O-N 2.87Å; L75-R77 PolarHBondContact O-N 3.19Å; L75-L78 PolarHBondContact O-N 2.97Å; L75-L79 WeakPolarHBondContact O-CB 3.34Å; L75-L79 PolarHBondContact O-N 3.37Å |
| 76 | D | 95.2 | Very high | 88.7 | Confident | 103 Ų | 103 | 117.2 Ų | 117.2 | 55% | 0.551 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.6 | -34.4 | 176.3 | -65.5 | -19.6 | 0 | 0 | 0 | 111.8 | S72 F73 L74 Q80 | S72-D76 VanDerWaalsContact O-CG 3.23Å; S72-D76 PolarHBondContact O-N 2.93Å; F73-D76 PolarHBondContact O-N 2.81Å; L74-D76 VanDerWaalsContact C-N 3.35Å; D76-Q80 PolarHBondContact O-NE2 3.31Å |
| 77 | R | 95.6 | Very high | 86.7 | Confident | 114 Ų | 114 | 117.6 Ų | 117.6 | 43% | 0.43 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -73.7 | -43.7 | 175.8 | -172.9 | 55.2 | 176.3 | -177.6 | -0.7 | 112.6 | F73 L74 L75 Q80 Y81 | F73-R77 PolarHBondContact O-N 3.13Å; L74-R77 PolarHBondContact O-N 3.39Å; L75-R77 PolarHBondContact O-N 3.19Å; R77-Q80 WeakPolarHBondContact O-CB 3.29Å; R77-Q80 PolarHBondContact O-N 3.06Å; R77-Y81 HydrophobicContact CG-CE2 4.22Å; R77-Y81 PolarHBondContact NH2-OH 3.48Å; R77-Y81 VanDerWaalsContact O-CD2 3.23Å; R77-Y81 WeakPolarHBondContact O-CD2 3.42Å |
| 78 | L | 94.4 | Very high | 84.8 | Confident | 98 Ų | 98 | 118 Ų | 118 | 51% | 0.513 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67 | -36.9 | 179.6 | -73.1 | 171.7 | 0 | 0 | 0 | 112.2 | L74 L75 Q80 Y81 E82 | L74-L78 HydrophobicContact CD1-CD1 4.14Å; L74-L78 HydrophobicContact CD1-CG 4.14Å; L74-L78 HydrophobicContact CD2-CD1 4.47Å; L74-L78 HydrophobicContact CG-CD1 3.88Å; L74-L78 HydrophobicContact CG-CG 4.33Å; L74-L78 WeakPolarHBondContact O-CB 3.23Å; L74-L78 WeakPolarHBondContact O-CG 3.33Å; L74-L78 PolarHBondContact O-N 2.71Å; L75-L78 PolarHBondContact O-N 2.97Å; L78-Q80 PolarHBondContact O-N 3.29Å; L78-Q80 VanDerWaalsContact O-N 3.11Å; L78-Y81 PolarHBondContact O-N 2.84Å; L78-E82 PolarHBondContact O-N 2.81Å |
| 79 | L | 91.9 | Very high | 82.8 | Confident | 85 Ų | 85 | 119.6 Ų | 119.6 | 45% | 0.445 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -56.8 | -28.2 | 177.1 | -173.9 | 64.2 | 0 | 0 | 0 | 112.8 | L75 Y81 E82 | L75-L79 WeakPolarHBondContact O-CB 3.34Å; L75-L79 PolarHBondContact O-N 3.37Å; L79-Y81 VanDerWaalsContact C-N 3.26Å; L79-Y81 PolarHBondContact O-N 3.35Å; L79-E82 VanDerWaalsContact CD1-OE2 3.32Å; L79-E82 WeakPolarHBondContact CD1-OE2 3.34Å |
| 80 | Q | 91.1 | Very high | 81 | Confident | 109 Ų | 109 | 118.9 Ų | 118.9 | 51% | 0.509 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.9 | -25.7 | 176 | -67.9 | 162.8 | 61.8 | 0 | 0 | 112.9 | D76 R77 L78 V84 | D76-Q80 PolarHBondContact O-NE2 3.31Å; R77-Q80 WeakPolarHBondContact O-CB 3.29Å; R77-Q80 PolarHBondContact O-N 3.06Å; L78-Q80 PolarHBondContact O-N 3.29Å; L78-Q80 VanDerWaalsContact O-N 3.11Å; Q80-V84 VanDerWaalsContact O-CG2 3.31Å; Q80-V84 WeakPolarHBondContact O-CG2 3.46Å |
| 81 | Y | 90 | Very high | 79.2 | Confident | 127 Ų | 127 | 119 Ų | 119 | 50% | 0.498 | 61% | 0.606 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.1 | -16.4 | -177.3 | -64 | -77.9 | 0 | 0 | 0 | 113.1 | R77 L78 L79 R83 | R77-Y81 HydrophobicContact CG-CE2 4.22Å; R77-Y81 PolarHBondContact NH2-OH 3.48Å; R77-Y81 VanDerWaalsContact O-CD2 3.23Å; R77-Y81 WeakPolarHBondContact O-CD2 3.42Å; L78-Y81 PolarHBondContact O-N 2.84Å; L79-Y81 VanDerWaalsContact C-N 3.26Å; L79-Y81 PolarHBondContact O-N 3.35Å; Y81-R83 PolarHBondContact O-N 2.95Å; Y81-R83 VanDerWaalsContact O-N 3.14Å |
| 82 | E | 80.4 | Confident | 77.5 | Confident | 145 Ų | 145 | 119.3 Ų | 119.3 | 68% | 0.678 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -20.4 | 178 | -174.7 | 175.7 | -166.7 | 0 | 0 | 113.2 | L78 L79 | L78-E82 PolarHBondContact O-N 2.81Å; L79-E82 VanDerWaalsContact CD1-OE2 3.32Å; L79-E82 WeakPolarHBondContact CD1-OE2 3.34Å |
| 83 | R | 66.2 | Low | 75.5 | Confident | 188 Ų | 188 | 120.8 Ų | 120.8 | 71% | 0.709 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.1 | 32.1 | -172.1 | -50.8 | -172.7 | -150.5 | 178 | 5.4 | 114.6 | Y81 | Y81-R83 PolarHBondContact O-N 2.95Å; Y81-R83 VanDerWaalsContact O-N 3.14Å |
| 84 | V | 61.2 | Low | 73.6 | Confident | 88 Ų | 88 | 120.1 Ų | 120.1 | 53% | 0.533 | 64% | 0.638 | S | S | . | * | S | Bend | trans | -111.1 | -19.8 | -176.5 | -176.8 | 0 | 0 | 0 | 0 | 113 | Q80 | Q80-V84 VanDerWaalsContact O-CG2 3.31Å; Q80-V84 WeakPolarHBondContact O-CG2 3.46Å |
| 85 | D | 58.4 | Low | 71.4 | Confident | 133 Ų | 133 | 121.8 Ų | 121.8 | 71% | 0.711 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -98.5 | -5.7 | -172 | -61.2 | -37.5 | 0 | 0 | 0 | 115 | | |
| 86 | E | 55.9 | Low | 69.4 | Low | 176 Ų | 176 | 122.5 Ų | 122.5 | 82% | 0.822 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -11.4 | -179.2 | -64.1 | -68.2 | 141.9 | 0 | 0 | 113.6 | | |
| 87 | D | 56.8 | Low | 67.4 | Low | 145 Ų | 145 | 123.2 Ų | 123.2 | 78% | 0.775 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | -0.9 | -179.1 | -63.1 | -22.4 | 0 | 0 | 0 | 113.1 | S89 | D87-S89 PolarHBondContact O-N 3.48Š|
| 88 | S | 58.9 | Low | 65.5 | Low | 102 Ų | 102 | 127.2 Ų | 127.2 | 71% | 0.713 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -76.5 | 76.5 | 173.8 | -176.9 | 0 | 0 | 0 | 0 | 109.9 | D90 | S88-D90 PolarHBondContact O-N 3.42Š|
| 89 | S | 55.4 | Low | 63 | Low | 94 Ų | 94 | 129.7 Ų | 129.7 | 66% | 0.657 | 72% | 0.716 | S | S | * | * | | | trans | -29.4 | 98.3 | 169.7 | -173.2 | 0 | 0 | 0 | 0 | 113.3 | D87 S91 | D87-S89 PolarHBondContact O-N 3.48Å; S89-S91 PolarHBondContact O-N 3.13Å; S89-S91 PolarHBondContact OG-OG 2.96Å; S89-S91 VanDerWaalsContact OG-OG 3.07Å |
| 90 | D | 60.6 | Low | 60.5 | Low | 161 Ų | 161 | 129.8 Ų | 129.8 | 86% | 0.861 | 72% | 0.723 | S | S | * | * | | | trans | -70.9 | 81.7 | 159 | -174.8 | 28.1 | 0 | 0 | 0 | 107.3 | S88 D92 | S88-D90 PolarHBondContact O-N 3.42Å; D90-D92 PolarHBondContact O-N 3.36Å |
