| 1 | M | 30.1 | Very low | 29.2 | Very low | 238 Ų | 238 | 167.3 Ų | 167.3 | 100% | 1.172 | 88% | 0.878 | S | S | * | * | | | | 0 | 119.1 | 0 | -77.1 | 178.3 | 173.7 | 0 | 0 | 107.6 | | |
| 2 | T | 30.6 | Very low | 29.2 | Very low | 135 Ų | 135 | 165.3 Ų | 165.3 | 83% | 0.828 | 87% | 0.868 | S | S | * | * | | | trans | -74.4 | 123.6 | -175.7 | 39.3 | 0 | 0 | 0 | 0 | 110.7 | N4 | T2-N4 PolarHBondContact O-N 3.09Å; T2-N4 VanDerWaalsContact O-N 3.16Å |
| 3 | F | 30.9 | Very low | 29.3 | Very low | 206 Ų | 206 | 163.2 Ų | 163.2 | 90% | 0.904 | 86% | 0.858 | S | S | * | * | | | trans | -76.1 | 91.5 | 173.7 | -83.7 | -90.8 | 0 | 0 | 0 | 110 | | |
| 4 | N | 28.2 | Very low | 29.3 | Very low | 138 Ų | 138 | 162.5 Ų | 162.5 | 74% | 0.738 | 86% | 0.855 | S | S | * | * | | | trans | -118.4 | 144.4 | 159 | -76.7 | -17.5 | 0 | 0 | 0 | 107.3 | T2 | T2-N4 PolarHBondContact O-N 3.09Å; T2-N4 VanDerWaalsContact O-N 3.16Å |
| 5 | N | 28.4 | Very low | 29.3 | Very low | 157 Ų | 157 | 163.2 Ų | 163.2 | 84% | 0.84 | 85% | 0.852 | S | S | * | * | | | trans | 107.7 | 71.6 | 174.7 | -52.3 | -10.9 | 0 | 0 | 0 | 114.7 | | |
| 6 | T | 33.1 | Very low | 29.2 | Very low | 148 Ų | 148 | 163.1 Ų | 163.1 | 91% | 0.908 | 85% | 0.853 | S | S | * | * | | | trans | -136.4 | 53.4 | 148.8 | 34.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 7 | E | 28.9 | Very low | 29.3 | Very low | 182 Ų | 182 | 162.3 Ų | 162.3 | 85% | 0.85 | 85% | 0.848 | S | S | * | * | | | trans | -109.9 | 84.2 | 158.6 | -72.9 | -173 | 173.8 | 0 | 0 | 106.7 | | |
| 8 | H | 29.5 | Very low | 29.4 | Very low | 187 Ų | 187 | 161.8 Ų | 161.8 | 87% | 0.866 | 85% | 0.845 | S | S | * | * | | | trans | -172.8 | 56.3 | 162.8 | -97.3 | -60.8 | 0 | 0 | 0 | 110.5 | | |
| 9 | L | 28.4 | Very low | 29.3 | Very low | 175 Ų | 175 | 158.3 Ų | 158.3 | 92% | 0.916 | 84% | 0.836 | S | S | * | * | | | trans | -140.3 | 50.8 | 159 | -71.8 | 177.9 | 0 | 0 | 0 | 109.1 | | |
| 10 | N | 25.3 | Very low | 29.4 | Very low | 168 Ų | 168 | 158.3 Ų | 158.3 | 90% | 0.898 | 83% | 0.834 | S | S | * | * | | | trans | -118.7 | 83.1 | 166.3 | -78.8 | -21.1 | 0 | 0 | 0 | 107 | | |
| 11 | S | 28.2 | Very low | 29.3 | Very low | 106 Ų | 106 | 156.6 Ų | 156.6 | 74% | 0.741 | 83% | 0.826 | S | S | * | * | | | trans | 169.7 | 86.9 | 162 | 167.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 12 | L | 29.4 | Very low | 29.3 | Very low | 143 Ų | 143 | 155.1 Ų | 155.1 | 75% | 0.749 | 81% | 0.813 | S | S | * | * | S | Bend | | -175.2 | 101.3 | 125.7 | -129.1 | 75.2 | 0 | 0 | 0 | 108.4 | D14 | L12-D14 PolarHBondContact O-N 2.73Š|
| 13 | D | 30.2 | Very low | 29.1 | Very low | 138 Ų | 138 | 155.7 Ų | 155.7 | 74% | 0.738 | 81% | 0.81 | S | S | * | * | | | trans | 48.4 | 62.4 | 139.9 | -56.3 | -25 | 0 | 0 | 0 | 119.2 | Q15 | D13-Q15 PolarHBondContact O-N 2.74Š|
| 14 | D | 28.6 | Very low | 29.1 | Very low | 154 Ų | 154 | 150.7 Ų | 150.7 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | | | trans | -74.4 | 65.2 | 153.1 | -75.9 | -34.7 | 0 | 0 | 0 | 110.1 | L12 | L12-D14 PolarHBondContact O-N 2.73Š|
| 15 | Q | 29.3 | Very low | 29.3 | Very low | 173 Ų | 173 | 151.4 Ų | 151.4 | 81% | 0.808 | 80% | 0.801 | S | S | * | * | | | trans | -94.7 | 12.2 | 170.5 | -97.4 | -168.9 | 9.5 | 0 | 0 | 114 | D13 I17 | D13-Q15 PolarHBondContact O-N 2.74Å; Q15-I17 PolarHBondContact O-N 3.23Å |
| 16 | D | 28.2 | Very low | 29.2 | Very low | 162 Ų | 162 | 152 Ų | 152 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | | | trans | -90.8 | 46.6 | 169.1 | -75 | -18.6 | 0 | 0 | 0 | 111.8 | L18 | D16-L18 PolarHBondContact O-N 3Š|
| 17 | I | 30.6 | Very low | 29.2 | Very low | 149 Ų | 149 | 151.7 Ų | 151.7 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | | | trans | -76.2 | 84.4 | 166.9 | -58.1 | 178.4 | 0 | 0 | 0 | 107.5 | Q15 S19 | Q15-I17 PolarHBondContact O-N 3.23Å; I17-S19 PolarHBondContact O-N 3.37Å |
| 18 | L | 30.8 | Very low | 29.3 | Very low | 153 Ų | 153 | 154 Ų | 154 | 80% | 0.801 | 79% | 0.792 | S | S | * | * | | | trans | 15.2 | 81.5 | 149.1 | -74 | 156.9 | 0 | 0 | 0 | 113.1 | D16 I20 | D16-L18 PolarHBondContact O-N 3Å; L18-I20 VanDerWaalsContact C-N 3.32Å; L18-I20 PolarHBondContact O-N 3.03Å |
| 19 | S | 28.3 | Very low | 29.5 | Very low | 95 Ų | 95 | 153.2 Ų | 153.2 | 66% | 0.664 | 79% | 0.786 | S | S | * | * | | | trans | -56.2 | 102.3 | 158.8 | 45.7 | 0 | 0 | 0 | 0 | 106.9 | I17 N21 | I17-S19 PolarHBondContact O-N 3.37Å; S19-N21 PolarHBondContact O-N 2.94Å |
| 20 | I | 31.1 | Very low | 29.3 | Very low | 158 Ų | 158 | 154.1 Ų | 154.1 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | | | trans | -64.9 | 91.3 | 170.6 | -60.7 | 173.2 | 0 | 0 | 0 | 105.2 | L18 K22 | L18-I20 VanDerWaalsContact C-N 3.32Å; L18-I20 PolarHBondContact O-N 3.03Å; I20-K22 PolarHBondContact O-N 2.83Å |
| 21 | N | 28.1 | Very low | 29.5 | Very low | 124 Ų | 124 | 155.1 Ų | 155.1 | 66% | 0.663 | 78% | 0.778 | S | S | * | * | | | trans | -51.6 | 114.7 | 171.2 | -79.4 | -31.5 | 0 | 0 | 0 | 106.9 | S19 L23 | S19-N21 PolarHBondContact O-N 2.94Å; N21-L23 PolarHBondContact O-N 2.8Å |
| 22 | K | 28.4 | Very low | 29.3 | Very low | 206 Ų | 206 | 159.5 Ų | 159.5 | 90% | 0.896 | 79% | 0.787 | S | S | * | * | | | trans | -59.9 | 81.5 | 167.2 | -73.2 | 177.1 | 178.3 | 175.3 | 0 | 107.3 | I20 P24 | I20-K22 PolarHBondContact O-N 2.83Å; K22-P24 WeakPolarHBondContact O-CD 3.35Å |
| 23 | L | 27 | Very low | 29.4 | Very low | 147 Ų | 147 | 161.2 Ų | 161.2 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | | | trans | -66 | 120.4 | 169.5 | -84.9 | 162.4 | 0 | 0 | 0 | 106.8 | N21 I25 | N21-L23 PolarHBondContact O-N 2.8Å; L23-I25 PolarHBondContact O-N 3.05Å; L23-I25 VanDerWaalsContact O-N 3.17Å |
| 24 | P | 30.8 | Very low | 29.2 | Very low | 102 Ų | 102 | 161.7 Ų | 161.7 | 66% | 0.662 | 79% | 0.791 | S | S | * | * | | | trans | -65.4 | 118 | 177.3 | 25.4 | -29.6 | 0 | 0 | 0 | 108.1 | K22 H26 | K22-P24 WeakPolarHBondContact O-CD 3.35Å; P24-H26 PolarHBondContact O-N 2.95Å; P24-H26 VanDerWaalsContact O-N 3.09Å |
| 25 | I | 33.5 | Very low | 29.1 | Very low | 153 Ų | 153 | 159.7 Ų | 159.7 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | | | trans | -66.3 | 108.5 | 172.8 | -62.2 | 170.1 | 0 | 0 | 0 | 106 | L23 D27 | L23-I25 PolarHBondContact O-N 3.05Å; L23-I25 VanDerWaalsContact O-N 3.17Å; I25-D27 PolarHBondContact O-N 3.03Å |
| 26 | H | 26.3 | Very low | 28.9 | Very low | 169 Ų | 169 | 156.9 Ų | 156.9 | 78% | 0.782 | 79% | 0.785 | S | S | * | * | | | trans | -64 | 102.5 | 167.8 | -80.5 | -79.8 | 0 | 0 | 0 | 108.2 | P24 R28 | P24-H26 PolarHBondContact O-N 2.95Å; P24-H26 VanDerWaalsContact O-N 3.09Å; H26-R28 PolarHBondContact O-N 3.17Å |
| 27 | D | 32.8 | Very low | 28.8 | Very low | 141 Ų | 141 | 156.6 Ų | 156.6 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | | | trans | -59.6 | 99.7 | 166.2 | -92.8 | -26.3 | 0 | 0 | 0 | 108.5 | I25 F29 | I25-D27 PolarHBondContact O-N 3.03Å; D27-F29 PolarHBondContact O-N 3.01Å |
| 28 | R | 30.5 | Very low | 28.6 | Very low | 232 Ų | 232 | 156.5 Ų | 156.5 | 88% | 0.875 | 78% | 0.783 | S | S | * | * | | | trans | -77.3 | 31.1 | 176.7 | -102.6 | -171.2 | -163.5 | -174.1 | 5.2 | 113.3 | H26 | H26-R28 PolarHBondContact O-N 3.17Š|
| 29 | F | 33.2 | Very low | 28.3 | Very low | 170 Ų | 170 | 154.4 Ų | 154.4 | 75% | 0.746 | 78% | 0.782 | S | S | * | * | | | trans | -125 | 80.8 | 172.7 | -65.2 | -72.8 | 0 | 0 | 0 | 108.1 | D27 Y31 | D27-F29 PolarHBondContact O-N 3.01Å; F29-Y31 PolarHBondContact O-N 2.86Å |
| 30 | E | 25.4 | Very low | 28.3 | Very low | 194 Ų | 194 | 156.8 Ų | 156.8 | 91% | 0.907 | 79% | 0.786 | S | S | * | * | | | trans | -61.6 | 83.5 | 158.8 | -72.3 | -174.5 | 169.3 | 0 | 0 | 107.8 | | |
| 31 | Y | 28.8 | Very low | 28.1 | Very low | 188 Ų | 188 | 158.3 Ų | 158.3 | 74% | 0.737 | 79% | 0.787 | S | S | * | * | | | trans | -86.4 | 102.4 | 160.3 | -112.1 | -88.4 | 0 | 0 | 0 | 106.3 | F29 K33 | F29-Y31 PolarHBondContact O-N 2.86Å; Y31-K33 VanDerWaalsContact C-N 3.27Å; Y31-K33 PolarHBondContact O-N 2.9Å |
| 32 | E | 24.9 | Very low | 28.3 | Very low | 198 Ų | 198 | 160.6 Ų | 160.6 | 93% | 0.925 | 80% | 0.798 | S | S | * | * | | | trans | -55.2 | 94.4 | 161.1 | -78 | -171.8 | 146.4 | 0 | 0 | 108.5 | | |
| 33 | K | 30.2 | Very low | 28.2 | Very low | 179 Ų | 179 | 159.5 Ų | 159.5 | 78% | 0.778 | 79% | 0.793 | S | S | * | * | | | trans | -110.6 | 104.9 | 165.3 | -91.3 | -177.3 | 176.4 | 175.3 | 0 | 107.8 | Y31 | Y31-K33 VanDerWaalsContact C-N 3.27Å; Y31-K33 PolarHBondContact O-N 2.9Å |
| 34 | N | 26.3 | Very low | 28.3 | Very low | 149 Ų | 149 | 161.3 Ų | 161.3 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | | | trans | -35.1 | 130.5 | 168.7 | -92.4 | -39.3 | 0 | 0 | 0 | 112.1 | C36 | N34-C36 PolarHBondContact O-N 2.8Š|
| 35 | P | 27.3 | Very low | 28.3 | Very low | 112 Ų | 112 | 162.8 Ų | 162.8 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | trans | -78.2 | 87.6 | -175.3 | 32.6 | -33.3 | 0 | 0 | 0 | 109.7 | N37 | P35-N37 VanDerWaalsContact C-N 3.31Å; P35-N37 PolarHBondContact O-N 3.3Å |
| 36 | C | 25.4 | Very low | 28.1 | Very low | 114 Ų | 114 | 161.7 Ų | 161.7 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | | | trans | -73.5 | 94.2 | 160.6 | -75.3 | 0 | 0 | 0 | 0 | 108.2 | N34 L38 | N34-C36 PolarHBondContact O-N 2.8Å; C36-L38 PolarHBondContact O-N 2.93Å |
| 37 | N | 24.5 | Very low | 28.4 | Very low | 155 Ų | 155 | 162.3 Ų | 162.3 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | | | trans | -46.9 | 100.1 | 167.5 | -85 | -42.5 | 0 | 0 | 0 | 111.2 | P35 | P35-N37 VanDerWaalsContact C-N 3.31Å; P35-N37 PolarHBondContact O-N 3.3Å |
| 38 | L | 27.9 | Very low | 28.2 | Very low | 147 Ų | 147 | 162.9 Ų | 162.9 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | | | trans | -126.1 | 79.8 | 161.8 | -81.4 | 166.4 | 0 | 0 | 0 | 108.5 | C36 L40 | C36-L38 PolarHBondContact O-N 2.93Å; L38-L40 VanDerWaalsContact C-N 3.32Å; L38-L40 PolarHBondContact O-N 2.98Å |
| 39 | S | 24 | Very low | 28.2 | Very low | 110 Ų | 110 | 162.7 Ų | 162.7 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | | | trans | -64.8 | 89.9 | 164.3 | 179.6 | 0 | 0 | 0 | 0 | 109 | | |
| 40 | L | 28.5 | Very low | 27.9 | Very low | 144 Ų | 144 | 162.8 Ų | 162.8 | 75% | 0.754 | 80% | 0.799 | S | S | * | * | | | trans | -111.8 | 95.4 | 167.7 | -97.3 | 154.1 | 0 | 0 | 0 | 108.3 | L38 L42 | L38-L40 VanDerWaalsContact C-N 3.32Å; L38-L40 PolarHBondContact O-N 2.98Å; L40-L42 PolarHBondContact O-N 2.9Å |
| 41 | K | 27.3 | Very low | 28.2 | Very low | 190 Ų | 190 | 160.6 Ų | 160.6 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | | | trans | -50.3 | 96.6 | 171.7 | -71.2 | 174.4 | 175.5 | 175 | 0 | 110.2 | K43 | K41-K43 PolarHBondContact O-N 2.76Š|
| 42 | L | 31 | Very low | 28.3 | Very low | 173 Ų | 173 | 160.4 Ų | 160.4 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | | | trans | -69.2 | 95.6 | 167.5 | -101.6 | 143.4 | 0 | 0 | 0 | 108.6 | L40 K44 | L40-L42 PolarHBondContact O-N 2.9Å; L42-K44 PolarHBondContact O-N 2.77Å |
| 43 | K | 27.7 | Very low | 28.6 | Very low | 182 Ų | 182 | 155.8 Ų | 155.8 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | | | trans | -59.4 | 120.5 | 168.2 | -89.4 | 178.4 | 172.3 | 177.6 | 0 | 108.9 | K41 N45 | K41-K43 PolarHBondContact O-N 2.76Å; K43-N45 PolarHBondContact O-N 3.28Å |
| 44 | K | 28.8 | Very low | 28.7 | Very low | 186 Ų | 186 | 154.7 Ų | 154.7 | 81% | 0.809 | 79% | 0.786 | S | S | * | * | | | trans | -55.3 | 101.4 | 168.6 | -77.5 | 175.3 | 172.1 | 176.1 | 0 | 110 | L42 N46 | L42-K44 PolarHBondContact O-N 2.77Å; K44-N46 PolarHBondContact O-N 3.07Å |
| 45 | N | 31.2 | Very low | 28.9 | Very low | 132 Ų | 132 | 153 Ų | 153 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | | | trans | -90.5 | 93.9 | 163 | -78.3 | -5.9 | 0 | 0 | 0 | 108.2 | K43 F47 | K43-N45 PolarHBondContact O-N 3.28Å; N45-F47 HydrophobicContact CB-CD2 4.26Å; N45-F47 HydrophobicContact CB-CE2 4.2Å; N45-F47 PolarHBondContact O-N 2.96Å; N45-F47 VanDerWaalsContact O-N 3.1Å |
| 46 | N | 28.7 | Very low | 29.1 | Very low | 130 Ų | 130 | 152 Ų | 152 | 70% | 0.695 | 78% | 0.781 | S | S | * | * | | | trans | -68.2 | 93.8 | 169.8 | -72.5 | -21.9 | 0 | 0 | 0 | 109.3 | K44 N48 | K44-N46 PolarHBondContact O-N 3.07Å; N46-N48 PolarHBondContact O-N 2.99Å |
| 47 | F | 32.9 | Very low | 29.3 | Very low | 183 Ų | 183 | 154.9 Ų | 154.9 | 80% | 0.803 | 79% | 0.789 | S | S | * | * | | | trans | -96.8 | 70.7 | 162.9 | -78.3 | -75 | 0 | 0 | 0 | 109.5 | N45 R49 | N45-F47 HydrophobicContact CB-CD2 4.26Å; N45-F47 HydrophobicContact CB-CE2 4.2Å; N45-F47 PolarHBondContact O-N 2.96Å; N45-F47 VanDerWaalsContact O-N 3.1Å; F47-R49 VanDerWaalsContact C-N 3.32Å; F47-R49 PolarHBondContact O-N 2.91Å; F47-R49 VanDerWaalsContact O-N 3.14Å |
| 48 | N | 27.9 | Very low | 29.6 | Very low | 153 Ų | 153 | 152.3 Ų | 152.3 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | trans | -78.3 | 87 | 162.9 | -74.2 | -12.3 | 0 | 0 | 0 | 107.7 | N46 | N46-N48 PolarHBondContact O-N 2.99Š|
| 49 | R | 30.3 | Very low | 29.6 | Very low | 228 Ų | 228 | 151.6 Ų | 151.6 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | | | trans | -105.4 | 94.6 | 166.7 | -147.1 | 175.9 | -172.7 | 179.9 | 1.4 | 107.6 | F47 I51 | F47-R49 VanDerWaalsContact C-N 3.32Å; F47-R49 PolarHBondContact O-N 2.91Å; F47-R49 VanDerWaalsContact O-N 3.14Å; R49-I51 PolarHBondContact O-N 3.08Å |
| 50 | E | 27.7 | Very low | 29.9 | Very low | 172 Ų | 172 | 152 Ų | 152 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | -59 | 102.9 | 173.1 | -71.6 | 178.4 | 166.3 | 0 | 0 | 109.4 | K52 | E50-K52 PolarHBondContact O-N 2.87Š|
| 51 | I | 31.1 | Very low | 29.8 | Very low | 148 Ų | 148 | 153.2 Ų | 153.2 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | | | trans | -77.9 | 101 | 167 | -60.8 | 173.9 | 0 | 0 | 0 | 105.9 | R49 S53 | R49-I51 PolarHBondContact O-N 3.08Å; I51-S53 PolarHBondContact O-N 2.9Å |
| 52 | K | 30 | Very low | 29.9 | Very low | 183 Ų | 183 | 149.2 Ų | 149.2 | 80% | 0.796 | 79% | 0.785 | S | S | * | * | | | trans | -66.6 | 83.7 | 164.4 | -73.6 | -178 | 178.8 | 178.2 | 0 | 108.1 | E50 I54 | E50-K52 PolarHBondContact O-N 2.87Å; K52-I54 PolarHBondContact O-N 2.82Å |
| 53 | S | 32.5 | Very low | 29.8 | Very low | 102 Ų | 102 | 146.6 Ų | 146.6 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | | | trans | -72.3 | 96 | 173 | 52 | 0 | 0 | 0 | 0 | 108.8 | I51 S55 | I51-S53 PolarHBondContact O-N 2.9Å; S53-S55 PolarHBondContact O-N 3.16Å |
| 54 | I | 31.4 | Very low | 29.9 | Very low | 155 Ų | 155 | 145.9 Ų | 145.9 | 80% | 0.795 | 78% | 0.784 | S | S | * | * | | | trans | -66.5 | 124.7 | 160.5 | -64.5 | 169.8 | 0 | 0 | 0 | 106 | K52 S56 | K52-I54 PolarHBondContact O-N 2.82Å; I54-S56 PolarHBondContact O-N 3.11Å |
| 55 | S | 31.2 | Very low | 30.1 | Very low | 113 Ų | 113 | 142.2 Ų | 142.2 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | | | trans | -59.9 | 101.9 | -176.3 | 55.9 | 0 | 0 | 0 | 0 | 111.1 | S53 | S53-S55 PolarHBondContact O-N 3.16Š|
