| 1 | M | 31.9 | Very low | 38.2 | Very low | 246 Ų | 246 | 156 Ų | 156 | 100% | 1.212 | 85% | 0.852 | S | S | * | * | | | | 0 | 119.6 | 0 | -67.5 | -152.1 | -166.6 | 0 | 0 | 107.5 | | |
| 2 | S | 33.4 | Very low | 38.8 | Very low | 127 Ų | 127 | 152 Ų | 152 | 89% | 0.888 | 84% | 0.836 | S | S | * | * | | | trans | -102.2 | 133.5 | -179.7 | -22.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 3 | F | 36.3 | Very low | 39.2 | Very low | 182 Ų | 182 | 152.5 Ų | 152.5 | 80% | 0.798 | 84% | 0.836 | S | S | * | * | | | trans | -94.7 | 140.5 | 176.3 | 51.8 | -85.9 | 0 | 0 | 0 | 110.1 | V5 | F3-V5 HydrophobicContact CE2-CG2 3.86Å; F3-V5 HydrophobicContact CD2-CG2 3.83Å |
| 4 | K | 33.2 | Very low | 39.7 | Very low | 205 Ų | 205 | 147 Ų | 147 | 89% | 0.891 | 81% | 0.81 | S | S | * | * | | | trans | -87.6 | 115.3 | 176.4 | -79.3 | 172.3 | 173.3 | 168.5 | 0 | 108.7 | | |
| 5 | V | 38.3 | Very low | 40.2 | Very low | 121 Ų | 121 | 145.7 Ų | 145.7 | 73% | 0.733 | 81% | 0.811 | S | S | * | * | | | trans | -87.7 | 114.6 | 169.5 | 179.8 | 0 | 0 | 0 | 0 | 107.6 | F3 S7 | F3-V5 HydrophobicContact CE2-CG2 3.86Å; F3-V5 HydrophobicContact CD2-CG2 3.83Å; V5-S7 PolarHBondContact O-N 3.09Å |
| 6 | L | 38.6 | Very low | 40.5 | Very low | 161 Ų | 161 | 140.8 Ų | 140.8 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | | | trans | -79 | 108.8 | 174 | -66.1 | 166.3 | 0 | 0 | 0 | 107.4 | E8 | L6-E8 PolarHBondContact O-N 3.35Š|
| 7 | S | 43.8 | Very low | 41 | Very low | 118 Ų | 118 | 140.4 Ų | 140.4 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | | | trans | -76.1 | 114.7 | 177.5 | -162.6 | 0 | 0 | 0 | 0 | 109.5 | V5 | V5-S7 PolarHBondContact O-N 3.09Š|
| 8 | E | 40.5 | Very low | 41.7 | Very low | 183 Ų | 183 | 142.5 Ų | 142.5 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | | | trans | -65.6 | 132 | 171.4 | -76.3 | 180 | 152.1 | 0 | 0 | 109.8 | L6 S10 | L6-E8 PolarHBondContact O-N 3.35Å; E8-S10 PolarHBondContact O-N 3.1Å |
| 9 | A | 43.1 | Very low | 41.9 | Very low | 98 Ų | 98 | 144.2 Ų | 144.2 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | | | trans | -60.7 | 114 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 10 | S | 42.8 | Very low | 42.1 | Very low | 100 Ų | 100 | 142.8 Ų | 142.8 | 70% | 0.699 | 80% | 0.795 | S | S | * | * | | | trans | -85.3 | 111.2 | 162.6 | 41.8 | 0 | 0 | 0 | 0 | 108.1 | E8 V12 | E8-S10 PolarHBondContact O-N 3.1Å; S10-V12 PolarHBondContact O-N 3.32Å |
| 11 | E | 38.6 | Very low | 42.4 | Very low | 175 Ų | 175 | 144.2 Ų | 144.2 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | trans | -64 | 100.9 | 164.9 | -78.8 | 179.3 | 153.1 | 0 | 0 | 107.7 | D13 | E11-D13 PolarHBondContact O-N 3.12Š|
| 12 | V | 45.4 | Very low | 42.9 | Very low | 108 Ų | 108 | 138.2 Ų | 138.2 | 66% | 0.655 | 78% | 0.775 | S | S | * | * | | | trans | -84.6 | 110.5 | 170.4 | -177.5 | 0 | 0 | 0 | 0 | 107.1 | S10 V14 | S10-V12 PolarHBondContact O-N 3.32Å; V12-V14 HydrophobicContact CB-CG2 4.34Å; V12-V14 HydrophobicContact CG1-CG2 3.78Å; V12-V14 PolarHBondContact O-N 3.46Å; V12-V14 VanDerWaalsContact O-N 3.12Å |
