| 1 | M | 45.6 | Very low | 45.3 | Very low | 240 Ų | 240 | 166.5 Ų | 166.5 | 100% | 1.182 | 88% | 0.877 | S | S | * | * | | | | 0 | 82.8 | 0 | -66.1 | 173.4 | -172.3 | 0 | 0 | 106.9 | | |
| 2 | K | 39.3 | Very low | 45.2 | Very low | 195 Ų | 195 | 166.4 Ų | 166.4 | 85% | 0.848 | 87% | 0.868 | S | S | * | * | | | | 55.5 | 118 | 50.6 | -70.9 | -166.8 | 179.2 | -177 | 0 | 113.6 | | |
| 3 | Q | 43.3 | Very low | 45.5 | Very low | 182 Ų | 182 | 166.8 Ų | 166.8 | 85% | 0.85 | 86% | 0.859 | S | S | * | * | | | trans | 78.7 | 123.3 | 166.1 | -64.9 | 164.6 | -21.2 | 0 | 0 | 114.9 | | |
| 4 | L | 53.3 | Low | 45.4 | Very low | 178 Ų | 178 | 166.9 Ų | 166.9 | 93% | 0.932 | 85% | 0.854 | S | S | * | * | | | | -147.4 | 125.8 | 63.3 | -78.5 | 153.6 | 0 | 0 | 0 | 112.8 | | |
| 5 | L | 40.1 | Very low | 45.3 | Very low | 170 Ų | 170 | 160.9 Ų | 160.9 | 89% | 0.89 | 85% | 0.849 | S | S | * | * | | | trans | -132.9 | 150.5 | 170.8 | -164.6 | 139.4 | 0 | 0 | 0 | 105.9 | | |
| 6 | A | 47.1 | Very low | 45.5 | Very low | 81 Ų | 81 | 160.5 Ų | 160.5 | 67% | 0.669 | 85% | 0.847 | S | S | * | * | | | trans | 81 | 143.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 7 | E | 46.6 | Very low | 45.6 | Very low | 188 Ų | 188 | 159.5 Ų | 159.5 | 88% | 0.879 | 84% | 0.836 | S | S | * | * | | | cis | -179.7 | 140 | 42.1 | -157.6 | 162.6 | 167.6 | 0 | 0 | 108.2 | | |
| 8 | A | 50.2 | Low | 45.9 | Very low | 102 Ų | 102 | 159.3 Ų | 159.3 | 84% | 0.843 | 83% | 0.83 | S | S | * | * | | | trans | 176.9 | 78.8 | 150.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 9 | R | 41.6 | Very low | 45.8 | Very low | 246 Ų | 246 | 163 Ų | 163 | 93% | 0.928 | 83% | 0.832 | S | S | * | * | | | trans | -125.5 | 142.8 | 152.3 | -81.3 | -173.1 | 176 | -172.1 | -0.2 | 107.1 | | |
| 10 | S | 42.5 | Very low | 45.8 | Very low | 108 Ų | 108 | 158.7 Ų | 158.7 | 76% | 0.755 | 83% | 0.829 | S | S | * | * | | | trans | 101.1 | 111.5 | 162.1 | -169.8 | 0 | 0 | 0 | 0 | 118.3 | | |
| 11 | T | 48.5 | Very low | 45.7 | Very low | 141 Ų | 141 | 155.7 Ų | 155.7 | 87% | 0.865 | 82% | 0.822 | S | S | * | * | | | trans | -163.8 | 101 | 141.2 | 27 | 0 | 0 | 0 | 0 | 106.3 | | |
| 12 | Q | 44.3 | Very low | 45.9 | Very low | 166 Ų | 166 | 151.4 Ų | 151.4 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | | | | 68.7 | 141.6 | 73.7 | -106.9 | -139.9 | -14.8 | 0 | 0 | 117.6 | | |
| 13 | K | 48.8 | Very low | 46.3 | Very low | 172 Ų | 172 | 150.7 Ų | 150.7 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | | | trans | 86.2 | 148.1 | 162.8 | -76.7 | -170.4 | 163.9 | -175.2 | 0 | 119.4 | | |
| 14 | E | 44.4 | Very low | 46.4 | Very low | 168 Ų | 168 | 149.5 Ų | 149.5 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | | | cis | 176.3 | 155.5 | -25.9 | -116.8 | -177.8 | 163.5 | 0 | 0 | 104.2 | | |
| 15 | G | 44.4 | Very low | 46.5 | Very low | 76 Ų | 76 | 145.8 Ų | 145.8 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | | | trans | 130.4 | 93.2 | 167 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 16 | L | 48.7 | Very low | 46.9 | Very low | 155 Ų | 155 | 143.9 Ų | 143.9 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | | | | 102.9 | 102.1 | 56.4 | -162.2 | 81.9 | 0 | 0 | 0 | 111.9 | | |
| 17 | E | 45.8 | Very low | 47 | Very low | 144 Ų | 144 | 143.1 Ų | 143.1 | 67% | 0.673 | 78% | 0.778 | S | S | * | * | | | trans | 81.1 | 143.9 | 134.3 | -69.5 | -165.3 | 163.1 | 0 | 0 | 127.7 | | |
| 18 | H | 51.1 | Low | 47 | Very low | 156 Ų | 156 | 141.6 Ų | 141.6 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | | | trans | 95.7 | 141.3 | 146.2 | -74.3 | -12.8 | 0 | 0 | 0 | 119.1 | | |
| 19 | R | 45 | Very low | 46.7 | Very low | 229 Ų | 229 | 141.6 Ų | 141.6 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | | | cis | 179.9 | 135.3 | -18.2 | -168.7 | 180 | -174 | -153.4 | 3 | 106.7 | | |
| 20 | G | 44.6 | Very low | 46.9 | Very low | 76 Ų | 76 | 137.3 Ų | 137.3 | 78% | 0.784 | 76% | 0.764 | S | S | * | * | | | trans | 73.7 | 156 | 154.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 21 | S | 45.1 | Very low | 47.1 | Very low | 97 Ų | 97 | 140.5 Ų | 140.5 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | | | cis | 175.2 | 125.7 | 2.3 | 164.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 22 | I | 48.9 | Very low | 46.9 | Very low | 150 Ų | 150 | 138.4 Ų | 138.4 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | | | trans | 60.7 | 121.6 | 140.3 | -44.3 | 163.1 | 0 | 0 | 0 | 120.2 | | |
| 23 | H | 48.8 | Very low | 46.6 | Very low | 179 Ų | 179 | 134.7 Ų | 134.7 | 83% | 0.829 | 75% | 0.754 | S | S | * | * | | | | 173.6 | 128.3 | 112.5 | -141.1 | -96.1 | 0 | 0 | 0 | 112.7 | | |
| 24 | E | 45.3 | Very low | 46.2 | Very low | 158 Ų | 158 | 131.2 Ų | 131.2 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | | | trans | -113.2 | -176.8 | 161.5 | -98.4 | -81.1 | 144.3 | 0 | 0 | 106.4 | | |
| 25 | P | 54.3 | Low | 46.2 | Very low | 100 Ų | 100 | 132.2 Ų | 132.2 | 65% | 0.649 | 76% | 0.756 | S | S | * | * | | | cis | -141.5 | -172.1 | 2.8 | 27 | -0.1 | 0 | 0 | 0 | 116.1 | | |
| 26 | T | 48.7 | Very low | 45.7 | Very low | 130 Ų | 130 | 134.7 Ų | 134.7 | 80% | 0.798 | 76% | 0.756 | S | S | * | * | | | trans | 105.7 | 125.9 | 138.7 | -35 | 0 | 0 | 0 | 0 | 118.6 | | |
| 27 | G | 50 | Low | 45.6 | Very low | 64 Ų | 64 | 135.4 Ų | 135.4 | 66% | 0.66 | 76% | 0.755 | S | S | * | * | | | trans | 147.1 | 78.4 | 148.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 28 | D | 45.4 | Very low | 45.3 | Very low | 157 Ų | 157 | 133.1 Ų | 133.1 | 84% | 0.84 | 75% | 0.753 | S | S | * | * | | | trans | 46.1 | 126.3 | 138.8 | -54.4 | -27.5 | 0 | 0 | 0 | 122.2 | | |
| 29 | S | 44.9 | Very low | 44.5 | Very low | 101 Ų | 101 | 133.8 Ų | 133.8 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | | | | 160 | 121.1 | 92 | -150.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 30 | L | 46.4 | Very low | 44.4 | Very low | 156 Ų | 156 | 127.2 Ų | 127.2 | 82% | 0.817 | 76% | 0.755 | S | S | * | * | | | trans | 73.5 | 90 | 144 | -61.4 | 165.3 | 0 | 0 | 0 | 122.9 | | |
| 31 | Q | 45.5 | Very low | 44 | Very low | 175 Ų | 175 | 135.5 Ų | 135.5 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | | | | 32.4 | 163.6 | 112.5 | -74.8 | -114.5 | -27.5 | 0 | 0 | 122.6 | | |
| 32 | P | 44.4 | Very low | 43.6 | Very low | 97 Ų | 97 | 135.7 Ų | 135.7 | 63% | 0.63 | 77% | 0.765 | S | S | * | * | | | cis | -147 | 175.6 | -39 | 41.7 | -23.4 | 0 | 0 | 0 | 116.4 | | |
| 33 | A | 39 | Very low | 43.4 | Very low | 88 Ų | 88 | 135.7 Ų | 135.7 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | | | trans | 79.4 | 129.2 | 140.9 | 0 | 0 | 0 | 0 | 0 | 123.3 | | |
| 34 | S | 38.9 | Very low | 42.8 | Very low | 100 Ų | 100 | 137.9 Ų | 137.9 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | | | trans | 85.8 | 105.4 | 151.9 | 81.6 | 0 | 0 | 0 | 0 | 117.5 | | |
| 35 | Q | 44.4 | Very low | 42.6 | Very low | 188 Ų | 188 | 137 Ų | 137 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | | | | 175 | 128.2 | 99.3 | -88.5 | 171.2 | 44.9 | 0 | 0 | 111.1 | | |
| 36 | T | 35.3 | Very low | 41.8 | Very low | 128 Ų | 128 | 142 Ų | 142 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | | | trans | -68 | 131.1 | 174.8 | -47.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 37 | E | 44.9 | Very low | 41.2 | Very low | 170 Ų | 170 | 146.8 Ų | 146.8 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | | | trans | -160.6 | 127.5 | 150.8 | -93.4 | -50.5 | 123.6 | 0 | 0 | 109.6 | | |
| 38 | P | 40.1 | Very low | 40.3 | Very low | 96 Ų | 96 | 149.8 Ų | 149.8 | 62% | 0.623 | 79% | 0.787 | S | S | * | * | | | trans | -98.3 | 138 | 175.4 | 34.9 | -25.8 | 0 | 0 | 0 | 109.9 | | |
| 39 | L | 34.7 | Very low | 39.9 | Very low | 171 Ų | 171 | 149.5 Ų | 149.5 | 90% | 0.895 | 78% | 0.784 | S | S | * | * | | | trans | -175.2 | 140.5 | 153.5 | -101.9 | 151.5 | 0 | 0 | 0 | 114.5 | | |
| 40 | A | 42.1 | Very low | 39.6 | Very low | 90 Ų | 90 | 150.5 Ų | 150.5 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | | | trans | 77.2 | 83.6 | 156 | 0 | 0 | 0 | 0 | 0 | 118.8 | S42 | A40-S42 PolarHBondContact O-N 3.28Å; A40-S42 VanDerWaalsContact O-N 3.09Å |
| 41 | R | 37.7 | Very low | 39.5 | Very low | 250 Ų | 250 | 148.8 Ų | 148.8 | 94% | 0.943 | 78% | 0.781 | S | S | * | * | | | trans | -54.4 | 109.6 | 155.4 | -76.2 | 175.6 | 178.7 | 152.4 | 0 | 110.2 | L43 | R41-L43 PolarHBondContact O-N 3.25Š|
| 42 | S | 36.8 | Very low | 39.5 | Very low | 102 Ų | 102 | 146.2 Ų | 146.2 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | | | trans | -65.4 | 95 | 170.6 | -176.6 | 0 | 0 | 0 | 0 | 110.7 | A40 R44 | A40-S42 PolarHBondContact O-N 3.28Å; A40-S42 VanDerWaalsContact O-N 3.09Å; S42-R44 PolarHBondContact O-N 3.25Å; S42-R44 VanDerWaalsContact O-N 3.14Å |
| 43 | L | 44.4 | Very low | 38.9 | Very low | 149 Ų | 149 | 145.5 Ų | 145.5 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | | | trans | -75.6 | 94 | 166.4 | -74.5 | 170.4 | 0 | 0 | 0 | 108.7 | R41 N45 | R41-L43 PolarHBondContact O-N 3.25Å; L43-N45 PolarHBondContact O-N 3.34Å |
| 44 | R | 36.8 | Very low | 38.6 | Very low | 225 Ų | 225 | 146.6 Ų | 146.6 | 85% | 0.849 | 78% | 0.78 | S | S | * | * | | | trans | -65.2 | 97.9 | 170.2 | -69.5 | -176.5 | -149.6 | -132.7 | 2.1 | 109.5 | S42 K46 | S42-R44 PolarHBondContact O-N 3.25Å; S42-R44 VanDerWaalsContact O-N 3.14Å; R44-K46 PolarHBondContact O-N 3.22Å |
| 45 | N | 39.9 | Very low | 38.2 | Very low | 141 Ų | 141 | 151.7 Ų | 151.7 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | | | trans | -65.3 | 100.8 | 172.6 | -70 | -30.6 | 0 | 0 | 0 | 110.5 | L43 R47 | L43-N45 PolarHBondContact O-N 3.34Å; N45-R47 PolarHBondContact O-N 2.99Å |
| 46 | K | 37.6 | Very low | 37.8 | Very low | 204 Ų | 204 | 148.3 Ų | 148.3 | 89% | 0.887 | 78% | 0.779 | S | S | * | * | | | trans | -66.8 | 112.2 | 164.4 | -67.4 | 176.2 | 179.8 | 176.2 | 0 | 108 | R44 | R44-K46 PolarHBondContact O-N 3.22Š|
| 47 | R | 36.6 | Very low | 37.6 | Very low | 230 Ų | 230 | 151.6 Ų | 151.6 | 87% | 0.868 | 78% | 0.777 | S | S | * | * | | | trans | -91.4 | 117.3 | 173.5 | -69.2 | -175.7 | 176.6 | -133.4 | 0 | 109.3 | N45 | N45-R47 PolarHBondContact O-N 2.99Š|
| 48 | V | 31.4 | Very low | 37.1 | Very low | 127 Ų | 127 | 152.1 Ų | 152.1 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | | | trans | -88 | 120.4 | 170 | 173.4 | 0 | 0 | 0 | 0 | 107.6 | V50 | V48-V50 HydrophobicContact CG1-CG2 3.97Š|
| 49 | I | 36 | Very low | 36.8 | Very low | 152 Ų | 152 | 154.3 Ų | 154.3 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | | | trans | -94.9 | 112.1 | 175.6 | -60.2 | 173.3 | 0 | 0 | 0 | 106.9 | | |
| 50 | V | 38.2 | Very low | 36.6 | Very low | 122 Ų | 122 | 154 Ų | 154 | 74% | 0.739 | 79% | 0.79 | S | S | * | * | | | trans | -102.5 | 116.8 | 171.6 | -177.7 | 0 | 0 | 0 | 0 | 108 | V48 P52 | V48-V50 HydrophobicContact CG1-CG2 3.97Å; V50-P52 VanDerWaalsContact O-CD 3.24Å; V50-P52 WeakPolarHBondContact O-CD 3.27Å |
| 51 | T | 44.6 | Very low | 36.1 | Very low | 119 Ų | 119 | 157.4 Ų | 157.4 | 73% | 0.73 | 79% | 0.788 | S | S | * | * | | | trans | -86.2 | 109.9 | 175.3 | -45.4 | 0 | 0 | 0 | 0 | 108.7 | A53 | T51-A53 PolarHBondContact O-N 3.28Š|
| 52 | P | 46.4 | Very low | 35.8 | Very low | 121 Ų | 121 | 153.6 Ų | 153.6 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | | | trans | -71.7 | 104 | 168.5 | 27.9 | -30.6 | 0 | 0 | 0 | 108.5 | V50 | V50-P52 VanDerWaalsContact O-CD 3.24Å; V50-P52 WeakPolarHBondContact O-CD 3.27Å |
| 53 | A | 31.5 | Very low | 35.6 | Very low | 83 Ų | 83 | 157.8 Ų | 157.8 | 69% | 0.686 | 79% | 0.794 | S | S | * | * | | | trans | -65.5 | 156.9 | 159.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | T51 | T51-A53 PolarHBondContact O-N 3.28Š|