| 91 | S | 62.1 | Low | 58.4 | Low | 92 Ų | 92 | 133.5 Ų | 133.5 | 64% | 0.643 | 74% | 0.741 | S | S | * | * | | | trans | -78.4 | 106.5 | 170.1 | -72.1 | 0 | 0 | 0 | 0 | 108.4 | S89 A93 | S89-S91 PolarHBondContact O-N 3.13Å; S89-S91 PolarHBondContact OG-OG 2.96Å; S89-S91 VanDerWaalsContact OG-OG 3.07Å; S91-A93 PolarHBondContact O-N 2.84Å |
| 92 | D | 62.9 | Low | 55.8 | Low | 144 Ų | 144 | 131 Ų | 131 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | | | trans | -29.4 | 115.4 | 168.2 | -161.3 | -60.8 | 0 | 0 | 0 | 113.4 | D90 | D90-D92 PolarHBondContact O-N 3.36Š|
| 93 | A | 54.7 | Low | 53.9 | Low | 87 Ų | 87 | 132.9 Ų | 132.9 | 72% | 0.719 | 76% | 0.763 | S | S | * | * | | | trans | -146.7 | 90.6 | 160.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | S91 V95 | S91-A93 PolarHBondContact O-N 2.84Å; A93-V95 PolarHBondContact O-N 3.07Å |
| 94 | T | 59.7 | Low | 52.5 | Low | 134 Ų | 134 | 127.1 Ų | 127.1 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | | | trans | -28 | 114.3 | 149.7 | 48.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 95 | V | 50.8 | Low | 51.7 | Low | 136 Ų | 136 | 129.9 Ų | 129.9 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | | | trans | -147.8 | 107.2 | 147 | 70.5 | 0 | 0 | 0 | 0 | 109.2 | A93 | A93-V95 PolarHBondContact O-N 3.07Š|
| 96 | S | 54.3 | Low | 50.8 | Low | 112 Ų | 112 | 133.3 Ų | 133.3 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | | | trans | -59.7 | 133 | 160.5 | -63.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 97 | S | 54 | Low | 50 | Low | 118 Ų | 118 | 133.6 Ų | 133.6 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | | | | -176.3 | 114.7 | 127.8 | -97.6 | 0 | 0 | 0 | 0 | 111 | | |
| 98 | E | 54.8 | Low | 49.3 | Very low | 197 Ų | 197 | 137.8 Ų | 137.8 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | | | trans | -56.2 | 120.6 | 149.7 | 169.4 | 147.1 | -145.1 | 0 | 0 | 110.2 | | |
| 99 | N | 42 | Very low | 48.3 | Very low | 151 Ų | 151 | 139 Ų | 139 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | | | trans | -176 | 136.8 | 146.9 | -165.4 | 33.2 | 0 | 0 | 0 | 113.3 | | |
| 100 | S | 40.6 | Very low | 47.8 | Very low | 87 Ų | 87 | 144.3 Ų | 144.3 | 61% | 0.608 | 78% | 0.782 | S | S | * | * | | | trans | 77.7 | 100.6 | 149.5 | -148.8 | 0 | 0 | 0 | 0 | 121 | | |
| 101 | E | 46.6 | Very low | 46.6 | Very low | 186 Ų | 186 | 145.6 Ų | 145.6 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | | | trans | -24.1 | 141.1 | 131.2 | 62.5 | -158.5 | 137.3 | 0 | 0 | 115.8 | | |
| 102 | G | 35.3 | Very low | 45.9 | Very low | 75 Ų | 75 | 148.2 Ų | 148.2 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | trans | 169 | 91.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 103 | E | 40.9 | Very low | 44.8 | Very low | 185 Ų | 185 | 145.7 Ų | 145.7 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | | | trans | 11.6 | 129.9 | 142.5 | -89.9 | -106.9 | 152.9 | 0 | 0 | 119.5 | | |
| 104 | G | 36.1 | Very low | 44.6 | Very low | 66 Ų | 66 | 150.1 Ų | 150.1 | 68% | 0.68 | 79% | 0.79 | S | S | * | * | | | trans | -169.6 | 40.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | R106 | G104-R106 PolarHBondContact O-N 2.95Å; G104-R106 VanDerWaalsContact O-N 3.09Å |
| 105 | L | 44.5 | Very low | 44.3 | Very low | 147 Ų | 147 | 153.5 Ų | 153.5 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | | | trans | -58.5 | 105.6 | 162.5 | 176.2 | 109.8 | 0 | 0 | 0 | 109.9 | | |
| 106 | R | 40.3 | Very low | 44.4 | Very low | 205 Ų | 205 | 157.9 Ų | 157.9 | 77% | 0.774 | 80% | 0.795 | S | S | * | * | | | trans | -152.6 | 89.5 | 168.7 | -52.4 | -70.4 | -177 | -123 | 10 | 112.2 | G104 | G104-R106 PolarHBondContact O-N 2.95Å; G104-R106 VanDerWaalsContact O-N 3.09Å |
| 107 | E | 39.6 | Very low | 44 | Very low | 182 Ų | 182 | 160.9 Ų | 160.9 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | | | trans | -25.9 | 127.7 | 142 | 179.8 | -178.9 | -160.7 | 0 | 0 | 113.7 | | |
| 108 | R | 41.4 | Very low | 43.3 | Very low | 232 Ų | 232 | 159.4 Ų | 159.4 | 88% | 0.875 | 78% | 0.783 | S | S | * | * | | | trans | -156.3 | 96 | 148.5 | -171.2 | 165.5 | -99.7 | 119.6 | -7.2 | 111.7 | | |
| 109 | E | 37.9 | Very low | 42.8 | Very low | 129 Ų | 129 | 154.7 Ų | 154.7 | 60% | 0.603 | 77% | 0.772 | S | S | * | * | | | trans | -42 | 155.1 | 146.7 | -171.8 | -158.8 | -157.5 | 0 | 0 | 113.5 | | |
| 110 | R | 44 | Very low | 43.2 | Very low | 205 Ų | 205 | 153.2 Ų | 153.2 | 77% | 0.774 | 77% | 0.771 | S | S | * | * | | | trans | 97.8 | 130.7 | 169.4 | -53.1 | 162.6 | -156.8 | -136.7 | -2 | 112.4 | | |
| 111 | E | 36.3 | Very low | 43 | Very low | 188 Ų | 188 | 153 Ų | 153 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | | | cis | -166 | 152.9 | 44.1 | -151.5 | 172.9 | -149.9 | 0 | 0 | 112.5 | | |
| 112 | I | 47.4 | Very low | 42.6 | Very low | 147 Ų | 147 | 148.9 Ų | 148.9 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | | | trans | -85.7 | 130.4 | 177.1 | -66.1 | 156.8 | 0 | 0 | 0 | 109.6 | | |
| 113 | A | 40.5 | Very low | 42.6 | Very low | 91 Ų | 91 | 150.9 Ų | 150.9 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | | | trans | -174.6 | 102.8 | 148.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 114 | K | 50.2 | Low | 42.7 | Very low | 180 Ų | 180 | 150.3 Ų | 150.3 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | | | | 56.1 | 99.1 | 86.5 | -67.8 | -177.8 | 178.3 | 171.7 | 0 | 116.4 | | |
| 115 | K | 53.9 | Low | 42.8 | Very low | 204 Ų | 204 | 152.3 Ų | 152.3 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | | | trans | -144.8 | 108.8 | 133.3 | -72.8 | -162.1 | 171.7 | -173.6 | 0 | 106.9 | | |
