| 1 | M | 32.6 | Very low | 28.4 | Very low | 240 Ų | 240 | 182.1 Ų | 182.1 | 100% | 1.182 | 88% | 0.877 | S | S | * | * | | | | 0 | 127.1 | 0 | -68.6 | -178 | -170.7 | 0 | 0 | 109 | | |
| 2 | R | 29.6 | Very low | 28.2 | Very low | 250 Ų | 250 | 183.5 Ų | 183.5 | 94% | 0.943 | 88% | 0.876 | S | S | * | * | | | trans | -171.7 | 105.2 | 133.6 | -97 | 176.5 | -152.9 | -151.9 | 5.8 | 106.6 | | |
| 3 | K | 28.1 | Very low | 28 | Very low | 193 Ų | 193 | 185.1 Ų | 185.1 | 84% | 0.839 | 88% | 0.882 | S | S | * | * | | | trans | -60.9 | 158.8 | 158.8 | -67.9 | 171.5 | 175.6 | 176.9 | 0 | 106.8 | | |
| 4 | D | 31.4 | Very low | 27.8 | Very low | 156 Ų | 156 | 178.6 Ų | 178.6 | 83% | 0.834 | 87% | 0.866 | S | S | * | * | | | trans | 102.8 | 71.4 | 175.9 | -43.5 | -24.5 | 0 | 0 | 0 | 115.4 | | |
| 5 | Q | 30.6 | Very low | 28 | Very low | 167 Ų | 167 | 177.2 Ų | 177.2 | 78% | 0.78 | 86% | 0.863 | S | S | * | * | | | trans | -140.5 | 101.7 | 149.7 | -74.2 | -167.6 | -6.6 | 0 | 0 | 109.8 | F7 | Q5-F7 HydrophobicContact CB-CE2 4.5Š|
| 6 | C | 27.3 | Very low | 28.1 | Very low | 134 Ų | 134 | 175.7 Ų | 175.7 | 91% | 0.905 | 86% | 0.859 | S | S | * | * | | | trans | -85.9 | 127.6 | 164.8 | -68.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 7 | F | 27.2 | Very low | 28 | Very low | 175 Ų | 175 | 171.3 Ų | 171.3 | 77% | 0.768 | 85% | 0.85 | S | S | * | * | | | trans | -101 | 133.8 | 170.4 | -82.8 | -88.8 | 0 | 0 | 0 | 110.3 | Q5 | Q5-F7 HydrophobicContact CB-CE2 4.5Š|
| 8 | P | 27.5 | Very low | 28.2 | Very low | 123 Ų | 123 | 173.6 Ų | 173.6 | 80% | 0.799 | 85% | 0.854 | S | S | * | * | | | trans | -86.5 | 113.8 | 176.2 | 32.5 | -28.6 | 0 | 0 | 0 | 110.3 | R10 | P8-R10 PolarHBondContact O-N 3.15Š|
| 9 | L | 26.5 | Very low | 28.2 | Very low | 159 Ų | 159 | 169.2 Ų | 169.2 | 83% | 0.832 | 84% | 0.842 | S | S | * | * | | | trans | -85.6 | 102.6 | 170 | -86.6 | 161.8 | 0 | 0 | 0 | 110 | L11 | L9-L11 PolarHBondContact O-N 2.83Š|
| 10 | R | 23.9 | Very low | 28.3 | Very low | 244 Ų | 244 | 171.5 Ų | 171.5 | 92% | 0.921 | 85% | 0.846 | S | S | * | * | | | trans | -70.7 | 113.5 | 163.6 | -79.4 | -173.7 | 174.3 | 176.6 | -0.9 | 109.3 | P8 | P8-R10 PolarHBondContact O-N 3.15Š|
| 11 | L | 27.6 | Very low | 28.4 | Very low | 162 Ų | 162 | 168.3 Ų | 168.3 | 85% | 0.848 | 84% | 0.836 | S | S | * | * | | | trans | -108.7 | 131 | 167.5 | -99.1 | 144.2 | 0 | 0 | 0 | 111.1 | L9 | L9-L11 PolarHBondContact O-N 2.83Š|
| 12 | K | 26.1 | Very low | 28.2 | Very low | 199 Ų | 199 | 162 Ų | 162 | 87% | 0.865 | 81% | 0.814 | S | S | * | * | | | trans | -67.4 | 127.6 | -167.4 | -73.8 | 171.9 | 173.7 | 174.7 | 0 | 111.8 | S14 | K12-S14 PolarHBondContact O-N 2.71Å; K12-S14 VanDerWaalsContact O-N 3.16Å |
| 13 | Q | 25.7 | Very low | 28.1 | Very low | 204 Ų | 204 | 159.6 Ų | 159.6 | 95% | 0.953 | 81% | 0.813 | S | S | * | * | | | trans | -52.8 | 112.5 | 158.7 | -78.2 | 176.2 | -35.5 | 0 | 0 | 110 | | |
| 14 | S | 24.8 | Very low | 28.1 | Very low | 94 Ų | 94 | 158.3 Ų | 158.3 | 66% | 0.657 | 81% | 0.81 | S | S | * | * | | | trans | -161.2 | 126 | 170.9 | 175.1 | 0 | 0 | 0 | 0 | 107.2 | K12 | K12-S14 PolarHBondContact O-N 2.71Å; K12-S14 VanDerWaalsContact O-N 3.16Å |
| 15 | I | 30.5 | Very low | 27.9 | Very low | 158 Ų | 158 | 156.4 Ų | 156.4 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | S | Bend | trans | 85.7 | 46.1 | 172.9 | -34.8 | 159.6 | 0 | 0 | 0 | 116 | | |
| 16 | L | 29.9 | Very low | 27.8 | Very low | 153 Ų | 153 | 156.3 Ų | 156.3 | 80% | 0.801 | 81% | 0.813 | S | S | * | * | | | trans | -133.1 | 58.9 | 157.9 | -88.2 | 166 | 0 | 0 | 0 | 109.4 | | |
| 17 | S | 26.9 | Very low | 27.8 | Very low | 101 Ų | 101 | 154.7 Ų | 154.7 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -136.1 | 83 | 171.1 | 68.2 | 0 | 0 | 0 | 0 | 108.5 | | |
| 18 | K | 30.9 | Very low | 27.8 | Very low | 213 Ų | 213 | 153.7 Ų | 153.7 | 93% | 0.926 | 80% | 0.798 | S | S | * | * | S | Bend | trans | 175.5 | -7.7 | 154.7 | -96.8 | 158.5 | -168.7 | -171.8 | 0 | 116.6 | | |
| 19 | S | 29.7 | Very low | 28 | Very low | 89 Ų | 89 | 155.2 Ų | 155.2 | 62% | 0.622 | 80% | 0.799 | S | S | * | * | | | trans | -97.2 | 119.6 | 175.4 | 69 | 0 | 0 | 0 | 0 | 111.8 | V21 | S19-V21 PolarHBondContact O-N 2.97Š|
| 20 | K | 29.3 | Very low | 28.2 | Very low | 215 Ų | 215 | 151.6 Ų | 151.6 | 94% | 0.935 | 80% | 0.8 | S | S | * | * | | | trans | -75.7 | 49 | 172.7 | -76.5 | 179.8 | 170.8 | 179.4 | 0 | 111.4 | | |
| 21 | V | 29.9 | Very low | 28.6 | Very low | 105 Ų | 105 | 141.6 Ų | 141.6 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | | | trans | -87.3 | 121.7 | 170.9 | -175.1 | 0 | 0 | 0 | 0 | 107.2 | S19 Q23 | S19-V21 PolarHBondContact O-N 2.97Å; V21-Q23 PolarHBondContact O-N 3.32Å |
| 22 | P | 28.2 | Very low | 28.8 | Very low | 108 Ų | 108 | 141.6 Ų | 141.6 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | | | trans | -61 | 114.8 | 176.2 | -11.8 | 24.7 | 0 | 0 | 0 | 108.2 | Q24 | P22-Q24 PolarHBondContact O-N 2.77Š|
| 23 | Q | 28.8 | Very low | 29.2 | Very low | 199 Ų | 199 | 135.2 Ų | 135.2 | 93% | 0.93 | 74% | 0.743 | S | S | * | * | | | trans | -66.7 | 80.6 | 162.9 | -78.1 | -174.1 | -40.1 | 0 | 0 | 107.4 | V21 S25 | V21-Q23 PolarHBondContact O-N 3.32Å; Q23-S25 PolarHBondContact O-N 2.88Å |
| 24 | Q | 27.1 | Very low | 29.6 | Very low | 166 Ų | 166 | 129 Ų | 129 | 78% | 0.776 | 72% | 0.719 | S | S | * | * | | | trans | -74.7 | 116.2 | 163.3 | -93 | -175 | -20 | 0 | 0 | 107.6 | P22 L26 | P22-Q24 PolarHBondContact O-N 2.77Å; Q24-L26 PolarHBondContact O-N 2.91Å |
| 25 | S | 26.8 | Very low | 30 | Very low | 116 Ų | 116 | 128 Ų | 128 | 81% | 0.811 | 72% | 0.716 | S | S | * | * | | | trans | -44 | 98.5 | 171.8 | 54.1 | 0 | 0 | 0 | 0 | 112.3 | Q23 | Q23-S25 PolarHBondContact O-N 2.88Š|
| 26 | L | 28.4 | Very low | 30 | Very low | 166 Ų | 166 | 122.7 Ų | 122.7 | 87% | 0.869 | 70% | 0.696 | S | S | * | * | | | trans | -116 | 60.5 | 166.4 | -81.1 | 165.1 | 0 | 0 | 0 | 108.3 | Q24 | Q24-L26 PolarHBondContact O-N 2.91Š|
| 27 | L | 28.8 | Very low | 30.2 | Very low | 99 Ų | 99 | 122 Ų | 122 | 52% | 0.518 | 69% | 0.693 | S | S | . | * | | | trans | -144.1 | 72.5 | 176.5 | -84.6 | 162.2 | 0 | 0 | 0 | 108.6 | A31 V33 | L27-A31 HydrophobicContact CD2-CB 3.87Å; L27-A31 WeakPolarHBondContact CD2-O 3.17Å; L27-V33 HydrophobicContact CD1-CG2 4.01Å; L27-V33 HydrophobicContact CD2-CG2 4.35Å |
| 28 | N | 27.6 | Very low | 30.4 | Very low | 155 Ų | 155 | 122 Ų | 122 | 83% | 0.829 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -81.7 | 131.6 | 147.1 | -80.2 | -18.9 | 0 | 0 | 0 | 105.3 | | |
| 29 | D | 31.2 | Very low | 30.3 | Very low | 154 Ų | 154 | 117 Ų | 117 | 82% | 0.824 | 68% | 0.675 | S | S | * | * | S | Bend | trans | 85.2 | 57.9 | 176.3 | -47.9 | -27.1 | 0 | 0 | 0 | 117.3 | A31 | D29-A31 PolarHBondContact O-N 2.86Š|
| 30 | G | 29.7 | Very low | 30.3 | Very low | 84 Ų | 84 | 117.2 Ų | 117.2 | 87% | 0.866 | 67% | 0.674 | S | S | * | * | | | trans | 62.4 | 4.5 | 142.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | E32 | G30-E32 PolarHBondContact O-N 3.45Š|
| 31 | A | 31.9 | Very low | 30.3 | Very low | 33 Ų | 33 | 108.7 Ų | 108.7 | 27% | 0.273 | 64% | 0.64 | S | S | . | * | | | trans | -79.5 | 117.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | L27 D29 V33 | L27-A31 HydrophobicContact CD2-CB 3.87Å; L27-A31 WeakPolarHBondContact CD2-O 3.17Å; D29-A31 PolarHBondContact O-N 2.86Å; A31-V33 PolarHBondContact O-N 3.49Å |
| 32 | E | 33 | Very low | 30.5 | Very low | 163 Ų | 163 | 112.1 Ų | 112.1 | 76% | 0.762 | 66% | 0.655 | S | S | * | * | | | trans | -74.2 | 115.4 | 170.2 | -76.7 | -171.5 | 151.9 | 0 | 0 | 109.5 | G30 T34 V53 | G30-E32 PolarHBondContact O-N 3.45Å; E32-T34 PolarHBondContact O-N 3.18Å; E32-V53 WeakPolarHBondContact O-CB 3.36Å |
| 33 | V | 33.6 | Very low | 30.8 | Very low | 64 Ų | 64 | 112.3 Ų | 112.3 | 39% | 0.388 | 65% | 0.65 | S | S | . | * | | | trans | -79 | 103.1 | 172.1 | -178 | 0 | 0 | 0 | 0 | 108.5 | L27 A31 V52 | L27-V33 HydrophobicContact CD1-CG2 4.01Å; L27-V33 HydrophobicContact CD2-CG2 4.35Å; A31-V33 PolarHBondContact O-N 3.49Å; V33-V52 HydrophobicContact CG2-CG1 4.21Å |
| 34 | T | 34.2 | Very low | 31 | Very low | 73 Ų | 73 | 106.3 Ų | 106.3 | 45% | 0.448 | 64% | 0.641 | S | S | . | * | | | trans | -84 | 112.7 | 168.5 | 45.3 | 0 | 0 | 0 | 0 | 109.1 | E32 A36 V53 | E32-T34 PolarHBondContact O-N 3.18Å; T34-A36 VanDerWaalsContact C-N 3.26Å; T34-A36 PolarHBondContact O-N 3.2Å; T34-V53 WeakPolarHBondContact OG1-CG2 3.27Å |
| 35 | A | 34.1 | Very low | 31.2 | Very low | 73 Ų | 73 | 101.3 Ų | 101.3 | 60% | 0.603 | 62% | 0.622 | S | S | * | * | | | trans | -70 | 85.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 36 | A | 31 | Very low | 31.3 | Very low | 48 Ų | 48 | 101.9 Ų | 101.9 | 40% | 0.397 | 61% | 0.614 | S | S | . | * | | | trans | -92 | 125 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | T34 V51 | T34-A36 VanDerWaalsContact C-N 3.26Å; T34-A36 PolarHBondContact O-N 3.2Å; A36-V51 HydrophobicContact CB-CB 4.47Å |
| 37 | D | 32.7 | Very low | 31.4 | Very low | 139 Ų | 139 | 96.3 Ų | 96.3 | 74% | 0.743 | 58% | 0.584 | S | S | * | * | | | trans | 43.6 | 86.4 | 170.6 | -74.4 | -23.8 | 0 | 0 | 0 | 118.1 | V39 | D37-V39 VanDerWaalsContact C-N 3.32Å; D37-V39 PolarHBondContact O-N 3.3Å |
| 38 | V | 30.8 | Very low | 31.4 | Very low | 101 Ų | 101 | 92.9 Ų | 92.9 | 61% | 0.612 | 57% | 0.573 | S | S | * | * | | | trans | -69.7 | 91.6 | 156.7 | -178.3 | 0 | 0 | 0 | 0 | 108.2 | T40 | V38-T40 PolarHBondContact O-N 3.42Å; V38-T40 VanDerWaalsContact O-N 3.14Å |
| 39 | V | 29.3 | Very low | 31.7 | Very low | 106 Ų | 106 | 87.4 Ų | 87.4 | 64% | 0.642 | 55% | 0.549 | S | S | * | . | | | trans | -69.1 | 109.2 | 168.3 | -176.1 | 0 | 0 | 0 | 0 | 107.3 | D37 P41 | D37-V39 VanDerWaalsContact C-N 3.32Å; D37-V39 PolarHBondContact O-N 3.3Å; V39-P41 WeakPolarHBondContact O-CD 3.3Å |
| 40 | T | 30 | Very low | 31.7 | Very low | 95 Ų | 95 | 84 Ų | 84 | 58% | 0.583 | 53% | 0.531 | S | S | * | . | | | trans | -88 | 115.5 | 172.7 | 8.7 | 0 | 0 | 0 | 0 | 108.1 | V38 | V38-T40 PolarHBondContact O-N 3.42Å; V38-T40 VanDerWaalsContact O-N 3.14Å |
| 41 | P | 28.9 | Very low | 31.7 | Very low | 35 Ų | 35 | 81.7 Ų | 81.7 | 23% | 0.227 | 50% | 0.5 | C | S | . | . | | | trans | -59.1 | 136.9 | 166.1 | -18 | 31.3 | 0 | 0 | 0 | 109.7 | V39 D43 G44 T45 L47 | V39-P41 WeakPolarHBondContact O-CD 3.3Å; P41-D43 VanDerWaalsContact C-OD1 3.26Å; P41-D43 WeakPolarHBondContact CA-OD1 3.14Å; P41-D43 WeakPolarHBondContact CB-OD1 3.45Å; P41-D43 PolarHBondContact O-N 3.4Å; P41-G44 PolarHBondContact O-N 3.27Å; P41-T45 VanDerWaalsContact CD-O 3.26Å; P41-T45 WeakPolarHBondContact CD-O 3.49Å; P41-T45 WeakPolarHBondContact CG-O 3.37Å; P41-L47 HydrophobicContact CG-CB 4.09Å; P41-L47 HydrophobicContact CG-CD1 4.3Å |
| 42 | N | 34.4 | Very low | 31.8 | Very low | 178 Ų | 178 | 81.8 Ų | 81.8 | 95% | 0.952 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -1.9 | -178.6 | -87.9 | -30.8 | 0 | 0 | 0 | 114 | | |
| 43 | D | 34.8 | Very low | 31.6 | Very low | 112 Ų | 112 | 75.3 Ų | 75.3 | 60% | 0.599 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 6.7 | -173.6 | 38.3 | -46.2 | 0 | 0 | 0 | 113.7 | P41 T45 | P41-D43 VanDerWaalsContact C-OD1 3.26Å; P41-D43 WeakPolarHBondContact CA-OD1 3.14Å; P41-D43 WeakPolarHBondContact CB-OD1 3.45Å; P41-D43 PolarHBondContact O-N 3.4Å; D43-T45 PolarHBondContact O-N 2.93Å; D43-T45 VanDerWaalsContact O-N 3.15Å; D43-T45 PolarHBondContact OD2-OG1 3.41Å |
| 44 | G | 31.8 | Very low | 31.6 | Very low | 72 Ų | 72 | 77 Ų | 77 | 74% | 0.742 | 48% | 0.479 | S | S | * | . | S | Bend | trans | 73.9 | -0 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | P41 M46 | P41-G44 PolarHBondContact O-N 3.27Å; G44-M46 PolarHBondContact O-N 3.09Å |
| 45 | T | 32.5 | Very low | 31.4 | Very low | 61 Ų | 61 | 78.8 Ų | 78.8 | 37% | 0.374 | 49% | 0.485 | S | S | . | . | | | trans | -77.3 | 103.9 | 168.3 | 34 | 0 | 0 | 0 | 0 | 108.8 | P41 D43 L47 | P41-T45 VanDerWaalsContact CD-O 3.26Å; P41-T45 WeakPolarHBondContact CD-O 3.49Å; P41-T45 WeakPolarHBondContact CG-O 3.37Å; D43-T45 PolarHBondContact O-N 2.93Å; D43-T45 VanDerWaalsContact O-N 3.15Å; D43-T45 PolarHBondContact OD2-OG1 3.41Å; T45-L47 VanDerWaalsContact C-N 3.29Å; T45-L47 PolarHBondContact O-N 2.89Å |
| 46 | M | 28.3 | Very low | 31.2 | Very low | 129 Ų | 129 | 80.2 Ų | 80.2 | 64% | 0.635 | 50% | 0.497 | S | S | * | . | | | trans | -72 | 84.8 | 173.9 | -68.5 | -145.5 | -145.3 | 0 | 0 | 110.6 | G44 G48 T66 | G44-M46 PolarHBondContact O-N 3.09Å; M46-G48 VanDerWaalsContact C-N 3.32Å; M46-G48 PolarHBondContact O-N 3.19Å; M46-T66 PolarHBondContact O-OG1 3.38Å; M46-T66 VanDerWaalsContact O-OG1 3.12Å |