| 56 | S | 30.9 | Very low | 30.2 | Very low | 92 Ų | 92 | 145.9 Ų | 145.9 | 64% | 0.643 | 79% | 0.792 | S | S | * | * | | | trans | -127.3 | 122 | 153.8 | 57.6 | 0 | 0 | 0 | 0 | 107.1 | I54 V58 | I54-S56 PolarHBondContact O-N 3.11Å; S56-V58 PolarHBondContact O-N 3.29Å |
| 57 | D | 29.7 | Very low | 30.2 | Very low | 174 Ų | 174 | 148.7 Ų | 148.7 | 93% | 0.93 | 80% | 0.8 | S | S | * | * | | | trans | -72.4 | 43.6 | -176 | -73.3 | -33.6 | 0 | 0 | 0 | 112.5 | | |
| 58 | V | 31.2 | Very low | 30.1 | Very low | 101 Ų | 101 | 149.1 Ų | 149.1 | 61% | 0.612 | 80% | 0.802 | S | S | * | * | | | trans | -124.6 | 93.4 | -179.7 | -171.2 | 0 | 0 | 0 | 0 | 107.7 | S56 T60 | S56-V58 PolarHBondContact O-N 3.29Å; V58-T60 VanDerWaalsContact C-N 3.34Å; V58-T60 HydrophobicContact CG1-CG2 4.27Å; V58-T60 PolarHBondContact O-N 2.83Å |
| 59 | C | 28 | Very low | 30.2 | Very low | 133 Ų | 133 | 148.7 Ų | 148.7 | 90% | 0.899 | 80% | 0.798 | S | S | * | * | | | trans | -68.1 | 92.4 | 168.8 | -73.9 | 0 | 0 | 0 | 0 | 109 | L61 | C59-L61 PolarHBondContact O-N 3.05Š|
| 60 | T | 29.4 | Very low | 30.1 | Very low | 117 Ų | 117 | 143.4 Ų | 143.4 | 72% | 0.718 | 79% | 0.792 | S | S | * | * | | | trans | -78.3 | 109.8 | 166.3 | 35.2 | 0 | 0 | 0 | 0 | 109 | V58 S62 | V58-T60 VanDerWaalsContact C-N 3.34Å; V58-T60 HydrophobicContact CG1-CG2 4.27Å; V58-T60 PolarHBondContact O-N 2.83Å; T60-S62 PolarHBondContact O-N 3.04Å; T60-S62 VanDerWaalsContact O-N 3.08Å |
| 61 | L | 27.5 | Very low | 30.3 | Very low | 171 Ų | 171 | 143.9 Ų | 143.9 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | | | trans | -72.5 | 94.7 | 167.3 | -75.2 | 163.5 | 0 | 0 | 0 | 108 | C59 S63 | C59-L61 PolarHBondContact O-N 3.05Å; L61-S63 PolarHBondContact O-N 2.69Å |
| 62 | S | 28.7 | Very low | 30.1 | Very low | 105 Ų | 105 | 144.4 Ų | 144.4 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | | | trans | -77.8 | 110.4 | 170 | 48.1 | 0 | 0 | 0 | 0 | 109.5 | T60 I64 | T60-S62 PolarHBondContact O-N 3.04Å; T60-S62 VanDerWaalsContact O-N 3.08Å; S62-I64 PolarHBondContact O-N 2.95Å |
| 63 | S | 28.8 | Very low | 30 | Very low | 119 Ų | 119 | 140.3 Ų | 140.3 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | | | trans | -65.5 | 113.9 | 169.9 | -58.4 | 0 | 0 | 0 | 0 | 109.2 | L61 S65 | L61-S63 PolarHBondContact O-N 2.69Å; S63-S65 PolarHBondContact O-N 3.31Å; S63-S65 VanDerWaalsContact O-N 3.15Å |
| 64 | I | 30.2 | Very low | 29.6 | Very low | 166 Ų | 166 | 141.3 Ų | 141.3 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | | | trans | -63.9 | 111.4 | 175.1 | -62.6 | 164.4 | 0 | 0 | 0 | 107.9 | S62 | S62-I64 PolarHBondContact O-N 2.95Š|
| 65 | S | 32.6 | Very low | 29.5 | Very low | 110 Ų | 110 | 141 Ų | 141 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 143.3 | 172.9 | 51.3 | 0 | 0 | 0 | 0 | 110.4 | S63 E67 | S63-S65 PolarHBondContact O-N 3.31Å; S63-S65 VanDerWaalsContact O-N 3.15Å; S65-E67 PolarHBondContact O-N 3.33Å |
| 66 | K | 32.8 | Very low | 29.2 | Very low | 208 Ų | 208 | 142.7 Ų | 142.7 | 90% | 0.904 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 125.1 | -169.3 | -68.2 | 171 | 177.2 | 176.1 | 0 | 112.7 | K68 | K66-K68 PolarHBondContact O-N 2.71Š|
| 67 | E | 29.6 | Very low | 29.2 | Very low | 189 Ų | 189 | 145.7 Ų | 145.7 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 128.2 | 172.2 | -158.6 | 168.4 | -166.6 | 0 | 0 | 110.3 | S65 I69 | S65-E67 PolarHBondContact O-N 3.33Å; E67-I69 PolarHBondContact O-N 2.93Å |
| 68 | K | 31.3 | Very low | 29 | Very low | 193 Ų | 193 | 144.3 Ų | 144.3 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | | | trans | -70 | 107.5 | -172.9 | -159.7 | 176.7 | -173.2 | -178.7 | 0 | 108.6 | K66 T70 | K66-K68 PolarHBondContact O-N 2.71Å; K68-T70 PolarHBondContact O-N 2.99Å |
| 69 | I | 29.1 | Very low | 29 | Very low | 143 Ų | 143 | 150 Ų | 150 | 73% | 0.733 | 80% | 0.804 | S | S | * | * | | | trans | -65.1 | 103.8 | 173 | -58.4 | 172.2 | 0 | 0 | 0 | 107.7 | E67 K71 | E67-I69 PolarHBondContact O-N 2.93Å; I69-K71 VanDerWaalsContact C-N 3.32Å; I69-K71 HydrophobicContact CG2-CG 3.82Å; I69-K71 PolarHBondContact O-N 3.31Å |
| 70 | T | 28.2 | Very low | 28.9 | Very low | 118 Ų | 118 | 153.2 Ų | 153.2 | 72% | 0.724 | 81% | 0.806 | S | S | * | * | | | trans | -69.9 | 88.7 | 167.1 | 50.5 | 0 | 0 | 0 | 0 | 108.4 | K68 N72 | K68-T70 PolarHBondContact O-N 2.99Å; T70-N72 PolarHBondContact O-N 3.04Å |
| 71 | K | 31.6 | Very low | 28.8 | Very low | 181 Ų | 181 | 151.2 Ų | 151.2 | 79% | 0.787 | 81% | 0.808 | S | S | * | * | | | trans | -78.8 | 97.1 | 165.5 | -71.2 | -172.3 | 178.6 | -179.1 | 0 | 107.8 | I69 S73 | I69-K71 VanDerWaalsContact C-N 3.32Å; I69-K71 HydrophobicContact CG2-CG 3.82Å; I69-K71 PolarHBondContact O-N 3.31Å; K71-S73 PolarHBondContact O-N 3.43Å |
| 72 | N | 26.6 | Very low | 28.7 | Very low | 159 Ų | 159 | 150.3 Ų | 150.3 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | | | trans | -72.2 | 102.7 | 155.7 | -67.3 | -14.5 | 0 | 0 | 0 | 106.5 | T70 | T70-N72 PolarHBondContact O-N 3.04Š|
| 73 | S | 28.9 | Very low | 28.7 | Very low | 97 Ų | 97 | 151.6 Ų | 151.6 | 68% | 0.678 | 80% | 0.801 | S | S | * | * | | | trans | -145.2 | 94.5 | 155.6 | -157.3 | 0 | 0 | 0 | 0 | 106.1 | K71 D75 | K71-S73 PolarHBondContact O-N 3.43Å; S73-D75 PolarHBondContact O-N 2.87Å |
| 74 | T | 24 | Very low | 28.5 | Very low | 123 Ų | 123 | 153.3 Ų | 153.3 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | | | trans | -36.4 | 125.2 | 145 | 11.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 75 | D | 29 | Very low | 28.6 | Very low | 150 Ų | 150 | 150.3 Ų | 150.3 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | | | trans | -163.6 | 125.8 | 133.9 | -85 | -26.6 | 0 | 0 | 0 | 108.7 | S73 | S73-D75 PolarHBondContact O-N 2.87Š|
| 76 | N | 24.6 | Very low | 28.5 | Very low | 147 Ų | 147 | 150.3 Ų | 150.3 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | | | trans | -60.6 | 130.4 | -176.4 | -62 | -42.4 | 0 | 0 | 0 | 111.4 | | |
| 77 | I | 30.9 | Very low | 28.2 | Very low | 155 Ų | 155 | 148.6 Ų | 148.6 | 80% | 0.795 | 80% | 0.796 | S | S | * | * | | | trans | -140.5 | 112.5 | 146.1 | -56.7 | -178.3 | 0 | 0 | 0 | 107.5 | Y79 | I77-Y79 PolarHBondContact O-N 2.75Š|
| 78 | D | 25.6 | Very low | 28.2 | Very low | 145 Ų | 145 | 150.8 Ų | 150.8 | 78% | 0.775 | 80% | 0.797 | S | S | * | * | | | trans | -59.9 | 124.9 | 172.4 | -62.7 | -50.9 | 0 | 0 | 0 | 110.9 | | |
| 79 | Y | 32.1 | Very low | 28 | Very low | 222 Ų | 222 | 149.3 Ų | 149.3 | 87% | 0.871 | 80% | 0.796 | S | S | * | * | | | trans | -147.3 | 107.7 | 149.7 | -99.5 | -77.6 | 0 | 0 | 0 | 109 | I77 | I77-Y79 PolarHBondContact O-N 2.75Š|
| 80 | E | 24.8 | Very low | 28 | Very low | 200 Ų | 200 | 149.2 Ų | 149.2 | 94% | 0.935 | 80% | 0.796 | S | S | * | * | | | trans | -62 | 137.3 | 163.8 | -71.5 | -174.8 | 136.7 | 0 | 0 | 110.5 | | |
| 81 | G | 29 | Very low | 28.3 | Very low | 74 Ų | 74 | 148.8 Ų | 148.8 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | | | trans | -179.9 | 37.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 82 | N | 24.9 | Very low | 28.5 | Very low | 153 Ų | 153 | 150.9 Ų | 150.9 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | 50 | 130.8 | 137.8 | -128.6 | -1.1 | 0 | 0 | 0 | 122.9 | | |
| 83 | I | 28.2 | Very low | 28.8 | Very low | 131 Ų | 131 | 151.6 Ų | 151.6 | 67% | 0.672 | 80% | 0.798 | S | S | * | * | | | trans | 89.2 | 94.7 | 148.4 | -35.8 | 178.1 | 0 | 0 | 0 | 120.5 | | |
| 84 | N | 25.6 | Very low | 29.3 | Very low | 155 Ų | 155 | 152.7 Ų | 152.7 | 83% | 0.829 | 80% | 0.801 | S | S | * | * | | | | 34 | 111 | 129.2 | -55.4 | -22.5 | 0 | 0 | 0 | 120.3 | | |
| 85 | A | 32 | Very low | 29.8 | Very low | 104 Ų | 104 | 153.5 Ų | 153.5 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | | | trans | -167.1 | 108.8 | 130.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 86 | S | 29.2 | Very low | 30.4 | Very low | 109 Ų | 109 | 151.5 Ų | 151.5 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | | | trans | -60.7 | 142 | 174.8 | -39.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 87 | E | 26.8 | Very low | 30.7 | Very low | 172 Ų | 172 | 152.4 Ų | 152.4 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | trans | 49.7 | 95.4 | 137.6 | -64.4 | 179.6 | 153.8 | 0 | 0 | 118.5 | | |
| 88 | R | 29.9 | Very low | 30.9 | Very low | 236 Ų | 236 | 152.8 Ų | 152.8 | 89% | 0.891 | 79% | 0.794 | S | S | * | * | | | trans | -136.3 | 92.8 | 134.7 | -89.4 | -168.1 | -176.4 | 179.4 | 1.6 | 110.1 | L90 | R88-L90 PolarHBondContact O-N 3.14Š|
| 89 | I | 26.7 | Very low | 31.6 | Very low | 162 Ų | 162 | 150.9 Ų | 150.9 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | | | trans | -70.1 | 104.3 | 159.9 | -62.2 | 165.9 | 0 | 0 | 0 | 106.2 | | |
| 90 | L | 29.6 | Very low | 31.9 | Very low | 141 Ų | 141 | 146.2 Ų | 146.2 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | | | trans | -102.5 | 127 | 161.8 | -102.4 | 150.9 | 0 | 0 | 0 | 107.1 | R88 Y92 | R88-L90 PolarHBondContact O-N 3.14Å; L90-Y92 PolarHBondContact O-N 2.88Å |
| 91 | P | 34.8 | Very low | 32.3 | Very low | 109 Ų | 109 | 146 Ų | 146 | 71% | 0.708 | 77% | 0.774 | S | S | * | * | | | trans | -70.4 | 124.1 | -173.3 | 28.8 | -31.7 | 0 | 0 | 0 | 109.5 | E93 | P91-E93 PolarHBondContact O-N 2.92Š|
| 92 | Y | 34.8 | Very low | 32.5 | Very low | 224 Ų | 224 | 147.4 Ų | 147.4 | 88% | 0.878 | 77% | 0.772 | S | S | * | * | | | trans | -63.6 | 102.7 | 170.4 | -110 | -93 | 0 | 0 | 0 | 108.5 | L90 T94 | L90-Y92 PolarHBondContact O-N 2.88Å; Y92-T94 PolarHBondContact O-N 2.99Å |
| 93 | E | 34.6 | Very low | 33.2 | Very low | 175 Ų | 175 | 150.9 Ų | 150.9 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | -57.8 | 103.4 | 164.9 | -77.2 | 179.2 | 145.2 | 0 | 0 | 108.3 | P91 D95 | P91-E93 PolarHBondContact O-N 2.92Å; E93-D95 PolarHBondContact O-N 2.87Å |
| 94 | T | 38.2 | Very low | 33.5 | Very low | 120 Ų | 120 | 151.7 Ų | 151.7 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | | | trans | -74.3 | 102.7 | 164.5 | 42.5 | 0 | 0 | 0 | 0 | 107.5 | Y92 V96 | Y92-T94 PolarHBondContact O-N 2.99Å; T94-V96 VanDerWaalsContact C-N 3.29Å; T94-V96 WeakPolarHBondContact O-CG2 3.12Å; T94-V96 PolarHBondContact O-N 2.86Å |
| 95 | D | 34.6 | Very low | 34.1 | Very low | 139 Ų | 139 | 153 Ų | 153 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | | | trans | -57.7 | 90.7 | 167.3 | -82.4 | -31 | 0 | 0 | 0 | 109.8 | E93 M97 | E93-D95 PolarHBondContact O-N 2.87Å; D95-M97 PolarHBondContact O-N 3.28Å |
| 96 | V | 41.1 | Very low | 34.6 | Very low | 108 Ų | 108 | 152.9 Ų | 152.9 | 66% | 0.655 | 77% | 0.769 | S | S | * | * | | | trans | -74.6 | 95.5 | 174.1 | -177.9 | 0 | 0 | 0 | 0 | 107.4 | T94 Q98 | T94-V96 VanDerWaalsContact C-N 3.29Å; T94-V96 WeakPolarHBondContact O-CG2 3.12Å; T94-V96 PolarHBondContact O-N 2.86Å; V96-Q98 VanDerWaalsContact C-N 3.31Å; V96-Q98 HydrophobicContact CG1-CG 4.24Å; V96-Q98 PolarHBondContact O-N 3.17Å |
| 97 | M | 32.4 | Very low | 35 | Very low | 166 Ų | 166 | 155.5 Ų | 155.5 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | -61.6 | 90.6 | 169 | -71.8 | -79.8 | 148.1 | 0 | 0 | 109.5 | D95 T99 | D95-M97 PolarHBondContact O-N 3.28Å; M97-T99 PolarHBondContact O-N 3.04Å |
| 98 | Q | 34.5 | Very low | 35.6 | Very low | 163 Ų | 163 | 156 Ų | 156 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | | | trans | -76 | 111.5 | 172.7 | -81 | -177.3 | -8.4 | 0 | 0 | 109.8 | V96 T100 | V96-Q98 VanDerWaalsContact C-N 3.31Å; V96-Q98 HydrophobicContact CG1-CG 4.24Å; V96-Q98 PolarHBondContact O-N 3.17Å; Q98-T100 PolarHBondContact O-N 2.84Å |
| 99 | T | 39.8 | Very low | 36.2 | Very low | 106 Ų | 106 | 153.2 Ų | 153.2 | 65% | 0.65 | 77% | 0.771 | S | S | * | * | | | trans | -88.6 | 97.4 | 166.7 | 55.5 | 0 | 0 | 0 | 0 | 109.2 | M97 Y101 | M97-T99 PolarHBondContact O-N 3.04Å; T99-Y101 WeakPolarHBondContact O-CD2 3.17Å; T99-Y101 PolarHBondContact O-N 3.38Å |
| 100 | T | 37.7 | Very low | 37.1 | Very low | 123 Ų | 123 | 150.7 Ų | 150.7 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | | | trans | -77 | 115.4 | 175.8 | -54.1 | 0 | 0 | 0 | 0 | 109.9 | Q98 | Q98-T100 PolarHBondContact O-N 2.84Š|
| 101 | Y | 34.9 | Very low | 37.7 | Very low | 197 Ų | 197 | 148.8 Ų | 148.8 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | | | trans | -89.1 | 107.7 | 173.1 | -66.8 | -87.3 | 0 | 0 | 0 | 109.7 | T99 R103 | T99-Y101 WeakPolarHBondContact O-CD2 3.17Å; T99-Y101 PolarHBondContact O-N 3.38Å; Y101-R103 PolarHBondContact O-N 2.83Å |
| 102 | S | 32 | Very low | 38.3 | Very low | 102 Ų | 102 | 148.9 Ų | 148.9 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | | | trans | -67.2 | 117.2 | 167.4 | -81 | 0 | 0 | 0 | 0 | 109.9 | D104 | S102-D104 PolarHBondContact O-N 3.36Š|
| 103 | R | 40.9 | Very low | 38.6 | Very low | 226 Ų | 226 | 146.2 Ų | 146.2 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | | | trans | -86.8 | 78.1 | 176.3 | -74.9 | -174.3 | 176.8 | 171 | 1.1 | 110.4 | Y101 F105 | Y101-R103 PolarHBondContact O-N 2.83Å; R103-F105 PolarHBondContact O-N 2.98Å |
| 104 | D | 34.4 | Very low | 39.1 | Very low | 149 Ų | 149 | 144 Ų | 144 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | | | trans | -80.7 | 66.2 | 164.4 | -64.8 | -29.1 | 0 | 0 | 0 | 109.6 | S102 | S102-D104 PolarHBondContact O-N 3.36Š|
| 105 | F | 38 | Very low | 39.2 | Very low | 183 Ų | 183 | 142.7 Ų | 142.7 | 80% | 0.803 | 76% | 0.758 | S | S | * | * | | | trans | -106.1 | 109.3 | 169.9 | -80.6 | -77.6 | 0 | 0 | 0 | 109.3 | R103 N107 | R103-F105 PolarHBondContact O-N 2.98Å; F105-N107 PolarHBondContact O-N 2.61Å |
| 106 | P | 41.1 | Very low | 39.5 | Very low | 101 Ų | 101 | 143.7 Ų | 143.7 | 66% | 0.656 | 76% | 0.763 | S | S | * | * | | | trans | -62.7 | 133.4 | 173.7 | 25.3 | -31.2 | 0 | 0 | 0 | 108.8 | K108 | P106-K108 PolarHBondContact O-N 2.83Š|
| 107 | N | 37.9 | Very low | 39.8 | Very low | 164 Ų | 164 | 149.2 Ų | 149.2 | 88% | 0.877 | 77% | 0.772 | S | S | * | * | | | trans | -58.7 | 71.1 | -174 | -158.8 | 2.9 | 0 | 0 | 0 | 112.2 | F105 | F105-N107 PolarHBondContact O-N 2.61Š|
| 108 | K | 40.4 | Very low | 40.5 | Very low | 182 Ų | 182 | 147.2 Ų | 147.2 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | | | trans | -88 | 107 | 171.1 | -69.8 | -174 | -179 | -175.7 | 0 | 106.8 | P106 | P106-K108 PolarHBondContact O-N 2.83Š|
| 109 | Q | 42.4 | Very low | 41 | Very low | 177 Ų | 177 | 149.8 Ų | 149.8 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | | | trans | -43.4 | 140.3 | 174 | -69.1 | 179.7 | -15.6 | 0 | 0 | 110.5 | S111 | Q109-S111 VanDerWaalsContact C-N 3.35Å; Q109-S111 PolarHBondContact O-N 3.43Å |
| 110 | S | 46.2 | Very low | 41.2 | Very low | 110 Ų | 110 | 150.3 Ų | 150.3 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | | | trans | -52.6 | 90.7 | -171.4 | 54.2 | 0 | 0 | 0 | 0 | 111.9 | T112 | S110-T112 PolarHBondContact O-N 3.46Š|
