| 1 | M | 43.3 | Very low | 70.3 | Confident | 245 Ų | 245 | 162.6 Ų | 162.6 | 100% | 1.207 | 86% | 0.859 | S | S | * | * | | | | 0 | 98.3 | 0 | -73.3 | -75.2 | -171.3 | 0 | 0 | 108.4 | | |
| 2 | A | 62 | Low | 70 | Confident | 103 Ų | 103 | 162.3 Ų | 162.3 | 85% | 0.851 | 85% | 0.846 | S | S | * | * | | | trans | -83.1 | 118.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | R4 | A2-R4 PolarHBondContact O-N 3.49Š|
| 3 | K | 72.7 | Confident | 70.1 | Confident | 205 Ų | 205 | 167.8 Ų | 167.8 | 89% | 0.891 | 85% | 0.849 | S | S | * | * | | | trans | -72.7 | 115.2 | 174.4 | -73.9 | 175.7 | 174.9 | 176.2 | 0 | 108.5 | R5 | K3-R5 PolarHBondContact O-N 3.24Š|
| 4 | R | 72.4 | Confident | 70.3 | Confident | 246 Ų | 246 | 162.4 Ų | 162.4 | 93% | 0.928 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 128 | 169.7 | -69.3 | 179.9 | 173.3 | 174.1 | -2.9 | 108.1 | A2 | A2-R4 PolarHBondContact O-N 3.49Š|
| 5 | R | 74.1 | Confident | 70.2 | Confident | 241 Ų | 241 | 159.5 Ų | 159.5 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -70 | 134.3 | 171.4 | -68.5 | -171.8 | 177 | 179.8 | -0.5 | 108.3 | K3 A7 | K3-R5 PolarHBondContact O-N 3.24Å; R5-A7 PolarHBondContact O-N 3.2Å |
| 6 | A | 73.8 | Confident | 69.1 | Low | 97 Ų | 97 | 161.8 Ų | 161.8 | 80% | 0.802 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 132.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 7 | A | 75.1 | Confident | 68.9 | Low | 99 Ų | 99 | 161.4 Ų | 161.4 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 132.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | R5 | R5-A7 PolarHBondContact O-N 3.2Š|
| 8 | E | 76.8 | Confident | 68.8 | Low | 181 Ų | 181 | 164.6 Ų | 164.6 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 138.2 | 174.9 | -66.3 | -164.5 | 163 | 0 | 0 | 110.2 | L10 | E8-L10 PolarHBondContact O-N 3.33Š|
| 9 | P | 74.1 | Confident | 68.4 | Low | 115 Ų | 115 | 163.6 Ų | 163.6 | 75% | 0.747 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 116.4 | 177.8 | 27.5 | -32.2 | 0 | 0 | 0 | 109.8 | T11 | P9-T11 PolarHBondContact O-N 3.14Š|
| 10 | L | 74.6 | Confident | 67.9 | Low | 136 Ų | 136 | 163.6 Ų | 163.6 | 71% | 0.712 | 81% | 0.811 | S | S | * | * | | | trans | -67.2 | 101.4 | 174 | -173 | 60.6 | 0 | 0 | 0 | 109.2 | E8 F12 | E8-L10 PolarHBondContact O-N 3.33Å; L10-F12 HydrophobicContact CB-CE2 4.34Å; L10-F12 HydrophobicContact CD2-CE1 4.05Å; L10-F12 HydrophobicContact CD2-CE2 3.62Å; L10-F12 HydrophobicContact CD2-CZ 3.23Å; L10-F12 HydrophobicContact CG-CD2 4.34Å; L10-F12 HydrophobicContact CG-CE1 4.22Å; L10-F12 HydrophobicContact CG-CE2 3.66Å; L10-F12 HydrophobicContact CG-CZ 3.62Å |
| 11 | T | 74.4 | Confident | 67.1 | Low | 121 Ų | 121 | 161.9 Ų | 161.9 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | | | trans | -89.7 | 117.2 | 176.7 | 61.8 | 0 | 0 | 0 | 0 | 109.8 | P9 | P9-T11 PolarHBondContact O-N 3.14Š|
| 12 | F | 66.6 | Low | 67.7 | Low | 159 Ų | 159 | 155.3 Ų | 155.3 | 70% | 0.697 | 78% | 0.782 | S | S | * | * | | | trans | -90.4 | 121.5 | 174.8 | -65.6 | -84.4 | 0 | 0 | 0 | 109.6 | L10 V14 | L10-F12 HydrophobicContact CB-CE2 4.34Å; L10-F12 HydrophobicContact CD2-CE1 4.05Å; L10-F12 HydrophobicContact CD2-CE2 3.62Å; L10-F12 HydrophobicContact CD2-CZ 3.23Å; L10-F12 HydrophobicContact CG-CD2 4.34Å; L10-F12 HydrophobicContact CG-CE1 4.22Å; L10-F12 HydrophobicContact CG-CE2 3.66Å; L10-F12 HydrophobicContact CG-CZ 3.62Å; F12-V14 PolarHBondContact O-N 3.05Å |
| 13 | R | 71.6 | Confident | 67.3 | Low | 234 Ų | 234 | 157.1 Ų | 157.1 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | | | trans | -76.2 | 109.4 | 167.3 | -81.4 | -162.3 | 153.6 | -146.9 | -4.1 | 108.9 | | |
| 14 | V | 72.8 | Confident | 66.1 | Low | 91 Ų | 91 | 156 Ų | 156 | 55% | 0.552 | 77% | 0.773 | S | S | * | * | | | trans | -86.7 | 123.4 | 174.8 | -166.1 | 0 | 0 | 0 | 0 | 107.8 | F12 W16 | F12-V14 PolarHBondContact O-N 3.05Å; V14-W16 VanDerWaalsContact C-N 3.25Å; V14-W16 HydrophobicContact CB-CG 4.42Å; V14-W16 VanDerWaalsContact CB-NE1 3.31Å; V14-W16 HydrophobicContact CG1-CB 4.42Å; V14-W16 HydrophobicContact CG1-CG 3.82Å; V14-W16 VanDerWaalsContact O-CD1 3.28Å; V14-W16 PolarHBondContact O-N 3.03Å |
| 15 | P | 68.9 | Low | 65.2 | Low | 119 Ų | 119 | 149.7 Ų | 149.7 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | 9.6 | -172.7 | 32.4 | -34.2 | 0 | 0 | 0 | 114.3 | K17 | P15-K17 PolarHBondContact O-N 3.27Š|
| 16 | W | 52.4 | Low | 64.6 | Low | 197 Ų | 197 | 147.8 Ų | 147.8 | 75% | 0.746 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -14.1 | 173.5 | 66.5 | -46.3 | 0 | 0 | 0 | 114.6 | V14 R18 | V14-W16 VanDerWaalsContact C-N 3.25Å; V14-W16 HydrophobicContact CB-CG 4.42Å; V14-W16 VanDerWaalsContact CB-NE1 3.31Å; V14-W16 HydrophobicContact CG1-CB 4.42Å; V14-W16 HydrophobicContact CG1-CG 3.82Å; V14-W16 VanDerWaalsContact O-CD1 3.28Å; V14-W16 PolarHBondContact O-N 3.03Å; W16-R18 PolarHBondContact O-N 2.89Å |
| 17 | K | 65.6 | Low | 64 | Low | 155 Ų | 155 | 150.5 Ų | 150.5 | 67% | 0.674 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -90 | 95.8 | 169.8 | -65.2 | -170.3 | -179.5 | -176.8 | 0 | 108.4 | P15 L19 | P15-K17 PolarHBondContact O-N 3.27Å; K17-L19 PolarHBondContact O-N 3.3Å |
| 18 | R | 66.9 | Low | 63.9 | Low | 219 Ų | 219 | 149.8 Ų | 149.8 | 83% | 0.826 | 75% | 0.748 | S | S | * | * | | | trans | -52.2 | 103.6 | 166.1 | -68.9 | -179.3 | -76.2 | -146.6 | -2 | 108.2 | W16 L20 | W16-R18 PolarHBondContact O-N 2.89Å; R18-L20 PolarHBondContact O-N 3.05Å |
| 19 | L | 61.8 | Low | 63.6 | Low | 146 Ų | 146 | 144.4 Ų | 144.4 | 76% | 0.764 | 73% | 0.729 | S | S | * | * | | | trans | -67.1 | 110.7 | 160.1 | -65.3 | 173.9 | 0 | 0 | 0 | 104.5 | K17 L21 | K17-L19 PolarHBondContact O-N 3.3Å; L19-L21 PolarHBondContact O-N 2.64Å |
| 20 | L | 58.4 | Low | 63 | Low | 163 Ų | 163 | 147 Ų | 147 | 85% | 0.853 | 74% | 0.736 | S | S | * | * | | | trans | -65 | 85.2 | 169.1 | -73.8 | 163.3 | 0 | 0 | 0 | 106.9 | R18 S22 | R18-L20 PolarHBondContact O-N 3.05Å; L20-S22 PolarHBondContact O-N 3.39Å |
| 21 | L | 51.5 | Low | 62.1 | Low | 127 Ų | 127 | 150 Ų | 150 | 67% | 0.665 | 74% | 0.738 | S | S | * | * | | | trans | -78.6 | 102.2 | 162.7 | -170.5 | 63.2 | 0 | 0 | 0 | 105.7 | L19 D23 | L19-L21 PolarHBondContact O-N 2.64Å; L21-D23 PolarHBondContact O-N 3.26Å |
