| 1 | M | 36.2 | Very low | 47.9 | Very low | 233 Ų | 233 | 154.1 Ų | 154.1 | 100% | 1.148 | 81% | 0.814 | S | S | * | * | | | | 0 | 71.4 | 0 | -154.6 | 138.6 | -161.7 | 0 | 0 | 105.8 | | |
| 2 | E | 39.7 | Very low | 48.6 | Very low | 183 Ų | 183 | 154.3 Ų | 154.3 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | | | | 77.1 | 123.8 | 85.8 | -64.8 | -56.2 | 104.9 | 0 | 0 | 111.5 | | |
| 3 | A | 48.6 | Very low | 49.3 | Very low | 82 Ų | 82 | 151.7 Ų | 151.7 | 68% | 0.678 | 81% | 0.808 | S | S | * | * | | | trans | -67.8 | 160.8 | -170 | 0 | 0 | 0 | 0 | 0 | 114.1 | L5 | A3-L5 PolarHBondContact O-N 3.16Š|
| 4 | P | 45.7 | Very low | 49.5 | Very low | 131 Ų | 131 | 149.6 Ų | 149.6 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | | | trans | -81.4 | 103.9 | 164.6 | 30.4 | -27.1 | 0 | 0 | 0 | 110.2 | | |
| 5 | L | 58.8 | Low | 49 | Very low | 154 Ų | 154 | 150.9 Ų | 150.9 | 81% | 0.806 | 81% | 0.813 | S | S | * | * | | | trans | -79.2 | 116.6 | 160 | -73.7 | 175.9 | 0 | 0 | 0 | 108.9 | A3 | A3-L5 PolarHBondContact O-N 3.16Š|
| 6 | Q | 43.2 | Very low | 48.5 | Very low | 183 Ų | 183 | 144.6 Ų | 144.6 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | | | trans | -148.1 | 75.5 | 159.9 | -66.6 | -75.2 | 31.8 | 0 | 0 | 108 | E8 | Q6-E8 PolarHBondContact O-N 3.09Š|
| 7 | T | 49.3 | Very low | 48 | Very low | 123 Ų | 123 | 148.5 Ų | 148.5 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | | | trans | -89.2 | 92 | 163.6 | -58.9 | 0 | 0 | 0 | 0 | 106.8 | M9 | T7-M9 HydrophobicContact CG2-CG 4.38Å; T7-M9 PolarHBondContact O-N 3.02Å |
| 8 | E | 50.1 | Low | 47.1 | Very low | 167 Ų | 167 | 150.2 Ų | 150.2 | 78% | 0.78 | 80% | 0.804 | S | S | * | * | | | trans | -73.1 | 103.7 | 174.1 | -167.6 | -172.6 | 95.5 | 0 | 0 | 108.7 | Q6 V10 | Q6-E8 PolarHBondContact O-N 3.09Å; E8-V10 HydrophobicContact CG-CG2 3.73Å; E8-V10 WeakPolarHBondContact OE1-CG2 3.31Å |
| 9 | M | 45.4 | Very low | 46.8 | Very low | 173 Ų | 173 | 146.1 Ų | 146.1 | 85% | 0.852 | 79% | 0.788 | S | S | * | * | | | trans | -92.8 | 96.7 | 164.3 | -70.2 | -166.7 | -68.9 | 0 | 0 | 107.6 | T7 E11 | T7-M9 HydrophobicContact CG2-CG 4.38Å; T7-M9 PolarHBondContact O-N 3.02Å; M9-E11 PolarHBondContact O-N 2.79Å |
| 10 | V | 55.6 | Low | 46.4 | Very low | 95 Ų | 95 | 147.4 Ų | 147.4 | 58% | 0.576 | 79% | 0.789 | S | S | * | * | | | trans | -76.2 | 113.8 | 172.9 | -178 | 0 | 0 | 0 | 0 | 109 | E8 | E8-V10 HydrophobicContact CG-CG2 3.73Å; E8-V10 WeakPolarHBondContact OE1-CG2 3.31Å |
| 11 | E | 54 | Low | 45.8 | Very low | 171 Ų | 171 | 143.7 Ų | 143.7 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | | | trans | -65.6 | 123.6 | 174.6 | -174.1 | 179.1 | 121.6 | 0 | 0 | 110.4 | M9 | M9-E11 PolarHBondContact O-N 2.79Š|
| 12 | L | 56.4 | Low | 45.9 | Very low | 157 Ų | 157 | 140.9 Ų | 140.9 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | | | trans | -114.7 | 111.9 | 173.8 | -68.6 | 174.4 | 0 | 0 | 0 | 110.2 | | |
| 13 | V | 57.3 | Low | 45.9 | Very low | 120 Ų | 120 | 139.8 Ų | 139.8 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | | | trans | -65.2 | 138.2 | 171 | 168.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 14 | P | 53.2 | Low | 46 | Very low | 123 Ų | 123 | 140.9 Ų | 140.9 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | | | trans | -91.5 | 128.6 | 174.7 | 32.5 | -26.8 | 0 | 0 | 0 | 111.2 | | |
| 15 | N | 41.5 | Very low | 45.4 | Very low | 168 Ų | 168 | 141 Ų | 141 | 90% | 0.898 | 77% | 0.772 | S | S | * | * | | | trans | -121 | 143.8 | 167.9 | -163 | 17.8 | 0 | 0 | 0 | 111.5 | | |
| 16 | G | 41.3 | Very low | 44.9 | Very low | 51 Ų | 51 | 141 Ų | 141 | 53% | 0.526 | 77% | 0.771 | S | S | . | * | | | trans | -96.6 | 166.3 | -156.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 17 | K | 39.6 | Very low | 44.9 | Very low | 211 Ų | 211 | 138.5 Ų | 138.5 | 92% | 0.917 | 77% | 0.768 | S | S | * | * | | | trans | 55 | 120.9 | 149.7 | -17.7 | -71.9 | 178.2 | 167.4 | 0 | 119.7 | | |
| 18 | H | 32.5 | Very low | 44.9 | Very low | 179 Ų | 179 | 137.9 Ų | 137.9 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | | | | -158.9 | 141.1 | 129.4 | -163.7 | -94.9 | 0 | 0 | 0 | 110.7 | | |