| 47 | L | 30.1 | Very low | 31.2 | Very low | 49 Ų | 49 | 87.5 Ų | 87.5 | 26% | 0.257 | 52% | 0.52 | S | S | . | . | | | trans | -84 | 81 | 158.4 | -74.8 | 166.9 | 0 | 0 | 0 | 107.8 | P41 T45 A49 V63 A141 P142 | P41-L47 HydrophobicContact CG-CB 4.09Å; P41-L47 HydrophobicContact CG-CD1 4.3Å; T45-L47 VanDerWaalsContact C-N 3.29Å; T45-L47 PolarHBondContact O-N 2.89Å; L47-A49 PolarHBondContact O-N 2.93Å; L47-V63 HydrophobicContact CD2-CG1 4.44Å; L47-A141 HydrophobicContact CD1-CB 4.5Å; L47-A141 HydrophobicContact CD2-CB 3.76Å; L47-P142 HydrophobicContact CD1-CG 4.11Å |
| 48 | G | 29.6 | Very low | 31 | Very low | 27 Ų | 27 | 86 Ų | 86 | 28% | 0.278 | 51% | 0.511 | S | S | . | . | | | trans | -74.8 | 103 | 168.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | M46 L50 | M46-G48 VanDerWaalsContact C-N 3.32Å; M46-G48 PolarHBondContact O-N 3.19Å; G48-L50 PolarHBondContact O-N 3.17Å |
| 49 | A | 33.1 | Very low | 31.1 | Very low | 40 Ų | 40 | 86.6 Ų | 86.6 | 33% | 0.331 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 114.3 | 157.2 | 0 | 0 | 0 | 0 | 0 | 106.8 | L47 V63 | L47-A49 PolarHBondContact O-N 2.93Å; A49-V63 HydrophobicContact CB-CG2 4.34Å |
| 50 | L | 31.6 | Very low | 31.3 | Very low | 82 Ų | 82 | 82.3 Ų | 82.3 | 43% | 0.429 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 113.2 | 170.4 | -176.3 | 72.8 | 0 | 0 | 0 | 107 | G48 V52 V62 | G48-L50 PolarHBondContact O-N 3.17Å; L50-V52 HydrophobicContact CD2-CG2 3.64Å; L50-V52 HydrophobicContact CG-CG2 3.83Å; L50-V52 PolarHBondContact O-N 3.23Å; L50-V62 PolarHBondContact N-O 3.06Å; L50-V62 PolarHBondContact O-N 3.06Å |
| 51 | V | 30.8 | Very low | 31.5 | Very low | 36 Ų | 36 | 80.4 Ų | 80.4 | 22% | 0.218 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 119.3 | 165.8 | -176 | 0 | 0 | 0 | 0 | 107.4 | A36 D59 | A36-V51 HydrophobicContact CB-CB 4.47Å; V51-D59 HydrophobicContact CG1-CB 3.7Å |
| 52 | V | 32.5 | Very low | 31.9 | Very low | 34 Ų | 34 | 81.8 Ų | 81.8 | 21% | 0.206 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 117.9 | 175.3 | -179.5 | 0 | 0 | 0 | 0 | 106.5 | V33 L50 V54 G60 V62 | V33-V52 HydrophobicContact CG2-CG1 4.21Å; L50-V52 HydrophobicContact CD2-CG2 3.64Å; L50-V52 HydrophobicContact CG-CG2 3.83Å; L50-V52 PolarHBondContact O-N 3.23Å; V52-V54 HydrophobicContact CG1-CG2 4.49Å; V52-V54 WeakPolarHBondContact O-CG2 3.19Å; V52-V54 PolarHBondContact O-N 3.4Å; V52-V54 VanDerWaalsContact O-N 3.07Å; V52-G60 PolarHBondContact N-O 3.32Å; V52-G60 WeakPolarHBondContact O-CA 3.48Å; V52-G60 PolarHBondContact O-N 3.04Å; V52-G60 VanDerWaalsContact O-O 3.07Å; V52-V62 HydrophobicContact CB-CG2 4.35Å; V52-V62 HydrophobicContact CG2-CB 4.35Å; V52-V62 HydrophobicContact CG2-CG2 3.85Å |
| 53 | V | 29.7 | Very low | 32.1 | Very low | 27 Ų | 27 | 77.2 Ų | 77.2 | 16% | 0.164 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 109.4 | 173.1 | -173.4 | 0 | 0 | 0 | 0 | 107.6 | E32 T34 | E32-V53 WeakPolarHBondContact O-CB 3.36Å; T34-V53 WeakPolarHBondContact OG1-CG2 3.27Å |
| 54 | V | 33.7 | Very low | 32.2 | Very low | 101 Ų | 101 | 76 Ų | 76 | 61% | 0.612 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.9 | -28.5 | -177.3 | -175.9 | 0 | 0 | 0 | 0 | 110.4 | V52 I58 | V52-V54 HydrophobicContact CG1-CG2 4.49Å; V52-V54 WeakPolarHBondContact O-CG2 3.19Å; V52-V54 PolarHBondContact O-N 3.4Å; V52-V54 VanDerWaalsContact O-N 3.07Å; V54-I58 PolarHBondContact N-O 3.03Å |
| 55 | N | 29.6 | Very low | 32.2 | Very low | 110 Ų | 110 | 74.6 Ų | 74.6 | 59% | 0.588 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 159.9 | 174.3 | -152.8 | -24.1 | 0 | 0 | 0 | 109.6 | K57 I58 | N55-K57 PolarHBondContact O-N 3.39Å; N55-I58 PolarHBondContact N-O 2.89Å; N55-I58 PolarHBondContact O-N 3.34Å |
| 56 | A | 29.1 | Very low | 32.4 | Very low | 103 Ų | 103 | 76.7 Ų | 76.7 | 85% | 0.851 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -3.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 57 | K | 31.6 | Very low | 32.6 | Very low | 200 Ų | 200 | 75.5 Ų | 75.5 | 87% | 0.87 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.7 | -12.3 | 179.4 | -66.3 | -177.3 | 178.6 | 180 | 0 | 114.2 | N55 | N55-K57 PolarHBondContact O-N 3.39Š|
| 58 | I | 27.8 | Very low | 32.7 | Very low | 109 Ų | 109 | 74 Ų | 74 | 56% | 0.559 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 115.3 | -171.8 | -53.9 | 178.5 | 0 | 0 | 0 | 109.8 | V54 N55 | V54-I58 PolarHBondContact N-O 3.03Å; N55-I58 PolarHBondContact N-O 2.89Å; N55-I58 PolarHBondContact O-N 3.34Å |
| 59 | D | 34.4 | Very low | 32.8 | Very low | 112 Ų | 112 | 78.3 Ų | 78.3 | 60% | 0.599 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 118.5 | 164.8 | -67.1 | -32.9 | 0 | 0 | 0 | 108.2 | V51 | V51-D59 HydrophobicContact CG1-CB 3.7Å |
| 60 | G | 33.8 | Very low | 32.9 | Very low | 17 Ų | 17 | 79.5 Ų | 79.5 | 18% | 0.175 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 133.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | V52 | V52-G60 PolarHBondContact N-O 3.32Å; V52-G60 WeakPolarHBondContact O-CA 3.48Å; V52-G60 PolarHBondContact O-N 3.04Å; V52-G60 VanDerWaalsContact O-O 3.07Å |
| 61 | A | 33.9 | Very low | 33 | Very low | 55 Ų | 55 | 80.2 Ų | 80.2 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 124.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 62 | V | 37.3 | Very low | 33.2 | Very low | 63 Ų | 63 | 84 Ų | 84 | 38% | 0.382 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 116.7 | 174.5 | -176.4 | 0 | 0 | 0 | 0 | 108.5 | L50 V52 V64 | L50-V62 PolarHBondContact N-O 3.06Å; L50-V62 PolarHBondContact O-N 3.06Å; V52-V62 HydrophobicContact CB-CG2 4.35Å; V52-V62 HydrophobicContact CG2-CB 4.35Å; V52-V62 HydrophobicContact CG2-CG2 3.85Å; V62-V64 HydrophobicContact CG1-CG2 3.98Å |
| 63 | V | 37.6 | Very low | 33.5 | Very low | 83 Ų | 83 | 85.2 Ų | 85.2 | 50% | 0.503 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 117.3 | 173.3 | -176.9 | 0 | 0 | 0 | 0 | 108.8 | L47 A49 | L47-V63 HydrophobicContact CD2-CG1 4.44Å; A49-V63 HydrophobicContact CB-CG2 4.34Å |
| 64 | V | 36.4 | Very low | 33.8 | Very low | 86 Ų | 86 | 86.3 Ų | 86.3 | 52% | 0.521 | 54% | 0.536 | S | S | . | . | | | trans | -112.3 | 105.5 | 172.3 | -174.3 | 0 | 0 | 0 | 0 | 108.4 | V62 T66 | V62-V64 HydrophobicContact CG1-CG2 3.98Å; V64-T66 PolarHBondContact O-N 3.4Å; V64-T66 VanDerWaalsContact O-N 3.14Å |
| 65 | P | 32.9 | Very low | 33.7 | Very low | 42 Ų | 42 | 84 Ų | 84 | 27% | 0.273 | 53% | 0.528 | S | S | . | . | | | trans | -68.1 | 115.5 | 175.6 | 26.7 | -31.2 | 0 | 0 | 0 | 109.1 | A67 G68 | P65-A67 PolarHBondContact O-N 2.98Å; P65-A67 VanDerWaalsContact O-N 3.07Å; P65-G68 PolarHBondContact O-N 3.19Å |
| 66 | T | 37.6 | Very low | 33.9 | Very low | 106 Ų | 106 | 83 Ų | 83 | 65% | 0.65 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -8.7 | 177.4 | 46 | 0 | 0 | 0 | 0 | 113.6 | M46 V64 | M46-T66 PolarHBondContact O-OG1 3.38Å; M46-T66 VanDerWaalsContact O-OG1 3.12Å; V64-T66 PolarHBondContact O-N 3.4Å; V64-T66 VanDerWaalsContact O-N 3.14Å |
| 67 | A | 31.6 | Very low | 34.3 | Very low | 103 Ų | 103 | 82 Ų | 82 | 85% | 0.851 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.5 | 4.5 | -177 | 0 | 0 | 0 | 0 | 0 | 114.9 | P65 | P65-A67 PolarHBondContact O-N 2.98Å; P65-A67 VanDerWaalsContact O-N 3.07Å |
| 68 | G | 31.7 | Very low | 34.3 | Very low | 18 Ų | 18 | 75.8 Ų | 75.8 | 19% | 0.186 | 49% | 0.487 | C | S | . | . | | | trans | -124.3 | 25.5 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | P65 V70 V139 | P65-G68 PolarHBondContact O-N 3.19Å; G68-V70 PolarHBondContact O-N 3.05Å; G68-V139 WeakPolarHBondContact O-CG1 3.36Å |
| 69 | V | 32.8 | Very low | 34.3 | Very low | 117 Ų | 117 | 75.2 Ų | 75.2 | 71% | 0.709 | 49% | 0.488 | S | S | * | . | | | trans | -87.2 | 94.5 | 171.4 | -174.5 | 0 | 0 | 0 | 0 | 107.5 | P71 | V69-P71 WeakPolarHBondContact O-CD 3.38Š|
| 70 | V | 34 | Very low | 34.1 | Very low | 66 Ų | 66 | 73.8 Ų | 73.8 | 40% | 0.4 | 48% | 0.484 | S | S | . | . | | | trans | -67.7 | 116.3 | 166.1 | 172.2 | 0 | 0 | 0 | 0 | 107.8 | G68 N72 I73 V139 | G68-V70 PolarHBondContact O-N 3.05Å; V70-N72 PolarHBondContact O-N 3.5Å; V70-I73 HydrophobicContact CB-CD1 3.7Å; V70-I73 HydrophobicContact CB-CG1 4.05Å; V70-I73 HydrophobicContact CG1-CD1 3.77Å; V70-I73 HydrophobicContact CG1-CG1 3.72Å; V70-I73 HydrophobicContact CG2-CD1 4.27Å; V70-V139 HydrophobicContact CB-CG1 4.19Å; V70-V139 HydrophobicContact CB-CG2 4.24Å; V70-V139 HydrophobicContact CG2-CB 4.14Å; V70-V139 HydrophobicContact CG2-CG1 3.68Å; V70-V139 HydrophobicContact CG2-CG2 3.23Å |
| 71 | P | 34.4 | Very low | 33.9 | Very low | 97 Ų | 97 | 73.7 Ų | 73.7 | 63% | 0.63 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 128.1 | 173.9 | 25.1 | -30.5 | 0 | 0 | 0 | 108 | V69 | V69-P71 WeakPolarHBondContact O-CD 3.38Š|
| 72 | N | 35.9 | Very low | 33.6 | Very low | 114 Ų | 114 | 74 Ų | 74 | 61% | 0.61 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.3 | -4.4 | 170.2 | -46.5 | -38.6 | 0 | 0 | 0 | 119.3 | V70 A75 T76 | V70-N72 PolarHBondContact O-N 3.5Å; N72-A75 HydrophobicContact CB-CB 4.48Å; N72-A75 PolarHBondContact O-N 3.42Å; N72-T76 WeakPolarHBondContact O-CB 3.44Å; N72-T76 PolarHBondContact O-N 3.03Å; N72-T76 PolarHBondContact O-OG1 2.93Å |
| 73 | I | 38.2 | Very low | 33.2 | Very low | 61 Ų | 61 | 76.7 Ų | 76.7 | 31% | 0.313 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64 | -49.8 | 171.8 | -65.2 | 177.7 | 0 | 0 | 0 | 110.1 | V70 A75 T76 V77 A135 V139 | V70-I73 HydrophobicContact CB-CD1 3.7Å; V70-I73 HydrophobicContact CB-CG1 4.05Å; V70-I73 HydrophobicContact CG1-CD1 3.77Å; V70-I73 HydrophobicContact CG1-CG1 3.72Å; V70-I73 HydrophobicContact CG2-CD1 4.27Å; I73-A75 VanDerWaalsContact C-N 3.29Å; I73-A75 PolarHBondContact O-N 3.32Å; I73-T76 PolarHBondContact O-N 3.11Å; I73-T76 VanDerWaalsContact O-N 3.11Å; I73-V77 WeakPolarHBondContact O-CG2 3.46Å; I73-V77 PolarHBondContact O-N 3.04Å; I73-A135 HydrophobicContact CD1-CB 4.49Å; I73-V139 HydrophobicContact CD1-CG2 4.41Å |
| 74 | G | 34.9 | Very low | 32.7 | Very low | 50 Ų | 50 | 78.7 Ų | 78.7 | 52% | 0.515 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.8 | -38.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | T76 V77 V78 | G74-T76 PolarHBondContact O-N 3.48Å; G74-V77 PolarHBondContact O-N 2.82Å; G74-V78 WeakPolarHBondContact O-CG2 3.19Å; G74-V78 PolarHBondContact O-N 3.37Å |
| 75 | A | 32.5 | Very low | 32.3 | Very low | 53 Ų | 53 | 81.2 Ų | 81.2 | 44% | 0.438 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.1 | -36.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | N72 I73 V78 V79 | N72-A75 HydrophobicContact CB-CB 4.48Å; N72-A75 PolarHBondContact O-N 3.42Å; I73-A75 VanDerWaalsContact C-N 3.29Å; I73-A75 PolarHBondContact O-N 3.32Å; A75-V78 PolarHBondContact O-N 2.99Å; A75-V79 WeakPolarHBondContact O-CG2 3.49Å; A75-V79 PolarHBondContact O-N 3.42Å |
| 76 | T | 33.7 | Very low | 32.4 | Very low | 87 Ų | 87 | 82.9 Ų | 82.9 | 53% | 0.534 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.4 | -41.8 | 178 | -53.8 | 0 | 0 | 0 | 0 | 111.1 | N72 I73 G74 V78 V79 T80 | N72-T76 WeakPolarHBondContact O-CB 3.44Å; N72-T76 PolarHBondContact O-N 3.03Å; N72-T76 PolarHBondContact O-OG1 2.93Å; I73-T76 PolarHBondContact O-N 3.11Å; I73-T76 VanDerWaalsContact O-N 3.11Å; G74-T76 PolarHBondContact O-N 3.48Å; T76-V78 VanDerWaalsContact C-N 3.29Å; T76-V78 PolarHBondContact O-N 2.74Å; T76-V79 PolarHBondContact O-N 3.03Å; T76-T80 PolarHBondContact O-N 3.39Å; T76-T80 PolarHBondContact O-OG1 3.33Å |
| 77 | V | 37.2 | Very low | 32 | Very low | 83 Ų | 83 | 79.1 Ų | 79.1 | 50% | 0.503 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.8 | -38.1 | 173.5 | 177 | 0 | 0 | 0 | 0 | 111.2 | I73 G74 V79 T80 A81 L88 | I73-V77 WeakPolarHBondContact O-CG2 3.46Å; I73-V77 PolarHBondContact O-N 3.04Å; G74-V77 PolarHBondContact O-N 2.82Å; V77-V79 PolarHBondContact O-N 2.73Å; V77-T80 PolarHBondContact O-N 3.03Å; V77-A81 VanDerWaalsContact O-CB 3.27Å; V77-A81 WeakPolarHBondContact O-CB 3.44Å; V77-A81 PolarHBondContact O-N 3.22Å; V77-L88 HydrophobicContact CG1-CD1 4.38Å |
| 78 | V | 32.5 | Very low | 32.1 | Very low | 70 Ų | 70 | 77.7 Ų | 77.7 | 42% | 0.424 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64 | -37.9 | 174.6 | 172.5 | 0 | 0 | 0 | 0 | 112.6 | G74 A75 T76 A82 L88 | G74-V78 WeakPolarHBondContact O-CG2 3.19Å; G74-V78 PolarHBondContact O-N 3.37Å; A75-V78 PolarHBondContact O-N 2.99Å; T76-V78 VanDerWaalsContact C-N 3.29Å; T76-V78 PolarHBondContact O-N 2.74Å; V78-A82 VanDerWaalsContact O-CB 3.3Å; V78-A82 WeakPolarHBondContact O-CB 3.37Å; V78-A82 PolarHBondContact O-N 3.05Å; V78-L88 HydrophobicContact CG2-CB 4.15Å; V78-L88 HydrophobicContact CG2-CD1 3.94Å |
| 79 | V | 27.8 | Very low | 32.2 | Very low | 97 Ų | 97 | 80 Ų | 80 | 59% | 0.588 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -68.2 | -43.7 | 176 | 175.1 | 0 | 0 | 0 | 0 | 111 | A75 T76 V77 A82 V83 | A75-V79 WeakPolarHBondContact O-CG2 3.49Å; A75-V79 PolarHBondContact O-N 3.42Å; T76-V79 PolarHBondContact O-N 3.03Å; V77-V79 PolarHBondContact O-N 2.73Å; V79-A82 WeakPolarHBondContact O-CB 3Å; V79-A82 PolarHBondContact O-N 3.49Å; V79-V83 WeakPolarHBondContact O-CG2 3.44Å; V79-V83 PolarHBondContact O-N 2.67Å |