| 111 | S | 42.3 | Very low | 41.7 | Very low | 100 Ų | 100 | 148.6 Ų | 148.6 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | | | trans | -68.9 | 100.2 | 173.7 | 51.8 | 0 | 0 | 0 | 0 | 107 | Q109 L113 | Q109-S111 VanDerWaalsContact C-N 3.35Å; Q109-S111 PolarHBondContact O-N 3.43Å; S111-L113 PolarHBondContact O-N 3.29Å |
| 112 | T | 47 | Very low | 42.4 | Very low | 111 Ų | 111 | 149.5 Ų | 149.5 | 68% | 0.681 | 77% | 0.773 | S | S | * | * | | | trans | -68.8 | 99.1 | 178 | -55.9 | 0 | 0 | 0 | 0 | 107.1 | S110 I114 | S110-T112 PolarHBondContact O-N 3.46Å; T112-I114 HydrophobicContact CG2-CD1 4.37Å; T112-I114 HydrophobicContact CG2-CG1 3.85Å; T112-I114 PolarHBondContact O-N 3.13Å |
| 113 | L | 41.3 | Very low | 42.9 | Very low | 169 Ų | 169 | 152.4 Ų | 152.4 | 89% | 0.885 | 78% | 0.775 | S | S | * | * | | | trans | -68.5 | 99.4 | 172.2 | -72.6 | 170.2 | 0 | 0 | 0 | 108.3 | S111 | S111-L113 PolarHBondContact O-N 3.29Š|
| 114 | I | 44.3 | Very low | 43.3 | Very low | 129 Ų | 129 | 144.6 Ų | 144.6 | 66% | 0.662 | 76% | 0.759 | S | S | * | * | | | trans | -92.8 | 115.2 | 173.9 | -56.6 | 174.1 | 0 | 0 | 0 | 108 | T112 L116 | T112-I114 HydrophobicContact CG2-CD1 4.37Å; T112-I114 HydrophobicContact CG2-CG1 3.85Å; T112-I114 PolarHBondContact O-N 3.13Å; I114-L116 PolarHBondContact O-N 2.88Å; I114-L116 VanDerWaalsContact O-N 3.14Å |
| 115 | A | 40 | Very low | 43.8 | Very low | 91 Ų | 91 | 146.1 Ų | 146.1 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | | | trans | -68.6 | 106.8 | 169 | 0 | 0 | 0 | 0 | 0 | 109.3 | R117 | A115-R117 PolarHBondContact O-N 3.5Š|
| 116 | L | 41 | Very low | 43.7 | Very low | 161 Ų | 161 | 144.5 Ų | 144.5 | 84% | 0.843 | 76% | 0.757 | S | S | * | * | | | trans | -68.7 | 103.1 | 171.7 | -65.6 | 174 | 0 | 0 | 0 | 108.3 | I114 | I114-L116 PolarHBondContact O-N 2.88Å; I114-L116 VanDerWaalsContact O-N 3.14Å |
| 117 | R | 47.6 | Very low | 43.6 | Very low | 224 Ų | 224 | 143.2 Ų | 143.2 | 85% | 0.845 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 136.6 | 168.4 | -70.5 | -172.5 | 177.4 | 102.2 | -0.3 | 108.1 | A115 R119 | A115-R117 PolarHBondContact O-N 3.5Å; R117-R119 PolarHBondContact O-N 3.27Å |
| 118 | P | 47.2 | Very low | 43.7 | Very low | 123 Ų | 123 | 141.1 Ų | 141.1 | 80% | 0.799 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 116.8 | 179.6 | -23.3 | 32.7 | 0 | 0 | 0 | 108.8 | S120 | P118-S120 PolarHBondContact O-N 3.04Å; P118-S120 VanDerWaalsContact O-N 3.16Å |
| 119 | R | 44 | Very low | 43.5 | Very low | 218 Ų | 218 | 138.4 Ų | 138.4 | 82% | 0.823 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 125.4 | 177.9 | -82.3 | 179 | 163.3 | 159.7 | -6.9 | 107.7 | R117 T121 | R117-R119 PolarHBondContact O-N 3.27Å; R119-T121 PolarHBondContact O-N 3.02Å |
| 120 | S | 44.6 | Very low | 43.3 | Very low | 116 Ų | 116 | 136.2 Ų | 136.2 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | | | trans | -32.6 | 104.1 | 173.6 | 174.9 | 0 | 0 | 0 | 0 | 110 | P118 R122 | P118-S120 PolarHBondContact O-N 3.04Å; P118-S120 VanDerWaalsContact O-N 3.16Å; S120-R122 PolarHBondContact O-N 3.19Å |
| 121 | T | 49 | Very low | 42.5 | Very low | 87 Ų | 87 | 139.8 Ų | 139.8 | 53% | 0.534 | 75% | 0.753 | S | S | . | * | | | trans | -76.9 | 76.3 | -176.6 | 44.3 | 0 | 0 | 0 | 0 | 107.7 | R119 H123 A124 | R119-T121 PolarHBondContact O-N 3.02Å; T121-H123 PolarHBondContact O-N 3.24Å; T121-A124 VanDerWaalsContact CB-CB 3.4Å; T121-A124 HydrophobicContact CG2-CB 4.18Å; T121-A124 PolarHBondContact O-N 3.29Å; T121-A124 VanDerWaalsContact OG1-CB 3.26Å; T121-A124 WeakPolarHBondContact OG1-CB 3.46Å |
| 122 | R | 49.4 | Very low | 42.1 | Very low | 216 Ų | 216 | 140.8 Ų | 140.8 | 82% | 0.815 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.7 | -10.4 | 172.3 | -142.4 | -178.4 | -166.7 | -144.1 | -0.8 | 112.3 | S120 | S120-R122 PolarHBondContact O-N 3.19Š|
| 123 | H | 42.6 | Very low | 41.6 | Very low | 164 Ų | 164 | 142.9 Ų | 142.9 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.6 | 9.3 | 179.8 | -59.6 | 1.9 | 0 | 0 | 0 | 114 | T121 F125 | T121-H123 PolarHBondContact O-N 3.24Å; H123-F125 VanDerWaalsContact C-N 3.28Å |
| 124 | A | 49.5 | Very low | 41.2 | Very low | 62 Ų | 62 | 139.7 Ų | 139.7 | 51% | 0.512 | 76% | 0.757 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.1 | -20.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | T121 | T121-A124 VanDerWaalsContact CB-CB 3.4Å; T121-A124 HydrophobicContact CG2-CB 4.18Å; T121-A124 PolarHBondContact O-N 3.29Å; T121-A124 VanDerWaalsContact OG1-CB 3.26Å; T121-A124 WeakPolarHBondContact OG1-CB 3.46Å |
| 125 | F | 43.1 | Very low | 40.6 | Very low | 181 Ų | 181 | 138.7 Ų | 138.7 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | | | trans | -110.9 | 80 | 175.6 | -56.1 | -74.6 | 0 | 0 | 0 | 108.5 | H123 A127 | H123-F125 VanDerWaalsContact C-N 3.28Å; F125-A127 PolarHBondContact O-N 3.19Å |
| 126 | I | 35.9 | Very low | 40.6 | Very low | 149 Ų | 149 | 140.4 Ų | 140.4 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | | | trans | -66.4 | 95.5 | 155.2 | -62.1 | 173.7 | 0 | 0 | 0 | 104.5 | | |
| 127 | A | 40.4 | Very low | 40.3 | Very low | 74 Ų | 74 | 140.1 Ų | 140.1 | 61% | 0.612 | 76% | 0.761 | S | S | * | * | | | trans | -58.2 | 128.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | F125 T129 | F125-A127 PolarHBondContact O-N 3.19Å; A127-T129 PolarHBondContact O-N 3.16Å; A127-T129 VanDerWaalsContact O-N 3.1Å |
| 128 | P | 40 | Very low | 39.5 | Very low | 119 Ų | 119 | 134.6 Ų | 134.6 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | | | trans | -54.9 | 121.5 | 179.3 | -21.7 | 30.6 | 0 | 0 | 0 | 109.2 | C130 | P128-C130 PolarHBondContact O-N 3.26Å; P128-C130 VanDerWaalsContact O-N 3.12Å |
| 129 | T | 36.5 | Very low | 39.1 | Very low | 125 Ų | 125 | 134.6 Ų | 134.6 | 77% | 0.767 | 76% | 0.758 | S | S | * | * | | | trans | -62.6 | 115.1 | 175.1 | 41.2 | 0 | 0 | 0 | 0 | 108.2 | A127 K131 | A127-T129 PolarHBondContact O-N 3.16Å; A127-T129 VanDerWaalsContact O-N 3.1Å; T129-K131 PolarHBondContact O-N 2.94Å |
| 130 | C | 37.2 | Very low | 38.6 | Very low | 131 Ų | 131 | 136 Ų | 136 | 89% | 0.885 | 76% | 0.763 | S | S | * | * | | | trans | -58.3 | 102.7 | 179.2 | -57.6 | 0 | 0 | 0 | 0 | 109.5 | P128 S132 | P128-C130 PolarHBondContact O-N 3.26Å; P128-C130 VanDerWaalsContact O-N 3.12Å; C130-S132 PolarHBondContact O-N 3.1Å |
| 131 | K | 30.5 | Very low | 38.1 | Very low | 186 Ų | 186 | 135.9 Ų | 135.9 | 81% | 0.809 | 76% | 0.758 | S | S | * | * | | | trans | -74.5 | 122.7 | 161.6 | -71.1 | -172.4 | 178.1 | -176.8 | 0 | 107.2 | T129 I133 | T129-K131 PolarHBondContact O-N 2.94Å; K131-I133 PolarHBondContact O-N 3.02Å |
| 132 | S | 33.8 | Very low | 37.9 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | | | trans | -62 | 100.3 | 177.7 | 49.7 | 0 | 0 | 0 | 0 | 110.2 | C130 S134 | C130-S132 PolarHBondContact O-N 3.1Å; S132-S134 PolarHBondContact O-N 3.07Å |
| 133 | I | 35.3 | Very low | 37.6 | Very low | 155 Ų | 155 | 133 Ų | 133 | 80% | 0.795 | 76% | 0.761 | S | S | * | * | | | trans | -88.4 | 103.6 | 168.2 | -69 | 173.2 | 0 | 0 | 0 | 106.9 | K131 T135 | K131-I133 PolarHBondContact O-N 3.02Å; I133-T135 PolarHBondContact O-N 3.11Å |
| 134 | S | 32.5 | Very low | 37.3 | Very low | 102 Ų | 102 | 132.2 Ų | 132.2 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | | | trans | -62.9 | 115.1 | 163.3 | 53.3 | 0 | 0 | 0 | 0 | 109.5 | S132 | S132-S134 PolarHBondContact O-N 3.07Š|
| 135 | T | 32.6 | Very low | 36.8 | Very low | 108 Ų | 108 | 136 Ų | 136 | 66% | 0.663 | 77% | 0.773 | S | S | * | * | | | trans | 167.4 | 120 | 131.4 | 31.9 | 0 | 0 | 0 | 0 | 108.8 | I133 N137 | I133-T135 PolarHBondContact O-N 3.11Å; T135-N137 PolarHBondContact O-N 3.35Å |
| 136 | P | 40.3 | Very low | 36.5 | Very low | 128 Ų | 128 | 135.5 Ų | 135.5 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | | | trans | -92.1 | 100.1 | -174.1 | 34.1 | -27.9 | 0 | 0 | 0 | 109.6 | S138 | P136-S138 PolarHBondContact O-N 3.1Š|
| 137 | N | 33.5 | Very low | 36.5 | Very low | 155 Ų | 155 | 135 Ų | 135 | 83% | 0.829 | 77% | 0.771 | S | S | * | * | | | trans | -88.8 | 96 | 174.3 | -76.8 | -17.1 | 0 | 0 | 0 | 110.9 | T135 | T135-N137 PolarHBondContact O-N 3.35Š|
| 138 | S | 32.5 | Very low | 36.5 | Very low | 107 Ų | 107 | 139.7 Ų | 139.7 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | | | trans | 56.7 | 102.7 | 139.9 | -161.5 | 0 | 0 | 0 | 0 | 117.8 | P136 R140 | P136-S138 PolarHBondContact O-N 3.1Å; S138-R140 PolarHBondContact O-N 3.5Å |
| 139 | C | 37.6 | Very low | 36.4 | Very low | 124 Ų | 124 | 140.3 Ų | 140.3 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | | | trans | -45.9 | 120.7 | 166.9 | -53.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 140 | R | 33.1 | Very low | 36.6 | Very low | 246 Ų | 246 | 139.7 Ų | 139.7 | 93% | 0.928 | 78% | 0.782 | S | S | * | * | | | trans | -73.3 | 130 | 163 | -73.1 | -174.7 | 178.8 | -177.3 | -0.5 | 108.4 | S138 | S138-R140 PolarHBondContact O-N 3.5Š|
| 141 | T | 34.8 | Very low | 36.9 | Very low | 115 Ų | 115 | 139.7 Ų | 139.7 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | | | trans | -61.6 | 143.5 | -174.3 | 33.2 | 0 | 0 | 0 | 0 | 112.7 | S143 | T141-S143 PolarHBondContact O-N 3.45Š|
| 142 | L | 46 | Very low | 37.3 | Very low | 155 Ų | 155 | 138.4 Ų | 138.4 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | G | 310 helix | trans | -63.7 | 6.2 | -171.6 | -142.5 | 101.9 | 0 | 0 | 0 | 115.9 | | |
| 143 | S | 41.1 | Very low | 37.3 | Very low | 87 Ų | 87 | 134.2 Ų | 134.2 | 61% | 0.608 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -80.1 | -12.9 | -171.4 | 45.4 | 0 | 0 | 0 | 0 | 114.6 | T141 | T141-S143 PolarHBondContact O-N 3.45Š|
| 144 | D | 37.6 | Very low | 38.1 | Very low | 147 Ų | 147 | 132.6 Ų | 132.6 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -95.4 | 3.6 | -179.3 | -62.9 | -7.8 | 0 | 0 | 0 | 113.2 | E146 | D144-E146 PolarHBondContact O-N 2.97Å; D144-E146 VanDerWaalsContact O-N 3.14Å |
| 145 | L | 39.7 | Very low | 38.5 | Very low | 141 Ų | 141 | 137.9 Ų | 137.9 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | | | trans | -85 | 71.3 | 162.4 | -86.7 | 134.1 | 0 | 0 | 0 | 107.9 | I147 | L145-I147 PolarHBondContact O-N 3.47Š|
| 146 | E | 35.2 | Very low | 38.7 | Very low | 171 Ų | 171 | 140.7 Ų | 140.7 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | | | trans | -57.7 | 90.8 | 159.8 | -71.8 | -175.4 | 168.2 | 0 | 0 | 107.8 | D144 L148 | D144-E146 PolarHBondContact O-N 2.97Å; D144-E146 VanDerWaalsContact O-N 3.14Å; E146-L148 PolarHBondContact O-N 3.41Å |
| 147 | I | 37.5 | Very low | 38.9 | Very low | 140 Ų | 140 | 138.6 Ų | 138.6 | 72% | 0.718 | 76% | 0.755 | S | S | * | * | | | trans | 8.4 | 82.4 | 144.4 | -52.3 | 171.1 | 0 | 0 | 0 | 110.9 | L145 N149 | L145-I147 PolarHBondContact O-N 3.47Å; I147-N149 PolarHBondContact O-N 3.36Å |
| 148 | L | 39.5 | Very low | 39.7 | Very low | 171 Ų | 171 | 138.1 Ų | 138.1 | 90% | 0.895 | 76% | 0.758 | S | S | * | * | | | trans | -64.2 | 97 | 160.3 | -81.8 | 163.4 | 0 | 0 | 0 | 105.4 | E146 S150 | E146-L148 PolarHBondContact O-N 3.41Å; L148-S150 PolarHBondContact O-N 2.89Å; L148-S150 VanDerWaalsContact O-N 3.16Å |
| 149 | N | 37.6 | Very low | 40 | Very low | 133 Ų | 133 | 142.5 Ų | 142.5 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | | | trans | -40.6 | 120.3 | 177.2 | -68.8 | -44.2 | 0 | 0 | 0 | 109.6 | I147 V151 | I147-N149 PolarHBondContact O-N 3.36Å; N149-V151 PolarHBondContact O-N 2.87Å |
| 150 | S | 40.6 | Very low | 40.2 | Very low | 111 Ų | 111 | 140.7 Ų | 140.7 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | | | trans | -59.7 | 99.9 | 173.6 | -55.6 | 0 | 0 | 0 | 0 | 108.1 | L148 D152 | L148-S150 PolarHBondContact O-N 2.89Å; L148-S150 VanDerWaalsContact O-N 3.16Å; S150-D152 PolarHBondContact O-N 3.46Å; S150-D152 VanDerWaalsContact O-N 3.08Å |
| 151 | V | 44.1 | Very low | 41 | Very low | 131 Ų | 131 | 135.2 Ų | 135.2 | 79% | 0.794 | 74% | 0.742 | S | S | * | * | | | trans | -70.1 | 103.4 | 172.5 | 176.6 | 0 | 0 | 0 | 0 | 106.4 | N149 G153 | N149-V151 PolarHBondContact O-N 2.87Å; V151-G153 VanDerWaalsContact C-N 3.34Å; V151-G153 PolarHBondContact O-N 2.97Å |
| 152 | D | 38.7 | Very low | 41.3 | Very low | 159 Ų | 159 | 135.5 Ų | 135.5 | 85% | 0.85 | 74% | 0.74 | S | S | * | * | | | trans | -60.1 | 94.4 | 170.7 | -90.3 | -27.4 | 0 | 0 | 0 | 109.2 | S150 | S150-D152 PolarHBondContact O-N 3.46Å; S150-D152 VanDerWaalsContact O-N 3.08Å |
| 153 | G | 34.4 | Very low | 41.1 | Very low | 32 Ų | 32 | 138.3 Ų | 138.3 | 33% | 0.33 | 74% | 0.741 | S | S | . | * | | | trans | -143.9 | 145.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | V151 Y155 | V151-G153 VanDerWaalsContact C-N 3.34Å; V151-G153 PolarHBondContact O-N 2.97Å; G153-Y155 PolarHBondContact O-N 3.18Å |
| 154 | P | 50.5 | Low | 41 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 79% | 0.792 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -70.2 | 11.4 | -171.7 | 30 | -35.7 | 0 | 0 | 0 | 114.2 | | |
| 155 | Y | 42.4 | Very low | 41 | Very low | 212 Ų | 212 | 135.9 Ų | 135.9 | 83% | 0.831 | 74% | 0.74 | S | S | * | * | | | trans | -113 | 57 | 178.9 | -54.8 | -70.9 | 0 | 0 | 0 | 110 | G153 S157 | G153-Y155 PolarHBondContact O-N 3.18Å; Y155-S157 PolarHBondContact O-N 3.4Å; Y155-S157 VanDerWaalsContact O-N 3.11Å |
| 156 | Q | 35.6 | Very low | 40.9 | Very low | 168 Ų | 168 | 134.3 Ų | 134.3 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | | | trans | -70.7 | 104.2 | 164.2 | -79.4 | -169.3 | -3.1 | 0 | 0 | 108.6 | T158 | Q156-T158 PolarHBondContact O-N 2.9Š|
| 157 | S | 46 | Very low | 41.1 | Very low | 84 Ų | 84 | 137.2 Ų | 137.2 | 59% | 0.587 | 74% | 0.744 | S | S | * | * | | | trans | -63.4 | 121.5 | 173.1 | 64.4 | 0 | 0 | 0 | 0 | 109.4 | Y155 Y159 | Y155-S157 PolarHBondContact O-N 3.4Å; Y155-S157 VanDerWaalsContact O-N 3.11Å; S157-Y159 PolarHBondContact O-N 3.41Å |
| 158 | T | 49.1 | Very low | 41.3 | Very low | 144 Ų | 144 | 137 Ų | 137 | 88% | 0.883 | 75% | 0.749 | S | S | * | * | | | trans | -70.3 | 22 | -178.6 | -27.8 | 0 | 0 | 0 | 0 | 113.8 | Q156 S160 | Q156-T158 PolarHBondContact O-N 2.9Å; T158-S160 PolarHBondContact O-N 3.25Å |
| 159 | Y | 39.5 | Very low | 41.3 | Very low | 199 Ų | 199 | 134.3 Ų | 134.3 | 78% | 0.78 | 74% | 0.741 | S | S | * | * | | | trans | -75.1 | 100.3 | 172.6 | -63.4 | -67.8 | 0 | 0 | 0 | 107.4 | S157 T161 | S157-Y159 PolarHBondContact O-N 3.41Å; Y159-T161 PolarHBondContact O-N 3.47Å |
| 160 | S | 41.8 | Very low | 41.5 | Very low | 86 Ų | 86 | 136.3 Ų | 136.3 | 60% | 0.601 | 75% | 0.747 | S | S | * | * | | | trans | -40.9 | 117.3 | 168.2 | -123.7 | 0 | 0 | 0 | 0 | 108.4 | T158 D162 | T158-S160 PolarHBondContact O-N 3.25Å; S160-D162 WeakPolarHBondContact CB-OD2 3.45Å; S160-D162 PolarHBondContact O-N 2.81Å; S160-D162 PolarHBondContact OG-OD2 3.21Å |