| 54 | V | 33.5 | Very low | 34.9 | Very low | 111 Ų | 111 | 158.9 Ų | 158.9 | 67% | 0.673 | 79% | 0.793 | S | S | * | * | | | trans | 91.5 | 104.5 | 171.6 | -164.5 | 0 | 0 | 0 | 0 | 115.1 | | |
| 55 | Y | 29.6 | Very low | 34.4 | Very low | 206 Ų | 206 | 154.2 Ų | 154.2 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | | | | -177.6 | 96.9 | 115 | -98.6 | -72.5 | 0 | 0 | 0 | 111 | | |
| 56 | P | 35 | Very low | 33.9 | Very low | 117 Ų | 117 | 154.4 Ų | 154.4 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | | | trans | -100.3 | 74.8 | 166.5 | 35.3 | -25.4 | 0 | 0 | 0 | 109.7 | | |
| 57 | R | 32.3 | Very low | 33.6 | Very low | 197 Ų | 197 | 152.4 Ų | 152.4 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | | | trans | -143.7 | 13.3 | 176 | -71.9 | -158.3 | 173.2 | -160.4 | -2.1 | 117.4 | V59 | R57-V59 VanDerWaalsContact C-N 3.29Å; R57-V59 PolarHBondContact O-N 3.02Å |
| 58 | L | 33.6 | Very low | 33.3 | Very low | 182 Ų | 182 | 146 Ų | 146 | 95% | 0.953 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | 33.6 | 179.5 | -65.7 | 174.9 | 0 | 0 | 0 | 114.4 | | |
| 59 | V | 33.4 | Very low | 33.4 | Very low | 141 Ų | 141 | 146.4 Ų | 146.4 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.1 | -7.8 | -179.8 | 163.3 | 0 | 0 | 0 | 0 | 113.8 | R57 | R57-V59 VanDerWaalsContact C-N 3.29Å; R57-V59 PolarHBondContact O-N 3.02Å |
| 60 | E | 31.5 | Very low | 33 | Very low | 165 Ų | 165 | 143 Ų | 143 | 77% | 0.771 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -117.7 | 1.7 | -168 | -82.6 | 176.8 | 156.8 | 0 | 0 | 117.4 | | |
| 61 | F | 30.5 | Very low | 32.7 | Very low | 162 Ų | 162 | 146.2 Ų | 146.2 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | | | trans | -117.1 | 15 | -172 | -69.6 | -75.9 | 0 | 0 | 0 | 116.8 | | |
| 62 | L | 32.8 | Very low | 32.3 | Very low | 170 Ų | 170 | 150.7 Ų | 150.7 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | | | trans | -107.4 | 43.4 | 177 | -114.8 | 81.9 | 0 | 0 | 0 | 113.6 | | |
| 63 | H | 32.3 | Very low | 31.9 | Very low | 189 Ų | 189 | 149.9 Ų | 149.9 | 88% | 0.875 | 79% | 0.787 | S | S | * | * | | | trans | -101.7 | 60.9 | 159.6 | -162.3 | -101.4 | 0 | 0 | 0 | 108.8 | | |
| 64 | F | 28.9 | Very low | 31.8 | Very low | 173 Ų | 173 | 153.8 Ų | 153.8 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | | | trans | -90.5 | 121.5 | 164.8 | -82.8 | -80.9 | 0 | 0 | 0 | 108.2 | I66 | F64-I66 VanDerWaalsContact C-N 3.31Å; F64-I66 PolarHBondContact O-N 3.37Å |
| 65 | D | 26.7 | Very low | 31.8 | Very low | 127 Ų | 127 | 154 Ų | 154 | 68% | 0.679 | 80% | 0.796 | S | S | * | * | | | trans | -60 | 84.9 | 177.4 | -172 | 23.6 | 0 | 0 | 0 | 110.1 | Q67 | D65-Q67 PolarHBondContact O-N 3.48Š|
| 66 | I | 29.8 | Very low | 31.8 | Very low | 145 Ų | 145 | 149 Ų | 149 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | | | trans | -78.5 | 87.1 | 165.3 | -53.3 | 175.6 | 0 | 0 | 0 | 105.1 | F64 S68 | F64-I66 VanDerWaalsContact C-N 3.31Å; F64-I66 PolarHBondContact O-N 3.37Å; I66-S68 PolarHBondContact O-N 3.29Å |
| 67 | Q | 31.3 | Very low | 31.5 | Very low | 161 Ų | 161 | 149.6 Ų | 149.6 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | | | trans | -62.3 | 74.1 | 159.3 | -69.6 | -171.3 | -12.6 | 0 | 0 | 108.3 | D65 T69 | D65-Q67 PolarHBondContact O-N 3.48Å; Q67-T69 PolarHBondContact O-N 2.8Å; Q67-T69 VanDerWaalsContact O-N 3.14Å |
| 68 | S | 29.9 | Very low | 31.5 | Very low | 95 Ų | 95 | 144.6 Ų | 144.6 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | | | trans | -68.6 | 111.6 | 168.1 | 69.1 | 0 | 0 | 0 | 0 | 106.6 | I66 G70 | I66-S68 PolarHBondContact O-N 3.29Å; S68-G70 PolarHBondContact O-N 3.21Å; S68-G70 VanDerWaalsContact O-N 3.12Å |
| 69 | T | 34.7 | Very low | 31.4 | Very low | 137 Ų | 137 | 141.6 Ų | 141.6 | 84% | 0.84 | 76% | 0.76 | S | S | * | * | | | trans | -53.6 | 117.1 | 167 | 44.6 | 0 | 0 | 0 | 0 | 107.5 | Q67 Q71 | Q67-T69 PolarHBondContact O-N 2.8Å; Q67-T69 VanDerWaalsContact O-N 3.14Å; T69-Q71 PolarHBondContact O-N 3.43Å |
| 70 | G | 27.5 | Very low | 31.4 | Very low | 81 Ų | 81 | 143.7 Ų | 143.7 | 84% | 0.835 | 76% | 0.76 | S | S | * | * | | | trans | -64.6 | 94 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S68 | S68-G70 PolarHBondContact O-N 3.21Å; S68-G70 VanDerWaalsContact O-N 3.12Å |
| 71 | Q | 30.5 | Very low | 31.4 | Very low | 189 Ų | 189 | 146.3 Ų | 146.3 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | | | trans | -104 | 101.9 | 154.8 | -113.6 | -172.8 | 2 | 0 | 0 | 108.4 | T69 S73 | T69-Q71 PolarHBondContact O-N 3.43Å; Q71-S73 PolarHBondContact O-N 3.44Å; Q71-S73 VanDerWaalsContact O-N 3.16Å |
| 72 | K | 36.5 | Very low | 31.5 | Very low | 212 Ų | 212 | 144.5 Ų | 144.5 | 92% | 0.922 | 77% | 0.767 | S | S | * | * | | | trans | -63.2 | 108.1 | 170.4 | -94.5 | 171.2 | 162 | 175 | 0 | 108.9 | | |
| 73 | S | 38.7 | Very low | 31.6 | Very low | 104 Ų | 104 | 140.7 Ų | 140.7 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | trans | -79.9 | 132.2 | 159.4 | 56.4 | 0 | 0 | 0 | 0 | 109 | Q71 C75 | Q71-S73 PolarHBondContact O-N 3.44Å; Q71-S73 VanDerWaalsContact O-N 3.16Å; S73-C75 PolarHBondContact O-N 3.19Å |
| 74 | H | 28.7 | Very low | 31.6 | Very low | 166 Ų | 166 | 138.9 Ų | 138.9 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | | | trans | -73.1 | 105.5 | -178.7 | -173.3 | -59.5 | 0 | 0 | 0 | 109.6 | V76 | H74-V76 WeakPolarHBondContact ND1-CG2 3.32Å; H74-V76 PolarHBondContact O-N 3.09Å |
| 75 | C | 34.4 | Very low | 31.5 | Very low | 115 Ų | 115 | 135.9 Ų | 135.9 | 78% | 0.777 | 75% | 0.746 | S | S | * | * | | | trans | -70.4 | 99.4 | 168.9 | -57 | 0 | 0 | 0 | 0 | 108.8 | S73 N77 | S73-C75 PolarHBondContact O-N 3.19Å; C75-N77 PolarHBondContact O-N 3.09Å |
| 76 | V | 29.9 | Very low | 31.7 | Very low | 101 Ų | 101 | 137 Ų | 137 | 61% | 0.612 | 75% | 0.746 | S | S | * | * | | | trans | -75.4 | 106.5 | 162.4 | 178.4 | 0 | 0 | 0 | 0 | 106.9 | H74 T78 | H74-V76 WeakPolarHBondContact ND1-CG2 3.32Å; H74-V76 PolarHBondContact O-N 3.09Å; V76-T78 HydrophobicContact CG1-CG2 4.23Å; V76-T78 PolarHBondContact O-N 3.39Å |
| 77 | N | 28.7 | Very low | 31.6 | Very low | 130 Ų | 130 | 135.4 Ų | 135.4 | 70% | 0.695 | 74% | 0.742 | S | S | * | * | | | trans | -72.3 | 89.7 | 172.4 | -168.4 | 24.9 | 0 | 0 | 0 | 108.5 | C75 | C75-N77 PolarHBondContact O-N 3.09Š|
| 78 | T | 32.2 | Very low | 31.5 | Very low | 91 Ų | 91 | 133.6 Ų | 133.6 | 56% | 0.558 | 74% | 0.737 | S | S | * | * | | | trans | -91.5 | 102.4 | 161.1 | 41.7 | 0 | 0 | 0 | 0 | 107.9 | V76 H80 | V76-T78 HydrophobicContact CG1-CG2 4.23Å; V76-T78 PolarHBondContact O-N 3.39Å; T78-H80 PolarHBondContact O-N 3.2Å |
| 79 | D | 31.3 | Very low | 31.5 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 64% | 0.642 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.6 | 132.4 | 168.8 | -62.2 | -54.1 | 0 | 0 | 0 | 109.8 | | |
| 80 | H | 31.9 | Very low | 31.3 | Very low | 185 Ų | 185 | 135 Ų | 135 | 86% | 0.856 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.3 | 46.5 | 171.6 | -48.9 | -47 | 0 | 0 | 0 | 118.4 | T78 | T78-H80 PolarHBondContact O-N 3.2Š|
| 81 | R | 32.8 | Very low | 31.3 | Very low | 219 Ų | 219 | 137.8 Ų | 137.8 | 83% | 0.826 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -168.9 | 145.5 | 149.5 | -115 | 176.9 | 153.5 | -157.9 | -7.2 | 111.1 | S83 | R81-S83 PolarHBondContact O-N 3.33Š|
| 82 | P | 33.2 | Very low | 31.2 | Very low | 124 Ų | 124 | 133.5 Ų | 133.5 | 81% | 0.805 | 71% | 0.711 | S | S | * | * | | | trans | -60.5 | 114.1 | 172.4 | 24.4 | -30.3 | 0 | 0 | 0 | 108.5 | | |
| 83 | S | 33.1 | Very low | 31 | Very low | 91 Ų | 91 | 130.9 Ų | 130.9 | 64% | 0.636 | 71% | 0.707 | S | S | * | * | | | trans | -62.1 | 132.4 | 176.6 | 44.2 | 0 | 0 | 0 | 0 | 109.5 | R81 C85 | R81-S83 PolarHBondContact O-N 3.33Å; S83-C85 PolarHBondContact O-N 3.15Å |
| 84 | Q | 33.8 | Very low | 30.6 | Very low | 150 Ų | 150 | 128.1 Ų | 128.1 | 70% | 0.701 | 69% | 0.688 | S | S | * | * | | | trans | -68.1 | 116.3 | 170.3 | -71.6 | 172.8 | -14 | 0 | 0 | 107.9 | F86 | Q84-F86 HydrophobicContact CB-CE2 4.16Å; Q84-F86 HydrophobicContact CB-CZ 4.25Å |
| 85 | C | 27.1 | Very low | 30.7 | Very low | 110 Ų | 110 | 126.2 Ų | 126.2 | 74% | 0.743 | 69% | 0.693 | S | S | * | * | | | trans | -86.8 | 112.6 | 168.7 | -63 | 0 | 0 | 0 | 0 | 108.3 | S83 | S83-C85 PolarHBondContact O-N 3.15Š|
| 86 | F | 29.6 | Very low | 30.5 | Very low | 152 Ų | 152 | 124 Ų | 124 | 67% | 0.667 | 68% | 0.679 | S | S | * | * | | | trans | -82.6 | 127.3 | 166.1 | -59 | -82.2 | 0 | 0 | 0 | 108.2 | Q84 | Q84-F86 HydrophobicContact CB-CE2 4.16Å; Q84-F86 HydrophobicContact CB-CZ 4.25Å |
| 87 | V | 28.3 | Very low | 30.4 | Very low | 111 Ų | 111 | 125.4 Ų | 125.4 | 67% | 0.673 | 69% | 0.69 | S | S | * | * | | | trans | -113.4 | 117.9 | 174.8 | -178 | 0 | 0 | 0 | 0 | 107.6 | I89 | V87-I89 HydrophobicContact CG1-CG1 4.4Å; V87-I89 PolarHBondContact O-N 3.32Å |
| 88 | L | 29.1 | Very low | 30.4 | Very low | 122 Ų | 122 | 123.1 Ų | 123.1 | 64% | 0.639 | 68% | 0.683 | S | S | * | * | | | trans | -81.8 | 111.3 | 172.1 | -175.2 | 66.5 | 0 | 0 | 0 | 108.2 | I90 | L88-I90 HydrophobicContact CD2-CD1 4.1Å; L88-I90 HydrophobicContact CD2-CG1 4.14Å; L88-I90 HydrophobicContact CG-CG1 4.04Å |
| 89 | I | 30.4 | Very low | 30.2 | Very low | 133 Ų | 133 | 126.5 Ų | 126.5 | 68% | 0.682 | 69% | 0.692 | S | S | * | * | | | trans | -93.2 | 110.7 | 172 | -57.9 | 173 | 0 | 0 | 0 | 106.7 | V87 | V87-I89 HydrophobicContact CG1-CG1 4.4Å; V87-I89 PolarHBondContact O-N 3.32Å |
| 90 | I | 30.3 | Very low | 30.2 | Very low | 128 Ų | 128 | 129.8 Ų | 129.8 | 66% | 0.656 | 70% | 0.695 | S | S | * | * | | | trans | -95.8 | 108.8 | 170.7 | -57.1 | 178.7 | 0 | 0 | 0 | 107.2 | L88 S92 | L88-I90 HydrophobicContact CD2-CD1 4.1Å; L88-I90 HydrophobicContact CD2-CG1 4.14Å; L88-I90 HydrophobicContact CG-CG1 4.04Å; I90-S92 PolarHBondContact O-N 3.32Å |
| 91 | Q | 28 | Very low | 30.2 | Very low | 141 Ų | 141 | 128.1 Ų | 128.1 | 66% | 0.659 | 69% | 0.692 | S | S | * | * | | | trans | -77.9 | 107.6 | 172.5 | -161.6 | 175.2 | -16.2 | 0 | 0 | 107.6 | D93 | Q91-D93 VanDerWaalsContact C-N 3.31Å; Q91-D93 PolarHBondContact O-N 3.12Å |
| 92 | S | 27.9 | Very low | 30.1 | Very low | 98 Ų | 98 | 123.9 Ų | 123.9 | 69% | 0.685 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -5.6 | -168.5 | -58.7 | 0 | 0 | 0 | 0 | 114.7 | I90 | I90-S92 PolarHBondContact O-N 3.32Š|
| 93 | D | 31.4 | Very low | 29.9 | Very low | 158 Ų | 158 | 124.9 Ų | 124.9 | 85% | 0.845 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.2 | 25.6 | -172 | -55.1 | -51.7 | 0 | 0 | 0 | 114.4 | Q91 | Q91-D93 VanDerWaalsContact C-N 3.31Å; Q91-D93 PolarHBondContact O-N 3.12Å |
| 94 | S | 30.4 | Very low | 30 | Very low | 45 Ų | 45 | 126 Ų | 126 | 32% | 0.315 | 69% | 0.693 | S | S | . | * | | | trans | -111.2 | 126.5 | 170.4 | 162.3 | 0 | 0 | 0 | 0 | 108.9 | C96 | S94-C96 PolarHBondContact O-N 3.35Å; S94-C96 PolarHBondContact OG-N 3.09Å; S94-C96 PolarHBondContact OG-O 3.49Å; S94-C96 VanDerWaalsContact OG-O 3.09Å |
| 95 | S | 31.7 | Very low | 29.9 | Very low | 127 Ų | 127 | 121.8 Ų | 121.8 | 89% | 0.888 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -65.4 | 15.3 | 174.1 | 68.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 96 | C | 28.6 | Very low | 30.1 | Very low | 69 Ų | 69 | 128.5 Ų | 128.5 | 47% | 0.466 | 70% | 0.699 | S | S | . | * | S | Bend | trans | -137.4 | 117.6 | -174.9 | -51.2 | 0 | 0 | 0 | 0 | 109.1 | S94 C98 | S94-C96 PolarHBondContact O-N 3.35Å; S94-C96 PolarHBondContact OG-N 3.09Å; S94-C96 PolarHBondContact OG-O 3.49Å; S94-C96 VanDerWaalsContact OG-O 3.09Å; C96-C98 PolarHBondContact O-N 2.84Å; C96-C98 VanDerWaalsContact O-N 3.09Å |
| 97 | P | 27.9 | Very low | 30.2 | Very low | 130 Ų | 130 | 127.5 Ų | 127.5 | 84% | 0.844 | 71% | 0.712 | S | S | * | * | | | trans | -78 | 91.1 | 174.1 | 29.7 | -29.9 | 0 | 0 | 0 | 109.9 | | |