| 22 | S | 56.3 | Low | 61.7 | Low | 107 Ų | 107 | 147 Ų | 147 | 75% | 0.748 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -73.2 | 46.1 | -173.4 | -59.7 | 0 | 0 | 0 | 0 | 113.9 | L20 | L20-S22 PolarHBondContact O-N 3.39Š|
| 23 | D | 52 | Low | 61.5 | Low | 141 Ų | 141 | 144.3 Ų | 144.3 | 75% | 0.754 | 72% | 0.718 | S | S | * | * | | | trans | -138.4 | 38.1 | 179 | -64.2 | -50.8 | 0 | 0 | 0 | 112.6 | L21 | L21-D23 PolarHBondContact O-N 3.26Š|
| 24 | F | 49.1 | Very low | 61.2 | Low | 183 Ų | 183 | 139 Ų | 139 | 80% | 0.803 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -101 | 139.1 | 165.1 | -86.3 | -89.3 | 0 | 0 | 0 | 109.7 | E26 | F24-E26 PolarHBondContact O-N 2.9Š|
| 25 | P | 53 | Low | 60.7 | Low | 112 Ų | 112 | 141 Ų | 141 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | | | trans | -56.7 | 141.3 | 179.5 | 23.9 | -32.7 | 0 | 0 | 0 | 110.4 | E27 | P25-E27 PolarHBondContact O-N 2.72Š|
| 26 | E | 60.2 | Low | 59.9 | Low | 201 Ų | 201 | 138.6 Ų | 138.6 | 94% | 0.939 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -61.2 | 61.3 | -177.6 | -170.4 | 179.6 | 164 | 0 | 0 | 112.5 | F24 | F24-E26 PolarHBondContact O-N 2.9Š|
| 27 | E | 61.8 | Low | 59.6 | Low | 155 Ų | 155 | 132.1 Ų | 132.1 | 72% | 0.724 | 72% | 0.717 | S | S | * | * | | | trans | -131.8 | 114.4 | 167 | -162.4 | 171.5 | -179.6 | 0 | 0 | 109.6 | P25 | P25-E27 PolarHBondContact O-N 2.72Š|
| 28 | P | 72.5 | Confident | 59 | Low | 83 Ų | 83 | 130 Ų | 130 | 54% | 0.539 | 73% | 0.728 | S | S | . | * | | | trans | -65.1 | 138.7 | 177.2 | 27.6 | -32.5 | 0 | 0 | 0 | 109 | V32 | P28-V32 HydrophobicContact CB-CB 3.99Å; P28-V32 HydrophobicContact CB-CG1 4.09Å; P28-V32 HydrophobicContact CB-CG2 4.12Å |
| 29 | P | 70.5 | Confident | 58.5 | Low | 68 Ų | 68 | 129.8 Ų | 129.8 | 44% | 0.442 | 73% | 0.727 | S | S | . | * | | | trans | -59.4 | 144.8 | -179 | 24 | -32.7 | 0 | 0 | 0 | 110.7 | W31 V32 | P29-W31 HydrophobicContact CG-CD2 4.38Å; P29-W31 HydrophobicContact CG-CZ2 3.64Å; P29-W31 PolarHBondContact O-N 2.89Å; P29-V32 HydrophobicContact CG-CG2 3.98Å; P29-V32 VanDerWaalsContact O-CB 3.31Å; P29-V32 WeakPolarHBondContact O-CB 3.32Å; P29-V32 WeakPolarHBondContact O-CG2 3.37Å; P29-V32 PolarHBondContact O-N 2.85Å |
| 30 | L | 61.7 | Low | 58.2 | Low | 170 Ų | 170 | 128.9 Ų | 128.9 | 89% | 0.89 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.6 | -14.1 | -169.1 | -64.5 | 170.3 | 0 | 0 | 0 | 116.5 | V32 | L30-V32 VanDerWaalsContact C-N 3.32Š|
| 31 | W | 57.1 | Low | 57.9 | Low | 200 Ų | 200 | 132.6 Ų | 132.6 | 76% | 0.758 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -8.5 | 173.3 | 57.7 | -97 | 0 | 0 | 0 | 113.3 | P29 P33 | P29-W31 HydrophobicContact CG-CD2 4.38Å; P29-W31 HydrophobicContact CG-CZ2 3.64Å; P29-W31 PolarHBondContact O-N 2.89Å; W31-P33 VanDerWaalsContact O-CD 3.31Å; W31-P33 WeakPolarHBondContact O-CD 3.15Å |
| 32 | V | 65.7 | Low | 58.4 | Low | 56 Ų | 56 | 136 Ų | 136 | 34% | 0.339 | 75% | 0.745 | S | S | . | * | S | Bend | trans | -78.7 | 113 | 170.4 | 179.6 | 0 | 0 | 0 | 0 | 107.1 | P28 P29 L30 | P28-V32 HydrophobicContact CB-CB 3.99Å; P28-V32 HydrophobicContact CB-CG1 4.09Å; P28-V32 HydrophobicContact CB-CG2 4.12Å; P29-V32 HydrophobicContact CG-CG2 3.98Å; P29-V32 VanDerWaalsContact O-CB 3.31Å; P29-V32 WeakPolarHBondContact O-CB 3.32Å; P29-V32 WeakPolarHBondContact O-CG2 3.37Å; P29-V32 PolarHBondContact O-N 2.85Å; L30-V32 VanDerWaalsContact C-N 3.32Å |
| 33 | P | 60.8 | Low | 58.4 | Low | 103 Ų | 103 | 142.5 Ų | 142.5 | 67% | 0.669 | 75% | 0.753 | S | S | * | * | | | trans | -59.7 | 137.3 | 175.3 | 23.3 | -30.5 | 0 | 0 | 0 | 108.9 | W31 S35 | W31-P33 VanDerWaalsContact O-CD 3.31Å; W31-P33 WeakPolarHBondContact O-CD 3.15Å; P33-S35 PolarHBondContact O-N 2.8Å |
| 34 | P | 66.6 | Low | 58.1 | Low | 124 Ų | 124 | 144.9 Ų | 144.9 | 81% | 0.805 | 76% | 0.76 | S | S | * | * | | | trans | -56 | 128.1 | -179.1 | 22.6 | -32.4 | 0 | 0 | 0 | 108.8 | G36 | P34-G36 PolarHBondContact O-N 2.88Š|
| 35 | S | 61.4 | Low | 58.3 | Low | 132 Ų | 132 | 139.7 Ų | 139.7 | 92% | 0.923 | 76% | 0.759 | S | S | * | * | | | trans | -67.5 | 79.5 | 176 | -172.5 | 0 | 0 | 0 | 0 | 109.2 | P33 A37 | P33-S35 PolarHBondContact O-N 2.8Å; S35-A37 PolarHBondContact O-N 2.86Å |
| 36 | G | 51.9 | Low | 57.7 | Low | 68 Ų | 68 | 142.2 Ų | 142.2 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | | | trans | -87.8 | 100.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | P34 | P34-G36 PolarHBondContact O-N 2.88Š|
| 37 | A | 46.2 | Very low | 57.2 | Low | 61 Ų | 61 | 137.3 Ų | 137.3 | 50% | 0.504 | 76% | 0.76 | S | S | . | * | | | trans | 7.6 | 112.9 | 159.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | S35 R39 | S35-A37 PolarHBondContact O-N 2.86Å; A37-R39 WeakPolarHBondContact O-CG 3.44Å; A37-R39 PolarHBondContact O-N 3.15Å |
| 38 | A | 54.2 | Low | 56.6 | Low | 111 Ų | 111 | 133.5 Ų | 133.5 | 92% | 0.917 | 76% | 0.762 | S | S | * | * | | | trans | -48 | 113.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 39 | R | 55.7 | Low | 55.2 | Low | 215 Ų | 215 | 137.2 Ų | 137.2 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | | | trans | -125.1 | 108.8 | 166.7 | -48.2 | -168.3 | -162 | -133.4 | 4.4 | 107.5 | A37 R41 | A37-R39 WeakPolarHBondContact O-CG 3.44Å; A37-R39 PolarHBondContact O-N 3.15Å; R39-R41 VanDerWaalsContact C-N 3.28Å; R39-R41 PolarHBondContact O-N 3.25Å |
| 40 | S | 54.5 | Low | 54 | Low | 127 Ų | 127 | 142.6 Ų | 142.6 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | | | trans | -67.4 | 86.2 | 169.2 | 48.3 | 0 | 0 | 0 | 0 | 109.1 | K42 | S40-K42 PolarHBondContact O-N 3.04Š|
| 41 | R | 53.3 | Low | 53.4 | Low | 241 Ų | 241 | 138.7 Ų | 138.7 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | | | trans | -82 | 92.4 | 172.6 | -140.4 | 176.3 | -168 | -139.3 | 2.6 | 109.2 | R39 | R39-R41 VanDerWaalsContact C-N 3.28Å; R39-R41 PolarHBondContact O-N 3.25Å |
| 42 | K | 60.8 | Low | 53.4 | Low | 197 Ų | 197 | 137 Ų | 137 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | | | trans | -40.1 | 137.6 | 166.6 | -166.8 | 174.6 | -177.8 | -174.5 | 0 | 111.4 | S40 | S40-K42 PolarHBondContact O-N 3.04Š|
| 43 | R | 57.9 | Low | 52.6 | Low | 244 Ų | 244 | 140 Ų | 140 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | | | trans | -38.5 | 133.3 | 179.2 | -68 | 177.1 | 173.9 | -130.1 | -1.2 | 113.7 | | |
| 44 | Q | 46.1 | Very low | 52.3 | Low | 191 Ų | 191 | 139.1 Ų | 139.1 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | | | trans | -134.4 | 105.5 | 149.3 | -158.3 | 169.6 | 11.3 | 0 | 0 | 105.8 | | |