| 116 | R | 51.8 | Low | 42.4 | Very low | 228 Ų | 228 | 150.9 Ų | 150.9 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | | | | 48.5 | 128.7 | 77.2 | -60.1 | -174.9 | 74.6 | -170.1 | 1.8 | 111 | | |
| 117 | K | 46.8 | Very low | 42.2 | Very low | 176 Ų | 176 | 146.2 Ų | 146.2 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | | | cis | 177.2 | 146.2 | 10.6 | 156.9 | 58 | -178.8 | -88.4 | 0 | 107.4 | | |
| 118 | S | 38.7 | Very low | 42.2 | Very low | 86 Ų | 86 | 143.2 Ų | 143.2 | 60% | 0.601 | 79% | 0.786 | S | S | * | * | | | trans | 87.1 | 110.3 | 150.9 | 128.4 | 0 | 0 | 0 | 0 | 118.5 | | |
| 119 | S | 44.1 | Very low | 42.1 | Very low | 99 Ų | 99 | 137.4 Ų | 137.4 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | | | | 88.3 | 165.7 | 60.3 | 69.4 | 0 | 0 | 0 | 0 | 113.1 | | |
| 120 | P | 50.3 | Low | 42.6 | Very low | 120 Ų | 120 | 136.8 Ų | 136.8 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | | | cis | -134.2 | 166.2 | -27.1 | 28.4 | -6.8 | 0 | 0 | 0 | 114.7 | | |
| 121 | G | 36.2 | Very low | 42.8 | Very low | 81 Ų | 81 | 132.5 Ų | 132.5 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | | | trans | 58.8 | 122.2 | 136 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 122 | A | 39.1 | Very low | 43.1 | Very low | 100 Ų | 100 | 131.2 Ų | 131.2 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | | | trans | -159.3 | 116.8 | 133.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 123 | C | 35.7 | Very low | 42.9 | Very low | 117 Ų | 117 | 132 Ų | 132 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | | | trans | -71.8 | 138.5 | 160.4 | 39.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 124 | L | 41 | Very low | 43.1 | Very low | 173 Ų | 173 | 132.1 Ų | 132.1 | 91% | 0.906 | 78% | 0.784 | S | S | * | * | | | trans | -140.6 | 108.6 | 154.9 | -74 | 177.6 | 0 | 0 | 0 | 108.8 | | |
| 125 | S | 39.1 | Very low | 42.8 | Very low | 108 Ų | 108 | 130.9 Ų | 130.9 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | | | trans | -76.8 | 164.2 | 155 | -57.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 126 | S | 37.2 | Very low | 42.5 | Very low | 117 Ų | 117 | 129.5 Ų | 129.5 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | 100.6 | 133.5 | 173.8 | -48.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 127 | S | 35.6 | Very low | 41.9 | Very low | 107 Ų | 107 | 123.7 Ų | 123.7 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | | | cis | -171.9 | 152.6 | -2.1 | -81.4 | 0 | 0 | 0 | 0 | 106.8 | | |
| 128 | S | 38.7 | Very low | 41.9 | Very low | 119 Ų | 119 | 126.9 Ų | 126.9 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | | | trans | 49.7 | 113.8 | 142.5 | -159.9 | 0 | 0 | 0 | 0 | 120.7 | | |
| 129 | S | 39 | Very low | 42.3 | Very low | 110 Ų | 110 | 128.7 Ų | 128.7 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | | | | 178.7 | 109.8 | 110.2 | 70.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 130 | S | 49.5 | Very low | 42.3 | Very low | 117 Ų | 117 | 127.3 Ų | 127.3 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | trans | -90.4 | 134.6 | 140.9 | 177 | 0 | 0 | 0 | 0 | 105 | | |
| 131 | P | 46.9 | Very low | 42 | Very low | 114 Ų | 114 | 129 Ų | 129 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | | | | -156.3 | 144.8 | 81.5 | 37 | -16 | 0 | 0 | 0 | 115.7 | | |
| 132 | H | 42.6 | Very low | 42.7 | Very low | 161 Ų | 161 | 132.7 Ų | 132.7 | 75% | 0.745 | 81% | 0.807 | S | S | * | * | | | trans | -154.3 | 100.4 | 132.7 | 89.3 | -81.1 | 0 | 0 | 0 | 110.1 | S134 | H132-S134 PolarHBondContact CD2-OG 3.15Š|
| 133 | L | 43.8 | Very low | 43.7 | Very low | 163 Ų | 163 | 132.4 Ų | 132.4 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | | | trans | -89.9 | 111.1 | 153.8 | -66.4 | 175.9 | 0 | 0 | 0 | 105.1 | L135 | L133-L135 PolarHBondContact O-N 2.87Š|
| 134 | S | 44.6 | Very low | 44.1 | Very low | 95 Ų | 95 | 134.4 Ų | 134.4 | 66% | 0.664 | 80% | 0.799 | S | S | * | * | | | trans | -69.4 | 98.3 | 173 | -67.5 | 0 | 0 | 0 | 0 | 109.2 | H132 L136 | H132-S134 PolarHBondContact CD2-OG 3.15Å; S134-L136 PolarHBondContact O-N 3.45Å; S134-L136 VanDerWaalsContact O-N 3.16Å |
| 135 | L | 43.8 | Very low | 44.3 | Very low | 154 Ų | 154 | 135.7 Ų | 135.7 | 81% | 0.806 | 80% | 0.8 | S | S | * | * | | | trans | -66.3 | 99 | 162.5 | -66.9 | 169.5 | 0 | 0 | 0 | 108.5 | L133 S137 | L133-L135 PolarHBondContact O-N 2.87Å; L135-S137 VanDerWaalsContact C-N 3.25Å; L135-S137 PolarHBondContact O-N 3.41Å |
| 136 | L | 47.2 | Very low | 44.5 | Very low | 174 Ų | 174 | 135.6 Ų | 135.6 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | | | trans | -81.6 | 81 | 158.9 | -82.9 | 155.6 | 0 | 0 | 0 | 108 | S134 | S134-L136 PolarHBondContact O-N 3.45Å; S134-L136 VanDerWaalsContact O-N 3.16Å |
| 137 | S | 39.2 | Very low | 45.1 | Very low | 106 Ų | 106 | 135.5 Ų | 135.5 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | | | trans | -78.6 | 119.6 | 159.8 | -68.1 | 0 | 0 | 0 | 0 | 108.8 | L135 | L135-S137 VanDerWaalsContact C-N 3.25Å; L135-S137 PolarHBondContact O-N 3.41Å |
| 138 | R | 47 | Very low | 45.3 | Very low | 244 Ų | 244 | 135.5 Ų | 135.5 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | | | trans | -122.8 | 136.7 | 156.8 | -112.5 | 178.9 | 135.9 | -124 | -1.8 | 109 | | |
| 139 | P | 47.9 | Very low | 46 | Very low | 124 Ų | 124 | 137 Ų | 137 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | | | trans | -92.8 | 149.3 | -168.6 | 35.7 | -33.3 | 0 | 0 | 0 | 113.4 | | |
| 140 | G | 43.3 | Very low | 46.5 | Very low | 69 Ų | 69 | 133.9 Ų | 133.9 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | | | trans | 79.9 | 106.1 | 135.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 141 | V | 45.5 | Very low | 46.7 | Very low | 156 Ų | 156 | 133.4 Ų | 133.4 | 95% | 0.945 | 79% | 0.786 | S | S | * | * | | | | -168 | 135.9 | 102.4 | -85.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 142 | N | 49.8 | Very low | 46.8 | Very low | 158 Ų | 158 | 138.6 Ų | 138.6 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | | | trans | -92.2 | -175.8 | -176.8 | -120.4 | -12.5 | 0 | 0 | 0 | 110.5 | | |