| 80 | T | 29.4 | Very low | 32.3 | Very low | 81 Ų | 81 | 79.4 Ų | 79.4 | 50% | 0.497 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.8 | -37.7 | 179.5 | -43.1 | 0 | 0 | 0 | 0 | 112.4 | T76 V77 A82 V83 L84 | T76-T80 PolarHBondContact O-N 3.39Å; T76-T80 PolarHBondContact O-OG1 3.33Å; V77-T80 PolarHBondContact O-N 3.03Å; T80-A82 VanDerWaalsContact C-N 3.33Å; T80-V83 WeakPolarHBondContact O-CB 3.12Å; T80-V83 PolarHBondContact O-N 2.93Å; T80-L84 PolarHBondContact O-N 3.45Å |
| 81 | A | 30.2 | Very low | 32.5 | Very low | 15 Ų | 15 | 84.6 Ų | 84.6 | 12% | 0.124 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -67.1 | -34.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | V77 V83 L84 T85 V86 L88 | V77-A81 VanDerWaalsContact O-CB 3.27Å; V77-A81 WeakPolarHBondContact O-CB 3.44Å; V77-A81 PolarHBondContact O-N 3.22Å; A81-V83 VanDerWaalsContact C-N 3.27Å; A81-V83 PolarHBondContact O-N 3.3Å; A81-L84 CarbonylContact O-C 3.49Å; A81-L84 WeakPolarHBondContact O-CA 3.4Å; A81-L84 PolarHBondContact O-N 3.14Å; A81-T85 PolarHBondContact O-N 2.76Å; A81-V86 CarbonylContact C-O 3.41Å; A81-V86 HydrophobicContact CB-CB 4.41Å; A81-V86 PolarHBondContact O-N 3Å; A81-L88 HydrophobicContact CB-CD1 3.62Å; A81-L88 HydrophobicContact CB-CG 3.84Å |
| 82 | A | 26.7 | Very low | 32.4 | Very low | 62 Ų | 62 | 87.9 Ų | 87.9 | 51% | 0.512 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.5 | -30.6 | 172 | 0 | 0 | 0 | 0 | 0 | 112.6 | V78 V79 T80 L84 T85 | V78-A82 VanDerWaalsContact O-CB 3.3Å; V78-A82 WeakPolarHBondContact O-CB 3.37Å; V78-A82 PolarHBondContact O-N 3.05Å; V79-A82 WeakPolarHBondContact O-CB 3Å; V79-A82 PolarHBondContact O-N 3.49Å; T80-A82 VanDerWaalsContact C-N 3.33Å; A82-L84 VanDerWaalsContact C-N 3.28Å; A82-T85 PolarHBondContact O-N 3.35Å |
| 83 | V | 28.9 | Very low | 32.2 | Very low | 120 Ų | 120 | 89 Ų | 89 | 73% | 0.727 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.2 | -29.9 | 171.4 | 176.7 | 0 | 0 | 0 | 0 | 111.6 | V79 T80 A81 T85 | V79-V83 WeakPolarHBondContact O-CG2 3.44Å; V79-V83 PolarHBondContact O-N 2.67Å; T80-V83 WeakPolarHBondContact O-CB 3.12Å; T80-V83 PolarHBondContact O-N 2.93Å; A81-V83 VanDerWaalsContact C-N 3.27Å; A81-V83 PolarHBondContact O-N 3.3Å; V83-T85 VanDerWaalsContact C-N 3.29Å; V83-T85 PolarHBondContact O-N 3.27Å |
| 84 | L | 27.5 | Very low | 31.8 | Very low | 124 Ų | 124 | 91.6 Ų | 91.6 | 65% | 0.649 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | 12.9 | 175.6 | -73.8 | 163.5 | 0 | 0 | 0 | 113.7 | T80 A81 A82 V86 | T80-L84 PolarHBondContact O-N 3.45Å; A81-L84 CarbonylContact O-C 3.49Å; A81-L84 WeakPolarHBondContact O-CA 3.4Å; A81-L84 PolarHBondContact O-N 3.14Å; A82-L84 VanDerWaalsContact C-N 3.28Å; L84-V86 HydrophobicContact CB-CG2 4.21Å; L84-V86 PolarHBondContact O-N 3.07Å |
| 85 | T | 28.3 | Very low | 31.8 | Very low | 140 Ų | 140 | 95.1 Ų | 95.1 | 86% | 0.859 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 57.5 | 12.3 | -172.6 | 49.3 | 0 | 0 | 0 | 0 | 115 | A81 A82 V83 G87 | A81-T85 PolarHBondContact O-N 2.76Å; A82-T85 PolarHBondContact O-N 3.35Å; V83-T85 VanDerWaalsContact C-N 3.29Å; V83-T85 PolarHBondContact O-N 3.27Å; T85-G87 PolarHBondContact O-N 3.29Å |
| 86 | V | 34.8 | Very low | 31.9 | Very low | 76 Ų | 76 | 95.8 Ų | 95.8 | 46% | 0.461 | 56% | 0.557 | S | S | . | * | | | trans | -89 | 90.6 | 175.3 | -174.1 | 0 | 0 | 0 | 0 | 108.3 | A81 L84 L88 | A81-V86 CarbonylContact C-O 3.41Å; A81-V86 HydrophobicContact CB-CB 4.41Å; A81-V86 PolarHBondContact O-N 3Å; L84-V86 HydrophobicContact CB-CG2 4.21Å; L84-V86 PolarHBondContact O-N 3.07Å; V86-L88 HydrophobicContact CG1-CD2 4.42Å; V86-L88 PolarHBondContact O-N 3.07Å |
| 87 | G | 28.7 | Very low | 31.7 | Very low | 28 Ų | 28 | 99.8 Ų | 99.8 | 29% | 0.289 | 57% | 0.57 | S | S | . | * | | | trans | -64.1 | 104.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | T85 N89 R93 | T85-G87 PolarHBondContact O-N 3.29Å; G87-N89 PolarHBondContact O-N 2.97Å; G87-R93 WeakPolarHBondContact O-CG 3.33Å; G87-R93 PolarHBondContact O-NE 3.19Å |
| 88 | L | 34 | Very low | 31.6 | Very low | 72 Ų | 72 | 101.7 Ų | 101.7 | 38% | 0.377 | 58% | 0.581 | S | S | . | * | | | trans | -78 | -6 | 175 | -70.3 | -178.7 | 0 | 0 | 0 | 113.6 | V77 V78 A81 V86 P90 | V77-L88 HydrophobicContact CG1-CD1 4.38Å; V78-L88 HydrophobicContact CG2-CB 4.15Å; V78-L88 HydrophobicContact CG2-CD1 3.94Å; A81-L88 HydrophobicContact CB-CD1 3.62Å; A81-L88 HydrophobicContact CB-CG 3.84Å; V86-L88 HydrophobicContact CG1-CD2 4.42Å; V86-L88 PolarHBondContact O-N 3.07Å; L88-P90 WeakPolarHBondContact O-CD 3.34Å |
| 89 | N | 34.4 | Very low | 31.4 | Very low | 68 Ų | 68 | 101 Ų | 101 | 36% | 0.364 | 58% | 0.578 | S | S | . | * | | | trans | -87 | 111.4 | 171.7 | -172.4 | -9.8 | 0 | 0 | 0 | 110 | G87 E91 K92 R93 | G87-N89 PolarHBondContact O-N 2.97Å; N89-E91 PolarHBondContact O-N 2.76Å; N89-E91 PolarHBondContact OD1-N 3.23Å; N89-E91 VanDerWaalsContact OD1-N 3.17Å; N89-K92 HydrophobicContact CB-CB 4.38Å; N89-K92 CarbonylContact O-C 3.55Å; N89-K92 PolarHBondContact O-N 3.1Å; N89-R93 PolarHBondContact O-N 3.39Å; N89-R93 VanDerWaalsContact O-N 3.09Å |
| 90 | P | 35.2 | Very low | 31.7 | Very low | 103 Ų | 103 | 105.9 Ų | 105.9 | 67% | 0.669 | 59% | 0.591 | S | S | * | * | G | 310 helix | trans | -60 | -28.1 | -178.1 | 23.5 | -32.4 | 0 | 0 | 0 | 112.8 | L88 K92 | L88-P90 WeakPolarHBondContact O-CD 3.34Å; P90-K92 PolarHBondContact O-N 2.94Å |
| 91 | E | 36.5 | Very low | 31.7 | Very low | 175 Ų | 175 | 108.8 Ų | 108.8 | 82% | 0.818 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -73.7 | -11.7 | 177.1 | -61.4 | -174.4 | 162.8 | 0 | 0 | 113.7 | N89 | N89-E91 PolarHBondContact O-N 2.76Å; N89-E91 PolarHBondContact OD1-N 3.23Å; N89-E91 VanDerWaalsContact OD1-N 3.17Å |
| 92 | K | 33.2 | Very low | 31.6 | Very low | 167 Ų | 167 | 112.6 Ų | 112.6 | 73% | 0.726 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -123.8 | 6.4 | 179.6 | -63.2 | -173 | 179 | -177.4 | 0 | 113.1 | N89 P90 | N89-K92 HydrophobicContact CB-CB 4.38Å; N89-K92 CarbonylContact O-C 3.55Å; N89-K92 PolarHBondContact O-N 3.1Å; P90-K92 PolarHBondContact O-N 2.94Å |
| 93 | R | 30.6 | Very low | 31.7 | Very low | 136 Ų | 136 | 112.5 Ų | 112.5 | 51% | 0.513 | 64% | 0.643 | S | S | . | * | S | Bend | trans | -65.9 | 133.5 | 169.3 | -79 | -173.2 | -173.1 | -153 | 6.9 | 107.5 | G87 N89 V95 | G87-R93 WeakPolarHBondContact O-CG 3.33Å; G87-R93 PolarHBondContact O-NE 3.19Å; N89-R93 PolarHBondContact O-N 3.39Å; N89-R93 VanDerWaalsContact O-N 3.09Å; R93-V95 VanDerWaalsContact C-N 3.3Å; R93-V95 PolarHBondContact O-N 3.02Å |
| 94 | P | 31.2 | Very low | 31.7 | Very low | 117 Ų | 117 | 114.6 Ų | 114.6 | 76% | 0.76 | 65% | 0.651 | S | S | * | * | | | trans | -58.5 | 107.4 | 157.8 | 25.3 | -28.2 | 0 | 0 | 0 | 105.1 | A96 | P94-A96 VanDerWaalsContact C-N 3.29Å; P94-A96 PolarHBondContact O-N 2.88Å |
| 95 | V | 34 | Very low | 31.7 | Very low | 123 Ų | 123 | 113.6 Ų | 113.6 | 75% | 0.745 | 65% | 0.65 | S | S | * | * | | | trans | -54.2 | 110.4 | 158.1 | 179.6 | 0 | 0 | 0 | 0 | 102.5 | R93 E97 | R93-V95 VanDerWaalsContact C-N 3.3Å; R93-V95 PolarHBondContact O-N 3.02Å; V95-E97 PolarHBondContact O-N 3.22Å |
| 96 | A | 35.7 | Very low | 31.7 | Very low | 67 Ų | 67 | 113.7 Ų | 113.7 | 55% | 0.554 | 65% | 0.65 | S | S | * | * | | | trans | -58.1 | 101.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 104 | P94 V98 A107 | P94-A96 VanDerWaalsContact C-N 3.29Å; P94-A96 PolarHBondContact O-N 2.88Å; A96-V98 VanDerWaalsContact C-N 3.35Å; A96-V98 PolarHBondContact O-N 2.9Å; A96-A107 HydrophobicContact CB-CB 4.4Å |
| 97 | E | 28.7 | Very low | 31.4 | Very low | 172 Ų | 172 | 113.4 Ų | 113.4 | 80% | 0.804 | 66% | 0.655 | S | S | * | * | | | trans | -53.8 | 110.8 | 167.2 | -73.2 | -174.3 | 157.6 | 0 | 0 | 104.3 | V95 P99 | V95-E97 PolarHBondContact O-N 3.22Å; E97-P99 WeakPolarHBondContact O-CD 3.45Å |
| 98 | V | 34.5 | Very low | 31.4 | Very low | 122 Ų | 122 | 116.1 Ų | 116.1 | 74% | 0.739 | 68% | 0.675 | S | S | * | * | | | trans | -53.2 | 114.8 | 165.2 | 178.6 | 0 | 0 | 0 | 0 | 104 | A96 K100 | A96-V98 VanDerWaalsContact C-N 3.35Å; A96-V98 PolarHBondContact O-N 2.9Å; V98-K100 PolarHBondContact O-N 3.15Å |
| 99 | P | 28.8 | Very low | 31.1 | Very low | 56 Ų | 56 | 119.6 Ų | 119.6 | 36% | 0.364 | 70% | 0.699 | S | S | . | * | | | trans | -58.7 | 110.5 | -175.6 | -19.9 | 30.6 | 0 | 0 | 0 | 106.8 | E97 D101 A103 V105 | E97-P99 WeakPolarHBondContact O-CD 3.45Å; P99-D101 PolarHBondContact O-N 3.05Å; P99-D101 VanDerWaalsContact O-N 3.15Å; P99-A103 HydrophobicContact CB-CB 4.4Å; P99-V105 HydrophobicContact CG-CB 4.34Å |
| 100 | K | 35.2 | Very low | 31 | Very low | 200 Ų | 200 | 122.4 Ų | 122.4 | 87% | 0.87 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -66.6 | -11.6 | 179.2 | -80.3 | -176.9 | 176.8 | 172.7 | 0 | 112.1 | V98 | V98-K100 PolarHBondContact O-N 3.15Š|
| 101 | D | 28.5 | Very low | 30.9 | Very low | 142 Ų | 142 | 124.7 Ų | 124.7 | 76% | 0.759 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -140.4 | 109.7 | -178.6 | -66.7 | -53.3 | 0 | 0 | 0 | 110 | P99 A103 | P99-D101 PolarHBondContact O-N 3.05Å; P99-D101 VanDerWaalsContact O-N 3.15Å; D101-A103 PolarHBondContact O-N 3.5Å |
| 102 | G | 28.3 | Very low | 30.9 | Very low | 94 Ų | 94 | 120.3 Ų | 120.3 | 97% | 0.969 | 71% | 0.71 | S | S | * | * | S | Bend | trans | 50.2 | 12.4 | 143.3 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 103 | A | 27.8 | Very low | 31.1 | Very low | 60 Ų | 60 | 118.4 Ų | 118.4 | 50% | 0.496 | 71% | 0.712 | S | S | . | * | | | trans | -107.2 | 117 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | P99 D101 V105 | P99-A103 HydrophobicContact CB-CB 4.4Å; D101-A103 PolarHBondContact O-N 3.5Å; A103-V105 VanDerWaalsContact C-N 3.35Å; A103-V105 PolarHBondContact O-N 2.8Å |
| 104 | D | 30.3 | Very low | 31.4 | Very low | 165 Ų | 165 | 114.4 Ų | 114.4 | 88% | 0.882 | 71% | 0.708 | S | S | * | * | | | trans | -57.5 | 88.3 | 175.5 | -76.3 | -41.1 | 0 | 0 | 0 | 111.7 | | |
| 105 | V | 26.9 | Very low | 31.8 | Very low | 103 Ų | 103 | 110.5 Ų | 110.5 | 62% | 0.624 | 69% | 0.686 | S | S | * | * | | | trans | -128.4 | 97.4 | 164.1 | -173.7 | 0 | 0 | 0 | 0 | 107.5 | P99 A103 A107 | P99-V105 HydrophobicContact CG-CB 4.34Å; A103-V105 VanDerWaalsContact C-N 3.35Å; A103-V105 PolarHBondContact O-N 2.8Å; V105-A107 VanDerWaalsContact C-N 3.26Å; V105-A107 PolarHBondContact O-N 3.36Å |
| 106 | V | 28.1 | Very low | 32.1 | Very low | 142 Ų | 142 | 109.2 Ų | 109.2 | 86% | 0.861 | 68% | 0.682 | S | S | * | * | | | trans | -77.9 | 78.7 | 178.7 | -171.7 | 0 | 0 | 0 | 0 | 109 | | |
| 107 | A | 28.2 | Very low | 32.2 | Very low | 70 Ų | 70 | 110.9 Ų | 110.9 | 58% | 0.579 | 68% | 0.682 | S | S | * | * | | | trans | -86.6 | 103.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | A96 V105 | A96-A107 HydrophobicContact CB-CB 4.4Å; V105-A107 VanDerWaalsContact C-N 3.26Å; V105-A107 PolarHBondContact O-N 3.36Å |
| 108 | A | 28.7 | Very low | 32.6 | Very low | 85 Ų | 85 | 107 Ų | 107 | 70% | 0.702 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 125.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 109 | T | 28.2 | Very low | 32.9 | Very low | 144 Ų | 144 | 105.4 Ų | 105.4 | 88% | 0.883 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 121.2 | 167.6 | 48.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 110 | V | 31.8 | Very low | 33.1 | Very low | 127 Ų | 127 | 104.2 Ų | 104.2 | 77% | 0.77 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 120.3 | 172.2 | -178.7 | 0 | 0 | 0 | 0 | 107.7 | V112 | V110-V112 HydrophobicContact CG1-CG2 3.94Š|
| 111 | D | 34.4 | Very low | 33 | Very low | 152 Ų | 152 | 99.7 Ų | 99.7 | 81% | 0.813 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 133.7 | 167.8 | -166.7 | 8.7 | 0 | 0 | 0 | 108.7 | | |
| 112 | V | 35.4 | Very low | 33.1 | Very low | 82 Ų | 82 | 96.4 Ų | 96.4 | 50% | 0.497 | 64% | 0.636 | S | S | . | * | | | trans | -119.3 | 109.4 | -177.3 | -177.1 | 0 | 0 | 0 | 0 | 107.4 | V110 A114 A115 | V110-V112 HydrophobicContact CG1-CG2 3.94Å; V112-A114 PolarHBondContact O-N 3.37Å; V112-A114 VanDerWaalsContact O-N 3.14Å; V112-A115 HydrophobicContact CB-CB 3.61Å; V112-A115 HydrophobicContact CG1-CB 3.34Å; V112-A115 PolarHBondContact O-N 3.37Å |
| 113 | V | 38 | Very low | 33.2 | Very low | 128 Ų | 128 | 96.3 Ų | 96.3 | 78% | 0.776 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | 118 | -176.9 | -177.2 | 0 | 0 | 0 | 0 | 109.7 | A115 | V113-A115 PolarHBondContact O-N 2.93Å; V113-A115 VanDerWaalsContact O-N 3.1Å |