| 13 | D | 43.7 | Very low | 43.7 | Very low | 158 Ų | 158 | 139.1 Ų | 139.1 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | | | trans | -71.1 | 99.6 | 171.3 | -147 | -17.5 | 0 | 0 | 0 | 107.7 | E11 P15 | E11-D13 PolarHBondContact O-N 3.12Å; D13-P15 WeakPolarHBondContact O-CD 3.11Å |
| 14 | V | 46.1 | Very low | 43.9 | Very low | 76 Ų | 76 | 135.8 Ų | 135.8 | 46% | 0.461 | 77% | 0.769 | S | S | . | * | | | trans | -95.4 | 98.3 | -177.4 | -176.5 | 0 | 0 | 0 | 0 | 109.4 | V12 G16 L17 | V12-V14 HydrophobicContact CB-CG2 4.34Å; V12-V14 HydrophobicContact CG1-CG2 3.78Å; V12-V14 PolarHBondContact O-N 3.46Å; V12-V14 VanDerWaalsContact O-N 3.12Å; V14-G16 PolarHBondContact O-N 3.32Å; V14-G16 VanDerWaalsContact O-N 3.08Å; V14-L17 HydrophobicContact CG1-CD1 4.22Å |
| 15 | P | 47.9 | Very low | 44.7 | Very low | 127 Ų | 127 | 135.9 Ų | 135.9 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | 111.8 | 172.5 | 24.4 | -31.6 | 0 | 0 | 0 | 109.6 | D13 | D13-P15 WeakPolarHBondContact O-CD 3.11Š|
| 16 | G | 44.9 | Very low | 45.1 | Very low | 67 Ų | 67 | 134.1 Ų | 134.1 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 129.5 | -5.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | V14 F18 | V14-G16 PolarHBondContact O-N 3.32Å; V14-G16 VanDerWaalsContact O-N 3.08Å; G16-F18 VanDerWaalsContact C-N 3.3Å; G16-F18 PolarHBondContact O-N 2.77Å |
| 17 | L | 49 | Very low | 45.3 | Very low | 135 Ų | 135 | 129.9 Ų | 129.9 | 71% | 0.707 | 77% | 0.771 | S | S | * | * | | | trans | -78 | -9.9 | -176.4 | -134.1 | 91.7 | 0 | 0 | 0 | 115 | V14 | V14-L17 HydrophobicContact CG1-CD1 4.22Š|
| 18 | F | 53.2 | Low | 45.6 | Very low | 178 Ų | 178 | 134.6 Ų | 134.6 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | | | trans | -104.5 | 61 | -177.5 | -59.2 | -77.7 | 0 | 0 | 0 | 111.6 | G16 P20 | G16-F18 VanDerWaalsContact C-N 3.3Å; G16-F18 PolarHBondContact O-N 2.77Å; F18-P20 WeakPolarHBondContact O-CD 3.18Å |
| 19 | Q | 44.8 | Very low | 46.1 | Very low | 175 Ų | 175 | 134.1 Ų | 134.1 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | trans | -72.3 | 112.1 | 153.6 | -75.6 | -169 | -37.1 | 0 | 0 | 106.9 | F21 | Q19-F21 PolarHBondContact O-N 2.89Š|
| 20 | P | 47.3 | Very low | 46.1 | Very low | 115 Ų | 115 | 132.4 Ų | 132.4 | 75% | 0.747 | 77% | 0.771 | S | S | * | * | | | trans | -60.3 | 116 | 176.8 | 24.8 | -32.1 | 0 | 0 | 0 | 107.3 | F18 S22 | F18-P20 WeakPolarHBondContact O-CD 3.18Å; P20-S22 PolarHBondContact O-N 2.85Å |
| 21 | F | 47.3 | Very low | 46.4 | Very low | 174 Ų | 174 | 133.4 Ų | 133.4 | 76% | 0.763 | 77% | 0.773 | S | S | * | * | | | trans | -56 | 112.3 | 166.3 | 38.3 | -90 | 0 | 0 | 0 | 106.7 | Q19 L23 | Q19-F21 PolarHBondContact O-N 2.89Å; F21-L23 HydrophobicContact CD2-CD1 3.98Å; F21-L23 HydrophobicContact CD2-CG 4.06Å; F21-L23 HydrophobicContact CE2-CD1 4.04Å; F21-L23 PolarHBondContact O-N 3.41Å |
| 22 | S | 43.2 | Very low | 47 | Very low | 119 Ų | 119 | 132.5 Ų | 132.5 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | | | trans | -69.3 | 86.2 | 178.2 | -163.5 | 0 | 0 | 0 | 0 | 107.4 | P20 S24 | P20-S22 PolarHBondContact O-N 2.85Å; S22-S24 VanDerWaalsContact C-N 3.27Å; S22-S24 PolarHBondContact O-N 2.76Å |