| 143 | P | 60.2 | Low | 47.5 | Very low | 95 Ų | 95 | 138.5 Ų | 138.5 | 62% | 0.617 | 80% | 0.796 | S | S | * | * | | | cis | -141.7 | -176.3 | -26.9 | 34.3 | -12.1 | 0 | 0 | 0 | 114.6 | | |
| 144 | L | 45.2 | Very low | 48.1 | Very low | 159 Ų | 159 | 137.9 Ų | 137.9 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | | | trans | 73.3 | 102.4 | 165.8 | -82.1 | 76.9 | 0 | 0 | 0 | 117.9 | | |
| 145 | Q | 44.9 | Very low | 48.4 | Very low | 199 Ų | 199 | 137.3 Ų | 137.3 | 93% | 0.93 | 80% | 0.795 | S | S | * | * | | | | -153.1 | 140.4 | 122.4 | -106.3 | 171.4 | 35.8 | 0 | 0 | 111 | | |
| 146 | S | 42.1 | Very low | 49.4 | Very low | 106 Ų | 106 | 137 Ų | 137 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | | | trans | -55.9 | 147.7 | -168.2 | 52.2 | 0 | 0 | 0 | 0 | 116.2 | | |
| 147 | S | 50.3 | Low | 50.3 | Low | 115 Ų | 115 | 134.2 Ų | 134.2 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | 48.6 | 101.9 | 135.2 | -174 | 0 | 0 | 0 | 0 | 117.5 | | |
| 148 | S | 40.7 | Very low | 51.2 | Low | 108 Ų | 108 | 136.7 Ų | 136.7 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | | | | -176.2 | 133.7 | 126.7 | 40.2 | 0 | 0 | 0 | 0 | 111.3 | G150 | S148-G150 PolarHBondContact O-N 3.17Š|
| 149 | T | 52.2 | Low | 52.3 | Low | 149 Ų | 149 | 128.4 Ų | 128.4 | 91% | 0.914 | 76% | 0.759 | S | S | * | * | | | trans | -45.5 | 115.1 | 162.3 | 49.1 | 0 | 0 | 0 | 0 | 111 | | |
| 150 | G | 50.9 | Low | 53.3 | Low | 45 Ų | 45 | 126.7 Ų | 126.7 | 46% | 0.464 | 75% | 0.748 | S | S | . | * | | | trans | 179.8 | -6.3 | 177 | 0 | 0 | 0 | 0 | 0 | 119.9 | S148 Y152 L153 | S148-G150 PolarHBondContact O-N 3.17Å; G150-Y152 VanDerWaalsContact C-N 3.3Å; G150-Y152 PolarHBondContact O-N 3.16Å; G150-L153 PolarHBondContact O-N 3.45Å |
| 151 | S | 51.8 | Low | 54.1 | Low | 108 Ų | 108 | 130.5 Ų | 130.5 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -22.6 | -168.4 | -50.6 | 0 | 0 | 0 | 0 | 115.3 | | |
| 152 | Y | 50.5 | Low | 55 | Low | 223 Ų | 223 | 134 Ų | 134 | 88% | 0.875 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -15.6 | -178.9 | -83.7 | -81.7 | 0 | 0 | 0 | 115.1 | G150 | G150-Y152 VanDerWaalsContact C-N 3.3Å; G150-Y152 PolarHBondContact O-N 3.16Å |
| 153 | L | 56.1 | Low | 55.8 | Low | 159 Ų | 159 | 133 Ų | 133 | 83% | 0.832 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -14.1 | 175.7 | -64.3 | -179.4 | 0 | 0 | 0 | 112.8 | G150 | G150-L153 PolarHBondContact O-N 3.45Š|
| 154 | N | 56.4 | Low | 56.3 | Low | 149 Ų | 149 | 130.5 Ų | 130.5 | 80% | 0.797 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -91.9 | -18.5 | -172.3 | -147 | -77.2 | 0 | 0 | 0 | 113.9 | | |
| 155 | A | 52 | Low | 57.1 | Low | 83 Ų | 83 | 128.4 Ų | 128.4 | 69% | 0.686 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -92.2 | -5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | P157 | A155-P157 WeakPolarHBondContact O-CD 3.41Š|
| 156 | M | 64.6 | Low | 57.8 | Low | 147 Ų | 147 | 124.8 Ų | 124.8 | 72% | 0.724 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -86 | 115.5 | 173.1 | -68.2 | -61.8 | -78.8 | 0 | 0 | 108.2 | F158 | M156-F158 PolarHBondContact O-N 3.03Š|
| 157 | P | 66 | Low | 58.7 | Low | 117 Ų | 117 | 124.1 Ų | 124.1 | 76% | 0.76 | 72% | 0.717 | S | S | * | * | | | trans | -55.1 | 118.3 | 170.1 | 21.7 | -29.2 | 0 | 0 | 0 | 107.1 | A155 | A155-P157 WeakPolarHBondContact O-CD 3.41Š|
| 158 | F | 58.8 | Low | 58.9 | Low | 158 Ų | 158 | 127.2 Ų | 127.2 | 69% | 0.693 | 72% | 0.718 | S | S | * | * | | | trans | -44.6 | 137.6 | 175.4 | -152.6 | -102 | 0 | 0 | 0 | 108.4 | M156 | M156-F158 PolarHBondContact O-N 3.03Š|
| 159 | P | 68.4 | Low | 59.5 | Low | 69 Ų | 69 | 132.9 Ų | 132.9 | 45% | 0.448 | 72% | 0.723 | S | S | . | * | | | trans | -52.6 | 132.6 | 178.5 | 21.9 | -31.6 | 0 | 0 | 0 | 108.2 | E161 L163 | P159-E161 PolarHBondContact O-N 3.47Å; P159-L163 HydrophobicContact CB-CB 4.36Å; P159-L163 HydrophobicContact CB-CD1 4.49Å |
| 160 | P | 69.4 | Low | 59.3 | Low | 89 Ų | 89 | 134.6 Ų | 134.6 | 58% | 0.578 | 72% | 0.723 | S | S | * | * | | | trans | -45.9 | 134.4 | -177.3 | -28.5 | 33.1 | 0 | 0 | 0 | 110.1 | Y162 L163 | P160-Y162 PolarHBondContact O-N 2.88Å; P160-L163 PolarHBondContact O-N 3.47Å |
| 161 | E | 60.7 | Low | 59.2 | Low | 148 Ų | 148 | 142.2 Ų | 142.2 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -43.8 | -21.2 | -174.3 | -104.6 | 77.8 | -170.7 | 0 | 0 | 115.7 | P159 L163 A164 | P159-E161 PolarHBondContact O-N 3.47Å; E161-L163 VanDerWaalsContact C-N 3.28Å; E161-L163 PolarHBondContact O-N 3.3Å; E161-A164 PolarHBondContact O-N 3.04Å |
| 162 | Y | 64 | Low | 59.1 | Low | 230 Ų | 230 | 146.5 Ų | 146.5 | 90% | 0.902 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -69.4 | -16.4 | 174.4 | -73 | -88.7 | 0 | 0 | 0 | 115.2 | P160 | P160-Y162 PolarHBondContact O-N 2.88Š|
| 163 | L | 66.4 | Low | 58.8 | Low | 137 Ų | 137 | 143.2 Ų | 143.2 | 72% | 0.717 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -99.4 | -7 | 174.8 | -66.1 | 177.8 | 0 | 0 | 0 | 112.9 | P159 P160 E161 | P159-L163 HydrophobicContact CB-CB 4.36Å; P159-L163 HydrophobicContact CB-CD1 4.49Å; P160-L163 PolarHBondContact O-N 3.47Å; E161-L163 VanDerWaalsContact C-N 3.28Å; E161-L163 PolarHBondContact O-N 3.3Å |
| 164 | A | 71.8 | Confident | 58.4 | Low | 42 Ų | 42 | 146.1 Ų | 146.1 | 35% | 0.347 | 74% | 0.741 | S | S | . | * | S | Bend | trans | -81.2 | 130.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | E161 | E161-A164 PolarHBondContact O-N 3.04Š|