| 114 | A | 37.8 | Very low | 33.7 | Very low | 51 Ų | 51 | 95.2 Ų | 95.2 | 42% | 0.421 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 49.6 | 35.9 | 179 | 0 | 0 | 0 | 0 | 0 | 114.1 | V112 S116 D117 | V112-A114 PolarHBondContact O-N 3.37Å; V112-A114 VanDerWaalsContact O-N 3.14Å; A114-S116 PolarHBondContact O-N 3.39Å; A114-D117 WeakPolarHBondContact O-CB 3.44Å; A114-D117 PolarHBondContact O-N 2.88Å |
| 115 | A | 39 | Very low | 33.9 | Very low | 36 Ų | 36 | 89.8 Ų | 89.8 | 30% | 0.298 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -52.7 | -31.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V112 V113 D117 T118 V119 | V112-A115 HydrophobicContact CB-CB 3.61Å; V112-A115 HydrophobicContact CG1-CB 3.34Å; V112-A115 PolarHBondContact O-N 3.37Å; V113-A115 PolarHBondContact O-N 2.93Å; V113-A115 VanDerWaalsContact O-N 3.1Å; A115-D117 PolarHBondContact O-N 3.31Å; A115-T118 WeakPolarHBondContact CA-OG1 2.93Å; A115-T118 PolarHBondContact O-N 3.11Å; A115-T118 PolarHBondContact O-OG1 3.38Å; A115-V119 WeakPolarHBondContact O-CG2 3.3Å |
| 116 | S | 40.2 | Very low | 34.3 | Very low | 96 Ų | 96 | 92 Ų | 92 | 67% | 0.671 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -57.6 | -28.8 | 176.1 | 52.6 | 0 | 0 | 0 | 0 | 113.1 | A114 | A114-S116 PolarHBondContact O-N 3.39Å |
| 117 | D | 37.6 | Very low | 34.8 | Very low | 101 Ų | 101 | 92.4 Ų | 92.4 | 54% | 0.54 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -98.8 | -15.2 | -172.2 | -54.8 | -7.8 | 0 | 0 | 0 | 111.4 | A114 A115 | A114-D117 WeakPolarHBondContact O-CB 3.44Å; A114-D117 PolarHBondContact O-N 2.88Å; A115-D117 PolarHBondContact O-N 3.31Å |
| 118 | T | 37.4 | Very low | 35.2 | Very low | 92 Ų | 92 | 91.8 Ų | 91.8 | 56% | 0.564 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -100.6 | -1.2 | -175.9 | 60.4 | 0 | 0 | 0 | 0 | 113.8 | A115 G120 | A115-T118 WeakPolarHBondContact CA-OG1 2.93Å; A115-T118 PolarHBondContact O-N 3.11Å; A115-T118 PolarHBondContact O-OG1 3.38Å; T118-G120 VanDerWaalsContact C-N 3.26Å; T118-G120 PolarHBondContact O-N 3.15Å |
| 119 | V | 40 | Very low | 35.1 | Very low | 87 Ų | 87 | 91.5 Ų | 91.5 | 53% | 0.527 | 56% | 0.555 | S | S | . | * | | | trans | -67.7 | 87.5 | 171 | -171.7 | 0 | 0 | 0 | 0 | 109.2 | A115 | A115-V119 WeakPolarHBondContact O-CG2 3.3Š|
| 120 | G | 33 | Very low | 35.1 | Very low | 32 Ų | 32 | 89.5 Ų | 89.5 | 33% | 0.33 | 55% | 0.545 | S | S | . | . | | | trans | -62.3 | 139.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | T118 A122 L123 N124 | T118-G120 VanDerWaalsContact C-N 3.26Å; T118-G120 PolarHBondContact O-N 3.15Å; G120-A122 PolarHBondContact O-N 3.39Å; G120-L123 WeakPolarHBondContact O-CB 3.41Å; G120-L123 PolarHBondContact O-N 3.03Å; G120-N124 PolarHBondContact O-N 3.37Å |
| 121 | L | 33 | Very low | 35 | Very low | 105 Ų | 105 | 88.9 Ų | 88.9 | 55% | 0.55 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -52.3 | -26.3 | 170.6 | -73 | 162.8 | 0 | 0 | 0 | 112.4 | N124 A125 | L121-N124 PolarHBondContact O-N 3.33Å; L121-A125 PolarHBondContact O-N 2.83Å |
| 122 | A | 30.6 | Very low | 35 | Very low | 72 Ų | 72 | 84.5 Ų | 84.5 | 60% | 0.595 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.9 | -32.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | G120 N126 | G120-A122 PolarHBondContact O-N 3.39Å; A122-N126 PolarHBondContact O-N 3.26Å |
| 123 | L | 30.9 | Very low | 34.7 | Very low | 93 Ų | 93 | 81.4 Ų | 81.4 | 49% | 0.487 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70.5 | -41.3 | 171.5 | -77.5 | 160.9 | 0 | 0 | 0 | 110 | G120 A125 N126 E127 | G120-L123 WeakPolarHBondContact O-CB 3.41Å; G120-L123 PolarHBondContact O-N 3.03Å; L123-A125 VanDerWaalsContact C-N 3.33Å; L123-A125 PolarHBondContact O-N 3.26Å; L123-N126 PolarHBondContact O-N 3.1Å; L123-E127 WeakPolarHBondContact O-CB 3.32Å; L123-E127 PolarHBondContact O-N 3.4Å; L123-E127 VanDerWaalsContact O-N 3.11Å |
| 124 | N | 39.2 | Very low | 34.4 | Very low | 36 Ų | 36 | 79 Ų | 79 | 19% | 0.193 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -61.4 | -39.6 | 176.3 | -105 | -17.2 | 0 | 0 | 0 | 112.8 | G120 L121 N128 V133 | G120-N124 PolarHBondContact O-N 3.37Å; L121-N124 PolarHBondContact O-N 3.33Å; N124-N128 WeakPolarHBondContact O-CB 2.87Å; N124-N128 PolarHBondContact O-N 3.32Å; N124-N128 PolarHBondContact OD1-ND2 3.22Å; N124-V133 WeakPolarHBondContact O-CG2 3.47Å |
| 125 | A | 33.9 | Very low | 34 | Very low | 52 Ų | 52 | 78.2 Ų | 78.2 | 43% | 0.43 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -71.5 | -28.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L121 L123 V133 | L121-A125 PolarHBondContact O-N 2.83Å; L123-A125 VanDerWaalsContact C-N 3.33Å; L123-A125 PolarHBondContact O-N 3.26Å; A125-V133 HydrophobicContact CB-CG1 4.16Å |
| 126 | N | 34.8 | Very low | 33.8 | Very low | 150 Ų | 150 | 78.5 Ų | 78.5 | 80% | 0.802 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -94.7 | -24.9 | -176.9 | -78.9 | -14.4 | 0 | 0 | 0 | 113.6 | A122 L123 | A122-N126 PolarHBondContact O-N 3.26Å; L123-N126 PolarHBondContact O-N 3.1Å |
| 127 | E | 39.4 | Very low | 33.6 | Very low | 149 Ų | 149 | 77.7 Ų | 77.7 | 70% | 0.696 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -103.5 | -14.4 | -175.3 | -63.9 | -174.5 | 167.9 | 0 | 0 | 113.9 | L123 | L123-E127 WeakPolarHBondContact O-CB 3.32Å; L123-E127 PolarHBondContact O-N 3.4Å; L123-E127 VanDerWaalsContact O-N 3.11Å |
| 128 | N | 36.1 | Very low | 33.5 | Very low | 58 Ų | 58 | 81 Ų | 81 | 31% | 0.31 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -109.7 | 145.5 | 178.9 | -73.4 | -50.6 | 0 | 0 | 0 | 112.5 | N124 V132 V133 | N124-N128 WeakPolarHBondContact O-CB 2.87Å; N124-N128 PolarHBondContact O-N 3.32Å; N124-N128 PolarHBondContact OD1-ND2 3.22Å; N128-V132 HydrophobicContact CB-CB 3.98Å; N128-V132 HydrophobicContact CB-CG1 3.87Å; N128-V133 HydrophobicContact CB-CG2 3.97Å |
| 129 | P | 26.6 | Very low | 33.4 | Very low | 78 Ų | 78 | 78 Ų | 78 | 51% | 0.506 | 46% | 0.46 | S | S | . | . | | | trans | -56 | 144 | 171.7 | 15.9 | -22.2 | 0 | 0 | 0 | 109.7 | V131 V132 V133 | P129-V131 PolarHBondContact O-N 3.46Å; P129-V132 HydrophobicContact CG-CB 4.38Å; P129-V132 HydrophobicContact CG-CG2 3.85Å; P129-V132 WeakPolarHBondContact O-CB 3.37Å; P129-V132 PolarHBondContact O-N 3.04Å; P129-V133 PolarHBondContact O-N 3.12Å |
| 130 | P | 29.1 | Very low | 33.1 | Very low | 103 Ų | 103 | 76 Ų | 76 | 67% | 0.669 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -50.4 | -30.9 | -172.1 | -27.6 | 31.7 | 0 | 0 | 0 | 114.4 | V132 V133 T134 | P130-V132 PolarHBondContact O-N 3.1Å; P130-V133 PolarHBondContact O-N 3.22Å; P130-T134 PolarHBondContact O-N 3.14Å; P130-T134 PolarHBondContact O-OG1 2.82Å |
| 131 | V | 29 | Very low | 33 | Very low | 114 Ų | 114 | 77.5 Ų | 77.5 | 69% | 0.691 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -66.4 | -31.9 | 178.4 | -177.5 | 0 | 0 | 0 | 0 | 113 | P129 T134 A135 | P129-V131 PolarHBondContact O-N 3.46Å; V131-T134 WeakPolarHBondContact CA-OG1 3.32Å; V131-T134 PolarHBondContact O-OG1 3.45Å; V131-A135 PolarHBondContact O-N 2.87Å |
| 132 | V | 33.9 | Very low | 33 | Very low | 59 Ų | 59 | 76.4 Ų | 76.4 | 36% | 0.358 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -81 | -34.8 | 176.8 | 173.5 | 0 | 0 | 0 | 0 | 110.3 | N128 P129 P130 A135 V136 | N128-V132 HydrophobicContact CB-CB 3.98Å; N128-V132 HydrophobicContact CB-CG1 3.87Å; P129-V132 HydrophobicContact CG-CB 4.38Å; P129-V132 HydrophobicContact CG-CG2 3.85Å; P129-V132 WeakPolarHBondContact O-CB 3.37Å; P129-V132 PolarHBondContact O-N 3.04Å; P130-V132 PolarHBondContact O-N 3.1Å; V132-A135 PolarHBondContact O-N 2.83Å; V132-V136 VanDerWaalsContact O-CG2 3.32Å; V132-V136 WeakPolarHBondContact O-CG2 3.44Å; V132-V136 PolarHBondContact O-N 2.78Å |
| 133 | V | 29.9 | Very low | 33 | Very low | 18 Ų | 18 | 80.7 Ų | 80.7 | 11% | 0.109 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 174.3 | -171.6 | 0 | 0 | 0 | 0 | 110.7 | N124 A125 N128 P129 P130 A135 V136 D137 | N124-V133 WeakPolarHBondContact O-CG2 3.47Å; A125-V133 HydrophobicContact CB-CG1 4.16Å; N128-V133 HydrophobicContact CB-CG2 3.97Å; P129-V133 PolarHBondContact O-N 3.12Å; P130-V133 PolarHBondContact O-N 3.22Å; V133-A135 VanDerWaalsContact C-N 3.31Å; V133-A135 PolarHBondContact O-N 3.42Å; V133-V136 PolarHBondContact O-N 2.86Å; V133-V136 VanDerWaalsContact O-N 3.15Å; V133-D137 WeakPolarHBondContact O-CB 3.44Å; V133-D137 PolarHBondContact O-N 3.16Å |
| 134 | T | 32 | Very low | 32.7 | Very low | 76 Ų | 76 | 81.7 Ų | 81.7 | 47% | 0.466 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.4 | -35.2 | 175.7 | 46.9 | 0 | 0 | 0 | 0 | 112.8 | P130 V131 V136 E138 | P130-T134 PolarHBondContact O-N 3.14Å; P130-T134 PolarHBondContact O-OG1 2.82Å; V131-T134 WeakPolarHBondContact CA-OG1 3.32Å; V131-T134 PolarHBondContact O-OG1 3.45Å; T134-V136 VanDerWaalsContact C-N 3.32Å; T134-E138 WeakPolarHBondContact O-CB 3.26Å; T134-E138 VanDerWaalsContact O-CG 3.3Å; T134-E138 WeakPolarHBondContact O-CG 3.36Å; T134-E138 PolarHBondContact O-N 3.3Å; T134-E138 VanDerWaalsContact O-N 3.1Å |
| 135 | A | 28.7 | Very low | 32 | Very low | 36 Ų | 36 | 85.1 Ų | 85.1 | 30% | 0.298 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -76.2 | -17.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | I73 V131 V132 V133 V139 | I73-A135 HydrophobicContact CD1-CB 4.49Å; V131-A135 PolarHBondContact O-N 2.87Å; V132-A135 PolarHBondContact O-N 2.83Å; V133-A135 VanDerWaalsContact C-N 3.31Å; V133-A135 PolarHBondContact O-N 3.42Å; A135-V139 WeakPolarHBondContact O-CG2 3.4Å |
| 136 | V | 34.3 | Very low | 31.5 | Very low | 41 Ų | 41 | 90.7 Ų | 90.7 | 25% | 0.248 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -90.7 | -36.9 | 173.1 | 174.6 | 0 | 0 | 0 | 0 | 110.5 | V132 V133 T134 E138 V139 G140 | V132-V136 VanDerWaalsContact O-CG2 3.32Å; V132-V136 WeakPolarHBondContact O-CG2 3.44Å; V132-V136 PolarHBondContact O-N 2.78Å; V133-V136 PolarHBondContact O-N 2.86Å; V133-V136 VanDerWaalsContact O-N 3.15Å; T134-V136 VanDerWaalsContact C-N 3.32Å; V136-E138 PolarHBondContact O-N 3.42Å; V136-V139 PolarHBondContact O-N 3.41Å; V136-G140 PolarHBondContact O-N 3.5Å |
| 137 | D | 36.8 | Very low | 31 | Very low | 80 Ų | 80 | 88.8 Ų | 88.8 | 43% | 0.428 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.6 | -30.6 | 176 | -83.8 | -16.3 | 0 | 0 | 0 | 113.4 | V133 V139 | V133-D137 WeakPolarHBondContact O-CB 3.44Å; V133-D137 PolarHBondContact O-N 3.16Å; D137-V139 PolarHBondContact O-N 3.41Å |
| 138 | E | 35.2 | Very low | 30.2 | Very low | 169 Ų | 169 | 89.8 Ų | 89.8 | 79% | 0.79 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -10.4 | 175.9 | -77.3 | -178.7 | 175.3 | 0 | 0 | 113.7 | T134 V136 | T134-E138 WeakPolarHBondContact O-CB 3.26Å; T134-E138 VanDerWaalsContact O-CG 3.3Å; T134-E138 WeakPolarHBondContact O-CG 3.36Å; T134-E138 PolarHBondContact O-N 3.3Å; T134-E138 VanDerWaalsContact O-N 3.1Å; V136-E138 PolarHBondContact O-N 3.42Å |
| 139 | V | 35.7 | Very low | 29.6 | Very low | 31 Ų | 31 | 92.9 Ų | 92.9 | 19% | 0.188 | 54% | 0.543 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.4 | -27.1 | -164.6 | -171.6 | 0 | 0 | 0 | 0 | 111.7 | G68 V70 I73 A135 V136 D137 | G68-V139 WeakPolarHBondContact O-CG1 3.36Å; V70-V139 HydrophobicContact CB-CG1 4.19Å; V70-V139 HydrophobicContact CB-CG2 4.24Å; V70-V139 HydrophobicContact CG2-CB 4.14Å; V70-V139 HydrophobicContact CG2-CG1 3.68Å; V70-V139 HydrophobicContact CG2-CG2 3.23Å; I73-V139 HydrophobicContact CD1-CG2 4.41Å; A135-V139 WeakPolarHBondContact O-CG2 3.4Å; V136-V139 PolarHBondContact O-N 3.41Å; D137-V139 PolarHBondContact O-N 3.41Å |
| 140 | G | 32.6 | Very low | 29.3 | Very low | 44 Ų | 44 | 93.3 Ų | 93.3 | 45% | 0.454 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -65.2 | 156.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V136 | V136-G140 PolarHBondContact O-N 3.5Š|
| 141 | A | 30.9 | Very low | 29 | Very low | 63 Ų | 63 | 94 Ų | 94 | 52% | 0.521 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -53.3 | 141.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | L47 K143 | L47-A141 HydrophobicContact CD1-CB 4.5Å; L47-A141 HydrophobicContact CD2-CB 3.76Å; A141-K143 PolarHBondContact O-N 2.83Å |
| 142 | P | 33.9 | Very low | 28.7 | Very low | 83 Ų | 83 | 97.1 Ų | 97.1 | 54% | 0.539 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -52.4 | 136.4 | -179.1 | 19.5 | -31.8 | 0 | 0 | 0 | 111 | L47 | L47-P142 HydrophobicContact CD1-CG 4.11Š|
| 143 | K | 29.3 | Very low | 28.2 | Very low | 162 Ų | 162 | 99.3 Ų | 99.3 | 70% | 0.704 | 59% | 0.585 | S | S | * | * | | | trans | -43.9 | 135.1 | 175.9 | -70.4 | 177.6 | 179.2 | 174.6 | 0 | 109.7 | A141 A145 | A141-K143 PolarHBondContact O-N 2.83Å; K143-A145 PolarHBondContact O-N 2.83Å |
| 144 | P | 24.4 | Very low | 27.8 | Very low | 113 Ų | 113 | 105.9 Ų | 105.9 | 73% | 0.734 | 62% | 0.619 | S | S | * | * | | | trans | -52.2 | 122.5 | 165.6 | -19 | 29.1 | 0 | 0 | 0 | 107.9 | K146 | P144-K146 PolarHBondContact O-N 2.97Š|