| 23 | L | 49.3 | Very low | 47.2 | Very low | 147 Ų | 147 | 131 Ų | 131 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | | | trans | -68.7 | 98.8 | 165.7 | -79.5 | 167.5 | 0 | 0 | 0 | 106.4 | F21 K25 | F21-L23 HydrophobicContact CD2-CD1 3.98Å; F21-L23 HydrophobicContact CD2-CG 4.06Å; F21-L23 HydrophobicContact CE2-CD1 4.04Å; F21-L23 PolarHBondContact O-N 3.41Å; L23-K25 PolarHBondContact O-N 3.19Å |
| 24 | S | 40.6 | Very low | 47.5 | Very low | 111 Ų | 111 | 131.2 Ų | 131.2 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | | | trans | -39.9 | 123.3 | 173 | 178.1 | 0 | 0 | 0 | 0 | 110.7 | S22 | S22-S24 VanDerWaalsContact C-N 3.27Å; S22-S24 PolarHBondContact O-N 2.76Å |
| 25 | K | 51.4 | Low | 47.4 | Very low | 207 Ų | 207 | 132.1 Ų | 132.1 | 90% | 0.9 | 79% | 0.788 | S | S | * | * | | | trans | -44.6 | 133.4 | 176.9 | -63.2 | 172.1 | 175.8 | 176.8 | 0 | 111.9 | L23 | L23-K25 PolarHBondContact O-N 3.19Š|
| 26 | G | 45.1 | Very low | 47.5 | Very low | 84 Ų | 84 | 132.2 Ų | 132.2 | 87% | 0.866 | 79% | 0.786 | S | S | * | * | | | trans | 176 | 71.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 27 | G | 42.5 | Very low | 47.1 | Very low | 72 Ų | 72 | 131.8 Ų | 131.8 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | | | trans | 176.6 | 96.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L29 | G27-L29 PolarHBondContact O-N 2.94Š|
| 28 | K | 51.5 | Low | 47 | Very low | 218 Ų | 218 | 130.5 Ų | 130.5 | 95% | 0.948 | 79% | 0.79 | S | S | * | * | | | trans | -56.5 | 103.9 | 170.8 | -78 | 170.9 | 171.1 | 176.4 | 0 | 109.4 | | |
| 29 | L | 51.3 | Low | 46.5 | Very low | 172 Ų | 172 | 126.6 Ų | 126.6 | 90% | 0.901 | 79% | 0.785 | S | S | * | * | | | trans | -101.8 | 127.8 | 157.8 | -80.7 | 164 | 0 | 0 | 0 | 107.4 | G27 | G27-L29 PolarHBondContact O-N 2.94Š|
| 30 | G | 42.9 | Very low | 46.6 | Very low | 62 Ų | 62 | 129.2 Ų | 129.2 | 64% | 0.639 | 79% | 0.788 | S | S | * | * | | | trans | -55.3 | 160.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | D32 | G30-D32 PolarHBondContact O-N 3.03Š|
| 31 | T | 48.2 | Very low | 46.5 | Very low | 121 Ų | 121 | 134.7 Ų | 134.7 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | G | 310 helix | trans | -60.7 | 8.9 | -171 | 41.5 | 0 | 0 | 0 | 0 | 116.8 | | |
| 32 | D | 50.7 | Low | 46.6 | Very low | 157 Ų | 157 | 134.4 Ų | 134.4 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | G | 310 helix | trans | -95 | -0.3 | -167.9 | -67.6 | -8.6 | 0 | 0 | 0 | 114.5 | G30 | G30-D32 PolarHBondContact O-N 3.03Š|
| 33 | A | 50 | Low | 46.5 | Very low | 75 Ų | 75 | 138.4 Ų | 138.4 | 62% | 0.62 | 80% | 0.797 | S | S | * | * | G | 310 helix | trans | -101.5 | 12.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | A35 | A33-A35 PolarHBondContact O-N 2.76Š|
| 34 | L | 49.9 | Very low | 46.3 | Very low | 163 Ų | 163 | 139.7 Ų | 139.7 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -5.8 | -178.1 | -84.9 | 166.6 | 0 | 0 | 0 | 114.7 | | |
