| 1 | M | 41 | Very low | 51.2 | Low | 240 Ų | 240 | 169.2 Ų | 169.2 | 100% | 1.182 | 86% | 0.858 | S | S | * | * | | | | 0 | 127.6 | 0 | -68.9 | -179.7 | 174.8 | 0 | 0 | 106.9 | | |
| 2 | Q | 49.4 | Very low | 51.4 | Low | 193 Ų | 193 | 169.4 Ų | 169.4 | 90% | 0.902 | 85% | 0.853 | S | S | * | * | | | trans | -69 | 136.9 | 170.5 | -75.5 | 174.1 | -19.8 | 0 | 0 | 108.2 | | |
| 3 | I | 47.7 | Very low | 52.1 | Low | 167 Ų | 167 | 170.2 Ų | 170.2 | 86% | 0.856 | 85% | 0.848 | S | S | * | * | | | trans | -110.8 | 113.1 | 165.9 | 54.3 | 174.2 | 0 | 0 | 0 | 107.4 | | |
| 4 | S | 55.4 | Low | 52.1 | Low | 114 Ų | 114 | 175.2 Ų | 175.2 | 80% | 0.797 | 85% | 0.852 | S | S | * | * | | | trans | -84.2 | 129.5 | 166.8 | -64.4 | 0 | 0 | 0 | 0 | 108 | | |
| 5 | E | 58.3 | Low | 52.6 | Low | 200 Ų | 200 | 176.3 Ų | 176.3 | 94% | 0.935 | 86% | 0.855 | S | S | * | * | | | trans | -66.9 | 127.9 | 170.1 | -140.8 | 176.1 | 145.7 | 0 | 0 | 108.9 | | |
| 6 | K | 56.7 | Low | 52.4 | Low | 188 Ų | 188 | 174.5 Ų | 174.5 | 82% | 0.817 | 85% | 0.851 | S | S | * | * | | | trans | -136.6 | 131.5 | 162 | -163.3 | 169 | 176.3 | 59 | 0 | 108.6 | | |
| 7 | E | 53.1 | Low | 53.3 | Low | 164 Ų | 164 | 171.4 Ų | 171.4 | 77% | 0.766 | 85% | 0.847 | S | S | * | * | | | trans | -47.2 | 155.1 | -172.7 | -75.3 | 149.4 | 123.2 | 0 | 0 | 116.1 | | |
| 8 | D | 53.2 | Low | 52.7 | Low | 160 Ų | 160 | 164.6 Ų | 164.6 | 86% | 0.856 | 83% | 0.829 | S | S | * | * | | | trans | -11.2 | 125.6 | 154.6 | -68.2 | -55.8 | 0 | 0 | 0 | 115.7 | | |
| 9 | D | 46.8 | Very low | 52.7 | Low | 161 Ų | 161 | 164.1 Ų | 164.1 | 86% | 0.861 | 83% | 0.828 | S | S | * | * | | | trans | -138.6 | 121.3 | 145.5 | -137.5 | -8.3 | 0 | 0 | 0 | 109.5 | N11 | D9-N11 PolarHBondContact O-N 2.67Š|
| 10 | D | 54.3 | Low | 53.2 | Low | 150 Ų | 150 | 162.8 Ų | 162.8 | 80% | 0.802 | 82% | 0.824 | S | S | * | * | | | trans | -65.9 | 101.5 | -176.1 | -153.1 | -7.5 | 0 | 0 | 0 | 108.7 | | |
| 11 | N | 47.3 | Very low | 52.9 | Low | 124 Ų | 124 | 166 Ų | 166 | 66% | 0.663 | 83% | 0.826 | S | S | * | * | | | trans | -123.1 | 72.6 | 168.8 | 177.4 | 11.3 | 0 | 0 | 0 | 109 | D9 K13 | D9-N11 PolarHBondContact O-N 2.67Å; N11-K13 VanDerWaalsContact C-N 3.28Å; N11-K13 PolarHBondContact O-N 3.01Å; N11-K13 PolarHBondContact OD1-N 3.07Å |
| 12 | E | 54.1 | Low | 54.2 | Low | 172 Ų | 172 | 161.7 Ų | 161.7 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | | | trans | -55.8 | 95.8 | 148.2 | -162.9 | 169.4 | -135 | 0 | 0 | 107.5 | | |
| 13 | K | 59.6 | Low | 54.4 | Low | 180 Ų | 180 | 160.2 Ų | 160.2 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | | | trans | 172.4 | 94.2 | 146.8 | -67.7 | -123.7 | -176.9 | -168.6 | 0 | 110.4 | N11 | N11-K13 VanDerWaalsContact C-N 3.28Å; N11-K13 PolarHBondContact O-N 3.01Å; N11-K13 PolarHBondContact OD1-N 3.07Å |
| 14 | R | 53.2 | Low | 54.1 | Low | 240 Ų | 240 | 155.5 Ų | 155.5 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | | | trans | -139.5 | 117.3 | 149.5 | -80.7 | -161.9 | -178.2 | -174.5 | 1.7 | 110.2 | | |
| 15 | E | 58.8 | Low | 53.6 | Low | 192 Ų | 192 | 154.1 Ų | 154.1 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | | | trans | -45.6 | 131.9 | 160.9 | -74.9 | 168.7 | 116.8 | 0 | 0 | 110 | P17 | E15-P17 WeakPolarHBondContact O-CD 3.46Š|
| 16 | D | 49.3 | Very low | 53.1 | Low | 147 Ų | 147 | 148.1 Ų | 148.1 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | | | trans | -80.5 | 121.5 | 166.6 | -172.5 | 27 | 0 | 0 | 0 | 109.1 | | |
| 17 | P | 67.8 | Low | 52.6 | Low | 121 Ų | 121 | 143.4 Ų | 143.4 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | | | trans | -93.8 | 105.9 | 168.9 | 33.5 | -21.7 | 0 | 0 | 0 | 109 | E15 | E15-P17 WeakPolarHBondContact O-CD 3.46Š|
| 18 | G | 43.6 | Very low | 53 | Low | 50 Ų | 50 | 141.6 Ų | 141.6 | 52% | 0.515 | 80% | 0.795 | S | S | . | * | | | trans | 176.2 | 89.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 19 | D | 51.2 | Low | 53.5 | Low | 154 Ų | 154 | 137.5 Ų | 137.5 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | | | | 78.5 | 98.8 | 99.4 | -77.1 | -23.3 | 0 | 0 | 0 | 113.9 | | |
| 20 | N | 62.7 | Low | 53.5 | Low | 139 Ų | 139 | 133.4 Ų | 133.4 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | | | | 41.7 | 99.7 | 120.4 | -170.6 | 48.7 | 0 | 0 | 0 | 117 | | |
| 21 | W | 48.5 | Very low | 53.3 | Low | 229 Ų | 229 | 135 Ų | 135 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | | | trans | -129.8 | 104.6 | 142.9 | 67 | -69.6 | 0 | 0 | 0 | 109 | | |
| 22 | E | 67.9 | Low | 53.8 | Low | 150 Ų | 150 | 138.3 Ų | 138.3 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | | | trans | -58.2 | 150.8 | 163.7 | -167.4 | -178.5 | 125.1 | 0 | 0 | 110.3 | | |
| 23 | E | 53.3 | Low | 53.7 | Low | 163 Ų | 163 | 134 Ų | 134 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | | | trans | 74.5 | 124.8 | 158.4 | -132.1 | 172.4 | 179.7 | 0 | 0 | 116.7 | | |
| 24 | G | 41.5 | Very low | 53.5 | Low | 68 Ų | 68 | 130.4 Ų | 130.4 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | | | cis | 165.7 | 171.6 | 7.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 25 | G | 45.4 | Very low | 54.1 | Low | 85 Ų | 85 | 120.4 Ų | 120.4 | 88% | 0.876 | 75% | 0.748 | S | S | * | * | | | trans | 91.1 | 112.9 | 151.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 26 | G | 47.6 | Very low | 54.4 | Low | 74 Ų | 74 | 116.7 Ų | 116.7 | 76% | 0.763 | 74% | 0.741 | S | S | * | * | | | trans | 117.4 | 57.8 | 137 | 0 | 0 | 0 | 0 | 0 | 115.8 | S28 | G26-S28 PolarHBondContact O-N 2.71Å; G26-S28 VanDerWaalsContact O-N 3.15Å |
| 27 | G | 46.1 | Very low | 55.1 | Low | 89 Ų | 89 | 120.9 Ų | 120.9 | 92% | 0.918 | 75% | 0.746 | S | S | * | * | | | trans | -54 | 117.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 28 | S | 60.4 | Low | 55 | Low | 126 Ų | 126 | 119.5 Ų | 119.5 | 88% | 0.881 | 73% | 0.732 | S | S | * | * | | | trans | -104.7 | 112.1 | 174.6 | -166.8 | 0 | 0 | 0 | 0 | 110 | G26 | G26-S28 PolarHBondContact O-N 2.71Å; G26-S28 VanDerWaalsContact O-N 3.15Å |