| 145 | A | 25.2 | Very low | 27.4 | Very low | 108 Ų | 108 | 108.7 Ų | 108.7 | 89% | 0.893 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -71.3 | 36.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | K143 | K143-A145 PolarHBondContact O-N 2.83Š|
| 146 | K | 24 | Very low | 27.1 | Very low | 169 Ų | 169 | 113 Ų | 113 | 74% | 0.735 | 65% | 0.652 | S | S | * | * | | | trans | -145.6 | 88.4 | 170.3 | -76.1 | -172.5 | 176.9 | 178.1 | 0 | 108.9 | P144 F148 | P144-K146 PolarHBondContact O-N 2.97Å; K146-F148 PolarHBondContact O-N 2.76Å |
| 147 | T | 23.9 | Very low | 26.7 | Very low | 111 Ų | 111 | 118.7 Ų | 118.7 | 68% | 0.681 | 68% | 0.681 | S | S | * | * | | | trans | -68.1 | 111.1 | 155.8 | 43.2 | 0 | 0 | 0 | 0 | 106.8 | D149 | T147-D149 PolarHBondContact O-N 2.98Š|
| 148 | F | 21.9 | Very low | 26.1 | Very low | 169 Ų | 169 | 123.3 Ų | 123.3 | 74% | 0.741 | 69% | 0.693 | S | S | * | * | | | trans | -76.1 | 78 | 164 | -94.9 | -90 | 0 | 0 | 0 | 107.3 | K146 G150 | K146-F148 PolarHBondContact O-N 2.76Å; F148-G150 PolarHBondContact O-N 2.99Å |
| 149 | D | 23.5 | Very low | 25.5 | Very low | 123 Ų | 123 | 124.6 Ų | 124.6 | 66% | 0.658 | 70% | 0.696 | S | S | * | * | | | trans | -67.3 | 115.3 | 160.9 | -72.4 | -43.5 | 0 | 0 | 0 | 107.5 | T147 V151 | T147-D149 PolarHBondContact O-N 2.98Å; D149-V151 VanDerWaalsContact C-N 3.28Å; D149-V151 WeakPolarHBondContact O-CG2 3.34Å; D149-V151 PolarHBondContact O-N 3.46Å |
| 150 | G | 21.9 | Very low | 24.9 | Very low | 88 Ų | 88 | 127 Ų | 127 | 91% | 0.907 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 5.2 | 46.7 | 157.5 | 0 | 0 | 0 | 0 | 0 | 122.3 | F148 | F148-G150 PolarHBondContact O-N 2.99Š|
| 151 | V | 23 | Very low | 24.4 | Very low | 117 Ų | 117 | 129.2 Ų | 129.2 | 71% | 0.709 | 72% | 0.718 | S | S | * | * | | | trans | -117.7 | 125.7 | 177.2 | -176.7 | 0 | 0 | 0 | 0 | 111.1 | D149 V153 | D149-V151 VanDerWaalsContact C-N 3.28Å; D149-V151 WeakPolarHBondContact O-CG2 3.34Å; D149-V151 PolarHBondContact O-N 3.46Å; V151-V153 PolarHBondContact O-N 2.99Å |
| 152 | E | 21.6 | Very low | 24.1 | Very low | 179 Ų | 179 | 132.3 Ų | 132.3 | 84% | 0.836 | 73% | 0.733 | S | S | * | * | | | trans | -44.3 | 117.8 | 172.1 | -68.5 | 176 | 133.6 | 0 | 0 | 112.2 | | |
| 153 | V | 23.4 | Very low | 23.5 | Very low | 105 Ų | 105 | 134.1 Ų | 134.1 | 64% | 0.636 | 74% | 0.737 | S | S | * | * | | | trans | -104.2 | 101.3 | 166.9 | -175.8 | 0 | 0 | 0 | 0 | 109 | V151 E155 | V151-V153 PolarHBondContact O-N 2.99Å; V153-E155 HydrophobicContact CG1-CB 4.17Å; V153-E155 HydrophobicContact CG1-CG 4.01Å; V153-E155 PolarHBondContact O-N 3.18Å; V153-E155 VanDerWaalsContact O-N 3.09Å |
| 154 | N | 22.2 | Very low | 23.2 | Very low | 156 Ų | 156 | 134.6 Ų | 134.6 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | | | trans | -78.1 | 53.2 | 177.5 | -117.2 | -25.8 | 0 | 0 | 0 | 111.7 | | |
| 155 | E | 23.8 | Very low | 23 | Very low | 136 Ų | 136 | 137.3 Ų | 137.3 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | | | trans | -110.4 | 113 | 175.9 | -74.6 | -165.1 | 173.4 | 0 | 0 | 112 | V153 N157 | V153-E155 HydrophobicContact CG1-CB 4.17Å; V153-E155 HydrophobicContact CG1-CG 4.01Å; V153-E155 PolarHBondContact O-N 3.18Å; V153-E155 VanDerWaalsContact O-N 3.09Å; E155-N157 PolarHBondContact O-N 2.87Å |
| 156 | P | 22.4 | Very low | 22.8 | Very low | 126 Ų | 126 | 138.3 Ų | 138.3 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -2.4 | -169.2 | -20.7 | 30.9 | 0 | 0 | 0 | 117 | | |
| 157 | N | 26.1 | Very low | 22.8 | Very low | 160 Ų | 160 | 135.5 Ų | 135.5 | 86% | 0.856 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.3 | 13 | -165.9 | -76.4 | -34.9 | 0 | 0 | 0 | 115.4 | E155 | E155-N157 PolarHBondContact O-N 2.87Š|
| 158 | W | 22.9 | Very low | 22.7 | Very low | 178 Ų | 178 | 134.5 Ų | 134.5 | 67% | 0.674 | 73% | 0.733 | S | S | * | * | | | trans | -89.5 | 117.4 | 176.9 | -158.9 | 73.4 | 0 | 0 | 0 | 111.6 | P160 | W158-P160 HydrophobicContact CE3-CB 4.23Å; W158-P160 HydrophobicContact CE3-CG 4.43Å; W158-P160 HydrophobicContact CH2-CB 3.96Å; W158-P160 HydrophobicContact CZ3-CB 3.6Å; W158-P160 HydrophobicContact CZ3-CG 4.15Å |
| 159 | K | 22.7 | Very low | 22.7 | Very low | 196 Ų | 196 | 130.9 Ų | 130.9 | 85% | 0.852 | 73% | 0.725 | S | S | * | * | | | trans | -101.3 | 112.8 | 168.9 | -77.9 | -177.4 | 179.4 | 176.6 | 0 | 109 | | |
| 160 | P | 22.8 | Very low | 22.6 | Very low | 82 Ų | 82 | 130.8 Ų | 130.8 | 53% | 0.532 | 73% | 0.729 | S | S | . | * | | | trans | -64.4 | 153.4 | 171.1 | 21.2 | -27.4 | 0 | 0 | 0 | 111.6 | W158 | W158-P160 HydrophobicContact CE3-CB 4.23Å; W158-P160 HydrophobicContact CE3-CG 4.43Å; W158-P160 HydrophobicContact CH2-CB 3.96Å; W158-P160 HydrophobicContact CZ3-CB 3.6Å; W158-P160 HydrophobicContact CZ3-CG 4.15Å |
| 161 | P | 22.3 | Very low | 22.7 | Very low | 90 Ų | 90 | 132.4 Ų | 132.4 | 58% | 0.584 | 72% | 0.715 | S | S | * | * | | | trans | -57.7 | 146.6 | 170.7 | -14.8 | 27.5 | 0 | 0 | 0 | 110.2 | L163 | P161-L163 VanDerWaalsContact C-N 3.34Å; P161-L163 PolarHBondContact O-N 3.5Å |
| 162 | P | 24.4 | Very low | 22.6 | Very low | 127 Ų | 127 | 132.8 Ų | 132.8 | 83% | 0.825 | 72% | 0.718 | S | S | * | * | | | trans | -69 | 94.3 | 175 | 29.7 | -30.8 | 0 | 0 | 0 | 108.4 | L164 | P162-L164 PolarHBondContact O-N 3.01Š|
| 163 | L | 22.7 | Very low | 22.5 | Very low | 122 Ų | 122 | 127 Ų | 127 | 64% | 0.639 | 71% | 0.706 | S | S | * | * | | | trans | -83.9 | 103.7 | 166.2 | -72.2 | 162.9 | 0 | 0 | 0 | 107 | P161 F165 | P161-L163 VanDerWaalsContact C-N 3.34Å; P161-L163 PolarHBondContact O-N 3.5Å; L163-F165 HydrophobicContact CB-CD2 3.66Å; L163-F165 HydrophobicContact CB-CE2 3.25Å; L163-F165 HydrophobicContact CB-CZ 3.94Å; L163-F165 HydrophobicContact CD1-CE2 3.73Å; L163-F165 HydrophobicContact CD1-CZ 4Å; L163-F165 HydrophobicContact CD2-CZ 4.5Å; L163-F165 HydrophobicContact CG-CE2 4.02Å; L163-F165 HydrophobicContact CG-CZ 4.37Å; L163-F165 WeakPolarHBondContact O-CD2 3.25Å; L163-F165 PolarHBondContact O-N 2.87Å; L163-F165 VanDerWaalsContact O-N 3.11Å |
| 164 | L | 21.6 | Very low | 22.4 | Very low | 171 Ų | 171 | 126.5 Ų | 126.5 | 90% | 0.895 | 71% | 0.713 | S | S | * | * | | | trans | -65.7 | 102.8 | 170.1 | -74.1 | 157.3 | 0 | 0 | 0 | 107.8 | P162 | P162-L164 PolarHBondContact O-N 3.01Š|
| 165 | F | 21 | Very low | 22.4 | Very low | 170 Ų | 170 | 124.6 Ų | 124.6 | 75% | 0.746 | 71% | 0.709 | S | S | * | * | | | trans | -111.5 | 96.6 | 173.9 | -72.4 | -72.8 | 0 | 0 | 0 | 108.9 | L163 | L163-F165 HydrophobicContact CB-CD2 3.66Å; L163-F165 HydrophobicContact CB-CE2 3.25Å; L163-F165 HydrophobicContact CB-CZ 3.94Å; L163-F165 HydrophobicContact CD1-CE2 3.73Å; L163-F165 HydrophobicContact CD1-CZ 4Å; L163-F165 HydrophobicContact CD2-CZ 4.5Å; L163-F165 HydrophobicContact CG-CE2 4.02Å; L163-F165 HydrophobicContact CG-CZ 4.37Å; L163-F165 WeakPolarHBondContact O-CD2 3.25Å; L163-F165 PolarHBondContact O-N 2.87Å; L163-F165 VanDerWaalsContact O-N 3.11Å |
| 166 | E | 21.7 | Very low | 22.3 | Very low | 130 Ų | 130 | 127.5 Ų | 127.5 | 61% | 0.607 | 72% | 0.719 | S | S | * | * | | | trans | -137 | 109.9 | 164.9 | -59.6 | -170.4 | 162.6 | 0 | 0 | 105.2 | | |
| 167 | T | 24 | Very low | 22.2 | Very low | 110 Ų | 110 | 129.8 Ų | 129.8 | 68% | 0.675 | 72% | 0.721 | S | S | * | * | | | | 167.1 | 151.9 | 85.4 | 34.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 168 | A | 21.4 | Very low | 22.1 | Very low | 89 Ų | 89 | 127.9 Ų | 127.9 | 74% | 0.736 | 72% | 0.715 | S | S | * | * | | | trans | -114.4 | 133.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 169 | V | 22.1 | Very low | 22 | Very low | 93 Ų | 93 | 126.4 Ų | 126.4 | 56% | 0.564 | 72% | 0.72 | S | S | * | * | | | trans | -133.6 | 127.4 | 179.2 | 178.8 | 0 | 0 | 0 | 0 | 109.5 | I171 | V169-I171 HydrophobicContact CG1-CD1 4.08Å; V169-I171 HydrophobicContact CG1-CG1 3.91Å |
| 170 | V | 21.2 | Very low | 22 | Very low | 122 Ų | 122 | 123.2 Ų | 123.2 | 74% | 0.739 | 72% | 0.717 | S | S | * | * | | | trans | -133.7 | 125.7 | 167.7 | 179.3 | 0 | 0 | 0 | 0 | 107.1 | | |
| 171 | I | 23.1 | Very low | 21.9 | Very low | 121 Ų | 121 | 124.8 Ų | 124.8 | 62% | 0.621 | 73% | 0.725 | S | S | * | * | | | trans | -126.1 | 129.8 | -179.9 | -58.3 | 173.5 | 0 | 0 | 0 | 109.3 | V169 | V169-I171 HydrophobicContact CG1-CD1 4.08Å; V169-I171 HydrophobicContact CG1-CG1 3.91Å |
| 172 | V | 20.5 | Very low | 22 | Very low | 126 Ų | 126 | 127.5 Ų | 127.5 | 76% | 0.764 | 74% | 0.735 | S | S | * | * | | | trans | -145.8 | 117.9 | 159.1 | -165.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 173 | G | 20.5 | Very low | 21.9 | Very low | 57 Ų | 57 | 129.6 Ų | 129.6 | 59% | 0.588 | 73% | 0.733 | S | S | * | * | | | trans | 113.3 | 117.7 | 161.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 174 | A | 20.7 | Very low | 22 | Very low | 95 Ų | 95 | 128.6 Ų | 128.6 | 79% | 0.785 | 73% | 0.728 | S | S | * | * | | | trans | -70 | -175.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 175 | P | 22.3 | Very low | 22.1 | Very low | 115 Ų | 115 | 124.4 Ų | 124.4 | 75% | 0.747 | 72% | 0.718 | S | S | * | * | | | cis | -124.7 | 150.1 | -43.7 | 33.4 | -17.6 | 0 | 0 | 0 | 113.1 | | |
| 176 | K | 21.2 | Very low | 22.2 | Very low | 197 Ų | 197 | 119.1 Ų | 119.1 | 86% | 0.857 | 71% | 0.706 | S | S | * | * | | | trans | 147.8 | 139 | 141.5 | -85.8 | -179.1 | 177.6 | -178.5 | 0 | 113.2 | | |
| 177 | M | 21.9 | Very low | 22.4 | Very low | 174 Ų | 174 | 116.6 Ų | 116.6 | 86% | 0.857 | 71% | 0.707 | S | S | * | * | | | trans | 82.1 | 101.9 | 165.8 | -57.1 | -161.2 | -78.5 | 0 | 0 | 116 | | |
| 178 | V | 22.2 | Very low | 22.4 | Very low | 121 Ų | 121 | 115.7 Ų | 115.7 | 73% | 0.733 | 70% | 0.702 | S | S | * | * | | | | 91.2 | 110.8 | 63 | 180 | 0 | 0 | 0 | 0 | 110.6 | | |
| 179 | D | 22.4 | Very low | 22.6 | Very low | 146 Ų | 146 | 113.8 Ų | 113.8 | 78% | 0.781 | 68% | 0.68 | S | S | * | * | | | trans | 54.3 | 152.9 | 155.6 | -64.6 | -30.6 | 0 | 0 | 0 | 121.8 | | |
| 180 | V | 22.6 | Very low | 22.7 | Very low | 130 Ų | 130 | 114.5 Ų | 114.5 | 79% | 0.788 | 68% | 0.681 | S | S | * | * | | | trans | 89.1 | 93 | 168.2 | -161.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 181 | V | 20.8 | Very low | 22.8 | Very low | 115 Ų | 115 | 112.8 Ų | 112.8 | 70% | 0.697 | 69% | 0.688 | S | S | * | * | | | | 57.5 | 118.3 | 77.1 | -175.9 | 0 | 0 | 0 | 0 | 113.5 | | |
| 182 | D | 22.9 | Very low | 22.9 | Very low | 147 Ų | 147 | 109.1 Ų | 109.1 | 79% | 0.786 | 68% | 0.676 | S | S | * | * | S | Bend | trans | 74 | 119.3 | 162.2 | -61.3 | -22.4 | 0 | 0 | 0 | 119.6 | | |
| 183 | E | 24 | Very low | 23.1 | Very low | 171 Ų | 171 | 111 Ų | 111 | 80% | 0.799 | 68% | 0.676 | S | S | * | * | | | trans | 64.6 | 136.9 | 164.6 | -62 | 178.9 | 163.9 | 0 | 0 | 116.1 | | |
| 184 | L | 23.1 | Very low | 23.3 | Very low | 100 Ų | 100 | 113.2 Ų | 113.2 | 52% | 0.524 | 68% | 0.678 | S | S | . | * | | | trans | 95.1 | 117.5 | 165.5 | -127.3 | 77.3 | 0 | 0 | 0 | 119.5 | A186 P199 | L184-A186 PolarHBondContact O-N 3.47Å; L184-P199 HydrophobicContact CD1-CG 4.08Å |
| 185 | A | 23.7 | Very low | 23.5 | Very low | 83 Ų | 83 | 113.1 Ų | 113.1 | 69% | 0.686 | 67% | 0.667 | S | S | * | * | | | trans | -8.8 | 109.4 | 158.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | A187 | A185-A187 PolarHBondContact O-N 3.48Š|
| 186 | A | 24.5 | Very low | 23.6 | Very low | 59 Ų | 59 | 111.5 Ų | 111.5 | 49% | 0.488 | 66% | 0.664 | S | S | . | * | | | trans | -87.9 | 105.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L184 | L184-A186 PolarHBondContact O-N 3.47Š|
| 187 | A | 24.8 | Very low | 23.8 | Very low | 78 Ų | 78 | 108.3 Ų | 108.3 | 65% | 0.645 | 66% | 0.661 | S | S | * | * | | | trans | -95.2 | 107.8 | 156.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | A185 | A185-A187 PolarHBondContact O-N 3.48Š|
| 188 | V | 24.6 | Very low | 23.9 | Very low | 91 Ų | 91 | 103.8 Ų | 103.8 | 55% | 0.552 | 65% | 0.651 | S | S | * | * | | | trans | -99.6 | 104.8 | 175.2 | -179.1 | 0 | 0 | 0 | 0 | 108 | | |
| 189 | V | 24.9 | Very low | 24.2 | Very low | 48 Ų | 48 | 102.7 Ų | 102.7 | 29% | 0.291 | 65% | 0.646 | S | S | . | * | | | trans | -116.5 | 129.7 | 171.3 | -178.3 | 0 | 0 | 0 | 0 | 107.5 | G191 L222 | V189-G191 PolarHBondContact O-N 3.43Å; V189-L222 HydrophobicContact CG2-CD1 4.37Å |
| 190 | N | 24.4 | Very low | 24.3 | Very low | 109 Ų | 109 | 100.4 Ų | 100.4 | 58% | 0.583 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -29.7 | 114.9 | 176.9 | -98.5 | -37.6 | 0 | 0 | 0 | 114.5 | A192 | N190-A192 VanDerWaalsContact C-N 3.32Å; N190-A192 PolarHBondContact O-N 2.79Å |