| 35 | A | 45.2 | Very low | 46.5 | Very low | 95 Ų | 95 | 139.2 Ų | 139.2 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.2 | 7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | A33 G37 | A33-A35 PolarHBondContact O-N 2.76Å; A35-G37 PolarHBondContact O-N 3.31Å |
| 36 | V | 48.3 | Very low | 46.9 | Very low | 130 Ų | 130 | 136.9 Ų | 136.9 | 79% | 0.788 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -81.2 | 97 | 166.4 | -172.5 | 0 | 0 | 0 | 0 | 106.5 | A38 | V36-A38 PolarHBondContact O-N 3.23Š|
| 37 | G | 37.4 | Very low | 46.9 | Very low | 58 Ų | 58 | 142.5 Ų | 142.5 | 60% | 0.598 | 79% | 0.789 | S | S | * | * | | | trans | -38.3 | 135.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A35 S39 | A35-G37 PolarHBondContact O-N 3.31Å; G37-S39 PolarHBondContact O-N 2.8Å |
| 38 | A | 47.7 | Very low | 47.4 | Very low | 107 Ų | 107 | 144.2 Ų | 144.2 | 88% | 0.884 | 79% | 0.785 | S | S | * | * | | | trans | -57.9 | 71 | 156 | 0 | 0 | 0 | 0 | 0 | 108.2 | V36 R40 | V36-A38 PolarHBondContact O-N 3.23Å; A38-R40 VanDerWaalsContact C-N 3.32Å; A38-R40 PolarHBondContact O-N 3.19Å |
| 39 | S | 42.7 | Very low | 47.2 | Very low | 97 Ų | 97 | 142 Ų | 142 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | | | trans | -53.5 | 108.6 | 155.8 | -171.2 | 0 | 0 | 0 | 0 | 103.3 | G37 R41 | G37-S39 PolarHBondContact O-N 2.8Å; S39-R41 PolarHBondContact O-N 2.63Å |
| 40 | R | 46 | Very low | 47 | Very low | 230 Ų | 230 | 138.3 Ų | 138.3 | 87% | 0.868 | 77% | 0.771 | S | S | * | * | | | trans | -35.3 | 109.8 | 177 | -90.6 | 170.6 | 157.9 | 164 | -7.2 | 107 | A38 E42 | A38-R40 VanDerWaalsContact C-N 3.32Å; A38-R40 PolarHBondContact O-N 3.19Å; R40-E42 VanDerWaalsContact C-N 3.35Å; R40-E42 PolarHBondContact O-N 3.08Å |
| 41 | R | 44.9 | Very low | 47.2 | Very low | 230 Ų | 230 | 144 Ų | 144 | 87% | 0.868 | 78% | 0.781 | S | S | * | * | | | trans | -49.7 | 104.8 | -179.2 | -71.8 | 177 | -177.6 | 165.9 | 0.1 | 106.8 | S39 F43 | S39-R41 PolarHBondContact O-N 2.63Å; R41-F43 WeakPolarHBondContact O-CD2 3.47Å; R41-F43 PolarHBondContact O-N 3.17Å |
| 42 | E | 49.3 | Very low | 47.3 | Very low | 167 Ų | 167 | 143 Ų | 143 | 78% | 0.78 | 79% | 0.785 | S | S | * | * | | | trans | -61.6 | 109.3 | 172.8 | -70.1 | 175.9 | 175.3 | 0 | 0 | 105.1 | R40 M44 | R40-E42 VanDerWaalsContact C-N 3.35Å; R40-E42 PolarHBondContact O-N 3.08Å; E42-M44 PolarHBondContact O-N 3.49Å |
| 43 | F | 42 | Very low | 46.9 | Very low | 204 Ų | 204 | 140.3 Ų | 140.3 | 90% | 0.895 | 78% | 0.778 | S | S | * | * | | | trans | -60.9 | 108.1 | 175.5 | -74.7 | -94.5 | 0 | 0 | 0 | 107.2 | R41 S45 | R41-F43 WeakPolarHBondContact O-CD2 3.47Å; R41-F43 PolarHBondContact O-N 3.17Å; F43-S45 PolarHBondContact O-N 3.08Å |
| 44 | M | 44.5 | Very low | 46.6 | Very low | 174 Ų | 174 | 145.9 Ų | 145.9 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | | | trans | -75.5 | 108.8 | 172 | -70.2 | -157.9 | 175.9 | 0 | 0 | 108.5 | E42 F46 | E42-M44 PolarHBondContact O-N 3.49Å; M44-F46 PolarHBondContact O-N 3.03Å |
| 45 | S | 45.5 | Very low | 46.4 | Very low | 101 Ų | 101 | 143.5 Ų | 143.5 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | | | trans | -61.4 | 120.7 | 168.2 | 57.1 | 0 | 0 | 0 | 0 | 109.4 | F43 | F43-S45 PolarHBondContact O-N 3.08Š|