| 19 | S | 40.8 | Very low | 44.1 | Very low | 72 Ų | 72 | 138.8 Ų | 138.8 | 50% | 0.503 | 77% | 0.773 | S | S | . | * | | | trans | -92.5 | 168.1 | -174 | 34.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 20 | E | 38.4 | Very low | 44.4 | Very low | 171 Ų | 171 | 135.2 Ų | 135.2 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | | | trans | 61 | 125.3 | 155.4 | 72.9 | -133.5 | 97.1 | 0 | 0 | 122 | | |
| 21 | G | 34.3 | Very low | 43.3 | Very low | 70 Ų | 70 | 134 Ų | 134 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | | | trans | 157.2 | 96.8 | 158.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 22 | L | 38.3 | Very low | 42.5 | Very low | 175 Ų | 175 | 133.5 Ų | 133.5 | 92% | 0.916 | 78% | 0.78 | S | S | * | * | | | trans | 65.7 | 124.7 | 150.4 | -91.9 | 71.7 | 0 | 0 | 0 | 121.9 | | |
| 23 | L | 39.8 | Very low | 42.1 | Very low | 159 Ų | 159 | 135.2 Ų | 135.2 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | | | trans | -63.2 | -176.9 | 169.9 | -75.6 | -103.4 | 0 | 0 | 0 | 112.9 | | |
| 24 | P | 50.2 | Low | 41.2 | Very low | 105 Ų | 105 | 140.7 Ų | 140.7 | 68% | 0.682 | 79% | 0.792 | S | S | * | * | | | cis | -135.3 | 140.4 | -34.7 | 31.2 | -13.6 | 0 | 0 | 0 | 111.9 | | |
| 25 | V | 34.2 | Very low | 40.9 | Very low | 135 Ų | 135 | 141.5 Ų | 141.5 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | trans | -165.3 | 118.3 | 155.7 | 119.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 26 | I | 48.1 | Very low | 40.5 | Very low | 153 Ų | 153 | 140.5 Ų | 140.5 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | | | trans | 19.6 | 105.9 | 149 | -28.3 | 173.8 | 0 | 0 | 0 | 117 | | |
| 27 | T | 43.7 | Very low | 40.5 | Very low | 130 Ų | 130 | 143.6 Ų | 143.6 | 80% | 0.798 | 79% | 0.788 | S | S | * | * | | | trans | -10.4 | 138.7 | 154.7 | -31.7 | 0 | 0 | 0 | 0 | 115 | | |
| 28 | P | 49.1 | Very low | 40.6 | Very low | 111 Ų | 111 | 138.2 Ų | 138.2 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | | | | -154.4 | 131.8 | 55.6 | 36.7 | -14.1 | 0 | 0 | 0 | 116.5 | | |
| 29 | M | 32.5 | Very low | 41.3 | Very low | 185 Ų | 185 | 133 Ų | 133 | 91% | 0.911 | 76% | 0.763 | S | S | * | * | | | trans | -143.3 | 117.4 | 167.7 | -84.3 | -72.3 | -74.7 | 0 | 0 | 111.8 | | |
| 30 | A | 51.5 | Low | 41.7 | Very low | 99 Ų | 99 | 140 Ų | 140 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | trans | -52.4 | 136.7 | 151.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 31 | G | 33 | Very low | 41.6 | Very low | 68 Ų | 68 | 136.8 Ų | 136.8 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | | | trans | -174.5 | 90.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 32 | N | 36.2 | Very low | 42.2 | Very low | 161 Ų | 161 | 139.1 Ų | 139.1 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | | | trans | 56 | 112.1 | 144.7 | -68 | 5 | 0 | 0 | 0 | 122.5 | | |
| 33 | Q | 48.6 | Very low | 42.5 | Very low | 194 Ų | 194 | 138.5 Ų | 138.5 | 91% | 0.907 | 77% | 0.773 | S | S | * | * | | | trans | 17.5 | 111.1 | 136.5 | -63.6 | -152.6 | 80.1 | 0 | 0 | 118.6 | | |
| 34 | R | 38.8 | Very low | 42.7 | Very low | 235 Ų | 235 | 140.2 Ų | 140.2 | 89% | 0.887 | 78% | 0.776 | S | S | * | * | | | trans | -144.5 | 130.9 | 133.7 | -158.5 | 174.3 | -174.6 | -149.3 | -0.1 | 107.4 | E36 | R34-E36 PolarHBondContact O-N 3.19Š|
| 35 | V | 47.2 | Very low | 43 | Very low | 139 Ų | 139 | 137.7 Ų | 137.7 | 84% | 0.842 | 77% | 0.77 | S | S | * | * | | | trans | -49 | 103 | 176.2 | 170.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 36 | E | 32.9 | Very low | 43.3 | Very low | 148 Ų | 148 | 140.5 Ų | 140.5 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | | | trans | -115.4 | 107.3 | 157.8 | -93.2 | -84.4 | 90.9 | 0 | 0 | 104.1 | R34 | R34-E36 PolarHBondContact O-N 3.19Š|
| 37 | D | 40 | Very low | 43.2 | Very low | 115 Ų | 115 | 137.3 Ų | 137.3 | 62% | 0.615 | 76% | 0.763 | S | S | * | * | | | trans | -23.9 | 125 | 153.1 | -166.7 | -83.5 | 0 | 0 | 0 | 110.6 | A39 | D37-A39 PolarHBondContact O-N 3Å; D37-A39 WeakPolarHBondContact OD1-CB 3.45Å; D37-A39 PolarHBondContact OD1-N 3.01Å |
| 38 | P | 42.3 | Very low | 43.3 | Very low | 99 Ų | 99 | 140.4 Ų | 140.4 | 64% | 0.643 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -77.2 | 63.4 | 179.9 | 31.1 | -32 | 0 | 0 | 0 | 109.9 | K65 | P38-K65 PolarHBondContact O-NZ 2.8Š|