| 98 | C | 28.8 | Very low | 30.3 | Very low | 82 Ų | 82 | 125.3 Ų | 125.3 | 55% | 0.554 | 71% | 0.711 | S | S | * | * | | | trans | -93.8 | 94.4 | 173.8 | -58.1 | 0 | 0 | 0 | 0 | 109.9 | C96 R100 | C96-C98 PolarHBondContact O-N 2.84Å; C96-C98 VanDerWaalsContact O-N 3.09Å; C98-R100 PolarHBondContact O-N 2.85Å; C98-R100 VanDerWaalsContact O-N 3.12Å |
| 99 | H | 29.8 | Very low | 30.3 | Very low | 162 Ų | 162 | 126.2 Ų | 126.2 | 75% | 0.75 | 72% | 0.716 | S | S | * | * | | | trans | -66 | 105.7 | 167 | -104.2 | -117 | 0 | 0 | 0 | 109.6 | | |
| 100 | R | 31.2 | Very low | 30.5 | Very low | 189 Ų | 189 | 125.2 Ų | 125.2 | 71% | 0.713 | 72% | 0.721 | S | S | * | * | | | trans | -105.3 | 109.4 | 164.2 | -79 | -168.2 | -162.9 | 166.1 | 6.4 | 110.2 | C98 F102 | C98-R100 PolarHBondContact O-N 2.85Å; C98-R100 VanDerWaalsContact O-N 3.12Å; R100-F102 HydrophobicContact CB-CD2 4.06Å; R100-F102 HydrophobicContact CB-CE2 3.64Å; R100-F102 HydrophobicContact CB-CZ 4.41Å; R100-F102 HydrophobicContact CG-CE2 4.28Å |
| 101 | L | 30.3 | Very low | 30.5 | Very low | 150 Ų | 150 | 131.1 Ų | 131.1 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | | | trans | -76.2 | 116.5 | 165.2 | -76.8 | 157.9 | 0 | 0 | 0 | 108.8 | | |
| 102 | F | 31.5 | Very low | 30.6 | Very low | 130 Ų | 130 | 129 Ų | 129 | 57% | 0.57 | 74% | 0.742 | S | S | * | * | | | trans | -107 | 118.5 | 169.6 | -77.1 | -80 | 0 | 0 | 0 | 110.1 | R100 A104 | R100-F102 HydrophobicContact CB-CD2 4.06Å; R100-F102 HydrophobicContact CB-CE2 3.64Å; R100-F102 HydrophobicContact CB-CZ 4.41Å; R100-F102 HydrophobicContact CG-CE2 4.28Å; F102-A104 PolarHBondContact O-N 3.34Å |
| 103 | N | 29.7 | Very low | 30.8 | Very low | 145 Ų | 145 | 127.9 Ų | 127.9 | 78% | 0.775 | 75% | 0.746 | S | S | * | * | | | trans | -78.3 | 104.3 | 167.1 | -84.7 | -41.4 | 0 | 0 | 0 | 109.2 | G105 | N103-G105 PolarHBondContact O-N 3.36Š|
| 104 | A | 34 | Very low | 30.8 | Very low | 114 Ų | 114 | 129.9 Ų | 129.9 | 94% | 0.942 | 75% | 0.75 | S | S | * | * | | | trans | -79.5 | 74.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | F102 | F102-A104 PolarHBondContact O-N 3.34Š|
| 105 | G | 31.4 | Very low | 30.7 | Very low | 61 Ų | 61 | 131.3 Ų | 131.3 | 63% | 0.629 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -152 | 107.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | N103 | N103-G105 PolarHBondContact O-N 3.36Š|
| 106 | R | 32.4 | Very low | 30.7 | Very low | 251 Ų | 251 | 133.1 Ų | 133.1 | 95% | 0.947 | 76% | 0.758 | S | S | * | * | | | trans | 53.5 | 88.7 | 172 | -80.6 | -178.4 | 155.9 | -150.5 | -4.5 | 116.2 | G108 | R106-G108 PolarHBondContact O-N 2.91Š|
| 107 | S | 31 | Very low | 30.7 | Very low | 132 Ų | 132 | 136.5 Ų | 136.5 | 92% | 0.923 | 78% | 0.777 | S | S | * | * | | | trans | -77.1 | 78.2 | 151.2 | 57.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 108 | G | 30.8 | Very low | 30.7 | Very low | 64 Ų | 64 | 135.3 Ų | 135.3 | 66% | 0.66 | 78% | 0.778 | S | S | * | * | | | trans | -100.3 | 111.3 | 160.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | R106 S110 | R106-G108 PolarHBondContact O-N 2.91Å; G108-S110 PolarHBondContact O-N 3.4Å |
| 109 | L | 29.6 | Very low | 30.9 | Very low | 141 Ų | 141 | 137.9 Ų | 137.9 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | | | trans | -55 | 119.1 | 178.3 | -73.1 | 148.1 | 0 | 0 | 0 | 110.4 | F205 | L109-F205 HydrophobicContact CD1-CD2 4.34Å; L109-F205 HydrophobicContact CD1-CE1 3.69Å; L109-F205 HydrophobicContact CD1-CE2 3.41Å; L109-F205 VanDerWaalsContact CD1-CE2 3.41Å; L109-F205 HydrophobicContact CD1-CZ 3.05Å; L109-F205 HydrophobicContact CG-CZ 4.48Å |
| 110 | S | 33.2 | Very low | 31 | Very low | 113 Ų | 113 | 137.1 Ų | 137.1 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | | | trans | -128.3 | 128.3 | 151.8 | -172.2 | 0 | 0 | 0 | 0 | 108.7 | G108 A112 | G108-S110 PolarHBondContact O-N 3.4Å; S110-A112 PolarHBondContact O-N 2.94Å |
| 111 | R | 30.7 | Very low | 31 | Very low | 251 Ų | 251 | 135 Ų | 135 | 95% | 0.947 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -73 | 86.4 | -173.5 | -169.5 | -179.4 | -173.1 | -154.7 | 2.5 | 108.8 | | |
| 112 | A | 31.1 | Very low | 31.1 | Very low | 98 Ų | 98 | 138 Ų | 138 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | | | trans | -159.7 | 83.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | S110 | S110-A112 PolarHBondContact O-N 2.94Š|
| 113 | G | 32.1 | Very low | 31.3 | Very low | 74 Ų | 74 | 136.7 Ų | 136.7 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | | | trans | 178.1 | 21.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 114 | Q | 30.4 | Very low | 31.4 | Very low | 200 Ų | 200 | 138.8 Ų | 138.8 | 94% | 0.935 | 82% | 0.815 | S | S | * | * | | | trans | -86.6 | 99.5 | 155.1 | -81.2 | -175.6 | -72.7 | 0 | 0 | 106 | | |
| 115 | A | 27.7 | Very low | 31.3 | Very low | 74 Ų | 74 | 137.8 Ų | 137.8 | 61% | 0.612 | 81% | 0.806 | S | S | * | * | | | trans | 157.3 | 51.8 | 152 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 116 | H | 31.9 | Very low | 31.4 | Very low | 166 Ų | 166 | 140.2 Ų | 140.2 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | | | trans | -144 | 54 | 160.2 | -64.3 | -72.2 | 0 | 0 | 0 | 111 | | |
| 117 | T | 28.6 | Very low | 31.4 | Very low | 139 Ų | 139 | 136.5 Ų | 136.5 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -70.7 | 126.3 | 144.1 | 43 | 0 | 0 | 0 | 0 | 106.4 | | |
| 118 | A | 29.5 | Very low | 31.7 | Very low | 105 Ų | 105 | 136 Ų | 136 | 87% | 0.868 | 81% | 0.806 | S | S | * | * | S | Bend | trans | 86.6 | 55 | -179.2 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 119 | E | 32.6 | Very low | 31.9 | Very low | 137 Ų | 137 | 139.4 Ų | 139.4 | 64% | 0.64 | 81% | 0.814 | S | S | * | * | | | trans | -159.2 | 48 | 150.7 | -145.9 | -169.2 | 146.7 | 0 | 0 | 114 | | |
| 120 | V | 31.1 | Very low | 32 | Very low | 145 Ų | 145 | 137.8 Ų | 137.8 | 88% | 0.879 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -131.4 | 54.2 | 168.5 | -172.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 121 | V | 32.4 | Very low | 32.3 | Very low | 146 Ų | 146 | 136.7 Ų | 136.7 | 89% | 0.885 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -128.2 | 0.4 | 176 | 166.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 122 | R | 32.1 | Very low | 32.6 | Very low | 213 Ų | 213 | 129.3 Ų | 129.3 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -117 | 12.1 | -172.1 | -154.8 | 174.9 | -82.8 | 116.9 | -5.1 | 116.7 | | |
| 123 | A | 34.4 | Very low | 33 | Very low | 101 Ų | 101 | 132.8 Ų | 132.8 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -117.6 | 8.7 | 178 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 124 | Q | 32.9 | Very low | 33.1 | Very low | 190 Ų | 190 | 138 Ų | 138 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -111.5 | 64.1 | 175.9 | -67.1 | -171.4 | -8 | 0 | 0 | 110.5 | | |
| 125 | A | 30.4 | Very low | 33.1 | Very low | 92 Ų | 92 | 132.8 Ų | 132.8 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | | | trans | -162.4 | 58.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 126 | S | 34.3 | Very low | 33.6 | Very low | 113 Ų | 113 | 135.4 Ų | 135.4 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | | | trans | 179.1 | 89.9 | 161.3 | 46.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 127 | L | 33.5 | Very low | 33.7 | Very low | 173 Ų | 173 | 138.9 Ų | 138.9 | 91% | 0.906 | 82% | 0.817 | S | S | * | * | | | trans | -163.4 | 117.8 | 151.2 | -101 | 152.4 | 0 | 0 | 0 | 107.6 | | |
| 128 | P | 36 | Very low | 34.1 | Very low | 122 Ų | 122 | 140.7 Ų | 140.7 | 79% | 0.792 | 82% | 0.821 | S | S | * | * | | | trans | -83.4 | 142.9 | -170.9 | 31.7 | -32.6 | 0 | 0 | 0 | 112.6 | A130 | P128-A130 PolarHBondContact O-N 3.48Š|
| 129 | T | 34.5 | Very low | 34.4 | Very low | 135 Ų | 135 | 147.3 Ų | 147.3 | 83% | 0.828 | 82% | 0.823 | S | S | * | * | | | trans | -61.7 | 120.8 | 167.7 | -54.2 | 0 | 0 | 0 | 0 | 110.3 | A131 | T129-A131 PolarHBondContact O-N 2.87Š|
| 130 | A | 33.7 | Very low | 34.8 | Very low | 106 Ų | 106 | 147.9 Ų | 147.9 | 88% | 0.876 | 84% | 0.836 | S | S | * | * | | | trans | -78.6 | 103.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | P128 | P128-A130 PolarHBondContact O-N 3.48Š|
| 131 | A | 38.4 | Very low | 35.2 | Very low | 90 Ų | 90 | 145.2 Ų | 145.2 | 74% | 0.744 | 83% | 0.829 | S | S | * | * | | | trans | -98.7 | 153.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | T129 | T129-A131 PolarHBondContact O-N 2.87Š|
| 132 | S | 37.5 | Very low | 35.5 | Very low | 96 Ų | 96 | 144.6 Ų | 144.6 | 67% | 0.671 | 82% | 0.82 | S | S | * | * | | | trans | -34.1 | 152.8 | 173.9 | -163 | 0 | 0 | 0 | 0 | 117.1 | | |
| 133 | E | 38.5 | Very low | 36.1 | Very low | 171 Ų | 171 | 141.4 Ų | 141.4 | 80% | 0.799 | 83% | 0.825 | S | S | * | * | | | trans | 91.2 | 136.9 | 144.1 | -97 | 157 | 126.4 | 0 | 0 | 122.6 | | |
| 134 | E | 34.9 | Very low | 36.5 | Very low | 185 Ų | 185 | 145.9 Ų | 145.9 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | | | trans | 74 | 114.2 | 159.6 | -91.7 | -169.9 | 114.5 | 0 | 0 | 121.7 | | |
| 135 | A | 30.3 | Very low | 37 | Very low | 89 Ų | 89 | 145.4 Ų | 145.4 | 74% | 0.736 | 82% | 0.818 | S | S | * | * | | | trans | -75.6 | 155.1 | 160.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 136 | P | 38.2 | Very low | 37.6 | Very low | 129 Ų | 129 | 148.5 Ų | 148.5 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | | | | -146.9 | 160.4 | 104.9 | 27.3 | -6.4 | 0 | 0 | 0 | 115.6 | | |
| 137 | R | 33.5 | Very low | 38.2 | Very low | 239 Ų | 239 | 151.4 Ų | 151.4 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | | | trans | -80.7 | 137 | -176.9 | -62.9 | 177 | 162 | 178.5 | -4.1 | 112.9 | | |
| 138 | L | 37.4 | Very low | 38.7 | Very low | 178 Ų | 178 | 153.1 Ų | 153.1 | 93% | 0.932 | 80% | 0.804 | S | S | * | * | | | trans | -146 | 129.6 | 154.4 | -79.7 | 175.9 | 0 | 0 | 0 | 111 | | |
| 139 | R | 35.8 | Very low | 39.1 | Very low | 244 Ų | 244 | 151.2 Ų | 151.2 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | | | trans | -111.6 | 135 | 169.6 | -77 | -161.9 | 177.4 | 173.3 | 0.7 | 108.9 | | |
| 140 | V | 41.7 | Very low | 39.7 | Very low | 149 Ų | 149 | 149.7 Ų | 149.7 | 90% | 0.903 | 81% | 0.808 | S | S | * | * | | | trans | -147.6 | 139.2 | 158.3 | -179.7 | 0 | 0 | 0 | 0 | 108.8 | | |
| 141 | A | 39 | Very low | 40.4 | Very low | 89 Ų | 89 | 152.2 Ų | 152.2 | 74% | 0.736 | 81% | 0.807 | S | S | * | * | | | trans | -108.9 | 163 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 142 | D | 39.3 | Very low | 41.2 | Very low | 132 Ų | 132 | 157.5 Ų | 157.5 | 71% | 0.706 | 81% | 0.813 | S | S | * | * | | | trans | 76.7 | 117.5 | 147.5 | -147.2 | 11 | 0 | 0 | 0 | 119.8 | | |
| 143 | V | 44.8 | Very low | 42 | Very low | 147 Ų | 147 | 158.7 Ų | 158.7 | 89% | 0.891 | 82% | 0.819 | S | S | * | * | | | trans | -150.9 | 119.6 | 145.9 | -179.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 144 | R | 41.2 | Very low | 42.3 | Very low | 195 Ų | 195 | 162.4 Ų | 162.4 | 74% | 0.736 | 83% | 0.825 | S | S | * | * | | | trans | -89 | 155.5 | 175.3 | -79 | 177 | 170.3 | 176 | -2.6 | 113.1 | | |
| 145 | Q | 43.8 | Very low | 42.7 | Very low | 180 Ų | 180 | 157.4 Ų | 157.4 | 84% | 0.841 | 82% | 0.815 | S | S | * | * | | | trans | 69.3 | 122.7 | 148.6 | -75.9 | -170.4 | 61.2 | 0 | 0 | 120.8 | | |
| 146 | Q | 44.1 | Very low | 43.5 | Very low | 156 Ų | 156 | 164.6 Ų | 164.6 | 73% | 0.729 | 82% | 0.823 | S | S | * | * | | | trans | -161.4 | 110.6 | 140.5 | -154.4 | 159 | -105 | 0 | 0 | 116 | | |
| 147 | R | 46.6 | Very low | 44 | Very low | 175 Ų | 175 | 163.3 Ų | 163.3 | 66% | 0.66 | 82% | 0.817 | S | S | * | * | | | trans | 66.5 | 151 | 139.9 | -63.1 | 173.4 | -160.2 | -125.5 | -0.2 | 120.1 | | |
| 148 | R | 44.3 | Very low | 44.8 | Very low | 209 Ų | 209 | 163.4 Ų | 163.4 | 79% | 0.789 | 82% | 0.818 | S | S | * | * | | | cis | -177.8 | 149.5 | -6.2 | -102.5 | 172.9 | -170 | -153.8 | 0.4 | 108.7 | | |