| 46 | F | 59.1 | Low | 46.5 | Very low | 157 Ų | 157 | 146.3 Ų | 146.3 | 69% | 0.689 | 79% | 0.785 | S | S | * | * | | | trans | -96.1 | 140.3 | 171.3 | 58.9 | -86.2 | 0 | 0 | 0 | 110 | M44 V48 | M44-F46 PolarHBondContact O-N 3.03Å; F46-V48 HydrophobicContact CD2-CG2 3.9Å; F46-V48 HydrophobicContact CE2-CG2 3.57Å; F46-V48 PolarHBondContact O-N 3.5Å |
| 47 | K | 46.1 | Very low | 46.2 | Very low | 202 Ų | 202 | 143.2 Ų | 143.2 | 88% | 0.878 | 77% | 0.766 | S | S | * | * | | | trans | -78.4 | 111.7 | 177.2 | -88.4 | 177.2 | 174.2 | 173.8 | 0 | 109.9 | L49 | K47-L49 PolarHBondContact O-N 3.12Š|
| 48 | V | 52.5 | Low | 46.8 | Very low | 109 Ų | 109 | 146.4 Ų | 146.4 | 66% | 0.661 | 78% | 0.776 | S | S | * | * | | | trans | -77.2 | 115.4 | 169.7 | 179.9 | 0 | 0 | 0 | 0 | 108.9 | F46 S50 | F46-V48 HydrophobicContact CD2-CG2 3.9Å; F46-V48 HydrophobicContact CE2-CG2 3.57Å; F46-V48 PolarHBondContact O-N 3.5Å; V48-S50 PolarHBondContact O-N 3.02Å |
| 49 | L | 46 | Very low | 46.7 | Very low | 171 Ų | 171 | 144.2 Ų | 144.2 | 90% | 0.895 | 76% | 0.764 | S | S | * | * | | | trans | -83.6 | 89.6 | 169 | -64.1 | 170.4 | 0 | 0 | 0 | 107.7 | K47 | K47-L49 PolarHBondContact O-N 3.12Š|
| 50 | S | 48.6 | Very low | 47.1 | Very low | 94 Ų | 94 | 145.5 Ų | 145.5 | 66% | 0.657 | 76% | 0.763 | S | S | * | * | | | trans | -86.8 | 110.1 | 179.4 | 173.5 | 0 | 0 | 0 | 0 | 110.5 | V48 A52 | V48-S50 PolarHBondContact O-N 3.02Å; S50-A52 PolarHBondContact O-N 3.2Å |
| 51 | E | 46.4 | Very low | 47.2 | Very low | 183 Ų | 183 | 140.8 Ų | 140.8 | 86% | 0.855 | 75% | 0.749 | S | S | * | * | | | trans | -60.6 | 128 | 162.1 | -70.6 | 179.7 | 161.6 | 0 | 0 | 108.8 | S53 | E51-S53 PolarHBondContact O-N 3.38Š|
| 52 | A | 49.6 | Very low | 47 | Very low | 100 Ų | 100 | 137.6 Ų | 137.6 | 83% | 0.826 | 74% | 0.744 | S | S | * | * | | | trans | -59.4 | 107.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | S50 | S50-A52 PolarHBondContact O-N 3.2Š|
| 53 | S | 43.1 | Very low | 46.8 | Very low | 99 Ų | 99 | 135.4 Ų | 135.4 | 69% | 0.692 | 74% | 0.744 | S | S | * | * | | | trans | -90.8 | 107.9 | 163.5 | 33.8 | 0 | 0 | 0 | 0 | 107.6 | E51 V55 | E51-S53 PolarHBondContact O-N 3.38Å; S53-V55 VanDerWaalsContact O-N 3.08Å; S53-V55 PolarHBondContact O-N 3.42Å |
| 54 | E | 44 | Very low | 47 | Very low | 193 Ų | 193 | 131 Ų | 131 | 90% | 0.902 | 73% | 0.733 | S | S | * | * | | | trans | -62.9 | 105.3 | 170.5 | -76.9 | 177.8 | 156.9 | 0 | 0 | 108.5 | D56 | E54-D56 PolarHBondContact O-N 3.45Š|
| 55 | V | 45.7 | Very low | 47.2 | Very low | 112 Ų | 112 | 132.9 Ų | 132.9 | 68% | 0.679 | 74% | 0.737 | S | S | * | * | | | trans | -89.3 | 103.7 | 170.1 | -175.5 | 0 | 0 | 0 | 0 | 107.3 | S53 V57 | S53-V55 VanDerWaalsContact O-N 3.08Å; S53-V55 PolarHBondContact O-N 3.42Å; V55-V57 HydrophobicContact CB-CG2 4.48Å; V55-V57 HydrophobicContact CG1-CG2 3.75Å; V55-V57 PolarHBondContact O-N 3.08Å; V55-V57 VanDerWaalsContact O-N 3.08Å |