| 29 | G | 64.4 | Low | 55.8 | Low | 74 Ų | 74 | 126.3 Ų | 126.3 | 76% | 0.763 | 75% | 0.747 | S | S | * | * | | | trans | 92.1 | 82.2 | 136.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 30 | A | 45.8 | Very low | 56.3 | Low | 74 Ų | 74 | 125.1 Ų | 125.1 | 61% | 0.612 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -145.3 | 111.1 | 142.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 31 | E | 51.1 | Low | 56 | Low | 183 Ų | 183 | 122.6 Ų | 122.6 | 86% | 0.855 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 66.2 | 77.3 | 153.8 | -47.7 | -179.7 | 137.1 | 0 | 0 | 115.2 | S33 | E31-S33 PolarHBondContact O-N 2.92Å; E31-S33 VanDerWaalsContact O-N 3.14Å |
| 32 | K | 57.2 | Low | 56.1 | Low | 194 Ų | 194 | 117.6 Ų | 117.6 | 84% | 0.843 | 74% | 0.741 | S | S | * | * | | | trans | 35.8 | 68.8 | 164.7 | -51.4 | 174.5 | -179.6 | -178.1 | 0 | 112 | S34 | K32-S34 VanDerWaalsContact C-N 3.29Å; K32-S34 PolarHBondContact O-N 2.68Å |
| 33 | S | 53.5 | Low | 55.4 | Low | 81 Ų | 81 | 117.3 Ų | 117.3 | 57% | 0.566 | 75% | 0.749 | S | S | * | * | | | trans | -54 | 95.6 | -178.6 | -39.4 | 0 | 0 | 0 | 0 | 108.6 | E31 G35 N38 | E31-S33 PolarHBondContact O-N 2.92Å; E31-S33 VanDerWaalsContact O-N 3.14Å; S33-G35 PolarHBondContact O-N 2.87Å; S33-N38 WeakPolarHBondContact O-CB 3.22Å; S33-N38 PolarHBondContact O-ND2 3.26Å |
| 34 | S | 55.4 | Low | 55.1 | Low | 105 Ų | 105 | 118 Ų | 118 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | | | trans | -76.9 | 58.2 | 176.1 | -178.4 | 0 | 0 | 0 | 0 | 107.6 | K32 | K32-S34 VanDerWaalsContact C-N 3.29Å; K32-S34 PolarHBondContact O-N 2.68Å |
| 35 | G | 64.9 | Low | 55.7 | Low | 31 Ų | 31 | 118.4 Ų | 118.4 | 32% | 0.32 | 75% | 0.75 | S | S | . | * | S | Bend | trans | -62.5 | 166.2 | 152.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | S33 W37 N38 | S33-G35 PolarHBondContact O-N 2.87Å; G35-W37 PolarHBondContact O-N 3.36Å; G35-N38 PolarHBondContact O-N 3.17Å |
| 36 | P | 65.4 | Low | 55.7 | Low | 114 Ų | 114 | 120.2 Ų | 120.2 | 74% | 0.74 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.1 | -12.2 | -179.4 | 20.6 | -31.5 | 0 | 0 | 0 | 114.4 | | |
| 37 | W | 63.3 | Low | 55.8 | Low | 235 Ų | 235 | 122.3 Ų | 122.3 | 89% | 0.89 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | -12.2 | 180 | -59.3 | 104 | 0 | 0 | 0 | 115.4 | G35 | G35-W37 PolarHBondContact O-N 3.36Š|
| 38 | N | 66.1 | Low | 56.3 | Low | 92 Ų | 92 | 122.1 Ų | 122.1 | 49% | 0.492 | 74% | 0.736 | S | S | . | * | | | trans | -116.8 | 84.8 | 177 | -67.3 | -48.6 | 0 | 0 | 0 | 110.8 | S33 G35 T40 | S33-N38 WeakPolarHBondContact O-CB 3.22Å; S33-N38 PolarHBondContact O-ND2 3.26Å; G35-N38 PolarHBondContact O-N 3.17Å; N38-T40 PolarHBondContact O-N 3.3Å |
| 39 | K | 60.4 | Low | 55.8 | Low | 193 Ų | 193 | 122.2 Ų | 122.2 | 84% | 0.839 | 73% | 0.734 | S | S | * | * | | | trans | -87.2 | 100.4 | 173.8 | -72.2 | -176.7 | 177 | -179.6 | 0 | 110.6 | | |
| 40 | T | 61.6 | Low | 55.1 | Low | 128 Ų | 128 | 125 Ų | 125 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | | | trans | -130.4 | 94 | 149.8 | -11.6 | 0 | 0 | 0 | 0 | 108 | N38 | N38-T40 PolarHBondContact O-N 3.3Š|
| 41 | A | 55.7 | Low | 55.3 | Low | 87 Ų | 87 | 127.7 Ų | 127.7 | 72% | 0.719 | 74% | 0.744 | S | S | * | * | | | trans | -75.1 | 127.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109 | V43 | A41-V43 PolarHBondContact O-N 2.83Š|
| 42 | P | 51.8 | Low | 55.1 | Low | 123 Ų | 123 | 125 Ų | 125 | 80% | 0.799 | 74% | 0.74 | S | S | * | * | | | trans | -66.6 | 121.2 | 155.6 | -10.3 | 26.6 | 0 | 0 | 0 | 107.3 | Q44 | P42-Q44 PolarHBondContact O-N 3.3Š|
| 43 | V | 52.8 | Low | 54.9 | Low | 145 Ų | 145 | 122 Ų | 122 | 88% | 0.879 | 74% | 0.738 | S | S | * | * | | | trans | -61.4 | 98.4 | 170.5 | 172.6 | 0 | 0 | 0 | 0 | 107.7 | A41 | A41-V43 PolarHBondContact O-N 2.83Š|
| 44 | Q | 47.6 | Very low | 54.7 | Low | 176 Ų | 176 | 126.1 Ų | 126.1 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -85 | 123.1 | 167.6 | -170.6 | 174.7 | 5.4 | 0 | 0 | 107.9 | P42 | P42-Q44 PolarHBondContact O-N 3.3Š|
| 45 | A | 53.2 | Low | 54.4 | Low | 78 Ų | 78 | 127 Ų | 127 | 65% | 0.645 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 142.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 46 | P | 45.9 | Very low | 53.8 | Low | 123 Ų | 123 | 130.5 Ų | 130.5 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 130.2 | -171.9 | 25.6 | -32.7 | 0 | 0 | 0 | 111.9 | | |
| 47 | P | 50.1 | Low | 53.5 | Low | 117 Ų | 117 | 133.4 Ų | 133.4 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 145.2 | 163.7 | 29.5 | -30.5 | 0 | 0 | 0 | 110.9 | | |
| 48 | A | 56.6 | Low | 53.1 | Low | 86 Ų | 86 | 127.5 Ų | 127.5 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -58 | 147.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V50 | A48-V50 PolarHBondContact O-N 3.35Š|
| 49 | P | 48.8 | Very low | 52.5 | Low | 128 Ų | 128 | 127 Ų | 127 | 83% | 0.831 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 120.5 | -172.1 | 27.3 | -33.4 | 0 | 0 | 0 | 112 | | |
| 50 | V | 49 | Very low | 52.2 | Low | 132 Ų | 132 | 125.7 Ų | 125.7 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | | | trans | -92.2 | 111.4 | 162.3 | -179.1 | 0 | 0 | 0 | 0 | 107.2 | A48 V52 | A48-V50 PolarHBondContact O-N 3.35Å; V50-V52 PolarHBondContact O-N 3.07Å; V50-V52 VanDerWaalsContact O-N 3.12Å |
| 51 | T | 51.5 | Low | 52 | Low | 131 Ų | 131 | 125.4 Ų | 125.4 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | trans | -63.7 | 104.9 | 175.1 | 40.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 52 | V | 45.7 | Very low | 52.1 | Low | 125 Ų | 125 | 126.1 Ų | 126.1 | 76% | 0.758 | 77% | 0.77 | S | S | * | * | | | trans | -102 | 108.5 | 157.5 | 178.5 | 0 | 0 | 0 | 0 | 106.6 | V50 E54 | V50-V52 PolarHBondContact O-N 3.07Å; V50-V52 VanDerWaalsContact O-N 3.12Å; V52-E54 VanDerWaalsContact C-N 3.34Å; V52-E54 PolarHBondContact O-N 3Å |