| 149 | G | 44.4 | Very low | 45.3 | Very low | 82 Ų | 82 | 161 Ų | 161 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | | | trans | 89.8 | 142.6 | 150.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 150 | A | 47.6 | Very low | 45.6 | Very low | 103 Ų | 103 | 154.6 Ų | 154.6 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | | | cis | -164 | 160.2 | 1.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 151 | D | 47.6 | Very low | 45.7 | Very low | 158 Ų | 158 | 151.4 Ų | 151.4 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | | | trans | -55.7 | 165.2 | -177.2 | -57.3 | -65.9 | 0 | 0 | 0 | 116.1 | | |
| 152 | K | 55.4 | Low | 46 | Very low | 201 Ų | 201 | 155.5 Ų | 155.5 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | | | cis | 177.1 | 155 | 44.6 | -149 | 172.5 | -171 | 176 | 0 | 110.7 | | |
| 153 | P | 53.8 | Low | 46.3 | Very low | 122 Ų | 122 | 156.6 Ų | 156.6 | 79% | 0.792 | 82% | 0.819 | S | S | * | * | | | trans | -123.9 | 157.8 | 174 | 38.4 | -25.7 | 0 | 0 | 0 | 115.9 | | |
| 154 | R | 44.9 | Very low | 46.4 | Very low | 249 Ų | 249 | 153.9 Ų | 153.9 | 94% | 0.94 | 81% | 0.812 | S | S | * | * | | | trans | -172.9 | 126 | 153.6 | -121.7 | -175.6 | 175.1 | -169.7 | -0.9 | 117.6 | | |
| 155 | A | 43.7 | Very low | 46.9 | Very low | 79 Ų | 79 | 150.8 Ų | 150.8 | 65% | 0.653 | 82% | 0.815 | S | S | * | * | | | | 75.6 | 126.6 | 128.2 | 0 | 0 | 0 | 0 | 0 | 126.1 | | |
| 156 | R | 46.8 | Very low | 46.9 | Very low | 241 Ų | 241 | 148.3 Ų | 148.3 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | | | trans | 71.3 | 142 | 139.1 | -74.4 | -179.9 | 179 | -148 | -0.9 | 117.6 | | |
| 157 | S | 49 | Very low | 47 | Very low | 101 Ų | 101 | 144.2 Ų | 144.2 | 71% | 0.706 | 81% | 0.814 | S | S | * | * | | | cis | -174.3 | 151.3 | 19.6 | 16.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 158 | R | 48.8 | Very low | 47.1 | Very low | 241 Ų | 241 | 145.7 Ų | 145.7 | 91% | 0.909 | 83% | 0.825 | S | S | * | * | | | trans | 73.9 | 132.9 | 147.6 | -72 | 178.6 | 112.9 | 143.3 | 2.5 | 123.3 | | |
| 159 | P | 48.4 | Very low | 47 | Very low | 128 Ų | 128 | 147 Ų | 147 | 83% | 0.831 | 83% | 0.83 | S | S | * | * | | | trans | -116.6 | -179.9 | 158.2 | 39.7 | -26.5 | 0 | 0 | 0 | 113.8 | | |
| 160 | A | 42.9 | Very low | 46.9 | Very low | 110 Ų | 110 | 148.1 Ų | 148.1 | 91% | 0.909 | 83% | 0.825 | S | S | * | * | | | trans | 111.8 | 129.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 161 | G | 44.4 | Very low | 46.9 | Very low | 82 Ų | 82 | 147.9 Ų | 147.9 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | | | trans | 165.6 | 88.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 162 | E | 44 | Very low | 47.1 | Very low | 174 Ų | 174 | 145 Ų | 145 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | | | trans | -66.7 | 152.5 | 168.4 | -65.6 | 160 | 128.8 | 0 | 0 | 111.6 | | |
| 163 | N | 46.9 | Very low | 46.6 | Very low | 156 Ų | 156 | 142.5 Ų | 142.5 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | | | | 161.9 | 121.3 | 125.6 | -79.4 | -34.9 | 0 | 0 | 0 | 114.2 | | |
| 164 | A | 46.2 | Very low | 46.1 | Very low | 89 Ų | 89 | 147.4 Ų | 147.4 | 74% | 0.736 | 81% | 0.808 | S | S | * | * | | | | 63.3 | 122 | 128.8 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 165 | T | 50.5 | Low | 45.9 | Very low | 131 Ų | 131 | 144.3 Ų | 144.3 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | | 123.4 | 118.5 | 124.6 | -31.3 | 0 | 0 | 0 | 0 | 115 | | |
| 166 | P | 44 | Very low | 45.6 | Very low | 128 Ų | 128 | 146.3 Ų | 146.3 | 83% | 0.831 | 81% | 0.814 | S | S | * | * | | | trans | -98.5 | 151.2 | 175.6 | 36.8 | -29.2 | 0 | 0 | 0 | 112.2 | | |
| 167 | G | 47 | Very low | 45.3 | Very low | 69 Ų | 69 | 138.9 Ų | 138.9 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | | | trans | -173.4 | 129.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 168 | K | 48.8 | Very low | 44.9 | Very low | 206 Ų | 206 | 140.6 Ų | 140.6 | 90% | 0.896 | 81% | 0.811 | S | S | * | * | | | trans | 75.6 | 143.5 | 162.1 | -54.4 | -179.7 | -178.8 | -178 | 0 | 115.8 | | |
| 169 | R | 42.1 | Very low | 44.6 | Very low | 236 Ų | 236 | 133.5 Ų | 133.5 | 89% | 0.891 | 80% | 0.803 | S | S | * | * | | | cis | -177 | 138.2 | -26.3 | -120.2 | -179.3 | -171.1 | 179.5 | 2.4 | 102.3 | | |
| 170 | S | 42.2 | Very low | 44.3 | Very low | 106 Ų | 106 | 132.6 Ų | 132.6 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | | | trans | 76.6 | 121.8 | 146.8 | -145.1 | 0 | 0 | 0 | 0 | 120.9 | | |
| 171 | S | 47.2 | Very low | 44 | Very low | 99 Ų | 99 | 134.3 Ų | 134.3 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | | | trans | 85.9 | 130.3 | 130.9 | 49 | 0 | 0 | 0 | 0 | 122 | | |
| 172 | S | 52.1 | Low | 43.7 | Very low | 98 Ų | 98 | 136.2 Ų | 136.2 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | | | trans | 78.9 | 106 | 151.8 | 38.2 | 0 | 0 | 0 | 0 | 119.1 | | |
| 173 | D | 44 | Very low | 43.2 | Very low | 148 Ų | 148 | 136 Ų | 136 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | | | trans | 81.4 | 91 | 132.9 | -53.3 | -32.2 | 0 | 0 | 0 | 119.6 | | |
| 174 | R | 43.9 | Very low | 42.6 | Very low | 225 Ų | 225 | 139.7 Ų | 139.7 | 85% | 0.849 | 79% | 0.792 | S | S | * | * | | | | 10.3 | 125.1 | 120.6 | -70.8 | -179.5 | 179.2 | 163.9 | 0.2 | 113.9 | | |
| 175 | Q | 40.1 | Very low | 42 | Very low | 183 Ų | 183 | 141 Ų | 141 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | | | cis | -165 | 133.8 | 19.9 | -93.8 | 155 | -18.3 | 0 | 0 | 106.8 | | |
| 176 | S | 37.5 | Very low | 41.8 | Very low | 122 Ų | 122 | 142.9 Ų | 142.9 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | | | trans | -140.5 | 162.5 | 165 | -173.1 | 0 | 0 | 0 | 0 | 108.1 | | |
| 177 | A | 41.6 | Very low | 41.3 | Very low | 85 Ų | 85 | 141.2 Ų | 141.2 | 70% | 0.702 | 79% | 0.791 | S | S | * | * | | | trans | 88.7 | 104.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 178 | T | 39.9 | Very low | 41.1 | Very low | 137 Ų | 137 | 144.3 Ų | 144.3 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | | | | 69.1 | 120.3 | 61.2 | -50.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 179 | A | 43.3 | Very low | 40.5 | Very low | 92 Ų | 92 | 141.1 Ų | 141.1 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | | | trans | 96.6 | 143.7 | 155.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 180 | P | 42.2 | Very low | 40.1 | Very low | 108 Ų | 108 | 133.4 Ų | 133.4 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | | | trans | -112.4 | -176.9 | -147.7 | 39.3 | -25.1 | 0 | 0 | 0 | 113.6 | | |
| 181 | N | 36.4 | Very low | 39.7 | Very low | 146 Ų | 146 | 134.4 Ų | 134.4 | 78% | 0.781 | 80% | 0.797 | S | S | * | * | | | trans | 94.1 | 114.3 | 171.2 | -53.9 | -26.5 | 0 | 0 | 0 | 115.1 | | |
| 182 | T | 37.9 | Very low | 39 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | | | | 156.6 | 114.8 | 104.2 | -51.2 | 0 | 0 | 0 | 0 | 108.6 | R184 | T182-R184 PolarHBondContact O-N 3.43Š|
| 183 | L | 33.1 | Very low | 38.3 | Very low | 169 Ų | 169 | 138.2 Ų | 138.2 | 89% | 0.885 | 81% | 0.814 | S | S | * | * | | | trans | 12.5 | 101.7 | 156.1 | -75 | 156.2 | 0 | 0 | 0 | 117.4 | | |
| 184 | R | 35.6 | Very low | 38 | Very low | 235 Ų | 235 | 142.5 Ų | 142.5 | 89% | 0.887 | 82% | 0.819 | S | S | * | * | | | trans | -141.1 | 100 | 154 | -86.6 | -172 | 160.6 | 153.3 | -5.6 | 110.8 | T182 I186 | T182-R184 PolarHBondContact O-N 3.43Å; R184-I186 PolarHBondContact O-N 3.18Å |
| 185 | S | 33 | Very low | 37.9 | Very low | 117 Ų | 117 | 136 Ų | 136 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | | | trans | 24.3 | 97.7 | 131 | 160.1 | 0 | 0 | 0 | 0 | 116 | | |
| 186 | I | 46.8 | Very low | 37.7 | Very low | 170 Ų | 170 | 133.7 Ų | 133.7 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | | | trans | -136.6 | 117 | 155.3 | -56 | 179.8 | 0 | 0 | 0 | 108.4 | R184 | R184-I186 PolarHBondContact O-N 3.18Š|
| 187 | S | 33.3 | Very low | 38 | Very low | 92 Ų | 92 | 133.2 Ų | 133.2 | 64% | 0.643 | 80% | 0.801 | S | S | * | * | | | trans | -57 | 156.1 | -172.6 | -57.1 | 0 | 0 | 0 | 0 | 115.5 | T189 | S187-T189 PolarHBondContact O-N 2.92Š|
| 188 | P | 42.4 | Very low | 37.7 | Very low | 135 Ų | 135 | 134.4 Ų | 134.4 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -83.2 | 83.6 | -173.3 | 34.3 | -33.2 | 0 | 0 | 0 | 111.6 | | |
| 189 | T | 35.3 | Very low | 38 | Very low | 138 Ų | 138 | 132.7 Ų | 132.7 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | | | trans | -137.9 | 83.9 | 169.9 | -45.9 | 0 | 0 | 0 | 0 | 108.9 | S187 | S187-T189 PolarHBondContact O-N 2.92Š|
| 190 | G | 34.5 | Very low | 37.8 | Very low | 75 Ų | 75 | 137.9 Ų | 137.9 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | | | trans | -172.1 | 83.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A192 | G190-A192 PolarHBondContact O-N 3.45Š|
| 191 | S | 32.7 | Very low | 37.8 | Very low | 126 Ų | 126 | 136.2 Ų | 136.2 | 88% | 0.881 | 81% | 0.808 | S | S | * | * | | | trans | -61.6 | 117.1 | 170.5 | 45.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 192 | A | 32.6 | Very low | 38.3 | Very low | 93 Ų | 93 | 135.3 Ų | 135.3 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | | | trans | -149 | 74.7 | 159.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | G190 R194 | G190-A192 PolarHBondContact O-N 3.45Å; A192-R194 PolarHBondContact O-N 2.87Å |
| 193 | L | 38.6 | Very low | 38.6 | Very low | 184 Ų | 184 | 133.7 Ų | 133.7 | 96% | 0.963 | 79% | 0.794 | S | S | * | * | | | trans | -64.7 | 84 | 164.1 | -71.6 | 172 | 0 | 0 | 0 | 108.7 | A195 | L193-A195 PolarHBondContact O-N 2.81Š|
| 194 | R | 37.3 | Very low | 39.5 | Very low | 239 Ų | 239 | 130.3 Ų | 130.3 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | | | trans | -83 | 94.2 | 171.4 | -155 | 179.2 | -172.8 | -118.9 | 2.6 | 108 | A192 N196 | A192-R194 PolarHBondContact O-N 2.87Å; R194-N196 PolarHBondContact O-N 3.12Å |
| 195 | A | 41.1 | Very low | 39.8 | Very low | 89 Ų | 89 | 125.1 Ų | 125.1 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | | | trans | -58.8 | 131.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | L193 P197 | L193-A195 PolarHBondContact O-N 2.81Å; A195-P197 WeakPolarHBondContact O-CD 3.24Å |
| 196 | N | 37.3 | Very low | 40.2 | Very low | 134 Ų | 134 | 124.4 Ų | 124.4 | 72% | 0.717 | 76% | 0.761 | S | S | * | * | | | trans | -66.7 | 117.3 | 171.5 | 179.5 | 28.9 | 0 | 0 | 0 | 109.4 | R194 C198 | R194-N196 PolarHBondContact O-N 3.12Å; N196-C198 PolarHBondContact O-N 3.14Å; N196-C198 VanDerWaalsContact O-N 3.14Å |
| 197 | P | 42.6 | Very low | 39.7 | Very low | 111 Ų | 111 | 127 Ų | 127 | 72% | 0.721 | 76% | 0.759 | S | S | * | * | | | trans | -79 | 97 | 175.2 | 30.8 | -28.3 | 0 | 0 | 0 | 108.9 | A195 S199 | A195-P197 WeakPolarHBondContact O-CD 3.24Å; P197-S199 PolarHBondContact O-N 2.72Å; P197-S199 VanDerWaalsContact O-N 3.16Å |
| 198 | C | 36.5 | Very low | 40.2 | Very low | 111 Ų | 111 | 127 Ų | 127 | 75% | 0.75 | 75% | 0.752 | S | S | * | * | | | trans | -71.3 | 104.9 | 159.3 | -66.2 | 0 | 0 | 0 | 0 | 107.1 | N196 E200 | N196-C198 PolarHBondContact O-N 3.14Å; N196-C198 VanDerWaalsContact O-N 3.14Å; C198-E200 PolarHBondContact O-N 3.07Å |
| 199 | S | 45.5 | Very low | 40.2 | Very low | 101 Ų | 101 | 124.5 Ų | 124.5 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | | | trans | -62.6 | 115 | 176.9 | 52 | 0 | 0 | 0 | 0 | 110.3 | P197 G201 | P197-S199 PolarHBondContact O-N 2.72Å; P197-S199 VanDerWaalsContact O-N 3.16Å; S199-G201 PolarHBondContact O-N 3.33Å |
| 200 | E | 38.5 | Very low | 40.7 | Very low | 201 Ų | 201 | 124.4 Ų | 124.4 | 94% | 0.939 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.5 | 94.4 | 170.4 | -172.5 | 164.8 | -164.3 | 0 | 0 | 110.9 | C198 | C198-E200 PolarHBondContact O-N 3.07Š|
