| 1 | F | 48.4 | Very low | 55.1 | Low | 273 Ų | 273 | 148.2 Ų | 148.2 | 100% | 1.197 | 81% | 0.808 | S | S | * | * | | | | 0 | 118.4 | 0 | -85.6 | -96.9 | 0 | 0 | 0 | 108.1 | | |
| 2 | S | 44.9 | Very low | 55.4 | Low | 117 Ų | 117 | 151.3 Ų | 151.3 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | trans | -113.4 | 139.7 | 174.4 | -143 | 0 | 0 | 0 | 0 | 108.1 | | |
| 3 | P | 59.8 | Low | 55.6 | Low | 109 Ų | 109 | 154 Ų | 154 | 71% | 0.708 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 150.4 | 173.2 | 32.2 | -33.5 | 0 | 0 | 0 | 110.8 | | |
| 4 | P | 61.1 | Low | 55.7 | Low | 119 Ų | 119 | 154.1 Ų | 154.1 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 142.4 | 173.7 | 31.9 | -33.5 | 0 | 0 | 0 | 111 | | |
| 5 | V | 57 | Low | 56 | Low | 131 Ų | 131 | 155.7 Ų | 155.7 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -86 | 117.9 | 173.5 | -169.8 | 0 | 0 | 0 | 0 | 108.5 | C7 | V5-C7 PolarHBondContact O-N 3.39Š|
| 6 | L | 59.4 | Low | 55.9 | Low | 140 Ų | 140 | 154.8 Ų | 154.8 | 73% | 0.733 | 81% | 0.814 | S | S | * | * | | | trans | -85.9 | 103.5 | 173 | -75.8 | 172.4 | 0 | 0 | 0 | 110 | F8 | L6-F8 HydrophobicContact CB-CE2 4.28Å; L6-F8 PolarHBondContact O-N 3.23Å |
| 7 | C | 56.1 | Low | 55.6 | Low | 114 Ų | 114 | 149.8 Ų | 149.8 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | | | trans | -75.2 | 101.9 | 171.2 | -63.2 | 0 | 0 | 0 | 0 | 110.3 | V5 H9 | V5-C7 PolarHBondContact O-N 3.39Å; C7-H9 PolarHBondContact O-N 3.37Å |
| 8 | F | 57.6 | Low | 55.6 | Low | 184 Ų | 184 | 148.8 Ų | 148.8 | 81% | 0.807 | 81% | 0.809 | S | S | * | * | | | trans | -79.4 | 110 | 167.7 | -83.1 | -86 | 0 | 0 | 0 | 110.4 | L6 H10 | L6-F8 HydrophobicContact CB-CE2 4.28Å; L6-F8 PolarHBondContact O-N 3.23Å; F8-H10 PolarHBondContact O-N 3.24Å |
| 9 | H | 52.3 | Low | 55.7 | Low | 179 Ų | 179 | 147.3 Ų | 147.3 | 83% | 0.829 | 81% | 0.807 | S | S | * | * | | | trans | -65 | 118.8 | 161.4 | -108.9 | -103.4 | 0 | 0 | 0 | 108.8 | C7 | C7-H9 PolarHBondContact O-N 3.37Š|
| 10 | H | 56.4 | Low | 55.5 | Low | 163 Ų | 163 | 144.4 Ų | 144.4 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | | | trans | -109.9 | 91.9 | 171.2 | -161 | 76.7 | 0 | 0 | 0 | 109.5 | F8 K12 | F8-H10 PolarHBondContact O-N 3.24Å; H10-K12 PolarHBondContact O-N 3.11Å; H10-K12 VanDerWaalsContact O-N 3.15Å |
| 11 | S | 52.6 | Low | 55.3 | Low | 101 Ų | 101 | 145.5 Ų | 145.5 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | | | trans | -68.6 | 105.7 | 171.8 | -56.2 | 0 | 0 | 0 | 0 | 109.1 | | |
| 12 | K | 59.6 | Low | 55.1 | Low | 186 Ų | 186 | 135.6 Ų | 135.6 | 81% | 0.809 | 78% | 0.783 | S | S | * | * | | | trans | -101 | 85.6 | 173.9 | -171.5 | 164.8 | 178.3 | 168.8 | 0 | 109.3 | H10 | H10-K12 PolarHBondContact O-N 3.11Å; H10-K12 VanDerWaalsContact O-N 3.15Å |
| 13 | E | 57.6 | Low | 55.3 | Low | 186 Ų | 186 | 137.9 Ų | 137.9 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | | | trans | -73.1 | 150.1 | 170.9 | -69.7 | -165.9 | 140.4 | 0 | 0 | 111.4 | | |
| 14 | M | 57.3 | Low | 54.8 | Low | 155 Ų | 155 | 141.6 Ų | 141.6 | 76% | 0.764 | 79% | 0.794 | S | S | * | * | | | trans | -86.8 | 142.8 | -175.2 | -60.7 | 151.6 | 48.9 | 0 | 0 | 110.8 | | |
| 15 | L | 60.4 | Low | 54.2 | Low | 178 Ų | 178 | 139.2 Ų | 139.2 | 93% | 0.932 | 78% | 0.784 | S | S | * | * | | | trans | -145.1 | 103.2 | 149.6 | -87 | -177.8 | 0 | 0 | 0 | 109.8 | | |
| 16 | D | 54.1 | Low | 54 | Low | 141 Ų | 141 | 140.5 Ų | 140.5 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | | | trans | -71.7 | 140.1 | 166.5 | -57.7 | -76 | 0 | 0 | 0 | 110 | | |
| 17 | G | 50.8 | Low | 53.6 | Low | 70 Ų | 70 | 141.1 Ų | 141.1 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | | | trans | -145.5 | 80 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | P19 | G17-P19 WeakPolarHBondContact O-CD 3.38Š|
| 18 | T | 54.6 | Low | 53.4 | Low | 133 Ų | 133 | 138.4 Ų | 138.4 | 82% | 0.816 | 78% | 0.78 | S | S | * | * | | | trans | -75.2 | 120.2 | 173.3 | -58.6 | 0 | 0 | 0 | 0 | 110.8 | A20 | T18-A20 PolarHBondContact O-N 3.16Š|
| 19 | P | 58.9 | Low | 53 | Low | 120 Ų | 120 | 137.1 Ų | 137.1 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | | | trans | -84 | 99.8 | 166.8 | 32.5 | -30 | 0 | 0 | 0 | 109.9 | G17 | G17-P19 WeakPolarHBondContact O-CD 3.38Š|
| 20 | A | 50.4 | Low | 53.3 | Low | 89 Ų | 89 | 134.8 Ų | 134.8 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | | | trans | -81.2 | 121.9 | 159.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | T18 | T18-A20 PolarHBondContact O-N 3.16Š|
| 21 | N | 52.8 | Low | 53 | Low | 167 Ų | 167 | 134 Ų | 134 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | | | trans | -143.6 | 140.1 | 163.2 | -107 | -16.3 | 0 | 0 | 0 | 106.8 | | |
| 22 | G | 44.2 | Very low | 52.9 | Low | 65 Ų | 65 | 136.3 Ų | 136.3 | 67% | 0.67 | 78% | 0.781 | S | S | * | * | | | cis | 131.3 | 89.1 | 17.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 23 | D | 48.5 | Very low | 52.7 | Low | 165 Ų | 165 | 133.1 Ų | 133.1 | 88% | 0.882 | 77% | 0.773 | S | S | * | * | | | trans | -61.8 | 130.6 | -174.7 | -169.1 | 10.1 | 0 | 0 | 0 | 112.1 | | |
| 24 | E | 48.4 | Very low | 52.3 | Low | 187 Ų | 187 | 131 Ų | 131 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | | | trans | -152.6 | 115.6 | 159 | -151.8 | 165.8 | 122.9 | 0 | 0 | 115.3 | | |
| 25 | A | 50.1 | Low | 52.2 | Low | 70 Ų | 70 | 129.3 Ų | 129.3 | 58% | 0.579 | 77% | 0.768 | S | S | * | * | | | trans | 36.8 | 98.8 | 147.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | I27 | A25-I27 HydrophobicContact CB-CG1 4.45Å; A25-I27 PolarHBondContact O-N 3.46Å |
| 26 | N | 51.7 | Low | 51.6 | Low | 157 Ų | 157 | 128.8 Ų | 128.8 | 84% | 0.84 | 76% | 0.764 | S | S | * | * | | | trans | -77 | 104.5 | 151.5 | -178.5 | -24.5 | 0 | 0 | 0 | 110 | G28 | N26-G28 PolarHBondContact OD1-N 3.05Š|
| 27 | I | 50.3 | Low | 51.6 | Low | 154 Ų | 154 | 127.3 Ų | 127.3 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | | | trans | -113 | 91.6 | 165.1 | -58.3 | -179.4 | 0 | 0 | 0 | 108.6 | A25 N29 | A25-I27 HydrophobicContact CB-CG1 4.45Å; A25-I27 PolarHBondContact O-N 3.46Å; I27-N29 PolarHBondContact O-N 2.97Å |
| 28 | G | 52.2 | Low | 51.1 | Low | 56 Ų | 56 | 129.1 Ų | 129.1 | 58% | 0.577 | 76% | 0.764 | S | S | * | * | | | trans | -61.2 | 119.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | N26 V30 | N26-G28 PolarHBondContact OD1-N 3.05Å; G28-V30 PolarHBondContact O-N 3.03Å |
| 29 | N | 49.2 | Very low | 50.5 | Low | 158 Ų | 158 | 128.7 Ų | 128.7 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | | | trans | -59.6 | 114.3 | 178.4 | -178.9 | 57.9 | 0 | 0 | 0 | 112.4 | I27 E31 | I27-N29 PolarHBondContact O-N 2.97Å; N29-E31 PolarHBondContact O-N 3.49Å |
| 30 | V | 59.4 | Low | 50 | Low | 129 Ų | 129 | 132.9 Ų | 132.9 | 78% | 0.782 | 77% | 0.771 | S | S | * | * | | | trans | -80.8 | 117.3 | 174.1 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | G28 N32 | G28-V30 PolarHBondContact O-N 3.03Å; V30-N32 PolarHBondContact O-N 3.35Å |
| 31 | E | 50.2 | Low | 49.6 | Very low | 147 Ų | 147 | 134.4 Ų | 134.4 | 69% | 0.687 | 77% | 0.771 | S | S | * | * | | | trans | -26.6 | 114.6 | 164.1 | -171.1 | -179.5 | 154 | 0 | 0 | 115.8 | N29 N33 | N29-E31 PolarHBondContact O-N 3.49Å; E31-N33 HydrophobicContact CG-CB 4.42Å; E31-N33 PolarHBondContact OE1-ND2 3.09Å |
| 32 | N | 50.8 | Low | 49.8 | Very low | 149 Ų | 149 | 136.3 Ų | 136.3 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | | | trans | -108.1 | 87.6 | 165 | -177.1 | 13.8 | 0 | 0 | 0 | 110.1 | V30 | V30-N32 PolarHBondContact O-N 3.35Š|
| 33 | N | 55.2 | Low | 50 | Low | 120 Ų | 120 | 142.1 Ų | 142.1 | 64% | 0.642 | 78% | 0.781 | S | S | * | * | | | trans | -94.5 | 114.7 | 171.3 | -103.3 | -48.5 | 0 | 0 | 0 | 109.9 | E31 | E31-N33 HydrophobicContact CG-CB 4.42Å; E31-N33 PolarHBondContact OE1-ND2 3.09Å |
| 34 | N | 48.7 | Very low | 50 | Low | 141 Ų | 141 | 138.2 Ų | 138.2 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | | | trans | -155.5 | 118.3 | 161.8 | -101.3 | -44.2 | 0 | 0 | 0 | 112.1 | | |
| 35 | P | 55 | Low | 50.4 | Low | 120 Ų | 120 | 137.6 Ų | 137.6 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 128.6 | 175.3 | 32.2 | -32.1 | 0 | 0 | 0 | 111.7 | P37 | P35-P37 WeakPolarHBondContact O-CD 3.32Š|
| 36 | I | 47.4 | Very low | 50.9 | Low | 167 Ų | 167 | 142 Ų | 142 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 123.4 | 173.3 | -60.3 | 171 | 0 | 0 | 0 | 109.7 | | |
| 37 | P | 55.3 | Low | 51.3 | Low | 109 Ų | 109 | 144.2 Ų | 144.2 | 71% | 0.708 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 170.5 | 172.9 | 36.2 | -33.6 | 0 | 0 | 0 | 113.3 | P35 | P35-P37 WeakPolarHBondContact O-CD 3.32Š|
| 38 | S | 40.5 | Very low | 51.3 | Low | 109 Ų | 109 | 146.5 Ų | 146.5 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | | | trans | 87 | 101.7 | 179 | 79.6 | 0 | 0 | 0 | 0 | 115.4 | | |