| 39 | A | 47.3 | Very low | 43.6 | Very low | 68 Ų | 68 | 142.7 Ų | 142.7 | 56% | 0.562 | 77% | 0.77 | S | S | * | * | | | trans | -98.9 | 59.4 | 160.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | D37 | D37-A39 PolarHBondContact O-N 3Å; D37-A39 WeakPolarHBondContact OD1-CB 3.45Å; D37-A39 PolarHBondContact OD1-N 3.01Å |
| 40 | R | 48.8 | Very low | 44 | Very low | 220 Ų | 220 | 143.1 Ų | 143.1 | 83% | 0.83 | 77% | 0.77 | S | S | * | * | | | trans | -140.8 | 74.4 | 156.4 | -72.5 | -160.2 | -174.6 | 176.4 | 5.3 | 111.4 | | |
| 41 | S | 36.8 | Very low | 43.3 | Very low | 104 Ų | 104 | 147.6 Ų | 147.6 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | trans | -145.6 | 81.9 | 131 | -169.5 | 0 | 0 | 0 | 0 | 107.4 | M43 | S41-M43 VanDerWaalsContact C-N 3.26Å; S41-M43 PolarHBondContact O-N 3.43Å |
| 42 | C | 48.2 | Very low | 43.7 | Very low | 118 Ų | 118 | 149.5 Ų | 149.5 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | | | trans | -65.4 | 92.4 | 162.4 | -55.8 | 0 | 0 | 0 | 0 | 107.1 | E44 | C42-E44 VanDerWaalsContact C-N 3.35Š|
| 43 | M | 43.8 | Very low | 44.6 | Very low | 163 Ų | 163 | 148.1 Ų | 148.1 | 80% | 0.803 | 77% | 0.774 | S | S | * | * | | | trans | -95.6 | 82.8 | 151.7 | -83.1 | -174.6 | 108.9 | 0 | 0 | 106.9 | S41 | S41-M43 VanDerWaalsContact C-N 3.26Å; S41-M43 PolarHBondContact O-N 3.43Å |
| 44 | E | 44.8 | Very low | 44 | Very low | 194 Ų | 194 | 144.1 Ų | 144.1 | 91% | 0.907 | 77% | 0.767 | S | S | * | * | | | trans | -58.2 | 136.2 | 158.2 | -178.6 | 162.3 | -174.5 | 0 | 0 | 109.2 | C42 | C42-E44 VanDerWaalsContact C-N 3.35Š|
| 45 | G | 56.4 | Low | 44.5 | Very low | 53 Ų | 53 | 142.7 Ų | 142.7 | 55% | 0.546 | 77% | 0.767 | S | S | . | * | | | trans | 111.1 | 88.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 46 | K | 40.2 | Very low | 44.7 | Very low | 194 Ų | 194 | 144.2 Ų | 144.2 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | | | trans | -178.6 | 51.4 | 136 | -75.7 | 132.6 | -164.7 | -179.8 | 0 | 109.4 | | |
| 47 | S | 45.6 | Very low | 45.4 | Very low | 86 Ų | 86 | 142.8 Ų | 142.8 | 60% | 0.601 | 77% | 0.769 | S | S | * | * | | | trans | -65.7 | 157 | 138.6 | 53 | 0 | 0 | 0 | 0 | 105.9 | | |
| 48 | F | 45.4 | Very low | 46.1 | Very low | 194 Ų | 194 | 144.9 Ų | 144.9 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 85.7 | 87.1 | -174.8 | -40.6 | -68.5 | 0 | 0 | 0 | 114.3 | | |
| 49 | L | 56.4 | Low | 46.2 | Very low | 159 Ų | 159 | 149 Ų | 149 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | | | | 87 | 86.8 | 129.9 | -143.2 | 173.3 | 0 | 0 | 0 | 116.5 | | |
| 50 | Q | 39.4 | Very low | 46.4 | Very low | 195 Ų | 195 | 150.8 Ų | 150.8 | 91% | 0.911 | 79% | 0.787 | S | S | * | * | | | trans | -151.1 | 119.2 | 130.3 | -145.3 | 159.5 | -9.6 | 0 | 0 | 113.6 | | |
| 51 | K | 37.8 | Very low | 46.2 | Very low | 192 Ų | 192 | 146.8 Ų | 146.8 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | | | trans | -101.2 | 121.4 | 178 | 176.3 | 171.1 | -178.3 | 178.7 | 0 | 108 | | |
| 52 | S | 41.4 | Very low | 47.1 | Very low | 109 Ų | 109 | 150.3 Ų | 150.3 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | | | | 159.6 | 152.5 | 129.6 | 54.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 53 | P | 55.6 | Low | 47.1 | Very low | 131 Ų | 131 | 151.6 Ų | 151.6 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | | | trans | -103.7 | 121.6 | -169.9 | 35.3 | -23.9 | 0 | 0 | 0 | 112.1 | | |
| 54 | S | 36 | Very low | 47.7 | Very low | 111 Ų | 111 | 148.3 Ų | 148.3 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | | | trans | -142.5 | 101.1 | 166.9 | 60 | 0 | 0 | 0 | 0 | 111.1 | | |
| 55 | K | 48.9 | Very low | 48.4 | Very low | 204 Ų | 204 | 146.2 Ų | 146.2 | 89% | 0.887 | 78% | 0.775 | S | S | * | * | | | trans | -12.9 | 113.4 | 161.6 | -57.4 | 164.8 | -173.4 | 160.8 | 0 | 115.4 | | |
| 56 | E | 51.6 | Low | 48.7 | Very low | 172 Ų | 172 | 147.2 Ų | 147.2 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | -147.5 | 148.8 | 151.9 | -76.9 | -58.6 | 150.6 | 0 | 0 | 106 | H58 | E56-H58 PolarHBondContact O-N 3.09Å; E56-H58 VanDerWaalsContact O-N 3.16Å |