| 53 | T | 52.9 | Low | 52.8 | Low | 131 Ų | 131 | 124.2 Ų | 124.2 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | | | trans | -69.1 | 90.8 | 171.8 | -62.7 | 0 | 0 | 0 | 0 | 108.8 | | |
| 54 | E | 50.2 | Low | 53.9 | Low | 169 Ų | 169 | 123 Ų | 123 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | | | trans | -97.2 | 116.9 | 153.2 | -174.5 | 176.8 | -177.4 | 0 | 0 | 105.9 | V52 P56 | V52-E54 VanDerWaalsContact C-N 3.34Å; V52-E54 PolarHBondContact O-N 3Å; E54-P56 WeakPolarHBondContact O-CD 3.29Å; E54-P56 VanDerWaalsContact O-N 3.13Å |
| 55 | T | 49.3 | Very low | 55.5 | Low | 123 Ų | 123 | 122.5 Ų | 122.5 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | | | trans | -64.8 | 108.7 | 174.8 | -53.5 | 0 | 0 | 0 | 0 | 108 | E57 | T55-E57 PolarHBondContact O-N 2.98Š|
| 56 | P | 51.6 | Low | 57.1 | Low | 105 Ų | 105 | 125 Ų | 125 | 68% | 0.682 | 75% | 0.75 | S | S | * | * | | | trans | -80.1 | 117.6 | 172.4 | 27.3 | -15.9 | 0 | 0 | 0 | 106.9 | E54 P58 | E54-P56 WeakPolarHBondContact O-CD 3.29Å; E54-P56 VanDerWaalsContact O-N 3.13Å; P56-P58 WeakPolarHBondContact O-CD 3.42Å |
| 57 | E | 58.5 | Low | 58.9 | Low | 174 Ų | 174 | 122.2 Ų | 122.2 | 81% | 0.813 | 73% | 0.732 | S | S | * | * | | | trans | -55.5 | 122.6 | 162.5 | -174.1 | -178.3 | 166 | 0 | 0 | 107.7 | T55 A59 | T55-E57 PolarHBondContact O-N 2.98Å; E57-A59 PolarHBondContact O-N 3.43Å |
| 58 | P | 56.5 | Low | 60.2 | Low | 111 Ų | 111 | 120.8 Ų | 120.8 | 72% | 0.721 | 72% | 0.723 | S | S | * | * | | | trans | -80.4 | 76.6 | -175.9 | 33.2 | -32.7 | 0 | 0 | 0 | 108.5 | P56 M60 | P56-P58 WeakPolarHBondContact O-CD 3.42Å; P58-M60 PolarHBondContact O-N 3.34Å |
| 59 | A | 52.8 | Low | 61.2 | Low | 82 Ų | 82 | 120.9 Ų | 120.9 | 68% | 0.678 | 73% | 0.732 | S | S | * | * | | | trans | -74.4 | 84.6 | 159 | 0 | 0 | 0 | 0 | 0 | 106.4 | E57 P61 | E57-A59 PolarHBondContact O-N 3.43Å; A59-P61 VanDerWaalsContact O-CD 3.22Å; A59-P61 WeakPolarHBondContact O-CD 3.39Å |
| 60 | M | 54.8 | Low | 62.7 | Low | 166 Ų | 166 | 116.9 Ų | 116.9 | 82% | 0.818 | 71% | 0.71 | S | S | * | * | | | trans | -40.1 | 114.1 | 166.9 | -68.7 | -113 | -65.7 | 0 | 0 | 107.2 | P58 S62 | P58-M60 PolarHBondContact O-N 3.34Å; M60-S62 PolarHBondContact O-N 3.08Å |
| 61 | P | 55.7 | Low | 64.2 | Low | 121 Ų | 121 | 116.9 Ų | 116.9 | 79% | 0.786 | 70% | 0.695 | S | S | * | * | | | trans | -69.4 | 90.9 | 172.2 | 27.6 | -29.9 | 0 | 0 | 0 | 104.8 | A59 G63 | A59-P61 VanDerWaalsContact O-CD 3.22Å; A59-P61 WeakPolarHBondContact O-CD 3.39Å; P61-G63 WeakPolarHBondContact O-CA 3.46Å; P61-G63 PolarHBondContact O-N 3.12Å |
| 62 | S | 59.6 | Low | 65.3 | Low | 102 Ų | 102 | 117 Ų | 117 | 71% | 0.713 | 69% | 0.69 | S | S | * | * | | | trans | -37.2 | 117.4 | 165.2 | 164.1 | 0 | 0 | 0 | 0 | 106.6 | M60 V64 | M60-S62 PolarHBondContact O-N 3.08Å; S62-V64 PolarHBondContact O-N 2.93Å |
| 63 | G | 64.7 | Low | 66.3 | Low | 83 Ų | 83 | 116.9 Ų | 116.9 | 86% | 0.856 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -66.7 | 50.6 | -153.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | P61 | P61-G63 WeakPolarHBondContact O-CA 3.46Å; P61-G63 PolarHBondContact O-N 3.12Å |
| 64 | V | 77.8 | Confident | 66.7 | Low | 121 Ų | 121 | 116.9 Ų | 116.9 | 73% | 0.733 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -126.9 | 117.8 | 176 | -173.8 | 0 | 0 | 0 | 0 | 107.2 | S62 R66 | S62-V64 PolarHBondContact O-N 2.93Å; V64-R66 PolarHBondContact O-N 3.31Å; V64-R66 VanDerWaalsContact O-N 3.07Å |
| 65 | Y | 81.1 | Confident | 66.7 | Low | 164 Ų | 164 | 114.4 Ų | 114.4 | 64% | 0.643 | 69% | 0.686 | S | S | * | * | | | trans | -55.1 | 118.1 | 173.1 | 172.1 | -100 | 0 | 0 | 0 | 109.2 | P67 | Y65-P67 HydrophobicContact CE1-CB 4.16Å; Y65-P67 WeakPolarHBondContact O-CD 3.49Å |
| 66 | R | 85.1 | Confident | 66.9 | Low | 130 Ų | 130 | 116.4 Ų | 116.4 | 49% | 0.491 | 68% | 0.68 | S | S | . | * | | | trans | -88.6 | 112.3 | 174.7 | -161.8 | 167.9 | -154.5 | 171.5 | 4.2 | 108.2 | V64 A70 R71 L72 | V64-R66 PolarHBondContact O-N 3.31Å; V64-R66 VanDerWaalsContact O-N 3.07Å; R66-A70 VanDerWaalsContact CD-O 3.29Å; R66-A70 WeakPolarHBondContact CD-O 3.09Å; R66-A70 HydrophobicContact CG-CB 3.75Å; R66-A70 VanDerWaalsContact CZ-O 3.29Å; R66-A70 PolarHBondContact NE-O 2.94Å; R66-R71 HydrophobicContact CB-CG 4.29Å; R66-R71 HydrophobicContact CG-CG 4.2Å; R66-R71 PolarHBondContact O-NE 3.3Å; R66-R71 VanDerWaalsContact O-NE 3.17Å; R66-L72 VanDerWaalsContact NH2-CD1 3.3Å |
| 67 | P | 85.4 | Confident | 67.3 | Low | 65 Ų | 65 | 120 Ų | 120 | 42% | 0.422 | 69% | 0.685 | S | S | . | * | | | trans | -59.3 | 152 | 179.5 | 25 | -33 | 0 | 0 | 0 | 109.4 | Y65 G69 A70 R71 | Y65-P67 HydrophobicContact CE1-CB 4.16Å; Y65-P67 WeakPolarHBondContact O-CD 3.49Å; P67-G69 PolarHBondContact O-N 3.09Å; P67-A70 HydrophobicContact CG-CB 3.87Å; P67-A70 PolarHBondContact O-N 2.89Å; P67-R71 PolarHBondContact O-N 3.05Å |
| 68 | P | 76.4 | Confident | 67 | Low | 88 Ų | 88 | 116.6 Ų | 116.6 | 57% | 0.571 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -49.3 | -41.3 | -173.4 | -28.7 | 35.4 | 0 | 0 | 0 | 113.4 | A70 R71 | P68-A70 VanDerWaalsContact C-N 3.3Å; P68-A70 PolarHBondContact O-N 3.27Å; P68-R71 WeakPolarHBondContact O-CB 3.3Å; P68-R71 PolarHBondContact O-N 3.03Å |
| 69 | G | 78.9 | Confident | 67 | Low | 87 Ų | 87 | 116 Ų | 116 | 90% | 0.897 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -72 | -14 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | P67 | P67-G69 PolarHBondContact O-N 3.09Š|