| 39 | C | 42 | Very low | 51 | Low | 123 Ų | 123 | 147.4 Ų | 147.4 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | | | | 66 | 86 | 64.7 | -61.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 40 | K | 48 | Very low | 51.1 | Low | 208 Ų | 208 | 145.2 Ų | 145.2 | 90% | 0.904 | 80% | 0.799 | S | S | * | * | | | trans | -128.6 | 104.5 | 147.8 | -72.6 | -171.3 | 179.8 | 173.6 | 0 | 110.6 | K42 | K40-K42 PolarHBondContact O-N 3.42Š|
| 41 | T | 41.8 | Very low | 51.2 | Low | 122 Ų | 122 | 150.9 Ų | 150.9 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | | | trans | -57 | 125.9 | -179.5 | -52.7 | 0 | 0 | 0 | 0 | 112.3 | Q43 | T41-Q43 HydrophobicContact CG2-CG 4.07Š|
| 42 | K | 56.3 | Low | 51.9 | Low | 206 Ų | 206 | 153.3 Ų | 153.3 | 90% | 0.896 | 82% | 0.815 | S | S | * | * | | | trans | -106.1 | 110.7 | 155 | -74.4 | -174.9 | 177.7 | 179.2 | 0 | 108.1 | K40 A44 | K40-K42 PolarHBondContact O-N 3.42Å; K42-A44 PolarHBondContact O-N 3.36Å |
| 43 | Q | 49.3 | Very low | 51.6 | Low | 187 Ų | 187 | 152.4 Ų | 152.4 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | | | trans | -70.3 | 124.3 | 172.9 | -64.9 | -173.4 | 9 | 0 | 0 | 109.2 | T41 | T41-Q43 HydrophobicContact CG2-CG 4.07Š|
| 44 | A | 49 | Very low | 51.3 | Low | 83 Ų | 83 | 154.5 Ų | 154.5 | 69% | 0.686 | 83% | 0.827 | S | S | * | * | | | trans | -120.3 | 106 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | K42 L46 | K42-A44 PolarHBondContact O-N 3.36Å; A44-L46 PolarHBondContact O-N 3.33Å |
| 45 | L | 55.1 | Low | 51.6 | Low | 175 Ų | 175 | 155.5 Ų | 155.5 | 92% | 0.916 | 83% | 0.832 | S | S | * | * | | | trans | -71.6 | 84.8 | -177.7 | -179.9 | 64.7 | 0 | 0 | 0 | 110.5 | | |
| 46 | L | 61.8 | Low | 51.3 | Low | 162 Ų | 162 | 158 Ų | 158 | 85% | 0.848 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 126.2 | 173 | -66.7 | -178.3 | 0 | 0 | 0 | 111.2 | A44 | A44-L46 PolarHBondContact O-N 3.33Š|
| 47 | K | 60 | Low | 51.2 | Low | 204 Ų | 204 | 157.8 Ų | 157.8 | 89% | 0.887 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 124.4 | -164.6 | -163.3 | 162.7 | -179.5 | 170.9 | 0 | 111 | G49 | K47-G49 PolarHBondContact O-N 3.29Š|
| 48 | K | 49.8 | Very low | 50.8 | Low | 202 Ų | 202 | 162 Ų | 162 | 88% | 0.878 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 120.7 | 175.3 | -82.4 | -178.4 | 174.5 | 177.8 | 0 | 111.1 | | |
| 49 | G | 46.3 | Very low | 51.9 | Low | 74 Ų | 74 | 165.4 Ų | 165.4 | 76% | 0.763 | 84% | 0.839 | S | S | * | * | | | trans | -116.8 | 82.8 | 170 | 0 | 0 | 0 | 0 | 0 | 111.1 | K47 R51 | K47-G49 PolarHBondContact O-N 3.29Å; G49-R51 PolarHBondContact O-N 3.13Å |
| 50 | S | 50.5 | Low | 52.6 | Low | 112 Ų | 112 | 165.2 Ų | 165.2 | 78% | 0.783 | 84% | 0.836 | S | S | * | * | | | trans | -71.1 | 115.9 | -179.5 | -54.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 51 | R | 61.2 | Low | 53.2 | Low | 248 Ų | 248 | 161.4 Ų | 161.4 | 94% | 0.936 | 83% | 0.833 | S | S | * | * | | | trans | -135.7 | 145.4 | 159.3 | -66.6 | -167.1 | -177.4 | -158.2 | 0.9 | 110.5 | G49 | G49-R51 PolarHBondContact O-N 3.13Š|
| 52 | K | 65.3 | Low | 53.7 | Low | 198 Ų | 198 | 166.6 Ų | 166.6 | 86% | 0.861 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 150.2 | -160.1 | -53.1 | 173.7 | -177.5 | 179.7 | 0 | 112 | L54 | K52-L54 PolarHBondContact O-N 3.38Š|
| 53 | P | 46.2 | Very low | 53.1 | Low | 131 Ų | 131 | 164.9 Ų | 164.9 | 85% | 0.851 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 117.9 | 164 | 31 | -30.7 | 0 | 0 | 0 | 109.2 | | |
| 54 | L | 48.7 | Very low | 52.8 | Low | 163 Ų | 163 | 161.5 Ų | 161.5 | 85% | 0.853 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 126 | 168.4 | -166.9 | 74.3 | 0 | 0 | 0 | 108.5 | K52 H56 | K52-L54 PolarHBondContact O-N 3.38Å; L54-H56 PolarHBondContact O-N 3.33Å |
| 55 | L | 53.6 | Low | 53.1 | Low | 163 Ų | 163 | 162.5 Ų | 162.5 | 85% | 0.853 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 130.3 | 173.4 | -68.4 | 163.6 | 0 | 0 | 0 | 110.1 | | |
| 56 | H | 48.6 | Very low | 52.7 | Low | 172 Ų | 172 | 162.1 Ų | 162.1 | 80% | 0.796 | 83% | 0.828 | S | S | * | * | | | trans | -132.9 | 132.4 | 165.1 | -145 | 68.9 | 0 | 0 | 0 | 110.9 | L54 Q58 | L54-H56 PolarHBondContact O-N 3.33Å; H56-Q58 PolarHBondContact O-N 3.09Å |
| 57 | H | 46.6 | Very low | 52.1 | Low | 163 Ų | 163 | 161.5 Ų | 161.5 | 76% | 0.755 | 82% | 0.824 | S | S | * | * | | | trans | -69.6 | 118.7 | -169.3 | -61.7 | -89.9 | 0 | 0 | 0 | 111.7 | K59 | H57-K59 PolarHBondContact O-N 3.41Š|
| 58 | Q | 47 | Very low | 51.6 | Low | 198 Ų | 198 | 162.5 Ų | 162.5 | 93% | 0.925 | 82% | 0.822 | S | S | * | * | | | trans | -79.1 | 112.5 | 160.4 | -69.6 | -157.4 | 44.6 | 0 | 0 | 109.6 | H56 | H56-Q58 PolarHBondContact O-N 3.09Š|
| 59 | K | 62.2 | Low | 51.4 | Low | 180 Ų | 180 | 160.1 Ų | 160.1 | 78% | 0.783 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 134.5 | 160.5 | -68.2 | 178.1 | 179.4 | 175.5 | 0 | 107.7 | H57 P61 | H57-K59 PolarHBondContact O-N 3.41Å; K59-P61 WeakPolarHBondContact O-CD 3.41Å |
| 60 | P | 58.1 | Low | 51.3 | Low | 118 Ų | 118 | 160.4 Ų | 160.4 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 126.8 | 178 | 28.4 | -33.1 | 0 | 0 | 0 | 111.1 | | |
| 61 | P | 59.8 | Low | 50.9 | Low | 128 Ų | 128 | 162.5 Ų | 162.5 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 138.6 | 169.6 | -18.7 | 33.4 | 0 | 0 | 0 | 110.8 | K59 | K59-P61 WeakPolarHBondContact O-CD 3.41Š|
| 62 | R | 52.7 | Low | 50.3 | Low | 231 Ų | 231 | 159.2 Ų | 159.2 | 87% | 0.872 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 145.7 | -175.2 | -53.6 | -177.7 | -158.5 | 160.8 | 5.5 | 111.9 | C64 | R62-C64 PolarHBondContact O-N 3.4Š|
| 63 | H | 43.7 | Very low | 49.6 | Very low | 171 Ų | 171 | 157.8 Ų | 157.8 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | | | trans | -24.6 | 115.4 | 154.9 | 179.2 | -71.6 | 0 | 0 | 0 | 115.3 | | |
| 64 | C | 42.9 | Very low | 49.7 | Very low | 116 Ų | 116 | 158.2 Ų | 158.2 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | | | trans | -116.9 | 127.3 | 163.4 | -71.1 | 0 | 0 | 0 | 0 | 109 | R62 | R62-C64 PolarHBondContact O-N 3.4Š|
| 65 | P | 56.1 | Low | 49.6 | Very low | 103 Ų | 103 | 155 Ų | 155 | 67% | 0.669 | 80% | 0.8 | S | S | * | * | | | trans | -73.1 | 139.6 | 175.2 | 30.3 | -33.2 | 0 | 0 | 0 | 111 | I67 | P65-I67 PolarHBondContact O-N 3.33Š|
| 66 | N | 46.2 | Very low | 49.2 | Very low | 168 Ų | 168 | 151.7 Ų | 151.7 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | | | trans | -62.4 | 124.2 | 175.7 | -101.7 | -45.1 | 0 | 0 | 0 | 111.1 | R68 | N66-R68 PolarHBondContact O-N 3.47Š|
| 67 | I | 47.8 | Very low | 48.7 | Very low | 149 Ų | 149 | 149.2 Ų | 149.2 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | | | trans | -73 | 112.5 | 169.6 | -64.2 | 170.8 | 0 | 0 | 0 | 107.5 | P65 L69 | P65-I67 PolarHBondContact O-N 3.33Å; I67-L69 PolarHBondContact O-N 3.33Å; I67-L69 VanDerWaalsContact O-N 3.13Å |
| 68 | R | 51.2 | Low | 48.6 | Very low | 224 Ų | 224 | 148.5 Ų | 148.5 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | | | trans | -66.6 | 108.2 | 169 | -89.2 | -173.7 | 168.5 | -178.6 | -3.1 | 109.2 | N66 S70 | N66-R68 PolarHBondContact O-N 3.47Å; R68-S70 PolarHBondContact O-N 3.01Å |
| 69 | L | 44.1 | Very low | 48.2 | Very low | 152 Ų | 152 | 143.5 Ų | 143.5 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | | | trans | -77.8 | 105.9 | 157.4 | -66.1 | 173.1 | 0 | 0 | 0 | 107.5 | I67 | I67-L69 PolarHBondContact O-N 3.33Å; I67-L69 VanDerWaalsContact O-N 3.13Å |
| 70 | S | 45.6 | Very low | 47.1 | Very low | 81 Ų | 81 | 142.5 Ų | 142.5 | 57% | 0.566 | 80% | 0.799 | S | S | * | * | | | trans | -111.8 | 88.9 | 169.5 | -65.2 | 0 | 0 | 0 | 0 | 107.9 | R68 H72 | R68-S70 PolarHBondContact O-N 3.01Å; S70-H72 PolarHBondContact O-N 3.24Å; S70-H72 VanDerWaalsContact O-N 3.09Å; S70-H72 PolarHBondContact O-ND1 3.16Å |
| 71 | D | 41.9 | Very low | 46.2 | Very low | 155 Ų | 155 | 144.5 Ų | 144.5 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | | | trans | -63.1 | 112.4 | 178.5 | -78.7 | -50.1 | 0 | 0 | 0 | 110.7 | | |
| 72 | H | 47.6 | Very low | 44.9 | Very low | 180 Ų | 180 | 145.2 Ų | 145.2 | 83% | 0.833 | 81% | 0.805 | S | S | * | * | | | trans | -86.7 | 102 | 165.1 | -70.7 | 16.1 | 0 | 0 | 0 | 107.9 | S70 | S70-H72 PolarHBondContact O-N 3.24Å; S70-H72 VanDerWaalsContact O-N 3.09Å; S70-H72 PolarHBondContact O-ND1 3.16Å |
| 73 | N | 51.5 | Low | 44.2 | Very low | 167 Ų | 167 | 139 Ų | 139 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | | | trans | -92.9 | 119.1 | 165.8 | -161.4 | -0.9 | 0 | 0 | 0 | 109.4 | | |
| 74 | N | 47.3 | Very low | 43.7 | Very low | 140 Ų | 140 | 136.7 Ų | 136.7 | 75% | 0.749 | 81% | 0.806 | S | S | * | * | | | trans | -107.7 | 153 | -170.3 | -167 | 6.1 | 0 | 0 | 0 | 111 | A76 | N74-A76 PolarHBondContact O-N 2.92Š|
| 75 | A | 47.3 | Very low | 43.4 | Very low | 96 Ų | 96 | 136.5 Ų | 136.5 | 79% | 0.793 | 81% | 0.806 | S | S | * | * | | | trans | -66 | 129.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 76 | A | 44.8 | Very low | 42.5 | Very low | 93 Ų | 93 | 134.8 Ų | 134.8 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | | | trans | -154.7 | 66.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | N74 | N74-A76 PolarHBondContact O-N 2.92Š|