| 56 | D | 46.7 | Very low | 47.2 | Very low | 154 Ų | 154 | 131.6 Ų | 131.6 | 82% | 0.824 | 74% | 0.74 | S | S | * | * | | | trans | -72.7 | 93.7 | 174.5 | -164.2 | 5.8 | 0 | 0 | 0 | 109.1 | E54 P58 | E54-D56 PolarHBondContact O-N 3.45Å; D56-P58 WeakPolarHBondContact O-CD 3.03Å |
| 57 | V | 41.9 | Very low | 46.3 | Very low | 66 Ų | 66 | 132.9 Ų | 132.9 | 40% | 0.4 | 74% | 0.74 | S | S | . | * | | | trans | -92.8 | 104.6 | 179.4 | -175 | 0 | 0 | 0 | 0 | 109.4 | V55 G59 L60 | V55-V57 HydrophobicContact CB-CG2 4.48Å; V55-V57 HydrophobicContact CG1-CG2 3.75Å; V55-V57 PolarHBondContact O-N 3.08Å; V55-V57 VanDerWaalsContact O-N 3.08Å; V57-G59 PolarHBondContact O-N 3.37Å; V57-L60 HydrophobicContact CB-CB 4.34Å; V57-L60 HydrophobicContact CG1-CB 4.26Å; V57-L60 PolarHBondContact O-N 3.31Å |
| 58 | P | 51.3 | Low | 45.8 | Very low | 124 Ų | 124 | 132.5 Ų | 132.5 | 81% | 0.805 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | 123.2 | 177.9 | 21.8 | -30.9 | 0 | 0 | 0 | 110.7 | D56 | D56-P58 WeakPolarHBondContact O-CD 3.03Š|
| 59 | G | 45.5 | Very low | 45.5 | Very low | 61 Ų | 61 | 132.9 Ų | 132.9 | 63% | 0.629 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 101.8 | -12.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116 | V57 | V57-G59 PolarHBondContact O-N 3.37Š|
| 60 | L | 50.4 | Low | 45.2 | Very low | 125 Ų | 125 | 127.7 Ų | 127.7 | 65% | 0.654 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -28.9 | 179 | -148.6 | 80 | 0 | 0 | 0 | 112.8 | V57 | V57-L60 HydrophobicContact CB-CB 4.34Å; V57-L60 HydrophobicContact CG1-CB 4.26Å; V57-L60 PolarHBondContact O-N 3.31Å |
| 61 | F | 47.4 | Very low | 44.8 | Very low | 131 Ų | 131 | 129.9 Ų | 129.9 | 58% | 0.575 | 75% | 0.745 | S | S | * | * | | | trans | -121.1 | 68.4 | -178 | -52.1 | -77.2 | 0 | 0 | 0 | 109.8 | P63 W77 | F61-P63 WeakPolarHBondContact O-CD 3.18Å; F61-W77 HydrophobicContact CD1-CH2 4.49Å; F61-W77 HydrophobicContact CE1-CZ3 3.7Å; F61-W77 AromaticContact CE1-CZ3 3.7Å; F61-W77 HydrophobicContact CE1-CH2 4.13Å; F61-W77 HydrophobicContact CD1-CZ3 3.99Å; F61-W77 AromaticContact CD1-CZ3 3.99Å |
| 62 | Q | 42.2 | Very low | 44.4 | Very low | 163 Ų | 163 | 125.1 Ų | 125.1 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | | | trans | -71.2 | 112.9 | 163.1 | -73 | -169.1 | -11 | 0 | 0 | 107.5 | V64 | Q62-V64 PolarHBondContact O-N 3.44Å; Q62-V64 VanDerWaalsContact O-N 3.09Å |
| 63 | P | 43.5 | Very low | 44.1 | Very low | 120 Ų | 120 | 124 Ų | 124 | 78% | 0.779 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 119.4 | 173.6 | 25.5 | -32.7 | 0 | 0 | 0 | 107.7 | F61 K65 | F61-P63 WeakPolarHBondContact O-CD 3.18Å; P63-K65 PolarHBondContact O-N 3.37Å; P63-K65 VanDerWaalsContact O-N 3.12Å |
| 64 | V | 47.4 | Very low | 44 | Very low | 111 Ų | 111 | 127.5 Ų | 127.5 | 67% | 0.673 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 120.3 | -179.3 | -168.8 | 0 | 0 | 0 | 0 | 107.9 | Q62 G66 W67 | Q62-V64 PolarHBondContact O-N 3.44Å; Q62-V64 VanDerWaalsContact O-N 3.09Å; V64-G66 VanDerWaalsContact O-N 3.1Å; V64-G66 PolarHBondContact O-N 3.36Å; V64-W67 PolarHBondContact O-N 2.94Å |