| 45 | G | 51.5 | Low | 51.3 | Low | 75 Ų | 75 | 139 Ų | 139 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | | | trans | -71.5 | 136.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 46 | D | 41.1 | Very low | 51 | Low | 164 Ų | 164 | 136.5 Ų | 136.5 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | | | trans | -147.3 | 151.7 | 153.3 | -147 | -9 | 0 | 0 | 0 | 110.3 | | |
| 47 | A | 50.4 | Low | 51 | Low | 99 Ų | 99 | 139.4 Ų | 139.4 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -61.2 | 141.3 | -154.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 48 | G | 47.7 | Very low | 51.3 | Low | 75 Ų | 75 | 148.3 Ų | 148.3 | 77% | 0.773 | 83% | 0.826 | S | S | * | * | | | trans | 167.5 | 32.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | M50 | G48-M50 PolarHBondContact O-N 3.29Š|
| 49 | I | 43.8 | Very low | 51.2 | Low | 160 Ų | 160 | 152.8 Ų | 152.8 | 82% | 0.821 | 83% | 0.825 | S | S | * | * | | | trans | -73.9 | 110.7 | 169.5 | -72.1 | 171.7 | 0 | 0 | 0 | 106.9 | A51 | I49-A51 VanDerWaalsContact C-N 3.34Å; I49-A51 PolarHBondContact O-N 3.32Å |
| 50 | M | 44.9 | Very low | 51.2 | Low | 181 Ų | 181 | 154.2 Ų | 154.2 | 89% | 0.892 | 83% | 0.83 | S | S | * | * | | | trans | -61.9 | 102.5 | 155.9 | -68.6 | -67.3 | -79.1 | 0 | 0 | 106.1 | G48 E52 | G48-M50 PolarHBondContact O-N 3.29Å; M50-E52 PolarHBondContact O-N 3.18Å |
| 51 | A | 50.5 | Low | 51.1 | Low | 88 Ų | 88 | 159.6 Ų | 159.6 | 73% | 0.727 | 83% | 0.831 | S | S | * | * | | | trans | -64.6 | 107.3 | 179 | 0 | 0 | 0 | 0 | 0 | 109.2 | I49 | I49-A51 VanDerWaalsContact C-N 3.34Å; I49-A51 PolarHBondContact O-N 3.32Å |
| 52 | E | 57 | Low | 50.6 | Low | 166 Ų | 166 | 151.8 Ų | 151.8 | 78% | 0.776 | 83% | 0.825 | S | S | * | * | | | trans | -63.8 | 129.3 | 160.5 | -171.5 | -152.4 | 156 | 0 | 0 | 108.3 | M50 A54 | M50-E52 PolarHBondContact O-N 3.18Å; E52-A54 PolarHBondContact O-N 2.79Å; E52-A54 VanDerWaalsContact O-N 3.14Å |
| 53 | P | 47.8 | Very low | 49.8 | Very low | 117 Ų | 117 | 148.2 Ų | 148.2 | 76% | 0.76 | 82% | 0.824 | S | S | * | * | | | trans | -72.2 | 109.9 | 178.3 | 28 | -32.2 | 0 | 0 | 0 | 110.5 | | |
| 54 | A | 54.8 | Low | 49.4 | Very low | 86 Ų | 86 | 140.2 Ų | 140.2 | 71% | 0.711 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 139.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E52 A56 | E52-A54 PolarHBondContact O-N 2.79Å; E52-A54 VanDerWaalsContact O-N 3.14Å; A54-A56 PolarHBondContact O-N 2.91Å |
| 55 | P | 46.8 | Very low | 49.4 | Very low | 122 Ų | 122 | 138.8 Ų | 138.8 | 79% | 0.792 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 118.8 | 167.7 | 27.8 | -31.1 | 0 | 0 | 0 | 110.4 | | |
| 56 | A | 54.9 | Low | 48.9 | Very low | 79 Ų | 79 | 138.7 Ų | 138.7 | 65% | 0.653 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 144 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | A54 R58 | A54-A56 PolarHBondContact O-N 2.91Å; A56-R58 PolarHBondContact O-N 3.32Å |
| 57 | P | 51.2 | Low | 48.8 | Very low | 129 Ų | 129 | 134.8 Ų | 134.8 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | | | trans | -71.7 | 111.1 | 174.2 | 28.6 | -32.6 | 0 | 0 | 0 | 110.4 | K59 | P57-K59 PolarHBondContact O-N 3.45Š|
| 58 | R | 53.2 | Low | 48.5 | Very low | 248 Ų | 248 | 138.3 Ų | 138.3 | 94% | 0.936 | 81% | 0.812 | S | S | * | * | | | trans | -76.8 | 109 | 178 | -60.8 | -175.7 | 178.5 | -116.9 | -1.3 | 109.5 | A56 | A56-R58 PolarHBondContact O-N 3.32Š|
| 59 | K | 52 | Low | 48.4 | Very low | 205 Ų | 205 | 144.3 Ų | 144.3 | 89% | 0.891 | 82% | 0.82 | S | S | * | * | | | trans | -62.9 | 136.8 | 177.7 | -129.3 | -175.5 | -175.5 | -173.2 | 0 | 111 | P57 R61 | P57-K59 PolarHBondContact O-N 3.45Å; K59-R61 PolarHBondContact O-N 3.39Å |
| 60 | R | 55.3 | Low | 48.6 | Very low | 244 Ų | 244 | 146.8 Ų | 146.8 | 92% | 0.921 | 82% | 0.819 | S | S | * | * | | | trans | -45.2 | 128.9 | 172.1 | -62.1 | 165.3 | 65.6 | -154 | 1.3 | 111.6 | | |
| 61 | R | 52.3 | Low | 48.2 | Very low | 241 Ų | 241 | 147.7 Ų | 147.7 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | | | trans | -107.6 | 107.5 | 153.4 | -131.6 | -171.2 | -58.6 | -91.6 | 2.5 | 106.4 | K59 | K59-R61 PolarHBondContact O-N 3.39Š|
| 62 | G | 43.1 | Very low | 47.7 | Very low | 76 Ų | 76 | 146.8 Ų | 146.8 | 78% | 0.784 | 82% | 0.82 | S | S | * | * | | | trans | -77 | 130.8 | 159.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 63 | C | 43.9 | Very low | 46.9 | Very low | 123 Ų | 123 | 147.6 Ų | 147.6 | 83% | 0.831 | 83% | 0.829 | S | S | * | * | | | trans | -162.4 | 107.4 | 156 | -164.9 | 0 | 0 | 0 | 0 | 105.8 | | |
| 64 | G | 48.5 | Very low | 46.3 | Very low | 75 Ų | 75 | 145.3 Ų | 145.3 | 77% | 0.773 | 83% | 0.826 | S | S | * | * | | | trans | -85 | 140.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 65 | D | 46 | Very low | 45.9 | Very low | 162 Ų | 162 | 149.7 Ų | 149.7 | 87% | 0.866 | 84% | 0.837 | S | S | * | * | | | trans | -174.5 | 114.5 | 151.2 | -154.3 | 8.4 | 0 | 0 | 0 | 103.8 | | |
| 66 | G | 41.7 | Very low | 45.6 | Very low | 73 Ų | 73 | 152.1 Ų | 152.1 | 75% | 0.753 | 84% | 0.837 | S | S | * | * | | | | 80.9 | 106.9 | 72.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 67 | G | 39.4 | Very low | 44.8 | Very low | 81 Ų | 81 | 153.8 Ų | 153.8 | 84% | 0.835 | 84% | 0.842 | S | S | * | * | | | trans | 151.3 | 97 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 68 | Q | 44.3 | Very low | 44.2 | Very low | 173 Ų | 173 | 151.7 Ų | 151.7 | 81% | 0.808 | 84% | 0.843 | S | S | * | * | | | trans | -68.5 | 137.7 | 168.9 | -55.5 | 161.9 | -4.9 | 0 | 0 | 109.2 | | |
| 69 | E | 45.9 | Very low | 43.5 | Very low | 201 Ų | 201 | 148 Ų | 148 | 94% | 0.939 | 84% | 0.837 | S | S | * | * | | | trans | -141.1 | 136.8 | 140.3 | -71.6 | -159.8 | 150.3 | 0 | 0 | 109.1 | | |
| 70 | R | 47.5 | Very low | 43.8 | Very low | 213 Ų | 213 | 143.6 Ų | 143.6 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | | | trans | -99.7 | 174.3 | -170.7 | -64.8 | 174.8 | 160.4 | -178.8 | -5.9 | 109.2 | | |
| 71 | E | 36.8 | Very low | 43.9 | Very low | 199 Ų | 199 | 137.6 Ų | 137.6 | 93% | 0.93 | 82% | 0.822 | S | S | * | * | | | trans | 94.3 | 118.9 | 154.4 | -68 | 171.1 | 125.7 | 0 | 0 | 118.2 | | |