| 77 | S | 38.8 | Very low | 41.9 | Very low | 120 Ų | 120 | 134.9 Ų | 134.9 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | | | trans | -143.1 | 48.4 | 174.9 | -64.6 | 0 | 0 | 0 | 0 | 113.2 | | |
| 78 | T | 44.3 | Very low | 41.5 | Very low | 149 Ų | 149 | 139.2 Ų | 139.2 | 91% | 0.914 | 81% | 0.808 | S | S | * | * | | | trans | -144 | 73.3 | 173.1 | 24.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 79 | A | 38.8 | Very low | 40.7 | Very low | 93 Ų | 93 | 137.4 Ų | 137.4 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | | | trans | -159 | 153.9 | 159.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 80 | I | 38.4 | Very low | 40.3 | Very low | 158 Ų | 158 | 135.8 Ų | 135.8 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | | | trans | 73.8 | 85.4 | 171.9 | -44.2 | -166.3 | 0 | 0 | 0 | 115.3 | | |
| 81 | L | 38.6 | Very low | 39.8 | Very low | 161 Ų | 161 | 135.6 Ų | 135.6 | 84% | 0.843 | 81% | 0.813 | S | S | * | * | | | | -160.9 | 97.6 | 116.3 | -91.4 | -171 | 0 | 0 | 0 | 109.2 | | |
| 82 | T | 34.1 | Very low | 39.6 | Very low | 142 Ų | 142 | 137.3 Ų | 137.3 | 87% | 0.871 | 82% | 0.816 | S | S | * | * | | | trans | -144.7 | 74.9 | 166.6 | -47 | 0 | 0 | 0 | 0 | 109.3 | | |
| 83 | A | 37 | Very low | 38.9 | Very low | 101 Ų | 101 | 134.9 Ų | 134.9 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | | | trans | -89.4 | 105.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | S85 | A83-S85 PolarHBondContact O-N 3.25Š|
| 84 | S | 33.3 | Very low | 38.1 | Very low | 122 Ų | 122 | 131.1 Ų | 131.1 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 119.3 | 175.8 | -175.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 85 | S | 37.7 | Very low | 37.6 | Very low | 113 Ų | 113 | 129 Ų | 129 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 117.1 | 172.1 | 179.6 | 0 | 0 | 0 | 0 | 109.7 | A83 | A83-S85 PolarHBondContact O-N 3.25Š|
| 86 | G | 35.3 | Very low | 37 | Very low | 66 Ų | 66 | 133.6 Ų | 133.6 | 68% | 0.68 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -83 | 126 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 87 | H | 35.3 | Very low | 36.7 | Very low | 171 Ų | 171 | 136.2 Ų | 136.2 | 79% | 0.792 | 82% | 0.819 | S | S | * | * | | | trans | -132.6 | 129.2 | 158.1 | -111.2 | 43.9 | 0 | 0 | 0 | 110.4 | | |
| 88 | R | 37.8 | Very low | 37.5 | Very low | 240 Ų | 240 | 135.9 Ų | 135.9 | 91% | 0.906 | 81% | 0.814 | S | S | * | * | | | trans | -92.5 | 130.6 | 170.9 | -43.3 | -175.1 | -155.1 | -151.4 | 8.5 | 107.8 | | |
| 89 | H | 35.7 | Very low | 37.1 | Very low | 186 Ų | 186 | 133.9 Ų | 133.9 | 86% | 0.861 | 81% | 0.813 | S | S | * | * | | | trans | -139 | 154.8 | 145.5 | -80.6 | -70.3 | 0 | 0 | 0 | 109.2 | | |
| 90 | S | 34.4 | Very low | 36.8 | Very low | 118 Ų | 118 | 132.4 Ų | 132.4 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | | | trans | -120.4 | 162.3 | -164.7 | -174.9 | 0 | 0 | 0 | 0 | 111.3 | | |
| 91 | A | 35.1 | Very low | 37 | Very low | 76 Ų | 76 | 132.2 Ų | 132.2 | 63% | 0.628 | 81% | 0.807 | S | S | * | * | | | trans | 83.6 | 113.4 | 160.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 92 | Q | 39 | Very low | 37.3 | Very low | 191 Ų | 191 | 132.8 Ų | 132.8 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | | | | 60.7 | 119.5 | 126.2 | -61.4 | 174.8 | -13.9 | 0 | 0 | 120.2 | | |
| 93 | S | 32.6 | Very low | 37.8 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | | | | -170.3 | 178.6 | 92.8 | -160.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 94 | A | 34 | Very low | 38.1 | Very low | 88 Ų | 88 | 133 Ų | 133 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | trans | -103.3 | 161.6 | -162.1 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 95 | A | 38.1 | Very low | 38.9 | Very low | 96 Ų | 96 | 135.2 Ų | 135.2 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | | | trans | 55.3 | 112.8 | 151.8 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 96 | H | 34.8 | Very low | 39.1 | Very low | 191 Ų | 191 | 134.9 Ų | 134.9 | 88% | 0.884 | 79% | 0.791 | S | S | * | * | | | | -166.7 | 151.7 | 104 | -142.1 | -99.2 | 0 | 0 | 0 | 111.5 | | |
| 97 | L | 38.4 | Very low | 39.5 | Very low | 148 Ų | 148 | 139.2 Ų | 139.2 | 78% | 0.775 | 80% | 0.797 | S | S | * | * | | | trans | -109.2 | -176.2 | 168.9 | -86.2 | 175.3 | 0 | 0 | 0 | 108.9 | | |
| 98 | P | 55.4 | Low | 39.9 | Very low | 114 Ų | 114 | 139.1 Ų | 139.1 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | | | cis | -125.6 | -178.7 | -29.5 | 29.1 | -9.6 | 0 | 0 | 0 | 111.9 | | |
| 99 | A | 34.5 | Very low | 40.1 | Very low | 107 Ų | 107 | 136 Ų | 136 | 88% | 0.884 | 79% | 0.792 | S | S | * | * | | | | 152 | 148.7 | 126.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 100 | G | 34.3 | Very low | 40.5 | Very low | 61 Ų | 61 | 133 Ų | 133 | 63% | 0.629 | 79% | 0.787 | S | S | * | * | | | trans | 108 | 65.3 | 157.1 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 101 | N | 41 | Very low | 41 | Very low | 154 Ų | 154 | 136.9 Ų | 136.9 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | | | | 45.5 | 111.4 | 127.4 | -51.9 | -5.5 | 0 | 0 | 0 | 119 | | |
| 102 | Q | 44.6 | Very low | 41.7 | Very low | 174 Ų | 174 | 141.9 Ų | 141.9 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | | | | 167.5 | 153.2 | 99.9 | -82 | -124 | 74.1 | 0 | 0 | 116.2 | | |
| 103 | T | 45.7 | Very low | 41.7 | Very low | 123 Ų | 123 | 135.9 Ų | 135.9 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | | | trans | 58.9 | 93.7 | 157 | 49.2 | 0 | 0 | 0 | 0 | 120 | | |
| 104 | V | 44.1 | Very low | 42.1 | Very low | 123 Ų | 123 | 134.2 Ų | 134.2 | 75% | 0.745 | 78% | 0.783 | S | S | * | * | | | trans | -56.7 | 125.4 | 149.6 | 172.7 | 0 | 0 | 0 | 0 | 111 | | |
| 105 | L | 49.2 | Very low | 43 | Very low | 170 Ų | 170 | 140.1 Ų | 140.1 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | | | trans | -140.5 | 91.8 | 147.4 | -82.1 | -175.4 | 0 | 0 | 0 | 109.7 | L107 | L105-L107 PolarHBondContact O-N 3.45Å; L105-L107 VanDerWaalsContact O-N 3.09Å |
| 106 | T | 42.5 | Very low | 43.6 | Very low | 106 Ų | 106 | 144.9 Ų | 144.9 | 65% | 0.65 | 80% | 0.795 | S | S | * | * | | | trans | -70.2 | 96.6 | 175.2 | -52.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 107 | L | 44 | Very low | 44.1 | Very low | 157 Ų | 157 | 144.2 Ų | 144.2 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | | | trans | -76.2 | 133.2 | 174.5 | -170.2 | 60.3 | 0 | 0 | 0 | 110.8 | L105 | L105-L107 PolarHBondContact O-N 3.45Å; L105-L107 VanDerWaalsContact O-N 3.09Å |
| 108 | H | 42.8 | Very low | 44.6 | Very low | 168 Ų | 168 | 142.6 Ų | 142.6 | 78% | 0.778 | 79% | 0.788 | S | S | * | * | | | trans | -72.5 | 131.7 | -164.4 | -72.1 | -116.2 | 0 | 0 | 0 | 114 | V110 | H108-V110 PolarHBondContact O-N 3.45Š|
| 109 | H | 43 | Very low | 44.4 | Very low | 174 Ų | 174 | 144.5 Ų | 144.5 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | | | trans | -68.4 | 95.2 | 167.2 | -40.2 | 93.8 | 0 | 0 | 0 | 110.5 | K111 | H109-K111 PolarHBondContact O-N 2.9Š|
| 110 | V | 43.4 | Very low | 45 | Very low | 125 Ų | 125 | 148.2 Ų | 148.2 | 76% | 0.758 | 79% | 0.788 | S | S | * | * | | | trans | -77.8 | 89 | 172.8 | 80.1 | 0 | 0 | 0 | 0 | 110.6 | H108 Q112 | H108-V110 PolarHBondContact O-N 3.45Å; V110-Q112 PolarHBondContact O-N 3.29Å; V110-Q112 VanDerWaalsContact O-N 3.11Å |
| 111 | K | 45.7 | Very low | 45.7 | Very low | 199 Ų | 199 | 151.3 Ų | 151.3 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | | | trans | -71.7 | 94.4 | 174.9 | 179.5 | -175.6 | 177.4 | -178 | 0 | 109.9 | H109 | H109-K111 PolarHBondContact O-N 2.9Š|
| 112 | Q | 47.9 | Very low | 45.7 | Very low | 180 Ų | 180 | 153.7 Ų | 153.7 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | | | trans | -91.4 | 110.9 | 165.6 | -71.1 | -164.2 | -5.6 | 0 | 0 | 110.4 | V110 | V110-Q112 PolarHBondContact O-N 3.29Å; V110-Q112 VanDerWaalsContact O-N 3.11Å |
| 113 | G | 39.7 | Very low | 45.4 | Very low | 66 Ų | 66 | 148.4 Ų | 148.4 | 68% | 0.68 | 79% | 0.792 | S | S | * | * | | | trans | -97.4 | 138.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 114 | A | 41.7 | Very low | 45 | Very low | 95 Ų | 95 | 149 Ų | 149 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | | | trans | 34.5 | 113.6 | 147.7 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 115 | K | 52.3 | Low | 44.8 | Very low | 212 Ų | 212 | 151.2 Ų | 151.2 | 92% | 0.922 | 80% | 0.798 | S | S | * | * | | | | -131.7 | 134.7 | 114.3 | -67 | -166.5 | 179.5 | 179.8 | 0 | 109.4 | | |
| 116 | K | 51.8 | Low | 44.3 | Very low | 195 Ų | 195 | 147.1 Ų | 147.1 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | | | trans | -98.3 | 117.9 | 170.6 | -65.9 | -171.5 | 179 | -173.7 | 0 | 107.7 | | |
| 117 | E | 45 | Very low | 44.3 | Very low | 178 Ų | 178 | 146.5 Ų | 146.5 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | | | trans | -101.5 | 118.7 | 159.7 | -71.9 | -146.8 | 113.5 | 0 | 0 | 109.7 | L119 | E117-L119 PolarHBondContact O-N 3.4Š|
| 118 | V | 47.7 | Very low | 44.1 | Very low | 113 Ų | 113 | 149.3 Ų | 149.3 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | | | trans | -90.7 | 89.3 | 178.4 | 178.2 | 0 | 0 | 0 | 0 | 108 | K120 | V118-K120 HydrophobicContact CG1-CG 4.33Š|