| 57 | P | 47.4 | Very low | 50.3 | Low | 118 Ų | 118 | 142.1 Ų | 142.1 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | | | trans | -61.4 | 118.9 | -153 | 24.4 | -33.3 | 0 | 0 | 0 | 112.8 | F59 | P57-F59 PolarHBondContact O-N 2.78Å; P57-F59 VanDerWaalsContact O-N 3.09Å |
| 58 | H | 53.6 | Low | 51.5 | Low | 159 Ų | 159 | 146.4 Ų | 146.4 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | | | trans | -68.1 | 92.4 | 173.2 | 174.9 | 79 | 0 | 0 | 0 | 110.7 | E56 | E56-H58 PolarHBondContact O-N 3.09Å; E56-H58 VanDerWaalsContact O-N 3.16Å |
| 59 | F | 45.5 | Very low | 52.9 | Low | 184 Ų | 184 | 138.3 Ų | 138.3 | 81% | 0.807 | 74% | 0.739 | S | S | * | * | | | trans | -173.9 | 84.8 | 152.9 | -160.4 | -99 | 0 | 0 | 0 | 106 | P57 | P57-F59 PolarHBondContact O-N 2.78Å; P57-F59 VanDerWaalsContact O-N 3.09Å |
| 60 | T | 50.8 | Low | 53.7 | Low | 107 Ų | 107 | 136.8 Ų | 136.8 | 66% | 0.656 | 73% | 0.729 | S | S | * | * | | | | -152.6 | 97.6 | 69.3 | 47.6 | 0 | 0 | 0 | 0 | 109.6 | F62 | T60-F62 PolarHBondContact O-N 2.98Š|
| 61 | D | 45.8 | Very low | 55.4 | Low | 135 Ų | 135 | 130.8 Ų | 130.8 | 72% | 0.722 | 71% | 0.708 | S | S | * | * | | | trans | -76.2 | 39.2 | 160.9 | -158.6 | -5.1 | 0 | 0 | 0 | 110.3 | | |
| 62 | F | 53.9 | Low | 57.4 | Low | 178 Ų | 178 | 124.9 Ų | 124.9 | 78% | 0.781 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -125.8 | 119.3 | 169.7 | -102.2 | -90.9 | 0 | 0 | 0 | 108 | T60 | T60-F62 PolarHBondContact O-N 2.98Š|
| 63 | E | 49.3 | Very low | 59.3 | Low | 145 Ų | 145 | 126.9 Ų | 126.9 | 68% | 0.678 | 68% | 0.684 | S | S | * | * | | | trans | 86.3 | 62.9 | 142.2 | -150.4 | 170.8 | -169.8 | 0 | 0 | 116.7 | K65 | E63-K65 HydrophobicContact CG-CB 4.4Å; E63-K65 PolarHBondContact O-N 3.04Å |
| 64 | G | 57.1 | Low | 60.1 | Low | 95 Ų | 95 | 126.1 Ų | 126.1 | 98% | 0.979 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | 65 | 152.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 65 | K | 59.2 | Low | 62.3 | Low | 149 Ų | 149 | 125.6 Ų | 125.6 | 65% | 0.648 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.1 | -10.5 | 169.1 | -154.1 | 159.8 | -179.5 | 163.2 | 0 | 115.3 | P38 E63 | P38-K65 PolarHBondContact O-NZ 2.8Å; E63-K65 HydrophobicContact CG-CB 4.4Å; E63-K65 PolarHBondContact O-N 3.04Å |
| 66 | T | 63 | Low | 63.8 | Low | 75 Ų | 75 | 118.2 Ų | 118.2 | 46% | 0.46 | 64% | 0.635 | S | S | . | * | S | Bend | trans | -142.7 | 110.4 | 171.3 | 169.9 | 0 | 0 | 0 | 0 | 109.7 | M70 | T66-M70 WeakPolarHBondContact OG1-CB 3.42Å; T66-M70 WeakPolarHBondContact OG1-CG 3.38Å |
| 67 | S | 72.4 | Confident | 65.1 | Low | 86 Ų | 86 | 115.4 Ų | 115.4 | 60% | 0.601 | 63% | 0.625 | S | S | * | * | | | trans | -59.8 | 154 | 179.6 | 164.1 | 0 | 0 | 0 | 0 | 111.2 | G69 M70 S71 | S67-G69 CarbonylContact O-C 3.55Å; S67-G69 PolarHBondContact O-N 2.87Å; S67-G69 PolarHBondContact OG-N 3.19Å; S67-M70 WeakPolarHBondContact O-CA 3.49Å; S67-M70 PolarHBondContact O-N 2.91Å; S67-S71 PolarHBondContact O-N 3.39Å; S67-S71 VanDerWaalsContact O-N 3.09Å |
| 68 | F | 70.4 | Confident | 66.5 | Low | 176 Ų | 176 | 113 Ų | 113 | 77% | 0.772 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -44.5 | -36.2 | 167.9 | 178.2 | -101.8 | 0 | 0 | 0 | 112.1 | S71 V72 | F68-S71 PolarHBondContact O-N 2.82Å; F68-V72 HydrophobicContact CD1-CG2 4.27Å; F68-V72 HydrophobicContact CE1-CG2 3.9Å; F68-V72 HydrophobicContact CE2-CG2 4.2Å; F68-V72 HydrophobicContact CZ-CG2 3.86Å; F68-V72 VanDerWaalsContact O-CG2 3.31Å; F68-V72 WeakPolarHBondContact O-CG2 3.43Å; F68-V72 PolarHBondContact O-N 3.35Å |
| 69 | G | 75.1 | Confident | 67.7 | Low | 24 Ų | 24 | 109.8 Ų | 109.8 | 25% | 0.247 | 60% | 0.602 | C | S | . | * | H | α-helix | trans | -59.5 | -50.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S67 S71 V72 F73 | S67-G69 CarbonylContact O-C 3.55Å; S67-G69 PolarHBondContact O-N 2.87Å; S67-G69 PolarHBondContact OG-N 3.19Å; G69-S71 VanDerWaalsContact C-N 3.28Å; G69-S71 PolarHBondContact O-N 3.34Å; G69-V72 PolarHBondContact O-N 3.41Å; G69-F73 VanDerWaalsContact C-CD2 3.41Å; G69-F73 WeakPolarHBondContact O-CB 3.26Å; G69-F73 WeakPolarHBondContact O-CD2 3.31Å; G69-F73 WeakPolarHBondContact O-CG 3.36Å; G69-F73 PolarHBondContact O-N 3.07Å |