| 201 | G | 43.4 | Very low | 41 | Very low | 73 Ų | 73 | 124.6 Ų | 124.6 | 75% | 0.753 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 174.8 | -13.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | S199 | S199-G201 PolarHBondContact O-N 3.33Š|
| 202 | T | 47 | Very low | 41.5 | Very low | 127 Ų | 127 | 121.2 Ų | 121.2 | 78% | 0.779 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -141.7 | 7.4 | -168.1 | -20.7 | 0 | 0 | 0 | 0 | 116.1 | P204 | T202-P204 WeakPolarHBondContact O-CD 3.29Š|
| 203 | D | 42.8 | Very low | 42 | Very low | 87 Ų | 87 | 122.9 Ų | 122.9 | 47% | 0.465 | 69% | 0.694 | S | S | . | * | | | trans | -107 | 107.7 | 179.5 | -163.5 | -2 | 0 | 0 | 0 | 112 | F205 C206 | D203-F205 PolarHBondContact O-N 3.01Å; D203-F205 VanDerWaalsContact O-N 3.16Å; D203-F205 WeakPolarHBondContact OD1-CB 3.39Å; D203-F205 PolarHBondContact OD1-N 3.24Å; D203-F205 VanDerWaalsContact OD1-N 3.14Å; D203-C206 HydrophobicContact CB-CB 4.27Å; D203-C206 PolarHBondContact O-N 3.47Å; D203-C206 VanDerWaalsContact O-N 3.12Å; D203-C206 PolarHBondContact OD2-SG 2.98Å; D203-C206 VanDerWaalsContact OD2-SG 3.4Å |
| 204 | P | 52.2 | Low | 42.1 | Very low | 98 Ų | 98 | 122.4 Ų | 122.4 | 64% | 0.636 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -58.8 | -22.2 | 175 | -20.4 | 31.5 | 0 | 0 | 0 | 113.2 | T202 C206 | T202-P204 WeakPolarHBondContact O-CD 3.29Å; P204-C206 VanDerWaalsContact C-N 3.32Å |
| 205 | F | 42 | Very low | 42 | Very low | 126 Ų | 126 | 117.2 Ų | 117.2 | 55% | 0.553 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -79.2 | -16.3 | 180 | -72.3 | -82.8 | 0 | 0 | 0 | 113.4 | L109 D203 | L109-F205 HydrophobicContact CD1-CD2 4.34Å; L109-F205 HydrophobicContact CD1-CE1 3.69Å; L109-F205 HydrophobicContact CD1-CE2 3.41Å; L109-F205 VanDerWaalsContact CD1-CE2 3.41Å; L109-F205 HydrophobicContact CD1-CZ 3.05Å; L109-F205 HydrophobicContact CG-CZ 4.48Å; D203-F205 PolarHBondContact O-N 3.01Å; D203-F205 VanDerWaalsContact O-N 3.16Å; D203-F205 WeakPolarHBondContact OD1-CB 3.39Å; D203-F205 PolarHBondContact OD1-N 3.24Å; D203-F205 VanDerWaalsContact OD1-N 3.14Å |
| 206 | C | 42 | Very low | 41.8 | Very low | 103 Ų | 103 | 121.6 Ų | 121.6 | 70% | 0.696 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -91.6 | 3 | 179 | -63.7 | 0 | 0 | 0 | 0 | 113.7 | D203 P204 | D203-C206 HydrophobicContact CB-CB 4.27Å; D203-C206 PolarHBondContact O-N 3.47Å; D203-C206 VanDerWaalsContact O-N 3.12Å; D203-C206 PolarHBondContact OD2-SG 2.98Å; D203-C206 VanDerWaalsContact OD2-SG 3.4Å; P204-C206 VanDerWaalsContact C-N 3.32Å |
| 207 | R | 37.4 | Very low | 41.9 | Very low | 223 Ų | 223 | 120.1 Ų | 120.1 | 84% | 0.842 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -117.9 | 8.7 | 175.4 | -75.6 | -154.2 | 173.9 | -171.1 | 0.7 | 114.8 | P209 | R207-P209 WeakPolarHBondContact O-CD 3.35Å; R207-P209 VanDerWaalsContact O-N 3.15Å |
| 208 | L | 43.8 | Very low | 41.9 | Very low | 93 Ų | 93 | 120.8 Ų | 120.8 | 49% | 0.487 | 66% | 0.663 | S | S | . | * | | | trans | -70.7 | 110.4 | 169 | -92.1 | 109.4 | 0 | 0 | 0 | 109 | L210 A212 | L208-L210 PolarHBondContact O-N 3.44Å; L208-L210 VanDerWaalsContact O-N 3.13Å; L208-A212 HydrophobicContact CD2-CB 4.46Å |
| 209 | P | 41.4 | Very low | 42.2 | Very low | 83 Ų | 83 | 118.8 Ų | 118.8 | 54% | 0.539 | 66% | 0.655 | S | S | . | * | | | trans | -58.6 | 124.9 | 167 | 26.8 | -32.1 | 0 | 0 | 0 | 106.5 | R207 S211 A212 | R207-P209 WeakPolarHBondContact O-CD 3.35Å; R207-P209 VanDerWaalsContact O-N 3.15Å; P209-S211 PolarHBondContact O-N 2.98Å; P209-A212 PolarHBondContact O-N 3.5Å |
| 210 | L | 45.1 | Very low | 42.1 | Very low | 136 Ų | 136 | 118.9 Ų | 118.9 | 71% | 0.712 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -45.4 | -23.9 | 175.6 | -78.6 | 157.9 | 0 | 0 | 0 | 112.5 | L208 A212 L213 F214 | L208-L210 PolarHBondContact O-N 3.44Å; L208-L210 VanDerWaalsContact O-N 3.13Å; L210-A212 VanDerWaalsContact C-N 3.26Å; L210-A212 PolarHBondContact O-N 3.43Å; L210-L213 PolarHBondContact O-N 2.66Å; L210-F214 WeakPolarHBondContact O-CD2 3.36Å |
| 211 | S | 40.5 | Very low | 42.7 | Very low | 78 Ų | 78 | 115.1 Ų | 115.1 | 55% | 0.545 | 63% | 0.633 | S | S | . | * | G | 310 helix | trans | -59.6 | -20.1 | 173.5 | -39.9 | 0 | 0 | 0 | 0 | 116.2 | P209 N215 | P209-S211 PolarHBondContact O-N 2.98Å; S211-N215 PolarHBondContact O-ND2 3.35Å; S211-N215 VanDerWaalsContact O-ND2 3.16Å |
| 212 | A | 43.2 | Very low | 43 | Very low | 55 Ų | 55 | 116.4 Ų | 116.4 | 46% | 0.455 | 62% | 0.622 | S | S | . | * | G | 310 helix | trans | -82.1 | -20.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L208 P209 L210 | L208-A212 HydrophobicContact CD2-CB 4.46Å; P209-A212 PolarHBondContact O-N 3.5Å; L210-A212 VanDerWaalsContact C-N 3.26Å; L210-A212 PolarHBondContact O-N 3.43Å |
| 213 | L | 43.3 | Very low | 43.6 | Very low | 129 Ų | 129 | 112.4 Ų | 112.4 | 68% | 0.675 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -91.7 | -10.5 | 177.7 | -66.6 | 172.7 | 0 | 0 | 0 | 113.1 | L210 | L210-L213 PolarHBondContact O-N 2.66Š|
| 214 | F | 41.6 | Very low | 44 | Very low | 174 Ų | 174 | 111.9 Ų | 111.9 | 76% | 0.763 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -114.8 | 6.4 | -176.1 | -75.7 | -82.3 | 0 | 0 | 0 | 114.7 | L210 | L210-F214 WeakPolarHBondContact O-CD2 3.36Š|
| 215 | N | 34.7 | Very low | 43.9 | Very low | 130 Ų | 130 | 112.8 Ų | 112.8 | 70% | 0.695 | 60% | 0.603 | S | S | * | * | | | trans | -121.1 | 21.7 | 175.9 | -82.1 | -64 | 0 | 0 | 0 | 112.9 | S211 P217 | S211-N215 PolarHBondContact O-ND2 3.35Å; S211-N215 VanDerWaalsContact O-ND2 3.16Å; N215-P217 WeakPolarHBondContact O-CD 3.13Å |
| 216 | W | 36.3 | Very low | 44.7 | Very low | 180 Ų | 180 | 110.9 Ų | 110.9 | 68% | 0.682 | 60% | 0.598 | S | S | * | * | | | trans | -76.2 | 110.3 | 171.5 | -166.6 | -98.1 | 0 | 0 | 0 | 108.9 | E218 | W216-E218 VanDerWaalsContact CE2-OE2 3.29Å; W216-E218 HydrophobicContact CG-CB 4.43Å; W216-E218 WeakPolarHBondContact CZ2-OE2 3.33Å; W216-E218 PolarHBondContact NE1-OE2 2.88Å; W216-E218 PolarHBondContact O-N 3.16Å; W216-E218 VanDerWaalsContact O-N 3.09Å |
| 217 | P | 39.8 | Very low | 45.4 | Very low | 104 Ų | 104 | 113.9 Ų | 113.9 | 68% | 0.675 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -74.6 | 3.5 | -171.3 | 31.1 | -32.4 | 0 | 0 | 0 | 113.6 | N215 A219 | N215-P217 WeakPolarHBondContact O-CD 3.13Å; P217-A219 VanDerWaalsContact C-N 3.3Å; P217-A219 PolarHBondContact O-N 3.3Å |
| 218 | E | 43.2 | Very low | 46 | Very low | 124 Ų | 124 | 108.7 Ų | 108.7 | 58% | 0.579 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -85 | -0 | -174.1 | -148.2 | 164.3 | -156.9 | 0 | 0 | 113.9 | W216 | W216-E218 VanDerWaalsContact CE2-OE2 3.29Å; W216-E218 HydrophobicContact CG-CB 4.43Å; W216-E218 WeakPolarHBondContact CZ2-OE2 3.33Å; W216-E218 PolarHBondContact NE1-OE2 2.88Å; W216-E218 PolarHBondContact O-N 3.16Å; W216-E218 VanDerWaalsContact O-N 3.09Å |
| 219 | A | 43 | Very low | 46.5 | Very low | 70 Ų | 70 | 111 Ų | 111 | 58% | 0.579 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -89.9 | -6.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | P217 H221 L222 | P217-A219 VanDerWaalsContact C-N 3.3Å; P217-A219 PolarHBondContact O-N 3.3Å; A219-H221 VanDerWaalsContact C-N 3.26Å; A219-H221 PolarHBondContact O-N 3.03Å; A219-L222 PolarHBondContact O-N 3.04Å |
| 220 | V | 44.2 | Very low | 46.7 | Very low | 102 Ų | 102 | 111.8 Ų | 111.8 | 62% | 0.618 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -67.7 | -28.8 | 176.4 | 179.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 221 | H | 49.5 | Very low | 46.9 | Very low | 123 Ų | 123 | 113.9 Ų | 113.9 | 57% | 0.569 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -90.5 | -15.6 | -179.7 | -57.2 | -55.2 | 0 | 0 | 0 | 114.4 | A219 G223 D224 L225 | A219-H221 VanDerWaalsContact C-N 3.26Å; A219-H221 PolarHBondContact O-N 3.03Å; H221-G223 VanDerWaalsContact C-N 3.34Å; H221-D224 PolarHBondContact O-N 3.05Å; H221-L225 WeakPolarHBondContact O-CD1 3.19Å; H221-L225 PolarHBondContact O-N 3.39Å |
| 222 | L | 49.6 | Very low | 47.1 | Very low | 99 Ų | 99 | 112.2 Ų | 112.2 | 52% | 0.518 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -70.2 | -33.7 | 174 | -101.4 | 77.4 | 0 | 0 | 0 | 112 | A219 D224 L225 L226 | A219-L222 PolarHBondContact O-N 3.04Å; L222-D224 VanDerWaalsContact C-N 3.3Å; L222-L225 PolarHBondContact O-N 3.09Å; L222-L226 PolarHBondContact O-N 3.44Å |
| 223 | G | 60.6 | Low | 47 | Very low | 44 Ų | 44 | 111.8 Ų | 111.8 | 45% | 0.454 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.3 | -39.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | H221 R227 | H221-G223 VanDerWaalsContact C-N 3.34Å; G223-R227 WeakPolarHBondContact O-CB 3.38Å; G223-R227 PolarHBondContact O-N 3.33Å |
| 224 | D | 50.9 | Low | 46.9 | Very low | 76 Ų | 76 | 110.5 Ų | 110.5 | 41% | 0.406 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -70.4 | -42 | 176.8 | -66.2 | -27.7 | 0 | 0 | 0 | 111.7 | H221 L222 L226 R227 I228 | H221-D224 PolarHBondContact O-N 3.05Å; L222-D224 VanDerWaalsContact C-N 3.3Å; D224-L226 PolarHBondContact O-N 3.26Å; D224-R227 PolarHBondContact O-N 3.01Å; D224-I228 WeakPolarHBondContact O-CB 3.2Å; D224-I228 WeakPolarHBondContact O-CD1 3.22Å; D224-I228 WeakPolarHBondContact O-CG1 3.39Å; D224-I228 PolarHBondContact O-N 3.06Å |
| 225 | L | 50.5 | Low | 47 | Very low | 117 Ų | 117 | 109 Ų | 109 | 61% | 0.613 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -60.3 | -45.3 | 175.2 | -101.6 | 74.1 | 0 | 0 | 0 | 112.4 | H221 L222 R227 I228 W229 | H221-L225 WeakPolarHBondContact O-CD1 3.19Å; H221-L225 PolarHBondContact O-N 3.39Å; L222-L225 PolarHBondContact O-N 3.09Å; L225-R227 VanDerWaalsContact C-N 3.35Å; L225-I228 PolarHBondContact O-N 3.19Å; L225-W229 WeakPolarHBondContact O-CB 3.4Å; L225-W229 PolarHBondContact O-N 3.06Å |
| 226 | L | 59 | Low | 47.1 | Very low | 86 Ų | 86 | 109.8 Ų | 109.8 | 45% | 0.45 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.8 | -35.2 | 177 | -76.7 | 166 | 0 | 0 | 0 | 111.8 | L222 D224 W229 V230 | L222-L226 PolarHBondContact O-N 3.44Å; D224-L226 PolarHBondContact O-N 3.26Å; L226-W229 PolarHBondContact O-N 3.09Å; L226-V230 WeakPolarHBondContact O-CB 3.49Å; L226-V230 WeakPolarHBondContact O-CG2 3.39Å; L226-V230 PolarHBondContact O-N 3.05Å |
| 227 | R | 55.6 | Low | 47.1 | Very low | 165 Ų | 165 | 111.3 Ų | 111.3 | 62% | 0.623 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -72.1 | -36.2 | 177.2 | -166.3 | 175 | -173 | -175.7 | 1.6 | 112.7 | G223 D224 L225 R231 | G223-R227 WeakPolarHBondContact O-CB 3.38Å; G223-R227 PolarHBondContact O-N 3.33Å; D224-R227 PolarHBondContact O-N 3.01Å; L225-R227 VanDerWaalsContact C-N 3.35Å; R227-R231 PolarHBondContact O-N 3.23Å |
| 228 | I | 50.2 | Low | 46.8 | Very low | 115 Ų | 115 | 109.2 Ų | 109.2 | 59% | 0.59 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -67.3 | -40.7 | 172.8 | -68.1 | 162.2 | 0 | 0 | 0 | 109.7 | D224 L225 R231 A232 | D224-I228 WeakPolarHBondContact O-CB 3.2Å; D224-I228 WeakPolarHBondContact O-CD1 3.22Å; D224-I228 WeakPolarHBondContact O-CG1 3.39Å; D224-I228 PolarHBondContact O-N 3.06Å; L225-I228 PolarHBondContact O-N 3.19Å; I228-R231 PolarHBondContact O-N 3.4Å; I228-A232 VanDerWaalsContact O-CB 3.27Å; I228-A232 WeakPolarHBondContact O-CB 3.42Å; I228-A232 PolarHBondContact O-N 3.03Å |
| 229 | W | 54 | Low | 46.4 | Very low | 141 Ų | 141 | 112 Ų | 112 | 53% | 0.534 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -74.9 | -34 | -179.8 | -166.9 | 35 | 0 | 0 | 0 | 113.8 | L225 L226 R231 A232 S233 | L225-W229 WeakPolarHBondContact O-CB 3.4Å; L225-W229 PolarHBondContact O-N 3.06Å; L226-W229 PolarHBondContact O-N 3.09Å; W229-R231 VanDerWaalsContact C-N 3.35Å; W229-A232 PolarHBondContact O-N 3.26Å; W229-S233 VanDerWaalsContact O-CB 3.29Å; W229-S233 WeakPolarHBondContact O-CB 3.24Å; W229-S233 PolarHBondContact O-N 3.16Å; W229-S233 PolarHBondContact O-OG 3.13Å |