| 119 | L | 51.2 | Low | 44 | Very low | 154 Ų | 154 | 148.5 Ų | 148.5 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 121.1 | 164.2 | -66.1 | -178.5 | 0 | 0 | 0 | 109.1 | E117 P121 | E117-L119 PolarHBondContact O-N 3.4Å; L119-P121 WeakPolarHBondContact O-CD 3.5Å |
| 120 | K | 47.5 | Very low | 43.9 | Very low | 186 Ų | 186 | 147.8 Ų | 147.8 | 81% | 0.809 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 122.6 | -168.8 | -65 | -165.3 | 171.9 | -170.1 | 0 | 111.9 | V118 K122 | V118-K120 HydrophobicContact CG1-CG 4.33Å; K120-K122 PolarHBondContact O-N 3.01Å |
| 121 | P | 48.6 | Very low | 44.2 | Very low | 126 Ų | 126 | 147.1 Ų | 147.1 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 118.7 | 151.5 | 29.9 | -29.8 | 0 | 0 | 0 | 108.2 | L119 | L119-P121 WeakPolarHBondContact O-CD 3.5Š|
| 122 | K | 41 | Very low | 44 | Very low | 203 Ų | 203 | 148.8 Ų | 148.8 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 137 | 170.5 | -163.3 | 162.8 | 179.7 | 174.9 | 0 | 107.8 | K120 | K120-K122 PolarHBondContact O-N 3.01Š|
| 123 | G | 38.7 | Very low | 43.7 | Very low | 64 Ų | 64 | 147.7 Ų | 147.7 | 66% | 0.66 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -59 | 166.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 124 | V | 38 | Very low | 44 | Very low | 134 Ų | 134 | 150.9 Ų | 150.9 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | | | | -177.6 | 147.3 | 58.7 | 154 | 0 | 0 | 0 | 0 | 105.4 | | |
| 125 | Q | 39.2 | Very low | 44.4 | Very low | 171 Ų | 171 | 153.7 Ų | 153.7 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | | | cis | -149.7 | 173.2 | 18.4 | -148.6 | 171.9 | 105.4 | 0 | 0 | 111.8 | | |
| 126 | A | 38.5 | Very low | 44.2 | Very low | 84 Ų | 84 | 151.8 Ų | 151.8 | 69% | 0.694 | 78% | 0.778 | S | S | * | * | | | trans | -131.3 | 146.7 | 148.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 127 | P | 42.9 | Very low | 43.9 | Very low | 92 Ų | 92 | 146.4 Ų | 146.4 | 60% | 0.597 | 77% | 0.77 | S | S | * | * | | | | -158.4 | 179.3 | 77.5 | 42 | -21.4 | 0 | 0 | 0 | 117.7 | | |
| 128 | R | 40.7 | Very low | 44.2 | Very low | 217 Ų | 217 | 145.1 Ų | 145.1 | 82% | 0.819 | 76% | 0.764 | S | S | * | * | | | trans | 98 | 103.8 | 152.4 | -65.6 | 179.1 | -160.3 | 178.7 | 7.4 | 121 | | |
| 129 | L | 39.3 | Very low | 44 | Very low | 150 Ų | 150 | 146.6 Ų | 146.6 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | | | | 94.6 | 114.6 | 124.3 | -63.8 | 170.7 | 0 | 0 | 0 | 121.3 | | |
| 130 | L | 41.4 | Very low | 43.8 | Very low | 159 Ų | 159 | 143.7 Ų | 143.7 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | | | trans | 75 | 125.6 | 147.3 | -70.7 | 168.4 | 0 | 0 | 0 | 120.7 | | |
| 131 | P | 49.1 | Very low | 43.5 | Very low | 111 Ų | 111 | 141.9 Ų | 141.9 | 72% | 0.721 | 76% | 0.755 | S | S | * | * | | | trans | -95.8 | 139.6 | 166.2 | 36.2 | -29.4 | 0 | 0 | 0 | 111.7 | | |
| 132 | R | 42 | Very low | 43.5 | Very low | 234 Ų | 234 | 141.8 Ų | 141.8 | 88% | 0.883 | 75% | 0.752 | S | S | * | * | | | trans | 176.3 | 120.5 | 147.2 | -87.2 | -122.2 | 177.5 | 154.8 | 1.1 | 111.2 | | |
| 133 | H | 41.6 | Very low | 43.9 | Very low | 158 Ų | 158 | 143.2 Ų | 143.2 | 73% | 0.731 | 75% | 0.752 | S | S | * | * | | | trans | -161.6 | 111 | 136.1 | -168.7 | 4.2 | 0 | 0 | 0 | 109.6 | Q135 | H133-Q135 PolarHBondContact NE2-NE2 3.43Š|
| 134 | D | 47 | Very low | 44.3 | Very low | 133 Ų | 133 | 145.2 Ų | 145.2 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | | | trans | -67.8 | 132.6 | 164.8 | -68.5 | -79.5 | 0 | 0 | 0 | 110.2 | | |
| 135 | Q | 48.1 | Very low | 44.7 | Very low | 154 Ų | 154 | 146.8 Ų | 146.8 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | | | trans | -140.6 | 84.4 | 160.7 | -146.4 | 168.4 | 107.4 | 0 | 0 | 111.9 | H133 A137 | H133-Q135 PolarHBondContact NE2-NE2 3.43Å; Q135-A137 PolarHBondContact O-N 2.86Å |
| 136 | L | 49.3 | Very low | 45.2 | Very low | 172 Ų | 172 | 148.1 Ų | 148.1 | 90% | 0.901 | 76% | 0.757 | S | S | * | * | | | trans | -60.1 | 111.1 | 158.8 | 174.7 | 70.4 | 0 | 0 | 0 | 108.8 | | |
| 137 | A | 45.7 | Very low | 45.7 | Very low | 81 Ų | 81 | 149.6 Ų | 149.6 | 67% | 0.669 | 76% | 0.76 | S | S | * | * | | | trans | -124.2 | 85.1 | 174 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q135 N139 | Q135-A137 PolarHBondContact O-N 2.86Å; A137-N139 PolarHBondContact O-N 3.22Å; A137-N139 VanDerWaalsContact O-N 3.16Å |
| 138 | H | 50.9 | Low | 45.7 | Very low | 151 Ų | 151 | 155.4 Ų | 155.4 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | | | trans | -52.6 | 110.9 | 167.9 | 178.7 | 25.1 | 0 | 0 | 0 | 110.4 | V140 | H138-V140 WeakPolarHBondContact CE1-CG1 3.42Š|
| 139 | N | 44.4 | Very low | 45.6 | Very low | 145 Ų | 145 | 154 Ų | 154 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | | | trans | -92.7 | 119.5 | 164.7 | 83.7 | 71.3 | 0 | 0 | 0 | 109.6 | A137 | A137-N139 PolarHBondContact O-N 3.22Å; A137-N139 VanDerWaalsContact O-N 3.16Å |
| 140 | V | 45.3 | Very low | 45.8 | Very low | 92 Ų | 92 | 152.4 Ų | 152.4 | 56% | 0.558 | 78% | 0.78 | S | S | * | * | | | trans | -114.9 | 98.7 | 169 | -101.4 | 0 | 0 | 0 | 0 | 106.9 | H138 T142 | H138-V140 WeakPolarHBondContact CE1-CG1 3.42Å; V140-T142 VanDerWaalsContact C-N 3.29Å; V140-T142 PolarHBondContact O-N 2.84Å |
| 141 | N | 42.8 | Very low | 46 | Very low | 148 Ų | 148 | 154.2 Ų | 154.2 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | | | trans | -82.2 | 77 | 176.6 | -169.9 | 7.6 | 0 | 0 | 0 | 110.6 | | |
| 142 | T | 48.5 | Very low | 45.2 | Very low | 124 Ų | 124 | 154.5 Ų | 154.5 | 76% | 0.761 | 79% | 0.789 | S | S | * | * | | | trans | -112 | 65 | 173.3 | 46.2 | 0 | 0 | 0 | 0 | 111 | V140 S144 | V140-T142 VanDerWaalsContact C-N 3.29Å; V140-T142 PolarHBondContact O-N 2.84Å; T142-S144 PolarHBondContact O-N 3.23Å |
| 143 | R | 49.1 | Very low | 45.4 | Very low | 233 Ų | 233 | 149 Ų | 149 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | | | trans | -92.5 | 91.8 | 175.8 | -155.8 | 167 | -160.9 | -122.2 | 2.5 | 112.9 | | |
| 144 | S | 46 | Very low | 45.3 | Very low | 106 Ų | 106 | 146.3 Ų | 146.3 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | | | trans | -64.8 | 161 | 178 | -172.2 | 0 | 0 | 0 | 0 | 114.8 | T142 | T142-S144 PolarHBondContact O-N 3.23Š|
| 145 | H | 47.8 | Very low | 44.7 | Very low | 167 Ų | 167 | 145.1 Ų | 145.1 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | | | trans | -51.9 | 140.3 | 177.4 | -85.5 | -106.2 | 0 | 0 | 0 | 115.2 | | |
| 146 | K | 50 | Low | 44.5 | Very low | 199 Ų | 199 | 143.3 Ų | 143.3 | 87% | 0.865 | 80% | 0.801 | S | S | * | * | | | trans | -150.9 | 111.8 | 142.3 | -70.1 | -59.6 | 177.2 | 178.8 | 0 | 111.1 | | |
| 147 | P | 47.5 | Very low | 44.6 | Very low | 116 Ų | 116 | 140.9 Ų | 140.9 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | | | trans | -76.6 | 135.9 | 155.4 | 31.2 | -30 | 0 | 0 | 0 | 109.4 | | |
| 148 | K | 42.8 | Very low | 44.1 | Very low | 214 Ų | 214 | 143.1 Ų | 143.1 | 93% | 0.93 | 80% | 0.802 | S | S | * | * | | | trans | -90 | 111.3 | 172.2 | -79.1 | -172.8 | 174.4 | -176.1 | 0 | 109.8 | | |
| 149 | Q | 40 | Very low | 43.8 | Very low | 186 Ų | 186 | 140.3 Ų | 140.3 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 125.1 | 166.8 | -177 | 176.6 | -4 | 0 | 0 | 108.2 | | |
| 150 | S | 42.5 | Very low | 44.4 | Very low | 117 Ų | 117 | 143.4 Ų | 143.4 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 146.7 | 173.6 | 53.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 151 | Q | 46.3 | Very low | 44.6 | Very low | 198 Ų | 198 | 147.8 Ų | 147.8 | 93% | 0.925 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 146 | -171.8 | -61.9 | 172.3 | 4.3 | 0 | 0 | 112.1 | | |
| 152 | S | 32.5 | Very low | 44.8 | Very low | 116 Ų | 116 | 147.6 Ų | 147.6 | 81% | 0.811 | 82% | 0.822 | S | S | * | * | | | trans | -145.2 | 144.6 | 155 | -165.5 | 0 | 0 | 0 | 0 | 107.1 | | |
| 153 | P | 45.9 | Very low | 44.8 | Very low | 120 Ų | 120 | 146.9 Ų | 146.9 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | | | trans | -89.6 | 134.8 | -144.1 | 31.6 | -35.5 | 0 | 0 | 0 | 116.8 | | |
| 154 | A | 38.4 | Very low | 44.7 | Very low | 101 Ų | 101 | 143 Ų | 143 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | | | trans | 43.5 | 107 | 134 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 155 | A | 35.3 | Very low | 44.5 | Very low | 108 Ų | 108 | 144.1 Ų | 144.1 | 89% | 0.893 | 82% | 0.817 | S | S | * | * | | | trans | -152.4 | 119.2 | 131.2 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 156 | S | 43 | Very low | 44.6 | Very low | 115 Ų | 115 | 142.1 Ų | 142.1 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | | | trans | -150.6 | 143.2 | 160.6 | 61.2 | 0 | 0 | 0 | 0 | 106.7 | | |
| 157 | P | 51.2 | Low | 44.4 | Very low | 121 Ų | 121 | 138.6 Ų | 138.6 | 79% | 0.786 | 81% | 0.813 | S | S | * | * | | | | -142.9 | -166.3 | 81.3 | 33 | -9.5 | 0 | 0 | 0 | 110.7 | | |