| 65 | K | 49.1 | Very low | 43.8 | Very low | 214 Ų | 214 | 120 Ų | 120 | 93% | 0.93 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52 | 118.4 | 175.6 | -82 | -179.5 | 177.5 | 176.3 | 0 | 109 | P63 | P63-K65 PolarHBondContact O-N 3.37Å; P63-K65 VanDerWaalsContact O-N 3.12Å |
| 66 | G | 44.1 | Very low | 43.4 | Very low | 75 Ų | 75 | 125 Ų | 125 | 77% | 0.773 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 123.5 | -9.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115 | V64 K68 | V64-G66 VanDerWaalsContact O-N 3.1Å; V64-G66 PolarHBondContact O-N 3.36Å; G66-K68 PolarHBondContact O-N 3.03Å |
| 67 | W | 40 | Very low | 43.2 | Very low | 184 Ų | 184 | 127.6 Ų | 127.6 | 70% | 0.697 | 72% | 0.72 | S | S | * | * | | | trans | -85.4 | 102.3 | 174.1 | -89.5 | 16.5 | 0 | 0 | 0 | 111.6 | V64 A69 C73 | V64-W67 PolarHBondContact O-N 2.94Å; W67-A69 PolarHBondContact O-N 3.02Å; W67-C73 HydrophobicContact CH2-CB 4Å; W67-C73 HydrophobicContact CZ2-CB 4.3Å; W67-C73 HydrophobicContact CZ3-CB 4.49Å |
| 68 | K | 36.4 | Very low | 43.1 | Very low | 193 Ų | 193 | 135.2 Ų | 135.2 | 84% | 0.839 | 74% | 0.741 | S | S | * | * | | | trans | -62.4 | 128.5 | 161.3 | -80.7 | -174.4 | 175.1 | -179.3 | 0 | 107.7 | G66 G70 | G66-K68 PolarHBondContact O-N 3.03Å; K68-G70 PolarHBondContact O-N 3.25Å |
| 69 | A | 46.1 | Very low | 42.6 | Very low | 118 Ų | 118 | 138.8 Ų | 138.8 | 98% | 0.975 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | 20.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | W67 | W67-A69 PolarHBondContact O-N 3.02Š|
| 70 | G | 40.7 | Very low | 42.6 | Very low | 61 Ų | 61 | 140 Ų | 140 | 63% | 0.629 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.9 | -26.5 | -171 | 0 | 0 | 0 | 0 | 0 | 115.7 | K68 | K68-G70 PolarHBondContact O-N 3.25Š|
| 71 | D | 38.8 | Very low | 41.9 | Very low | 141 Ų | 141 | 142.2 Ų | 142.2 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -115.2 | 86.3 | -170.3 | -71.7 | -37.8 | 0 | 0 | 0 | 110.7 | C73 | D71-C73 WeakPolarHBondContact O-CB 3.45Å; D71-C73 PolarHBondContact O-N 2.94Å; D71-C73 PolarHBondContact O-SG 2.97Å |
| 72 | G | 39.6 | Very low | 41.3 | Very low | 82 Ų | 82 | 147.6 Ų | 147.6 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | | | trans | 18.5 | 33.3 | 145.7 | 0 | 0 | 0 | 0 | 0 | 121.8 | L74 | G72-L74 PolarHBondContact O-N 2.82Š|
| 73 | C | 41.5 | Very low | 41 | Very low | 78 Ų | 78 | 145.1 Ų | 145.1 | 53% | 0.527 | 77% | 0.768 | S | S | . | * | | | trans | -91.2 | 89.5 | -176.9 | -70.8 | 0 | 0 | 0 | 0 | 109.5 | W67 D71 G75 | W67-C73 HydrophobicContact CH2-CB 4Å; W67-C73 HydrophobicContact CZ2-CB 4.3Å; W67-C73 HydrophobicContact CZ3-CB 4.49Å; D71-C73 WeakPolarHBondContact O-CB 3.45Å; D71-C73 PolarHBondContact O-N 2.94Å; D71-C73 PolarHBondContact O-SG 2.97Å; C73-G75 PolarHBondContact O-N 2.78Å |
| 74 | L | 41.8 | Very low | 40.6 | Very low | 171 Ų | 171 | 150.4 Ų | 150.4 | 90% | 0.895 | 79% | 0.788 | S | S | * | * | | | trans | -57.9 | 42 | 133.1 | -72.4 | 162.6 | 0 | 0 | 0 | 110.4 | G72 R76 | G72-L74 PolarHBondContact O-N 2.82Å; L74-R76 PolarHBondContact O-N 2.88Å |