| 191 | G | 24.5 | Very low | 24.4 | Very low | 85 Ų | 85 | 100.4 Ų | 100.4 | 88% | 0.876 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66.4 | 10.7 | 148.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | V189 | V189-G191 PolarHBondContact O-N 3.43Š|
| 192 | A | 24.4 | Very low | 24.7 | Very low | 44 Ų | 44 | 104 Ų | 104 | 36% | 0.364 | 65% | 0.647 | S | S | . | * | S | Bend | trans | -138.3 | 140.1 | 161 | 0 | 0 | 0 | 0 | 0 | 112.5 | N190 V194 W275 | N190-A192 VanDerWaalsContact C-N 3.32Å; N190-A192 PolarHBondContact O-N 2.79Å; A192-V194 PolarHBondContact O-N 3.15Å; A192-W275 HydrophobicContact CB-CH2 3.03Å; A192-W275 HydrophobicContact CB-CZ2 3.71Å; A192-W275 HydrophobicContact CB-CZ3 3.72Å |
| 193 | E | 23.8 | Very low | 24.8 | Very low | 165 Ų | 165 | 101.6 Ų | 101.6 | 77% | 0.771 | 63% | 0.633 | S | S | * | * | | | trans | -47.3 | 117.5 | 170.1 | -73.6 | 179.1 | 128.4 | 0 | 0 | 111 | | |
| 194 | V | 26.6 | Very low | 25 | Very low | 105 Ų | 105 | 102.8 Ų | 102.8 | 64% | 0.636 | 64% | 0.636 | S | S | * | * | | | trans | -98.6 | 106.1 | 161.6 | -178.3 | 0 | 0 | 0 | 0 | 107.2 | A192 A196 | A192-V194 PolarHBondContact O-N 3.15Å; V194-A196 PolarHBondContact O-N 2.86Å |
| 195 | V | 24.9 | Very low | 25.2 | Very low | 92 Ų | 92 | 103.6 Ų | 103.6 | 56% | 0.558 | 65% | 0.647 | S | S | * | * | | | trans | -63.4 | 125.6 | 174.5 | 179.8 | 0 | 0 | 0 | 0 | 109.1 | V197 | V195-V197 PolarHBondContact O-N 3.43Š|
| 196 | A | 23.2 | Very low | 25.5 | Very low | 81 Ų | 81 | 104.6 Ų | 104.6 | 67% | 0.669 | 64% | 0.644 | S | S | * | * | | | trans | -44.5 | 123.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V194 | V194-A196 PolarHBondContact O-N 2.86Š|
| 197 | V | 25.9 | Very low | 25.7 | Very low | 131 Ų | 131 | 107 Ų | 107 | 79% | 0.794 | 65% | 0.653 | S | S | * | * | | | trans | -101.5 | 112.4 | 167.1 | -174.5 | 0 | 0 | 0 | 0 | 107.1 | V195 | V195-V197 PolarHBondContact O-N 3.43Š|
| 198 | A | 23.9 | Very low | 25.9 | Very low | 78 Ų | 78 | 108 Ų | 108 | 65% | 0.645 | 65% | 0.647 | S | S | * | * | | | trans | -51.1 | 133.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112 | T200 | A198-T200 PolarHBondContact O-N 3.21Å; A198-T200 VanDerWaalsContact O-N 3.11Å |
| 199 | P | 27.5 | Very low | 26.1 | Very low | 98 Ų | 98 | 106.6 Ų | 106.6 | 64% | 0.636 | 65% | 0.645 | S | S | * | * | | | trans | -68.4 | 113.5 | 178.7 | 26.5 | -31.5 | 0 | 0 | 0 | 109.4 | L184 | L184-P199 HydrophobicContact CD1-CG 4.08Š|
| 200 | T | 24.5 | Very low | 26.2 | Very low | 99 Ų | 99 | 109.3 Ų | 109.3 | 61% | 0.607 | 66% | 0.662 | S | S | * | * | | | trans | -75.4 | 131.2 | 158.5 | 15.9 | 0 | 0 | 0 | 0 | 107.2 | A198 K202 | A198-T200 PolarHBondContact O-N 3.21Å; A198-T200 VanDerWaalsContact O-N 3.11Å; T200-K202 PolarHBondContact O-N 3.14Å |
| 201 | P | 25.6 | Very low | 26.3 | Very low | 129 Ų | 129 | 111.5 Ų | 111.5 | 84% | 0.838 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | 23.7 | -164.7 | 28 | -35.7 | 0 | 0 | 0 | 115 | | |
| 202 | K | 26.2 | Very low | 26.3 | Very low | 191 Ų | 191 | 115 Ų | 115 | 83% | 0.83 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136 | 5.1 | -170.2 | -67 | -167.5 | 176.4 | -175.5 | 0 | 115.6 | T200 | T200-K202 PolarHBondContact O-N 3.14Š|
| 203 | L | 26.3 | Very low | 26.4 | Very low | 97 Ų | 97 | 118.9 Ų | 118.9 | 51% | 0.508 | 68% | 0.682 | S | S | . | * | | | trans | -130.1 | 119.3 | -174.5 | -67 | 169.2 | 0 | 0 | 0 | 111.2 | | |
| 204 | K | 28.1 | Very low | 26.5 | Very low | 196 Ų | 196 | 116.5 Ų | 116.5 | 85% | 0.852 | 67% | 0.674 | S | S | * | * | | | trans | -81.8 | 120.2 | 169.8 | -72.4 | -177.1 | 178.1 | -177 | 0 | 108.3 | V206 | K204-V206 PolarHBondContact O-N 2.97Š|
| 205 | P | 27.5 | Very low | 26.6 | Very low | 117 Ų | 117 | 115.9 Ų | 115.9 | 76% | 0.76 | 69% | 0.689 | S | S | * | * | | | trans | -65.8 | 125.3 | 166.7 | 26.1 | -29.9 | 0 | 0 | 0 | 108.7 | | |
| 206 | V | 29 | Very low | 26.7 | Very low | 103 Ų | 103 | 119.5 Ų | 119.5 | 62% | 0.624 | 70% | 0.7 | S | S | * | * | | | trans | -97.4 | 114.8 | 167.4 | -179.9 | 0 | 0 | 0 | 0 | 106.3 | K204 | K204-V206 PolarHBondContact O-N 2.97Š|
| 207 | V | 29.2 | Very low | 27 | Very low | 110 Ų | 110 | 119.9 Ų | 119.9 | 67% | 0.667 | 70% | 0.703 | S | S | * | * | | | trans | -101.8 | 108.6 | 173.3 | -177.6 | 0 | 0 | 0 | 0 | 106.5 | | |
| 208 | D | 29.1 | Very low | 27 | Very low | 99 Ų | 99 | 117.9 Ų | 117.9 | 53% | 0.529 | 69% | 0.693 | S | S | . | * | | | trans | -108.3 | 102.9 | 177.6 | -153.5 | -0.1 | 0 | 0 | 0 | 107.6 | | |
| 209 | A | 27.9 | Very low | 27.2 | Very low | 62 Ų | 62 | 123 Ų | 123 | 51% | 0.512 | 70% | 0.701 | S | S | . | * | | | trans | -104.9 | 104.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | F211 | A209-F211 HydrophobicContact CB-CE2 4.05Š|
| 210 | T | 26.7 | Very low | 27.3 | Very low | 105 Ų | 105 | 123 Ų | 123 | 64% | 0.644 | 69% | 0.694 | S | S | * | * | | | trans | -94.7 | 121.4 | 172.7 | 12.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 211 | F | 26.6 | Very low | 27.4 | Very low | 155 Ų | 155 | 123.5 Ų | 123.5 | 68% | 0.68 | 69% | 0.69 | S | S | * | * | | | trans | -102 | 115 | 175.1 | -72.3 | -92.1 | 0 | 0 | 0 | 109.6 | A209 | A209-F211 HydrophobicContact CB-CE2 4.05Š|
| 212 | E | 26.3 | Very low | 27.6 | Very low | 157 Ų | 157 | 121.2 Ų | 121.2 | 73% | 0.734 | 67% | 0.67 | S | S | * | * | | | trans | -95.7 | 118.6 | 164.6 | -72.9 | -166.6 | 171.9 | 0 | 0 | 109.6 | N214 | E212-N214 VanDerWaalsContact C-N 3.25Å; E212-N214 PolarHBondContact O-N 3.47Å |
| 213 | P | 25.7 | Very low | 27.7 | Very low | 127 Ų | 127 | 118 Ų | 118 | 83% | 0.825 | 65% | 0.653 | S | S | * | * | | | trans | -82.2 | 70.6 | -179 | 34.2 | -33.5 | 0 | 0 | 0 | 110 | | |
| 214 | N | 26.8 | Very low | 27.9 | Very low | 114 Ų | 114 | 116.9 Ų | 116.9 | 61% | 0.61 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -122.3 | 43.9 | -177.3 | -77.4 | -22.7 | 0 | 0 | 0 | 113.2 | E212 E216 | E212-N214 VanDerWaalsContact C-N 3.25Å; E212-N214 PolarHBondContact O-N 3.47Å; N214-E216 PolarHBondContact O-N 3.4Å |
| 215 | G | 28.2 | Very low | 27.9 | Very low | 92 Ų | 92 | 111 Ų | 111 | 95% | 0.948 | 63% | 0.63 | S | S | * | * | S | Bend | trans | 59.2 | -2.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 216 | E | 26.6 | Very low | 27.9 | Very low | 169 Ų | 169 | 108 Ų | 108 | 79% | 0.79 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -103.2 | 150.6 | 173.9 | -75.4 | -171.5 | 139.3 | 0 | 0 | 109.3 | N214 | N214-E216 PolarHBondContact O-N 3.4Š|
| 217 | A | 29.2 | Very low | 27.7 | Very low | 89 Ų | 89 | 106.2 Ų | 106.2 | 74% | 0.736 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 141.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | K219 | A217-K219 PolarHBondContact O-N 2.84Å; A217-K219 VanDerWaalsContact O-N 3.1Å |
| 218 | P | 26.7 | Very low | 27.5 | Very low | 89 Ų | 89 | 103.2 Ų | 103.2 | 58% | 0.578 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 118.7 | -175.9 | 23.6 | -33 | 0 | 0 | 0 | 110.2 | I220 | P218-I220 PolarHBondContact O-N 3.24Š|
| 219 | K | 27.6 | Very low | 27.3 | Very low | 185 Ų | 185 | 105.3 Ų | 105.3 | 80% | 0.804 | 62% | 0.619 | S | S | * | * | | | trans | -76.5 | 112.3 | 162.7 | -81.4 | -179.4 | 179.6 | 172.2 | 0 | 107.3 | A217 | A217-K219 PolarHBondContact O-N 2.84Å; A217-K219 VanDerWaalsContact O-N 3.1Å |
| 220 | I | 29 | Very low | 27.3 | Very low | 97 Ų | 97 | 105.8 Ų | 105.8 | 50% | 0.497 | 62% | 0.617 | S | S | . | * | | | trans | -94.3 | 106.4 | 170.7 | -56.2 | 174.1 | 0 | 0 | 0 | 106.3 | P218 L222 | P218-I220 PolarHBondContact O-N 3.24Å; I220-L222 HydrophobicContact CG2-CG 4.17Å; I220-L222 PolarHBondContact O-N 3.49Å |
| 221 | E | 28.1 | Very low | 27.2 | Very low | 111 Ų | 111 | 110.8 Ų | 110.8 | 52% | 0.519 | 63% | 0.63 | S | S | . | * | | | trans | -85.1 | 105.5 | 167.6 | -75.9 | -165.7 | 178.6 | 0 | 0 | 109 | R223 | E221-R223 PolarHBondContact O-N 3.34Å; E221-R223 IonicContact OE2-NE 2.98Å; E221-R223 IonicContact OE2-NH2 3.47Å; E221-R223 PolarHBondContact OE2-NH2 3.38Å |
| 222 | L | 29.1 | Very low | 27.4 | Very low | 81 Ų | 81 | 107.8 Ų | 107.8 | 42% | 0.424 | 62% | 0.624 | S | S | . | * | | | trans | -84.9 | 103.4 | 169.5 | -77 | 157.4 | 0 | 0 | 0 | 109 | V189 I220 V224 | V189-L222 HydrophobicContact CG2-CD1 4.37Å; I220-L222 HydrophobicContact CG2-CG 4.17Å; I220-L222 PolarHBondContact O-N 3.49Å; L222-V224 PolarHBondContact O-N 3.31Å |
| 223 | R | 28.4 | Very low | 27.6 | Very low | 123 Ų | 123 | 103.6 Ų | 103.6 | 46% | 0.464 | 62% | 0.616 | S | S | . | * | | | trans | -89.2 | 95.3 | 170.5 | -69.9 | -172 | -176.3 | -166 | 7.1 | 110.4 | E221 | E221-R223 PolarHBondContact O-N 3.34Å; E221-R223 IonicContact OE2-NE 2.98Å; E221-R223 IonicContact OE2-NH2 3.47Å; E221-R223 PolarHBondContact OE2-NH2 3.38Å |
| 224 | V | 29.9 | Very low | 27.8 | Very low | 74 Ų | 74 | 100.6 Ų | 100.6 | 45% | 0.448 | 60% | 0.595 | S | S | . | * | | | trans | -92.1 | 107.6 | 171.4 | -166.7 | 0 | 0 | 0 | 0 | 108.9 | L222 V226 | L222-V224 PolarHBondContact O-N 3.31Å; V224-V226 HydrophobicContact CB-CG2 4.23Å; V224-V226 HydrophobicContact CG1-CG2 3.43Å; V224-V226 VanDerWaalsContact CG1-CG2 3.43Å; V224-V226 PolarHBondContact O-N 3.07Å |
| 225 | V | 27.8 | Very low | 28.1 | Very low | 71 Ų | 71 | 98.2 Ų | 98.2 | 43% | 0.43 | 59% | 0.586 | S | S | . | * | | | trans | -81 | 100.9 | 172.1 | -176.6 | 0 | 0 | 0 | 0 | 107.9 | L266 | V225-L266 HydrophobicContact CG1-CD2 3.98Å; V225-L266 HydrophobicContact CG2-CD2 4Å |
| 226 | V | 28.2 | Very low | 28.4 | Very low | 55 Ų | 55 | 100.4 Ų | 100.4 | 33% | 0.333 | 57% | 0.569 | S | S | . | * | | | trans | -107.9 | 105.9 | 177.9 | -167.6 | 0 | 0 | 0 | 0 | 110.2 | V224 G228 | V224-V226 HydrophobicContact CB-CG2 4.23Å; V224-V226 HydrophobicContact CG1-CG2 3.43Å; V224-V226 VanDerWaalsContact CG1-CG2 3.43Å; V224-V226 PolarHBondContact O-N 3.07Å; V226-G228 VanDerWaalsContact CG1-O 3.25Å; V226-G228 WeakPolarHBondContact CG1-O 2.89Å; V226-G228 PolarHBondContact O-N 3.11Å |
| 227 | G | 23.8 | Very low | 28.8 | Very low | 66 Ų | 66 | 94.9 Ų | 94.9 | 68% | 0.68 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -78.5 | 85.7 | 161 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 228 | G | 26 | Very low | 29.3 | Very low | 46 Ų | 46 | 96.3 Ų | 96.3 | 47% | 0.474 | 56% | 0.557 | S | S | . | * | S | Bend | trans | 148.7 | 144.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V226 P230 | V226-G228 VanDerWaalsContact CG1-O 3.25Å; V226-G228 WeakPolarHBondContact CG1-O 2.89Å; V226-G228 PolarHBondContact O-N 3.11Å; G228-P230 WeakPolarHBondContact O-CD 3.48Å |
| 229 | V | 24.7 | Very low | 29.9 | Very low | 143 Ų | 143 | 99 Ų | 99 | 87% | 0.867 | 56% | 0.562 | S | S | * | * | | | trans | -54.1 | 119.2 | -175 | -175.1 | 0 | 0 | 0 | 0 | 111.1 | K231 | V229-K231 PolarHBondContact O-N 2.76Š|
| 230 | P | 27.8 | Very low | 30.1 | Very low | 72 Ų | 72 | 92.2 Ų | 92.2 | 47% | 0.468 | 55% | 0.545 | S | S | . | . | | | trans | -72.4 | 122.5 | -178 | 26.9 | -31.3 | 0 | 0 | 0 | 110.4 | G228 | G228-P230 WeakPolarHBondContact O-CD 3.48Š|
| 231 | K | 26 | Very low | 30.4 | Very low | 211 Ų | 211 | 93.6 Ų | 93.6 | 92% | 0.917 | 55% | 0.547 | S | S | * | . | | | trans | -83.8 | 107.6 | 161.7 | -79 | -176.9 | 177.8 | 176.7 | 0 | 107.6 | V229 A233 | V229-K231 PolarHBondContact O-N 2.76Å; K231-A233 PolarHBondContact O-N 3.44Å |
| 232 | V | 29.1 | Very low | 30.7 | Very low | 92 Ų | 92 | 92.7 Ų | 92.7 | 56% | 0.558 | 55% | 0.549 | S | S | * | . | | | trans | -75.2 | 114.2 | 177.6 | -178.1 | 0 | 0 | 0 | 0 | 108.9 | V234 | V232-V234 HydrophobicContact CG1-CG2 4.22Š|
| 233 | A | 30.2 | Very low | 31 | Very low | 68 Ų | 68 | 95.1 Ų | 95.1 | 56% | 0.562 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -79 | 120.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | K231 | K231-A233 PolarHBondContact O-N 3.44Š|
| 234 | V | 30.4 | Very low | 31.1 | Very low | 65 Ų | 65 | 93.9 Ų | 93.9 | 39% | 0.394 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -94.4 | 119.4 | 179.9 | -174.5 | 0 | 0 | 0 | 0 | 108.1 | V232 V242 | V232-V234 HydrophobicContact CG1-CG2 4.22Å; V234-V242 HydrophobicContact CG1-CB 4.21Å; V234-V242 HydrophobicContact CG1-CG1 3.35Å; V234-V242 HydrophobicContact CG1-CG2 4.09Å |
| 235 | P | 32.8 | Very low | 31 | Very low | 64 Ų | 64 | 93.5 Ų | 93.5 | 42% | 0.416 | 58% | 0.578 | S | S | . | * | P | Polyproline II helix | trans | -63.4 | 139.9 | 177.9 | 24.8 | -30.9 | 0 | 0 | 0 | 110.1 | E243 | P235-E243 PolarHBondContact O-N 3.4Š|
| 236 | K | 34.6 | Very low | 30.9 | Very low | 137 Ų | 137 | 95.9 Ų | 95.9 | 60% | 0.596 | 59% | 0.593 | S | S | * | * | B | Isolated β-bridge | trans | -108.4 | 142.5 | 174.8 | -66.6 | 178.4 | 179.6 | -180 | 0 | 108.1 | K241 | K236-K241 CarbonylContact C-O 3.5Å; K236-K241 VanDerWaalsContact CA-O 3.25Å; K236-K241 WeakPolarHBondContact CA-O 3.25Å |