| 70 | M | 74.3 | Confident | 69.2 | Low | 127 Ų | 127 | 107.7 Ų | 107.7 | 63% | 0.626 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66.7 | -29 | -178.4 | -168.7 | 154.6 | -165.9 | 0 | 0 | 112.7 | T66 S67 N74 | T66-M70 WeakPolarHBondContact OG1-CB 3.42Å; T66-M70 WeakPolarHBondContact OG1-CG 3.38Å; S67-M70 WeakPolarHBondContact O-CA 3.49Å; S67-M70 PolarHBondContact O-N 2.91Å; M70-N74 VanDerWaalsContact O-CB 3.26Å; M70-N74 WeakPolarHBondContact O-CB 3.35Å; M70-N74 PolarHBondContact O-N 2.96Å |
| 71 | S | 73.9 | Confident | 70.5 | Confident | 69 Ų | 69 | 104.4 Ų | 104.4 | 48% | 0.483 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -68.1 | -46.9 | 169.4 | -179.8 | 0 | 0 | 0 | 0 | 112.8 | S67 F68 G69 N74 L75 | S67-S71 PolarHBondContact O-N 3.39Å; S67-S71 VanDerWaalsContact O-N 3.09Å; F68-S71 PolarHBondContact O-N 2.82Å; G69-S71 VanDerWaalsContact C-N 3.28Å; G69-S71 PolarHBondContact O-N 3.34Å; S71-N74 PolarHBondContact O-N 3.44Å; S71-L75 VanDerWaalsContact O-CB 3.31Å; S71-L75 WeakPolarHBondContact O-CB 2.85Å; S71-L75 PolarHBondContact O-N 3.36Å |
| 72 | V | 80.2 | Confident | 71.8 | Confident | 69 Ų | 69 | 103.1 Ų | 103.1 | 42% | 0.418 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.9 | -37.7 | 176.5 | 174 | 0 | 0 | 0 | 0 | 111.4 | F68 G69 S76 | F68-V72 HydrophobicContact CD1-CG2 4.27Å; F68-V72 HydrophobicContact CE1-CG2 3.9Å; F68-V72 HydrophobicContact CE2-CG2 4.2Å; F68-V72 HydrophobicContact CZ-CG2 3.86Å; F68-V72 VanDerWaalsContact O-CG2 3.31Å; F68-V72 WeakPolarHBondContact O-CG2 3.43Å; F68-V72 PolarHBondContact O-N 3.35Å; G69-V72 PolarHBondContact O-N 3.41Å; V72-S76 WeakPolarHBondContact O-CB 3.36Å; V72-S76 PolarHBondContact O-N 3.43Å; V72-S76 PolarHBondContact O-OG 3.35Å |
| 73 | F | 80.9 | Confident | 73 | Confident | 150 Ų | 150 | 96.3 Ų | 96.3 | 66% | 0.658 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67.2 | -44.4 | 174.8 | -73.4 | -60.8 | 0 | 0 | 0 | 112.2 | G69 L75 S76 N77 | G69-F73 VanDerWaalsContact C-CD2 3.41Å; G69-F73 WeakPolarHBondContact O-CB 3.26Å; G69-F73 WeakPolarHBondContact O-CD2 3.31Å; G69-F73 WeakPolarHBondContact O-CG 3.36Å; G69-F73 PolarHBondContact O-N 3.07Å; F73-L75 VanDerWaalsContact C-N 3.34Å; F73-L75 PolarHBondContact O-N 3.33Å; F73-S76 WeakPolarHBondContact CA-OG 3.47Å; F73-S76 PolarHBondContact O-N 3.12Å; F73-S76 PolarHBondContact O-OG 3.15Å; F73-N77 PolarHBondContact O-N 2.65Å; F73-N77 VanDerWaalsContact O-N 3.15Å |
| 74 | N | 73.6 | Confident | 74.6 | Confident | 115 Ų | 115 | 93.8 Ų | 93.8 | 62% | 0.615 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.1 | -41.5 | 176.2 | -167.7 | 8.5 | 0 | 0 | 0 | 111.4 | M70 S71 S76 N77 A78 | M70-N74 VanDerWaalsContact O-CB 3.26Å; M70-N74 WeakPolarHBondContact O-CB 3.35Å; M70-N74 PolarHBondContact O-N 2.96Å; S71-N74 PolarHBondContact O-N 3.44Å; N74-S76 VanDerWaalsContact C-N 3.33Å; N74-S76 PolarHBondContact O-N 3.49Å; N74-N77 PolarHBondContact O-N 2.92Å; N74-A78 PolarHBondContact O-N 3.44Å |
| 75 | L | 81.3 | Confident | 75.8 | Confident | 100 Ų | 100 | 95.5 Ų | 95.5 | 52% | 0.524 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.5 | -41 | 173.5 | -179.2 | 60.8 | 0 | 0 | 0 | 111.8 | S71 F73 N77 A78 I79 | S71-L75 VanDerWaalsContact O-CB 3.31Å; S71-L75 WeakPolarHBondContact O-CB 2.85Å; S71-L75 PolarHBondContact O-N 3.36Å; F73-L75 VanDerWaalsContact C-N 3.34Å; F73-L75 PolarHBondContact O-N 3.33Å; L75-N77 VanDerWaalsContact C-N 3.26Å; L75-N77 PolarHBondContact O-N 2.89Å; L75-A78 WeakPolarHBondContact O-CB 3.32Å; L75-A78 PolarHBondContact O-N 2.85Å; L75-A78 VanDerWaalsContact O-N 3.12Å; L75-I79 HydrophobicContact CD1-CD1 3.8Å; L75-I79 HydrophobicContact CD1-CG1 4Å; L75-I79 HydrophobicContact CD2-CD1 4.24Å; L75-I79 HydrophobicContact CG-CD1 3.65Å; L75-I79 HydrophobicContact CG-CG1 4.25Å; L75-I79 WeakPolarHBondContact O-CB 3.34Å; L75-I79 VanDerWaalsContact O-CG1 3.3Å; L75-I79 WeakPolarHBondContact O-CG1 3.3Å; L75-I79 PolarHBondContact O-N 3.33Å |