| 75 | G | 39 | Very low | 40.2 | Very low | 35 Ų | 35 | 152.4 Ų | 152.4 | 36% | 0.361 | 79% | 0.794 | S | S | . | * | | | trans | -79.6 | 106.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | C73 W77 | C73-G75 PolarHBondContact O-N 2.78Å; G75-W77 PolarHBondContact O-N 2.99Å |
| 76 | R | 38.2 | Very low | 39.8 | Very low | 219 Ų | 219 | 149.1 Ų | 149.1 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | | | trans | 12.9 | 99 | 164.4 | -79.4 | -178.3 | 178.3 | -177.5 | -0.4 | 113.4 | L74 R78 | L74-R76 PolarHBondContact O-N 2.88Å; R76-R78 PolarHBondContact O-N 3.25Å |
| 77 | W | 42.3 | Very low | 39.5 | Very low | 207 Ų | 207 | 153.2 Ų | 153.2 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | | | trans | -51.4 | 95 | 157.5 | -58.4 | 91 | 0 | 0 | 0 | 107.8 | F61 G75 F79 | F61-W77 HydrophobicContact CD1-CH2 4.49Å; F61-W77 HydrophobicContact CE1-CZ3 3.7Å; F61-W77 AromaticContact CE1-CZ3 3.7Å; F61-W77 HydrophobicContact CE1-CH2 4.13Å; F61-W77 HydrophobicContact CD1-CZ3 3.99Å; F61-W77 AromaticContact CD1-CZ3 3.99Å; G75-W77 PolarHBondContact O-N 2.99Å; W77-F79 PolarHBondContact O-N 2.64Å |
| 78 | R | 40 | Very low | 39.5 | Very low | 226 Ų | 226 | 151.4 Ų | 151.4 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | | | trans | -73.9 | 96.3 | 163.7 | -67.9 | -145.9 | -171.8 | -166.6 | 5.4 | 104 | R76 A80 | R76-R78 PolarHBondContact O-N 3.25Å; R78-A80 PolarHBondContact O-N 3.41Å |
| 79 | F | 40.2 | Very low | 39.7 | Very low | 199 Ų | 199 | 148.8 Ų | 148.8 | 87% | 0.873 | 79% | 0.79 | S | S | * | * | | | trans | -48.3 | 113.2 | 157.9 | -129 | -96.4 | 0 | 0 | 0 | 104.6 | W77 E81 | W77-F79 PolarHBondContact O-N 2.64Å; F79-E81 VanDerWaalsContact C-N 3.32Å; F79-E81 PolarHBondContact O-N 3.07Å |
| 80 | A | 45.2 | Very low | 39.3 | Very low | 86 Ų | 86 | 150.9 Ų | 150.9 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | | | trans | -57.1 | 107.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 104.5 | R78 R82 | R78-A80 PolarHBondContact O-N 3.41Å; A80-R82 PolarHBondContact O-N 3.06Å |
| 81 | E | 37.5 | Very low | 39.2 | Very low | 173 Ų | 173 | 157.3 Ų | 157.3 | 81% | 0.808 | 79% | 0.788 | S | S | * | * | | | trans | -46.1 | 113.6 | 164.6 | -93.5 | 175.7 | 146 | 0 | 0 | 104.9 | F79 V83 | F79-E81 VanDerWaalsContact C-N 3.32Å; F79-E81 PolarHBondContact O-N 3.07Å; E81-V83 HydrophobicContact CB-CG2 4.3Å; E81-V83 PolarHBondContact O-N 3.05Å |
| 82 | R | 34.7 | Very low | 39.2 | Very low | 244 Ų | 244 | 158.5 Ų | 158.5 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | | | trans | -66.2 | 88.8 | 163.5 | -127.3 | -178.5 | -160.9 | 165.6 | 4.5 | 104.2 | A80 L84 | A80-R82 PolarHBondContact O-N 3.06Å; R82-L84 PolarHBondContact O-N 2.87Å |
| 83 | V | 34.6 | Very low | 39.2 | Very low | 111 Ų | 111 | 164.9 Ų | 164.9 | 67% | 0.673 | 79% | 0.786 | S | S | * | * | | | trans | -64 | 113.9 | 162.8 | 172.7 | 0 | 0 | 0 | 0 | 104.8 | E81 | E81-V83 HydrophobicContact CB-CG2 4.3Å; E81-V83 PolarHBondContact O-N 3.05Å |
| 84 | L | 35.3 | Very low | 39 | Very low | 230 Ų | 230 | 172.8 Ų | 172.8 | 100% | 1.204 | 81% | 0.81 | S | S | * | * | | | trans | 88 | 0 | 170.7 | -54.3 | 162.8 | 0 | 0 | 0 | 117.3 | R82 | R82-L84 PolarHBondContact O-N 2.87Š|