| 72 | G | 40.3 | Very low | 43.4 | Very low | 69 Ų | 69 | 131.9 Ų | 131.9 | 71% | 0.711 | 82% | 0.816 | S | S | * | * | | | trans | 157 | 66.8 | 162.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 73 | L | 39.4 | Very low | 43 | Very low | 184 Ų | 184 | 131.8 Ų | 131.8 | 96% | 0.963 | 82% | 0.815 | S | S | * | * | | | trans | 21.9 | 123.6 | 141.5 | -50.2 | 166.5 | 0 | 0 | 0 | 116.4 | | |
| 74 | G | 34.3 | Very low | 43 | Very low | 68 Ų | 68 | 134.4 Ų | 134.4 | 70% | 0.701 | 82% | 0.815 | S | S | * | * | | | cis | 153.3 | 160.2 | 23.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 75 | L | 47.1 | Very low | 42.4 | Very low | 178 Ų | 178 | 140 Ų | 140 | 93% | 0.932 | 82% | 0.821 | S | S | * | * | | | trans | 99.4 | 77.7 | 177.1 | -49.8 | -177.2 | 0 | 0 | 0 | 116.6 | | |
| 76 | E | 40.7 | Very low | 42.2 | Very low | 173 Ų | 173 | 140.8 Ų | 140.8 | 81% | 0.808 | 82% | 0.819 | S | S | * | * | | | trans | -0.7 | 123.9 | 148.3 | -70.1 | -80.5 | 120.3 | 0 | 0 | 119.8 | | |
| 77 | P | 38.3 | Very low | 42.1 | Very low | 115 Ų | 115 | 143.9 Ų | 143.9 | 75% | 0.747 | 81% | 0.814 | S | S | * | * | | | trans | -80.2 | 122.5 | 145.8 | -4.8 | 23.7 | 0 | 0 | 0 | 110 | E79 | P77-E79 PolarHBondContact O-N 3.3Š|
| 78 | G | 37.8 | Very low | 42.2 | Very low | 84 Ų | 84 | 146.2 Ų | 146.2 | 87% | 0.866 | 81% | 0.812 | S | S | * | * | | | trans | -69.4 | 114.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 79 | E | 40 | Very low | 42.1 | Very low | 171 Ų | 171 | 147.8 Ų | 147.8 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | | | trans | -120.6 | 135.4 | 172.8 | -174.1 | 170.1 | 161 | 0 | 0 | 110 | P77 | P77-E79 PolarHBondContact O-N 3.3Š|
| 80 | P | 57.3 | Low | 41.6 | Very low | 112 Ų | 112 | 144.8 Ų | 144.8 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 154.8 | 169.4 | 34.1 | -30.9 | 0 | 0 | 0 | 112.2 | | |
| 81 | P | 56.5 | Low | 41 | Very low | 119 Ų | 119 | 138.5 Ų | 138.5 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 153.9 | -154.7 | 32.1 | -36.6 | 0 | 0 | 0 | 115.2 | | |
| 82 | P | 43 | Very low | 41.1 | Very low | 120 Ų | 120 | 140.5 Ų | 140.5 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -80 | 120.2 | 165.7 | 31.4 | -29 | 0 | 0 | 0 | 110.2 | E84 | P82-E84 PolarHBondContact O-N 3.26Š|
| 83 | G | 35.1 | Very low | 41.1 | Very low | 74 Ų | 74 | 141.6 Ų | 141.6 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | | | trans | -72.5 | 111.5 | 169 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 84 | E | 43 | Very low | 41.5 | Very low | 178 Ų | 178 | 139.1 Ų | 139.1 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | | | trans | -26.4 | 134.1 | 145.8 | 60.5 | -157.3 | 164.2 | 0 | 0 | 113.1 | P82 | P82-E84 PolarHBondContact O-N 3.26Š|
| 85 | Q | 36 | Very low | 41.5 | Very low | 194 Ų | 194 | 139.5 Ų | 139.5 | 91% | 0.907 | 81% | 0.807 | S | S | * | * | | | | -164 | 111 | 114.6 | -57.9 | -154 | 6.9 | 0 | 0 | 109.5 | | |
| 86 | E | 41.3 | Very low | 40.9 | Very low | 177 Ų | 177 | 134.9 Ų | 134.9 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | | | trans | -58.9 | 137.4 | 159.1 | 176.2 | -179.6 | 136 | 0 | 0 | 110.4 | | |
| 87 | E | 40.2 | Very low | 41 | Very low | 139 Ų | 139 | 130.1 Ų | 130.1 | 65% | 0.65 | 80% | 0.8 | S | S | * | * | | | trans | -165.5 | 98.4 | 135 | -106.8 | -175.5 | 151.1 | 0 | 0 | 112 | R89 | E87-R89 IonicContact OE1-CZ 3.15Å; E87-R89 IonicContact OE1-NE 2.89Å; E87-R89 PolarHBondContact OE1-NE 3.25Å; E87-R89 IonicContact OE1-NH2 2.64Å; E87-R89 PolarHBondContact OE1-NH2 3.13Å; E87-R89 IonicContact OE2-NE 3.88Å |
| 88 | T | 40.7 | Very low | 41.5 | Very low | 129 Ų | 129 | 132.7 Ų | 132.7 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | | | trans | -76.3 | 114.4 | 158 | -16.2 | 0 | 0 | 0 | 0 | 107.2 | | |
| 89 | R | 43.7 | Very low | 42.1 | Very low | 206 Ų | 206 | 133.7 Ų | 133.7 | 78% | 0.777 | 81% | 0.808 | S | S | * | * | | | trans | -123.8 | 99.5 | 164.1 | -67.1 | -166.5 | -176.9 | -158 | 5 | 110.4 | E87 | E87-R89 IonicContact OE1-CZ 3.15Å; E87-R89 IonicContact OE1-NE 2.89Å; E87-R89 PolarHBondContact OE1-NE 3.25Å; E87-R89 IonicContact OE1-NH2 2.64Å; E87-R89 PolarHBondContact OE1-NH2 3.13Å; E87-R89 IonicContact OE2-NE 3.88Å |
| 90 | V | 34.4 | Very low | 42.6 | Very low | 139 Ų | 139 | 132.2 Ų | 132.2 | 84% | 0.842 | 81% | 0.81 | S | S | * | * | | | trans | -59.2 | 128.6 | 161.4 | 175.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 91 | G | 35.8 | Very low | 42 | Very low | 80 Ų | 80 | 130.4 Ų | 130.4 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | | | trans | -145.3 | 101.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 92 | R | 37.8 | Very low | 41.4 | Very low | 242 Ų | 242 | 130.5 Ų | 130.5 | 91% | 0.913 | 82% | 0.815 | S | S | * | * | | | trans | -104.3 | 130.4 | 173.1 | 173.6 | 179.3 | -174.9 | -168.6 | 2 | 108.6 | | |
| 93 | A | 40.9 | Very low | 41.1 | Very low | 92 Ų | 92 | 128.9 Ų | 128.9 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | | | trans | -177.6 | 157.7 | 133.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 94 | P | 47.6 | Very low | 41.5 | Very low | 131 Ų | 131 | 133.3 Ų | 133.3 | 85% | 0.851 | 82% | 0.818 | S | S | * | * | | | trans | -101.4 | 157.9 | -154.8 | 39.4 | -32.4 | 0 | 0 | 0 | 114.1 | | |
| 95 | G | 33.8 | Very low | 41.5 | Very low | 76 Ų | 76 | 130 Ų | 130 | 78% | 0.784 | 82% | 0.815 | S | S | * | * | | | trans | -162.1 | 118.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 96 | G | 35.1 | Very low | 42.5 | Very low | 82 Ų | 82 | 127 Ų | 127 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | | | | 103.9 | 100.1 | 66.8 | 0 | 0 | 0 | 0 | 0 | 105 | | |
| 97 | G | 42.7 | Very low | 42.9 | Very low | 72 Ų | 72 | 130.3 Ų | 130.3 | 74% | 0.742 | 82% | 0.817 | S | S | * | * | | | trans | -72.2 | 170.1 | -159.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 98 | D | 48.5 | Very low | 42.8 | Very low | 169 Ų | 169 | 126.7 Ų | 126.7 | 90% | 0.904 | 82% | 0.817 | S | S | * | * | | | trans | -151.2 | 122.1 | 137.5 | -103.4 | -28.4 | 0 | 0 | 0 | 109.2 | | |
| 99 | A | 50.6 | Low | 43.1 | Very low | 106 Ų | 106 | 125.5 Ų | 125.5 | 88% | 0.876 | 82% | 0.82 | S | S | * | * | | | trans | -77.7 | 116.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 100 | V | 51 | Low | 43.5 | Very low | 140 Ų | 140 | 123.3 Ų | 123.3 | 85% | 0.848 | 82% | 0.824 | S | S | * | * | | | trans | -120.7 | 108.1 | 158.5 | 66.9 | 0 | 0 | 0 | 0 | 107.2 | | |