| 76 | S | 81.4 | Confident | 76.9 | Confident | 50 Ų | 50 | 90.4 Ų | 90.4 | 35% | 0.35 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.8 | -33.3 | 178.2 | 66.4 | 0 | 0 | 0 | 0 | 112.6 | V72 F73 N74 M80 | V72-S76 WeakPolarHBondContact O-CB 3.36Å; V72-S76 PolarHBondContact O-N 3.43Å; V72-S76 PolarHBondContact O-OG 3.35Å; F73-S76 WeakPolarHBondContact CA-OG 3.47Å; F73-S76 PolarHBondContact O-N 3.12Å; F73-S76 PolarHBondContact O-OG 3.15Å; N74-S76 VanDerWaalsContact C-N 3.33Å; N74-S76 PolarHBondContact O-N 3.49Å; S76-M80 WeakPolarHBondContact O-CB 3.4Å; S76-M80 PolarHBondContact O-N 3.24Å |
| 77 | N | 77.1 | Confident | 77.8 | Confident | 113 Ų | 113 | 90 Ų | 90 | 60% | 0.604 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -72.3 | -38.6 | 172.6 | -166.2 | 29.2 | 0 | 0 | 0 | 112.2 | F73 N74 L75 I79 M80 | F73-N77 PolarHBondContact O-N 2.65Å; F73-N77 VanDerWaalsContact O-N 3.15Å; N74-N77 PolarHBondContact O-N 2.92Å; L75-N77 VanDerWaalsContact C-N 3.26Å; L75-N77 PolarHBondContact O-N 2.89Å; N77-I79 VanDerWaalsContact C-N 3.31Å; N77-I79 PolarHBondContact O-N 3.23Å; N77-M80 PolarHBondContact O-N 2.72Å |
| 78 | A | 78.1 | Confident | 78.4 | Confident | 66 Ų | 66 | 88.1 Ų | 88.1 | 55% | 0.545 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64 | -35.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | N74 L75 | N74-A78 PolarHBondContact O-N 3.44Å; L75-A78 WeakPolarHBondContact O-CB 3.32Å; L75-A78 PolarHBondContact O-N 2.85Å; L75-A78 VanDerWaalsContact O-N 3.12Å |
| 79 | I | 79.3 | Confident | 79.2 | Confident | 93 Ų | 93 | 87.6 Ų | 87.6 | 48% | 0.477 | 51% | 0.51 | S | S | . | . | I | π-helix | trans | -80.1 | -36.1 | 178.6 | -67.1 | 173.1 | 0 | 0 | 0 | 111.8 | L75 N77 G81 | L75-I79 HydrophobicContact CD1-CD1 3.8Å; L75-I79 HydrophobicContact CD1-CG1 4Å; L75-I79 HydrophobicContact CD2-CD1 4.24Å; L75-I79 HydrophobicContact CG-CD1 3.65Å; L75-I79 HydrophobicContact CG-CG1 4.25Å; L75-I79 WeakPolarHBondContact O-CB 3.34Å; L75-I79 VanDerWaalsContact O-CG1 3.3Å; L75-I79 WeakPolarHBondContact O-CG1 3.3Å; L75-I79 PolarHBondContact O-N 3.33Å; N77-I79 VanDerWaalsContact C-N 3.31Å; N77-I79 PolarHBondContact O-N 3.23Å; I79-G81 PolarHBondContact O-N 3.48Å; I79-G81 VanDerWaalsContact O-N 3.15Å |
| 80 | M | 76.8 | Confident | 79.6 | Confident | 139 Ų | 139 | 88.1 Ų | 88.1 | 69% | 0.685 | 51% | 0.513 | S | S | * | . | I | π-helix | trans | -62.4 | -20.2 | -179.3 | -171.5 | 175 | -57.5 | 0 | 0 | 113.2 | S76 N77 | S76-M80 WeakPolarHBondContact O-CB 3.4Å; S76-M80 PolarHBondContact O-N 3.24Å; N77-M80 PolarHBondContact O-N 2.72Å |
| 81 | G | 77.9 | Confident | 80 | Confident | 39 Ų | 39 | 85 Ų | 85 | 40% | 0.402 | 50% | 0.497 | S | S | . | . | I | π-helix | trans | -77.5 | -125.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114 | I79 G83 | I79-G81 PolarHBondContact O-N 3.48Å; I79-G81 VanDerWaalsContact O-N 3.15Å; G81-G83 PolarHBondContact O-N 2.97Å; G81-G83 VanDerWaalsContact O-N 3.13Å |
| 82 | S | 72.9 | Confident | 80.4 | Confident | 107 Ų | 107 | 85.9 Ų | 85.9 | 75% | 0.748 | 51% | 0.509 | S | S | * | . | I | π-helix | trans | -65.9 | -16 | -170.4 | 54.1 | 0 | 0 | 0 | 0 | 114.9 | G86 | S82-G86 PolarHBondContact O-N 2.97Å |
| 83 | G | 79.8 | Confident | 80.4 | Confident | 36 Ų | 36 | 87.9 Ų | 87.9 | 37% | 0.371 | 52% | 0.517 | S | S | . | . | I | π-helix | trans | -63 | -52.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | G81 L87 | G81-G83 PolarHBondContact O-N 2.97Å; G81-G83 VanDerWaalsContact O-N 3.13Å; G83-L87 WeakPolarHBondContact O-CB 3.47Å; G83-L87 PolarHBondContact O-N 2.93Å |
| 84 | I | 82.7 | Confident | 80.5 | Confident | 91 Ų | 91 | 84.5 Ų | 84.5 | 47% | 0.467 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -70.6 | -39.1 | -175.9 | -172.1 | 62.8 | 0 | 0 | 0 | 112.7 | A88 | I84-A88 VanDerWaalsContact O-CB 3.25Å; I84-A88 WeakPolarHBondContact O-CB 3.48Å; I84-A88 PolarHBondContact O-N 2.9Å |
| 85 | L | 82.3 | Confident | 80.8 | Confident | 132 Ų | 132 | 80.4 Ų | 80.4 | 69% | 0.691 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -70.8 | -42.1 | 176.8 | -93.1 | 66.1 | 0 | 0 | 0 | 112 | A88 Y89 | L85-A88 PolarHBondContact O-N 2.93Å; L85-Y89 PolarHBondContact O-N 3.44Å |
| 86 | G | 82.3 | Confident | 80.7 | Confident | 41 Ų | 41 | 80.2 Ų | 80.2 | 42% | 0.423 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67 | -38.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S82 Y89 A90 | S82-G86 PolarHBondContact O-N 2.97Å; G86-Y89 PolarHBondContact O-N 3.48Å; G86-A90 PolarHBondContact O-N 3.13Å |