| 161 | T | 48.6 | Very low | 41.8 | Very low | 131 Ų | 131 | 134.9 Ų | 134.9 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | 9.1 | 173 | 43.4 | 0 | 0 | 0 | 0 | 112.6 | Y159 Y163 | Y159-T161 PolarHBondContact O-N 3.47Å; T161-Y163 PolarHBondContact O-N 3.32Å |
| 162 | D | 42.9 | Very low | 41.9 | Very low | 122 Ų | 122 | 137 Ų | 137 | 65% | 0.652 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | 2.2 | 179.8 | -51.2 | -41.4 | 0 | 0 | 0 | 113.2 | S160 V164 | S160-D162 WeakPolarHBondContact CB-OD2 3.45Å; S160-D162 PolarHBondContact O-N 2.81Å; S160-D162 PolarHBondContact OG-OD2 3.21Å; D162-V164 PolarHBondContact O-N 3.33Å |
| 163 | Y | 40 | Very low | 42 | Very low | 213 Ų | 213 | 133.2 Ų | 133.2 | 84% | 0.835 | 73% | 0.728 | S | S | * | * | | | trans | -76.2 | 56.7 | 162.1 | -122 | -87.6 | 0 | 0 | 0 | 110.1 | T161 G165 | T161-Y163 PolarHBondContact O-N 3.32Å; Y163-G165 PolarHBondContact O-N 3.02Å |
| 164 | V | 39.2 | Very low | 42.3 | Very low | 121 Ų | 121 | 137.2 Ų | 137.2 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | | | trans | -60.1 | 108.1 | 159.6 | 177.9 | 0 | 0 | 0 | 0 | 105.1 | D162 C166 | D162-V164 PolarHBondContact O-N 3.33Å; V164-C166 PolarHBondContact O-N 2.98Å |
| 165 | G | 39 | Very low | 42 | Very low | 63 Ų | 63 | 138.2 Ų | 138.2 | 65% | 0.649 | 75% | 0.745 | S | S | * | * | | | trans | -45.6 | 104.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y163 W167 | Y163-G165 PolarHBondContact O-N 3.02Å; G165-W167 PolarHBondContact O-N 3.24Å |
| 166 | C | 36.7 | Very low | 41.9 | Very low | 107 Ų | 107 | 139.3 Ų | 139.3 | 72% | 0.723 | 75% | 0.748 | S | S | * | * | | | trans | -60.1 | 95.6 | 159.5 | -76 | 0 | 0 | 0 | 0 | 106.5 | V164 T168 | V164-C166 PolarHBondContact O-N 2.98Å; C166-T168 PolarHBondContact O-N 3.06Å |
| 167 | W | 40.2 | Very low | 42.1 | Very low | 233 Ų | 233 | 137.2 Ų | 137.2 | 88% | 0.883 | 75% | 0.747 | S | S | * | * | | | trans | 36.2 | 78 | 147.8 | -54 | 86.1 | 0 | 0 | 0 | 112.1 | G165 P169 | G165-W167 PolarHBondContact O-N 3.24Å; W167-P169 VanDerWaalsContact C-N 3.34Å; W167-P169 WeakPolarHBondContact O-CD 3.42Å; W167-P169 VanDerWaalsContact O-N 3.12Å |
| 168 | T | 40.4 | Very low | 41.9 | Very low | 135 Ų | 135 | 137.7 Ų | 137.7 | 83% | 0.828 | 76% | 0.756 | S | S | * | * | | | trans | -64.9 | 105.3 | 151 | 42.6 | 0 | 0 | 0 | 0 | 104.7 | C166 Q170 | C166-T168 PolarHBondContact O-N 3.06Å; T168-Q170 PolarHBondContact O-N 3.42Å |
| 169 | P | 39.9 | Very low | 41.5 | Very low | 114 Ų | 114 | 136.1 Ų | 136.1 | 74% | 0.74 | 75% | 0.746 | S | S | * | * | | | trans | -58 | 116 | 172.7 | 25.8 | -32.6 | 0 | 0 | 0 | 105.6 | W167 P171 | W167-P169 VanDerWaalsContact C-N 3.34Å; W167-P169 WeakPolarHBondContact O-CD 3.42Å; W167-P169 VanDerWaalsContact O-N 3.12Å; P169-P171 WeakPolarHBondContact O-CD 3.47Å |
| 170 | Q | 41.8 | Very low | 41.6 | Very low | 175 Ų | 175 | 132.7 Ų | 132.7 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | | | trans | -55.7 | 114.4 | 171.5 | -150.8 | 171.9 | 13.7 | 0 | 0 | 104.7 | T168 D172 | T168-Q170 PolarHBondContact O-N 3.42Å; Q170-D172 PolarHBondContact O-N 3.32Å |
| 171 | P | 47.1 | Very low | 41.5 | Very low | 81 Ų | 81 | 133 Ų | 133 | 53% | 0.526 | 75% | 0.753 | S | S | . | * | | | trans | -64.6 | 117.2 | -177.1 | 24.4 | -31 | 0 | 0 | 0 | 107 | P169 S173 | P169-P171 WeakPolarHBondContact O-CD 3.47Å; P171-S173 CarbonylContact O-C 3.57Å; P171-S173 PolarHBondContact O-N 2.94Å |
| 172 | D | 47 | Very low | 40.7 | Very low | 175 Ų | 175 | 130 Ų | 130 | 94% | 0.936 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -61.3 | 9.2 | 176.1 | -78.6 | -29.2 | 0 | 0 | 0 | 113.7 | Q170 | Q170-D172 PolarHBondContact O-N 3.32Š|
| 173 | S | 40.4 | Very low | 40.6 | Very low | 81 Ų | 81 | 130.8 Ų | 130.8 | 57% | 0.566 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -135.2 | 122.8 | 166.7 | 41.1 | 0 | 0 | 0 | 0 | 107.9 | P171 I175 | P171-S173 CarbonylContact O-C 3.57Å; P171-S173 PolarHBondContact O-N 2.94Å; S173-I175 PolarHBondContact O-N 2.84Å; S173-I175 VanDerWaalsContact O-N 3.11Å |
| 174 | P | 40.4 | Very low | 40.7 | Very low | 116 Ų | 116 | 131.9 Ų | 131.9 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | | | trans | -53.2 | 127.8 | 171.6 | 20.9 | -29.8 | 0 | 0 | 0 | 107 | R176 | P174-R176 VanDerWaalsContact C-N 3.32Å; P174-R176 PolarHBondContact O-N 2.93Å |
| 175 | I | 44.7 | Very low | 40.8 | Very low | 143 Ų | 143 | 130.2 Ų | 130.2 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | | | trans | -48.5 | 105.4 | 173.6 | -63.6 | 169.6 | 0 | 0 | 0 | 105 | S173 T177 | S173-I175 PolarHBondContact O-N 2.84Å; S173-I175 VanDerWaalsContact O-N 3.11Å; I175-T177 VanDerWaalsContact C-N 3.25Å; I175-T177 PolarHBondContact O-N 2.93Å |
| 176 | R | 39.2 | Very low | 41.2 | Very low | 234 Ų | 234 | 134.4 Ų | 134.4 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | | | trans | -60.7 | 101.1 | 176.7 | -79.3 | -176.5 | 175.4 | -132.7 | 1.4 | 104.8 | P174 A178 | P174-R176 VanDerWaalsContact C-N 3.32Å; P174-R176 PolarHBondContact O-N 2.93Å; R176-A178 VanDerWaalsContact C-N 3.31Å; R176-A178 PolarHBondContact O-N 3.22Å |
| 177 | T | 41.4 | Very low | 41.2 | Very low | 124 Ų | 124 | 138 Ų | 138 | 76% | 0.761 | 77% | 0.77 | S | S | * | * | | | trans | -51.4 | 106.2 | 168.1 | -37.5 | 0 | 0 | 0 | 0 | 104.1 | I175 T179 | I175-T177 VanDerWaalsContact C-N 3.25Å; I175-T177 PolarHBondContact O-N 2.93Å; T177-T179 PolarHBondContact O-N 2.92Å |
| 178 | A | 41.2 | Very low | 41.6 | Very low | 94 Ų | 94 | 132.3 Ų | 132.3 | 78% | 0.777 | 76% | 0.764 | S | S | * | * | | | trans | -67.3 | 85.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | R176 S180 | R176-A178 VanDerWaalsContact C-N 3.31Å; R176-A178 PolarHBondContact O-N 3.22Å; A178-S180 PolarHBondContact O-N 2.72Å; A178-S180 VanDerWaalsContact O-N 3.09Å |
| 179 | T | 41.1 | Very low | 41.8 | Very low | 112 Ų | 112 | 134.4 Ų | 134.4 | 69% | 0.687 | 76% | 0.764 | S | S | * | * | | | trans | -55.2 | 118.4 | 163.7 | 47.2 | 0 | 0 | 0 | 0 | 104.9 | T177 S181 | T177-T179 PolarHBondContact O-N 2.92Å; T179-S181 PolarHBondContact O-N 3.16Å |
| 180 | S | 41.7 | Very low | 42.2 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 89% | 0.888 | 76% | 0.758 | S | S | * | * | | | trans | -69 | 43.1 | -177.8 | 62.6 | 0 | 0 | 0 | 0 | 112.1 | A178 G182 | A178-S180 PolarHBondContact O-N 2.72Å; A178-S180 VanDerWaalsContact O-N 3.09Å; S180-G182 PolarHBondContact O-N 3.4Å |
| 181 | S | 38.5 | Very low | 42.5 | Very low | 91 Ų | 91 | 136.3 Ų | 136.3 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | | | trans | -87.4 | 103.9 | 168.6 | 68.6 | 0 | 0 | 0 | 0 | 107.3 | T179 T183 | T179-S181 PolarHBondContact O-N 3.16Å; S181-T183 PolarHBondContact O-N 3.43Å |
| 182 | G | 33.3 | Very low | 42.3 | Very low | 70 Ų | 70 | 139.9 Ų | 139.9 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | | | trans | -54.4 | 136.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S180 | S180-G182 PolarHBondContact O-N 3.4Š|
| 183 | T | 39.6 | Very low | 42.2 | Very low | 137 Ų | 137 | 137.5 Ų | 137.5 | 84% | 0.84 | 76% | 0.756 | S | S | * | * | | | trans | -166 | 11.3 | 150.2 | 26.1 | 0 | 0 | 0 | 0 | 112.2 | S181 A185 | S181-T183 PolarHBondContact O-N 3.43Å; T183-A185 PolarHBondContact O-N 3Å |
| 184 | R | 42.2 | Very low | 42.6 | Very low | 237 Ų | 237 | 141.6 Ų | 141.6 | 89% | 0.894 | 76% | 0.763 | S | S | * | * | | | trans | -78.3 | 85.6 | 160.8 | -71.3 | -171.9 | 178.4 | -137.7 | -0.7 | 106.7 | N186 | R184-N186 PolarHBondContact O-N 3.15Š|
| 185 | A | 41.8 | Very low | 42.6 | Very low | 86 Ų | 86 | 143.4 Ų | 143.4 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | | | trans | -46.4 | 97.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 107 | T183 K187 | T183-A185 PolarHBondContact O-N 3Å; A185-K187 PolarHBondContact O-N 3.37Å |
| 186 | N | 46.2 | Very low | 42.6 | Very low | 150 Ų | 150 | 142 Ų | 142 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | | | trans | -62.9 | 83.2 | 167.7 | -74.5 | -31.7 | 0 | 0 | 0 | 104.8 | R184 P188 | R184-N186 PolarHBondContact O-N 3.15Å; N186-P188 VanDerWaalsContact C-N 3.33Å; N186-P188 WeakPolarHBondContact O-CD 3.47Å |
| 187 | K | 38.3 | Very low | 42.7 | Very low | 182 Ų | 182 | 140.2 Ų | 140.2 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | | | trans | -63 | 104.3 | 157.7 | -73 | -173.7 | 176.9 | -178.5 | 0 | 103.3 | A185 H189 | A185-K187 PolarHBondContact O-N 3.37Å; K187-H189 PolarHBondContact O-N 3.32Å |
| 188 | P | 48.8 | Very low | 42.7 | Very low | 114 Ų | 114 | 143.1 Ų | 143.1 | 74% | 0.74 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 123.9 | 177.9 | 26.3 | -32.1 | 0 | 0 | 0 | 105.8 | N186 P190 | N186-P188 VanDerWaalsContact C-N 3.33Å; N186-P188 WeakPolarHBondContact O-CD 3.47Å; P188-P190 VanDerWaalsContact O-N 3.07Å |
| 189 | H | 43.6 | Very low | 42.8 | Very low | 180 Ų | 180 | 143.5 Ų | 143.5 | 83% | 0.833 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 124 | 175 | -78.8 | -75.8 | 0 | 0 | 0 | 107.3 | K187 R191 | K187-H189 PolarHBondContact O-N 3.32Å; H189-R191 PolarHBondContact O-N 3.4Å; H189-R191 VanDerWaalsContact O-N 3.15Å |
| 190 | P | 48.2 | Very low | 43.2 | Very low | 96 Ų | 96 | 146.1 Ų | 146.1 | 62% | 0.623 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 130.2 | 179.5 | 18.7 | -28.4 | 0 | 0 | 0 | 107 | P188 K192 | P188-P190 VanDerWaalsContact O-N 3.07Å; P190-K192 PolarHBondContact O-N 3.46Å |
| 191 | R | 48.4 | Very low | 43.4 | Very low | 232 Ų | 232 | 148 Ų | 148 | 88% | 0.875 | 75% | 0.746 | S | S | * | * | | | trans | -57.2 | 75.8 | -178.2 | -74.2 | 173.3 | 148.1 | 166.7 | -7.3 | 109.9 | H189 | H189-R191 PolarHBondContact O-N 3.4Å; H189-R191 VanDerWaalsContact O-N 3.15Å |
| 192 | K | 42.1 | Very low | 43.9 | Very low | 157 Ų | 157 | 149.5 Ų | 149.5 | 68% | 0.683 | 75% | 0.747 | S | S | * | * | | | trans | -106.6 | 100.8 | 174.8 | -67.9 | -167.7 | 177.2 | -169.9 | 0 | 106.9 | P190 F194 | P190-K192 PolarHBondContact O-N 3.46Å; K192-F194 PolarHBondContact O-N 3.48Å |
| 193 | D | 44.7 | Very low | 44.5 | Very low | 125 Ų | 125 | 150.9 Ų | 150.9 | 67% | 0.668 | 74% | 0.735 | S | S | * | * | | | trans | 69 | 27 | 136.3 | -42.3 | -29.9 | 0 | 0 | 0 | 119.3 | L195 T196 | D193-L195 PolarHBondContact O-N 3.38Å; D193-T196 PolarHBondContact O-OG1 2.69Å |
| 194 | F | 50.2 | Low | 44.7 | Very low | 166 Ų | 166 | 152.2 Ų | 152.2 | 73% | 0.728 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -69.8 | -5.7 | 160 | 47.2 | -95.9 | 0 | 0 | 0 | 113.2 | K192 | K192-F194 PolarHBondContact O-N 3.48Š|
| 195 | L | 39.5 | Very low | 44.9 | Very low | 154 Ų | 154 | 145 Ų | 145 | 81% | 0.806 | 72% | 0.719 | S | S | * | * | | | trans | -102.6 | 64.1 | 171.3 | -75.4 | 154.7 | 0 | 0 | 0 | 109.5 | D193 Y197 | D193-L195 PolarHBondContact O-N 3.38Å; L195-Y197 PolarHBondContact O-N 3.37Å |
| 196 | T | 45.8 | Very low | 45 | Very low | 114 Ų | 114 | 149.1 Ų | 149.1 | 70% | 0.699 | 72% | 0.718 | S | S | * | * | | | trans | -73.7 | 111.5 | 167.8 | -28 | 0 | 0 | 0 | 0 | 107.9 | D193 R198 | D193-T196 PolarHBondContact O-OG1 2.69Å; T196-R198 PolarHBondContact O-N 3.44Å |
| 197 | Y | 39.5 | Very low | 45 | Very low | 197 Ų | 197 | 150 Ų | 150 | 77% | 0.773 | 72% | 0.715 | S | S | * | * | | | trans | -61.7 | 99.8 | 172.9 | -162 | -98.1 | 0 | 0 | 0 | 108.2 | L195 N199 | L195-Y197 PolarHBondContact O-N 3.37Å; Y197-N199 VanDerWaalsContact CE1-OD1 3.25Å; Y197-N199 WeakPolarHBondContact CE1-OD1 3.34Å; Y197-N199 PolarHBondContact O-N 3.15Å |
| 198 | R | 42.1 | Very low | 44.8 | Very low | 185 Ų | 185 | 148.2 Ų | 148.2 | 70% | 0.698 | 71% | 0.714 | S | S | * | * | | | trans | -76.9 | 92.1 | 174.6 | -82.6 | -172.8 | 166.8 | -174.6 | -7.4 | 108.1 | T196 E200 | T196-R198 PolarHBondContact O-N 3.44Å; R198-E200 PolarHBondContact O-N 2.95Å; R198-E200 VanDerWaalsContact O-N 3.16Å |
| 199 | N | 43 | Very low | 44.2 | Very low | 102 Ų | 102 | 149.9 Ų | 149.9 | 55% | 0.545 | 71% | 0.712 | S | S | . | * | | | trans | -67.4 | 107.7 | 162.2 | -102.1 | -15.3 | 0 | 0 | 0 | 107.9 | Y197 M201 N202 | Y197-N199 VanDerWaalsContact CE1-OD1 3.25Å; Y197-N199 WeakPolarHBondContact CE1-OD1 3.34Å; Y197-N199 PolarHBondContact O-N 3.15Å; N199-M201 PolarHBondContact O-N 3.46Å; N199-M201 VanDerWaalsContact O-N 3.13Å; N199-N202 PolarHBondContact O-N 3.42Å |
| 200 | E | 49 | Very low | 43.9 | Very low | 167 Ų | 167 | 147.5 Ų | 147.5 | 78% | 0.78 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -60.5 | -21.2 | -177.6 | -52.6 | -176.9 | -175.1 | 0 | 0 | 112.1 | R198 N202 Q203 | R198-E200 PolarHBondContact O-N 2.95Å; R198-E200 VanDerWaalsContact O-N 3.16Å; E200-N202 VanDerWaalsContact C-N 3.29Å; E200-N202 PolarHBondContact O-N 3.47Å; E200-Q203 PolarHBondContact O-N 3.4Å |
| 201 | M | 47.6 | Very low | 43.4 | Very low | 166 Ų | 166 | 148.6 Ų | 148.6 | 82% | 0.818 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -58.9 | -32.1 | -178.3 | -144.2 | 87.9 | 133.8 | 0 | 0 | 114.2 | N199 | N199-M201 PolarHBondContact O-N 3.46Å; N199-M201 VanDerWaalsContact O-N 3.13Å |
| 202 | N | 48.4 | Very low | 42.6 | Very low | 123 Ų | 123 | 142.3 Ų | 142.3 | 66% | 0.658 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -90.9 | -3.7 | -174.5 | -76.6 | -7.6 | 0 | 0 | 0 | 114.6 | N199 E200 | N199-N202 PolarHBondContact O-N 3.42Å; E200-N202 VanDerWaalsContact C-N 3.29Å; E200-N202 PolarHBondContact O-N 3.47Å |
| 203 | Q | 46.2 | Very low | 42.7 | Very low | 99 Ų | 99 | 140.7 Ų | 140.7 | 46% | 0.463 | 72% | 0.719 | S | S | . | * | S | Bend | trans | -87.7 | -14.5 | 177.3 | -75.2 | -173.7 | 47.5 | 0 | 0 | 113.5 | E200 S205 F207 | E200-Q203 PolarHBondContact O-N 3.4Å; Q203-S205 VanDerWaalsContact C-N 3.27Å; Q203-S205 PolarHBondContact O-N 3.36Å; Q203-F207 WeakPolarHBondContact O-CD2 3.37Å |
| 204 | M | 43.9 | Very low | 42.3 | Very low | 164 Ų | 164 | 141 Ų | 141 | 81% | 0.808 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -21.8 | 179.9 | -146.3 | 82.7 | 76.9 | 0 | 0 | 112.9 | | |
| 205 | S | 46.2 | Very low | 41.5 | Very low | 85 Ų | 85 | 138.2 Ų | 138.2 | 59% | 0.594 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -6.5 | -176.4 | 55.6 | 0 | 0 | 0 | 0 | 115.2 | Q203 | Q203-S205 VanDerWaalsContact C-N 3.27Å; Q203-S205 PolarHBondContact O-N 3.36Å |
| 206 | Y | 42.8 | Very low | 41.4 | Very low | 174 Ų | 174 | 136.9 Ų | 136.9 | 68% | 0.682 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -100.9 | -0.4 | -176 | -98.6 | -84.3 | 0 | 0 | 0 | 115 | | |
| 207 | F | 46.1 | Very low | 40.8 | Very low | 168 Ų | 168 | 137.7 Ų | 137.7 | 74% | 0.737 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -10.2 | 178.4 | -77.5 | -76.1 | 0 | 0 | 0 | 114.5 | Q203 | Q203-F207 WeakPolarHBondContact O-CD2 3.37Š|
| 208 | D | 35 | Very low | 40.5 | Very low | 145 Ų | 145 | 133.8 Ų | 133.8 | 78% | 0.775 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | 9.7 | -178.4 | -73 | -21.5 | 0 | 0 | 0 | 114.4 | P210 | D208-P210 WeakPolarHBondContact O-CD 3.26Š|