| 230 | V | 46.3 | Very low | 45.8 | Very low | 100 Ų | 100 | 111.7 Ų | 111.7 | 61% | 0.606 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -65.8 | -37.2 | 171.9 | 169 | 0 | 0 | 0 | 0 | 111.2 | L226 T234 | L226-V230 WeakPolarHBondContact O-CB 3.49Å; L226-V230 WeakPolarHBondContact O-CG2 3.39Å; L226-V230 PolarHBondContact O-N 3.05Å; V230-T234 PolarHBondContact O-OG1 3Å |
| 231 | R | 48.3 | Very low | 45.1 | Very low | 180 Ų | 180 | 116.8 Ų | 116.8 | 68% | 0.679 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -74.3 | -32.1 | 172.9 | -92 | -178.9 | 160.6 | 168 | -6.9 | 113.7 | R227 I228 W229 T234 | R227-R231 PolarHBondContact O-N 3.23Å; I228-R231 PolarHBondContact O-N 3.4Å; W229-R231 VanDerWaalsContact C-N 3.35Å; R231-T234 PolarHBondContact O-OG1 2.89Å |
| 232 | A | 44.8 | Very low | 44.4 | Very low | 42 Ų | 42 | 117 Ų | 117 | 35% | 0.347 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -74.2 | -35.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I228 W229 T234 N235 | I228-A232 VanDerWaalsContact O-CB 3.27Å; I228-A232 WeakPolarHBondContact O-CB 3.42Å; I228-A232 PolarHBondContact O-N 3.03Å; W229-A232 PolarHBondContact O-N 3.26Å; A232-T234 VanDerWaalsContact C-N 3.26Å; A232-T234 PolarHBondContact O-N 3.14Å; A232-N235 PolarHBondContact O-N 3.12Å; A232-N235 VanDerWaalsContact O-N 3.09Å |
| 233 | S | 41.7 | Very low | 44 | Very low | 46 Ų | 46 | 123.7 Ų | 123.7 | 32% | 0.322 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -70.8 | -20.3 | 179.5 | -62.9 | 0 | 0 | 0 | 0 | 113.4 | W229 N235 Y237 | W229-S233 VanDerWaalsContact O-CB 3.29Å; W229-S233 WeakPolarHBondContact O-CB 3.24Å; W229-S233 PolarHBondContact O-N 3.16Å; W229-S233 PolarHBondContact O-OG 3.13Å; S233-N235 VanDerWaalsContact C-N 3.34Å; S233-Y237 VanDerWaalsContact O-CD2 3.24Å; S233-Y237 WeakPolarHBondContact O-CD2 3Å; S233-Y237 VanDerWaalsContact O-CE2 3.32Å; S233-Y237 WeakPolarHBondContact O-CE2 3.36Å |
| 234 | T | 41.9 | Very low | 42.5 | Very low | 103 Ų | 103 | 128.2 Ų | 128.2 | 63% | 0.632 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -9.1 | 171 | 42.1 | 0 | 0 | 0 | 0 | 114 | V230 R231 A232 | V230-T234 PolarHBondContact O-OG1 3Å; R231-T234 PolarHBondContact O-OG1 2.89Å; A232-T234 VanDerWaalsContact C-N 3.26Å; A232-T234 PolarHBondContact O-N 3.14Å |
| 235 | N | 42.1 | Very low | 41.9 | Very low | 141 Ų | 141 | 131.4 Ų | 131.4 | 75% | 0.754 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -110.1 | 6.4 | 179.3 | -91.2 | -45.4 | 0 | 0 | 0 | 114.1 | A232 S233 | A232-N235 PolarHBondContact O-N 3.12Å; A232-N235 VanDerWaalsContact O-N 3.09Å; S233-N235 VanDerWaalsContact C-N 3.34Å |
| 236 | L | 37.8 | Very low | 41.1 | Very low | 147 Ų | 147 | 134.9 Ų | 134.9 | 77% | 0.77 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -107.7 | 8 | 175.8 | -80.6 | 157.9 | 0 | 0 | 0 | 113.8 | | |
| 237 | Y | 37.2 | Very low | 40 | Very low | 212 Ų | 212 | 135.8 Ų | 135.8 | 83% | 0.831 | 71% | 0.713 | S | S | * | * | | | trans | -101.4 | 65.6 | 166.6 | -66.1 | -81.8 | 0 | 0 | 0 | 109.6 | S233 | S233-Y237 VanDerWaalsContact O-CD2 3.24Å; S233-Y237 WeakPolarHBondContact O-CD2 3Å; S233-Y237 VanDerWaalsContact O-CE2 3.32Å; S233-Y237 WeakPolarHBondContact O-CE2 3.36Å |
| 238 | G | 31.5 | Very low | 39.3 | Very low | 60 Ų | 60 | 134.2 Ų | 134.2 | 62% | 0.619 | 72% | 0.721 | S | S | * | * | | | trans | -138.6 | 21.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 239 | L | 35 | Very low | 38.6 | Very low | 184 Ų | 184 | 134.2 Ų | 134.2 | 96% | 0.963 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -155.2 | 110.8 | 171.6 | -90.6 | 113.5 | 0 | 0 | 0 | 109.9 | | |
| 240 | G | 31.3 | Very low | 37.8 | Very low | 63 Ų | 63 | 135.2 Ų | 135.2 | 65% | 0.649 | 74% | 0.744 | S | S | * | * | | | trans | 116.1 | 52.5 | 153.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 241 | F | 29.5 | Very low | 37.4 | Very low | 208 Ų | 208 | 134.6 Ų | 134.6 | 91% | 0.912 | 75% | 0.75 | S | S | * | * | | | trans | -144 | 63.4 | 153 | -67.2 | -72 | 0 | 0 | 0 | 110.9 | R243 | F241-R243 PolarHBondContact O-N 3.25Š|
| 242 | S | 34 | Very low | 36.9 | Very low | 128 Ų | 128 | 133 Ų | 133 | 90% | 0.895 | 76% | 0.761 | S | S | * | * | | | trans | -78.8 | 97.9 | 167.7 | -72.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 243 | R | 40.9 | Very low | 36.7 | Very low | 240 Ų | 240 | 134.4 Ų | 134.4 | 91% | 0.906 | 78% | 0.779 | S | S | * | * | | | trans | -77.5 | 121.3 | 157.8 | -67 | -171.2 | -177 | -149.7 | 1.3 | 107.6 | F241 V245 | F241-R243 PolarHBondContact O-N 3.25Å; R243-V245 PolarHBondContact O-N 2.81Å |
| 244 | T | 30.7 | Very low | 36 | Very low | 139 Ų | 139 | 140.3 Ų | 140.3 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | | | trans | -51.2 | 120.6 | 173.5 | -19.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 245 | V | 38 | Very low | 35.8 | Very low | 143 Ų | 143 | 139.2 Ų | 139.2 | 87% | 0.867 | 81% | 0.809 | S | S | * | * | | | trans | -156 | 133.2 | 142.7 | 132.6 | 0 | 0 | 0 | 0 | 108.5 | R243 | R243-V245 PolarHBondContact O-N 2.81Š|
| 246 | E | 33.5 | Very low | 35.5 | Very low | 190 Ų | 190 | 136.8 Ų | 136.8 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | | | trans | -86.3 | 119.6 | -166.4 | -175.6 | 179.3 | -157.8 | 0 | 0 | 110.3 | | |
| 247 | S | 36.5 | Very low | 35.2 | Very low | 104 Ų | 104 | 139.7 Ų | 139.7 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | | | trans | -169.7 | 104.1 | 144.2 | 67.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 248 | V | 40.2 | Very low | 34.9 | Very low | 132 Ų | 132 | 135.9 Ų | 135.9 | 80% | 0.8 | 82% | 0.818 | S | S | * | * | | | trans | 64.8 | 112.7 | 145.7 | -166.1 | 0 | 0 | 0 | 0 | 119.1 | | |
| 249 | P | 35.9 | Very low | 35.1 | Very low | 116 Ų | 116 | 136.1 Ų | 136.1 | 75% | 0.753 | 82% | 0.82 | S | S | * | * | | | trans | -92 | 145 | 171.8 | 36.1 | -28.5 | 0 | 0 | 0 | 111.1 | | |
| 250 | N | 36.3 | Very low | 35 | Very low | 161 Ų | 161 | 134.6 Ų | 134.6 | 86% | 0.861 | 81% | 0.813 | S | S | * | * | | | trans | -138.1 | 113.8 | 159 | -109.9 | -18.6 | 0 | 0 | 0 | 110.9 | | |
| 251 | A | 37.5 | Very low | 35.3 | Very low | 88 Ų | 88 | 140 Ų | 140 | 73% | 0.727 | 83% | 0.825 | S | S | * | * | | | trans | 21.8 | 116.2 | 154.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 252 | T | 38.8 | Very low | 35.8 | Very low | 147 Ų | 147 | 136.1 Ų | 136.1 | 90% | 0.902 | 82% | 0.818 | S | S | * | * | | | | 178.3 | 118 | 118.3 | -70.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 253 | G | 39.5 | Very low | 35.8 | Very low | 71 Ų | 71 | 134.3 Ų | 134.3 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | | | trans | 74.1 | 81.1 | 144.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | A255 | G253-A255 PolarHBondContact O-N 3.16Š|
| 254 | D | 28.7 | Very low | 35.3 | Very low | 169 Ų | 169 | 131.4 Ų | 131.4 | 90% | 0.904 | 81% | 0.811 | S | S | * | * | | | trans | -60.1 | 119.1 | 155.2 | -168.2 | 8.4 | 0 | 0 | 0 | 109.7 | | |
| 255 | A | 37.3 | Very low | 35.5 | Very low | 81 Ų | 81 | 130.5 Ų | 130.5 | 67% | 0.669 | 81% | 0.81 | S | S | * | * | | | trans | -136.4 | 106 | 171 | 0 | 0 | 0 | 0 | 0 | 109.1 | G253 | G253-A255 PolarHBondContact O-N 3.16Š|
| 256 | A | 35.4 | Very low | 35.3 | Very low | 89 Ų | 89 | 127 Ų | 127 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | | | trans | -46.3 | 134 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 257 | F | 32 | Very low | 35.2 | Very low | 209 Ų | 209 | 126.5 Ų | 126.5 | 92% | 0.917 | 80% | 0.801 | S | S | * | * | | | trans | -131 | 90.8 | 155.3 | -85.6 | -81.3 | 0 | 0 | 0 | 109.4 | | |
| 258 | C | 30.7 | Very low | 35.1 | Very low | 132 Ų | 132 | 127 Ų | 127 | 89% | 0.892 | 80% | 0.802 | S | S | * | * | | | trans | -111.1 | 116.4 | 154.2 | -169 | 0 | 0 | 0 | 0 | 105.4 | | |
| 259 | G | 35.8 | Very low | 34.7 | Very low | 64 Ų | 64 | 124.3 Ų | 124.3 | 66% | 0.66 | 80% | 0.801 | S | S | * | * | | | trans | -165.4 | 111.2 | -177 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 260 | D | 32.3 | Very low | 34.6 | Very low | 153 Ų | 153 | 124 Ų | 124 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | -50.2 | 131.6 | -175.9 | -59.3 | -58.7 | 0 | 0 | 0 | 114.5 | | |
| 261 | I | 36.9 | Very low | 35 | Very low | 175 Ų | 175 | 120.4 Ų | 120.4 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | | | trans | -98.8 | 86.8 | 164.4 | -57.3 | 179.7 | 0 | 0 | 0 | 107.6 | | |
| 262 | V | 40.1 | Very low | 34.7 | Very low | 128 Ų | 128 | 123.1 Ų | 123.1 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | | | trans | -87.5 | 144.2 | 163.2 | 169.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 263 | A | 34.4 | Very low | 34.5 | Very low | 90 Ų | 90 | 122.6 Ų | 122.6 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | | | trans | -27.8 | 139.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | S265 | A263-S265 PolarHBondContact O-N 3.3Å; A263-S265 VanDerWaalsContact O-N 3.15Å |
| 264 | I | 30.9 | Very low | 34.8 | Very low | 179 Ų | 179 | 125.6 Ų | 125.6 | 92% | 0.918 | 80% | 0.796 | S | S | * | * | | | trans | -66 | 101.6 | 171.2 | -48.9 | 165.8 | 0 | 0 | 0 | 109.3 | | |
| 265 | S | 34.9 | Very low | 35.2 | Very low | 119 Ų | 119 | 123.4 Ų | 123.4 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | | | trans | -145.3 | 98.3 | 158.9 | -180 | 0 | 0 | 0 | 0 | 107.2 | A263 | A263-S265 PolarHBondContact O-N 3.3Å; A263-S265 VanDerWaalsContact O-N 3.15Å |
| 266 | G | 34.5 | Very low | 35.4 | Very low | 70 Ų | 70 | 129 Ų | 129 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | | | trans | -136 | 92.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 267 | Q | 30.8 | Very low | 35.7 | Very low | 180 Ų | 180 | 132.2 Ų | 132.2 | 84% | 0.841 | 80% | 0.796 | S | S | * | * | | | trans | -159.3 | 149.3 | 150.1 | -87.9 | -68.5 | -79.3 | 0 | 0 | 106 | | |
| 268 | P | 33.5 | Very low | 35.8 | Very low | 114 Ų | 114 | 129.8 Ų | 129.8 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | | | cis | -124.2 | 171 | -3.1 | 34.2 | -15 | 0 | 0 | 0 | 112.7 | | |
| 269 | G | 32 | Very low | 36.4 | Very low | 76 Ų | 76 | 131.1 Ų | 131.1 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | | | trans | -70.7 | 164.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 270 | S | 35.3 | Very low | 36.8 | Very low | 108 Ų | 108 | 135.9 Ų | 135.9 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | | | trans | 174.3 | 131.5 | 140.6 | -179.1 | 0 | 0 | 0 | 0 | 108.7 | | |
| 271 | S | 42.8 | Very low | 37.1 | Very low | 87 Ų | 87 | 133.5 Ų | 133.5 | 61% | 0.608 | 77% | 0.772 | S | S | * | * | | | trans | 48.3 | 139.1 | 151.8 | 62.2 | 0 | 0 | 0 | 0 | 118.6 | | |
| 272 | D | 32.7 | Very low | 37.3 | Very low | 145 Ų | 145 | 132.7 Ų | 132.7 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | | | cis | 176.9 | 132.4 | -2.4 | -90.6 | -36.8 | 0 | 0 | 0 | 100.2 | | |
| 273 | C | 34.3 | Very low | 37.2 | Very low | 136 Ų | 136 | 131.8 Ų | 131.8 | 92% | 0.919 | 77% | 0.768 | S | S | * | * | | | trans | -169.6 | 110.6 | 151.9 | -99.5 | 0 | 0 | 0 | 0 | 109.3 | | |
| 274 | V | 45 | Very low | 37.5 | Very low | 133 Ų | 133 | 130.9 Ų | 130.9 | 81% | 0.806 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 140.2 | 179.9 | 175.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 275 | P | 38 | Very low | 37.8 | Very low | 123 Ų | 123 | 129 Ų | 129 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 129.8 | 164.4 | 32.8 | -26.4 | 0 | 0 | 0 | 110 | | |
| 276 | Y | 41 | Very low | 38.1 | Very low | 199 Ų | 199 | 127.1 Ų | 127.1 | 78% | 0.78 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 134.5 | 179.1 | 140.1 | -95.6 | 0 | 0 | 0 | 111.2 | | |
| 277 | E | 42.6 | Very low | 38.5 | Very low | 156 Ų | 156 | 131.8 Ų | 131.8 | 73% | 0.729 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -103.2 | 139.2 | 172.8 | -82.6 | -74.3 | 163.9 | 0 | 0 | 111.5 | | |