| 165 | P | 61.5 | Low | 57.9 | Low | 116 Ų | 116 | 148.6 Ų | 148.6 | 75% | 0.753 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 134.3 | 174 | -24.1 | 33.2 | 0 | 0 | 0 | 110.3 | A167 | P165-A167 PolarHBondContact O-N 3.2Å; P165-A167 VanDerWaalsContact O-N 3.13Å |
| 166 | P | 58.8 | Low | 57.3 | Low | 123 Ų | 123 | 150.1 Ų | 150.1 | 80% | 0.799 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -61 | 122.8 | -178 | 24.5 | -32.3 | 0 | 0 | 0 | 109.1 | E168 | P166-E168 VanDerWaalsContact C-N 3.3Å; P166-E168 PolarHBondContact O-N 3.43Å |
| 167 | A | 62.4 | Low | 56.1 | Low | 91 Ų | 91 | 152.4 Ų | 152.4 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | | | trans | -67.4 | 91 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109 | P165 R169 | P165-A167 PolarHBondContact O-N 3.2Å; P165-A167 VanDerWaalsContact O-N 3.13Å; A167-R169 PolarHBondContact O-N 3.25Å |
| 168 | E | 52.8 | Low | 55.2 | Low | 180 Ų | 180 | 153.3 Ų | 153.3 | 84% | 0.841 | 76% | 0.755 | S | S | * | * | | | trans | -67 | 97.1 | 176.1 | -164.5 | -176.4 | -168.8 | 0 | 0 | 109.2 | P166 M170 | P166-E168 VanDerWaalsContact C-N 3.3Å; P166-E168 PolarHBondContact O-N 3.43Å; E168-M170 PolarHBondContact O-N 3.1Å |
| 169 | R | 54.9 | Low | 54.6 | Low | 227 Ų | 227 | 151.8 Ų | 151.8 | 86% | 0.857 | 76% | 0.761 | S | S | * | * | | | trans | -74.7 | 97.4 | 172.9 | -64.6 | -175.9 | -175.8 | 168.9 | 2 | 108.7 | A167 K171 | A167-R169 PolarHBondContact O-N 3.25Å; R169-K171 PolarHBondContact O-N 2.99Å |
| 170 | M | 47.5 | Very low | 53.3 | Low | 185 Ų | 185 | 158 Ų | 158 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | | | trans | -53.8 | 97.9 | 164.5 | 48.9 | -176.8 | 100 | 0 | 0 | 111.1 | E168 | E168-M170 PolarHBondContact O-N 3.1Š|
| 171 | K | 47.7 | Very low | 51.9 | Low | 205 Ų | 205 | 161 Ų | 161 | 89% | 0.891 | 79% | 0.792 | S | S | * | * | | | trans | -88.4 | 107.9 | 163.9 | -96.1 | -167.2 | 170.1 | -175.8 | 0 | 109.1 | R169 | R169-K171 PolarHBondContact O-N 2.99Š|
| 172 | K | 49.4 | Very low | 50.6 | Low | 198 Ų | 198 | 162.5 Ų | 162.5 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | | | trans | -61.9 | 133 | 152.9 | -88.8 | 175.9 | 170.4 | 170.7 | 0 | 108.2 | | |
| 173 | E | 46.1 | Very low | 49.2 | Very low | 155 Ų | 155 | 162.9 Ų | 162.9 | 72% | 0.724 | 80% | 0.796 | S | S | * | * | | | | 176.6 | 124.8 | 116.9 | -93.5 | -157.1 | 120.5 | 0 | 0 | 113.4 | | |
| 174 | R | 46.6 | Very low | 47.6 | Very low | 219 Ų | 219 | 165 Ų | 165 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | | | trans | 61.6 | 121.4 | 132.6 | -59.4 | 176.2 | 88.5 | -165 | 8.1 | 121.5 | | |
| 175 | K | 45.6 | Very low | 46 | Very low | 201 Ų | 201 | 167.1 Ų | 167.1 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | | | trans | -13.7 | 139 | 152.4 | -91.8 | -177.5 | 167.7 | 178.5 | 0 | 116.2 | | |
| 176 | T | 39.6 | Very low | 44.8 | Very low | 116 Ų | 116 | 168.1 Ų | 168.1 | 71% | 0.712 | 82% | 0.824 | S | S | * | * | | | | 175.8 | 123.7 | 111.1 | -73.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 177 | K | 40.5 | Very low | 43.9 | Very low | 195 Ų | 195 | 166 Ų | 166 | 85% | 0.848 | 82% | 0.824 | S | S | * | * | | | trans | 53.7 | 137.4 | 145.5 | -61.9 | 172.5 | -176.6 | -177.9 | 0 | 123 | | |
| 178 | T | 45.4 | Very low | 42.9 | Very low | 135 Ų | 135 | 171.8 Ų | 171.8 | 83% | 0.828 | 83% | 0.833 | S | S | * | * | | | trans | -65.9 | 158.1 | 166.2 | 49.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 179 | P | 46.3 | Very low | 42.4 | Very low | 127 Ų | 127 | 170.2 Ų | 170.2 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | | | | -146.5 | 162.5 | 104.9 | 33.9 | -15.8 | 0 | 0 | 0 | 116.4 | | |
| 180 | K | 42.2 | Very low | 41.6 | Very low | 198 Ų | 198 | 165.9 Ų | 165.9 | 86% | 0.861 | 83% | 0.833 | S | S | * | * | | | trans | -65.7 | 151.2 | 175.7 | -73.9 | 177.5 | 170.6 | 176.1 | 0 | 113.9 | | |
| 181 | N | 39.7 | Very low | 41.1 | Very low | 153 Ų | 153 | 160.3 Ų | 160.3 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | | | | -173.5 | 120.4 | 129.3 | -93.4 | -43.5 | 0 | 0 | 0 | 109.4 | | |
| 182 | K | 33.4 | Very low | 41.1 | Very low | 179 Ų | 179 | 156.4 Ų | 156.4 | 78% | 0.778 | 82% | 0.819 | S | S | * | * | | | | 55.4 | 104.2 | 91.8 | -167.3 | -176.7 | -177.4 | -178.4 | 0 | 114.1 | | |
| 183 | R | 35.4 | Very low | 40.7 | Very low | 239 Ų | 239 | 155.7 Ų | 155.7 | 90% | 0.902 | 82% | 0.821 | S | S | * | * | | | | -172.4 | 148.2 | 118.4 | -101.2 | -154.5 | -173.9 | -147.6 | 4.4 | 112.9 | | |
| 184 | E | 32.1 | Very low | 40.4 | Very low | 181 Ų | 181 | 152.8 Ų | 152.8 | 85% | 0.846 | 82% | 0.824 | S | S | * | * | | | trans | -77.8 | 160.3 | -176.4 | -55.2 | 170.2 | 133.9 | 0 | 0 | 113.4 | | |
| 185 | A | 38.5 | Very low | 39.9 | Very low | 86 Ų | 86 | 146 Ų | 146 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | | | trans | 157.9 | 138.4 | 147.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 186 | T | 35.5 | Very low | 39.8 | Very low | 138 Ų | 138 | 144.7 Ų | 144.7 | 85% | 0.847 | 82% | 0.817 | S | S | * | * | | | cis | -177.2 | 147.3 | 15.9 | 18.4 | 0 | 0 | 0 | 0 | 107.2 | | |
| 187 | G | 39.7 | Very low | 39.7 | Very low | 77 Ų | 77 | 148.2 Ų | 148.2 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | | | trans | 81.8 | 96.5 | 143.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 188 | K | 42.8 | Very low | 39.9 | Very low | 214 Ų | 214 | 145.9 Ų | 145.9 | 93% | 0.93 | 82% | 0.821 | S | S | * | * | | | trans | -101.9 | 113.2 | 150.1 | -74.2 | -175.8 | 176.5 | -176.6 | 0 | 107.9 | | |
| 189 | V | 41 | Very low | 39.4 | Very low | 146 Ų | 146 | 144.7 Ų | 144.7 | 89% | 0.885 | 82% | 0.818 | S | S | * | * | | | trans | -102.5 | 140.7 | 165.2 | 156.6 | 0 | 0 | 0 | 0 | 108.5 | | |