| 70 | A | 78.3 | Confident | 67.6 | Low | 45 Ų | 45 | 119.3 Ų | 119.3 | 37% | 0.372 | 67% | 0.674 | S | S | . | * | G | 310 helix | trans | -99.8 | -6.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | R66 P67 P68 L72 | R66-A70 VanDerWaalsContact CD-O 3.29Å; R66-A70 WeakPolarHBondContact CD-O 3.09Å; R66-A70 HydrophobicContact CG-CB 3.75Å; R66-A70 VanDerWaalsContact CZ-O 3.29Å; R66-A70 PolarHBondContact NE-O 2.94Å; P67-A70 HydrophobicContact CG-CB 3.87Å; P67-A70 PolarHBondContact O-N 2.89Å; P68-A70 VanDerWaalsContact C-N 3.3Å; P68-A70 PolarHBondContact O-N 3.27Å; A70-L72 PolarHBondContact O-N 2.92Å |
| 71 | R | 81.4 | Confident | 68.5 | Low | 132 Ų | 132 | 114 Ų | 114 | 50% | 0.498 | 66% | 0.661 | S | S | . | * | S | Bend | trans | -68.5 | 120.4 | 177.1 | -65.1 | 179.1 | -178.6 | -167.1 | -4.2 | 108.7 | R66 P67 P68 T73 | R66-R71 HydrophobicContact CB-CG 4.29Å; R66-R71 HydrophobicContact CG-CG 4.2Å; R66-R71 PolarHBondContact O-NE 3.3Å; R66-R71 VanDerWaalsContact O-NE 3.17Å; P67-R71 PolarHBondContact O-N 3.05Å; P68-R71 WeakPolarHBondContact O-CB 3.3Å; P68-R71 PolarHBondContact O-N 3.03Å; R71-T73 HydrophobicContact CB-CG2 4.2Å; R71-T73 PolarHBondContact O-N 3.35Å |
| 72 | L | 75.4 | Confident | 69.7 | Low | 134 Ų | 134 | 113.8 Ų | 113.8 | 70% | 0.702 | 66% | 0.66 | S | S | * | * | | | trans | -69 | 95.8 | 166.7 | -77.7 | 131.1 | 0 | 0 | 0 | 107.8 | R66 A70 T74 | R66-L72 VanDerWaalsContact NH2-CD1 3.3Å; A70-L72 PolarHBondContact O-N 2.92Å; L72-T74 PolarHBondContact O-N 2.92Å |
| 73 | T | 66.3 | Low | 70.6 | Confident | 122 Ų | 122 | 112.4 Ų | 112.4 | 75% | 0.748 | 65% | 0.649 | S | S | * | * | | | trans | -90.6 | 93.6 | 176.5 | 57.3 | 0 | 0 | 0 | 0 | 109.6 | R71 T75 | R71-T73 HydrophobicContact CB-CG2 4.2Å; R71-T73 PolarHBondContact O-N 3.35Å; T73-T75 PolarHBondContact O-N 3.44Å |
| 74 | T | 60.6 | Low | 71.6 | Confident | 131 Ų | 131 | 114.7 Ų | 114.7 | 80% | 0.804 | 64% | 0.637 | S | S | * | * | | | trans | -91.9 | 71 | 171.4 | 58.6 | 0 | 0 | 0 | 0 | 109.8 | L72 | L72-T74 PolarHBondContact O-N 2.92Š|
| 75 | T | 50.8 | Low | 71.9 | Confident | 116 Ų | 116 | 114.5 Ų | 114.5 | 71% | 0.712 | 63% | 0.631 | S | S | * | * | | | trans | -124.5 | 91.4 | 164.5 | -78.7 | 0 | 0 | 0 | 0 | 108.3 | T73 K77 | T73-T75 PolarHBondContact O-N 3.44Å; T75-K77 HydrophobicContact CG2-CG 4.22Å |
| 76 | R | 54.1 | Low | 72 | Confident | 166 Ų | 166 | 116.4 Ų | 116.4 | 63% | 0.626 | 64% | 0.638 | S | S | * | * | | | trans | -85.2 | 108.6 | 171.9 | -174.9 | 174.5 | 178.3 | -129.3 | 0.6 | 107.8 | Q80 | R76-Q80 VanDerWaalsContact NH2-CD 3.28Š|
| 77 | K | 58.5 | Low | 72 | Confident | 181 Ų | 181 | 111.5 Ų | 111.5 | 79% | 0.787 | 62% | 0.624 | S | S | * | * | | | trans | -115.9 | 104.3 | 154.8 | -49.7 | -64.7 | 174.5 | -178.9 | 0 | 104.3 | T75 | T75-K77 HydrophobicContact CG2-CG 4.22Š|
| 78 | T | 53.7 | Low | 71.9 | Confident | 102 Ų | 102 | 111.9 Ų | 111.9 | 63% | 0.626 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -41.1 | 142.2 | -177.6 | -33 | 0 | 0 | 0 | 0 | 111.7 | | |
| 79 | P | 55.2 | Low | 72.1 | Confident | 97 Ų | 97 | 113.8 Ų | 113.8 | 63% | 0.63 | 63% | 0.632 | S | S | * | * | | | cis | -98.8 | 149.6 | 37.7 | -1.9 | 23.2 | 0 | 0 | 0 | 115.1 | | |
| 80 | Q | 65.8 | Low | 72.4 | Confident | 153 Ų | 153 | 113.6 Ų | 113.6 | 72% | 0.715 | 61% | 0.608 | S | S | * | * | | | trans | -95.9 | 95.7 | -171.9 | -176.8 | 177.3 | -1.6 | 0 | 0 | 109 | R76 | R76-Q80 VanDerWaalsContact NH2-CD 3.28Š|
| 81 | G | 73.4 | Confident | 72.7 | Confident | 53 Ų | 53 | 116.4 Ų | 116.4 | 55% | 0.546 | 61% | 0.612 | S | S | . | * | S | Bend | trans | 171.5 | 166.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 82 | P | 80.5 | Confident | 72.9 | Confident | 117 Ų | 117 | 115.4 Ų | 115.4 | 76% | 0.76 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -49.7 | 145.7 | 161.9 | -21.5 | 33.2 | 0 | 0 | 0 | 109.2 | E84 | P82-E84 PolarHBondContact O-N 2.78Š|
| 83 | P | 79.1 | Confident | 73.2 | Confident | 74 Ų | 74 | 111.2 Ų | 111.2 | 48% | 0.481 | 60% | 0.604 | S | S | . | * | | | trans | -55.4 | 134.8 | 179.6 | 26 | -34.7 | 0 | 0 | 0 | 109.8 | I85 F91 | P83-I85 PolarHBondContact O-N 2.95Å; P83-F91 HydrophobicContact CB-CE2 3.92Å; P83-F91 HydrophobicContact CB-CZ 4.33Å; P83-F91 HydrophobicContact CG-CE2 4.36Å; P83-F91 HydrophobicContact CG-CZ 4.38Å |
| 84 | E | 85.4 | Confident | 73.6 | Confident | 130 Ų | 130 | 113 Ų | 113 | 61% | 0.607 | 61% | 0.609 | S | S | * | * | | | trans | -74.1 | 114.3 | 179.4 | -73.7 | 179.4 | -145.9 | 0 | 0 | 107.9 | P82 Y86 S87 | P82-E84 PolarHBondContact O-N 2.78Å; E84-Y86 PolarHBondContact O-N 2.79Å; E84-S87 VanDerWaalsContact O-CB 3.3Å; E84-S87 WeakPolarHBondContact O-CB 3.35Å; E84-S87 PolarHBondContact O-N 2.98Å |
| 85 | I | 84.3 | Confident | 74.1 | Confident | 118 Ų | 118 | 115.7 Ų | 115.7 | 61% | 0.605 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -15.2 | -175.2 | 62.1 | 172 | 0 | 0 | 0 | 113.9 | P83 | P83-I85 PolarHBondContact O-N 2.95Š|
| 86 | Y | 84.1 | Confident | 75.1 | Confident | 204 Ų | 204 | 112.6 Ų | 112.6 | 80% | 0.8 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | 5.4 | 176.2 | -55.1 | -67.7 | 0 | 0 | 0 | 112.9 | E84 D88 | E84-Y86 PolarHBondContact O-N 2.79Å; Y86-D88 PolarHBondContact O-N 2.87Å |
| 87 | S | 84.6 | Confident | 75.4 | Confident | 27 Ų | 27 | 109.4 Ų | 109.4 | 19% | 0.189 | 60% | 0.595 | C | S | . | * | | | trans | -79.9 | 109.9 | 178 | -177.7 | 0 | 0 | 0 | 0 | 110.3 | E84 T89 Q90 F91 | E84-S87 VanDerWaalsContact O-CB 3.3Å; E84-S87 WeakPolarHBondContact O-CB 3.35Å; E84-S87 PolarHBondContact O-N 2.98Å; S87-T89 PolarHBondContact O-N 3.05Å; S87-T89 PolarHBondContact OG-OG1 3.31Å; S87-Q90 PolarHBondContact O-N 2.78Å; S87-F91 CarbonylContact O-C 3.56Å; S87-F91 PolarHBondContact O-N 3.39Å |