| 87 | L | 82.1 | Confident | 80.4 | Confident | 66 Ų | 66 | 82.6 Ų | 82.6 | 35% | 0.346 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.5 | -42.8 | 174.5 | -176.4 | 61.6 | 0 | 0 | 0 | 111.8 | G83 Y89 A90 M91 F99 | G83-L87 WeakPolarHBondContact O-CB 3.47Å; G83-L87 PolarHBondContact O-N 2.93Å; L87-Y89 VanDerWaalsContact C-N 3.3Å; L87-Y89 PolarHBondContact O-N 3.3Å; L87-A90 PolarHBondContact O-N 3.44Å; L87-M91 HydrophobicContact CG-CE 4.18Å; L87-M91 WeakPolarHBondContact O-CG 3.14Å; L87-M91 PolarHBondContact O-N 3.15Å; L87-F99 HydrophobicContact CD1-CD1 4.36Å; L87-F99 HydrophobicContact CD1-CE1 3.43Å; L87-F99 VanDerWaalsContact CD1-CE1 3.43Å; L87-F99 HydrophobicContact CD1-CE2 3.79Å; L87-F99 HydrophobicContact CD1-CZ 3.09Å |
| 88 | A | 83.8 | Confident | 80 | Confident | 48 Ų | 48 | 81.5 Ų | 81.5 | 40% | 0.397 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.6 | -40.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I84 L85 M91 A92 | I84-A88 VanDerWaalsContact O-CB 3.25Å; I84-A88 WeakPolarHBondContact O-CB 3.48Å; I84-A88 PolarHBondContact O-N 2.9Å; L85-A88 PolarHBondContact O-N 2.93Å; A88-M91 PolarHBondContact O-N 3.45Å; A88-A92 WeakPolarHBondContact O-CB 3.17Å; A88-A92 PolarHBondContact O-N 3.02Å |
| 89 | Y | 87.1 | Confident | 79.6 | Confident | 164 Ų | 164 | 83.5 Ų | 83.5 | 64% | 0.643 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.3 | -43.7 | 175.8 | -178.8 | -98.8 | 0 | 0 | 0 | 112.5 | L85 G86 L87 A92 N93 | L85-Y89 PolarHBondContact O-N 3.44Å; G86-Y89 PolarHBondContact O-N 3.48Å; L87-Y89 VanDerWaalsContact C-N 3.3Å; L87-Y89 PolarHBondContact O-N 3.3Å; Y89-A92 PolarHBondContact O-N 3.48Å; Y89-N93 VanDerWaalsContact CZ-ND2 3.34Å; Y89-N93 PolarHBondContact O-N 2.86Å; Y89-N93 PolarHBondContact OH-ND2 3.17Å |
| 90 | A | 83.8 | Confident | 79.5 | Confident | 36 Ų | 36 | 84.8 Ų | 84.8 | 30% | 0.298 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.2 | -47.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | G86 L87 A92 N93 T94 | G86-A90 PolarHBondContact O-N 3.13Å; L87-A90 PolarHBondContact O-N 3.44Å; A90-A92 VanDerWaalsContact C-N 3.32Å; A90-A92 PolarHBondContact O-N 2.89Å; A90-N93 PolarHBondContact O-N 3.18Å; A90-T94 PolarHBondContact O-N 3.37Å; A90-T94 PolarHBondContact O-OG1 3.39Å |
| 91 | M | 83.4 | Confident | 79.7 | Confident | 60 Ų | 60 | 83.7 Ų | 83.7 | 30% | 0.296 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.2 | -34.9 | 177.8 | -70.6 | -169.9 | -61.1 | 0 | 0 | 113.2 | L87 A88 N93 G95 I96 F99 | L87-M91 HydrophobicContact CG-CE 4.18Å; L87-M91 WeakPolarHBondContact O-CG 3.14Å; L87-M91 PolarHBondContact O-N 3.15Å; A88-M91 PolarHBondContact O-N 3.45Å; M91-N93 VanDerWaalsContact C-N 3.34Å; M91-G95 CarbonylContact O-C 3.57Å; M91-G95 WeakPolarHBondContact O-CA 3.37Å; M91-G95 PolarHBondContact O-N 2.96Å; M91-I96 HydrophobicContact SD-CD1 3.91Å; M91-F99 HydrophobicContact CG-CD2 3.92Å; M91-F99 HydrophobicContact CG-CE2 4.24Å; M91-F99 HydrophobicContact CG-CG 4.4Å |
| 92 | A | 81.9 | Confident | 79.4 | Confident | 88 Ų | 88 | 86.7 Ų | 86.7 | 73% | 0.727 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -68.3 | -33.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A88 Y89 A90 | A88-A92 WeakPolarHBondContact O-CB 3.17Å; A88-A92 PolarHBondContact O-N 3.02Å; Y89-A92 PolarHBondContact O-N 3.48Å; A90-A92 VanDerWaalsContact C-N 3.32Å; A90-A92 PolarHBondContact O-N 2.89Å |
| 93 | N | 80.8 | Confident | 79.2 | Confident | 112 Ų | 112 | 88 Ų | 88 | 60% | 0.599 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -90.2 | -36.3 | -178.1 | -107.3 | -51.3 | 0 | 0 | 0 | 114 | Y89 A90 M91 | Y89-N93 VanDerWaalsContact CZ-ND2 3.34Å; Y89-N93 PolarHBondContact O-N 2.86Å; Y89-N93 PolarHBondContact OH-ND2 3.17Å; A90-N93 PolarHBondContact O-N 3.18Å; M91-N93 VanDerWaalsContact C-N 3.34Å |
| 94 | T | 81.6 | Confident | 78.3 | Confident | 78 Ų | 78 | 94.5 Ų | 94.5 | 48% | 0.479 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -102.5 | -11.2 | -176.9 | 69.4 | 0 | 0 | 0 | 0 | 113.6 | A90 | A90-T94 PolarHBondContact O-N 3.37Å; A90-T94 PolarHBondContact O-OG1 3.39Å |