| 158 | T | 36.9 | Very low | 44.2 | Very low | 128 Ų | 128 | 142.4 Ų | 142.4 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | | | cis | -146 | 164.9 | 15.2 | 43.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 159 | A | 44.6 | Very low | 44.3 | Very low | 93 Ų | 93 | 141.5 Ų | 141.5 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | | | trans | -54.5 | 152.4 | 176 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 160 | K | 56 | Low | 44.4 | Very low | 209 Ų | 209 | 139 Ų | 139 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | | | trans | -153 | 107.1 | 143.1 | -112.6 | 169.4 | -174 | 178.4 | 0 | 112.8 | | |
| 161 | K | 49.7 | Very low | 44.1 | Very low | 185 Ų | 185 | 138.8 Ų | 138.8 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | | | trans | -24.5 | 132.8 | 151.1 | 159.2 | -169.3 | 169.6 | -178.1 | 0 | 114.4 | | |
| 162 | N | 46.7 | Very low | 43.7 | Very low | 143 Ų | 143 | 134.2 Ų | 134.2 | 77% | 0.765 | 80% | 0.802 | S | S | * | * | | | | -166.9 | 145.1 | 119.4 | -164.4 | 28.5 | 0 | 0 | 0 | 112.5 | | |
| 163 | D | 49.1 | Very low | 44.1 | Very low | 110 Ų | 110 | 134.4 Ų | 134.4 | 59% | 0.588 | 80% | 0.804 | S | S | * | * | | | trans | -84.5 | 166.2 | 179.3 | -55.6 | -91.9 | 0 | 0 | 0 | 113.2 | | |
| 164 | N | 47.3 | Very low | 44.1 | Very low | 152 Ų | 152 | 134.8 Ų | 134.8 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | | | trans | 58.8 | 104.7 | 151.1 | -56.5 | -22.6 | 0 | 0 | 0 | 119.9 | | |
| 165 | C | 42.1 | Very low | 44.1 | Very low | 129 Ų | 129 | 136.9 Ų | 136.9 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | | | trans | -149.5 | 124.1 | 137.3 | -112.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 166 | T | 48.9 | Very low | 44.7 | Very low | 124 Ų | 124 | 137 Ų | 137 | 76% | 0.761 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 157 | 174.7 | 24.6 | 0 | 0 | 0 | 0 | 112.4 | K168 | T166-K168 PolarHBondContact O-N 2.89Š|
| 167 | P | 45.2 | Very low | 44.6 | Very low | 125 Ų | 125 | 138.8 Ų | 138.8 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 119.5 | 175.7 | 24.7 | -29.5 | 0 | 0 | 0 | 110.6 | K169 | P167-K169 PolarHBondContact O-N 3.39Š|
| 168 | K | 43.7 | Very low | 44.3 | Very low | 197 Ų | 197 | 142.7 Ų | 142.7 | 86% | 0.857 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 117.8 | 179.5 | -70.6 | -174.5 | 175.9 | -177.6 | 0 | 110.9 | T166 | T166-K168 PolarHBondContact O-N 2.89Š|
| 169 | K | 45.4 | Very low | 45 | Very low | 194 Ų | 194 | 142 Ų | 142 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 136.6 | 156.1 | -75.9 | 177.4 | 173.1 | 177.9 | 0 | 109.1 | P167 S171 | P167-K169 PolarHBondContact O-N 3.39Å; K169-S171 PolarHBondContact O-N 3.41Å |
| 170 | P | 40.8 | Very low | 45.2 | Very low | 134 Ų | 134 | 146 Ų | 146 | 87% | 0.87 | 79% | 0.791 | S | S | * | * | | | trans | -74 | 107.5 | 159 | 29.8 | -29.6 | 0 | 0 | 0 | 108.6 | | |
| 171 | S | 37.1 | Very low | 44.6 | Very low | 112 Ų | 112 | 143.5 Ų | 143.5 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | | | trans | -89.2 | 144.4 | 165.7 | -176.7 | 0 | 0 | 0 | 0 | 109.7 | K169 | K169-S171 PolarHBondContact O-N 3.41Š|
| 172 | S | 38.8 | Very low | 44.4 | Very low | 102 Ų | 102 | 139.8 Ų | 139.8 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | | | trans | -51.3 | 142.8 | 174.7 | -177 | 0 | 0 | 0 | 0 | 113.2 | | |
| 173 | S | 39.1 | Very low | 44.8 | Very low | 120 Ų | 120 | 137.8 Ų | 137.8 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | | | trans | -144.3 | 131.6 | 152.9 | -167.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 174 | V | 46 | Very low | 45 | Very low | 128 Ų | 128 | 139.1 Ų | 139.1 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | | | trans | -100 | 135 | -174.8 | -91.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 175 | E | 38.8 | Very low | 45.2 | Very low | 146 Ų | 146 | 138.8 Ų | 138.8 | 68% | 0.682 | 79% | 0.794 | S | S | * | * | | | trans | -152 | 114.1 | 159.6 | -123.5 | -84.4 | 115.4 | 0 | 0 | 109.1 | K177 | E175-K177 IonicContact OE1-NZ 2.82Å; E175-K177 PolarHBondContact OE1-NZ 2.98Å; E175-K177 IonicContact OE2-NZ 2.62Å; E175-K177 PolarHBondContact OE2-NZ 3.44Å |
| 176 | P | 47.4 | Very low | 45.7 | Very low | 111 Ų | 111 | 137.9 Ų | 137.9 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | | | trans | -103.2 | 120.5 | -172.7 | 35.1 | -29.7 | 0 | 0 | 0 | 112.8 | | |
| 177 | K | 42.8 | Very low | 45.5 | Very low | 152 Ų | 152 | 137.8 Ų | 137.8 | 66% | 0.661 | 78% | 0.784 | S | S | * | * | | | trans | -146.7 | 82.3 | 172.7 | -70.1 | -168.8 | 175.4 | 63.3 | 0 | 115.5 | E175 | E175-K177 IonicContact OE1-NZ 2.82Å; E175-K177 PolarHBondContact OE1-NZ 2.98Å; E175-K177 IonicContact OE2-NZ 2.62Å; E175-K177 PolarHBondContact OE2-NZ 3.44Å |
| 178 | K | 44.3 | Very low | 45.9 | Very low | 203 Ų | 203 | 138.1 Ų | 138.1 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | | | | 171.5 | 141.7 | 113.2 | -96.1 | 161.9 | 175.8 | 171.2 | 0 | 112.5 | | |
| 179 | P | 51.5 | Low | 46.2 | Very low | 114 Ų | 114 | 134.3 Ų | 134.3 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | | | trans | -84.5 | 148.3 | 176.9 | 35.1 | -34 | 0 | 0 | 0 | 111.4 | | |
| 180 | L | 49.5 | Very low | 46.3 | Very low | 175 Ų | 175 | 131.8 Ų | 131.8 | 92% | 0.916 | 77% | 0.773 | S | S | * | * | | | trans | 167.4 | 80.5 | 144.7 | -93.7 | 166.3 | 0 | 0 | 0 | 110.8 | | |
| 181 | N | 43 | Very low | 47 | Very low | 158 Ų | 158 | 127.9 Ų | 127.9 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | | | trans | -166.1 | 108.5 | 130.9 | -148 | -57.6 | 0 | 0 | 0 | 109.6 | | |
| 182 | A | 44.9 | Very low | 47.8 | Very low | 106 Ų | 106 | 128.6 Ų | 128.6 | 88% | 0.876 | 76% | 0.76 | S | S | * | * | | | trans | -118.4 | 92.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 183 | S | 54.7 | Low | 48.2 | Very low | 101 Ų | 101 | 127.9 Ų | 127.9 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | | | trans | -170.5 | 98.3 | 155.6 | -170.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 184 | N | 53.7 | Low | 48.7 | Very low | 138 Ų | 138 | 127 Ų | 127 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | | | trans | -149.4 | 109.9 | 139.6 | 63.9 | -42.3 | 0 | 0 | 0 | 109.5 | V186 | N184-V186 PolarHBondContact O-N 2.85Å; N184-V186 VanDerWaalsContact O-N 3.13Å |
| 185 | N | 51.6 | Low | 49.1 | Very low | 145 Ų | 145 | 129.5 Ų | 129.5 | 78% | 0.775 | 75% | 0.745 | S | S | * | * | | | trans | -79.4 | 82.9 | -178.7 | 52.2 | -20.1 | 0 | 0 | 0 | 111.4 | T187 | N185-T187 PolarHBondContact O-N 3.31Š|
| 186 | V | 53.5 | Low | 49.9 | Very low | 110 Ų | 110 | 127.3 Ų | 127.3 | 67% | 0.667 | 75% | 0.753 | S | S | * | * | | | trans | -81.7 | 97.9 | 164.4 | -178.4 | 0 | 0 | 0 | 0 | 108.7 | N184 I188 | N184-V186 PolarHBondContact O-N 2.85Å; N184-V186 VanDerWaalsContact O-N 3.13Å; V186-I188 HydrophobicContact CG1-CG1 4.24Å; V186-I188 PolarHBondContact O-N 2.94Å; V186-I188 VanDerWaalsContact O-N 3.09Å |
| 187 | T | 43.8 | Very low | 50.1 | Low | 123 Ų | 123 | 128.2 Ų | 128.2 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | | | trans | -61.8 | 106.2 | 167 | -47.7 | 0 | 0 | 0 | 0 | 108.6 | N185 P189 | N185-T187 PolarHBondContact O-N 3.31Å; T187-P189 WeakPolarHBondContact O-CD 3.42Å |
| 188 | I | 54.1 | Low | 50.5 | Low | 131 Ų | 131 | 126.6 Ų | 126.6 | 67% | 0.672 | 74% | 0.738 | S | S | * | * | | | trans | -87.7 | 117.1 | 170.8 | -62.5 | -176.6 | 0 | 0 | 0 | 107.8 | V186 T190 | V186-I188 HydrophobicContact CG1-CG1 4.24Å; V186-I188 PolarHBondContact O-N 2.94Å; V186-I188 VanDerWaalsContact O-N 3.09Å; I188-T190 PolarHBondContact O-N 3.45Å; I188-T190 VanDerWaalsContact O-N 3.13Å |
| 189 | P | 48.7 | Very low | 51.1 | Low | 117 Ų | 117 | 124.8 Ų | 124.8 | 76% | 0.76 | 74% | 0.737 | S | S | * | * | | | trans | -72.3 | 103.9 | 168.9 | -12.6 | 29.7 | 0 | 0 | 0 | 108.9 | T187 G191 | T187-P189 WeakPolarHBondContact O-CD 3.42Å; P189-G191 VanDerWaalsContact C-N 3.3Å; P189-G191 PolarHBondContact O-N 2.78Å |
| 190 | T | 47.8 | Very low | 51.5 | Low | 141 Ų | 141 | 127.4 Ų | 127.4 | 87% | 0.865 | 74% | 0.737 | S | S | * | * | | | trans | -72.1 | 86 | 170.7 | -55.1 | 0 | 0 | 0 | 0 | 109.6 | I188 | I188-T190 PolarHBondContact O-N 3.45Å; I188-T190 VanDerWaalsContact O-N 3.13Å |
| 191 | G | 56.3 | Low | 51.8 | Low | 52 Ų | 52 | 121.4 Ų | 121.4 | 54% | 0.536 | 71% | 0.706 | S | S | . | * | P | Polyproline II helix | trans | -101.6 | 141.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | P189 | P189-G191 VanDerWaalsContact C-N 3.3Å; P189-G191 PolarHBondContact O-N 2.78Å |
| 192 | P | 52.7 | Low | 52.4 | Low | 127 Ų | 127 | 117.8 Ų | 117.8 | 83% | 0.825 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 125.8 | 174.3 | 28.6 | -33 | 0 | 0 | 0 | 109.9 | T194 | P192-T194 PolarHBondContact O-N 2.85Š|
| 193 | P | 47.8 | Very low | 53.1 | Low | 87 Ų | 87 | 120.6 Ų | 120.6 | 57% | 0.565 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 122.2 | -178.1 | 30.4 | -33 | 0 | 0 | 0 | 110.5 | E195 Y198 | P193-E195 PolarHBondContact O-N 3.09Å; P193-Y198 HydrophobicContact CB-CE2 3.83Å; P193-Y198 HydrophobicContact CG-CE2 3.9Å; P193-Y198 VanDerWaalsContact CG-OH 3.25Å; P193-Y198 WeakPolarHBondContact CG-OH 3.41Å |