| 88 | D | 82.8 | Confident | 75.6 | Confident | 72 Ų | 72 | 105 Ų | 105 | 39% | 0.385 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -57.1 | -22.5 | 174.4 | -81.4 | -6.2 | 0 | 0 | 0 | 113.9 | Y86 F91 P92 S93 S96 | Y86-D88 PolarHBondContact O-N 2.87Å; D88-F91 WeakPolarHBondContact CA-O 3.34Å; D88-P92 VanDerWaalsContact O-CA 3.31Å; D88-P92 WeakPolarHBondContact O-CA 3.31Å; D88-S93 WeakPolarHBondContact OD1-CB 3.18Å; D88-S93 PolarHBondContact OD1-OG 3.32Å; D88-S96 WeakPolarHBondContact CB-OG 3.39Å; D88-S96 WeakPolarHBondContact OD2-CB 3.11Å; D88-S96 PolarHBondContact OD2-OG 3.14Å |
| 89 | T | 80.5 | Confident | 76.1 | Confident | 128 Ų | 128 | 109.5 Ų | 109.5 | 79% | 0.785 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -30 | 176.1 | 64.8 | 0 | 0 | 0 | 0 | 113.5 | S87 | S87-T89 PolarHBondContact O-N 3.05Å; S87-T89 PolarHBondContact OG-OG1 3.31Å |
| 90 | Q | 84.6 | Confident | 76.4 | Confident | 83 Ų | 83 | 111 Ų | 111 | 39% | 0.388 | 60% | 0.601 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.2 | -36.5 | -179.7 | -65.4 | -177.5 | -24.7 | 0 | 0 | 111.1 | S87 | S87-Q90 PolarHBondContact O-N 2.78Š|
| 91 | F | 86.4 | Confident | 76.3 | Confident | 104 Ų | 104 | 109.6 Ų | 109.6 | 46% | 0.456 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -131.7 | 93.9 | 177 | -59.9 | -75.2 | 0 | 0 | 0 | 107.7 | P83 S87 D88 S93 | P83-F91 HydrophobicContact CB-CE2 3.92Å; P83-F91 HydrophobicContact CB-CZ 4.33Å; P83-F91 HydrophobicContact CG-CE2 4.36Å; P83-F91 HydrophobicContact CG-CZ 4.38Å; S87-F91 CarbonylContact O-C 3.56Å; S87-F91 PolarHBondContact O-N 3.39Å; D88-F91 WeakPolarHBondContact CA-O 3.34Å; F91-S93 PolarHBondContact O-N 2.96Å |
| 92 | P | 85.3 | Confident | 76.2 | Confident | 111 Ų | 111 | 112.6 Ų | 112.6 | 72% | 0.721 | 60% | 0.602 | S | S | * | * | | | trans | -59.5 | 111.9 | 177.9 | 12.8 | -15 | 0 | 0 | 0 | 109 | D88 | D88-P92 VanDerWaalsContact O-CA 3.31Å; D88-P92 WeakPolarHBondContact O-CA 3.31Å |
| 93 | S | 81.5 | Confident | 75.9 | Confident | 46 Ų | 46 | 109.1 Ų | 109.1 | 32% | 0.322 | 58% | 0.581 | S | S | . | * | | | trans | -74.7 | 156.1 | 177.7 | 70.3 | 0 | 0 | 0 | 0 | 110.6 | D88 F91 Q95 S96 | D88-S93 WeakPolarHBondContact OD1-CB 3.18Å; D88-S93 PolarHBondContact OD1-OG 3.32Å; F91-S93 PolarHBondContact O-N 2.96Å; S93-Q95 PolarHBondContact O-N 2.76Å; S93-S96 WeakPolarHBondContact O-CA 3.36Å; S93-S96 WeakPolarHBondContact O-CB 3.35Å; S93-S96 PolarHBondContact O-N 2.65Å; S93-S96 PolarHBondContact OG-N 3.01Å |
| 94 | L | 74.6 | Confident | 76 | Confident | 161 Ų | 161 | 116.4 Ų | 116.4 | 84% | 0.843 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -60.2 | -28.8 | 174 | -67.2 | 174 | 0 | 0 | 0 | 112.1 | S96 T97 | L94-S96 VanDerWaalsContact C-N 3.25Å; L94-S96 PolarHBondContact O-N 2.93Å; L94-T97 WeakPolarHBondContact O-CG2 3.49Å; L94-T97 PolarHBondContact O-N 2.75Å; L94-T97 PolarHBondContact O-OG1 2.67Å; L94-T97 VanDerWaalsContact O-OG1 3.06Å |
| 95 | Q | 71.8 | Confident | 75.9 | Confident | 186 Ų | 186 | 116.4 Ų | 116.4 | 87% | 0.869 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -75.4 | -16.9 | 173.7 | -62.2 | -161.2 | -26.4 | 0 | 0 | 113 | S93 T97 | S93-Q95 PolarHBondContact O-N 2.76Å; Q95-T97 PolarHBondContact O-N 3.48Å |
| 96 | S | 69.9 | Low | 75.9 | Confident | 52 Ų | 52 | 112.7 Ų | 112.7 | 36% | 0.364 | 58% | 0.578 | S | S | . | * | G | 310 helix | trans | -75.3 | -3.5 | 173.9 | -131.7 | 0 | 0 | 0 | 0 | 112.9 | D88 S93 L94 A98 | D88-S96 WeakPolarHBondContact CB-OG 3.39Å; D88-S96 WeakPolarHBondContact OD2-CB 3.11Å; D88-S96 PolarHBondContact OD2-OG 3.14Å; S93-S96 WeakPolarHBondContact O-CA 3.36Å; S93-S96 WeakPolarHBondContact O-CB 3.35Å; S93-S96 PolarHBondContact O-N 2.65Å; S93-S96 PolarHBondContact OG-N 3.01Å; L94-S96 VanDerWaalsContact C-N 3.25Å; L94-S96 PolarHBondContact O-N 2.93Å; S96-A98 PolarHBondContact O-N 3.22Å |
| 97 | T | 60.7 | Low | 75.9 | Confident | 99 Ų | 99 | 107.4 Ų | 107.4 | 61% | 0.607 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -57.5 | 107 | 163.6 | 60.4 | 0 | 0 | 0 | 0 | 107.2 | L94 Q95 K99 | L94-T97 WeakPolarHBondContact O-CG2 3.49Å; L94-T97 PolarHBondContact O-N 2.75Å; L94-T97 PolarHBondContact O-OG1 2.67Å; L94-T97 VanDerWaalsContact O-OG1 3.06Å; Q95-T97 PolarHBondContact O-N 3.48Å; T97-K99 PolarHBondContact O-N 2.89Å |
| 98 | A | 63 | Low | 76 | Confident | 88 Ų | 88 | 111.3 Ų | 111.3 | 73% | 0.727 | 57% | 0.574 | S | S | * | * | | | trans | -40.8 | 127.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | S96 H100 | S96-A98 PolarHBondContact O-N 3.22Å; A98-H100 WeakPolarHBondContact O-CA 3.48Å; A98-H100 PolarHBondContact O-N 3.25Å |
| 99 | K | 64.3 | Low | 76.2 | Confident | 197 Ų | 197 | 112.6 Ų | 112.6 | 86% | 0.857 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -13.6 | 100.1 | 174.4 | -68.2 | -84.6 | -177.5 | 178.4 | 0 | 109.4 | T97 V101 | T97-K99 PolarHBondContact O-N 2.89Å; K99-V101 VanDerWaalsContact C-N 3.32Å; K99-V101 PolarHBondContact O-N 3.06Å |
| 100 | H | 61.3 | Low | 76.2 | Confident | 128 Ų | 128 | 112 Ų | 112 | 59% | 0.593 | 57% | 0.568 | S | S | * | * | | | trans | -52 | 97.9 | -171.2 | -178.6 | -164 | 0 | 0 | 0 | 109.1 | A98 E102 D106 | A98-H100 WeakPolarHBondContact O-CA 3.48Å; A98-H100 PolarHBondContact O-N 3.25Å; H100-E102 PolarHBondContact O-N 3.4Å; H100-D106 IonicContact CD2-OD2 4Å; H100-D106 IonicContact NE2-OD2 3.74Å; H100-D106 PolarHBondContact NE2-OD2 2.76Å; H100-D106 VanDerWaalsContact NE2-OD2 3.14Å |
| 101 | V | 64.9 | Low | 76.3 | Confident | 124 Ų | 124 | 116.4 Ų | 116.4 | 75% | 0.752 | 59% | 0.586 | S | S | * | * | | | trans | -83 | 100.9 | 166.2 | 168.9 | 0 | 0 | 0 | 0 | 102.4 | K99 S103 | K99-V101 VanDerWaalsContact C-N 3.32Å; K99-V101 PolarHBondContact O-N 3.06Å; V101-S103 VanDerWaalsContact C-N 3.32Å; V101-S103 PolarHBondContact O-N 3.35Å |
| 102 | E | 69.7 | Low | 76.6 | Confident | 115 Ų | 115 | 115.8 Ų | 115.8 | 54% | 0.537 | 59% | 0.594 | S | S | . | * | | | trans | -43.2 | 100.3 | 174.3 | -68.2 | 167.7 | -164.1 | 0 | 0 | 108.8 | H100 K107 | H100-E102 PolarHBondContact O-N 3.4Å; E102-K107 WeakPolarHBondContact OE2-CE 3.44Å; E102-K107 IonicContact OE2-NZ 2.73Å; E102-K107 PolarHBondContact OE2-NZ 2.85Å |