| 278 | E | 34.3 | Very low | 39 | Very low | 158 Ų | 158 | 126.9 Ų | 126.9 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | | | trans | 44.3 | 124.4 | 142 | -152.1 | -163.9 | 155.5 | 0 | 0 | 121.8 | | |
| 279 | K | 42.3 | Very low | 39.2 | Very low | 160 Ų | 160 | 128.1 Ų | 128.1 | 70% | 0.696 | 77% | 0.772 | S | S | * | * | | | | -174.1 | 127.4 | 128 | -124.3 | -176.5 | 174.4 | 158.2 | 0 | 116.8 | | |
| 280 | K | 45.4 | Very low | 39.6 | Very low | 164 Ų | 164 | 129.9 Ų | 129.9 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | | | | 86.7 | 118.2 | 123.2 | -110.4 | -172.7 | -175.1 | -173.5 | 0 | 123.7 | | |
| 281 | T | 38.5 | Very low | 40 | Very low | 103 Ų | 103 | 130.6 Ų | 130.6 | 63% | 0.632 | 77% | 0.774 | S | S | * | * | | | | 114.6 | 107.6 | 121 | -39.7 | 0 | 0 | 0 | 0 | 118.9 | | |
| 282 | L | 40.5 | Very low | 39.5 | Very low | 159 Ų | 159 | 131.6 Ų | 131.6 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | | | trans | 33.9 | 151.3 | 132.4 | -54.2 | 170 | 0 | 0 | 0 | 120.3 | | |
| 283 | S | 37.1 | Very low | 40 | Very low | 109 Ų | 109 | 130.7 Ų | 130.7 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | | | cis | 175.5 | 151.7 | -7.4 | 49.1 | 0 | 0 | 0 | 0 | 107.8 | | |
| 284 | G | 40.3 | Very low | 40.4 | Very low | 70 Ų | 70 | 132.5 Ų | 132.5 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | | | trans | 103.6 | 143.5 | 162 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 285 | T | 37.2 | Very low | 40.3 | Very low | 140 Ų | 140 | 131.2 Ų | 131.2 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | | | cis | -164.6 | 143.4 | 7.9 | -62.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 286 | A | 42 | Very low | 40.5 | Very low | 79 Ų | 79 | 132.5 Ų | 132.5 | 65% | 0.653 | 78% | 0.784 | S | S | * | * | | | trans | 4.8 | 167.1 | 155.6 | 0 | 0 | 0 | 0 | 0 | 125.2 | | |
| 287 | D | 42.8 | Very low | 41.1 | Very low | 168 Ų | 168 | 128.1 Ų | 128.1 | 90% | 0.898 | 78% | 0.78 | S | S | * | * | | | trans | 99 | 122.4 | 169.3 | -55.8 | -20.9 | 0 | 0 | 0 | 114.6 | | |
| 288 | G | 41.3 | Very low | 41 | Very low | 77 Ų | 77 | 132.7 Ų | 132.7 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | | | cis | 139.2 | 139.8 | 11.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 289 | C | 38.1 | Very low | 41.6 | Very low | 141 Ų | 141 | 129.6 Ų | 129.6 | 95% | 0.953 | 79% | 0.792 | S | S | * | * | | | trans | 111.1 | 145.3 | 161.7 | -144.7 | 0 | 0 | 0 | 0 | 119.6 | | |
| 290 | S | 39.2 | Very low | 42 | Very low | 112 Ų | 112 | 127.6 Ų | 127.6 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | | | trans | -103.6 | 177.7 | -145 | -73.4 | 0 | 0 | 0 | 0 | 115.6 | | |
| 291 | P | 44.9 | Very low | 42.3 | Very low | 123 Ų | 123 | 126.4 Ų | 126.4 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | | | trans | -104 | 177.2 | -167.9 | 39.5 | -31.1 | 0 | 0 | 0 | 115.6 | | |
| 292 | S | 31.6 | Very low | 42.8 | Very low | 109 Ų | 109 | 126.7 Ų | 126.7 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | | | trans | 106 | 123.4 | 157.8 | -165.8 | 0 | 0 | 0 | 0 | 118.2 | | |
| 293 | S | 43.6 | Very low | 43 | Very low | 125 Ų | 125 | 131 Ų | 131 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | | | trans | -167.2 | 139.4 | 138.8 | -79.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 294 | E | 42.5 | Very low | 43.2 | Very low | 174 Ų | 174 | 130.3 Ų | 130.3 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | | | trans | -74.2 | 161 | -171 | -61.5 | 168 | 88.2 | 0 | 0 | 115.9 | | |
| 295 | A | 43.1 | Very low | 43.3 | Very low | 107 Ų | 107 | 132.1 Ų | 132.1 | 88% | 0.884 | 81% | 0.813 | S | S | * | * | | | trans | -159.8 | 114.6 | 141.4 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 296 | L | 41.8 | Very low | 43.8 | Very low | 150 Ų | 150 | 130.5 Ų | 130.5 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | | | trans | -96.2 | -168.1 | 172.6 | -79.2 | 169.9 | 0 | 0 | 0 | 110.7 | | |
| 297 | P | 53.2 | Low | 44 | Very low | 106 Ų | 106 | 138.1 Ų | 138.1 | 69% | 0.688 | 82% | 0.819 | S | S | * | * | | | | -138.9 | 178.4 | -64.5 | 41.5 | -24.8 | 0 | 0 | 0 | 113.6 | | |
| 298 | R | 41.2 | Very low | 44.2 | Very low | 252 Ų | 252 | 134.7 Ų | 134.7 | 95% | 0.951 | 81% | 0.814 | S | S | * | * | | | trans | 164.3 | 143.8 | 151.5 | -99.5 | 171.4 | -176.3 | 174.5 | 2.7 | 109 | | |
| 299 | A | 47.1 | Very low | 44.3 | Very low | 94 Ų | 94 | 137.8 Ų | 137.8 | 78% | 0.777 | 81% | 0.812 | S | S | * | * | | | cis | -167.1 | 167.6 | -8.8 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 300 | P | 51.5 | Low | 44.5 | Very low | 117 Ų | 117 | 142 Ų | 142 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | | | trans | -108.9 | -161.6 | -151.7 | 41.1 | -33.6 | 0 | 0 | 0 | 116 | | |
| 301 | V | 51.6 | Low | 44.8 | Very low | 139 Ų | 139 | 141.4 Ų | 141.4 | 84% | 0.842 | 81% | 0.81 | S | S | * | * | | | trans | 109.8 | 143.8 | 160.8 | -90.6 | 0 | 0 | 0 | 0 | 120.9 | | |
| 302 | P | 48.7 | Very low | 44.7 | Very low | 110 Ų | 110 | 143.2 Ų | 143.2 | 71% | 0.714 | 81% | 0.813 | S | S | * | * | | | | -138.2 | -164.4 | -122.6 | 38.9 | -13.9 | 0 | 0 | 0 | 115.7 | | |
| 303 | R | 43.2 | Very low | 45.6 | Very low | 248 Ų | 248 | 143 Ų | 143 | 94% | 0.936 | 81% | 0.811 | S | S | * | * | | | trans | 112.4 | 132.7 | 168.9 | -69.7 | 173.7 | 167.8 | 163 | -3 | 112.3 | | |
| 304 | A | 41.6 | Very low | 45.8 | Very low | 95 Ų | 95 | 141 Ų | 141 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | | | cis | -147.9 | 134.8 | 18.1 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 305 | S | 44.1 | Very low | 46.2 | Very low | 108 Ų | 108 | 140.6 Ų | 140.6 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | | | | 67.8 | 106.6 | 70.9 | 179 | 0 | 0 | 0 | 0 | 116.1 | | |
| 306 | S | 46.5 | Very low | 46.5 | Very low | 106 Ų | 106 | 144.3 Ų | 144.3 | 74% | 0.741 | 81% | 0.813 | S | S | * | * | | | trans | 75.8 | 139.8 | 156.9 | 81.3 | 0 | 0 | 0 | 0 | 116.1 | | |
| 307 | R | 45.6 | Very low | 47.1 | Very low | 240 Ų | 240 | 141.1 Ų | 141.1 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | | | cis | -171.4 | 149.7 | 24.1 | -149.8 | 172.1 | -176.1 | 170.9 | -0.4 | 109.2 | | |
| 308 | A | 47.1 | Very low | 47 | Very low | 95 Ų | 95 | 142.2 Ų | 142.2 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | | | trans | 81 | 119.3 | 150.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 309 | N | 44.4 | Very low | 47.2 | Very low | 143 Ų | 143 | 141.1 Ų | 141.1 | 77% | 0.765 | 81% | 0.812 | S | S | * | * | | | trans | -77.8 | 170.3 | 171.8 | -64.7 | -58.7 | 0 | 0 | 0 | 113.7 | | |
| 310 | R | 41.8 | Very low | 47.1 | Very low | 229 Ų | 229 | 142.8 Ų | 142.8 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | | | trans | 91.8 | 101.6 | 157.8 | -59.6 | -173.7 | -177.2 | 100.4 | -1.1 | 114.5 | | |
| 311 | A | 45.1 | Very low | 46.5 | Very low | 99 Ų | 99 | 148.4 Ų | 148.4 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | | | | 77.8 | 105.6 | 79.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 312 | D | 43.9 | Very low | 46 | Very low | 162 Ų | 162 | 151.6 Ų | 151.6 | 87% | 0.866 | 82% | 0.823 | S | S | * | * | | | trans | -155.6 | 128.8 | 140.1 | -151.8 | 4.2 | 0 | 0 | 0 | 110.5 | | |
| 313 | S | 49.4 | Very low | 45.4 | Very low | 103 Ų | 103 | 158 Ų | 158 | 72% | 0.72 | 83% | 0.833 | S | S | * | * | | | trans | -84.2 | 122.1 | 178.4 | 43.4 | 0 | 0 | 0 | 0 | 109.1 | D315 | S313-D315 PolarHBondContact O-N 3.04Š|
| 314 | G | 49.5 | Very low | 44.8 | Very low | 85 Ų | 85 | 154.4 Ų | 154.4 | 88% | 0.876 | 83% | 0.827 | S | S | * | * | | | trans | -74.2 | 107.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | E316 | G314-E316 PolarHBondContact O-N 3.14Š|
| 315 | D | 49.1 | Very low | 44.4 | Very low | 165 Ų | 165 | 155.3 Ų | 155.3 | 88% | 0.882 | 83% | 0.825 | S | S | * | * | | | trans | -57.9 | 109.5 | 167.5 | -98.8 | -36.6 | 0 | 0 | 0 | 111.2 | S313 A317 | S313-D315 PolarHBondContact O-N 3.04Å; D315-A317 PolarHBondContact O-N 3.4Å |
| 316 | E | 50.5 | Low | 43.7 | Very low | 185 Ų | 185 | 157.1 Ų | 157.1 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | | | trans | -79.1 | 103.4 | 164 | -172.6 | 101.9 | -174 | 0 | 0 | 108.1 | G314 | G314-E316 PolarHBondContact O-N 3.14Š|
| 317 | A | 53.6 | Low | 42.8 | Very low | 83 Ų | 83 | 158 Ų | 158 | 69% | 0.686 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 130.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D315 R319 | D315-A317 PolarHBondContact O-N 3.4Å; A317-R319 PolarHBondContact O-N 3.01Å |
| 318 | P | 51.1 | Low | 42 | Very low | 129 Ų | 129 | 154.7 Ų | 154.7 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 122.2 | 177.7 | -12.9 | 26.1 | 0 | 0 | 0 | 110.4 | | |
| 319 | R | 47 | Very low | 41.1 | Very low | 229 Ų | 229 | 153.3 Ų | 153.3 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 139.7 | 172.5 | -63.3 | -165.5 | -167.9 | -144.8 | 5.1 | 110.4 | A317 R321 | A317-R319 PolarHBondContact O-N 3.01Å; R319-R321 PolarHBondContact O-N 3.21Å |
| 320 | P | 44.1 | Very low | 40.4 | Very low | 128 Ų | 128 | 154.5 Ų | 154.5 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | | | trans | -63.8 | 110.2 | -179.8 | 25.2 | -32.4 | 0 | 0 | 0 | 109.8 | K322 | P320-K322 PolarHBondContact O-N 2.98Š|
| 321 | R | 39.8 | Very low | 39.9 | Very low | 235 Ų | 235 | 147.8 Ų | 147.8 | 89% | 0.887 | 77% | 0.767 | S | S | * | * | | | trans | -62.6 | 118.9 | 168.7 | -68.7 | -176 | 178.3 | -177.2 | -0.4 | 107.5 | R319 R323 | R319-R321 PolarHBondContact O-N 3.21Å; R321-R323 PolarHBondContact O-N 3.14Å |
| 322 | K | 40.4 | Very low | 39.4 | Very low | 206 Ų | 206 | 150.3 Ų | 150.3 | 90% | 0.896 | 76% | 0.76 | S | S | * | * | | | trans | -49.9 | 113.2 | 169.5 | -75.1 | -177.3 | 175.9 | -178.9 | 0 | 108 | P320 Q324 | P320-K322 PolarHBondContact O-N 2.98Å; K322-Q324 PolarHBondContact O-N 3.49Å |
| 323 | R | 36.3 | Very low | 38.8 | Very low | 246 Ų | 246 | 147 Ų | 147 | 93% | 0.928 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 125.4 | 175.4 | -73 | -172.5 | 176 | -163.1 | -1 | 108.3 | R321 | R321-R323 PolarHBondContact O-N 3.14Š|
| 324 | Q | 30.8 | Very low | 38 | Very low | 172 Ų | 172 | 145.6 Ų | 145.6 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 141.9 | 168.7 | -70.6 | -85.2 | 0.2 | 0 | 0 | 108.7 | K322 E326 | K322-Q324 PolarHBondContact O-N 3.49Å; Q324-E326 PolarHBondContact O-N 3.16Å |
| 325 | P | 31.8 | Very low | 37.1 | Very low | 114 Ų | 114 | 151 Ų | 151 | 74% | 0.74 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -66 | 117.6 | 178.4 | 25.8 | -31.3 | 0 | 0 | 0 | 110.2 | T327 | P325-T327 PolarHBondContact O-N 3.46Š|
| 326 | E | 29.7 | Very low | 36.2 | Very low | 146 Ų | 146 | 150.7 Ų | 150.7 | 68% | 0.682 | 72% | 0.72 | S | S | * | * | | | trans | -77 | 105.1 | 168.4 | -78 | -177.9 | 179.8 | 0 | 0 | 109.1 | Q324 R328 | Q324-E326 PolarHBondContact O-N 3.16Å; E326-R328 PolarHBondContact O-N 3.19Å; E326-R328 IonicContact OE2-CZ 3.72Å; E326-R328 IonicContact OE2-NE 3.4Å; E326-R328 IonicContact OE2-NH2 3.97Å; E326-R328 PolarHBondContact OE2-NH2 3.47Å |
| 327 | T | 28.1 | Very low | 35.4 | Very low | 124 Ų | 124 | 152.7 Ų | 152.7 | 76% | 0.761 | 72% | 0.72 | S | S | * | * | | | trans | -71.1 | 109.1 | 169.6 | -54.9 | 0 | 0 | 0 | 0 | 109.5 | P325 V329 | P325-T327 PolarHBondContact O-N 3.46Å; T327-V329 HydrophobicContact CG2-CG2 4.49Å |
| 328 | R | 29.4 | Very low | 34.3 | Very low | 170 Ų | 170 | 155.4 Ų | 155.4 | 64% | 0.642 | 72% | 0.723 | S | S | * | * | | | trans | -95.8 | 113.8 | 174.1 | -67.9 | -176.7 | 175.8 | -174.7 | -1.8 | 110.4 | E326 Y330 | E326-R328 PolarHBondContact O-N 3.19Å; E326-R328 IonicContact OE2-CZ 3.72Å; E326-R328 IonicContact OE2-NE 3.4Å; E326-R328 IonicContact OE2-NH2 3.97Å; E326-R328 PolarHBondContact OE2-NH2 3.47Å; R328-Y330 HydrophobicContact CB-CE2 3.93Å |