| 194 | T | 49.8 | Very low | 53.6 | Low | 102 Ų | 102 | 122.5 Ų | 122.5 | 63% | 0.626 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 126.2 | 171.1 | 39.3 | 0 | 0 | 0 | 0 | 110.7 | P192 A196 E197 | P192-T194 PolarHBondContact O-N 2.85Å; T194-A196 PolarHBondContact O-N 3.06Å; T194-E197 PolarHBondContact O-N 2.91Å |
| 195 | E | 53.6 | Low | 54.4 | Low | 180 Ų | 180 | 121.8 Ų | 121.8 | 84% | 0.841 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -55.3 | -21.7 | -172.5 | -75.3 | -162.5 | 130.3 | 0 | 0 | 115.2 | P193 E197 Y198 | P193-E195 PolarHBondContact O-N 3.09Å; E195-E197 PolarHBondContact O-N 3.34Å; E195-E197 VanDerWaalsContact O-N 3.16Å; E195-Y198 PolarHBondContact O-N 2.92Å |
| 196 | A | 56.8 | Low | 55.5 | Low | 101 Ų | 101 | 121.5 Ų | 121.5 | 84% | 0.835 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -62.4 | -20.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115 | T194 | T194-A196 PolarHBondContact O-N 3.06Š|
| 197 | E | 52.1 | Low | 56.6 | Low | 130 Ų | 130 | 121.4 Ų | 121.4 | 61% | 0.607 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -94.5 | -15.5 | -175.2 | -153.5 | 158.9 | -150.5 | 0 | 0 | 113.4 | T194 E195 L199 K200 D201 | T194-E197 PolarHBondContact O-N 2.91Å; E195-E197 PolarHBondContact O-N 3.34Å; E195-E197 VanDerWaalsContact O-N 3.16Å; E197-L199 VanDerWaalsContact C-N 3.3Å; E197-L199 PolarHBondContact O-N 3.29Å; E197-L199 VanDerWaalsContact O-N 3.16Å; E197-K200 PolarHBondContact O-N 2.8Å; E197-D201 PolarHBondContact O-N 2.73Å |
| 198 | Y | 50.8 | Low | 58.4 | Low | 118 Ų | 118 | 117.5 Ų | 117.5 | 46% | 0.463 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -60.9 | -30.6 | -172.6 | -90.6 | -90.9 | 0 | 0 | 0 | 114.8 | P193 E195 K200 D201 C202 | P193-Y198 HydrophobicContact CB-CE2 3.83Å; P193-Y198 HydrophobicContact CG-CE2 3.9Å; P193-Y198 VanDerWaalsContact CG-OH 3.25Å; P193-Y198 WeakPolarHBondContact CG-OH 3.41Å; E195-Y198 PolarHBondContact O-N 2.92Å; Y198-K200 VanDerWaalsContact C-N 3.33Å; Y198-K200 PolarHBondContact O-N 2.87Å; Y198-D201 PolarHBondContact O-N 3.26Å; Y198-C202 WeakPolarHBondContact O-CB 3.34Å; Y198-C202 PolarHBondContact O-N 3.25Å; Y198-C202 PolarHBondContact O-SG 3.03Å |
| 199 | L | 56.4 | Low | 59.4 | Low | 164 Ų | 164 | 115 Ų | 115 | 86% | 0.859 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -68.7 | -27.3 | -180 | -88.9 | 168.4 | 0 | 0 | 0 | 113.9 | E197 | E197-L199 VanDerWaalsContact C-N 3.3Å; E197-L199 PolarHBondContact O-N 3.29Å; E197-L199 VanDerWaalsContact O-N 3.16Å |
| 200 | K | 59.8 | Low | 60.7 | Low | 170 Ų | 170 | 116.2 Ų | 116.2 | 74% | 0.739 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -87.3 | -20.8 | 172.8 | -76.6 | -169.6 | 173.6 | -175 | 0 | 113.1 | E197 Y198 K204 | E197-K200 PolarHBondContact O-N 2.8Å; Y198-K200 VanDerWaalsContact C-N 3.33Å; Y198-K200 PolarHBondContact O-N 2.87Å; K200-K204 WeakPolarHBondContact O-CE 3.39Å |
| 201 | D | 55.3 | Low | 62 | Low | 49 Ų | 49 | 118.4 Ų | 118.4 | 26% | 0.262 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -92.8 | -24.8 | -176.4 | -82.6 | 53 | 0 | 0 | 0 | 113.2 | E197 Y198 E203 K204 I205 | E197-D201 PolarHBondContact O-N 2.73Å; Y198-D201 PolarHBondContact O-N 3.26Å; D201-E203 PolarHBondContact O-N 2.59Å; D201-K204 HydrophobicContact CB-CD 4.38Å; D201-K204 VanDerWaalsContact CG-CE 3.5Å; D201-K204 VanDerWaalsContact O-CB 3.31Å; D201-K204 WeakPolarHBondContact O-CB 3.45Å; D201-K204 PolarHBondContact O-N 2.73Å; D201-K204 VanDerWaalsContact OD1-CE 3.25Å; D201-K204 WeakPolarHBondContact OD1-CE 3.36Å; D201-K204 IonicContact OD1-NZ 2.71Å; D201-K204 PolarHBondContact OD1-NZ 2.9Å; D201-K204 WeakPolarHBondContact OD2-CE 3.27Å; D201-K204 IonicContact OD2-NZ 2.64Å; D201-K204 PolarHBondContact OD2-NZ 3Å; D201-I205 WeakPolarHBondContact O-CD1 3.2Å; D201-I205 WeakPolarHBondContact O-CG1 3.5Å |
| 202 | C | 55.3 | Low | 63.2 | Low | 82 Ų | 82 | 120.9 Ų | 120.9 | 55% | 0.554 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | -29.6 | 173.7 | -79.6 | 0 | 0 | 0 | 0 | 114.3 | Y198 K204 | Y198-C202 WeakPolarHBondContact O-CB 3.34Å; Y198-C202 PolarHBondContact O-N 3.25Å; Y198-C202 PolarHBondContact O-SG 3.03Å; C202-K204 VanDerWaalsContact C-N 3.25Å; C202-K204 PolarHBondContact O-N 2.92Å |
| 203 | E | 59.9 | Low | 64.8 | Low | 164 Ų | 164 | 122.9 Ų | 122.9 | 77% | 0.766 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -28.2 | 175.3 | -172.8 | 166.7 | -153.5 | 0 | 0 | 112.6 | D201 | D201-E203 PolarHBondContact O-N 2.59Š|
| 204 | K | 66.1 | Low | 66.7 | Low | 142 Ų | 142 | 123 Ų | 123 | 62% | 0.617 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -22 | -174.7 | -46.3 | 176.1 | -168.1 | 168.9 | 0 | 113.7 | K200 D201 C202 Y206 | K200-K204 WeakPolarHBondContact O-CE 3.39Å; D201-K204 HydrophobicContact CB-CD 4.38Å; D201-K204 VanDerWaalsContact CG-CE 3.5Å; D201-K204 VanDerWaalsContact O-CB 3.31Å; D201-K204 WeakPolarHBondContact O-CB 3.45Å; D201-K204 PolarHBondContact O-N 2.73Å; D201-K204 VanDerWaalsContact OD1-CE 3.25Å; D201-K204 WeakPolarHBondContact OD1-CE 3.36Å; D201-K204 IonicContact OD1-NZ 2.71Å; D201-K204 PolarHBondContact OD1-NZ 2.9Å; D201-K204 WeakPolarHBondContact OD2-CE 3.27Å; D201-K204 IonicContact OD2-NZ 2.64Å; D201-K204 PolarHBondContact OD2-NZ 3Å; C202-K204 VanDerWaalsContact C-N 3.25Å; C202-K204 PolarHBondContact O-N 2.92Å; K204-Y206 PolarHBondContact O-N 2.7Å |
| 205 | I | 70.9 | Confident | 68.6 | Low | 123 Ų | 123 | 123 Ų | 123 | 63% | 0.631 | 66% | 0.661 | S | S | * | * | | | trans | -95.7 | 14 | -162.3 | -55.3 | 159.2 | 0 | 0 | 0 | 112.9 | D201 A207 | D201-I205 WeakPolarHBondContact O-CD1 3.2Å; D201-I205 WeakPolarHBondContact O-CG1 3.5Å; I205-A207 PolarHBondContact O-N 3.42Å; I205-A207 VanDerWaalsContact O-N 3.11Å |
| 206 | Y | 73.6 | Confident | 70.5 | Confident | 139 Ų | 139 | 117.8 Ų | 117.8 | 55% | 0.545 | 64% | 0.644 | S | S | . | * | | | trans | -78.3 | 97.3 | 172.6 | -171.9 | -87 | 0 | 0 | 0 | 111.4 | K204 G208 | K204-Y206 PolarHBondContact O-N 2.7Å; Y206-G208 VanDerWaalsContact CE1-C 3.5Å; Y206-G208 VanDerWaalsContact CE1-CA 3.41Å; Y206-G208 PolarHBondContact O-N 2.83Å |
| 207 | A | 78.1 | Confident | 72.2 | Confident | 108 Ų | 108 | 118.2 Ų | 118.2 | 89% | 0.893 | 64% | 0.639 | S | S | * | * | | | trans | -78.5 | 5.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | I205 | I205-A207 PolarHBondContact O-N 3.42Å; I205-A207 VanDerWaalsContact O-N 3.11Å |
| 208 | G | 80.7 | Confident | 74.1 | Confident | 40 Ų | 40 | 117.1 Ų | 117.1 | 41% | 0.412 | 65% | 0.646 | S | S | . | * | S | Bend | trans | -82.6 | 177.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y206 K210 | Y206-G208 VanDerWaalsContact CE1-C 3.5Å; Y206-G208 VanDerWaalsContact CE1-CA 3.41Å; Y206-G208 PolarHBondContact O-N 2.83Å; G208-K210 PolarHBondContact O-N 3.03Å |
| 209 | A | 76.1 | Confident | 76.2 | Confident | 79 Ų | 79 | 116.8 Ų | 116.8 | 65% | 0.653 | 66% | 0.655 | S | S | * | * | | | trans | -58.1 | 110.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | F211 | A209-F211 PolarHBondContact O-N 3.16Š|
| 210 | K | 74.9 | Confident | 78 | Confident | 142 Ų | 142 | 114.5 Ų | 114.5 | 62% | 0.617 | 64% | 0.643 | S | S | * | * | | | trans | -64.9 | 102.7 | 165.1 | -70.9 | -81.5 | 90.3 | 176.6 | 0 | 107.2 | G208 S212 | G208-K210 PolarHBondContact O-N 3.03Å; K210-S212 PolarHBondContact O-N 3.48Å |
| 211 | F | 75.5 | Confident | 79.6 | Confident | 187 Ų | 187 | 111.9 Ų | 111.9 | 82% | 0.82 | 64% | 0.644 | S | S | * | * | | | trans | -56.5 | 129.1 | 152.4 | -63.3 | -87.5 | 0 | 0 | 0 | 106.4 | A209 | A209-F211 PolarHBondContact O-N 3.16Š|
| 212 | S | 81 | Confident | 81.5 | Confident | 105 Ų | 105 | 119 Ų | 119 | 73% | 0.734 | 67% | 0.673 | S | S | * | * | | | trans | -58.7 | 158.9 | 168 | 56.9 | 0 | 0 | 0 | 0 | 109.4 | K210 | K210-S212 PolarHBondContact O-N 3.48Š|
| 213 | E | 86.9 | Confident | 83.4 | Confident | 168 Ų | 168 | 118.7 Ų | 118.7 | 79% | 0.785 | 67% | 0.669 | S | S | * | * | | | trans | -42.9 | 130.3 | 161.6 | -161.8 | 74.9 | -137.1 | 0 | 0 | 109 | | |
| 214 | P | 88.3 | Confident | 85 | Confident | 91 Ų | 91 | 113.5 Ų | 113.5 | 59% | 0.591 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 149.2 | 170.9 | 27.7 | -33.7 | 0 | 0 | 0 | 109.1 | S216 | P214-S216 PolarHBondContact O-N 3.11Š|
| 215 | P | 88.1 | Confident | 86.1 | Confident | 100 Ų | 100 | 110.1 Ų | 110.1 | 65% | 0.649 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 137.6 | 176.8 | 26.4 | -34.7 | 0 | 0 | 0 | 109.9 | | |
| 216 | S | 94.1 | Very high | 87.1 | Confident | 71 Ų | 71 | 111.4 Ų | 111.4 | 50% | 0.497 | 65% | 0.647 | S | S | . | * | P | Polyproline II helix | trans | -51 | 137.5 | -178.5 | -52.4 | 0 | 0 | 0 | 0 | 111 | P214 S218 V219 | P214-S216 PolarHBondContact O-N 3.11Å; S216-S218 PolarHBondContact O-N 3.05Å; S216-V219 WeakPolarHBondContact O-CB 3.34Å; S216-V219 WeakPolarHBondContact O-CG2 3.33Å; S216-V219 PolarHBondContact O-N 2.53Å |
| 217 | P | 92.6 | Very high | 87.9 | Confident | 110 Ų | 110 | 113.7 Ų | 113.7 | 71% | 0.714 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -61.8 | -21.2 | -173.7 | 23.9 | -34.4 | 0 | 0 | 0 | 113.2 | V219 L220 | P217-V219 PolarHBondContact O-N 3.3Å; P217-L220 WeakPolarHBondContact O-CB 3.35Å; P217-L220 PolarHBondContact O-N 2.81Å |