| 103 | S | 75.4 | Confident | 76.6 | Confident | 44 Ų | 44 | 118 Ų | 118 | 31% | 0.308 | 59% | 0.593 | S | S | . | * | | | trans | -77.6 | 154.3 | -175.4 | 75.8 | 0 | 0 | 0 | 0 | 107.5 | V101 K105 D106 K107 | V101-S103 VanDerWaalsContact C-N 3.32Å; V101-S103 PolarHBondContact O-N 3.35Å; S103-K105 PolarHBondContact O-N 3.27Å; S103-K105 PolarHBondContact OG-N 3.28Å; S103-D106 WeakPolarHBondContact CB-OD2 3.44Å; S103-D106 PolarHBondContact N-OD2 3.17Å; S103-D106 PolarHBondContact O-N 3.22Å; S103-D106 PolarHBondContact OG-N 2.98Å; S103-D106 VanDerWaalsContact OG-N 3.1Å; S103-D106 PolarHBondContact OG-OD1 2.61Å; S103-D106 PolarHBondContact OG-OD2 3.14Å; S103-K107 PolarHBondContact O-N 2.93Å |
| 104 | R | 81.3 | Confident | 76.9 | Confident | 228 Ų | 228 | 124.3 Ų | 124.3 | 86% | 0.86 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.5 | -27.4 | 172.6 | -175.3 | 178 | 177.3 | -171.8 | 0.2 | 111.7 | E108 | R104-E108 PolarHBondContact O-N 2.87Š|
| 105 | K | 82.3 | Confident | 77.5 | Confident | 129 Ų | 129 | 122.6 Ų | 122.6 | 56% | 0.561 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -38.2 | 176.9 | -73.4 | -74.4 | 166.4 | -163.4 | 0 | 112.4 | S103 K107 E108 M109 | S103-K105 PolarHBondContact O-N 3.27Å; S103-K105 PolarHBondContact OG-N 3.28Å; K105-K107 PolarHBondContact O-N 3.15Å; K105-E108 IonicContact NZ-OE1 2.8Å; K105-E108 IonicContact NZ-OE2 3.14Å; K105-E108 PolarHBondContact NZ-OE2 2.9Å; K105-E108 WeakPolarHBondContact O-CB 3.44Å; K105-E108 PolarHBondContact O-N 3.3Å; K105-E108 VanDerWaalsContact O-N 3.11Å; K105-M109 WeakPolarHBondContact O-CG 3.45Å; K105-M109 PolarHBondContact O-N 3.31Å |
| 106 | D | 85.1 | Confident | 78.2 | Confident | 40 Ų | 40 | 118.7 Ų | 118.7 | 21% | 0.214 | 60% | 0.601 | C | S | . | * | H | α-helix | trans | -61.7 | -46.2 | 174.3 | -57 | -31.2 | 0 | 0 | 0 | 110.6 | H100 S103 E108 M109 E110 | H100-D106 IonicContact CD2-OD2 4Å; H100-D106 IonicContact NE2-OD2 3.74Å; H100-D106 PolarHBondContact NE2-OD2 2.76Å; H100-D106 VanDerWaalsContact NE2-OD2 3.14Å; S103-D106 WeakPolarHBondContact CB-OD2 3.44Å; S103-D106 PolarHBondContact N-OD2 3.17Å; S103-D106 PolarHBondContact O-N 3.22Å; S103-D106 PolarHBondContact OG-N 2.98Å; S103-D106 VanDerWaalsContact OG-N 3.1Å; S103-D106 PolarHBondContact OG-OD1 2.61Å; S103-D106 PolarHBondContact OG-OD2 3.14Å; D106-E108 PolarHBondContact O-N 3.1Å; D106-M109 PolarHBondContact O-N 2.72Å; D106-M109 VanDerWaalsContact O-N 3.11Å; D106-M109 WeakPolarHBondContact OD1-CE 3.27Å; D106-E110 WeakPolarHBondContact O-CG 3.36Å; D106-E110 PolarHBondContact O-N 2.95Å |
| 107 | K | 84.8 | Confident | 78.8 | Confident | 93 Ų | 93 | 124.8 Ų | 124.8 | 40% | 0.404 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -62.9 | -22.8 | 174.5 | -77.9 | -177 | 165.4 | 144.2 | 0 | 114.6 | E102 S103 K105 K111 | E102-K107 WeakPolarHBondContact OE2-CE 3.44Å; E102-K107 IonicContact OE2-NZ 2.73Å; E102-K107 PolarHBondContact OE2-NZ 2.85Å; S103-K107 PolarHBondContact O-N 2.93Å; K105-K107 PolarHBondContact O-N 3.15Å; K107-K111 VanDerWaalsContact O-CD 3.31Å; K107-K111 WeakPolarHBondContact O-CD 3.41Å; K107-K111 VanDerWaalsContact O-CE 3.25Å; K107-K111 WeakPolarHBondContact O-CE 3.35Å; K107-K111 WeakPolarHBondContact O-CG 3.38Å |
| 108 | E | 86.4 | Confident | 79.8 | Confident | 109 Ų | 109 | 126.4 Ų | 126.4 | 51% | 0.509 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -80 | -43.8 | 174.2 | -173.2 | -178.8 | 178.6 | 0 | 0 | 110.2 | R104 K105 D106 K111 | R104-E108 PolarHBondContact O-N 2.87Å; K105-E108 IonicContact NZ-OE1 2.8Å; K105-E108 IonicContact NZ-OE2 3.14Å; K105-E108 PolarHBondContact NZ-OE2 2.9Å; K105-E108 WeakPolarHBondContact O-CB 3.44Å; K105-E108 PolarHBondContact O-N 3.3Å; K105-E108 VanDerWaalsContact O-N 3.11Å; D106-E108 PolarHBondContact O-N 3.1Å; E108-K111 WeakPolarHBondContact O-CB 3.13Å; E108-K111 PolarHBondContact O-N 2.72Å |
| 109 | M | 85.6 | Confident | 80.2 | Confident | 99 Ų | 99 | 128.9 Ų | 128.9 | 49% | 0.488 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -65.8 | -37.4 | 177.5 | -67 | -173.7 | -63.7 | 0 | 0 | 112 | K105 D106 K111 S112 F113 | K105-M109 WeakPolarHBondContact O-CG 3.45Å; K105-M109 PolarHBondContact O-N 3.31Å; D106-M109 PolarHBondContact O-N 2.72Å; D106-M109 VanDerWaalsContact O-N 3.11Å; D106-M109 WeakPolarHBondContact OD1-CE 3.27Å; M109-K111 PolarHBondContact O-N 2.61Å; M109-K111 VanDerWaalsContact O-N 3.16Å; M109-S112 WeakPolarHBondContact O-CB 3.35Å; M109-S112 PolarHBondContact O-N 2.63Å; M109-S112 PolarHBondContact O-OG 2.8Å; M109-F113 WeakPolarHBondContact O-CD2 3.45Å; M109-F113 WeakPolarHBondContact O-CE2 3.25Å |
| 110 | E | 82.4 | Confident | 80 | Confident | 117 Ų | 117 | 126 Ų | 126 | 55% | 0.547 | 61% | 0.605 | S | S | . | * | G | 310 helix | trans | -56 | -31.6 | 173.4 | -75.7 | 168.8 | -171.7 | 0 | 0 | 113 | D106 S112 | D106-E110 WeakPolarHBondContact O-CG 3.36Å; D106-E110 PolarHBondContact O-N 2.95Å; E110-S112 VanDerWaalsContact C-N 3.3Å |
| 111 | K | 86.8 | Confident | 80.2 | Confident | 175 Ų | 175 | 129.6 Ų | 129.6 | 76% | 0.761 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -79.5 | -13.4 | 177.9 | -62.5 | 164.9 | -176.8 | 173.3 | 0 | 113.3 | K107 E108 M109 | K107-K111 VanDerWaalsContact O-CD 3.31Å; K107-K111 WeakPolarHBondContact O-CD 3.41Å; K107-K111 VanDerWaalsContact O-CE 3.25Å; K107-K111 WeakPolarHBondContact O-CE 3.35Å; K107-K111 WeakPolarHBondContact O-CG 3.38Å; E108-K111 WeakPolarHBondContact O-CB 3.13Å; E108-K111 PolarHBondContact O-N 2.72Å; M109-K111 PolarHBondContact O-N 2.61Å; M109-K111 VanDerWaalsContact O-N 3.16Å |
| 112 | S | 90.9 | Very high | 79.8 | Confident | 90 Ų | 90 | 130 Ų | 130 | 63% | 0.629 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -88.6 | -10.3 | -179.2 | 69.2 | 0 | 0 | 0 | 0 | 113.8 | M109 E110 | M109-S112 WeakPolarHBondContact O-CB 3.35Å; M109-S112 PolarHBondContact O-N 2.63Å; M109-S112 PolarHBondContact O-OG 2.8Å; E110-S112 VanDerWaalsContact C-N 3.3Å |