| 329 | V | 26.9 | Very low | 33.4 | Very low | 66 Ų | 66 | 159.1 Ų | 159.1 | 40% | 0.4 | 73% | 0.726 | S | S | . | * | | | trans | -91 | 116.5 | 174 | -178 | 0 | 0 | 0 | 0 | 109.2 | T327 | T327-V329 HydrophobicContact CG2-CG2 4.49Š|
| 330 | Y | 30.7 | Very low | 32.7 | Very low | 168 Ų | 168 | 154.9 Ų | 154.9 | 66% | 0.659 | 72% | 0.721 | S | S | * | * | | | trans | -94.4 | 120.1 | 175 | -68.1 | -87.8 | 0 | 0 | 0 | 110.6 | R328 | R328-Y330 HydrophobicContact CB-CE2 3.93Š|
| 331 | I | 31.4 | Very low | 32.1 | Very low | 89 Ų | 89 | 160.2 Ų | 160.2 | 46% | 0.456 | 72% | 0.724 | S | S | . | * | | | trans | -95.3 | 111.3 | 174.8 | -58.6 | 175.3 | 0 | 0 | 0 | 108.8 | V333 L370 | I331-V333 HydrophobicContact CG2-CG2 4.31Å; I331-L370 HydrophobicContact CG2-CD1 3.54Å |
| 332 | F | 33.5 | Very low | 31.6 | Very low | 152 Ų | 152 | 156.1 Ų | 156.1 | 67% | 0.667 | 72% | 0.718 | S | S | * | * | | | trans | -89.7 | 120.2 | 172.5 | -81.2 | -90.3 | 0 | 0 | 0 | 110.9 | | |
| 333 | V | 31.8 | Very low | 31.1 | Very low | 92 Ų | 92 | 151.7 Ų | 151.7 | 56% | 0.558 | 71% | 0.711 | S | S | * | * | | | trans | -103.5 | 99.9 | 172.9 | -176.4 | 0 | 0 | 0 | 0 | 109.1 | I331 F368 | I331-V333 HydrophobicContact CG2-CG2 4.31Å; V333-F368 HydrophobicContact CG1-CD1 3.84Å; V333-F368 HydrophobicContact CG1-CE1 4.17Å |
| 334 | S | 32.1 | Very low | 30.5 | Very low | 74 Ų | 74 | 150.3 Ų | 150.3 | 52% | 0.517 | 71% | 0.712 | S | S | . | * | | | trans | -87.3 | 116.6 | 173.5 | -66.7 | 0 | 0 | 0 | 0 | 110.8 | F336 | S334-F336 PolarHBondContact O-N 2.86Š|
| 335 | R | 30.5 | Very low | 30.4 | Very low | 199 Ų | 199 | 152.9 Ų | 152.9 | 75% | 0.751 | 71% | 0.714 | S | S | * | * | | | trans | -74.8 | 114.8 | 169.1 | -82.8 | -177.9 | 178.7 | 168.2 | 0.5 | 109.8 | F368 | R335-F368 HydrophobicContact CG-CE1 3.88Š|
| 336 | F | 31 | Very low | 30.1 | Very low | 157 Ų | 157 | 153.3 Ų | 153.3 | 69% | 0.689 | 72% | 0.715 | S | S | * | * | | | trans | -89.1 | 109 | 164.5 | -81.1 | -87 | 0 | 0 | 0 | 110.1 | S334 | S334-F336 PolarHBondContact O-N 2.86Š|
| 337 | R | 33.1 | Very low | 30.2 | Very low | 228 Ų | 228 | 153.4 Ų | 153.4 | 86% | 0.86 | 73% | 0.725 | S | S | * | * | | | trans | -91.7 | 92.9 | 161 | -82.7 | -175 | 173.4 | -178.9 | -1.2 | 108.1 | | |
| 338 | N | 30.7 | Very low | 30 | Very low | 140 Ų | 140 | 158.7 Ų | 158.7 | 75% | 0.749 | 73% | 0.731 | S | S | * | * | | | trans | 179.6 | 86.1 | 153.1 | -104.8 | -37.7 | 0 | 0 | 0 | 112.7 | | |
| 339 | F | 33 | Very low | 29.8 | Very low | 207 Ų | 207 | 162.4 Ų | 162.4 | 91% | 0.908 | 75% | 0.745 | S | S | * | * | | | trans | -148.5 | 68.8 | 156.7 | -85.1 | -76.5 | 0 | 0 | 0 | 108.7 | | |
| 340 | N | 32.3 | Very low | 29.8 | Very low | 140 Ų | 140 | 164.1 Ų | 164.1 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | | | trans | -149.5 | 52.6 | 168.1 | -97.6 | -25.4 | 0 | 0 | 0 | 110.9 | | |
| 341 | R | 31 | Very low | 29.5 | Very low | 239 Ų | 239 | 161.1 Ų | 161.1 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | | | trans | -133.9 | 73.1 | 164.3 | -87.3 | -168.6 | 173.8 | -176.9 | -0.7 | 109.5 | | |
| 342 | I | 29.7 | Very low | 29.3 | Very low | 150 Ų | 150 | 161.7 Ų | 161.7 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | | | trans | -121.8 | 117.1 | 158.2 | -57.1 | 177.7 | 0 | 0 | 0 | 106 | F344 | I342-F344 PolarHBondContact O-N 3.32Š|
| 343 | P | 29.1 | Very low | 29 | Very low | 113 Ų | 113 | 165.4 Ų | 165.4 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | | | trans | -72.9 | 118.4 | 179.1 | 28 | -30.2 | 0 | 0 | 0 | 109.7 | R345 | P343-R345 PolarHBondContact O-N 3.22Š|
| 344 | F | 24.9 | Very low | 28.7 | Very low | 217 Ų | 217 | 164.5 Ų | 164.5 | 95% | 0.952 | 81% | 0.808 | S | S | * | * | | | trans | -65.1 | 101.7 | 167.7 | -80.6 | -89.9 | 0 | 0 | 0 | 109.1 | I342 | I342-F344 PolarHBondContact O-N 3.32Š|
| 345 | R | 28.5 | Very low | 28.4 | Very low | 226 Ų | 226 | 169.2 Ų | 169.2 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | | | trans | -119.2 | 110.7 | 162.4 | -88 | -171.3 | 174.3 | 177.4 | -1 | 109.4 | P343 | P343-R345 PolarHBondContact O-N 3.22Š|
| 346 | T | 26 | Very low | 28.2 | Very low | 123 Ų | 123 | 167.1 Ų | 167.1 | 76% | 0.755 | 82% | 0.821 | S | S | * | * | | | trans | 72.7 | 94.4 | 142.6 | -36.8 | 0 | 0 | 0 | 0 | 117.9 | | |
| 347 | V | 30.6 | Very low | 28 | Very low | 148 Ų | 148 | 166.1 Ų | 166.1 | 90% | 0.897 | 83% | 0.827 | S | S | * | * | | | trans | -138.1 | 93 | 138.6 | -174.2 | 0 | 0 | 0 | 0 | 108.3 | | |
| 348 | R | 24.7 | Very low | 27.7 | Very low | 235 Ų | 235 | 165.8 Ų | 165.8 | 89% | 0.887 | 83% | 0.826 | S | S | * | * | | | trans | -82 | 113.8 | 158.6 | -80.1 | -177.3 | 178.5 | 174.3 | -1 | 107.2 | | |
| 349 | R | 24.6 | Very low | 27.6 | Very low | 247 Ų | 247 | 166.4 Ų | 166.4 | 93% | 0.932 | 83% | 0.829 | S | S | * | * | | | trans | 173.9 | 150.4 | 135.9 | -114 | 177.4 | 177.2 | 166.9 | -0.6 | 111.6 | | |
| 350 | A | 26.7 | Very low | 27.4 | Very low | 102 Ų | 102 | 163.7 Ų | 163.7 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | | | trans | 85.5 | 66.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 351 | A | 24.5 | Very low | 27.5 | Very low | 106 Ų | 106 | 163.7 Ų | 163.7 | 88% | 0.876 | 83% | 0.829 | S | S | * | * | | | trans | -84.4 | 119.3 | 145.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 352 | S | 27.4 | Very low | 27.5 | Very low | 100 Ų | 100 | 158.3 Ų | 158.3 | 70% | 0.699 | 82% | 0.823 | S | S | * | * | | | trans | -170 | 131.7 | 151.2 | -151.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 353 | Y | 26.4 | Very low | 27.7 | Very low | 230 Ų | 230 | 156.3 Ų | 156.3 | 90% | 0.902 | 82% | 0.82 | S | S | * | * | | | trans | 70.6 | 98.8 | 170.8 | -75.8 | -88.5 | 0 | 0 | 0 | 118.9 | | |
| 354 | G | 25.4 | Very low | 27.9 | Very low | 73 Ų | 73 | 157.7 Ų | 157.7 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | | | | 94.9 | 111.6 | 114.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 355 | E | 26.5 | Very low | 28.3 | Very low | 173 Ų | 173 | 159.2 Ų | 159.2 | 81% | 0.808 | 82% | 0.82 | S | S | * | * | | | trans | 110.2 | 117.2 | 133.9 | -136.7 | 176.1 | 174.1 | 0 | 0 | 118.8 | | |
| 356 | Q | 25.4 | Very low | 28.7 | Very low | 155 Ų | 155 | 153.9 Ų | 153.9 | 72% | 0.724 | 81% | 0.808 | S | S | * | * | | | trans | 69.1 | 101.9 | 151.5 | -82.9 | 178.7 | 48.7 | 0 | 0 | 121.5 | R358 | Q356-R358 PolarHBondContact O-N 3.47Š|
| 357 | V | 27 | Very low | 29 | Very low | 136 Ų | 136 | 151 Ų | 151 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | | | trans | -36 | 116 | 151.3 | -180 | 0 | 0 | 0 | 0 | 113.1 | | |
| 358 | R | 28.3 | Very low | 28.9 | Very low | 221 Ų | 221 | 149.4 Ų | 149.4 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | | | trans | -145.1 | 137.3 | 148.1 | -77.5 | -163.6 | 175.4 | -177.7 | -1.5 | 110.8 | Q356 D360 | Q356-R358 PolarHBondContact O-N 3.47Å; R358-D360 PolarHBondContact O-N 3.05Å |
| 359 | N | 28.6 | Very low | 29.1 | Very low | 153 Ų | 153 | 148 Ų | 148 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | trans | -66.5 | 108.2 | -175.5 | -58.6 | -66.3 | 0 | 0 | 0 | 111.8 | | |
| 360 | D | 28.9 | Very low | 29.4 | Very low | 150 Ų | 150 | 141.4 Ų | 141.4 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | | | trans | -111.5 | 99 | 172 | -83.9 | -25.1 | 0 | 0 | 0 | 111.4 | R358 T362 | R358-D360 PolarHBondContact O-N 3.05Å; D360-T362 PolarHBondContact O-N 3.37Å |
| 361 | V | 32.8 | Very low | 29.7 | Very low | 140 Ų | 140 | 141.5 Ų | 141.5 | 85% | 0.848 | 75% | 0.751 | S | S | * | * | | | trans | -68.7 | 111.5 | 167.8 | 177.4 | 0 | 0 | 0 | 0 | 108.2 | P363 | V361-P363 WeakPolarHBondContact O-CD 3.37Š|
| 362 | T | 32.6 | Very low | 29.9 | Very low | 126 Ų | 126 | 140.5 Ų | 140.5 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 117.7 | 178.6 | -40.6 | 0 | 0 | 0 | 0 | 110.7 | D360 L364 | D360-T362 PolarHBondContact O-N 3.37Å; T362-L364 PolarHBondContact O-N 3.03Å |
| 363 | P | 33.5 | Very low | 30.1 | Very low | 108 Ų | 108 | 143.1 Ų | 143.1 | 70% | 0.701 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 120.5 | 174.5 | 30 | -29 | 0 | 0 | 0 | 110.8 | V361 R365 | V361-P363 WeakPolarHBondContact O-CD 3.37Å; P363-R365 PolarHBondContact O-N 3.29Å |
| 364 | L | 33 | Very low | 30.5 | Very low | 143 Ų | 143 | 139 Ų | 139 | 75% | 0.749 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 116.1 | 168.1 | -81.3 | 154.6 | 0 | 0 | 0 | 110.1 | T362 L366 | T362-L364 PolarHBondContact O-N 3.03Å; L364-L366 PolarHBondContact O-N 3.33Å |
| 365 | R | 33.3 | Very low | 30.8 | Very low | 249 Ų | 249 | 144.9 Ų | 144.9 | 94% | 0.94 | 73% | 0.731 | S | S | * | * | | | trans | -67.4 | 98.6 | 175.5 | -76.1 | -171.7 | 175.6 | -175.3 | -0.4 | 110.6 | P363 | P363-R365 PolarHBondContact O-N 3.29Š|
| 366 | L | 36 | Very low | 31 | Very low | 114 Ų | 114 | 143.5 Ų | 143.5 | 60% | 0.597 | 73% | 0.727 | S | S | * | * | | | trans | -86.8 | 109 | 167.1 | -139.8 | 78.3 | 0 | 0 | 0 | 108.7 | L364 F368 | L364-L366 PolarHBondContact O-N 3.33Å; L366-F368 HydrophobicContact CB-CE2 4.3Å; L366-F368 HydrophobicContact CD2-CE2 3.98Å; L366-F368 HydrophobicContact CD2-CZ 3.73Å |
| 367 | G | 31.9 | Very low | 31.3 | Very low | 62 Ų | 62 | 142.9 Ų | 142.9 | 64% | 0.639 | 73% | 0.727 | S | S | * | * | | | trans | -82.8 | 121.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 368 | F | 29.6 | Very low | 31.6 | Very low | 115 Ų | 115 | 143.3 Ų | 143.3 | 50% | 0.504 | 72% | 0.722 | S | S | . | * | | | trans | -102 | 139.4 | 167 | -64.1 | -89.8 | 0 | 0 | 0 | 109.1 | V333 R335 L366 | V333-F368 HydrophobicContact CG1-CD1 3.84Å; V333-F368 HydrophobicContact CG1-CE1 4.17Å; R335-F368 HydrophobicContact CG-CE1 3.88Å; L366-F368 HydrophobicContact CB-CE2 4.3Å; L366-F368 HydrophobicContact CD2-CE2 3.98Å; L366-F368 HydrophobicContact CD2-CZ 3.73Å |
| 369 | R | 29.8 | Very low | 31.8 | Very low | 204 Ų | 204 | 138.7 Ų | 138.7 | 77% | 0.77 | 72% | 0.715 | S | S | * | * | | | trans | -108.7 | 108.9 | 169.2 | -165.5 | 177.7 | -173.6 | -179.3 | 1.6 | 107.9 | V371 | R369-V371 HydrophobicContact CG-CG2 4.45Š|
| 370 | L | 29.5 | Very low | 32 | Very low | 110 Ų | 110 | 137.8 Ų | 137.8 | 58% | 0.576 | 71% | 0.709 | S | S | * | * | | | trans | -79.9 | 121.4 | 170.8 | -169.9 | 71.2 | 0 | 0 | 0 | 107.8 | I331 L372 | I331-L370 HydrophobicContact CG2-CD1 3.54Å; L370-L372 HydrophobicContact CD1-CD1 4.26Å; L370-L372 HydrophobicContact CD2-CD1 3.6Å; L370-L372 HydrophobicContact CG-CD1 3.77Å |
| 371 | V | 34.2 | Very low | 32.2 | Very low | 103 Ų | 103 | 137 Ų | 137 | 62% | 0.624 | 70% | 0.703 | S | S | * | * | | | trans | -111.4 | 101.8 | 169.9 | -179.5 | 0 | 0 | 0 | 0 | 106.3 | R369 | R369-V371 HydrophobicContact CG-CG2 4.45Š|
| 372 | L | 28.9 | Very low | 32.1 | Very low | 85 Ų | 85 | 136.8 Ų | 136.8 | 45% | 0.445 | 69% | 0.692 | S | S | . | * | | | trans | -82.6 | 124.5 | 165.9 | -108.5 | 81.6 | 0 | 0 | 0 | 108 | L370 | L370-L372 HydrophobicContact CD1-CD1 4.26Å; L370-L372 HydrophobicContact CD2-CD1 3.6Å; L370-L372 HydrophobicContact CG-CD1 3.77Å |
| 373 | R | 30.9 | Very low | 32.1 | Very low | 156 Ų | 156 | 137.6 Ų | 137.6 | 59% | 0.589 | 69% | 0.686 | S | S | * | * | | | trans | -110.2 | 120.4 | 161.1 | -174 | 179.2 | 180 | 133.6 | 6.2 | 106.5 | D375 | R373-D375 IonicContact NE-OD1 3.32Å; R373-D375 PolarHBondContact NE-OD1 3.39Å |
| 374 | I | 34.5 | Very low | 32 | Very low | 142 Ų | 142 | 140.1 Ų | 140.1 | 73% | 0.728 | 69% | 0.685 | S | S | * | * | | | trans | -97.6 | 123.5 | 169.8 | -55.1 | 174 | 0 | 0 | 0 | 104.4 | | |
| 375 | D | 32.2 | Very low | 31.9 | Very low | 198 Ų | 198 | 139.8 Ų | 139.8 | 100% | 1.059 | 68% | 0.679 | S | S | * | * | | | trans | -87.9 | 0 | 172.7 | -80.6 | -31.7 | 0 | 0 | 0 | 111.2 | R373 | R373-D375 IonicContact NE-OD1 3.32Å; R373-D375 PolarHBondContact NE-OD1 3.39Å |