| 190 | V | 39.3 | Very low | 39.3 | Very low | 136 Ų | 136 | 144 Ų | 144 | 82% | 0.824 | 82% | 0.823 | S | S | * | * | | | trans | -68.2 | 149.8 | -174.1 | 170.5 | 0 | 0 | 0 | 0 | 113 | | |
| 191 | G | 35.5 | Very low | 39.2 | Very low | 69 Ų | 69 | 140.1 Ų | 140.1 | 71% | 0.711 | 82% | 0.82 | S | S | * | * | | | trans | -161.3 | 130.1 | 160.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 192 | P | 49.4 | Very low | 39.6 | Very low | 122 Ų | 122 | 136.7 Ų | 136.7 | 79% | 0.792 | 82% | 0.822 | S | S | * | * | | | trans | -100.9 | 153.4 | -157.4 | 38.2 | -34.1 | 0 | 0 | 0 | 116.5 | | |
| 193 | M | 40.3 | Very low | 39.8 | Very low | 184 Ų | 184 | 132.4 Ų | 132.4 | 91% | 0.906 | 82% | 0.819 | S | S | * | * | | | trans | 35.3 | 125.6 | 136.8 | -142.5 | 77.7 | 156.7 | 0 | 0 | 122.1 | | |
| 194 | A | 40.6 | Very low | 40.2 | Very low | 94 Ų | 94 | 126.2 Ų | 126.2 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | | | trans | 63.3 | 121.7 | 141.4 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 195 | A | 35.6 | Very low | 40.5 | Very low | 75 Ų | 75 | 129 Ų | 129 | 62% | 0.62 | 81% | 0.813 | S | S | * | * | | | | -163.3 | 110.4 | 120.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y197 | A195-Y197 HydrophobicContact CB-CD1 3.94Å; A195-Y197 HydrophobicContact CB-CE1 3.59Å |
| 196 | N | 43.7 | Very low | 40.9 | Very low | 175 Ų | 175 | 131 Ų | 131 | 94% | 0.936 | 82% | 0.816 | S | S | * | * | | | trans | -78.9 | 122.1 | 158.6 | -98.2 | -4.2 | 0 | 0 | 0 | 107.9 | | |
| 197 | Y | 36.6 | Very low | 41.1 | Very low | 189 Ų | 189 | 128.6 Ų | 128.6 | 74% | 0.741 | 81% | 0.81 | S | S | * | * | | | trans | -145.8 | 109.4 | 152.5 | 40.5 | -93.3 | 0 | 0 | 0 | 108.7 | A195 S199 | A195-Y197 HydrophobicContact CB-CD1 3.94Å; A195-Y197 HydrophobicContact CB-CE1 3.59Å; Y197-S199 PolarHBondContact O-N 2.84Å |
| 198 | T | 45.9 | Very low | 41.7 | Very low | 147 Ų | 147 | 130.6 Ų | 130.6 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | | | trans | -61.8 | 119.5 | 158.7 | 9.8 | 0 | 0 | 0 | 0 | 108.4 | | |
| 199 | S | 34.5 | Very low | 42.1 | Very low | 110 Ų | 110 | 122.9 Ų | 122.9 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | | | trans | -150.3 | 110.9 | 160.6 | -76.9 | 0 | 0 | 0 | 0 | 108.5 | Y197 S201 | Y197-S199 PolarHBondContact O-N 2.84Å; S199-S201 PolarHBondContact O-N 3.09Å |
| 200 | A | 44.1 | Very low | 42.8 | Very low | 112 Ų | 112 | 121.9 Ų | 121.9 | 93% | 0.926 | 79% | 0.79 | S | S | * | * | | | trans | -65 | 123.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 201 | S | 39.8 | Very low | 43.2 | Very low | 116 Ų | 116 | 124.2 Ų | 124.2 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | | | trans | -142.3 | 133.9 | 153.2 | 84.7 | 0 | 0 | 0 | 0 | 108.6 | S199 | S199-S201 PolarHBondContact O-N 3.09Š|
| 202 | G | 48.7 | Very low | 44.2 | Very low | 82 Ų | 82 | 125.5 Ų | 125.5 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | | | trans | -68.9 | 136.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 203 | A | 37.3 | Very low | 44.1 | Very low | 88 Ų | 88 | 127.7 Ų | 127.7 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | trans | -104.1 | 142.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 204 | P | 42.9 | Very low | 45.2 | Very low | 109 Ų | 109 | 123.1 Ų | 123.1 | 71% | 0.708 | 76% | 0.762 | S | S | * | * | | | trans | -66.8 | 135.8 | 167.9 | 29.3 | -31.7 | 0 | 0 | 0 | 109 | T206 | P204-T206 VanDerWaalsContact C-N 3.29Å; P204-T206 PolarHBondContact O-N 2.91Å |
| 205 | R | 39 | Very low | 46.3 | Very low | 241 Ų | 241 | 122.7 Ų | 122.7 | 91% | 0.909 | 75% | 0.752 | S | S | * | * | | | trans | -71.3 | 82.1 | 176.2 | -64.3 | 172.9 | 70.6 | -142.1 | 3.9 | 109.7 | A207 | R205-A207 VanDerWaalsContact C-N 3.31Å; R205-A207 PolarHBondContact O-N 2.94Å |
| 206 | T | 46 | Very low | 47.4 | Very low | 127 Ų | 127 | 127.9 Ų | 127.9 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | | | trans | -86.8 | 77.9 | 158.1 | 51.4 | 0 | 0 | 0 | 0 | 108.1 | P204 S208 | P204-T206 VanDerWaalsContact C-N 3.29Å; P204-T206 PolarHBondContact O-N 2.91Å; T206-S208 VanDerWaalsContact C-N 3.3Å; T206-S208 PolarHBondContact O-N 3.36Å; T206-S208 VanDerWaalsContact O-N 3.15Å |
| 207 | A | 40.8 | Very low | 48.1 | Very low | 87 Ų | 87 | 128 Ų | 128 | 72% | 0.719 | 76% | 0.755 | S | S | * | * | | | trans | -83.6 | 80.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | R205 G209 | R205-A207 VanDerWaalsContact C-N 3.31Å; R205-A207 PolarHBondContact O-N 2.94Å; A207-G209 PolarHBondContact O-N 3.33Å |
| 208 | S | 51.1 | Low | 48.9 | Very low | 119 Ų | 119 | 126.6 Ų | 126.6 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | | | trans | -69.6 | 79.7 | 149.7 | 65 | 0 | 0 | 0 | 0 | 106.9 | T206 | T206-S208 VanDerWaalsContact C-N 3.3Å; T206-S208 PolarHBondContact O-N 3.36Å; T206-S208 VanDerWaalsContact O-N 3.15Å |
| 209 | G | 52 | Low | 49.5 | Very low | 53 Ų | 53 | 126.5 Ų | 126.5 | 55% | 0.546 | 75% | 0.75 | S | S | . | * | | | trans | -64.7 | 141.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | A207 F211 | A207-G209 PolarHBondContact O-N 3.33Å; G209-F211 PolarHBondContact O-N 3.2Å; G209-F211 VanDerWaalsContact O-N 3.13Å |
| 210 | P | 56.5 | Low | 50.3 | Low | 124 Ų | 124 | 126.8 Ų | 126.8 | 81% | 0.805 | 75% | 0.752 | S | S | * | * | | | trans | -57.3 | 123.6 | 169.5 | 24.7 | -31.5 | 0 | 0 | 0 | 107.7 | S212 | P210-S212 VanDerWaalsContact C-N 3.33Å; P210-S212 PolarHBondContact O-N 2.91Å |
| 211 | F | 46.9 | Very low | 50.6 | Low | 185 Ų | 185 | 125 Ų | 125 | 81% | 0.811 | 75% | 0.746 | S | S | * | * | | | trans | -59.2 | 95 | 178 | -142.8 | -85.4 | 0 | 0 | 0 | 107.8 | G209 W213 | G209-F211 PolarHBondContact O-N 3.2Å; G209-F211 VanDerWaalsContact O-N 3.13Å; F211-W213 AromaticContact CD1-CD1 3.52Å; F211-W213 AromaticContact CD1-NE1 3.45Å; F211-W213 AromaticContact CE1-NE1 3.55Å; F211-W213 PolarHBondContact O-N 2.91Å |