| 209 | Q | 36.1 | Very low | 40 | Very low | 149 Ų | 149 | 134 Ų | 134 | 70% | 0.696 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -100 | 109.9 | 171 | -77.6 | -173.3 | -7.4 | 0 | 0 | 111.1 | S211 | Q209-S211 PolarHBondContact O-N 3.12Š|
| 210 | P | 37 | Very low | 39.5 | Very low | 129 Ų | 129 | 134 Ų | 134 | 84% | 0.838 | 75% | 0.748 | S | S | * | * | | | trans | -65.8 | 107 | 175.3 | 26.2 | -31.7 | 0 | 0 | 0 | 108.9 | D208 S212 | D208-P210 WeakPolarHBondContact O-CD 3.26Å; P210-S212 PolarHBondContact O-N 3.26Å |
| 211 | S | 37.2 | Very low | 38.7 | Very low | 119 Ų | 119 | 133.6 Ų | 133.6 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | | | trans | -70.6 | 126.2 | 176.6 | 40.5 | 0 | 0 | 0 | 0 | 110.1 | Q209 | Q209-S211 PolarHBondContact O-N 3.12Š|
| 212 | S | 33 | Very low | 38 | Very low | 101 Ų | 101 | 131.3 Ų | 131.3 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | | | trans | -54.2 | 141.4 | -178.2 | -179.1 | 0 | 0 | 0 | 0 | 113.3 | P210 V214 | P210-S212 PolarHBondContact O-N 3.26Å; S212-V214 PolarHBondContact O-N 3.31Å; S212-V214 VanDerWaalsContact O-N 3.16Å |
| 213 | P | 43.2 | Very low | 37.3 | Very low | 122 Ų | 122 | 133.3 Ų | 133.3 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | | | trans | -75.7 | 105.9 | -172.5 | 30.1 | -32.9 | 0 | 0 | 0 | 111.1 | S215 | P213-S215 PolarHBondContact O-N 3.13Š|
| 214 | V | 36.8 | Very low | 36.9 | Very low | 132 Ų | 132 | 138.5 Ų | 138.5 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | | | trans | -75.6 | 119.3 | 169.7 | 178.3 | 0 | 0 | 0 | 0 | 108.6 | S212 T216 | S212-V214 PolarHBondContact O-N 3.31Å; S212-V214 VanDerWaalsContact O-N 3.16Å; V214-T216 PolarHBondContact O-N 3.06Å |
| 215 | S | 32.2 | Very low | 36.5 | Very low | 107 Ų | 107 | 138.1 Ų | 138.1 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | | | trans | -54.7 | 110.2 | -178.7 | -173 | 0 | 0 | 0 | 0 | 112.2 | P213 V217 | P213-S215 PolarHBondContact O-N 3.13Å; S215-V217 PolarHBondContact O-N 3.14Å |
| 216 | T | 37.9 | Very low | 36.5 | Very low | 127 Ų | 127 | 142 Ų | 142 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | | | trans | -78.7 | 105.2 | 174.6 | -45.6 | 0 | 0 | 0 | 0 | 108.9 | V214 S218 | V214-T216 PolarHBondContact O-N 3.06Å; T216-S218 PolarHBondContact O-N 2.74Å |
| 217 | V | 33.4 | Very low | 36.5 | Very low | 130 Ų | 130 | 140 Ų | 140 | 79% | 0.788 | 78% | 0.78 | S | S | * | * | | | trans | -58.2 | 121.1 | 171.9 | 179.5 | 0 | 0 | 0 | 0 | 108.9 | S215 E219 | S215-V217 PolarHBondContact O-N 3.14Å; V217-E219 PolarHBondContact O-N 3.25Å |
| 218 | S | 33.5 | Very low | 36.4 | Very low | 115 Ų | 115 | 140.8 Ų | 140.8 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | -78 | 95.5 | -174 | -27.5 | 0 | 0 | 0 | 0 | 109.4 | T216 | T216-S218 PolarHBondContact O-N 2.74Š|
| 219 | E | 31.2 | Very low | 36.5 | Very low | 189 Ų | 189 | 138.2 Ų | 138.2 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | | | trans | -80.1 | 122.1 | 172.8 | -156.1 | 171.8 | -166.4 | 0 | 0 | 109.4 | V217 | V217-E219 PolarHBondContact O-N 3.25Š|
| 220 | S | 32.2 | Very low | 37.3 | Very low | 103 Ų | 103 | 136.3 Ų | 136.3 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | | | trans | -59.4 | 137.2 | -167 | 48.8 | 0 | 0 | 0 | 0 | 114.6 | T222 | S220-T222 PolarHBondContact O-N 3.28Š|
| 221 | L | 32.9 | Very low | 38 | Very low | 158 Ų | 158 | 138.3 Ų | 138.3 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | | | trans | -51.7 | 87.4 | 178.3 | -169 | 76.8 | 0 | 0 | 0 | 113 | Q223 | L221-Q223 PolarHBondContact O-N 3.14Å; L221-Q223 VanDerWaalsContact O-N 3.07Å |
| 222 | T | 33.6 | Very low | 38.5 | Very low | 118 Ų | 118 | 143.3 Ų | 143.3 | 72% | 0.724 | 78% | 0.775 | S | S | * | * | | | trans | -75.7 | 96.9 | 160.6 | 32.3 | 0 | 0 | 0 | 0 | 108.3 | S220 R224 | S220-T222 PolarHBondContact O-N 3.28Å; T222-R224 PolarHBondContact O-N 3.4Å |
| 223 | Q | 33.9 | Very low | 39.4 | Very low | 166 Ų | 166 | 144.9 Ų | 144.9 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | | | trans | -63.6 | 69.7 | 177.7 | -157.7 | 175.9 | 27.9 | 0 | 0 | 110.5 | L221 N225 | L221-Q223 PolarHBondContact O-N 3.14Å; L221-Q223 VanDerWaalsContact O-N 3.07Å; Q223-N225 PolarHBondContact O-N 2.74Å |
| 224 | R | 36.2 | Very low | 40.4 | Very low | 207 Ų | 207 | 141.8 Ų | 141.8 | 78% | 0.781 | 75% | 0.752 | S | S | * | * | | | trans | -79.6 | 106.5 | 169.6 | -72.4 | -171.6 | 178.7 | 165.5 | 1.7 | 107.5 | T222 K226 | T222-R224 PolarHBondContact O-N 3.4Å; R224-K226 VanDerWaalsContact C-N 3.26Å; R224-K226 PolarHBondContact O-N 3.18Å |
| 225 | N | 36.9 | Very low | 41.5 | Very low | 157 Ų | 157 | 142.8 Ų | 142.8 | 84% | 0.84 | 75% | 0.748 | S | S | * | * | | | trans | -45.2 | 89.4 | 166 | -85.3 | -38.6 | 0 | 0 | 0 | 110 | Q223 T227 | Q223-N225 PolarHBondContact O-N 2.74Å; N225-T227 PolarHBondContact O-N 3.01Å |
| 226 | K | 45.1 | Very low | 43 | Very low | 165 Ų | 165 | 145 Ų | 145 | 72% | 0.717 | 74% | 0.744 | S | S | * | * | | | trans | -85.1 | 98.8 | 167.8 | -73.1 | 177.5 | -175.9 | 175.2 | 0 | 105.1 | R224 F228 | R224-K226 VanDerWaalsContact C-N 3.26Å; R224-K226 PolarHBondContact O-N 3.18Å; K226-F228 WeakPolarHBondContact O-CD2 3.45Å; K226-F228 PolarHBondContact O-N 3.32Å |
| 227 | T | 43.2 | Very low | 44.3 | Very low | 133 Ų | 133 | 142.1 Ų | 142.1 | 82% | 0.816 | 72% | 0.724 | S | S | * | * | | | trans | -48.9 | 97.3 | 159.5 | -31.2 | 0 | 0 | 0 | 0 | 106.3 | N225 C229 | N225-T227 PolarHBondContact O-N 3.01Å; T227-C229 PolarHBondContact O-N 2.89Å |
| 228 | F | 43.4 | Very low | 45.7 | Very low | 185 Ų | 185 | 140.4 Ų | 140.4 | 81% | 0.811 | 71% | 0.709 | S | S | * | * | | | trans | -64.7 | 101.1 | 178.8 | -80.8 | -89.5 | 0 | 0 | 0 | 106.3 | K226 P230 | K226-F228 WeakPolarHBondContact O-CD2 3.45Å; K226-F228 PolarHBondContact O-N 3.32Å; F228-P230 WeakPolarHBondContact O-CD 3.13Å |
| 229 | C | 38.3 | Very low | 46.9 | Very low | 90 Ų | 90 | 139.1 Ų | 139.1 | 61% | 0.608 | 69% | 0.693 | S | S | * | * | | | trans | -65.1 | 109.8 | 158.2 | -71.6 | 0 | 0 | 0 | 0 | 105.8 | T227 H231 R232 | T227-C229 PolarHBondContact O-N 2.89Å; C229-H231 PolarHBondContact O-N 2.96Å; C229-R232 PolarHBondContact O-N 2.99Å |
| 230 | P | 53 | Low | 48.2 | Very low | 109 Ų | 109 | 135.6 Ų | 135.6 | 71% | 0.708 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -2.5 | -170.3 | 24.3 | -31.6 | 0 | 0 | 0 | 113.9 | F228 | F228-P230 WeakPolarHBondContact O-CD 3.13Š|
| 231 | H | 50.8 | Low | 49.6 | Very low | 172 Ų | 172 | 134.4 Ų | 134.4 | 80% | 0.796 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.1 | 9.8 | -174.6 | -76.4 | 64.1 | 0 | 0 | 0 | 114.7 | C229 | C229-H231 PolarHBondContact O-N 2.96Š|
| 232 | R | 47.9 | Very low | 50.8 | Low | 224 Ų | 224 | 132.5 Ų | 132.5 | 85% | 0.845 | 66% | 0.655 | S | S | * | * | | | trans | -111 | 87 | 167.7 | -85.5 | -172.9 | 175.1 | 174.6 | -0.2 | 109.7 | C229 S234 | C229-R232 PolarHBondContact O-N 2.99Å; R232-S234 PolarHBondContact O-N 2.93Å |
| 233 | H | 52.8 | Low | 52 | Low | 134 Ų | 134 | 130.6 Ų | 130.6 | 62% | 0.62 | 64% | 0.643 | S | S | * | * | | | trans | -55 | 129.3 | 161.3 | -61 | -62.2 | 0 | 0 | 0 | 108.2 | D237 | H233-D237 HydrophobicContact CB-CB 4.27Š|
| 234 | S | 63.2 | Low | 52.7 | Low | 56 Ų | 56 | 131.1 Ų | 131.1 | 39% | 0.392 | 64% | 0.639 | S | S | . | * | | | trans | -63.3 | 149.4 | 175.6 | 75.1 | 0 | 0 | 0 | 0 | 108.3 | R232 K236 D237 L238 | R232-S234 PolarHBondContact O-N 2.93Å; S234-K236 PolarHBondContact O-N 3.45Å; S234-D237 WeakPolarHBondContact CB-OD2 3.14Å; S234-D237 PolarHBondContact N-OD2 3.4Å; S234-D237 WeakPolarHBondContact O-CB 3.36Å; S234-D237 PolarHBondContact O-N 2.93Å; S234-D237 PolarHBondContact OG-OD2 2.89Å; S234-L238 PolarHBondContact O-N 3.19Å |
| 235 | E | 60.3 | Low | 53.2 | Low | 153 Ų | 153 | 126.9 Ų | 126.9 | 72% | 0.715 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -51.9 | -30.9 | 179.4 | -173.1 | -176.1 | 175.5 | 0 | 0 | 111.9 | L238 I239 | E235-L238 WeakPolarHBondContact O-CB 3.26Å; E235-L238 PolarHBondContact O-N 3.14Å; E235-I239 HydrophobicContact CG-CD1 4.03Å; E235-I239 VanDerWaalsContact O-CG1 3.25Å; E235-I239 WeakPolarHBondContact O-CG1 3.33Å; E235-I239 PolarHBondContact O-N 3.39Å |
| 236 | K | 63.8 | Low | 53.7 | Low | 155 Ų | 155 | 128.4 Ų | 128.4 | 67% | 0.674 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -61.8 | -43.8 | 174.1 | -65.3 | -174.6 | 178.6 | -176.4 | 0 | 112.7 | S234 L238 I239 Q240 | S234-K236 PolarHBondContact O-N 3.45Å; K236-L238 VanDerWaalsContact C-N 3.33Å; K236-I239 PolarHBondContact O-N 3Å; K236-Q240 WeakPolarHBondContact O-CB 3.44Å; K236-Q240 PolarHBondContact O-N 3.49Å |
| 237 | D | 64.2 | Low | 53.7 | Low | 65 Ų | 65 | 125.7 Ų | 125.7 | 35% | 0.348 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -67.2 | -39.5 | 178.7 | -52.8 | -40.1 | 0 | 0 | 0 | 110.3 | H233 S234 Q240 T241 | H233-D237 HydrophobicContact CB-CB 4.27Å; S234-D237 WeakPolarHBondContact CB-OD2 3.14Å; S234-D237 PolarHBondContact N-OD2 3.4Å; S234-D237 WeakPolarHBondContact O-CB 3.36Å; S234-D237 PolarHBondContact O-N 2.93Å; S234-D237 PolarHBondContact OG-OD2 2.89Å; D237-Q240 PolarHBondContact O-N 3.12Å; D237-T241 WeakPolarHBondContact O-CB 3.47Å; D237-T241 PolarHBondContact O-N 3.38Å; D237-T241 PolarHBondContact O-OG1 3.28Å |
| 238 | L | 62.9 | Low | 54.2 | Low | 94 Ų | 94 | 129 Ų | 129 | 49% | 0.492 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -60.4 | -46.4 | 174.5 | -111 | 151.2 | 0 | 0 | 0 | 111.6 | S234 E235 K236 T241 L242 | S234-L238 PolarHBondContact O-N 3.19Å; E235-L238 WeakPolarHBondContact O-CB 3.26Å; E235-L238 PolarHBondContact O-N 3.14Å; K236-L238 VanDerWaalsContact C-N 3.33Å; L238-T241 PolarHBondContact O-N 3.12Å; L238-L242 HydrophobicContact CD2-CD1 4.27Å; L238-L242 WeakPolarHBondContact O-CB 3.44Å; L238-L242 WeakPolarHBondContact O-CD1 3.5Å; L238-L242 PolarHBondContact O-N 2.91Å |
| 239 | I | 58.8 | Low | 54.6 | Low | 89 Ų | 89 | 125.2 Ų | 125.2 | 46% | 0.456 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -65.1 | -43.3 | 175.9 | -67 | 166.2 | 0 | 0 | 0 | 110.4 | E235 K236 T241 L242 V243 | E235-I239 HydrophobicContact CG-CD1 4.03Å; E235-I239 VanDerWaalsContact O-CG1 3.25Å; E235-I239 WeakPolarHBondContact O-CG1 3.33Å; E235-I239 PolarHBondContact O-N 3.39Å; K236-I239 PolarHBondContact O-N 3Å; I239-T241 VanDerWaalsContact C-N 3.32Å; I239-T241 PolarHBondContact O-N 2.93Å; I239-L242 PolarHBondContact O-N 2.82Å; I239-V243 HydrophobicContact CG2-CG2 3.92Å; I239-V243 VanDerWaalsContact O-CB 3.3Å; I239-V243 WeakPolarHBondContact O-CB 3.46Å; I239-V243 VanDerWaalsContact O-CG2 3.23Å; I239-V243 WeakPolarHBondContact O-CG2 3.48Å; I239-V243 PolarHBondContact O-N 3.44Å |
| 240 | Q | 58.1 | Low | 55.2 | Low | 114 Ų | 114 | 130.3 Ų | 130.3 | 53% | 0.533 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -63.1 | -41.3 | 179.8 | -163.5 | 173.8 | -2.1 | 0 | 0 | 111.1 | K236 D237 V243 Y244 | K236-Q240 WeakPolarHBondContact O-CB 3.44Å; K236-Q240 PolarHBondContact O-N 3.49Å; D237-Q240 PolarHBondContact O-N 3.12Å; Q240-V243 PolarHBondContact O-N 3Å; Q240-Y244 HydrophobicContact CB-CD2 4.36Å; Q240-Y244 HydrophobicContact CG-CD2 3.62Å; Q240-Y244 HydrophobicContact CG-CE2 4.15Å; Q240-Y244 WeakPolarHBondContact O-CB 3.47Å; Q240-Y244 WeakPolarHBondContact O-CD2 3.5Å; Q240-Y244 PolarHBondContact O-N 2.82Å |
| 241 | T | 61.4 | Low | 55.3 | Low | 78 Ų | 78 | 133.2 Ų | 133.2 | 48% | 0.479 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -64.4 | -43.3 | 174.7 | -44.9 | 0 | 0 | 0 | 0 | 111 | D237 L238 I239 N245 | D237-T241 WeakPolarHBondContact O-CB 3.47Å; D237-T241 PolarHBondContact O-N 3.38Å; D237-T241 PolarHBondContact O-OG1 3.28Å; L238-T241 PolarHBondContact O-N 3.12Å; I239-T241 VanDerWaalsContact C-N 3.32Å; I239-T241 PolarHBondContact O-N 2.93Å; T241-N245 HydrophobicContact CG2-CB 4.34Å; T241-N245 WeakPolarHBondContact O-CA 3.41Å; T241-N245 VanDerWaalsContact O-CB 3.26Å; T241-N245 WeakPolarHBondContact O-CB 3.48Å; T241-N245 PolarHBondContact O-N 2.76Å; T241-N245 VanDerWaalsContact O-N 3.13Å |
| 242 | L | 58.4 | Low | 55.5 | Low | 118 Ų | 118 | 136.4 Ų | 136.4 | 62% | 0.618 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -69.6 | -33.2 | 179.2 | -89.4 | 155.9 | 0 | 0 | 0 | 114.4 | L238 I239 | L238-L242 HydrophobicContact CD2-CD1 4.27Å; L238-L242 WeakPolarHBondContact O-CB 3.44Å; L238-L242 WeakPolarHBondContact O-CD1 3.5Å; L238-L242 PolarHBondContact O-N 2.91Å; I239-L242 PolarHBondContact O-N 2.82Å |
| 243 | V | 58.6 | Low | 56.4 | Low | 79 Ų | 79 | 129.1 Ų | 129.1 | 48% | 0.479 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -89.5 | -45.1 | -175.2 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | I239 Q240 | I239-V243 HydrophobicContact CG2-CG2 3.92Å; I239-V243 VanDerWaalsContact O-CB 3.3Å; I239-V243 WeakPolarHBondContact O-CB 3.46Å; I239-V243 VanDerWaalsContact O-CG2 3.23Å; I239-V243 WeakPolarHBondContact O-CG2 3.48Å; I239-V243 PolarHBondContact O-N 3.44Å; Q240-V243 PolarHBondContact O-N 3Å |
| 244 | Y | 49.1 | Very low | 57 | Low | 177 Ų | 177 | 125.2 Ų | 125.2 | 69% | 0.694 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -98.9 | -28.7 | -171.4 | -62.2 | -79.7 | 0 | 0 | 0 | 113.7 | Q240 R246 | Q240-Y244 HydrophobicContact CB-CD2 4.36Å; Q240-Y244 HydrophobicContact CG-CD2 3.62Å; Q240-Y244 HydrophobicContact CG-CE2 4.15Å; Q240-Y244 WeakPolarHBondContact O-CB 3.47Å; Q240-Y244 WeakPolarHBondContact O-CD2 3.5Å; Q240-Y244 PolarHBondContact O-N 2.82Å; Y244-R246 PolarHBondContact O-N 3.35Å |
| 245 | N | 46.7 | Very low | 57.5 | Low | 118 Ų | 118 | 133.6 Ų | 133.6 | 63% | 0.631 | 63% | 0.629 | S | S | * | * | | | trans | -91.1 | 36.6 | 172.8 | -59.4 | -24 | 0 | 0 | 0 | 111.7 | T241 P247 | T241-N245 HydrophobicContact CG2-CB 4.34Å; T241-N245 WeakPolarHBondContact O-CA 3.41Å; T241-N245 VanDerWaalsContact O-CB 3.26Å; T241-N245 WeakPolarHBondContact O-CB 3.48Å; T241-N245 PolarHBondContact O-N 2.76Å; T241-N245 VanDerWaalsContact O-N 3.13Å; N245-P247 WeakPolarHBondContact O-CD 3.25Å |
| 246 | R | 48 | Very low | 58.1 | Low | 189 Ų | 189 | 134 Ų | 134 | 71% | 0.713 | 63% | 0.631 | S | S | * | * | | | trans | -71.7 | 112 | 159.4 | -77.6 | -170.8 | -178.1 | -179.1 | -0.3 | 106.7 | Y244 K248 | Y244-R246 PolarHBondContact O-N 3.35Å; R246-K248 PolarHBondContact O-N 3.49Å |
| 247 | P | 45.6 | Very low | 58.6 | Low | 107 Ų | 107 | 131.3 Ų | 131.3 | 70% | 0.695 | 62% | 0.621 | S | S | * | * | | | trans | -54.6 | 122 | 172.8 | 21 | -29.8 | 0 | 0 | 0 | 107.7 | N245 V249 | N245-P247 WeakPolarHBondContact O-CD 3.25Å; P247-V249 PolarHBondContact O-N 3.03Å |
| 248 | K | 52.7 | Low | 58.9 | Low | 204 Ų | 204 | 134.5 Ų | 134.5 | 89% | 0.887 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -62.9 | -9.3 | -178.5 | -72.8 | -178 | 177.4 | 178.7 | 0 | 112.8 | R246 | R246-K248 PolarHBondContact O-N 3.49Š|