| 218 | S | 93 | Very high | 88.5 | Confident | 108 Ų | 108 | 112.5 Ų | 112.5 | 76% | 0.755 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -66.5 | -16.5 | 172.2 | 50.8 | 0 | 0 | 0 | 0 | 114.9 | S216 L220 | S216-S218 PolarHBondContact O-N 3.05Å; S218-L220 VanDerWaalsContact C-N 3.34Å |
| 219 | V | 94.4 | Very high | 88.2 | Confident | 110 Ų | 110 | 113.7 Ų | 113.7 | 67% | 0.667 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -83.2 | -14.8 | 175.8 | -172.7 | 0 | 0 | 0 | 0 | 111.3 | S216 P217 | S216-V219 WeakPolarHBondContact O-CB 3.34Å; S216-V219 WeakPolarHBondContact O-CG2 3.33Å; S216-V219 PolarHBondContact O-N 2.53Å; P217-V219 PolarHBondContact O-N 3.3Å |
| 220 | L | 93.6 | Very high | 87.9 | Confident | 116 Ų | 116 | 115.9 Ų | 115.9 | 61% | 0.607 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -71.6 | 142.9 | 172.5 | -58.9 | -179.9 | 0 | 0 | 0 | 110.3 | P217 S218 | P217-L220 WeakPolarHBondContact O-CB 3.35Å; P217-L220 PolarHBondContact O-N 2.81Å; S218-L220 VanDerWaalsContact C-N 3.34Å |
| 221 | P | 94.2 | Very high | 87.3 | Confident | 116 Ų | 116 | 117.2 Ų | 117.2 | 75% | 0.753 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 142.8 | 174 | 27.3 | -34.6 | 0 | 0 | 0 | 110.2 | | |
| 222 | K | 94.9 | Very high | 86.6 | Confident | 199 Ų | 199 | 110.7 Ų | 110.7 | 87% | 0.865 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 137.6 | 172.2 | -68.4 | -178.2 | 177.7 | -177 | 0 | 109.5 | | |
| 223 | P | 94.1 | Very high | 85.6 | Confident | 74 Ų | 74 | 111.4 Ų | 111.4 | 48% | 0.481 | 65% | 0.646 | S | S | . | * | P | Polyproline II helix | trans | -64.2 | 160 | 173.9 | -10.9 | 25.1 | 0 | 0 | 0 | 110.1 | S225 W227 V228 | P223-S225 PolarHBondContact O-N 3.31Å; P223-W227 HydrophobicContact CB-CE3 4.41Å; P223-V228 HydrophobicContact CB-CG2 3.56Å; P223-V228 HydrophobicContact CG-CG2 3.59Å |
| 224 | P | 93.3 | Very high | 84.4 | Confident | 55 Ų | 55 | 110.8 Ų | 110.8 | 36% | 0.357 | 64% | 0.644 | S | S | . | * | P | Polyproline II helix | trans | -50 | 130.7 | 169 | -26.5 | 35 | 0 | 0 | 0 | 111.2 | H226 W227 V228 | P224-H226 VanDerWaalsContact C-N 3.27Å; P224-H226 PolarHBondContact O-N 2.67Å; P224-H226 VanDerWaalsContact O-N 3.16Å; P224-W227 HydrophobicContact CB-CD2 4.09Å; P224-W227 HydrophobicContact CB-CG 4.08Å; P224-W227 HydrophobicContact CG-CD2 3.82Å; P224-W227 HydrophobicContact CG-CE3 4.03Å; P224-W227 HydrophobicContact CG-CG 4.34Å; P224-W227 HydrophobicContact CG-CH2 4.22Å; P224-W227 HydrophobicContact CG-CZ2 4.03Å; P224-W227 HydrophobicContact CG-CZ3 4.21Å; P224-W227 WeakPolarHBondContact O-CB 3.29Å; P224-W227 PolarHBondContact O-N 3.23Å; P224-V228 PolarHBondContact O-N 3.22Å |
| 225 | S | 90.8 | Very high | 83.1 | Confident | 71 Ų | 71 | 114.6 Ų | 114.6 | 50% | 0.497 | 65% | 0.654 | S | S | . | * | G | 310 helix | trans | -47.9 | -46.3 | -177.4 | 160.9 | 0 | 0 | 0 | 0 | 113 | P223 W227 V228 E230 | P223-S225 PolarHBondContact O-N 3.31Å; S225-W227 PolarHBondContact O-N 3.28Å; S225-V228 PolarHBondContact O-N 2.89Å; S225-E230 WeakPolarHBondContact CA-OE2 3.36Å; S225-E230 WeakPolarHBondContact CB-OE2 3.19Å; S225-E230 PolarHBondContact OG-OE2 3.5Å |
| 226 | H | 91.4 | Very high | 82.1 | Confident | 150 Ų | 150 | 114 Ų | 114 | 69% | 0.694 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -66 | -5.7 | 177.9 | 75.7 | -78.4 | 0 | 0 | 0 | 115.6 | P224 | P224-H226 VanDerWaalsContact C-N 3.27Å; P224-H226 PolarHBondContact O-N 2.67Å; P224-H226 VanDerWaalsContact O-N 3.16Å |
| 227 | W | 91.1 | Very high | 81.3 | Confident | 187 Ų | 187 | 112.6 Ų | 112.6 | 71% | 0.708 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -93.8 | -35.6 | 170.1 | -63.1 | 1.7 | 0 | 0 | 0 | 111.8 | P223 P224 S225 G229 | P223-W227 HydrophobicContact CB-CE3 4.41Å; P224-W227 HydrophobicContact CB-CD2 4.09Å; P224-W227 HydrophobicContact CB-CG 4.08Å; P224-W227 HydrophobicContact CG-CD2 3.82Å; P224-W227 HydrophobicContact CG-CE3 4.03Å; P224-W227 HydrophobicContact CG-CG 4.34Å; P224-W227 HydrophobicContact CG-CH2 4.22Å; P224-W227 HydrophobicContact CG-CZ2 4.03Å; P224-W227 HydrophobicContact CG-CZ3 4.21Å; P224-W227 WeakPolarHBondContact O-CB 3.29Å; P224-W227 PolarHBondContact O-N 3.23Å; S225-W227 PolarHBondContact O-N 3.28Å; W227-G229 PolarHBondContact O-N 3.02Å; W227-G229 VanDerWaalsContact O-N 3.11Å |
| 228 | V | 88.8 | Confident | 80.9 | Confident | 84 Ų | 84 | 113.4 Ų | 113.4 | 51% | 0.509 | 63% | 0.629 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.2 | 36.6 | 179.8 | -158.2 | 0 | 0 | 0 | 0 | 110.5 | P223 P224 S225 E230 | P223-V228 HydrophobicContact CB-CG2 3.56Å; P223-V228 HydrophobicContact CG-CG2 3.59Å; P224-V228 PolarHBondContact O-N 3.22Å; S225-V228 PolarHBondContact O-N 2.89Å; V228-E230 PolarHBondContact O-N 3.35Å |
| 229 | G | 76.3 | Confident | 80.7 | Confident | 64 Ų | 64 | 110.7 Ų | 110.7 | 66% | 0.66 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 11.3 | 60.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | W227 | W227-G229 PolarHBondContact O-N 3.02Å; W227-G229 VanDerWaalsContact O-N 3.11Å |
| 230 | E | 68.7 | Low | 80.4 | Confident | 126 Ų | 126 | 113.8 Ų | 113.8 | 59% | 0.589 | 61% | 0.61 | S | S | * | * | | | trans | -64.8 | 152.9 | 173.2 | -76.4 | 162.5 | 129.4 | 0 | 0 | 109.1 | S225 V228 G232 | S225-E230 WeakPolarHBondContact CA-OE2 3.36Å; S225-E230 WeakPolarHBondContact CB-OE2 3.19Å; S225-E230 PolarHBondContact OG-OE2 3.5Å; V228-E230 PolarHBondContact O-N 3.35Å; E230-G232 PolarHBondContact O-N 2.78Å |
| 231 | D | 62 | Low | 80.2 | Confident | 170 Ų | 170 | 112.2 Ų | 112.2 | 91% | 0.909 | 60% | 0.6 | S | S | * | * | | | trans | -69.2 | 54.8 | -166 | -52.3 | -79.7 | 0 | 0 | 0 | 114.6 | | |
| 232 | G | 62.2 | Low | 80.2 | Confident | 50 Ų | 50 | 112.5 Ų | 112.5 | 52% | 0.515 | 59% | 0.591 | S | S | . | * | | | trans | -52.8 | 146.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | E230 Q234 | E230-G232 PolarHBondContact O-N 2.78Å; G232-Q234 PolarHBondContact O-N 3.02Å |
| 233 | P | 59.8 | Low | 80.2 | Confident | 119 Ų | 119 | 108.6 Ų | 108.6 | 77% | 0.773 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -52 | 107 | -158 | 21.1 | -35 | 0 | 0 | 0 | 111.3 | Q235 | P233-Q235 VanDerWaalsContact C-N 3.31Å; P233-Q235 WeakPolarHBondContact O-CA 3.45Å; P233-Q235 PolarHBondContact O-N 3.43Å |
| 234 | Q | 59.9 | Low | 80.2 | Confident | 155 Ų | 155 | 107.7 Ų | 107.7 | 72% | 0.724 | 57% | 0.573 | S | S | * | * | | | trans | -8.7 | 82.6 | 178.8 | -83.9 | -95.9 | -22.4 | 0 | 0 | 112.2 | G232 N236 S237 | G232-Q234 PolarHBondContact O-N 3.02Å; Q234-N236 PolarHBondContact O-N 3.22Å; Q234-S237 VanDerWaalsContact OE1-CB 3.27Å; Q234-S237 PolarHBondContact OE1-OG 3.37Å |
| 235 | Q | 62.1 | Low | 80.2 | Confident | 172 Ų | 172 | 109.7 Ų | 109.7 | 80% | 0.804 | 58% | 0.584 | S | S | * | * | | | trans | -74.4 | 78.2 | -174.9 | -96.3 | -74.1 | 3.5 | 0 | 0 | 108.6 | P233 S237 | P233-Q235 VanDerWaalsContact C-N 3.31Å; P233-Q235 WeakPolarHBondContact O-CA 3.45Å; P233-Q235 PolarHBondContact O-N 3.43Å; Q235-S237 PolarHBondContact O-N 3.36Å |
| 236 | N | 66.8 | Low | 80.5 | Confident | 88 Ų | 88 | 111.8 Ų | 111.8 | 47% | 0.471 | 59% | 0.585 | S | S | . | * | | | trans | 36 | 69.6 | -178 | -166.9 | -10.7 | 0 | 0 | 0 | 112 | Q234 Q238 S239 R240 | Q234-N236 PolarHBondContact O-N 3.22Å; N236-Q238 PolarHBondContact O-N 3.38Å; N236-Q238 WeakPolarHBondContact OD1-CB 3.49Å; N236-S239 WeakPolarHBondContact ND2-CB 3.39Å; N236-S239 WeakPolarHBondContact O-CA 3.47Å; N236-S239 WeakPolarHBondContact O-CB 3.27Å; N236-S239 PolarHBondContact O-N 3.3Å; N236-S239 PolarHBondContact OD1-N 2.96Å; N236-R240 PolarHBondContact O-N 3.15Å; N236-R240 VanDerWaalsContact O-N 3.09Å |
| 237 | S | 77.5 | Confident | 80.7 | Confident | 41 Ų | 41 | 108.7 Ų | 108.7 | 29% | 0.287 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -43 | -53.1 | 172.3 | 36.8 | 0 | 0 | 0 | 0 | 110.1 | Q234 Q235 S239 R240 E241 | Q234-S237 VanDerWaalsContact OE1-CB 3.27Å; Q234-S237 PolarHBondContact OE1-OG 3.37Å; Q235-S237 PolarHBondContact O-N 3.36Å; S237-S239 VanDerWaalsContact C-N 3.26Å; S237-S239 PolarHBondContact O-N 3.39Å; S237-R240 CarbonylContact O-C 3.5Å; S237-R240 WeakPolarHBondContact O-CA 3.49Å; S237-R240 WeakPolarHBondContact O-CB 3.36Å; S237-R240 PolarHBondContact O-N 3.34Å; S237-E241 WeakPolarHBondContact CB-OE2 3.33Å; S237-E241 PolarHBondContact O-N 3.31Å; S237-E241 VanDerWaalsContact O-OE1 3.05Å |
| 238 | Q | 84.7 | Confident | 80.9 | Confident | 127 Ų | 127 | 102.8 Ų | 102.8 | 59% | 0.593 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -48 | -40.8 | 175.3 | -178.1 | -178.8 | 0.4 | 0 | 0 | 114.3 | N236 E241 Q242 | N236-Q238 PolarHBondContact O-N 3.38Å; N236-Q238 WeakPolarHBondContact OD1-CB 3.49Å; Q238-E241 PolarHBondContact N-OE2 3.45Å; Q238-Q242 VanDerWaalsContact O-CB 3.29Å; Q238-Q242 WeakPolarHBondContact O-CB 3.11Å; Q238-Q242 WeakPolarHBondContact O-CG 3.44Å; Q238-Q242 PolarHBondContact O-N 3.3Å |