| 101 | G | 44.8 | Very low | 44.4 | Very low | 73 Ų | 73 | 120.2 Ų | 120.2 | 75% | 0.753 | 82% | 0.82 | S | S | * | * | | | trans | -70.7 | 152.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 102 | S | 44.3 | Very low | 45.5 | Very low | 121 Ų | 121 | 120 Ų | 120 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | | | | -179.8 | 133.3 | 126.9 | -162.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 103 | A | 35.9 | Very low | 46.5 | Very low | 87 Ų | 87 | 113.2 Ų | 113.2 | 72% | 0.719 | 80% | 0.798 | S | S | * | * | | | trans | 66.9 | 113.1 | 156.2 | 0 | 0 | 0 | 0 | 0 | 119 | S105 | A103-S105 PolarHBondContact O-N 2.72Š|
| 104 | D | 43.8 | Very low | 47.4 | Very low | 167 Ų | 167 | 116.6 Ų | 116.6 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | | | trans | -40.8 | 127.9 | 148 | -73.7 | -54.1 | 0 | 0 | 0 | 111.5 | | |
| 105 | S | 42.6 | Very low | 48.2 | Very low | 109 Ų | 109 | 117.5 Ų | 117.5 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | | | trans | -143.4 | 114.6 | 156.9 | -126 | 0 | 0 | 0 | 0 | 109.3 | A103 R107 | A103-S105 PolarHBondContact O-N 2.72Å; S105-R107 PolarHBondContact O-N 3.17Å; S105-R107 VanDerWaalsContact O-N 3.15Å |
| 106 | P | 56.9 | Low | 49.4 | Very low | 131 Ų | 131 | 117.2 Ų | 117.2 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | | | trans | -86.1 | 88.1 | -179.2 | 33.6 | -28.8 | 0 | 0 | 0 | 107.8 | | |
| 107 | R | 50.7 | Low | 50.6 | Low | 246 Ų | 246 | 115.9 Ų | 115.9 | 93% | 0.928 | 76% | 0.757 | S | S | * | * | | | trans | -155.8 | 96.3 | 172 | -147.9 | 163.8 | -173.4 | -98.2 | 0.4 | 113.4 | S105 | S105-R107 PolarHBondContact O-N 3.17Å; S105-R107 VanDerWaalsContact O-N 3.15Å |
| 108 | G | 36.6 | Very low | 51.4 | Low | 63 Ų | 63 | 120.3 Ų | 120.3 | 65% | 0.649 | 76% | 0.758 | S | S | * | * | | | trans | 179.2 | 65.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | D110 | G108-D110 PolarHBondContact O-N 3.35Š|
| 109 | A | 47.9 | Very low | 52.2 | Low | 103 Ų | 103 | 118 Ų | 118 | 85% | 0.851 | 74% | 0.742 | S | S | * | * | | | trans | -57.5 | 99.2 | 157.5 | 0 | 0 | 0 | 0 | 0 | 105.2 | G111 | A109-G111 VanDerWaalsContact C-N 3.32Å; A109-G111 PolarHBondContact O-N 3.34Å |
| 110 | D | 51.4 | Low | 52.8 | Low | 160 Ų | 160 | 120.3 Ų | 120.3 | 86% | 0.856 | 73% | 0.732 | S | S | * | * | | | trans | -54 | 106.6 | 168.5 | -87.5 | -29.1 | 0 | 0 | 0 | 105.7 | G108 A112 | G108-D110 PolarHBondContact O-N 3.35Å; D110-A112 PolarHBondContact O-N 2.94Å |
| 111 | G | 53.8 | Low | 53.4 | Low | 74 Ų | 74 | 120.5 Ų | 120.5 | 76% | 0.763 | 72% | 0.718 | S | S | * | * | | | trans | -63.1 | 91.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | A109 | A109-G111 VanDerWaalsContact C-N 3.32Å; A109-G111 PolarHBondContact O-N 3.34Å |
| 112 | A | 60.1 | Low | 54.3 | Low | 75 Ų | 75 | 123.9 Ų | 123.9 | 62% | 0.62 | 71% | 0.714 | S | S | * | * | | | trans | -48 | 134.4 | 161 | 0 | 0 | 0 | 0 | 0 | 106.8 | D110 I114 | D110-A112 PolarHBondContact O-N 2.94Å; A112-I114 PolarHBondContact O-N 3.19Å |
| 113 | P | 57.5 | Low | 55.2 | Low | 101 Ų | 101 | 127.2 Ų | 127.2 | 66% | 0.656 | 71% | 0.709 | S | S | * | * | | | trans | -54.7 | 116.4 | 172.8 | 23.7 | -31.4 | 0 | 0 | 0 | 106 | Q115 | P113-Q115 PolarHBondContact O-N 3.06Š|
| 114 | I | 60.9 | Low | 56.9 | Low | 163 Ų | 163 | 125.4 Ų | 125.4 | 84% | 0.836 | 69% | 0.688 | S | S | * | * | | | trans | -61.8 | 90.7 | 167.7 | -62.7 | 168.8 | 0 | 0 | 0 | 103.4 | A112 P116 | A112-I114 PolarHBondContact O-N 3.19Å; I114-P116 VanDerWaalsContact O-CD 3.32Å; I114-P116 WeakPolarHBondContact O-CD 3.49Å; I114-P116 VanDerWaalsContact O-N 3.1Å |
| 115 | Q | 63.8 | Low | 58 | Low | 149 Ų | 149 | 122 Ų | 122 | 70% | 0.696 | 67% | 0.673 | S | S | * | * | | | trans | -56.8 | 116.8 | 164.4 | -66.9 | -66.4 | -6.2 | 0 | 0 | 103.4 | P113 S117 | P113-Q115 PolarHBondContact O-N 3.06Å; Q115-S117 PolarHBondContact O-N 3.12Å |
| 116 | P | 58.9 | Low | 59.2 | Low | 70 Ų | 70 | 123.6 Ų | 123.6 | 46% | 0.455 | 67% | 0.666 | S | S | . | * | | | trans | -57.2 | 111.7 | 176.8 | 24 | -31.2 | 0 | 0 | 0 | 105.4 | I114 F120 | I114-P116 VanDerWaalsContact O-CD 3.32Å; I114-P116 WeakPolarHBondContact O-CD 3.49Å; I114-P116 VanDerWaalsContact O-N 3.1Å; P116-F120 HydrophobicContact CB-CB 4.46Å |
| 117 | S | 59.5 | Low | 59.6 | Low | 55 Ų | 55 | 119.9 Ų | 119.9 | 39% | 0.385 | 64% | 0.638 | S | S | . | * | | | trans | -57 | 146.7 | 178.9 | 53.9 | 0 | 0 | 0 | 0 | 107.8 | Q115 E119 F120 | Q115-S117 PolarHBondContact O-N 3.12Å; S117-E119 PolarHBondContact O-N 2.96Å; S117-E119 PolarHBondContact OG-OE2 3.13Å; S117-F120 WeakPolarHBondContact O-CB 3.09Å; S117-F120 PolarHBondContact O-N 3.49Å |
| 118 | E | 60.6 | Low | 60.4 | Low | 164 Ų | 164 | 117.1 Ų | 117.1 | 77% | 0.766 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -45.7 | -28.3 | 171.1 | -103.7 | 77.4 | -165.4 | 0 | 0 | 112.3 | F120 W121 Q122 | E118-F120 VanDerWaalsContact C-N 3.28Å; E118-F120 PolarHBondContact O-N 2.55Å; E118-W121 PolarHBondContact O-N 2.78Å; E118-Q122 PolarHBondContact O-N 2.95Å |
| 119 | E | 65.2 | Low | 61.9 | Low | 121 Ų | 121 | 123.2 Ų | 123.2 | 57% | 0.565 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -61 | -27.6 | 174.5 | -65.8 | 155.2 | 153.4 | 0 | 0 | 114 | S117 Q122 Y123 | S117-E119 PolarHBondContact O-N 2.96Å; S117-E119 PolarHBondContact OG-OE2 3.13Å; E119-Q122 PolarHBondContact O-N 2.73Å; E119-Y123 WeakPolarHBondContact O-CD2 3.18Å |
| 120 | F | 63.2 | Low | 63.2 | Low | 154 Ų | 154 | 127 Ų | 127 | 68% | 0.675 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -72.3 | -32 | 178.9 | -157.4 | -92.6 | 0 | 0 | 0 | 112.4 | P116 S117 E118 | P116-F120 HydrophobicContact CB-CB 4.46Å; S117-F120 WeakPolarHBondContact O-CB 3.09Å; S117-F120 PolarHBondContact O-N 3.49Å; E118-F120 VanDerWaalsContact C-N 3.28Å; E118-F120 PolarHBondContact O-N 2.55Å |
| 121 | W | 64.1 | Low | 64.5 | Low | 145 Ų | 145 | 124.7 Ų | 124.7 | 55% | 0.549 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -80.2 | -25.3 | 172.2 | -64.6 | 106.4 | 0 | 0 | 0 | 111.9 | E118 Y123 N124 | E118-W121 PolarHBondContact O-N 2.78Å; W121-Y123 VanDerWaalsContact C-N 3.25Å; W121-Y123 PolarHBondContact O-N 3.26Å; W121-N124 PolarHBondContact O-N 2.84Å |
| 122 | Q | 63.5 | Low | 65.8 | Low | 144 Ų | 144 | 126.1 Ų | 126.1 | 67% | 0.673 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -68.7 | -20.1 | -174.8 | -158.1 | 157 | 26.3 | 0 | 0 | 114.2 | E118 E119 | E118-Q122 PolarHBondContact O-N 2.95Å; E119-Q122 PolarHBondContact O-N 2.73Å |