| 249 | V | 52.6 | Low | 59.1 | Low | 104 Ų | 104 | 133.6 Ų | 133.6 | 63% | 0.63 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -92.2 | 103.4 | 172.1 | -168.8 | 0 | 0 | 0 | 0 | 107 | P247 Q251 | P247-V249 PolarHBondContact O-N 3.03Å; V249-Q251 HydrophobicContact CG1-CG 4.08Å; V249-Q251 PolarHBondContact O-N 3.2Å |
| 250 | F | 49.6 | Very low | 60 | Low | 198 Ų | 198 | 135 Ų | 135 | 87% | 0.868 | 63% | 0.634 | S | S | * | * | | | trans | -63.7 | 70.4 | 163.4 | -70.2 | -88.9 | 0 | 0 | 0 | 109 | R252 | F250-R252 VanDerWaalsContact C-N 3.26Å; F250-R252 PolarHBondContact O-N 2.87Å |
| 251 | Q | 54.8 | Low | 60.4 | Low | 169 Ų | 169 | 133.4 Ų | 133.4 | 79% | 0.79 | 63% | 0.629 | S | S | * | * | | | trans | -64.3 | 101.6 | 158.8 | -88 | -177.3 | -4.9 | 0 | 0 | 105.2 | V249 L253 | V249-Q251 HydrophobicContact CG1-CG 4.08Å; V249-Q251 PolarHBondContact O-N 3.2Å; Q251-L253 PolarHBondContact O-N 3.03Å |
| 252 | R | 56.7 | Low | 60.6 | Low | 239 Ų | 239 | 133.1 Ų | 133.1 | 90% | 0.902 | 62% | 0.624 | S | S | * | * | | | trans | -51.6 | 111.5 | 166.9 | -76.3 | -179.6 | 173.7 | 172.6 | -1.3 | 106 | F250 S254 | F250-R252 VanDerWaalsContact C-N 3.26Å; F250-R252 PolarHBondContact O-N 2.87Å; R252-S254 PolarHBondContact O-N 3.16Å |
| 253 | L | 65.4 | Low | 60.9 | Low | 72 Ų | 72 | 132.9 Ų | 132.9 | 38% | 0.377 | 62% | 0.62 | S | S | . | * | | | trans | -51 | 134.1 | 172.9 | -68.9 | 169.7 | 0 | 0 | 0 | 107.8 | Q251 Q257 Y258 L261 | Q251-L253 PolarHBondContact O-N 3.03Å; L253-Q257 VanDerWaalsContact CA-OE1 3.31Å; L253-Q257 HydrophobicContact CB-CB 4.1Å; L253-Q257 HydrophobicContact CD2-CB 4.26Å; L253-Q257 VanDerWaalsContact CD2-OE1 3.3Å; L253-Y258 HydrophobicContact CB-CD2 3.57Å; L253-Y258 HydrophobicContact CB-CE2 3.81Å; L253-Y258 HydrophobicContact CD1-CD2 4.16Å; L253-Y258 HydrophobicContact CD1-CE2 3.95Å; L253-Y258 HydrophobicContact CG-CD2 4.49Å; L253-Y258 HydrophobicContact CG-CE2 4.38Å; L253-L261 HydrophobicContact CD1-CD1 3.79Å |
| 254 | S | 66.2 | Low | 61 | Low | 52 Ų | 52 | 134 Ų | 134 | 36% | 0.364 | 62% | 0.621 | S | S | . | * | | | trans | -58.9 | 154.3 | 176.8 | 77.3 | 0 | 0 | 0 | 0 | 109.4 | R252 E256 Q257 Y258 | R252-S254 PolarHBondContact O-N 3.16Å; S254-E256 PolarHBondContact O-N 3.1Å; S254-Q257 WeakPolarHBondContact O-CB 3.3Å; S254-Q257 PolarHBondContact O-N 2.83Å; S254-Q257 WeakPolarHBondContact OG-CG 3.35Å; S254-Q257 PolarHBondContact OG-N 2.84Å; S254-Y258 PolarHBondContact O-N 2.89Å |
| 255 | R | 74.5 | Confident | 61.6 | Low | 232 Ų | 232 | 134.7 Ų | 134.7 | 88% | 0.875 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -51.4 | -35 | 178.4 | -176.8 | 178.3 | 178.5 | -176.6 | -0.3 | 111.8 | S259 | R255-S259 WeakPolarHBondContact O-CB 3.31Å; R255-S259 PolarHBondContact O-N 3.37Å |
| 256 | E | 72.4 | Confident | 61.9 | Low | 160 Ų | 160 | 136.9 Ų | 136.9 | 75% | 0.748 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -68.9 | -43.8 | 178 | -62.8 | 178.6 | -179.5 | 0 | 0 | 112.3 | S254 Y258 S259 F260 | S254-E256 PolarHBondContact O-N 3.1Å; E256-Y258 VanDerWaalsContact C-N 3.34Å; E256-Y258 PolarHBondContact O-N 2.96Å; E256-S259 WeakPolarHBondContact O-CB 3.23Å; E256-S259 PolarHBondContact O-N 3.01Å; E256-F260 WeakPolarHBondContact O-CB 3.37Å; E256-F260 PolarHBondContact O-N 3.28Å |
| 257 | Q | 73.7 | Confident | 61.9 | Low | 99 Ų | 99 | 133.8 Ų | 133.8 | 46% | 0.463 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -63 | -41.2 | 175.7 | -71.3 | 171.4 | -20.4 | 0 | 0 | 111.7 | L253 S254 F260 L261 | L253-Q257 VanDerWaalsContact CA-OE1 3.31Å; L253-Q257 HydrophobicContact CB-CB 4.1Å; L253-Q257 HydrophobicContact CD2-CB 4.26Å; L253-Q257 VanDerWaalsContact CD2-OE1 3.3Å; S254-Q257 WeakPolarHBondContact O-CB 3.3Å; S254-Q257 PolarHBondContact O-N 2.83Å; S254-Q257 WeakPolarHBondContact OG-CG 3.35Å; S254-Q257 PolarHBondContact OG-N 2.84Å; Q257-F260 PolarHBondContact O-N 3.23Å; Q257-L261 WeakPolarHBondContact O-CG 3.39Å; Q257-L261 PolarHBondContact O-N 3.13Å |
| 258 | Y | 71.3 | Confident | 62 | Low | 133 Ų | 133 | 132.2 Ų | 132.2 | 52% | 0.522 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -64.1 | -41.7 | 174.7 | -110.9 | -72.7 | 0 | 0 | 0 | 112.2 | L253 S254 E256 L261 N262 | L253-Y258 HydrophobicContact CB-CD2 3.57Å; L253-Y258 HydrophobicContact CB-CE2 3.81Å; L253-Y258 HydrophobicContact CD1-CD2 4.16Å; L253-Y258 HydrophobicContact CD1-CE2 3.95Å; L253-Y258 HydrophobicContact CG-CD2 4.49Å; L253-Y258 HydrophobicContact CG-CE2 4.38Å; S254-Y258 PolarHBondContact O-N 2.89Å; E256-Y258 VanDerWaalsContact C-N 3.34Å; E256-Y258 PolarHBondContact O-N 2.96Å; Y258-L261 PolarHBondContact O-N 2.98Å; Y258-N262 WeakPolarHBondContact O-CB 3.42Å; Y258-N262 VanDerWaalsContact O-CG 3.31Å; Y258-N262 PolarHBondContact O-N 3.45Å; Y258-N262 PolarHBondContact O-ND2 2.98Å |
| 259 | S | 67.4 | Low | 61.9 | Low | 75 Ų | 75 | 128 Ų | 128 | 52% | 0.524 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -61.4 | -45.5 | 176 | -169.7 | 0 | 0 | 0 | 0 | 111.3 | R255 E256 N262 Q263 | R255-S259 WeakPolarHBondContact O-CB 3.31Å; R255-S259 PolarHBondContact O-N 3.37Å; E256-S259 WeakPolarHBondContact O-CB 3.23Å; E256-S259 PolarHBondContact O-N 3.01Å; S259-N262 PolarHBondContact O-N 2.77Å; S259-Q263 WeakPolarHBondContact O-CB 2.94Å; S259-Q263 PolarHBondContact O-N 3.07Å |
| 260 | F | 76.2 | Confident | 61.4 | Low | 117 Ų | 117 | 131.8 Ų | 131.8 | 51% | 0.513 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -61.3 | -47.6 | 176.8 | 178.7 | -101.3 | 0 | 0 | 0 | 112.2 | E256 Q257 N262 Q263 M264 | E256-F260 WeakPolarHBondContact O-CB 3.37Å; E256-F260 PolarHBondContact O-N 3.28Å; Q257-F260 PolarHBondContact O-N 3.23Å; F260-N262 VanDerWaalsContact C-N 3.32Å; F260-N262 PolarHBondContact O-N 3Å; F260-Q263 WeakPolarHBondContact O-CB 3.34Å; F260-Q263 PolarHBondContact O-N 2.72Å; F260-M264 HydrophobicContact CD1-CG 4.27Å; F260-M264 HydrophobicContact CE1-CG 3.87Å; F260-M264 HydrophobicContact CE2-CG 4.15Å; F260-M264 HydrophobicContact CE2-SD 4.34Å; F260-M264 HydrophobicContact CZ-CE 4.48Å; F260-M264 HydrophobicContact CZ-CG 3.8Å; F260-M264 HydrophobicContact CZ-SD 4.11Å; F260-M264 WeakPolarHBondContact O-CG 3.39Å; F260-M264 PolarHBondContact O-N 3.14Å |
| 261 | L | 67.9 | Low | 61.2 | Low | 82 Ų | 82 | 127.3 Ų | 127.3 | 43% | 0.429 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62.9 | -38 | 177.5 | -74.6 | 173.9 | 0 | 0 | 0 | 112.6 | L253 Q257 Y258 M264 R265 | L253-L261 HydrophobicContact CD1-CD1 3.79Å; Q257-L261 WeakPolarHBondContact O-CG 3.39Å; Q257-L261 PolarHBondContact O-N 3.13Å; Y258-L261 PolarHBondContact O-N 2.98Å; L261-M264 PolarHBondContact O-N 3.47Å; L261-R265 WeakPolarHBondContact O-CB 2.98Å; L261-R265 PolarHBondContact O-N 3.06Å |
| 262 | N | 64.8 | Low | 60.8 | Low | 71 Ų | 71 | 124.5 Ų | 124.5 | 38% | 0.38 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.8 | -44.8 | 174 | -77.3 | -21.2 | 0 | 0 | 0 | 110.8 | Y258 S259 F260 M264 R265 F266 | Y258-N262 WeakPolarHBondContact O-CB 3.42Å; Y258-N262 VanDerWaalsContact O-CG 3.31Å; Y258-N262 PolarHBondContact O-N 3.45Å; Y258-N262 PolarHBondContact O-ND2 2.98Å; S259-N262 PolarHBondContact O-N 2.77Å; F260-N262 VanDerWaalsContact C-N 3.32Å; F260-N262 PolarHBondContact O-N 3Å; N262-M264 VanDerWaalsContact C-N 3.28Å; N262-M264 PolarHBondContact O-N 3.13Å; N262-R265 PolarHBondContact O-N 3.33Å; N262-F266 HydrophobicContact CB-CE2 4.34Å; N262-F266 WeakPolarHBondContact O-CD2 3.47Å; N262-F266 PolarHBondContact O-N 3.4Å |
| 263 | Q | 65.4 | Low | 60.2 | Low | 114 Ų | 114 | 117 Ų | 117 | 53% | 0.533 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -59.6 | -40.4 | 176.4 | -161.5 | 177.3 | 24 | 0 | 0 | 111.7 | S259 F260 K267 | S259-Q263 WeakPolarHBondContact O-CB 2.94Å; S259-Q263 PolarHBondContact O-N 3.07Å; F260-Q263 WeakPolarHBondContact O-CB 3.34Å; F260-Q263 PolarHBondContact O-N 2.72Å; Q263-K267 WeakPolarHBondContact O-CG 3.32Å; Q263-K267 PolarHBondContact O-N 3Å |
| 264 | M | 60.4 | Low | 59.1 | Low | 102 Ų | 102 | 119.9 Ų | 119.9 | 50% | 0.502 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -69.4 | -38.1 | 175.7 | -66.9 | -63.2 | -81.6 | 0 | 0 | 112.5 | F260 L261 N262 F266 K267 | F260-M264 HydrophobicContact CD1-CG 4.27Å; F260-M264 HydrophobicContact CE1-CG 3.87Å; F260-M264 HydrophobicContact CE2-CG 4.15Å; F260-M264 HydrophobicContact CE2-SD 4.34Å; F260-M264 HydrophobicContact CZ-CE 4.48Å; F260-M264 HydrophobicContact CZ-CG 3.8Å; F260-M264 HydrophobicContact CZ-SD 4.11Å; F260-M264 WeakPolarHBondContact O-CG 3.39Å; F260-M264 PolarHBondContact O-N 3.14Å; L261-M264 PolarHBondContact O-N 3.47Å; N262-M264 VanDerWaalsContact C-N 3.28Å; N262-M264 PolarHBondContact O-N 3.13Å; M264-F266 VanDerWaalsContact C-N 3.35Å; M264-F266 PolarHBondContact O-N 3.23Å; M264-K267 PolarHBondContact O-N 3.23Å; M264-K267 VanDerWaalsContact O-N 3.14Å |
| 265 | R | 60.2 | Low | 58.1 | Low | 192 Ų | 192 | 122 Ų | 122 | 73% | 0.725 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62.2 | -40.3 | 174.9 | -88.3 | -173.8 | -180 | -170.8 | 1.7 | 112.5 | L261 N262 K267 S268 | L261-R265 WeakPolarHBondContact O-CB 2.98Å; L261-R265 PolarHBondContact O-N 3.06Å; N262-R265 PolarHBondContact O-N 3.33Å; R265-K267 PolarHBondContact O-N 3.46Å; R265-S268 WeakPolarHBondContact O-CB 3.21Å; R265-S268 PolarHBondContact O-N 3.4Å; R265-S268 PolarHBondContact O-OG 2.82Å |
| 266 | F | 53.2 | Low | 56.8 | Low | 163 Ų | 163 | 117.2 Ų | 117.2 | 72% | 0.715 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -72.6 | -15.9 | 176.8 | -68.7 | -63.9 | 0 | 0 | 0 | 113.1 | N262 M264 S268 | N262-F266 HydrophobicContact CB-CE2 4.34Å; N262-F266 WeakPolarHBondContact O-CD2 3.47Å; N262-F266 PolarHBondContact O-N 3.4Å; M264-F266 VanDerWaalsContact C-N 3.35Å; M264-F266 PolarHBondContact O-N 3.23Å; F266-S268 VanDerWaalsContact C-N 3.29Å |
| 267 | K | 49.4 | Very low | 55.4 | Low | 124 Ų | 124 | 115.4 Ų | 115.4 | 54% | 0.539 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.3 | 15.8 | 170.8 | -70.2 | -174.4 | 177.3 | -170.5 | 0 | 113.7 | Q263 M264 R265 T269 | Q263-K267 WeakPolarHBondContact O-CG 3.32Å; Q263-K267 PolarHBondContact O-N 3Å; M264-K267 PolarHBondContact O-N 3.23Å; M264-K267 VanDerWaalsContact O-N 3.14Å; R265-K267 PolarHBondContact O-N 3.46Å; K267-T269 PolarHBondContact O-N 3.15Å |
| 268 | S | 46.4 | Very low | 53.9 | Low | 75 Ų | 75 | 114.9 Ų | 114.9 | 52% | 0.524 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -70.5 | 98.3 | 177.3 | 52.3 | 0 | 0 | 0 | 0 | 112.1 | R265 F266 Y270 | R265-S268 WeakPolarHBondContact O-CB 3.21Å; R265-S268 PolarHBondContact O-N 3.4Å; R265-S268 PolarHBondContact O-OG 2.82Å; F266-S268 VanDerWaalsContact C-N 3.29Å; S268-Y270 PolarHBondContact O-N 3.21Å |
| 269 | T | 50.9 | Low | 52.2 | Low | 114 Ų | 114 | 113.5 Ų | 113.5 | 70% | 0.699 | 58% | 0.58 | S | S | * | * | S | Bend | trans | 61.9 | -24.5 | 151.8 | -26.1 | 0 | 0 | 0 | 0 | 119.4 | K267 | K267-T269 PolarHBondContact O-N 3.15Š|
| 270 | Y | 42.3 | Very low | 50.8 | Low | 185 Ų | 185 | 114.5 Ų | 114.5 | 73% | 0.725 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -101.3 | -19.7 | 179.7 | -67.6 | -77.9 | 0 | 0 | 0 | 113.3 | S268 F274 | S268-Y270 PolarHBondContact O-N 3.21Å; Y270-F274 VanDerWaalsContact O-CD2 3.32Å; Y270-F274 WeakPolarHBondContact O-CD2 3.26Å |
| 271 | Q | 45.6 | Very low | 48.9 | Very low | 103 Ų | 103 | 115.8 Ų | 115.8 | 48% | 0.481 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -80.1 | -30.4 | -174.8 | -151.8 | 74.7 | 28.9 | 0 | 0 | 113.4 | S273 F274 N275 | Q271-S273 PolarHBondContact O-N 2.95Å; Q271-F274 PolarHBondContact O-N 2.77Å; Q271-N275 PolarHBondContact O-N 3.11Å; Q271-N275 VanDerWaalsContact O-N 3.13Å |
| 272 | D | 45.9 | Very low | 47.6 | Very low | 111 Ų | 111 | 118.8 Ų | 118.8 | 59% | 0.594 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -64.4 | -31 | 178.3 | -73.4 | -17.3 | 0 | 0 | 0 | 111.7 | F274 | D272-F274 VanDerWaalsContact C-N 3.32Å; D272-F274 PolarHBondContact O-N 3.08Å |
| 273 | S | 45.2 | Very low | 46.2 | Very low | 80 Ų | 80 | 123.2 Ų | 123.2 | 56% | 0.559 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -68.4 | -28.6 | 174.1 | -38.5 | 0 | 0 | 0 | 0 | 113.2 | Q271 | Q271-S273 PolarHBondContact O-N 2.95Å |
| 274 | F | 42.2 | Very low | 44.7 | Very low | 133 Ų | 133 | 127.3 Ų | 127.3 | 58% | 0.583 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -94.3 | -19.8 | -176.3 | -80.6 | -74 | 0 | 0 | 0 | 114.1 | Y270 Q271 D272 L276 L277 | Y270-F274 VanDerWaalsContact O-CD2 3.32Å; Y270-F274 WeakPolarHBondContact O-CD2 3.26Å; Q271-F274 PolarHBondContact O-N 2.77Å; D272-F274 VanDerWaalsContact C-N 3.32Å; D272-F274 PolarHBondContact O-N 3.08Å; F274-L276 PolarHBondContact O-N 2.76Å; F274-L277 PolarHBondContact O-N 3.04Å; F274-L277 VanDerWaalsContact O-N 3.12Å |
| 275 | N | 43.9 | Very low | 43.5 | Very low | 96 Ų | 96 | 129.7 Ų | 129.7 | 51% | 0.513 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -67.4 | -18.4 | 173.7 | -77.2 | -20.9 | 0 | 0 | 0 | 112.9 | Q271 L277 S278 | Q271-N275 PolarHBondContact O-N 3.11Å; Q271-N275 VanDerWaalsContact O-N 3.13Å; N275-L277 PolarHBondContact O-N 2.93Å; N275-S278 PolarHBondContact O-N 2.74Å |
| 276 | L | 47.8 | Very low | 42.5 | Very low | 132 Ų | 132 | 126 Ų | 126 | 69% | 0.691 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -20.9 | 172.8 | -122.8 | 147.9 | 0 | 0 | 0 | 112.9 | F274 | F274-L276 PolarHBondContact O-N 2.76Š|
| 277 | L | 43.2 | Very low | 41.8 | Very low | 122 Ų | 122 | 124.9 Ų | 124.9 | 64% | 0.639 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -22.7 | 179.2 | -108.5 | 78.2 | 0 | 0 | 0 | 113.9 | F274 N275 C279 C280 | F274-L277 PolarHBondContact O-N 3.04Å; F274-L277 VanDerWaalsContact O-N 3.12Å; N275-L277 PolarHBondContact O-N 2.93Å; L277-C279 VanDerWaalsContact C-N 3.29Å; L277-C279 PolarHBondContact O-N 2.93Å; L277-C280 PolarHBondContact O-N 3.38Å |
| 278 | S | 41.7 | Very low | 41.6 | Very low | 88 Ų | 88 | 127.6 Ų | 127.6 | 62% | 0.615 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -76 | -16.1 | -178.5 | -170.5 | 0 | 0 | 0 | 0 | 113.7 | N275 C280 | N275-S278 PolarHBondContact O-N 2.74Å; S278-C280 VanDerWaalsContact C-N 3.31Å |
| 279 | C | 36.8 | Very low | 41.2 | Very low | 104 Ų | 104 | 131 Ų | 131 | 70% | 0.703 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -82.4 | -7.6 | 176.7 | -57.3 | 0 | 0 | 0 | 0 | 113.3 | L277 | L277-C279 VanDerWaalsContact C-N 3.29Å; L277-C279 PolarHBondContact O-N 2.93Å |
| 280 | C | 37.3 | Very low | 40.5 | Very low | 97 Ų | 97 | 129.8 Ų | 129.8 | 66% | 0.655 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -89.5 | 3.8 | -178.8 | -66.1 | 0 | 0 | 0 | 0 | 114.4 | L277 S278 Q282 | L277-C280 PolarHBondContact O-N 3.38Å; S278-C280 VanDerWaalsContact C-N 3.31Å; C280-Q282 PolarHBondContact O-N 2.94Å; C280-Q282 VanDerWaalsContact O-N 3.15Å |
| 281 | N | 35.4 | Very low | 40.3 | Very low | 143 Ų | 143 | 128.7 Ų | 128.7 | 77% | 0.765 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -74.9 | 10.1 | 169.3 | -73.4 | -11.8 | 0 | 0 | 0 | 113.4 | L283 | N281-L283 VanDerWaalsContact C-N 3.26Å; N281-L283 PolarHBondContact O-N 3.16Å |