| 237 | D | 36.4 | Very low | 31 | Very low | 53 Ų | 53 | 95.8 Ų | 95.8 | 28% | 0.283 | 60% | 0.598 | S | S | . | * | | | trans | -67.5 | 174.6 | 169.9 | 65.4 | 16.1 | 0 | 0 | 0 | 111.5 | E239 G240 K241 E243 | D237-E239 PolarHBondContact O-N 3.48Å; D237-E239 VanDerWaalsContact OD1-C 3.28Å; D237-E239 WeakPolarHBondContact OD1-CA 3.42Å; D237-E239 WeakPolarHBondContact OD1-CB 3.48Å; D237-E239 PolarHBondContact OD1-N 3.38Å; D237-G240 PolarHBondContact O-N 2.96Å; D237-G240 PolarHBondContact OD1-N 2.83Å; D237-K241 PolarHBondContact N-O 3.46Å; D237-K241 PolarHBondContact OD1-N 2.78Å; D237-K241 WeakPolarHBondContact OD2-CB 3.37Å; D237-E243 HydrophobicContact CB-CG 4.42Å |
| 238 | A | 38.6 | Very low | 31.1 | Very low | 119 Ų | 119 | 96.9 Ų | 96.9 | 98% | 0.983 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | -12.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 239 | E | 38.9 | Very low | 31.2 | Very low | 146 Ų | 146 | 99.2 Ų | 99.2 | 68% | 0.682 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | 1 | 175.8 | -57.7 | 177.3 | 173.9 | 0 | 0 | 112.7 | D237 K241 | D237-E239 PolarHBondContact O-N 3.48Å; D237-E239 VanDerWaalsContact OD1-C 3.28Å; D237-E239 WeakPolarHBondContact OD1-CA 3.42Å; D237-E239 WeakPolarHBondContact OD1-CB 3.48Å; D237-E239 PolarHBondContact OD1-N 3.38Å; E239-K241 VanDerWaalsContact C-N 3.32Å; E239-K241 IonicContact OE2-NZ 2.83Å; E239-K241 PolarHBondContact OE2-NZ 3.37Å |
| 240 | G | 33.4 | Very low | 31.5 | Very low | 43 Ų | 43 | 98.2 Ų | 98.2 | 44% | 0.443 | 59% | 0.586 | S | S | . | * | S | Bend | trans | 77.9 | 9.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | D237 | D237-G240 PolarHBondContact O-N 2.96Å; D237-G240 PolarHBondContact OD1-N 2.83Å |
| 241 | K | 34.2 | Very low | 31.5 | Very low | 126 Ų | 126 | 99 Ų | 99 | 55% | 0.548 | 60% | 0.598 | S | S | . | * | | | trans | -84.1 | 139.9 | 173.7 | -71.1 | 171.3 | -174.2 | 143.1 | 0 | 110.6 | K236 D237 E239 E243 | K236-K241 CarbonylContact C-O 3.5Å; K236-K241 VanDerWaalsContact CA-O 3.25Å; K236-K241 WeakPolarHBondContact CA-O 3.25Å; D237-K241 PolarHBondContact N-O 3.46Å; D237-K241 PolarHBondContact OD1-N 2.78Å; D237-K241 WeakPolarHBondContact OD2-CB 3.37Å; E239-K241 VanDerWaalsContact C-N 3.32Å; E239-K241 IonicContact OE2-NZ 2.83Å; E239-K241 PolarHBondContact OE2-NZ 3.37Å; K241-E243 PolarHBondContact O-N 3.49Å |
| 242 | V | 35.3 | Very low | 31.5 | Very low | 92 Ų | 92 | 92 Ų | 92 | 56% | 0.558 | 58% | 0.581 | S | S | * | * | B | Isolated β-bridge | trans | -68.1 | 112.9 | 174.4 | 165 | 0 | 0 | 0 | 0 | 109.1 | V234 | V234-V242 HydrophobicContact CG1-CB 4.21Å; V234-V242 HydrophobicContact CG1-CG1 3.35Å; V234-V242 HydrophobicContact CG1-CG2 4.09Å |
| 243 | E | 35.8 | Very low | 31.5 | Very low | 132 Ų | 132 | 93.1 Ų | 93.1 | 62% | 0.617 | 59% | 0.59 | S | S | * | * | | | trans | -73.6 | 129 | 163.1 | -78.5 | -161 | 146.5 | 0 | 0 | 108.3 | P235 D237 K241 A245 | P235-E243 PolarHBondContact O-N 3.4Å; D237-E243 HydrophobicContact CB-CG 4.42Å; K241-E243 PolarHBondContact O-N 3.49Å; E243-A245 PolarHBondContact O-N 3.41Å |
| 244 | A | 28.6 | Very low | 31.7 | Very low | 96 Ų | 96 | 98 Ų | 98 | 79% | 0.793 | 60% | 0.598 | S | S | * | * | | | trans | -64.7 | 92.8 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 245 | A | 28.9 | Very low | 31.7 | Very low | 66 Ų | 66 | 100.8 Ų | 100.8 | 55% | 0.545 | 62% | 0.615 | S | S | . | * | | | trans | -87.9 | 103.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | E243 A247 | E243-A245 PolarHBondContact O-N 3.41Å; A245-A247 PolarHBondContact O-N 3.25Å |
| 246 | V | 26.5 | Very low | 31.6 | Very low | 122 Ų | 122 | 102.2 Ų | 102.2 | 74% | 0.739 | 62% | 0.624 | S | S | * | * | | | trans | -79.4 | 98.7 | 167.7 | -179.2 | 0 | 0 | 0 | 0 | 107.6 | T248 | V246-T248 HydrophobicContact CG1-CG2 4.19Å; V246-T248 PolarHBondContact O-N 3.26Å |
| 247 | A | 28.7 | Very low | 31.7 | Very low | 52 Ų | 52 | 102 Ų | 102 | 43% | 0.43 | 64% | 0.64 | S | S | . | * | | | trans | -80.5 | 102.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | A245 | A245-A247 PolarHBondContact O-N 3.25Š|
| 248 | T | 27.1 | Very low | 31.7 | Very low | 90 Ų | 90 | 103 Ų | 103 | 55% | 0.552 | 65% | 0.646 | S | S | * | * | | | trans | -82 | 112.4 | 164.6 | 42.6 | 0 | 0 | 0 | 0 | 108.9 | V246 D250 | V246-T248 HydrophobicContact CG1-CG2 4.19Å; V246-T248 PolarHBondContact O-N 3.26Å; T248-D250 PolarHBondContact O-N 3.35Å |
| 249 | V | 27.6 | Very low | 31.6 | Very low | 95 Ų | 95 | 103.2 Ų | 103.2 | 58% | 0.576 | 64% | 0.637 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -82.2 | 101.9 | 168.7 | -179.8 | 0 | 0 | 0 | 0 | 107 | A251 | V249-A251 HydrophobicContact CG1-CB 4.42Å; V249-A251 PolarHBondContact O-N 2.75Å |
| 250 | D | 31.9 | Very low | 31.6 | Very low | 121 Ų | 121 | 103.2 Ų | 103.2 | 65% | 0.647 | 64% | 0.641 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -86.4 | 87.4 | 172.3 | -144.3 | -10.6 | 0 | 0 | 0 | 108.4 | T248 A252 | T248-D250 PolarHBondContact O-N 3.35Å; D250-A252 PolarHBondContact O-N 3.11Å |
| 251 | A | 26.7 | Very low | 31.6 | Very low | 88 Ų | 88 | 108.5 Ų | 108.5 | 73% | 0.727 | 65% | 0.648 | S | S | * | * | | | trans | -80.5 | 66 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | V249 | V249-A251 HydrophobicContact CG1-CB 4.42Å; V249-A251 PolarHBondContact O-N 2.75Å |
| 252 | A | 27 | Very low | 31.5 | Very low | 66 Ų | 66 | 110.9 Ų | 110.9 | 55% | 0.545 | 67% | 0.666 | S | S | . | * | | | trans | -111.4 | 115.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | D250 K254 | D250-A252 PolarHBondContact O-N 3.11Å; A252-K254 PolarHBondContact O-N 2.86Å; A252-K254 VanDerWaalsContact O-N 3.1Å |
| 253 | P | 28.5 | Very low | 31.4 | Very low | 115 Ų | 115 | 111.8 Ų | 111.8 | 75% | 0.747 | 67% | 0.665 | S | S | * | * | | | trans | -63.1 | 115.5 | 175.7 | 24.4 | -30.7 | 0 | 0 | 0 | 109.1 | V255 | P253-V255 PolarHBondContact O-N 3.12Š|
| 254 | K | 33.9 | Very low | 31 | Very low | 170 Ų | 170 | 110.7 Ų | 110.7 | 74% | 0.739 | 67% | 0.669 | S | S | * | * | | | trans | -71 | 100.4 | 167.6 | -83.2 | -178.1 | 178.2 | 174.6 | 0 | 107.7 | A252 | A252-K254 PolarHBondContact O-N 2.86Å; A252-K254 VanDerWaalsContact O-N 3.1Å |
| 255 | V | 29.5 | Very low | 31 | Very low | 124 Ų | 124 | 110.1 Ų | 110.1 | 75% | 0.752 | 67% | 0.665 | S | S | * | * | | | trans | -57.4 | 126.7 | 167 | -177.8 | 0 | 0 | 0 | 0 | 107.7 | P253 S257 | P253-V255 PolarHBondContact O-N 3.12Å; V255-S257 PolarHBondContact O-N 3.22Å |
| 256 | P | 32.2 | Very low | 31 | Very low | 94 Ų | 94 | 113.3 Ų | 113.3 | 61% | 0.61 | 67% | 0.672 | S | S | * | * | | | trans | -59.2 | 126.2 | 175.1 | 20.8 | -28.5 | 0 | 0 | 0 | 109.2 | D258 | P256-D258 PolarHBondContact O-N 3.44Å; P256-D258 VanDerWaalsContact O-N 3.12Å |
| 257 | S | 36.2 | Very low | 31 | Very low | 132 Ų | 132 | 114.6 Ų | 114.6 | 92% | 0.923 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -69.8 | -0.2 | -179 | 39.5 | 0 | 0 | 0 | 0 | 113.9 | V255 | V255-S257 PolarHBondContact O-N 3.22Š|
| 258 | D | 37.2 | Very low | 31 | Very low | 75 Ų | 75 | 113.7 Ų | 113.7 | 40% | 0.401 | 67% | 0.671 | S | S | . | * | | | trans | -139 | 109.6 | 175.7 | -167.3 | -16 | 0 | 0 | 0 | 110.4 | P256 N260 R261 | P256-D258 PolarHBondContact O-N 3.44Å; P256-D258 VanDerWaalsContact O-N 3.12Å; D258-N260 PolarHBondContact O-N 3.04Å; D258-N260 PolarHBondContact OD1-N 3.21Å; D258-R261 HydrophobicContact CB-CB 4.2Å; D258-R261 PolarHBondContact O-N 3.1Å |
| 259 | P | 36.3 | Very low | 31.1 | Very low | 122 Ų | 122 | 111.9 Ų | 111.9 | 79% | 0.792 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -3.5 | 179.7 | 28.4 | -33 | 0 | 0 | 0 | 114.1 | | |
| 260 | N | 38.2 | Very low | 31.2 | Very low | 146 Ų | 146 | 110.2 Ų | 110.2 | 78% | 0.781 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.3 | 7.4 | 179 | -69.3 | -40.4 | 0 | 0 | 0 | 113.8 | D258 | D258-N260 PolarHBondContact O-N 3.04Å; D258-N260 PolarHBondContact OD1-N 3.21Å |
| 261 | R | 33.6 | Very low | 31 | Very low | 155 Ų | 155 | 107.7 Ų | 107.7 | 59% | 0.585 | 64% | 0.64 | S | S | * | * | | | trans | -96.4 | 112 | 178.5 | -140 | 174.9 | -176.5 | -149.6 | 2 | 109.1 | D258 E263 | D258-R261 HydrophobicContact CB-CB 4.2Å; D258-R261 PolarHBondContact O-N 3.1Å; R261-E263 WeakPolarHBondContact CD-OE2 3.45Å; R261-E263 HydrophobicContact CG-CG 4.07Å; R261-E263 VanDerWaalsContact CZ-CD 3.44Å; R261-E263 IonicContact CZ-OE1 3.4Å; R261-E263 IonicContact CZ-OE2 3.66Å; R261-E263 IonicContact NE-OE1 2.78Å; R261-E263 PolarHBondContact NE-OE1 3.21Å; R261-E263 IonicContact NE-OE2 3.48Å; R261-E263 IonicContact NH1-OE1 3.73Å; R261-E263 PolarHBondContact NH1-OE1 3.04Å; R261-E263 IonicContact NH1-OE2 2.83Å; R261-E263 PolarHBondContact NH1-OE2 2.8Å; R261-E263 IonicContact NH2-OE1 3.45Å; R261-E263 PolarHBondContact NH2-OE1 2.8Å; R261-E263 PolarHBondContact O-N 2.84Å |
| 262 | D | 32.5 | Very low | 31.1 | Very low | 175 Ų | 175 | 107.4 Ų | 107.4 | 94% | 0.936 | 63% | 0.63 | S | S | * | * | | | trans | -69.4 | 51.9 | 169.1 | -74.8 | -38.7 | 0 | 0 | 0 | 110.9 | | |
| 263 | E | 32.9 | Very low | 31.2 | Very low | 111 Ų | 111 | 108 Ų | 108 | 52% | 0.519 | 64% | 0.635 | S | S | . | * | | | trans | -91.7 | 131.8 | 169.4 | -80.2 | -178.7 | 157.8 | 0 | 0 | 108.8 | R261 A265 | R261-E263 WeakPolarHBondContact CD-OE2 3.45Å; R261-E263 HydrophobicContact CG-CG 4.07Å; R261-E263 VanDerWaalsContact CZ-CD 3.44Å; R261-E263 IonicContact CZ-OE1 3.4Å; R261-E263 IonicContact CZ-OE2 3.66Å; R261-E263 IonicContact NE-OE1 2.78Å; R261-E263 PolarHBondContact NE-OE1 3.21Å; R261-E263 IonicContact NE-OE2 3.48Å; R261-E263 IonicContact NH1-OE1 3.73Å; R261-E263 PolarHBondContact NH1-OE1 3.04Å; R261-E263 IonicContact NH1-OE2 2.83Å; R261-E263 PolarHBondContact NH1-OE2 2.8Å; R261-E263 IonicContact NH2-OE1 3.45Å; R261-E263 PolarHBondContact NH2-OE1 2.8Å; R261-E263 PolarHBondContact O-N 2.84Å; E263-A265 PolarHBondContact O-N 3.14Å; E263-A265 VanDerWaalsContact O-N 3.14Å |
| 264 | P | 27.5 | Very low | 31.1 | Very low | 109 Ų | 109 | 108.6 Ų | 108.6 | 71% | 0.708 | 64% | 0.636 | S | S | * | * | | | trans | -58 | 123.6 | 175.2 | 23.2 | -30.9 | 0 | 0 | 0 | 108.8 | L266 | P264-L266 VanDerWaalsContact C-N 3.35Å; P264-L266 PolarHBondContact O-N 2.99Å |
| 265 | A | 28.1 | Very low | 30.9 | Very low | 85 Ų | 85 | 107.9 Ų | 107.9 | 70% | 0.702 | 63% | 0.629 | S | S | * | * | | | trans | -58.1 | 99.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | E263 D267 | E263-A265 PolarHBondContact O-N 3.14Å; E263-A265 VanDerWaalsContact O-N 3.14Å; A265-D267 VanDerWaalsContact C-N 3.29Å; A265-D267 PolarHBondContact O-N 3.35Å |
| 266 | L | 28.7 | Very low | 30.7 | Very low | 132 Ų | 132 | 107 Ų | 107 | 69% | 0.691 | 63% | 0.626 | S | S | * | * | | | trans | -73.1 | 89.7 | 170.6 | -85.6 | 146.8 | 0 | 0 | 0 | 107.3 | V225 P264 G268 | V225-L266 HydrophobicContact CG1-CD2 3.98Å; V225-L266 HydrophobicContact CG2-CD2 4Å; P264-L266 VanDerWaalsContact C-N 3.35Å; P264-L266 PolarHBondContact O-N 2.99Å; L266-G268 PolarHBondContact O-N 3.19Å |
| 267 | D | 27.2 | Very low | 30.5 | Very low | 149 Ų | 149 | 113 Ų | 113 | 80% | 0.797 | 64% | 0.642 | S | S | * | * | | | trans | -63.1 | 79.4 | 162.5 | -79.9 | -27.4 | 0 | 0 | 0 | 108.3 | A265 | A265-D267 VanDerWaalsContact C-N 3.29Å; A265-D267 PolarHBondContact O-N 3.35Å |
| 268 | G | 28.5 | Very low | 30.2 | Very low | 34 Ų | 34 | 112.5 Ų | 112.5 | 35% | 0.351 | 63% | 0.634 | S | S | . | * | | | trans | -117.8 | 116.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | L266 V270 | L266-G268 PolarHBondContact O-N 3.19Å; G268-V270 PolarHBondContact O-N 2.98Å |
| 269 | A | 28.3 | Very low | 29.6 | Very low | 51 Ų | 51 | 118.2 Ų | 118.2 | 42% | 0.421 | 66% | 0.655 | S | S | . | * | | | trans | -64.8 | 125.3 | 164 | 0 | 0 | 0 | 0 | 0 | 109 | L271 | A269-L271 PolarHBondContact O-N 3.29Š|
| 270 | V | 29.3 | Very low | 29.1 | Very low | 60 Ų | 60 | 117.7 Ų | 117.7 | 36% | 0.364 | 65% | 0.652 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.3 | 112 | 174.4 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | G268 | G268-V270 PolarHBondContact O-N 2.98Å |
| 271 | L | 28 | Very low | 28.6 | Very low | 68 Ų | 68 | 116.7 Ų | 116.7 | 36% | 0.356 | 65% | 0.653 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.6 | 111.7 | 167.8 | -77.5 | 165.7 | 0 | 0 | 0 | 108.5 | A269 | A269-L271 PolarHBondContact O-N 3.29Å |
| 272 | T | 29.7 | Very low | 28.2 | Very low | 82 Ų | 82 | 115.1 Ų | 115.1 | 50% | 0.503 | 66% | 0.661 | S | S | . | * | | | trans | -100.5 | 111.8 | 173 | -44.6 | 0 | 0 | 0 | 0 | 108.3 | V274 | T272-V274 HydrophobicContact CG2-CG2 4.21Š|
| 273 | A | 29.1 | Very low | 27.9 | Very low | 80 Ų | 80 | 112.4 Ų | 112.4 | 66% | 0.661 | 65% | 0.652 | S | S | * | * | | | trans | -96.8 | 118.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 274 | V | 27.1 | Very low | 27.7 | Very low | 127 Ų | 127 | 113.5 Ų | 113.5 | 77% | 0.77 | 67% | 0.667 | S | S | * | * | | | trans | -106.9 | 118.9 | 174.1 | -178.3 | 0 | 0 | 0 | 0 | 108.1 | T272 | T272-V274 HydrophobicContact CG2-CG2 4.21Š|