| 95 | G | 79.9 | Confident | 78.1 | Confident | 30 Ų | 30 | 94.7 Ų | 94.7 | 31% | 0.309 | 54% | 0.539 | S | S | . | . | | | trans | 78.6 | 161.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | M91 I97 | M91-G95 CarbonylContact O-C 3.57Å; M91-G95 WeakPolarHBondContact O-CA 3.37Å; M91-G95 PolarHBondContact O-N 2.96Å; G95-I97 PolarHBondContact O-N 3.38Å |
| 96 | I | 80.1 | Confident | 77.9 | Confident | 95 Ų | 95 | 92.7 Ų | 92.7 | 49% | 0.487 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -18.5 | -180 | -161.8 | 97.4 | 0 | 0 | 0 | 113.1 | M91 L98 F99 L100 | M91-I96 HydrophobicContact SD-CD1 3.91Å; I96-L98 PolarHBondContact O-N 3.38Å; I96-F99 PolarHBondContact O-N 3.3Å; I96-F99 VanDerWaalsContact O-N 3.07Å; I96-L100 HydrophobicContact CB-CD1 4.49Å; I96-L100 HydrophobicContact CG1-CD1 3.63Å; I96-L100 HydrophobicContact CG1-CG 3.8Å; I96-L100 HydrophobicContact CG2-CD1 4.19Å; I96-L100 PolarHBondContact O-N 3.02Å |
| 97 | I | 75.3 | Confident | 77.6 | Confident | 100 Ų | 100 | 95.6 Ų | 95.6 | 51% | 0.513 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | -173.5 | -61.9 | -74.9 | 0 | 0 | 0 | 111.7 | G95 F99 L100 H101 L104 | G95-I97 PolarHBondContact O-N 3.38Å; I97-F99 PolarHBondContact O-N 3.02Å; I97-L100 PolarHBondContact O-N 2.92Å; I97-H101 WeakPolarHBondContact O-CA 3.02Å; I97-H101 WeakPolarHBondContact O-CB 3.25Å; I97-H101 PolarHBondContact O-N 3.46Å; I97-L104 HydrophobicContact CG2-CD2 4.29Å |
| 98 | L | 68.8 | Low | 77.3 | Confident | 91 Ų | 91 | 97.3 Ų | 97.3 | 48% | 0.476 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -69.3 | -22.6 | 177.2 | -62.7 | -178.4 | 0 | 0 | 0 | 113 | I96 P102 | I96-L98 PolarHBondContact O-N 3.38Å; L98-P102 WeakPolarHBondContact O-CA 3.35Å |
| 99 | F | 69.7 | Low | 76.9 | Confident | 108 Ų | 108 | 100.4 Ų | 100.4 | 47% | 0.474 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -85.2 | -36.1 | 176.8 | -101.8 | -84.2 | 0 | 0 | 0 | 112.7 | L87 M91 I96 I97 | L87-F99 HydrophobicContact CD1-CD1 4.36Å; L87-F99 HydrophobicContact CD1-CE1 3.43Å; L87-F99 VanDerWaalsContact CD1-CE1 3.43Å; L87-F99 HydrophobicContact CD1-CE2 3.79Å; L87-F99 HydrophobicContact CD1-CZ 3.09Å; M91-F99 HydrophobicContact CG-CD2 3.92Å; M91-F99 HydrophobicContact CG-CE2 4.24Å; M91-F99 HydrophobicContact CG-CG 4.4Å; I96-F99 PolarHBondContact O-N 3.3Å; I96-F99 VanDerWaalsContact O-N 3.07Å; I97-F99 PolarHBondContact O-N 3.02Å |
| 100 | L | 77.2 | Confident | 76.3 | Confident | 119 Ų | 119 | 96.1 Ų | 96.1 | 62% | 0.623 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -82.4 | -36.6 | 177.3 | -69.5 | 175.3 | 0 | 0 | 0 | 112.1 | I96 I97 P102 | I96-L100 HydrophobicContact CB-CD1 4.49Å; I96-L100 HydrophobicContact CG1-CD1 3.63Å; I96-L100 HydrophobicContact CG1-CG 3.8Å; I96-L100 HydrophobicContact CG2-CD1 4.19Å; I96-L100 PolarHBondContact O-N 3.02Å; I97-L100 PolarHBondContact O-N 2.92Å; L100-P102 VanDerWaalsContact C-CD 3.44Å; L100-P102 WeakPolarHBondContact O-CD 3.11Å |
| 101 | H | 79.7 | Confident | 75.7 | Confident | 117 Ų | 117 | 100.4 Ų | 100.4 | 54% | 0.542 | 57% | 0.571 | S | S | . | * | | | trans | -121.3 | 75.1 | 177.1 | -66.9 | 176.7 | 0 | 0 | 0 | 110.3 | I97 C103 L104 | I97-H101 WeakPolarHBondContact O-CA 3.02Å; I97-H101 WeakPolarHBondContact O-CB 3.25Å; I97-H101 PolarHBondContact O-N 3.46Å; H101-C103 PolarHBondContact O-N 3.21Å; H101-L104 HydrophobicContact CB-CB 4.17Å; H101-L104 PolarHBondContact O-N 3.35Å |
| 102 | P | 72.8 | Confident | 75.1 | Confident | 102 Ų | 102 | 103.5 Ų | 103.5 | 66% | 0.662 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -7.2 | -178.3 | 24.9 | -33.7 | 0 | 0 | 0 | 114.9 | L98 L100 | L98-P102 WeakPolarHBondContact O-CA 3.35Å; L100-P102 VanDerWaalsContact C-CD 3.44Å; L100-P102 WeakPolarHBondContact O-CD 3.11Å |
| 103 | C | 68.8 | Low | 74.6 | Confident | 133 Ų | 133 | 104.8 Ų | 104.8 | 90% | 0.899 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.8 | 13.6 | -177.1 | -60.3 | 0 | 0 | 0 | 0 | 114.2 | H101 | H101-C103 PolarHBondContact O-N 3.21Š|
| 104 | L | 60.3 | Low | 74 | Confident | 173 Ų | 173 | 104.2 Ų | 104.2 | 91% | 0.906 | 58% | 0.579 | S | S | * | * | | | trans | -92.6 | 0 | 178.1 | -172.1 | 75.1 | 0 | 0 | 0 | 111 | I97 H101 | I97-L104 HydrophobicContact CG2-CD2 4.29Å; H101-L104 HydrophobicContact CB-CB 4.17Å; H101-L104 PolarHBondContact O-N 3.35Å |