| 282 | Q | 40.8 | Very low | 40.1 | Very low | 146 Ų | 146 | 130.2 Ų | 130.2 | 68% | 0.682 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -66.8 | 98.2 | 155.7 | -83.3 | -174.5 | -4.6 | 0 | 0 | 107.8 | C280 R284 | C280-Q282 PolarHBondContact O-N 2.94Å; C280-Q282 VanDerWaalsContact O-N 3.15Å; Q282-R284 PolarHBondContact O-N 3.05Å |
| 283 | L | 37.2 | Very low | 40.2 | Very low | 163 Ų | 163 | 129 Ų | 129 | 85% | 0.853 | 68% | 0.682 | S | S | * | * | | | trans | -49.5 | 76.7 | 167.9 | -155.9 | 90.3 | 0 | 0 | 0 | 109.6 | N281 N285 | N281-L283 VanDerWaalsContact C-N 3.26Å; N281-L283 PolarHBondContact O-N 3.16Å; L283-N285 PolarHBondContact O-N 2.58Å |
| 284 | R | 33.3 | Very low | 40.6 | Very low | 200 Ų | 200 | 130.8 Ų | 130.8 | 76% | 0.755 | 69% | 0.69 | S | S | * | * | | | trans | -74.6 | 118.8 | 164.8 | -69 | -167.1 | -172.5 | -165.7 | 3 | 104.9 | Q282 I286 | Q282-R284 PolarHBondContact O-N 3.05Å; R284-I286 PolarHBondContact O-N 2.68Å |
| 285 | N | 34.3 | Very low | 40.7 | Very low | 152 Ų | 152 | 130.7 Ų | 130.7 | 81% | 0.813 | 69% | 0.691 | S | S | * | * | | | trans | -55.1 | 97.1 | 161.4 | -83.5 | -26.2 | 0 | 0 | 0 | 106.4 | L283 D287 | L283-N285 PolarHBondContact O-N 2.58Å; N285-D287 PolarHBondContact O-N 2.94Å; N285-D287 VanDerWaalsContact O-N 3.14Å |
| 286 | I | 40.7 | Very low | 40.9 | Very low | 116 Ų | 116 | 130.9 Ų | 130.9 | 60% | 0.595 | 69% | 0.689 | S | S | * | * | | | trans | -76.4 | 99.1 | 172.3 | -63.7 | 165.9 | 0 | 0 | 0 | 104 | R284 Q288 | R284-I286 PolarHBondContact O-N 2.68Å; I286-Q288 PolarHBondContact O-N 3.37Å |
| 287 | D | 37.5 | Very low | 41.2 | Very low | 138 Ų | 138 | 129.1 Ų | 129.1 | 74% | 0.738 | 68% | 0.679 | S | S | * | * | | | trans | -47.9 | 123 | 161.5 | -89 | -30.3 | 0 | 0 | 0 | 107.4 | N285 D289 | N285-D287 PolarHBondContact O-N 2.94Å; N285-D287 VanDerWaalsContact O-N 3.14Å; D287-D289 PolarHBondContact O-N 3.43Å |
| 288 | Q | 45.7 | Very low | 41.4 | Very low | 181 Ų | 181 | 128.6 Ų | 128.6 | 85% | 0.846 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -66.3 | 4.7 | -169.8 | -75.9 | -179.4 | -19.2 | 0 | 0 | 114.3 | I286 | I286-Q288 PolarHBondContact O-N 3.37Š|
| 289 | D | 37.9 | Very low | 41.8 | Very low | 147 Ų | 147 | 129.7 Ų | 129.7 | 79% | 0.786 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -87 | -2.7 | -176.3 | -73.2 | -16.1 | 0 | 0 | 0 | 114.8 | D287 | D287-D289 PolarHBondContact O-N 3.43Š|
| 290 | C | 36.6 | Very low | 42.6 | Very low | 89 Ų | 89 | 131 Ų | 131 | 60% | 0.601 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -95.8 | 1.2 | -176.8 | 74.4 | 0 | 0 | 0 | 0 | 115.9 | K292 | C290-K292 PolarHBondContact O-N 2.69Š|
| 291 | M | 38.4 | Very low | 43.6 | Very low | 161 Ų | 161 | 134.6 Ų | 134.6 | 79% | 0.793 | 67% | 0.673 | S | S | * | * | | | trans | -83.4 | 48.6 | 175.5 | -67.5 | -68.3 | 176.4 | 0 | 0 | 112.4 | | |
| 292 | K | 40.5 | Very low | 44.7 | Very low | 136 Ų | 136 | 130.7 Ų | 130.7 | 59% | 0.591 | 66% | 0.655 | S | S | * | * | | | trans | -83 | 123.4 | 166.2 | -70.9 | -172.4 | 174 | -164.4 | 0 | 108.9 | C290 V294 E296 | C290-K292 PolarHBondContact O-N 2.69Å; K292-V294 PolarHBondContact O-N 2.75Å; K292-E296 WeakPolarHBondContact CD-OE2 3.25Å |
| 293 | P | 47.2 | Very low | 45.2 | Very low | 84 Ų | 84 | 126.8 Ų | 126.8 | 55% | 0.545 | 65% | 0.654 | S | S | . | * | | | trans | -59.5 | 138.3 | -176.6 | 23.8 | -31.9 | 0 | 0 | 0 | 109.9 | H295 E296 | P293-H295 PolarHBondContact O-N 3.09Å; P293-E296 PolarHBondContact O-N 2.83Å |
| 294 | V | 54.5 | Low | 45.6 | Very low | 119 Ų | 119 | 125.7 Ų | 125.7 | 72% | 0.721 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -47.1 | -24.5 | -176.7 | 175.8 | 0 | 0 | 0 | 0 | 113.7 | K292 I297 Y298 | K292-V294 PolarHBondContact O-N 2.75Å; V294-I297 PolarHBondContact O-N 2.7Å; V294-Y298 PolarHBondContact O-N 3.25Å |
| 295 | H | 43.6 | Very low | 46.4 | Very low | 130 Ų | 130 | 120.7 Ų | 120.7 | 60% | 0.602 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -58.1 | -42.8 | 173.2 | -83.6 | -72.3 | 0 | 0 | 0 | 114.2 | P293 I297 Y298 E299 | P293-H295 PolarHBondContact O-N 3.09Å; H295-I297 VanDerWaalsContact C-N 3.32Å; H295-I297 PolarHBondContact O-N 3.26Å; H295-Y298 PolarHBondContact O-N 3.24Å; H295-E299 PolarHBondContact O-N 2.83Å |
| 296 | E | 49.4 | Very low | 47.1 | Very low | 101 Ų | 101 | 117.6 Ų | 117.6 | 47% | 0.472 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -68.2 | -34 | 179.8 | -76.6 | -172.9 | 171.4 | 0 | 0 | 111.8 | K292 P293 Y298 V300 | K292-E296 WeakPolarHBondContact CD-OE2 3.25Å; P293-E296 PolarHBondContact O-N 2.83Å; E296-Y298 VanDerWaalsContact C-N 3.33Å; E296-Y298 PolarHBondContact O-N 3.5Å; E296-V300 VanDerWaalsContact O-CG2 3.31Å; E296-V300 WeakPolarHBondContact O-CG2 3.39Å; E296-V300 PolarHBondContact O-N 3.05Å |
| 297 | I | 52.3 | Low | 47.4 | Very low | 94 Ų | 94 | 115.9 Ų | 115.9 | 48% | 0.482 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -70.2 | -33.5 | -176.5 | -55.5 | 175.2 | 0 | 0 | 0 | 111.1 | V294 H295 | V294-I297 PolarHBondContact O-N 2.7Å; H295-I297 VanDerWaalsContact C-N 3.32Å; H295-I297 PolarHBondContact O-N 3.26Å |
| 298 | Y | 47.7 | Very low | 47.8 | Very low | 112 Ų | 112 | 115.7 Ų | 115.7 | 44% | 0.439 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -76.6 | -45.3 | -179 | -158.6 | -87.6 | 0 | 0 | 0 | 111.8 | V294 H295 E296 V300 K301 T302 L306 | V294-Y298 PolarHBondContact O-N 3.25Å; H295-Y298 PolarHBondContact O-N 3.24Å; E296-Y298 VanDerWaalsContact C-N 3.33Å; E296-Y298 PolarHBondContact O-N 3.5Å; Y298-V300 VanDerWaalsContact C-N 3.33Å; Y298-V300 PolarHBondContact O-N 2.78Å; Y298-K301 PolarHBondContact O-N 3.02Å; Y298-K301 VanDerWaalsContact O-N 3.11Å; Y298-T302 VanDerWaalsContact CD1-OG1 3.26Å; Y298-T302 WeakPolarHBondContact CD1-OG1 3.46Å; Y298-T302 HydrophobicContact CE1-CG2 4.15Å; Y298-T302 WeakPolarHBondContact CE1-OG1 3.46Å; Y298-T302 PolarHBondContact O-N 2.64Å; Y298-T302 VanDerWaalsContact O-N 3.07Å; Y298-T302 PolarHBondContact O-OG1 3.15Å; Y298-L306 HydrophobicContact CD1-CD1 3.51Å; Y298-L306 HydrophobicContact CD1-CD2 3.95Å; Y298-L306 HydrophobicContact CD1-CG 3.48Å; Y298-L306 VanDerWaalsContact CD1-CG 3.48Å; Y298-L306 HydrophobicContact CD2-CD1 4.3Å; Y298-L306 HydrophobicContact CE1-CD1 3.86Å; Y298-L306 HydrophobicContact CE1-CD2 3.41Å; Y298-L306 VanDerWaalsContact CE1-CD2 3.41Å; Y298-L306 HydrophobicContact CE1-CG 3.5Å; Y298-L306 VanDerWaalsContact CE1-CG 3.5Å; Y298-L306 HydrophobicContact CG-CD1 3.74Å; Y298-L306 HydrophobicContact CG-CG 4.24Å |
| 299 | E | 49.8 | Very low | 47.9 | Very low | 111 Ų | 111 | 111.5 Ų | 111.5 | 52% | 0.519 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -61.3 | -39.6 | 179.4 | -83 | -173.2 | 158.9 | 0 | 0 | 112.6 | H295 K301 G303 | H295-E299 PolarHBondContact O-N 2.83Å; E299-K301 VanDerWaalsContact C-N 3.27Å; E299-K301 PolarHBondContact O-N 3.35Å; E299-G303 PolarHBondContact O-N 3.37Å; E299-G303 VanDerWaalsContact O-N 3.1Å |
| 300 | V | 55.2 | Low | 48.1 | Very low | 131 Ų | 131 | 111.6 Ų | 111.6 | 79% | 0.794 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -66 | -29.4 | 177.6 | 174.5 | 0 | 0 | 0 | 0 | 112.2 | E296 Y298 | E296-V300 VanDerWaalsContact O-CG2 3.31Å; E296-V300 WeakPolarHBondContact O-CG2 3.39Å; E296-V300 PolarHBondContact O-N 3.05Å; Y298-V300 VanDerWaalsContact C-N 3.33Å; Y298-V300 PolarHBondContact O-N 2.78Å |
| 301 | K | 57.2 | Low | 48.3 | Very low | 172 Ų | 172 | 112.4 Ų | 112.4 | 75% | 0.748 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -90.8 | -31.3 | -175.5 | -80.4 | -172.6 | 176.6 | -177.1 | 0 | 114.7 | Y298 E299 | Y298-K301 PolarHBondContact O-N 3.02Å; Y298-K301 VanDerWaalsContact O-N 3.11Å; E299-K301 VanDerWaalsContact C-N 3.27Å; E299-K301 PolarHBondContact O-N 3.35Å |
| 302 | T | 59.8 | Low | 48.2 | Very low | 61 Ų | 61 | 111.6 Ų | 111.6 | 37% | 0.374 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -117.3 | -8 | -173.2 | 54.4 | 0 | 0 | 0 | 0 | 114.1 | Y298 H304 | Y298-T302 VanDerWaalsContact CD1-OG1 3.26Å; Y298-T302 WeakPolarHBondContact CD1-OG1 3.46Å; Y298-T302 HydrophobicContact CE1-CG2 4.15Å; Y298-T302 WeakPolarHBondContact CE1-OG1 3.46Å; Y298-T302 PolarHBondContact O-N 2.64Å; Y298-T302 VanDerWaalsContact O-N 3.07Å; Y298-T302 PolarHBondContact O-OG1 3.15Å; T302-H304 PolarHBondContact O-CD2 3.09Å; T302-H304 VanDerWaalsContact O-CD2 3.26Å; T302-H304 PolarHBondContact O-N 3.25Å |
| 303 | G | 51.3 | Low | 48.2 | Very low | 65 Ų | 65 | 113.8 Ų | 113.8 | 67% | 0.67 | 61% | 0.606 | S | S | * | * | S | Bend | trans | 62.4 | 6.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | E299 | E299-G303 PolarHBondContact O-N 3.37Å; E299-G303 VanDerWaalsContact O-N 3.1Å |
| 304 | H | 45 | Very low | 47.6 | Very low | 140 Ų | 140 | 114 Ų | 114 | 65% | 0.648 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -118.4 | 120.4 | 179.8 | -68.8 | -53.7 | 0 | 0 | 0 | 108.9 | T302 L306 | T302-H304 PolarHBondContact O-CD2 3.09Å; T302-H304 VanDerWaalsContact O-CD2 3.26Å; T302-H304 PolarHBondContact O-N 3.25Å; H304-L306 PolarHBondContact O-N 3.25Å; H304-L306 VanDerWaalsContact O-N 3.15Å |
| 305 | P | 49 | Very low | 46.9 | Very low | 95 Ų | 95 | 117 Ų | 117 | 62% | 0.617 | 62% | 0.618 | S | S | * | * | | | trans | -60.6 | 122.4 | 171.6 | 25.5 | -31.4 | 0 | 0 | 0 | 107.4 | S307 | P305-S307 PolarHBondContact O-N 3.27Š|
| 306 | L | 49.2 | Very low | 46.7 | Very low | 87 Ų | 87 | 116 Ų | 116 | 46% | 0.455 | 62% | 0.623 | S | S | . | * | | | trans | -54.9 | 113.3 | 173.5 | -79.9 | 166.9 | 0 | 0 | 0 | 107.6 | Y298 H304 L308 | Y298-L306 HydrophobicContact CD1-CD1 3.51Å; Y298-L306 HydrophobicContact CD1-CD2 3.95Å; Y298-L306 HydrophobicContact CD1-CG 3.48Å; Y298-L306 VanDerWaalsContact CD1-CG 3.48Å; Y298-L306 HydrophobicContact CD2-CD1 4.3Å; Y298-L306 HydrophobicContact CE1-CD1 3.86Å; Y298-L306 HydrophobicContact CE1-CD2 3.41Å; Y298-L306 VanDerWaalsContact CE1-CD2 3.41Å; Y298-L306 HydrophobicContact CE1-CG 3.5Å; Y298-L306 VanDerWaalsContact CE1-CG 3.5Å; Y298-L306 HydrophobicContact CG-CD1 3.74Å; Y298-L306 HydrophobicContact CG-CG 4.24Å; H304-L306 PolarHBondContact O-N 3.25Å; H304-L306 VanDerWaalsContact O-N 3.15Å; L306-L308 PolarHBondContact O-N 3.27Å; L306-L308 VanDerWaalsContact O-N 3.12Å |
| 307 | S | 47.7 | Very low | 45.9 | Very low | 79 Ų | 79 | 115.2 Ų | 115.2 | 55% | 0.552 | 63% | 0.629 | S | S | * | * | | | trans | -52.2 | 122.8 | -178.9 | 60.4 | 0 | 0 | 0 | 0 | 108.8 | P305 T309 | P305-S307 PolarHBondContact O-N 3.27Å; S307-T309 PolarHBondContact O-N 3Å; S307-T309 PolarHBondContact O-OG1 3.1Å; S307-T309 PolarHBondContact OG-OG1 3.34Å |
| 308 | L | 46.4 | Very low | 45 | Very low | 134 Ų | 134 | 122 Ų | 122 | 70% | 0.702 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -63 | 14 | -172.8 | -127.8 | 83 | 0 | 0 | 0 | 114.7 | L306 H310 L311 | L306-L308 PolarHBondContact O-N 3.27Å; L306-L308 VanDerWaalsContact O-N 3.12Å; L308-H310 VanDerWaalsContact C-N 3.26Å; L308-H310 PolarHBondContact O-N 3.02Å; L308-L311 HydrophobicContact CD1-CD1 4.37Å; L308-L311 HydrophobicContact CG-CD1 4.05Å; L308-L311 PolarHBondContact O-N 3.22Å |
| 309 | T | 46.6 | Very low | 44.2 | Very low | 94 Ų | 94 | 125.1 Ų | 125.1 | 58% | 0.577 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -74.3 | -13.2 | -176.1 | 52.6 | 0 | 0 | 0 | 0 | 113.3 | S307 L311 | S307-T309 PolarHBondContact O-N 3Å; S307-T309 PolarHBondContact O-OG1 3.1Å; S307-T309 PolarHBondContact OG-OG1 3.34Å; T309-L311 VanDerWaalsContact C-N 3.35Å |
| 310 | H | 41.9 | Very low | 43.3 | Very low | 149 Ų | 149 | 125 Ų | 125 | 69% | 0.69 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -87.1 | -2.4 | 173.3 | -57.3 | -61.8 | 0 | 0 | 0 | 113.9 | L308 | L308-H310 VanDerWaalsContact C-N 3.26Å; L308-H310 PolarHBondContact O-N 3.02Å |
| 311 | L | 41.2 | Very low | 42.1 | Very low | 106 Ų | 106 | 126.1 Ų | 126.1 | 56% | 0.555 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -99.5 | 3 | 178.9 | -83.4 | 159.2 | 0 | 0 | 0 | 114.1 | L308 T309 F313 | L308-L311 HydrophobicContact CD1-CD1 4.37Å; L308-L311 HydrophobicContact CG-CD1 4.05Å; L308-L311 PolarHBondContact O-N 3.22Å; T309-L311 VanDerWaalsContact C-N 3.35Å; L311-F313 CarbonylContact O-C 3.5Å; L311-F313 PolarHBondContact O-N 2.76Å; L311-F313 VanDerWaalsContact O-N 3.13Å |
| 312 | D | 36.6 | Very low | 40.8 | Very low | 144 Ų | 144 | 125.3 Ų | 125.3 | 77% | 0.77 | 68% | 0.675 | S | S | * | * | | | trans | -75.9 | 11.9 | 172 | -80.2 | -14.4 | 0 | 0 | 0 | 113.9 | A314 | D312-A314 PolarHBondContact O-N 3.07Š|
| 313 | F | 39.9 | Very low | 39.5 | Very low | 182 Ų | 182 | 127.8 Ų | 127.8 | 80% | 0.798 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -68.9 | 83.2 | 147.5 | -66.4 | -72.1 | 0 | 0 | 0 | 107.1 | L311 K315 | L311-F313 CarbonylContact O-C 3.5Å; L311-F313 PolarHBondContact O-N 2.76Å; L311-F313 VanDerWaalsContact O-N 3.13Å; F313-K315 VanDerWaalsContact C-N 3.28Å; F313-K315 PolarHBondContact O-N 3.03Å |
| 314 | A | 36 | Very low | 38.7 | Very low | 89 Ų | 89 | 129.9 Ų | 129.9 | 74% | 0.736 | 69% | 0.691 | S | S | * | * | | | trans | -40.6 | 101.1 | 163.3 | 0 | 0 | 0 | 0 | 0 | 106.8 | D312 P316 | D312-A314 PolarHBondContact O-N 3.07Å; A314-P316 VanDerWaalsContact O-N 3.09Å |
| 315 | K | 39.9 | Very low | 38.1 | Very low | 180 Ų | 180 | 129.5 Ų | 129.5 | 78% | 0.783 | 70% | 0.699 | S | S | * | * | | | trans | -42.5 | 127.1 | 163.1 | -77.1 | 175.5 | 179 | 173.1 | 0 | 103.6 | F313 S317 | F313-K315 VanDerWaalsContact C-N 3.28Å; F313-K315 PolarHBondContact O-N 3.03Å; K315-S317 PolarHBondContact O-N 3.41Å |
| 316 | P | 38.5 | Very low | 37.3 | Very low | 109 Ų | 109 | 134 Ų | 134 | 71% | 0.708 | 71% | 0.709 | S | S | * | * | | | trans | -57.9 | 94.4 | 177.1 | -8.8 | 16.9 | 0 | 0 | 0 | 105.6 | A314 W318 | A314-P316 VanDerWaalsContact O-N 3.09Å; P316-W318 PolarHBondContact O-N 3.04Å |
| 317 | S | 31.9 | Very low | 36.5 | Very low | 86 Ų | 86 | 139 Ų | 139 | 60% | 0.601 | 73% | 0.727 | S | S | * | * | | | trans | -69.8 | 103.1 | 170.7 | 58.9 | 0 | 0 | 0 | 0 | 100.3 | K315 K319 | K315-S317 PolarHBondContact O-N 3.41Å; S317-K319 PolarHBondContact O-N 2.82Å |
| 318 | W | 35.3 | Very low | 35.8 | Very low | 235 Ų | 235 | 142.1 Ų | 142.1 | 89% | 0.89 | 74% | 0.737 | S | S | * | * | | | trans | -58.8 | 86.8 | 161.1 | -65.5 | 67.7 | 0 | 0 | 0 | 103.6 | P316 C320 | P316-W318 PolarHBondContact O-N 3.04Å; W318-C320 PolarHBondContact O-N 3.39Å |
| 319 | K | 30.3 | Very low | 35.4 | Very low | 178 Ų | 178 | 139.4 Ų | 139.4 | 77% | 0.774 | 74% | 0.735 | S | S | * | * | | | trans | -62.5 | 98.2 | 165.7 | -72.1 | -172.9 | 178.5 | -176.9 | 0 | 102 | S317 Q321 | S317-K319 PolarHBondContact O-N 2.82Å; K319-Q321 PolarHBondContact O-N 3.41Å |
| 320 | C | 30.9 | Very low | 34.8 | Very low | 109 Ų | 109 | 140 Ų | 140 | 74% | 0.736 | 73% | 0.734 | S | S | * | * | | | trans | -51.6 | 98.8 | 157.8 | -73.7 | 0 | 0 | 0 | 0 | 104.1 | W318 N322 | W318-C320 PolarHBondContact O-N 3.39Å; C320-N322 PolarHBondContact O-N 2.84Å |