| 275 | W | 28.4 | Very low | 27.6 | Very low | 154 Ų | 154 | 117.1 Ų | 117.1 | 58% | 0.583 | 67% | 0.674 | S | S | * | * | | | trans | -98.4 | 127.7 | 179.4 | -74.8 | 41.4 | 0 | 0 | 0 | 110.6 | A192 | A192-W275 HydrophobicContact CB-CH2 3.03Å; A192-W275 HydrophobicContact CB-CZ2 3.71Å; A192-W275 HydrophobicContact CB-CZ3 3.72Å |
| 276 | P | 26.2 | Very low | 27.6 | Very low | 106 Ų | 106 | 117.5 Ų | 117.5 | 69% | 0.688 | 68% | 0.677 | S | S | * | * | | | trans | -70.3 | 142 | 172.9 | 27.6 | -30.6 | 0 | 0 | 0 | 110.6 | T278 | P276-T278 PolarHBondContact O-N 2.75Š|
| 277 | K | 27.1 | Very low | 27.5 | Very low | 220 Ų | 220 | 120.3 Ų | 120.3 | 96% | 0.957 | 69% | 0.687 | S | S | * | * | | | trans | -58.6 | 100.2 | 175.1 | -71.4 | -179 | 177.6 | 178.6 | 0 | 110.4 | | |
| 278 | T | 29.7 | Very low | 27.7 | Very low | 121 Ų | 121 | 122.1 Ų | 122.1 | 74% | 0.742 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -94 | 134.8 | 169 | 43.8 | 0 | 0 | 0 | 0 | 110.1 | P276 | P276-T278 PolarHBondContact O-N 2.75Š|
| 279 | K | 25 | Very low | 27.6 | Very low | 195 Ų | 195 | 129.8 Ų | 129.8 | 85% | 0.848 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 149.9 | 180 | -79.3 | 176 | 175 | 177.8 | 0 | 110.7 | | |
| 280 | P | 26 | Very low | 27.7 | Very low | 112 Ų | 112 | 135.1 Ų | 135.1 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 143 | 172.5 | 24.8 | -32.8 | 0 | 0 | 0 | 110.5 | V282 | P280-V282 PolarHBondContact O-N 3.06Š|
| 281 | P | 28.5 | Very low | 27.6 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 81% | 0.805 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 131.3 | 177.9 | 24.2 | -31 | 0 | 0 | 0 | 110.6 | | |
| 282 | V | 23.6 | Very low | 27.6 | Very low | 123 Ų | 123 | 139.1 Ų | 139.1 | 75% | 0.745 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 132.5 | 172.2 | 179.6 | 0 | 0 | 0 | 0 | 108.1 | P280 V284 | P280-V282 PolarHBondContact O-N 3.06Å; V282-V284 PolarHBondContact O-N 2.7Å |
| 283 | P | 28 | Very low | 27.5 | Very low | 117 Ų | 117 | 143.4 Ų | 143.4 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 120.7 | 173 | 11.5 | -4.2 | 0 | 0 | 0 | 108.7 | E285 | P283-E285 PolarHBondContact O-N 3.32Š|
| 284 | V | 28 | Very low | 27.4 | Very low | 135 Ų | 135 | 145.2 Ų | 145.2 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | trans | -78.5 | 111.6 | 170.5 | -177.1 | 0 | 0 | 0 | 0 | 106.8 | V282 A286 | V282-V284 PolarHBondContact O-N 2.7Å; V284-A286 PolarHBondContact O-N 3.28Å |
| 285 | E | 24.8 | Very low | 27.4 | Very low | 185 Ų | 185 | 147 Ų | 147 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | | | trans | -61.5 | 121.4 | 163.5 | -69.7 | -175.3 | 153.4 | 0 | 0 | 108.2 | P283 | P283-E285 PolarHBondContact O-N 3.32Š|
| 286 | A | 29.4 | Very low | 27.4 | Very low | 93 Ų | 93 | 149.7 Ų | 149.7 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | | | trans | -123.2 | 95.3 | 164.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | V284 E288 | V284-A286 PolarHBondContact O-N 3.28Å; A286-E288 PolarHBondContact O-N 3.09Å |
| 287 | E | 26.2 | Very low | 27.3 | Very low | 191 Ų | 191 | 148.1 Ų | 148.1 | 89% | 0.893 | 82% | 0.823 | S | S | * | * | | | trans | -54.7 | 119.1 | 157.4 | -65.8 | 176 | 130.9 | 0 | 0 | 108.5 | | |
| 288 | E | 31.1 | Very low | 27.2 | Very low | 187 Ų | 187 | 144.3 Ų | 144.3 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | | | trans | -152 | 118.3 | 143 | -125.9 | 178.4 | 179.1 | 0 | 0 | 110.6 | A286 | A286-E288 PolarHBondContact O-N 3.09Š|
| 289 | E | 25.1 | Very low | 27 | Very low | 194 Ų | 194 | 144.7 Ų | 144.7 | 91% | 0.907 | 82% | 0.82 | S | S | * | * | | | trans | -69.7 | 116 | -177.1 | -175.7 | -178.3 | -174.5 | 0 | 0 | 110.6 | | |
| 290 | I | 30.6 | Very low | 26.9 | Very low | 164 Ų | 164 | 142.3 Ų | 142.3 | 84% | 0.841 | 82% | 0.821 | S | S | * | * | | | trans | -132.2 | 123.3 | 164.8 | -56.2 | -179.6 | 0 | 0 | 0 | 109.6 | | |
| 291 | A | 27.6 | Very low | 27 | Very low | 84 Ų | 84 | 141.4 Ų | 141.4 | 69% | 0.694 | 82% | 0.823 | S | S | * | * | | | trans | -61.9 | 156.7 | -166.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 292 | P | 27.4 | Very low | 26.8 | Very low | 128 Ų | 128 | 142.9 Ų | 142.9 | 83% | 0.831 | 82% | 0.824 | S | S | * | * | | | trans | -84 | 140.5 | -177 | 34.2 | -32.3 | 0 | 0 | 0 | 112.1 | | |
| 293 | L | 28.2 | Very low | 27 | Very low | 172 Ų | 172 | 141.6 Ų | 141.6 | 90% | 0.901 | 83% | 0.827 | S | S | * | * | | | trans | -118.3 | 152.2 | 168 | -82.5 | 167.3 | 0 | 0 | 0 | 111.2 | | |
| 294 | P | 28.1 | Very low | 27 | Very low | 118 Ų | 118 | 140.5 Ų | 140.5 | 77% | 0.766 | 83% | 0.828 | S | S | * | * | | | trans | -97.3 | 152.3 | -141.8 | 36.3 | -35.1 | 0 | 0 | 0 | 116.2 | | |
| 295 | N | 26.2 | Very low | 26.9 | Very low | 164 Ų | 164 | 137.5 Ų | 137.5 | 88% | 0.877 | 82% | 0.824 | S | S | * | * | | | trans | -37.1 | 131.1 | 172 | -71.2 | -35.5 | 0 | 0 | 0 | 117.7 | | |
| 296 | K | 27.6 | Very low | 26.9 | Very low | 211 Ų | 211 | 135 Ų | 135 | 92% | 0.917 | 83% | 0.826 | S | S | * | * | | | trans | -155.3 | 118.3 | 142.2 | -64.2 | -173.4 | -178.5 | 175.1 | 0 | 106 | | |
| 297 | G | 24.4 | Very low | 26.8 | Very low | 73 Ų | 73 | 136 Ų | 136 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | | | cis | 116.6 | 91.1 | 14.4 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 298 | V | 25.6 | Very low | 26.8 | Very low | 140 Ų | 140 | 134.2 Ų | 134.2 | 85% | 0.848 | 82% | 0.821 | S | S | * | * | | | trans | -162.6 | 100.2 | 159.6 | -173.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 299 | V | 25.8 | Very low | 26.5 | Very low | 129 Ų | 129 | 132.9 Ų | 132.9 | 78% | 0.782 | 82% | 0.818 | S | S | * | * | | | | 65.7 | 105.5 | 87.3 | -173 | 0 | 0 | 0 | 0 | 115.3 | | |
| 300 | V | 22.6 | Very low | 26.5 | Very low | 144 Ų | 144 | 130.6 Ų | 130.6 | 87% | 0.873 | 81% | 0.812 | S | S | * | * | | | trans | -85.6 | 134 | 165.8 | 178.1 | 0 | 0 | 0 | 0 | 108.7 | | |
| 301 | A | 27.1 | Very low | 26.2 | Very low | 93 Ų | 93 | 128.2 Ų | 128.2 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | | | trans | -127 | 112.7 | 170 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 302 | D | 24.5 | Very low | 26.1 | Very low | 155 Ų | 155 | 135.1 Ų | 135.1 | 83% | 0.829 | 81% | 0.813 | S | S | * | * | | | trans | -71.6 | 133.5 | 161.5 | 174.1 | 11.5 | 0 | 0 | 0 | 109 | | |
| 303 | A | 29.6 | Very low | 26 | Very low | 96 Ų | 96 | 134.1 Ų | 134.1 | 79% | 0.793 | 81% | 0.806 | S | S | * | * | | | trans | -151.2 | 103.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 304 | A | 26.4 | Very low | 25.8 | Very low | 95 Ų | 95 | 134.4 Ų | 134.4 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | | | trans | -45.1 | 142.8 | 163 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 305 | G | 25.6 | Very low | 25.6 | Very low | 71 Ų | 71 | 133.9 Ų | 133.9 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | | | trans | 98.2 | 99.2 | 151.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 306 | C | 26.2 | Very low | 25.6 | Very low | 134 Ų | 134 | 133 Ų | 133 | 91% | 0.905 | 81% | 0.806 | S | S | * | * | | | | -173.6 | 131.3 | 125.3 | -93.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 307 | P | 26.8 | Very low | 25.8 | Very low | 113 Ų | 113 | 129 Ų | 129 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | | | trans | -90.7 | 158.2 | -177.7 | 36 | -32.3 | 0 | 0 | 0 | 112.7 | | |
| 308 | N | 26.1 | Very low | 25.8 | Very low | 154 Ų | 154 | 128.8 Ų | 128.8 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | | | trans | 73.7 | 132.8 | 159.1 | -81.2 | -29.4 | 0 | 0 | 0 | 119.6 | | |
| 309 | I | 25.9 | Very low | 26.2 | Very low | 158 Ų | 158 | 131.2 Ų | 131.2 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | | | trans | 103.3 | 97.6 | 157.9 | -55.7 | 154.3 | 0 | 0 | 0 | 116 | | |
| 310 | N | 25.1 | Very low | 26.6 | Very low | 146 Ų | 146 | 134.2 Ų | 134.2 | 78% | 0.781 | 81% | 0.805 | S | S | * | * | | | | 38 | 116 | 120.3 | -104.7 | -13.3 | 0 | 0 | 0 | 119.4 | | |
| 311 | V | 23.6 | Very low | 27.4 | Very low | 115 Ų | 115 | 135.2 Ų | 135.2 | 70% | 0.697 | 81% | 0.805 | S | S | * | * | | | trans | 82.8 | 124.9 | 146.3 | -134.3 | 0 | 0 | 0 | 0 | 120.7 | | |
| 312 | R | 24.7 | Very low | 27.8 | Very low | 229 Ų | 229 | 138.5 Ų | 138.5 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | | | trans | 86.3 | 166.8 | 152.1 | -51 | -165.4 | 169.5 | -169.1 | -5.4 | 118.2 | | |
| 313 | P | 25.1 | Very low | 28.4 | Very low | 107 Ų | 107 | 140.4 Ų | 140.4 | 70% | 0.695 | 81% | 0.813 | S | S | * | * | | | | -130.1 | 151.3 | -63.6 | 36.4 | -21.2 | 0 | 0 | 0 | 110.4 | C315 | P313-C315 PolarHBondContact O-N 2.95Š|
| 314 | L | 24.2 | Very low | 28.5 | Very low | 178 Ų | 178 | 139.5 Ų | 139.5 | 93% | 0.932 | 81% | 0.813 | S | S | * | * | | | trans | -93.6 | 107.7 | 174.2 | -96.9 | 155.9 | 0 | 0 | 0 | 111.5 | | |
| 315 | C | 24.9 | Very low | 28.9 | Very low | 107 Ų | 107 | 141.7 Ų | 141.7 | 72% | 0.723 | 82% | 0.817 | S | S | * | * | | | trans | -58.1 | 132.5 | 165.4 | -61.4 | 0 | 0 | 0 | 0 | 110.8 | P313 | P313-C315 PolarHBondContact O-N 2.95Š|
| 316 | V | 26.9 | Very low | 29.1 | Very low | 145 Ų | 145 | 145.8 Ų | 145.8 | 88% | 0.879 | 82% | 0.822 | S | S | * | * | | | trans | -101.9 | 113.6 | 162.9 | -177.8 | 0 | 0 | 0 | 0 | 107.1 | | |
| 317 | V | 30 | Very low | 29.6 | Very low | 127 Ų | 127 | 145.4 Ų | 145.4 | 77% | 0.77 | 82% | 0.815 | S | S | * | * | | | trans | -90.7 | 123.3 | 169.2 | 178.6 | 0 | 0 | 0 | 0 | 106.5 | | |
| 318 | G | 25.6 | Very low | 29.9 | Very low | 69 Ų | 69 | 148 Ų | 148 | 71% | 0.711 | 82% | 0.817 | S | S | * | * | | | trans | -87.1 | 137.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 319 | E | 32.7 | Very low | 30.1 | Very low | 191 Ų | 191 | 147.2 Ų | 147.2 | 89% | 0.893 | 82% | 0.818 | S | S | * | * | | | trans | -122.8 | 141.6 | 164.9 | -101.6 | -175.3 | 150.8 | 0 | 0 | 109.9 | | |
| 320 | E | 36.1 | Very low | 30.6 | Very low | 192 Ų | 192 | 144.6 Ų | 144.6 | 90% | 0.897 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 152.2 | -165.9 | -66.7 | 176.3 | 134.5 | 0 | 0 | 113.7 | | |
| 321 | N | 37.4 | Very low | 31 | Very low | 164 Ų | 164 | 142.3 Ų | 142.3 | 88% | 0.877 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 138 | 171.8 | -68.1 | -28.4 | 0 | 0 | 0 | 111.2 | | |
| 322 | N | 35.5 | Very low | 31.3 | Very low | 162 Ų | 162 | 142.5 Ų | 142.5 | 87% | 0.866 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 134.6 | 173.1 | -65.9 | -56.2 | 0 | 0 | 0 | 114 | | |
| 323 | E | 39 | Very low | 32 | Very low | 195 Ų | 195 | 143.6 Ų | 143.6 | 91% | 0.911 | 85% | 0.847 | S | S | * | * | | | trans | -166.5 | 130.2 | 131.5 | -105.9 | 173.2 | -165.7 | 0 | 0 | 109.5 | | |
| 324 | G | 31.7 | Very low | 32.4 | Very low | 77 Ų | 77 | 145.4 Ų | 145.4 | 79% | 0.794 | 86% | 0.855 | S | S | * | * | | | trans | -77.6 | 148.9 | -158.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 325 | V | 33.8 | Very low | 32.8 | Very low | 141 Ų | 141 | 143.7 Ų | 143.7 | 86% | 0.855 | 85% | 0.851 | S | S | * | * | | | trans | -147.8 | 112.2 | 146.9 | -179.4 | 0 | 0 | 0 | 0 | 107.3 | | |
| 326 | D | 29.7 | Very low | 33.2 | Very low | 157 Ų | 157 | 145.7 Ų | 145.7 | 84% | 0.84 | 86% | 0.858 | S | S | * | * | | | trans | -60.5 | 132.2 | 160.5 | -89.7 | -48.9 | 0 | 0 | 0 | 109 | | |
| 327 | V | 36.8 | Very low | 33.6 | Very low | 126 Ų | 126 | 145.8 Ų | 145.8 | 76% | 0.764 | 86% | 0.856 | S | S | * | * | | | trans | -170.5 | 104.4 | 130.8 | 172.5 | 0 | 0 | 0 | 0 | 108.2 | | |
| 328 | E | 32.9 | Very low | 33.8 | Very low | 167 Ų | 167 | 146.9 Ų | 146.9 | 78% | 0.78 | 86% | 0.862 | S | S | * | * | | | | 56.4 | 96.7 | 127.3 | -137.9 | 172.2 | -170.3 | 0 | 0 | 119.5 | | |
| 329 | T | 31.5 | Very low | 34.4 | Very low | 138 Ų | 138 | 152.1 Ų | 152.1 | 85% | 0.847 | 87% | 0.872 | S | S | * | * | | | | 29.3 | 104.7 | 125.8 | -20.7 | 0 | 0 | 0 | 0 | 118.4 | | |
| 330 | A | 35 | Very low | 34.5 | Very low | 103 Ų | 103 | 149.4 Ų | 149.4 | 85% | 0.851 | 87% | 0.87 | S | S | * | * | | | trans | -153.5 | 132.7 | 140 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 331 | A | 33.4 | Very low | 34.4 | Very low | 98 Ų | 98 | 146.1 Ų | 146.1 | 81% | 0.81 | 87% | 0.868 | S | S | * | * | | | trans | -79 | -178.5 | -164.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 332 | P | 31.6 | Very low | 34.1 | Very low | 120 Ų | 120 | 144.6 Ų | 144.6 | 78% | 0.779 | 87% | 0.868 | S | S | * | * | | | trans | -95 | 158.1 | -138.1 | 38.6 | -39.4 | 0 | 0 | 0 | 116 | | |
| 333 | L | 38.5 | Very low | 34 | Very low | 251 Ų | 251 | 143 Ų | 143 | 100% | 1.314 | 87% | 0.868 | S | S | * | * | | | trans | -136.3 | 0 | 143.1 | -83.9 | 174.6 | 0 | 0 | 0 | 108.7 | | |