| 123 | Y | 62.8 | Low | 66.9 | Low | 191 Ų | 191 | 129.6 Ų | 129.6 | 75% | 0.749 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.5 | 4.3 | 177.5 | -60.4 | -66.2 | 0 | 0 | 0 | 114.5 | E119 W121 T125 | E119-Y123 WeakPolarHBondContact O-CD2 3.18Å; W121-Y123 VanDerWaalsContact C-N 3.25Å; W121-Y123 PolarHBondContact O-N 3.26Å; Y123-T125 PolarHBondContact O-N 3.08Å; Y123-T125 VanDerWaalsContact O-N 3.13Å |
| 124 | N | 72 | Confident | 68.1 | Low | 49 Ų | 49 | 129.4 Ų | 129.4 | 26% | 0.262 | 61% | 0.614 | S | S | . | * | | | trans | -90.3 | 90.2 | -174.5 | -178.5 | -1.9 | 0 | 0 | 0 | 109.9 | W121 F126 Q127 | W121-N124 PolarHBondContact O-N 2.84Å; N124-F126 CarbonylContact O-C 3.41Å; N124-F126 PolarHBondContact O-N 3.49Å; N124-F126 VanDerWaalsContact O-N 3.13Å; N124-F126 VanDerWaalsContact OD1-C 3.26Å; N124-F126 WeakPolarHBondContact OD1-CA 3.31Å; N124-F126 WeakPolarHBondContact OD1-CB 3.31Å; N124-F126 PolarHBondContact OD1-N 3.32Å; N124-F126 PolarHBondContact OD1-O 2.96Å; N124-Q127 PolarHBondContact ND2-NE2 3.5Å; N124-Q127 PolarHBondContact ND2-OE1 2.95Å; N124-Q127 WeakPolarHBondContact O-CB 3.37Å; N124-Q127 PolarHBondContact O-N 3.32Å; N124-Q127 PolarHBondContact O-OE1 3.47Å |
| 125 | T | 66.9 | Low | 69.4 | Low | 95 Ų | 95 | 128 Ų | 128 | 58% | 0.583 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -60.6 | -16 | 172.1 | 55.5 | 0 | 0 | 0 | 0 | 112.4 | Y123 Q127 Y128 | Y123-T125 PolarHBondContact O-N 3.08Å; Y123-T125 VanDerWaalsContact O-N 3.13Å; T125-Q127 PolarHBondContact O-N 3.31Å; T125-Q127 VanDerWaalsContact O-N 3.12Å; T125-Y128 WeakPolarHBondContact O-CD2 3.14Å |
| 126 | F | 66.7 | Low | 70.4 | Confident | 142 Ų | 142 | 126.6 Ų | 126.6 | 62% | 0.623 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | 40.4 | 163.5 | -47.8 | -86.5 | 0 | 0 | 0 | 110.8 | N124 W129 | N124-F126 CarbonylContact O-C 3.41Å; N124-F126 PolarHBondContact O-N 3.49Å; N124-F126 VanDerWaalsContact O-N 3.13Å; N124-F126 VanDerWaalsContact OD1-C 3.26Å; N124-F126 WeakPolarHBondContact OD1-CA 3.31Å; N124-F126 WeakPolarHBondContact OD1-CB 3.31Å; N124-F126 PolarHBondContact OD1-N 3.32Å; N124-F126 PolarHBondContact OD1-O 2.96Å; F126-W129 VanDerWaalsContact CA-CD1 3.4Å; F126-W129 PolarHBondContact O-NE1 3.16Å |
| 127 | Q | 66.2 | Low | 71.9 | Confident | 53 Ų | 53 | 128.1 Ų | 128.1 | 25% | 0.248 | 62% | 0.616 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -105 | -22.8 | 159.3 | -104.1 | 72.1 | 85.4 | 0 | 0 | 112.2 | N124 T125 W129 R130 N131 | N124-Q127 PolarHBondContact ND2-NE2 3.5Å; N124-Q127 PolarHBondContact ND2-OE1 2.95Å; N124-Q127 WeakPolarHBondContact O-CB 3.37Å; N124-Q127 PolarHBondContact O-N 3.32Å; N124-Q127 PolarHBondContact O-OE1 3.47Å; T125-Q127 PolarHBondContact O-N 3.31Å; T125-Q127 VanDerWaalsContact O-N 3.12Å; Q127-W129 PolarHBondContact O-N 3.06Å; Q127-R130 PolarHBondContact O-N 3.31Å; Q127-N131 PolarHBondContact O-N 3.08Å |
| 128 | Y | 65.9 | Low | 73.2 | Confident | 188 Ų | 188 | 131.8 Ų | 131.8 | 74% | 0.737 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -24.3 | -179.6 | -59.3 | -67.2 | 0 | 0 | 0 | 113.4 | T125 | T125-Y128 WeakPolarHBondContact O-CD2 3.14Š|
| 129 | W | 69.7 | Low | 74.5 | Confident | 191 Ų | 191 | 126.6 Ų | 126.6 | 72% | 0.723 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -11.6 | 173.2 | 70.6 | -63.9 | 0 | 0 | 0 | 114.2 | F126 Q127 | F126-W129 VanDerWaalsContact CA-CD1 3.4Å; F126-W129 PolarHBondContact O-NE1 3.16Å; Q127-W129 PolarHBondContact O-N 3.06Å |
| 130 | R | 74.6 | Confident | 75.4 | Confident | 182 Ų | 182 | 122.9 Ų | 122.9 | 69% | 0.687 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -17.1 | 171.6 | -66.3 | -174.7 | 67 | 91.5 | -0.1 | 112.3 | Q127 | Q127-R130 PolarHBondContact O-N 3.31Š|
| 131 | N | 78.4 | Confident | 76.4 | Confident | 112 Ų | 112 | 119.3 Ų | 119.3 | 60% | 0.599 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -76.2 | 120.3 | 172.1 | -168.6 | 41.2 | 0 | 0 | 0 | 108.1 | Q127 L133 | Q127-N131 PolarHBondContact O-N 3.08Å; N131-L133 PolarHBondContact O-N 2.73Å |
| 132 | P | 81.6 | Confident | 77.4 | Confident | 104 Ų | 104 | 119.2 Ų | 119.2 | 68% | 0.675 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 137.2 | 176 | 25.1 | -33.6 | 0 | 0 | 0 | 109 | | |
| 133 | L | 82.2 | Confident | 78.5 | Confident | 149 Ų | 149 | 117.4 Ų | 117.4 | 78% | 0.78 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 143.9 | 174.2 | -65.5 | 176.6 | 0 | 0 | 0 | 109 | N131 | N131-L133 PolarHBondContact O-N 2.73Š|
| 134 | P | 84.5 | Confident | 79.4 | Confident | 97 Ų | 97 | 113 Ų | 113 | 63% | 0.63 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 147.4 | 172.8 | 24.7 | -32.8 | 0 | 0 | 0 | 109.7 | I136 | P134-I136 PolarHBondContact O-N 2.8Š|
| 135 | P | 86.2 | Confident | 79.7 | Confident | 132 Ų | 132 | 114.8 Ų | 114.8 | 86% | 0.857 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 130.1 | 173.1 | -20.7 | 31.4 | 0 | 0 | 0 | 109.5 | | |
| 136 | I | 86.3 | Confident | 80.3 | Confident | 120 Ų | 120 | 113.5 Ų | 113.5 | 62% | 0.615 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -82 | 126.4 | 178.9 | -56.1 | 170.7 | 0 | 0 | 0 | 107.6 | P134 L138 L141 | P134-I136 PolarHBondContact O-N 2.8Å; I136-L138 PolarHBondContact O-N 3.24Å; I136-L141 HydrophobicContact CG2-CD1 3.54Å; I136-L141 HydrophobicContact CG2-CG 4Å |
| 137 | D | 89.1 | Confident | 80.7 | Confident | 103 Ų | 103 | 112.5 Ų | 112.5 | 55% | 0.551 | 60% | 0.598 | S | S | * | * | | | trans | -74.5 | 112.5 | 174.4 | -176.7 | 7.2 | 0 | 0 | 0 | 109.9 | A139 A140 L141 | D137-A139 VanDerWaalsContact C-N 3.3Å; D137-A139 PolarHBondContact O-N 3.34Å; D137-A139 PolarHBondContact OD1-N 3.36Å; D137-A139 VanDerWaalsContact OD1-N 3.08Å; D137-A140 HydrophobicContact CB-CB 4.08Å; D137-A140 PolarHBondContact O-N 3.37Å; D137-L141 PolarHBondContact O-N 3.28Å |
| 138 | L | 88 | Confident | 80.7 | Confident | 131 Ų | 131 | 111.1 Ų | 111.1 | 69% | 0.686 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -70.6 | -27.7 | -178 | -59.5 | -178.4 | 0 | 0 | 0 | 112.2 | I136 L141 E142 | I136-L138 PolarHBondContact O-N 3.24Å; L138-L141 HydrophobicContact CD2-CD1 4.23Å; L138-L141 PolarHBondContact O-N 3.48Å; L138-E142 PolarHBondContact O-N 2.82Å |