| 321 | Q | 28.8 | Very low | 34.6 | Very low | 155 Ų | 155 | 140.9 Ų | 140.9 | 72% | 0.724 | 74% | 0.738 | S | S | * | * | | | trans | -57 | 117.2 | 165 | -85 | 177.8 | -25.2 | 0 | 0 | 103.5 | K319 N323 | K319-Q321 PolarHBondContact O-N 3.41Å; Q321-N323 PolarHBondContact O-N 3.45Å |
| 322 | N | 31.5 | Very low | 34.1 | Very low | 154 Ų | 154 | 143 Ų | 143 | 82% | 0.824 | 74% | 0.743 | S | S | * | * | | | trans | -63.8 | 62.9 | 169.2 | -66 | -21.1 | 0 | 0 | 0 | 108.2 | C320 S324 | C320-N322 PolarHBondContact O-N 2.84Å; N322-S324 PolarHBondContact O-N 3.43Å; N322-S324 VanDerWaalsContact O-N 3.13Å |
| 323 | N | 32.5 | Very low | 34 | Very low | 113 Ų | 113 | 145 Ų | 145 | 60% | 0.604 | 75% | 0.746 | S | S | * | * | | | trans | -81.2 | 90.1 | 162.4 | -70.4 | -7.8 | 0 | 0 | 0 | 103.4 | Q321 T325 | Q321-N323 PolarHBondContact O-N 3.45Å; N323-T325 PolarHBondContact O-N 2.72Å |
| 324 | S | 33.6 | Very low | 33.9 | Very low | 110 Ų | 110 | 142.5 Ų | 142.5 | 77% | 0.769 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -54.9 | 79.9 | 170.4 | 53 | 0 | 0 | 0 | 0 | 109.6 | N322 | N322-S324 PolarHBondContact O-N 3.43Å; N322-S324 VanDerWaalsContact O-N 3.13Å |
| 325 | T | 33.6 | Very low | 34.2 | Very low | 131 Ų | 131 | 144.8 Ų | 144.8 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | | | trans | -174 | 32 | 164.3 | 11.1 | 0 | 0 | 0 | 0 | 110.5 | N323 K327 | N323-T325 PolarHBondContact O-N 2.72Å; T325-K327 PolarHBondContact O-N 3.48Å |
| 326 | F | 32.2 | Very low | 34.3 | Very low | 189 Ų | 189 | 141.4 Ų | 141.4 | 83% | 0.829 | 75% | 0.745 | S | S | * | * | | | trans | -86 | 96.3 | 157.4 | -125.9 | -95.1 | 0 | 0 | 0 | 106.3 | D328 | F326-D328 PolarHBondContact O-N 3.3Å; F326-D328 VanDerWaalsContact O-N 3.13Å |
| 327 | K | 31.2 | Very low | 34.3 | Very low | 193 Ų | 193 | 144.9 Ų | 144.9 | 84% | 0.839 | 75% | 0.749 | S | S | * | * | | | trans | -57 | 120.6 | 166.2 | -75.9 | -154.3 | 171.9 | -167.6 | 0 | 106.5 | T325 A329 | T325-K327 PolarHBondContact O-N 3.48Å; K327-A329 PolarHBondContact O-N 2.9Å |
| 328 | D | 34.1 | Very low | 34.7 | Very low | 144 Ų | 144 | 148.2 Ų | 148.2 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | | | trans | -40.2 | 106.3 | 175.8 | -62.6 | -52.1 | 0 | 0 | 0 | 108.7 | F326 D330 | F326-D328 PolarHBondContact O-N 3.3Å; F326-D328 VanDerWaalsContact O-N 3.13Å; D328-D330 PolarHBondContact O-N 3.37Å |
| 329 | A | 36.3 | Very low | 34.8 | Very low | 78 Ų | 78 | 144.8 Ų | 144.8 | 65% | 0.645 | 75% | 0.751 | S | S | * | * | | | trans | -70.3 | 87.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 103.6 | K327 E331 | K327-A329 PolarHBondContact O-N 2.9Å; A329-E331 VanDerWaalsContact C-N 3.34Å; A329-E331 PolarHBondContact O-N 3.48Å |
| 330 | D | 34.4 | Very low | 35.4 | Very low | 107 Ų | 107 | 143 Ų | 143 | 57% | 0.572 | 75% | 0.749 | S | S | * | * | | | trans | -44.5 | 105.2 | 170.8 | -68.8 | -25.6 | 0 | 0 | 0 | 107 | D328 K332 | D328-D330 PolarHBondContact O-N 3.37Å; D330-K332 HydrophobicContact CB-CD 4.31Å; D330-K332 HydrophobicContact CB-CG 3.87Å; D330-K332 PolarHBondContact O-N 3.33Å; D330-K332 VanDerWaalsContact OD2-CE 3.28Å; D330-K332 WeakPolarHBondContact OD2-CE 3.24Å; D330-K332 IonicContact OD2-NZ 3.45Å; D330-K332 PolarHBondContact OD2-NZ 3.49Å |
| 331 | E | 37.6 | Very low | 35.9 | Very low | 166 Ų | 166 | 143.9 Ų | 143.9 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | | | trans | -68.6 | 72.1 | 170.4 | -67.6 | -168.7 | 160.8 | 0 | 0 | 107 | A329 F333 | A329-E331 VanDerWaalsContact C-N 3.34Å; A329-E331 PolarHBondContact O-N 3.48Å; E331-F333 WeakPolarHBondContact O-CD2 3.03Å; E331-F333 PolarHBondContact O-N 3.29Å |
| 332 | K | 32.1 | Very low | 36.7 | Very low | 150 Ų | 150 | 142.3 Ų | 142.3 | 65% | 0.652 | 75% | 0.752 | S | S | * | * | | | trans | -73.1 | 98.5 | 173.8 | -67.2 | -175.2 | -175.9 | 172.9 | 0 | 106.7 | D330 L334 | D330-K332 HydrophobicContact CB-CD 4.31Å; D330-K332 HydrophobicContact CB-CG 3.87Å; D330-K332 PolarHBondContact O-N 3.33Å; D330-K332 VanDerWaalsContact OD2-CE 3.28Å; D330-K332 WeakPolarHBondContact OD2-CE 3.24Å; D330-K332 IonicContact OD2-NZ 3.45Å; D330-K332 PolarHBondContact OD2-NZ 3.49Å; K332-L334 PolarHBondContact O-N 3.23Å |
| 333 | F | 33.8 | Very low | 37.3 | Very low | 188 Ų | 188 | 140.2 Ų | 140.2 | 83% | 0.825 | 75% | 0.747 | S | S | * | * | | | trans | -58 | 73.9 | 161.6 | -72.6 | -91 | 0 | 0 | 0 | 110 | E331 N335 | E331-F333 WeakPolarHBondContact O-CD2 3.03Å; E331-F333 PolarHBondContact O-N 3.29Å; F333-N335 PolarHBondContact O-N 2.92Å |
| 334 | L | 36.8 | Very low | 37.8 | Very low | 129 Ų | 129 | 140.8 Ų | 140.8 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | | | trans | -84.4 | 102 | 168.6 | -103.2 | 156 | 0 | 0 | 0 | 108.2 | K332 | K332-L334 PolarHBondContact O-N 3.23Š|
| 335 | N | 42.6 | Very low | 38.2 | Very low | 136 Ų | 136 | 140.7 Ų | 140.7 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 57.7 | 60.3 | 162.9 | -59.5 | -12.6 | 0 | 0 | 0 | 115.9 | F333 K337 | F333-N335 PolarHBondContact O-N 2.92Å; N335-K337 PolarHBondContact O-N 2.75Å |
| 336 | A | 43.2 | Very low | 38.9 | Very low | 110 Ų | 110 | 146.2 Ų | 146.2 | 91% | 0.909 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 51.2 | 27.8 | 163 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 337 | K | 38.7 | Very low | 39.4 | Very low | 182 Ų | 182 | 147.2 Ų | 147.2 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | | | trans | -109.4 | 97.1 | 172.3 | -83.9 | -179 | 179 | 171.8 | 0 | 110.2 | N335 K339 | N335-K337 PolarHBondContact O-N 2.75Å; K337-K339 PolarHBondContact O-N 3.07Å |
| 338 | L | 39 | Very low | 39.7 | Very low | 155 Ų | 155 | 141.9 Ų | 141.9 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | | | trans | -64.6 | 101.7 | 176 | -144.7 | 149.3 | 0 | 0 | 0 | 109 | L340 | L338-L340 HydrophobicContact CD2-CD2 4.16Å; L338-L340 HydrophobicContact CD2-CG 4.04Å; L338-L340 PolarHBondContact O-N 2.73Å; L338-L340 VanDerWaalsContact O-N 3.13Å |
| 339 | K | 37.3 | Very low | 40.1 | Very low | 164 Ų | 164 | 137.6 Ų | 137.6 | 71% | 0.713 | 74% | 0.74 | S | S | * | * | | | trans | -85 | 85.9 | -176.9 | -161.8 | 180 | -178.1 | -174.2 | 0 | 108.5 | K337 T341 | K337-K339 PolarHBondContact O-N 3.07Å; K339-T341 PolarHBondContact O-N 3.01Å; K339-T341 VanDerWaalsContact O-N 3.07Å |
| 340 | L | 43.3 | Very low | 40.6 | Very low | 141 Ų | 141 | 141.5 Ų | 141.5 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | | | trans | -63.3 | 108.9 | 173.6 | -77.8 | 164.5 | 0 | 0 | 0 | 109.9 | L338 V342 | L338-L340 HydrophobicContact CD2-CD2 4.16Å; L338-L340 HydrophobicContact CD2-CG 4.04Å; L338-L340 PolarHBondContact O-N 2.73Å; L338-L340 VanDerWaalsContact O-N 3.13Å; L340-V342 PolarHBondContact O-N 2.91Å |
| 341 | T | 41.3 | Very low | 41 | Very low | 127 Ų | 127 | 144 Ų | 144 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | | | trans | -89.1 | 95.1 | 173.3 | -47 | 0 | 0 | 0 | 0 | 107.1 | K339 | K339-T341 PolarHBondContact O-N 3.01Å; K339-T341 VanDerWaalsContact O-N 3.07Å |
| 342 | V | 46.6 | Very low | 41.4 | Very low | 121 Ų | 121 | 143.7 Ų | 143.7 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | | | trans | -69.7 | 126.3 | 179 | -175.5 | 0 | 0 | 0 | 0 | 108.6 | L340 C344 | L340-V342 PolarHBondContact O-N 2.91Å; V342-C344 PolarHBondContact O-N 2.74Å |
| 343 | P | 42.3 | Very low | 42.1 | Very low | 110 Ų | 110 | 143.1 Ų | 143.1 | 71% | 0.714 | 76% | 0.759 | S | S | * | * | | | trans | -63.8 | 131.4 | 179.8 | 22.9 | -31.3 | 0 | 0 | 0 | 110.8 | T345 | P343-T345 PolarHBondContact O-N 3.13Š|
| 344 | C | 43.6 | Very low | 42.6 | Very low | 126 Ų | 126 | 141.1 Ų | 141.1 | 85% | 0.851 | 76% | 0.757 | S | S | * | * | | | trans | -54.8 | 107.2 | -175.8 | -161.3 | 0 | 0 | 0 | 0 | 110.7 | V342 | V342-C344 PolarHBondContact O-N 2.74Š|
| 345 | T | 42.8 | Very low | 43 | Very low | 107 Ų | 107 | 144.5 Ų | 144.5 | 66% | 0.656 | 76% | 0.761 | S | S | * | * | | | trans | -65.7 | 139 | 175.6 | 49.6 | 0 | 0 | 0 | 0 | 110 | P343 Y347 | P343-T345 PolarHBondContact O-N 3.13Å; T345-Y347 PolarHBondContact O-N 2.67Å |
| 346 | R | 47.3 | Very low | 43 | Very low | 248 Ų | 248 | 145.5 Ų | 145.5 | 94% | 0.936 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -59 | 4.8 | -171.9 | -150.4 | -178.7 | -85.4 | -161.5 | -4.3 | 115.9 | | |
| 347 | Y | 43.5 | Very low | 43.2 | Very low | 209 Ų | 209 | 145.9 Ų | 145.9 | 82% | 0.82 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -102.2 | 109.4 | 176.9 | -69 | -77.4 | 0 | 0 | 0 | 109.3 | T345 | T345-Y347 PolarHBondContact O-N 2.67Š|
| 348 | G | 36.8 | Very low | 43.2 | Very low | 82 Ų | 82 | 149.2 Ų | 149.2 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | | | trans | -57.4 | 132 | -161.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 349 | S | 42.7 | Very low | 43.2 | Very low | 53 Ų | 53 | 145.1 Ų | 145.1 | 37% | 0.371 | 76% | 0.758 | S | S | . | * | | | trans | -158.3 | 105.6 | 133 | 174.2 | 0 | 0 | 0 | 0 | 106.6 | K351 H353 | S349-K351 PolarHBondContact O-N 3.13Å; S349-K351 PolarHBondContact OG-N 3Å; S349-H353 WeakPolarHBondContact CB-NE2 3.44Å; S349-H353 PolarHBondContact OG-CE1 3.16Å; S349-H353 PolarHBondContact OG-NE2 2.98Å |
| 350 | N | 47.4 | Very low | 43.3 | Very low | 161 Ų | 161 | 144.8 Ų | 144.8 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | | | trans | -79.9 | 14.9 | 171.9 | 59.8 | -22.1 | 0 | 0 | 0 | 112.1 | | |
| 351 | K | 42.5 | Very low | 43.3 | Very low | 159 Ų | 159 | 145 Ų | 145 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -89.8 | 128.2 | 172.5 | -65.7 | -173.1 | 178.1 | -176.1 | 0 | 107.8 | S349 H353 | S349-K351 PolarHBondContact O-N 3.13Å; S349-K351 PolarHBondContact OG-N 3Å; K351-H353 VanDerWaalsContact C-N 3.29Å; K351-H353 PolarHBondContact O-CD2 2.78Å; K351-H353 PolarHBondContact O-N 2.84Å |
| 352 | N | 46.6 | Very low | 43.4 | Very low | 159 Ų | 159 | 144.2 Ų | 144.2 | 85% | 0.85 | 76% | 0.76 | S | S | * | * | | | trans | -54.2 | 97.3 | 168.9 | -66.3 | -26.8 | 0 | 0 | 0 | 107.9 | N354 | N352-N354 PolarHBondContact O-N 3.03Å; N352-N354 VanDerWaalsContact O-N 3.16Å |
| 353 | H | 45.4 | Very low | 43.5 | Very low | 139 Ų | 139 | 144.2 Ų | 144.2 | 64% | 0.644 | 76% | 0.761 | S | S | * | * | | | trans | -65.4 | 118.2 | 169.8 | -67.4 | -72.6 | 0 | 0 | 0 | 106 | S349 K351 R355 | S349-H353 WeakPolarHBondContact CB-NE2 3.44Å; S349-H353 PolarHBondContact OG-CE1 3.16Å; S349-H353 PolarHBondContact OG-NE2 2.98Å; K351-H353 VanDerWaalsContact C-N 3.29Å; K351-H353 PolarHBondContact O-CD2 2.78Å; K351-H353 PolarHBondContact O-N 2.84Å; H353-R355 PolarHBondContact O-N 2.76Å |
| 354 | N | 44.2 | Very low | 43.7 | Very low | 146 Ų | 146 | 145.1 Ų | 145.1 | 78% | 0.781 | 76% | 0.764 | S | S | * | * | | | trans | -51.7 | 120.6 | 168.3 | -80.5 | -15.9 | 0 | 0 | 0 | 106.6 | N352 I356 | N352-N354 PolarHBondContact O-N 3.03Å; N352-N354 VanDerWaalsContact O-N 3.16Å; N354-I356 VanDerWaalsContact C-N 3.32Å; N354-I356 WeakPolarHBondContact O-CG1 3.34Å; N354-I356 PolarHBondContact O-N 3.35Å |
| 355 | R | 46.7 | Very low | 44 | Very low | 199 Ų | 199 | 146 Ų | 146 | 75% | 0.751 | 76% | 0.758 | S | S | * | * | | | trans | -71.4 | 86.6 | -169.6 | -167.2 | 177.7 | 179.1 | -177 | 1 | 108.9 | H353 T357 | H353-R355 PolarHBondContact O-N 2.76Å; R355-T357 PolarHBondContact O-N 2.88Å |
| 356 | I | 42.9 | Very low | 44.4 | Very low | 157 Ų | 157 | 147 Ų | 147 | 81% | 0.805 | 77% | 0.765 | S | S | * | * | | | trans | -80.8 | 70.6 | 176.7 | -49.3 | 166.7 | 0 | 0 | 0 | 108.2 | N354 | N354-I356 VanDerWaalsContact C-N 3.32Å; N354-I356 WeakPolarHBondContact O-CG1 3.34Å; N354-I356 PolarHBondContact O-N 3.35Å |
| 357 | T | 46.6 | Very low | 44.5 | Very low | 118 Ų | 118 | 141.1 Ų | 141.1 | 72% | 0.724 | 76% | 0.756 | S | S | * | * | | | trans | 177.9 | 109.1 | 154.6 | 37.7 | 0 | 0 | 0 | 0 | 109.3 | R355 | R355-T357 PolarHBondContact O-N 2.88Š|
| 358 | R | 38.1 | Very low | 44.9 | Very low | 253 Ų | 253 | 139.3 Ų | 139.3 | 96% | 0.955 | 78% | 0.784 | S | S | * | * | | | trans | -96.9 | 94.4 | 158.3 | -76.3 | -178.8 | 171.8 | 176.6 | -1.9 | 106.8 | | |
| 359 | G | 39.4 | Very low | 45.3 | Very low | 68 Ų | 68 | 142.2 Ų | 142.2 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 123.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 360 | I | 40.5 | Very low | 45.5 | Very low | 158 Ų | 158 | 146.8 Ų | 146.8 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 118.6 | 168.9 | -60.5 | 171.9 | 0 | 0 | 0 | 106.2 | P362 | I360-P362 WeakPolarHBondContact O-CD 3.28Š|
| 361 | I | 42.7 | Very low | 45.4 | Very low | 146 Ų | 146 | 146.1 Ų | 146.1 | 75% | 0.749 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 117.6 | 170.2 | -58 | 173.4 | 0 | 0 | 0 | 106 | T363 | I361-T363 PolarHBondContact O-N 3.13Å; I361-T363 VanDerWaalsContact O-N 3.1Å |
| 362 | P | 44.1 | Very low | 45.5 | Very low | 109 Ų | 109 | 145.3 Ų | 145.3 | 71% | 0.708 | 81% | 0.806 | S | S | * | * | | | trans | -68.2 | 110.3 | 174.1 | 26.3 | -30.6 | 0 | 0 | 0 | 108.7 | I360 V364 | I360-P362 WeakPolarHBondContact O-CD 3.28Å; P362-V364 PolarHBondContact O-N 2.79Å |
| 363 | T | 48.7 | Very low | 45.5 | Very low | 122 Ų | 122 | 144.4 Ų | 144.4 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | | | trans | -67.5 | 113.7 | 166 | 33.5 | 0 | 0 | 0 | 0 | 108.2 | I361 I365 | I361-T363 PolarHBondContact O-N 3.13Å; I361-T363 VanDerWaalsContact O-N 3.1Å; T363-I365 PolarHBondContact O-N 2.72Å; T363-I365 VanDerWaalsContact O-N 3.09Å |
| 364 | V | 46.3 | Very low | 45.5 | Very low | 129 Ų | 129 | 144.8 Ų | 144.8 | 78% | 0.782 | 81% | 0.814 | S | S | * | * | | | trans | -64.6 | 107.7 | 170.7 | 178.8 | 0 | 0 | 0 | 0 | 107.2 | P362 T366 | P362-V364 PolarHBondContact O-N 2.79Å; V364-T366 PolarHBondContact O-N 2.86Å |
| 365 | I | 49.4 | Very low | 45.5 | Very low | 144 Ų | 144 | 144.7 Ų | 144.7 | 74% | 0.738 | 82% | 0.816 | S | S | * | * | | | trans | -75.8 | 106.5 | 169.7 | -59.6 | 172.5 | 0 | 0 | 0 | 105.8 | T363 T367 | T363-I365 PolarHBondContact O-N 2.72Å; T363-I365 VanDerWaalsContact O-N 3.09Å; I365-T367 HydrophobicContact CG2-CG2 4.31Å; I365-T367 PolarHBondContact O-N 3.34Å |
| 366 | T | 50 | Low | 45.5 | Very low | 129 Ų | 129 | 140.5 Ų | 140.5 | 79% | 0.791 | 82% | 0.821 | S | S | * | * | | | trans | -77.4 | 99.5 | 167.9 | -32.1 | 0 | 0 | 0 | 0 | 106.5 | V364 A368 | V364-T366 PolarHBondContact O-N 2.86Å; T366-A368 PolarHBondContact O-N 3.45Å |
| 367 | T | 50.2 | Low | 45.7 | Very low | 124 Ų | 124 | 139.2 Ų | 139.2 | 76% | 0.761 | 82% | 0.823 | S | S | * | * | | | trans | -69.5 | 118.9 | 168 | 47.3 | 0 | 0 | 0 | 0 | 107.8 | I365 | I365-T367 HydrophobicContact CG2-CG2 4.31Å; I365-T367 PolarHBondContact O-N 3.34Å |
| 368 | A | 52.3 | Low | 45.6 | Very low | 170 Ų | 170 | 141.1 Ų | 141.1 | 100% | 1.405 | 83% | 0.832 | S | S | * | * | | | trans | -66.4 | 0 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | T366 | T366-A368 PolarHBondContact O-N 3.45Š|