| 212 | S | 56.7 | Low | 51 | Low | 96 Ų | 96 | 127.3 Ų | 127.3 | 67% | 0.671 | 75% | 0.749 | S | S | * | * | | | trans | -80.2 | 86.3 | -171.9 | 66.2 | 0 | 0 | 0 | 0 | 109.6 | P210 V214 | P210-S212 VanDerWaalsContact C-N 3.33Å; P210-S212 PolarHBondContact O-N 2.91Å; S212-V214 PolarHBondContact O-N 3.29Å |
| 213 | W | 48.2 | Very low | 50.7 | Low | 169 Ų | 169 | 128.3 Ų | 128.3 | 64% | 0.64 | 75% | 0.749 | S | S | * | * | | | trans | -71.2 | 5.6 | 167.4 | -91 | 86.9 | 0 | 0 | 0 | 113.3 | E56 F211 P215 | E56-W213 WeakPolarHBondContact OE1-CH2 3.49Å; F211-W213 AromaticContact CD1-CD1 3.52Å; F211-W213 AromaticContact CD1-NE1 3.45Å; F211-W213 AromaticContact CE1-NE1 3.55Å; F211-W213 PolarHBondContact O-N 2.91Å; W213-P215 WeakPolarHBondContact O-CD 3.31Å |
| 214 | V | 63 | Low | 51 | Low | 87 Ų | 87 | 128 Ų | 128 | 53% | 0.527 | 75% | 0.747 | S | S | . | * | S | Bend | trans | -88.6 | 119.8 | -178 | -175.8 | 0 | 0 | 0 | 0 | 109.4 | S212 K216 | S212-V214 PolarHBondContact O-N 3.29Å; V214-K216 PolarHBondContact O-N 3.33Å |
| 215 | P | 62.3 | Low | 51.2 | Low | 86 Ų | 86 | 130 Ų | 130 | 56% | 0.558 | 75% | 0.751 | S | S | * | * | | | trans | -55.4 | 122.1 | 169.3 | -24.7 | 35.3 | 0 | 0 | 0 | 110.1 | W213 Q217 M218 | W213-P215 WeakPolarHBondContact O-CD 3.31Å; P215-Q217 PolarHBondContact O-N 3.42Å; P215-M218 PolarHBondContact O-N 3.18Å; P215-M218 VanDerWaalsContact O-N 3.17Å |
| 216 | K | 59.3 | Low | 51.7 | Low | 183 Ų | 183 | 127.5 Ų | 127.5 | 80% | 0.796 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -54.7 | -15.2 | 179.8 | -74.4 | -178.5 | 163.8 | -177.5 | 0 | 114.1 | V214 M218 L219 | V214-K216 PolarHBondContact O-N 3.33Å; K216-M218 PolarHBondContact O-N 2.86Å; K216-L219 PolarHBondContact O-N 3.03Å |
| 217 | Q | 59.5 | Low | 51.8 | Low | 179 Ų | 179 | 129.4 Ų | 129.4 | 84% | 0.836 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -70.9 | -14.5 | -179.9 | -61.4 | -170.6 | 3 | 0 | 0 | 114 | P215 L219 | P215-Q217 PolarHBondContact O-N 3.42Å; Q217-L219 VanDerWaalsContact C-N 3.33Å |
| 218 | M | 53.3 | Low | 52 | Low | 159 Ų | 159 | 128.8 Ų | 128.8 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -85.3 | -0.3 | 177.9 | -66.7 | -171.4 | 69.1 | 0 | 0 | 114.4 | P215 K216 | P215-M218 PolarHBondContact O-N 3.18Å; P215-M218 VanDerWaalsContact O-N 3.17Å; K216-M218 PolarHBondContact O-N 2.86Å |
| 219 | L | 58 | Low | 51.6 | Low | 144 Ų | 144 | 131.7 Ų | 131.7 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -112.4 | -4.7 | -175.8 | -72.2 | 153.5 | 0 | 0 | 0 | 114.3 | K216 Q217 | K216-L219 PolarHBondContact O-N 3.03Å; Q217-L219 VanDerWaalsContact C-N 3.33Å |
| 220 | S | 50.6 | Low | 51.5 | Low | 116 Ų | 116 | 134.7 Ų | 134.7 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | | | trans | -103.4 | 82.4 | 175.3 | -75.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 221 | G | 50.9 | Low | 50.8 | Low | 76 Ų | 76 | 136.6 Ų | 136.6 | 78% | 0.784 | 77% | 0.769 | S | S | * | * | | | trans | -129.8 | 56 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 222 | D | 48.8 | Very low | 50.7 | Low | 164 Ų | 164 | 131.2 Ų | 131.2 | 88% | 0.877 | 77% | 0.765 | S | S | * | * | | | trans | -176.3 | 96.5 | 155.1 | -160.7 | 38.1 | 0 | 0 | 0 | 109.6 | | |
| 223 | A | 41.4 | Very low | 50 | Low | 102 Ų | 102 | 133.6 Ų | 133.6 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | | | trans | -162.2 | 115.9 | 159.2 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 224 | A | 44.4 | Very low | 50.1 | Low | 83 Ų | 83 | 131.1 Ų | 131.1 | 69% | 0.686 | 78% | 0.779 | S | S | * | * | | | trans | -67.3 | 154.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 225 | D | 46.2 | Very low | 49.6 | Very low | 151 Ų | 151 | 133.4 Ų | 133.4 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | | | trans | 44.2 | 120.6 | 151.4 | -49.3 | -38.4 | 0 | 0 | 0 | 119.7 | | |
| 226 | E | 50.7 | Low | 49 | Very low | 187 Ų | 187 | 140.6 Ų | 140.6 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | | | | -165.9 | 128.4 | 123.6 | -103.3 | -81.2 | 140.8 | 0 | 0 | 110 | | |
| 227 | E | 46.8 | Very low | 48.4 | Very low | 167 Ų | 167 | 135 Ų | 135 | 78% | 0.78 | 80% | 0.799 | S | S | * | * | | | trans | -59.8 | 142.2 | 173.6 | -62.6 | -97.2 | 152.4 | 0 | 0 | 110 | | |
| 228 | G | 45.4 | Very low | 47.8 | Very low | 74 Ų | 74 | 134.2 Ų | 134.2 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | | | trans | -155 | 73.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | S230 | G228-S230 PolarHBondContact O-N 2.9Š|
| 229 | E | 42.1 | Very low | 47.5 | Very low | 180 Ų | 180 | 135.3 Ų | 135.3 | 84% | 0.841 | 80% | 0.803 | S | S | * | * | | | trans | -55.8 | 124.9 | 168.7 | -56.5 | 164.8 | 143.2 | 0 | 0 | 109.3 | | |
| 230 | S | 49.5 | Very low | 47 | Very low | 117 Ų | 117 | 133.6 Ų | 133.6 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | -148 | 95.8 | 161.5 | -173.6 | 0 | 0 | 0 | 0 | 108.6 | G228 | G228-S230 PolarHBondContact O-N 2.9Š|
| 231 | D | 42.7 | Very low | 46.8 | Very low | 164 Ų | 164 | 138.9 Ų | 138.9 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | | | trans | -57.7 | 135.4 | 160.8 | -69.2 | -50.9 | 0 | 0 | 0 | 109.9 | | |
| 232 | G | 44.4 | Very low | 46.4 | Very low | 72 Ų | 72 | 138.5 Ų | 138.5 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | | | trans | -156.1 | 71.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 233 | D | 41.9 | Very low | 46.3 | Very low | 146 Ų | 146 | 140.5 Ų | 140.5 | 78% | 0.781 | 80% | 0.797 | S | S | * | * | | | trans | -55.5 | 127.7 | 164.9 | 178.2 | 32.7 | 0 | 0 | 0 | 110.3 | | |
| 234 | S | 51.3 | Low | 46.5 | Very low | 117 Ų | 117 | 138.6 Ų | 138.6 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | -158.6 | 79.1 | 163 | -74.2 | 0 | 0 | 0 | 0 | 108.1 | R236 | S234-R236 PolarHBondContact O-N 3.11Š|