| 139 | A | 87.2 | Confident | 80.6 | Confident | 55 Ų | 55 | 108.3 Ų | 108.3 | 46% | 0.455 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -69.2 | -42.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | D137 L141 E142 D143 | D137-A139 VanDerWaalsContact C-N 3.3Å; D137-A139 PolarHBondContact O-N 3.34Å; D137-A139 PolarHBondContact OD1-N 3.36Å; D137-A139 VanDerWaalsContact OD1-N 3.08Å; A139-L141 PolarHBondContact O-N 2.73Å; A139-E142 PolarHBondContact O-N 3.29Å; A139-E142 VanDerWaalsContact O-N 3.16Å; A139-D143 PolarHBondContact O-N 3.27Å |
| 140 | A | 83.9 | Confident | 80.2 | Confident | 43 Ų | 43 | 101.3 Ų | 101.3 | 36% | 0.355 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -61.5 | -33.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D137 L144 | D137-A140 HydrophobicContact CB-CB 4.08Å; D137-A140 PolarHBondContact O-N 3.37Å; A140-L144 WeakPolarHBondContact O-CB 3.34Å; A140-L144 WeakPolarHBondContact O-CD1 3.42Å; A140-L144 WeakPolarHBondContact O-CG 3.42Å; A140-L144 PolarHBondContact O-N 2.91Å |
| 141 | L | 84.2 | Confident | 79.4 | Confident | 79 Ų | 79 | 97.1 Ų | 97.1 | 41% | 0.414 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -72 | -38.4 | 174.1 | -71.5 | -179.3 | 0 | 0 | 0 | 112.7 | I136 D137 L138 A139 L144 C145 | I136-L141 HydrophobicContact CG2-CD1 3.54Å; I136-L141 HydrophobicContact CG2-CG 4Å; D137-L141 PolarHBondContact O-N 3.28Å; L138-L141 HydrophobicContact CD2-CD1 4.23Å; L138-L141 PolarHBondContact O-N 3.48Å; A139-L141 PolarHBondContact O-N 2.73Å; L141-L144 PolarHBondContact O-N 3.48Å; L141-C145 WeakPolarHBondContact O-CB 3.45Å; L141-C145 PolarHBondContact O-N 2.83Å; L141-C145 PolarHBondContact O-SG 2.8Å; L141-C145 VanDerWaalsContact O-SG 3.36Å |
| 142 | E | 86.4 | Confident | 78.3 | Confident | 144 Ų | 144 | 95 Ų | 95 | 67% | 0.673 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.7 | -42.1 | 176.6 | -171.6 | 168.4 | -161.5 | 0 | 0 | 111.1 | L138 A139 L144 C145 A146 | L138-E142 PolarHBondContact O-N 2.82Å; A139-E142 PolarHBondContact O-N 3.29Å; A139-E142 VanDerWaalsContact O-N 3.16Å; E142-L144 VanDerWaalsContact C-N 3.35Å; E142-L144 PolarHBondContact O-N 3.19Å; E142-C145 PolarHBondContact O-N 2.89Å; E142-A146 VanDerWaalsContact O-CB 3.3Å; E142-A146 WeakPolarHBondContact O-CB 3.3Å; E142-A146 PolarHBondContact O-N 3.34Å |
| 143 | D | 85.8 | Confident | 77.2 | Confident | 105 Ų | 105 | 96.8 Ų | 96.8 | 56% | 0.561 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.5 | -42.7 | 172.6 | -73.7 | -21.8 | 0 | 0 | 0 | 111.6 | A139 N147 | A139-D143 PolarHBondContact O-N 3.27Å; D143-N147 WeakPolarHBondContact O-CB 3.36Å; D143-N147 PolarHBondContact O-N 3.09Å; D143-N147 VanDerWaalsContact O-N 3.08Å; D143-N147 PolarHBondContact O-ND2 3.37Å |
| 144 | L | 81.9 | Confident | 75.8 | Confident | 100 Ų | 100 | 93.1 Ų | 93.1 | 52% | 0.524 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 174.3 | -82.5 | 162.1 | 0 | 0 | 0 | 111.4 | A140 L141 E142 N147 A148 | A140-L144 WeakPolarHBondContact O-CB 3.34Å; A140-L144 WeakPolarHBondContact O-CD1 3.42Å; A140-L144 WeakPolarHBondContact O-CG 3.42Å; A140-L144 PolarHBondContact O-N 2.91Å; L141-L144 PolarHBondContact O-N 3.48Å; E142-L144 VanDerWaalsContact C-N 3.35Å; E142-L144 PolarHBondContact O-N 3.19Å; L144-N147 CarbonylContact O-C 3.57Å; L144-N147 PolarHBondContact O-N 3.17Å; L144-A148 VanDerWaalsContact O-CA 3.32Å; L144-A148 WeakPolarHBondContact O-CA 3.07Å; L144-A148 WeakPolarHBondContact O-CB 3.32Å; L144-A148 PolarHBondContact O-N 2.86Å |
| 145 | C | 78.5 | Confident | 74.4 | Confident | 85 Ų | 85 | 94 Ų | 94 | 57% | 0.574 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.3 | -41.1 | 178.1 | -78.7 | 0 | 0 | 0 | 0 | 112.5 | L141 E142 N147 A148 | L141-C145 WeakPolarHBondContact O-CB 3.45Å; L141-C145 PolarHBondContact O-N 2.83Å; L141-C145 PolarHBondContact O-SG 2.8Å; L141-C145 VanDerWaalsContact O-SG 3.36Å; E142-C145 PolarHBondContact O-N 2.89Å; C145-N147 PolarHBondContact O-N 3.09Å; C145-A148 WeakPolarHBondContact O-CB 3.47Å; C145-A148 PolarHBondContact O-N 3.39Å; C145-A148 VanDerWaalsContact O-N 3.09Å |
| 146 | A | 79.9 | Confident | 73 | Confident | 69 Ų | 69 | 94.6 Ų | 94.6 | 57% | 0.57 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.3 | -28.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | E142 | E142-A146 VanDerWaalsContact O-CB 3.3Å; E142-A146 WeakPolarHBondContact O-CB 3.3Å; E142-A146 PolarHBondContact O-N 3.34Å |
| 147 | N | 74.8 | Confident | 71.5 | Confident | 121 Ų | 121 | 95.6 Ų | 95.6 | 65% | 0.647 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -95.6 | -6.5 | 173 | -66.2 | -67.3 | 0 | 0 | 0 | 112.9 | D143 L144 C145 D149 | D143-N147 WeakPolarHBondContact O-CB 3.36Å; D143-N147 PolarHBondContact O-N 3.09Å; D143-N147 VanDerWaalsContact O-N 3.08Å; D143-N147 PolarHBondContact O-ND2 3.37Å; L144-N147 CarbonylContact O-C 3.57Å; L144-N147 PolarHBondContact O-N 3.17Å; C145-N147 PolarHBondContact O-N 3.09Å; N147-D149 VanDerWaalsContact C-N 3.31Å; N147-D149 PolarHBondContact O-N 3.42Å |
| 148 | A | 65.4 | Low | 70 | Confident | 23 Ų | 23 | 98.4 Ų | 98.4 | 19% | 0.19 | 55% | 0.549 | C | S | . | . | H | α-helix | trans | -79.6 | -14.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L144 C145 G150 L151 T152 | L144-A148 VanDerWaalsContact O-CA 3.32Å; L144-A148 WeakPolarHBondContact O-CA 3.07Å; L144-A148 WeakPolarHBondContact O-CB 3.32Å; L144-A148 PolarHBondContact O-N 2.86Å; C145-A148 WeakPolarHBondContact O-CB 3.47Å; C145-A148 PolarHBondContact O-N 3.39Å; C145-A148 VanDerWaalsContact O-N 3.09Å; A148-G150 PolarHBondContact O-N 3.18Å; A148-G150 VanDerWaalsContact O-N 3.09Å; A148-L151 HydrophobicContact CB-CB 4.5Å; A148-L151 WeakPolarHBondContact O-CA 3.48Å; A148-L151 PolarHBondContact O-N 2.77Å; A148-T152 PolarHBondContact O-N 3.22Å; A148-T152 PolarHBondContact O-OG1 3.3Å |
| 149 | D | 64.1 | Low | 68.6 | Low | 130 Ų | 130 | 98.2 Ų | 98.2 | 70% | 0.695 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -53.8 | -29.4 | 173.1 | -69.2 | -23.5 | 0 | 0 | 0 | 111.5 | N147 T152 | N147-D149 VanDerWaalsContact C-N 3.31Å; N147-D149 PolarHBondContact O-N 3.42Å; D149-T152 PolarHBondContact O-OG1 3.11Å |
| 150 | G | 61.3 | Low | 67.3 | Low | 43 Ų | 43 | 103.4 Ų | 103.4 | 44% | 0.443 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -88.7 | -19.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | A148 | A148-G150 PolarHBondContact O-N 3.18Å; A148-G150 VanDerWaalsContact O-N 3.09Å |