| 113 | F | 85.4 | Confident | 79.3 | Confident | 158 Ų | 158 | 134.9 Ų | 134.9 | 69% | 0.693 | 63% | 0.625 | S | S | * | * | | | trans | -87.9 | 124.1 | 176.3 | -64.7 | -77.2 | 0 | 0 | 0 | 111.2 | M109 | M109-F113 WeakPolarHBondContact O-CD2 3.45Å; M109-F113 WeakPolarHBondContact O-CE2 3.25Å |
| 114 | E | 88.9 | Confident | 78.5 | Confident | 178 Ų | 178 | 140.7 Ų | 140.7 | 83% | 0.832 | 65% | 0.647 | S | S | * | * | | | trans | -86.3 | 123.3 | 168.5 | -175.4 | 167 | -163.3 | 0 | 0 | 109.8 | V116 | E114-V116 PolarHBondContact O-N 2.8Š|
| 115 | V | 85.8 | Confident | 77.2 | Confident | 125 Ų | 125 | 136.3 Ų | 136.3 | 76% | 0.758 | 64% | 0.637 | S | S | * | * | | | trans | -75.6 | 98.9 | 176.5 | -179.2 | 0 | 0 | 0 | 0 | 109.1 | R117 | V115-R117 HydrophobicContact CG1-CG 4.31Å; V115-R117 PolarHBondContact O-N 2.88Å |
| 116 | V | 87 | Confident | 76 | Confident | 104 Ų | 104 | 134.9 Ų | 134.9 | 63% | 0.63 | 64% | 0.638 | S | S | * | * | | | trans | -75.3 | 109.1 | 174.6 | -179.7 | 0 | 0 | 0 | 0 | 109.4 | E114 | E114-V116 PolarHBondContact O-N 2.8Š|
| 117 | R | 84.1 | Confident | 74.5 | Confident | 181 Ų | 181 | 136.2 Ų | 136.2 | 68% | 0.683 | 65% | 0.651 | S | S | * | * | | | trans | -91.6 | 115.1 | 170.9 | -63.1 | -165.2 | -61 | 153.3 | -8 | 109.8 | V115 K119 | V115-R117 HydrophobicContact CG1-CG 4.31Å; V115-R117 PolarHBondContact O-N 2.88Å; R117-K119 PolarHBondContact O-N 3.16Å; R117-K119 VanDerWaalsContact O-N 3.12Å |
| 118 | H | 80 | Confident | 73.2 | Confident | 133 Ų | 133 | 140 Ų | 140 | 62% | 0.616 | 67% | 0.667 | S | S | * | * | | | trans | -72.7 | 105.3 | 170.8 | -67.5 | -77.2 | 0 | 0 | 0 | 109.7 | R121 | H118-R121 HydrophobicContact CB-CB 4.4Š|
| 119 | K | 72.1 | Confident | 71.9 | Confident | 140 Ų | 140 | 141.5 Ų | 141.5 | 61% | 0.609 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -100.3 | 125.8 | 164.1 | -53.4 | -177.7 | -174.5 | -177.7 | 0 | 105.6 | R117 | R117-K119 PolarHBondContact O-N 3.16Å; R117-K119 VanDerWaalsContact O-N 3.12Å |
| 120 | N | 61.1 | Low | 70.6 | Confident | 136 Ų | 136 | 143.9 Ų | 143.9 | 73% | 0.727 | 69% | 0.689 | S | S | * | * | | | trans | 74.9 | 36.7 | -177.8 | -31.7 | -57.6 | 0 | 0 | 0 | 115.3 | D122 | N120-D122 PolarHBondContact O-N 2.94Š|
| 121 | R | 63.8 | Low | 69.9 | Low | 203 Ų | 203 | 142.5 Ų | 142.5 | 77% | 0.766 | 70% | 0.698 | S | S | * | * | | | trans | -78.3 | 54.1 | 146.3 | -147.5 | 175.8 | -161.9 | 162.8 | 2 | 107.2 | H118 R123 | H118-R121 HydrophobicContact CB-CB 4.4Å; R121-R123 PolarHBondContact O-N 3.11Å |
| 122 | D | 57.7 | Low | 69 | Low | 133 Ų | 133 | 141.6 Ų | 141.6 | 71% | 0.711 | 70% | 0.7 | S | S | * | * | | | trans | -60 | 99.8 | 161.1 | -72.7 | -43.5 | 0 | 0 | 0 | 103 | N120 E124 | N120-D122 PolarHBondContact O-N 2.94Å; D122-E124 PolarHBondContact O-N 3.11Å |
| 123 | R | 59.6 | Low | 68.1 | Low | 217 Ų | 217 | 146.6 Ų | 146.6 | 82% | 0.819 | 71% | 0.711 | S | S | * | * | | | trans | -53.9 | 87.2 | 155.3 | 174.8 | 179.5 | 176.6 | 179.8 | -0.5 | 103.5 | R121 E125 | R121-R123 PolarHBondContact O-N 3.11Å; R123-E125 PolarHBondContact O-N 3.19Å |
| 124 | E | 57.1 | Low | 67.7 | Low | 167 Ų | 167 | 145.8 Ų | 145.8 | 78% | 0.78 | 71% | 0.713 | S | S | * | * | | | trans | -45 | 117.3 | 160.4 | -171.9 | -177 | -161.4 | 0 | 0 | 103.1 | D122 V126 | D122-E124 PolarHBondContact O-N 3.11Å; E124-V126 PolarHBondContact O-N 3.25Å |
| 125 | E | 55.3 | Low | 67.1 | Low | 135 Ų | 135 | 145.1 Ų | 145.1 | 63% | 0.631 | 71% | 0.71 | S | S | * | * | | | trans | -58.2 | 85.9 | 175.6 | -81.5 | -121.6 | -178.9 | 0 | 0 | 105.9 | R123 S127 K128 | R123-E125 PolarHBondContact O-N 3.19Å; E125-S127 PolarHBondContact O-N 3.49Å; E125-K128 VanDerWaalsContact OE2-CE 3.27Å; E125-K128 WeakPolarHBondContact OE2-CE 3.31Å; E125-K128 IonicContact OE2-NZ 3.87Å |
| 126 | V | 55.3 | Low | 66.7 | Low | 99 Ų | 99 | 146 Ų | 146 | 60% | 0.6 | 71% | 0.709 | S | S | * | * | | | trans | -54.5 | 100.5 | 155 | -111.1 | 0 | 0 | 0 | 0 | 101.9 | E124 K128 | E124-V126 PolarHBondContact O-N 3.25Å; V126-K128 PolarHBondContact O-N 3.43Å; V126-K128 VanDerWaalsContact O-N 3.17Å |
| 127 | S | 54.5 | Low | 66.2 | Low | 68 Ų | 68 | 145.5 Ų | 145.5 | 48% | 0.476 | 70% | 0.703 | S | S | . | * | | | trans | -35.6 | 127.3 | 177.1 | 173.7 | 0 | 0 | 0 | 0 | 107 | E125 N129 Q130 | E125-S127 PolarHBondContact O-N 3.49Å; S127-N129 PolarHBondContact O-N 3.04Å; S127-Q130 PolarHBondContact O-N 3Å |
| 128 | K | 56.9 | Low | 65.5 | Low | 173 Ų | 173 | 143.9 Ų | 143.9 | 75% | 0.752 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | 12.3 | -168.2 | -58.4 | 170.8 | -172.8 | 171.8 | 0 | 114.7 | E125 V126 | E125-K128 VanDerWaalsContact OE2-CE 3.27Å; E125-K128 WeakPolarHBondContact OE2-CE 3.31Å; E125-K128 IonicContact OE2-NZ 3.87Å; V126-K128 PolarHBondContact O-N 3.43Å; V126-K128 VanDerWaalsContact O-N 3.17Å |
| 129 | N | 59.2 | Low | 65.1 | Low | 141 Ų | 141 | 144.1 Ų | 144.1 | 75% | 0.754 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.5 | -4.8 | -175.6 | -56.7 | -70.4 | 0 | 0 | 0 | 113.8 | S127 A131 | S127-N129 PolarHBondContact O-N 3.04Å; N129-A131 VanDerWaalsContact C-N 3.33Å; N129-A131 PolarHBondContact O-N 3.2Å |
| 130 | Q | 58.8 | Low | 64.8 | Low | 148 Ų | 148 | 147.6 Ų | 147.6 | 69% | 0.692 | 72% | 0.72 | S | S | * | * | | | trans | -92.9 | 67.3 | 172.1 | -69.9 | -158.1 | 10.8 | 0 | 0 | 111 | S127 L132 | S127-Q130 PolarHBondContact O-N 3Å; Q130-L132 PolarHBondContact O-N 2.75Å |
| 131 | A | 67.4 | Low | 64.9 | Low | 89 Ų | 89 | 145.3 Ų | 145.3 | 74% | 0.736 | 72% | 0.721 | S | S | * | * | | | trans | -66.8 | 115.6 | 157.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | N129 K133 | N129-A131 VanDerWaalsContact C-N 3.33Å; N129-A131 PolarHBondContact O-N 3.2Å; A131-K133 PolarHBondContact O-N 2.73Å |