| 235 | D | 52.3 | Low | 46.5 | Very low | 134 Ų | 134 | 142.3 Ų | 142.3 | 72% | 0.717 | 80% | 0.796 | S | S | * | * | | | trans | -23.6 | 120.7 | 135.3 | 178.7 | 37.3 | 0 | 0 | 0 | 113.3 | | |
| 236 | R | 48.5 | Very low | 46.5 | Very low | 238 Ų | 238 | 144.3 Ų | 144.3 | 90% | 0.898 | 80% | 0.8 | S | S | * | * | | | trans | -174.3 | 106.4 | 140 | -101.4 | 166.6 | -163.9 | -155.5 | 4 | 109.5 | S234 | S234-R236 PolarHBondContact O-N 3.11Š|
| 237 | G | 46.7 | Very low | 46.7 | Very low | 66 Ų | 66 | 139.5 Ų | 139.5 | 68% | 0.68 | 79% | 0.792 | S | S | * | * | | | trans | -63.1 | 141.8 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 238 | D | 47.9 | Very low | 47 | Very low | 161 Ų | 161 | 139.9 Ų | 139.9 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | | | trans | -145.6 | 101.7 | 155.7 | -168.3 | 31.4 | 0 | 0 | 0 | 106.6 | | |
| 239 | E | 47 | Very low | 47.6 | Very low | 182 Ų | 182 | 143.7 Ų | 143.7 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | | | trans | -119.8 | 98.4 | 171.7 | 40 | -173.7 | 120.7 | 0 | 0 | 106.3 | | |
| 240 | D | 46.3 | Very low | 48.7 | Very low | 109 Ų | 109 | 140.1 Ų | 140.1 | 58% | 0.583 | 79% | 0.787 | S | S | * | * | | | trans | -168.1 | 120.7 | 156.5 | -138.4 | 21.3 | 0 | 0 | 0 | 114 | | |
| 241 | R | 47.3 | Very low | 49 | Very low | 226 Ų | 226 | 141.2 Ų | 141.2 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | | | trans | 75.6 | 133.5 | 134.2 | -78.9 | 171.1 | -151.1 | -171.2 | 3.5 | 124.6 | | |
| 242 | G | 42.8 | Very low | 50.2 | Low | 68 Ų | 68 | 140.3 Ų | 140.3 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | | | trans | 110.6 | 94.3 | 156.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 243 | E | 46.8 | Very low | 51.1 | Low | 206 Ų | 206 | 143.4 Ų | 143.4 | 96% | 0.963 | 78% | 0.775 | S | S | * | * | | | | 43 | 105.3 | 52.6 | -161.7 | 173.4 | -162.1 | 0 | 0 | 112.2 | | |
| 244 | G | 45.7 | Very low | 52.2 | Low | 62 Ų | 62 | 142 Ų | 142 | 64% | 0.639 | 77% | 0.774 | S | S | * | * | | | trans | 155 | 111 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 245 | D | 44.8 | Very low | 52.5 | Low | 162 Ų | 162 | 144 Ų | 144 | 87% | 0.866 | 78% | 0.775 | S | S | * | * | | | trans | 85.5 | 69 | 153.9 | -48 | -14.5 | 0 | 0 | 0 | 116.9 | A247 | D245-A247 VanDerWaalsContact C-N 3.3Å; D245-A247 PolarHBondContact O-N 3.34Å |
| 246 | E | 46.1 | Very low | 52.5 | Low | 193 Ų | 193 | 150.3 Ų | 150.3 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | | | trans | -57.9 | 96.6 | 142.3 | 56.5 | -163.7 | 160.3 | 0 | 0 | 109 | E248 | E246-E248 PolarHBondContact O-N 3.14Š|
| 247 | A | 53.4 | Low | 52.7 | Low | 85 Ų | 85 | 145.9 Ų | 145.9 | 70% | 0.702 | 80% | 0.795 | S | S | * | * | | | trans | -62.2 | 105.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108 | D245 L249 | D245-A247 VanDerWaalsContact C-N 3.3Å; D245-A247 PolarHBondContact O-N 3.34Å; A247-L249 PolarHBondContact O-N 2.95Å |
| 248 | E | 54.5 | Low | 53.1 | Low | 175 Ų | 175 | 150.1 Ų | 150.1 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -51.4 | 96.7 | 169.8 | -167.4 | 179.5 | -158.4 | 0 | 0 | 109 | E246 V250 | E246-E248 PolarHBondContact O-N 3.14Å; E248-V250 VanDerWaalsContact C-N 3.26Å; E248-V250 HydrophobicContact CG-CG2 4.16Å; E248-V250 PolarHBondContact O-N 2.83Å |
| 249 | L | 57.5 | Low | 53.3 | Low | 155 Ų | 155 | 149.5 Ų | 149.5 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | | | trans | -73 | 86.7 | 171.4 | -69.8 | 173.9 | 0 | 0 | 0 | 107.6 | A247 I251 | A247-L249 PolarHBondContact O-N 2.95Å; L249-I251 PolarHBondContact O-N 3.07Å |
| 250 | V | 64.3 | Low | 53.7 | Low | 105 Ų | 105 | 147.6 Ų | 147.6 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | | | trans | -64.9 | 99.4 | 167.1 | -179.5 | 0 | 0 | 0 | 0 | 107.4 | E248 D252 | E248-V250 VanDerWaalsContact C-N 3.26Å; E248-V250 HydrophobicContact CG-CG2 4.16Å; E248-V250 PolarHBondContact O-N 2.83Å; V250-D252 PolarHBondContact O-N 2.98Å |
| 251 | I | 57.3 | Low | 54.2 | Low | 139 Ų | 139 | 150 Ų | 150 | 71% | 0.713 | 81% | 0.808 | S | S | * | * | | | trans | -83.7 | 99.6 | 170.5 | -58.9 | 170.9 | 0 | 0 | 0 | 106.3 | L249 I253 | L249-I251 PolarHBondContact O-N 3.07Å; I251-I253 HydrophobicContact CG2-CG1 4.06Å; I251-I253 PolarHBondContact O-N 3.32Å; I251-I253 VanDerWaalsContact O-N 3.09Å |
| 252 | D | 67.8 | Low | 54.6 | Low | 145 Ų | 145 | 144.9 Ų | 144.9 | 78% | 0.775 | 81% | 0.805 | S | S | * | * | | | trans | -65.2 | 105.9 | 165.6 | -85 | -31 | 0 | 0 | 0 | 108.5 | V250 P254 | V250-D252 PolarHBondContact O-N 2.98Å; D252-P254 WeakPolarHBondContact O-CD 3.32Å |
| 253 | I | 63.4 | Low | 55.5 | Low | 137 Ų | 137 | 150.4 Ų | 150.4 | 70% | 0.703 | 81% | 0.813 | S | S | * | * | | | trans | -88.7 | 111 | 168.6 | -59.4 | 173.8 | 0 | 0 | 0 | 106.5 | I251 N255 | I251-I253 HydrophobicContact CG2-CG1 4.06Å; I251-I253 PolarHBondContact O-N 3.32Å; I251-I253 VanDerWaalsContact O-N 3.09Å; I253-N255 PolarHBondContact O-N 3.34Å |
| 254 | P | 64.3 | Low | 56.1 | Low | 116 Ų | 116 | 146.2 Ų | 146.2 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | | | trans | -66.8 | 129.5 | 170.4 | 26.8 | -31.6 | 0 | 0 | 0 | 109.4 | D252 E256 | D252-P254 WeakPolarHBondContact O-CD 3.32Å; P254-E256 PolarHBondContact O-N 3.18Å |
| 255 | N | 57.6 | Low | 57 | Low | 160 Ų | 160 | 153.2 Ų | 153.2 | 86% | 0.856 | 82% | 0.815 | S | S | * | * | | | trans | -87.5 | 89.6 | 175.9 | -127.2 | 43.3 | 0 | 0 | 0 | 108.4 | I253 | I253-N255 PolarHBondContact O-N 3.34Š|
| 256 | E | 53.5 | Low | 58.1 | Low | 266 Ų | 266 | 152.4 Ų | 152.4 | 100% | 1.243 | 81% | 0.81 | S | S | * | * | | | trans | -145.6 | 0 | 160.1 | -66.1 | -163.7 | -173.1 | 0 | 0 | 111.6 | P254 | P254-E256 PolarHBondContact O-N 3.18Š|