| 151 | L | 58 | Low | 66.2 | Low | 94 Ų | 94 | 107.1 Ų | 107.1 | 49% | 0.492 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -83.4 | -35.8 | 178 | -77.9 | 166.2 | 0 | 0 | 0 | 112.2 | A148 E153 T154 L155 | A148-L151 HydrophobicContact CB-CB 4.5Å; A148-L151 WeakPolarHBondContact O-CA 3.48Å; A148-L151 PolarHBondContact O-N 2.77Å; L151-E153 PolarHBondContact O-N 2.96Å; L151-T154 PolarHBondContact O-N 3.37Å; L151-T154 PolarHBondContact O-OG1 3.21Å; L151-L155 PolarHBondContact O-N 3.39Å |
| 152 | T | 55.5 | Low | 65.5 | Low | 67 Ų | 67 | 108.1 Ų | 108.1 | 41% | 0.411 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.8 | -30.6 | 175.6 | 50.5 | 0 | 0 | 0 | 0 | 111.9 | A148 D149 L155 Q156 | A148-T152 PolarHBondContact O-N 3.22Å; A148-T152 PolarHBondContact O-OG1 3.3Å; D149-T152 PolarHBondContact O-OG1 3.11Å; T152-L155 PolarHBondContact O-N 3.36Å; T152-Q156 WeakPolarHBondContact O-CB 3.23Å; T152-Q156 VanDerWaalsContact O-CG 3.23Å; T152-Q156 WeakPolarHBondContact O-CG 3.36Å; T152-Q156 PolarHBondContact O-N 3.05Å |
| 153 | E | 57.7 | Low | 64.7 | Low | 143 Ų | 143 | 109.6 Ų | 109.6 | 67% | 0.668 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63.8 | -42.6 | 173.5 | -147.6 | -179 | -179.6 | 0 | 0 | 110.9 | L151 L155 Q156 D157 | L151-E153 PolarHBondContact O-N 2.96Å; E153-L155 VanDerWaalsContact C-N 3.32Å; E153-L155 PolarHBondContact O-N 3.28Å; E153-Q156 PolarHBondContact O-N 3.22Å; E153-D157 PolarHBondContact O-N 3.03Å |
| 154 | T | 54 | Low | 64.1 | Low | 71 Ų | 71 | 111.1 Ų | 111.1 | 44% | 0.436 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -72.4 | -18.5 | 178.2 | 69.4 | 0 | 0 | 0 | 0 | 115.2 | L151 K158 | L151-T154 PolarHBondContact O-N 3.37Å; L151-T154 PolarHBondContact O-OG1 3.21Å; T154-K158 WeakPolarHBondContact O-CE 3.36Å |
| 155 | L | 55 | Low | 63.8 | Low | 117 Ų | 117 | 113.6 Ų | 113.6 | 61% | 0.613 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -92.2 | -28.4 | 174.3 | -75 | 179.8 | 0 | 0 | 0 | 112.7 | L151 T152 E153 N159 | L151-L155 PolarHBondContact O-N 3.39Å; T152-L155 PolarHBondContact O-N 3.36Å; E153-L155 VanDerWaalsContact C-N 3.32Å; E153-L155 PolarHBondContact O-N 3.28Å; L155-N159 PolarHBondContact O-ND2 3.03Å; L155-N159 VanDerWaalsContact O-ND2 3.11Å |
| 156 | Q | 55.3 | Low | 63.7 | Low | 143 Ų | 143 | 117.2 Ų | 117.2 | 67% | 0.668 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -75.9 | -35.2 | 177.4 | -75.7 | 178.3 | 0.4 | 0 | 0 | 112.3 | T152 E153 K158 N159 | T152-Q156 WeakPolarHBondContact O-CB 3.23Å; T152-Q156 VanDerWaalsContact O-CG 3.23Å; T152-Q156 WeakPolarHBondContact O-CG 3.36Å; T152-Q156 PolarHBondContact O-N 3.05Å; E153-Q156 PolarHBondContact O-N 3.22Å; Q156-K158 PolarHBondContact O-N 2.82Å; Q156-N159 PolarHBondContact O-N 3.19Å |
| 157 | D | 56.3 | Low | 63.4 | Low | 142 Ų | 142 | 122.2 Ų | 122.2 | 76% | 0.759 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -10.8 | -179.9 | -167.5 | 46.3 | 0 | 0 | 0 | 114.3 | E153 | E153-D157 PolarHBondContact O-N 3.03Š|
| 158 | K | 57.3 | Low | 63.1 | Low | 161 Ų | 161 | 125.7 Ų | 125.7 | 70% | 0.7 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.4 | -4.6 | -177.2 | -55.6 | 178.4 | -175.7 | 173.9 | 0 | 114.2 | T154 Q156 E160 | T154-K158 WeakPolarHBondContact O-CE 3.36Å; Q156-K158 PolarHBondContact O-N 2.82Å; K158-E160 PolarHBondContact O-N 3.03Å |
| 159 | N | 57.3 | Low | 63 | Low | 128 Ų | 128 | 130.8 Ų | 130.8 | 68% | 0.684 | 69% | 0.693 | S | S | * | * | | | trans | -90.2 | 55.5 | 171.5 | -74.6 | -72.9 | 0 | 0 | 0 | 109.4 | L155 Q156 V161 | L155-N159 PolarHBondContact O-ND2 3.03Å; L155-N159 VanDerWaalsContact O-ND2 3.11Å; Q156-N159 PolarHBondContact O-N 3.19Å; N159-V161 PolarHBondContact O-N 3.2Å |
| 160 | E | 60.4 | Low | 62.9 | Low | 163 Ų | 163 | 130.8 Ų | 130.8 | 76% | 0.762 | 69% | 0.693 | S | S | * | * | | | trans | -63 | 106 | 164.2 | -172.1 | 176.4 | -165.1 | 0 | 0 | 106.8 | K158 V162 | K158-E160 PolarHBondContact O-N 3.03Å; E160-V162 HydrophobicContact CG-CG2 4.28Å; E160-V162 PolarHBondContact O-N 3.16Å |
| 161 | V | 62 | Low | 63 | Low | 121 Ų | 121 | 135.7 Ų | 135.7 | 73% | 0.733 | 71% | 0.707 | S | S | * | * | | | trans | -65.4 | 87.1 | 174 | 171.2 | 0 | 0 | 0 | 0 | 107.2 | N159 E163 | N159-V161 PolarHBondContact O-N 3.2Å; V161-E163 HydrophobicContact CG1-CG 4.13Å; V161-E163 PolarHBondContact O-N 3.19Å |
| 162 | V | 68 | Low | 63.3 | Low | 101 Ų | 101 | 138.2 Ų | 138.2 | 61% | 0.612 | 72% | 0.72 | S | S | * | * | | | trans | -77.1 | 98.9 | 166.8 | -178.7 | 0 | 0 | 0 | 0 | 106.1 | E160 I164 | E160-V162 HydrophobicContact CG-CG2 4.28Å; E160-V162 PolarHBondContact O-N 3.16Å; V162-I164 HydrophobicContact CG1-CG1 4.31Å; V162-I164 PolarHBondContact O-N 3.3Å |
| 163 | E | 70.1 | Confident | 63.8 | Low | 175 Ų | 175 | 142.6 Ų | 142.6 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | | | trans | -62.2 | 103.3 | 168.8 | -68.2 | -177.8 | 163.1 | 0 | 0 | 108.2 | V161 D165 | V161-E163 HydrophobicContact CG1-CG 4.13Å; V161-E163 PolarHBondContact O-N 3.19Å; E163-D165 PolarHBondContact O-N 3.47Å |
| 164 | I | 73.9 | Confident | 64.2 | Low | 136 Ų | 136 | 142.6 Ų | 142.6 | 70% | 0.697 | 74% | 0.744 | S | S | * | * | | | trans | -82.6 | 104.2 | 175.1 | -59.7 | 169.5 | 0 | 0 | 0 | 106.9 | V162 M166 | V162-I164 HydrophobicContact CG1-CG1 4.31Å; V162-I164 PolarHBondContact O-N 3.3Å; I164-M166 PolarHBondContact O-N 3.34Å; I164-M166 VanDerWaalsContact O-N 3.16Å |
| 165 | D | 75.3 | Confident | 64.9 | Low | 153 Ų | 153 | 147.7 Ų | 147.7 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | trans | -66.4 | 109.5 | 176.1 | -159.3 | 17.5 | 0 | 0 | 0 | 109.3 | E163 E167 | E163-D165 PolarHBondContact O-N 3.47Å; D165-E167 PolarHBondContact O-N 3.48Å |
| 166 | M | 75.6 | Confident | 65.7 | Low | 160 Ų | 160 | 150.1 Ų | 150.1 | 79% | 0.788 | 78% | 0.778 | S | S | * | * | | | trans | -84.6 | 85.1 | 176.4 | -69.6 | -69.6 | -53.3 | 0 | 0 | 107.7 | I164 | I164-M166 PolarHBondContact O-N 3.34Å; I164-M166 VanDerWaalsContact O-N 3.16Å |
| 167 | E | 74.8 | Confident | 66.6 | Low | 175 Ų | 175 | 150.7 Ų | 150.7 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | -59 | 135 | 175.2 | -164.9 | 175.7 | -176.4 | 0 | 0 | 110.3 | D165 | D165-E167 PolarHBondContact O-N 3.48Š|
| 168 | P | 67.6 | Low | 67.5 | Low | 193 Ų | 193 | 151.5 Ų | 151.5 | 100% | 1.253 | 79% | 0.789 | S | S | * | * | | | trans | -74.2 | 0 | -166.6 | 28.6 | -37.3 | 0 | 0 | 0 | 116.5 | | |