| 132 | L | 67.6 | Low | 64.8 | Low | 155 Ų | 155 | 141.8 Ų | 141.8 | 81% | 0.812 | 72% | 0.721 | S | S | * | * | | | trans | -58.7 | 106.7 | 171.4 | -65.9 | 172.7 | 0 | 0 | 0 | 107.7 | Q130 L134 | Q130-L132 PolarHBondContact O-N 2.75Å; L132-L134 PolarHBondContact O-N 3.03Å |
| 133 | K | 73.1 | Confident | 65 | Low | 196 Ų | 196 | 142.7 Ų | 142.7 | 85% | 0.852 | 73% | 0.725 | S | S | * | * | | | trans | -72.9 | 98.5 | -179.5 | -172.9 | 177.3 | 179.2 | -179 | 0 | 108.5 | A131 Q135 | A131-K133 PolarHBondContact O-N 2.73Å; K133-Q135 PolarHBondContact O-N 3.12Å |
| 134 | L | 76.4 | Confident | 65.2 | Low | 140 Ų | 140 | 140.3 Ų | 140.3 | 73% | 0.733 | 72% | 0.723 | S | S | * | * | | | trans | -67.6 | 119.3 | 172.7 | -59.4 | 175.7 | 0 | 0 | 0 | 108.7 | L132 L136 | L132-L134 PolarHBondContact O-N 3.03Å; L134-L136 PolarHBondContact O-N 3.06Å |
| 135 | Q | 76.6 | Confident | 65.3 | Low | 164 Ų | 164 | 139.6 Ų | 139.6 | 77% | 0.766 | 73% | 0.725 | S | S | * | * | | | trans | -79.8 | 113.7 | 170.5 | -68.9 | -177.5 | -89.7 | 0 | 0 | 108.1 | K133 | K133-Q135 PolarHBondContact O-N 3.12Š|
| 136 | L | 76.6 | Confident | 65.3 | Low | 144 Ų | 144 | 141.5 Ų | 141.5 | 75% | 0.754 | 73% | 0.734 | S | S | * | * | | | trans | -107.9 | 36.3 | 177.5 | -58 | 178.3 | 0 | 0 | 0 | 110.4 | L134 N138 | L134-L136 PolarHBondContact O-N 3.06Å; L136-N138 VanDerWaalsContact C-N 3.29Å; L136-N138 PolarHBondContact O-N 2.92Å |
| 137 | D | 78.1 | Confident | 65.4 | Low | 94 Ų | 94 | 145.5 Ų | 145.5 | 50% | 0.503 | 74% | 0.743 | S | S | . | * | | | trans | -67.4 | 93.9 | 171 | 56.4 | -31.2 | 0 | 0 | 0 | 108.5 | Q139 | D137-Q139 WeakPolarHBondContact O-CG 3.37Å; D137-Q139 PolarHBondContact O-N 3.19Å; D137-Q139 PolarHBondContact OD2-NE2 2.99Å |
| 138 | N | 69.5 | Low | 65.3 | Low | 146 Ų | 146 | 153.2 Ų | 153.2 | 78% | 0.781 | 76% | 0.763 | S | S | * | * | | | trans | -59.7 | 102.4 | 175.3 | -81.5 | -25.7 | 0 | 0 | 0 | 109.8 | L136 Y140 | L136-N138 VanDerWaalsContact C-N 3.29Å; L136-N138 PolarHBondContact O-N 2.92Å; N138-Y140 PolarHBondContact O-N 3.24Å; N138-Y140 VanDerWaalsContact O-N 3.09Å |
| 139 | Q | 70.3 | Confident | 65.1 | Low | 139 Ų | 139 | 150.5 Ų | 150.5 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | 6.5 | -178.7 | -58.8 | -66.4 | 5.6 | 0 | 0 | 114.5 | D137 | D137-Q139 WeakPolarHBondContact O-CG 3.37Å; D137-Q139 PolarHBondContact O-N 3.19Å; D137-Q139 PolarHBondContact OD2-NE2 2.99Å |
| 140 | Y | 65.1 | Low | 64.6 | Low | 212 Ų | 212 | 152.6 Ų | 152.6 | 83% | 0.831 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.2 | 25.3 | -169.4 | -68.2 | -78.9 | 0 | 0 | 0 | 114.9 | N138 V142 | N138-Y140 PolarHBondContact O-N 3.24Å; N138-Y140 VanDerWaalsContact O-N 3.09Å; Y140-V142 PolarHBondContact O-N 3.17Å |
| 141 | A | 64 | Low | 64.3 | Low | 89 Ų | 89 | 151 Ų | 151 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | | | trans | -70.8 | 18.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L143 | A141-L143 VanDerWaalsContact C-N 3.32Å; A141-L143 PolarHBondContact O-N 3.28Å; A141-L143 VanDerWaalsContact O-N 3.08Å |
| 142 | V | 61.2 | Low | 63.3 | Low | 128 Ų | 128 | 155.4 Ų | 155.4 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | | | trans | -89.2 | 59.9 | -174.4 | -172.1 | 0 | 0 | 0 | 0 | 111.2 | Y140 | Y140-V142 PolarHBondContact O-N 3.17Š|
| 143 | L | 63.5 | Low | 61.9 | Low | 152 Ų | 152 | 158 Ų | 158 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | | | trans | -139.2 | 41.5 | 167.5 | -71.6 | 177.8 | 0 | 0 | 0 | 111.9 | A141 | A141-L143 VanDerWaalsContact C-N 3.32Å; A141-L143 PolarHBondContact O-N 3.28Å; A141-L143 VanDerWaalsContact O-N 3.08Å |
| 144 | E | 62.8 | Low | 60.3 | Low | 168 Ų | 168 | 158.2 Ų | 158.2 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -100.3 | -20.2 | 169.8 | -170.4 | 173 | 152.7 | 0 | 0 | 113.2 | | |
| 145 | N | 58.9 | Low | 59.5 | Low | 152 Ų | 152 | 159.2 Ų | 159.2 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | | | trans | -113.6 | 41.2 | -166.5 | -65.1 | -30.8 | 0 | 0 | 0 | 115.6 | | |
| 146 | Q | 54.8 | Low | 58.6 | Low | 174 Ų | 174 | 158.9 Ų | 158.9 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | | | trans | -112.1 | 21.8 | 169.8 | -74 | -164.8 | 18.2 | 0 | 0 | 114.3 | | |
| 147 | K | 57.2 | Low | 57.6 | Low | 184 Ų | 184 | 159.7 Ų | 159.7 | 80% | 0.8 | 81% | 0.813 | S | S | * | * | | | trans | -104.2 | 76 | 166.1 | -63.4 | -69.3 | -174.2 | 177.1 | 0 | 108.2 | | |
| 148 | Y | 54.2 | Low | 56.4 | Low | 229 Ų | 229 | 163.6 Ų | 163.6 | 90% | 0.898 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -175.4 | 135.1 | 149.1 | -96.7 | -69.5 | 0 | 0 | 0 | 110.1 | | |
| 149 | S | 52.2 | Low | 55.6 | Low | 116 Ų | 116 | 164.7 Ų | 164.7 | 81% | 0.811 | 83% | 0.834 | S | S | * | * | | | trans | 72.7 | 77.7 | 168 | 63 | 0 | 0 | 0 | 0 | 119.9 | | |
| 150 | H | 48.7 | Very low | 54.6 | Low | 186 Ų | 186 | 166.4 Ų | 166.4 | 86% | 0.861 | 85% | 0.846 | S | S | * | * | | | trans | -140 | 79.7 | 134.5 | -157.2 | 73.2 | 0 | 0 | 0 | 110.4 | | |
| 151 | T | 52.9 | Low | 53.9 | Low | 114 Ų | 114 | 163.1 Ų | 163.1 | 70% | 0.699 | 85% | 0.848 | S | S | * | * | | | trans | -142.2 | 95 | 160.6 | -40.8 | 0 | 0 | 0 | 0 | 106.8 | Y153 | T151-Y153 HydrophobicContact CG2-CD2 4.49Š|
| 152 | Q | 45.2 | Very low | 53.1 | Low | 181 Ų | 181 | 168.8 Ų | 168.8 | 85% | 0.846 | 86% | 0.856 | S | S | * | * | | | trans | -129.9 | 98.2 | 159.1 | -75 | -69 | -15.5 | 0 | 0 | 106 | | |
| 153 | Y | 39.4 | Very low | 52.4 | Low | 209 Ų | 209 | 172.3 Ų | 172.3 | 82% | 0.82 | 86% | 0.863 | S | S | * | * | | | trans | -85.8 | 119.4 | 158.6 | -96.2 | -91.4 | 0 | 0 | 0 | 107.2 | T151 | T151-Y153 HydrophobicContact CG2-CD2 4.49Š|
| 154 | S | 39.2 | Very low | 51.4 | Low | 202 Ų | 202 | 174.1 Ų | 174.1 | 100% | 1.413 | 87% | 0.869 | S | S | * | * | | | trans | 171.5 | 0 | 137.6 | -78.6 | 0 | 0 | 0 | 0 | 109.6 | | |