| 239 | S | 87.3 | Confident | 81.3 | Confident | 50 Ų | 50 | 103 Ų | 103 | 35% | 0.35 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -70.7 | -39.9 | 174.9 | 177.1 | 0 | 0 | 0 | 0 | 112.8 | N236 S237 M243 | N236-S239 WeakPolarHBondContact ND2-CB 3.39Å; N236-S239 WeakPolarHBondContact O-CA 3.47Å; N236-S239 WeakPolarHBondContact O-CB 3.27Å; N236-S239 PolarHBondContact O-N 3.3Å; N236-S239 PolarHBondContact OD1-N 2.96Å; S237-S239 VanDerWaalsContact C-N 3.26Å; S237-S239 PolarHBondContact O-N 3.39Å; S239-M243 WeakPolarHBondContact O-CB 3.4Å; S239-M243 PolarHBondContact O-N 3.36Å |
| 240 | R | 88.8 | Confident | 82.3 | Confident | 175 Ų | 175 | 105.5 Ų | 105.5 | 66% | 0.66 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62.5 | -46.9 | 173.1 | 175.1 | 178.6 | 169 | -115.8 | 7 | 111 | N236 S237 M243 S244 | N236-R240 PolarHBondContact O-N 3.15Å; N236-R240 VanDerWaalsContact O-N 3.09Å; S237-R240 CarbonylContact O-C 3.5Å; S237-R240 WeakPolarHBondContact O-CA 3.49Å; S237-R240 WeakPolarHBondContact O-CB 3.36Å; S237-R240 PolarHBondContact O-N 3.34Å; R240-M243 PolarHBondContact O-N 2.62Å; R240-S244 WeakPolarHBondContact O-CB 3.47Å; R240-S244 PolarHBondContact O-N 3.4Å; R240-S244 PolarHBondContact O-OG 3.36Å |
| 241 | E | 90.2 | Very high | 83.7 | Confident | 84 Ų | 84 | 105.7 Ų | 105.7 | 39% | 0.393 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.1 | -41.9 | 176.7 | -74.9 | 95.3 | -117.2 | 0 | 0 | 112.2 | S237 Q238 M243 S244 V245 | S237-E241 WeakPolarHBondContact CB-OE2 3.33Å; S237-E241 PolarHBondContact O-N 3.31Å; S237-E241 VanDerWaalsContact O-OE1 3.05Å; Q238-E241 PolarHBondContact N-OE2 3.45Å; E241-M243 VanDerWaalsContact C-N 3.33Å; E241-M243 PolarHBondContact O-N 2.82Å; E241-S244 PolarHBondContact O-N 3.32Å; E241-V245 WeakPolarHBondContact O-CG2 3.37Å; E241-V245 PolarHBondContact O-N 2.98Å |
| 242 | Q | 93.6 | Very high | 85.2 | Confident | 122 Ų | 122 | 106 Ų | 106 | 57% | 0.57 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -59.3 | -43.8 | 172.9 | -79.7 | 176.5 | -0.9 | 0 | 0 | 112 | Q238 V245 H246 | Q238-Q242 VanDerWaalsContact O-CB 3.29Å; Q238-Q242 WeakPolarHBondContact O-CB 3.11Å; Q238-Q242 WeakPolarHBondContact O-CG 3.44Å; Q238-Q242 PolarHBondContact O-N 3.3Å; Q242-V245 PolarHBondContact O-N 3.2Å; Q242-H246 WeakPolarHBondContact O-CB 3.46Å; Q242-H246 PolarHBondContact O-N 2.94Å |
| 243 | M | 94.3 | Very high | 86.7 | Confident | 116 Ų | 116 | 107.4 Ų | 107.4 | 57% | 0.571 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.4 | -43.4 | 175.4 | -167.9 | -177.7 | -60.1 | 0 | 0 | 111.1 | S239 R240 E241 H246 L247 | S239-M243 WeakPolarHBondContact O-CB 3.4Å; S239-M243 PolarHBondContact O-N 3.36Å; R240-M243 PolarHBondContact O-N 2.62Å; E241-M243 VanDerWaalsContact C-N 3.33Å; E241-M243 PolarHBondContact O-N 2.82Å; M243-H246 PolarHBondContact O-N 3.11Å; M243-L247 HydrophobicContact CG-CD1 3.95Å; M243-L247 HydrophobicContact CG-CG 4.44Å; M243-L247 WeakPolarHBondContact O-CB 3.34Å; M243-L247 WeakPolarHBondContact O-CG 3.31Å; M243-L247 PolarHBondContact O-N 3.45Å |
| 244 | S | 94.1 | Very high | 87.8 | Confident | 56 Ų | 56 | 110.5 Ų | 110.5 | 39% | 0.392 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.4 | -45.1 | 175.6 | -62.9 | 0 | 0 | 0 | 0 | 112.6 | R240 E241 L247 K248 | R240-S244 WeakPolarHBondContact O-CB 3.47Å; R240-S244 PolarHBondContact O-N 3.4Å; R240-S244 PolarHBondContact O-OG 3.36Å; E241-S244 PolarHBondContact O-N 3.32Å; S244-L247 PolarHBondContact O-N 3.26Å; S244-K248 WeakPolarHBondContact O-CB 3.33Å; S244-K248 VanDerWaalsContact O-CG 3.27Å; S244-K248 WeakPolarHBondContact O-CG 3.43Å; S244-K248 PolarHBondContact O-N 2.71Å |
| 245 | V | 94.6 | Very high | 88.6 | Confident | 97 Ų | 97 | 112.6 Ų | 112.6 | 59% | 0.588 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.8 | -43.7 | 176.8 | 170.5 | 0 | 0 | 0 | 0 | 111.2 | E241 Q242 K248 S249 | E241-V245 WeakPolarHBondContact O-CG2 3.37Å; E241-V245 PolarHBondContact O-N 2.98Å; Q242-V245 PolarHBondContact O-N 3.2Å; V245-K248 PolarHBondContact O-N 3.39Å; V245-S249 WeakPolarHBondContact O-CB 3.41Å; V245-S249 PolarHBondContact O-N 3.37Å |
| 246 | H | 95.5 | Very high | 89.9 | Confident | 114 Ų | 114 | 109.6 Ų | 109.6 | 53% | 0.528 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.9 | -46.3 | 176.6 | -178.6 | 61.6 | 0 | 0 | 0 | 112.1 | Q242 M243 S249 L250 | Q242-H246 WeakPolarHBondContact O-CB 3.46Å; Q242-H246 PolarHBondContact O-N 2.94Å; M243-H246 PolarHBondContact O-N 3.11Å; H246-S249 WeakPolarHBondContact O-CB 3.34Å; H246-S249 PolarHBondContact O-N 3.18Å; H246-L250 WeakPolarHBondContact O-CG 3.25Å; H246-L250 PolarHBondContact O-N 3.41Å |
| 247 | L | 96.9 | Very high | 91.2 | Very high | 85 Ų | 85 | 110.7 Ų | 110.7 | 45% | 0.445 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.3 | -43.5 | 176.6 | -71.1 | 168.8 | 0 | 0 | 0 | 111.9 | M243 S244 S249 L250 L251 | M243-L247 HydrophobicContact CG-CD1 3.95Å; M243-L247 HydrophobicContact CG-CG 4.44Å; M243-L247 WeakPolarHBondContact O-CB 3.34Å; M243-L247 WeakPolarHBondContact O-CG 3.31Å; M243-L247 PolarHBondContact O-N 3.45Å; S244-L247 PolarHBondContact O-N 3.26Å; L247-S249 VanDerWaalsContact C-N 3.3Å; L247-S249 PolarHBondContact O-N 3.17Å; L247-L250 PolarHBondContact O-N 3.16Å; L247-L251 WeakPolarHBondContact O-CB 3.45Å; L247-L251 VanDerWaalsContact O-CG 3.27Å; L247-L251 WeakPolarHBondContact O-CG 3.25Å; L247-L251 PolarHBondContact O-N 3.45Å |
| 248 | K | 95.9 | Very high | 91.9 | Very high | 64 Ų | 64 | 114.6 Ų | 114.6 | 28% | 0.278 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -58.3 | -41.3 | 174.4 | -76.8 | 174.2 | 63.5 | -173.5 | 0 | 112.1 | S244 V245 L251 K252 V253 D255 | S244-K248 WeakPolarHBondContact O-CB 3.33Å; S244-K248 VanDerWaalsContact O-CG 3.27Å; S244-K248 WeakPolarHBondContact O-CG 3.43Å; S244-K248 PolarHBondContact O-N 2.71Å; V245-K248 PolarHBondContact O-N 3.39Å; K248-L251 CarbonylContact O-C 3.58Å; K248-L251 PolarHBondContact O-N 2.92Å; K248-K252 WeakPolarHBondContact O-CA 3.38Å; K248-K252 PolarHBondContact O-N 3.24Å; K248-V253 HydrophobicContact CB-CB 4.33Å; K248-V253 HydrophobicContact CG-CB 4.3Å; K248-V253 PolarHBondContact O-N 3.42Å; K248-D255 IonicContact NZ-OD1 2.59Å; K248-D255 PolarHBondContact NZ-OD1 3.16Å; K248-D255 IonicContact NZ-OD2 2.73Å; K248-D255 PolarHBondContact NZ-OD2 2.64Å |
| 249 | S | 96.1 | Very high | 92.4 | Very high | 88 Ų | 88 | 113.9 Ų | 113.9 | 62% | 0.615 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -63 | -47.8 | 176 | -176.1 | 0 | 0 | 0 | 0 | 112.1 | V245 H246 L247 L251 K252 | V245-S249 WeakPolarHBondContact O-CB 3.41Å; V245-S249 PolarHBondContact O-N 3.37Å; H246-S249 WeakPolarHBondContact O-CB 3.34Å; H246-S249 PolarHBondContact O-N 3.18Å; L247-S249 VanDerWaalsContact C-N 3.3Å; L247-S249 PolarHBondContact O-N 3.17Å; S249-L251 PolarHBondContact O-N 3.33Å; S249-K252 PolarHBondContact O-N 3.13Å; S249-K252 VanDerWaalsContact O-N 3.16Å |
| 250 | L | 97.1 | Very high | 92.7 | Very high | 116 Ų | 116 | 117.9 Ų | 117.9 | 61% | 0.607 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -61.8 | -40.9 | 176.1 | -69.3 | 178.5 | 0 | 0 | 0 | 112.8 | H246 L247 K252 | H246-L250 WeakPolarHBondContact O-CG 3.25Å; H246-L250 PolarHBondContact O-N 3.41Å; L247-L250 PolarHBondContact O-N 3.16Å; L250-K252 VanDerWaalsContact C-N 3.26Å; L250-K252 PolarHBondContact O-N 3.13Å |
| 251 | L | 97.4 | Very high | 92.9 | Very high | 131 Ų | 131 | 114.1 Ų | 114.1 | 69% | 0.686 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -80.3 | -5.4 | 178.9 | -65 | 174.3 | 0 | 0 | 0 | 113.1 | L247 K248 S249 V253 | L247-L251 WeakPolarHBondContact O-CB 3.45Å; L247-L251 VanDerWaalsContact O-CG 3.27Å; L247-L251 WeakPolarHBondContact O-CG 3.25Å; L247-L251 PolarHBondContact O-N 3.45Å; K248-L251 CarbonylContact O-C 3.58Å; K248-L251 PolarHBondContact O-N 2.92Å; S249-L251 PolarHBondContact O-N 3.33Å; L251-V253 HydrophobicContact CB-CG2 3.87Å; L251-V253 PolarHBondContact O-N 3.09Å |
| 252 | K | 95.5 | Very high | 93.1 | Very high | 177 Ų | 177 | 116.2 Ų | 116.2 | 77% | 0.77 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 51.6 | 36.6 | -175.2 | -58.9 | 175.7 | 60.8 | 180 | 0 | 113.4 | K248 S249 L250 Q254 | K248-K252 WeakPolarHBondContact O-CA 3.38Å; K248-K252 PolarHBondContact O-N 3.24Å; S249-K252 PolarHBondContact O-N 3.13Å; S249-K252 VanDerWaalsContact O-N 3.16Å; L250-K252 VanDerWaalsContact C-N 3.26Å; L250-K252 PolarHBondContact O-N 3.13Å; K252-Q254 PolarHBondContact O-N 2.94Å |
| 253 | V | 92.9 | Very high | 93.1 | Very high | 79 Ų | 79 | 115.8 Ų | 115.8 | 48% | 0.479 | 61% | 0.606 | S | S | . | * | | | trans | -69.5 | 114.3 | 173.1 | 178.2 | 0 | 0 | 0 | 0 | 107.8 | K248 L251 | K248-V253 HydrophobicContact CB-CB 4.33Å; K248-V253 HydrophobicContact CG-CB 4.3Å; K248-V253 PolarHBondContact O-N 3.42Å; L251-V253 HydrophobicContact CB-CG2 3.87Å; L251-V253 PolarHBondContact O-N 3.09Å |
| 254 | Q | 83.8 | Confident | 93 | Very high | 183 Ų | 183 | 115.8 Ų | 115.8 | 86% | 0.855 | 61% | 0.609 | S | S | * | * | | | trans | -76.8 | 145.5 | 165.8 | -74.6 | 174.1 | 58.4 | 0 | 0 | 109.1 | K252 | K252-Q254 PolarHBondContact O-N 2.94Š|
| 255 | D | 76.1 | Confident | 92.9 | Very high | 199 Ų | 199 | 121.2 Ų | 121.2 | 100% | 1.064 | 63% | 0.629 | S | S | * | * | | | trans | -83.5 | 0 | 171.3 | -76.3 | -65.7 | 0 | 0 | 0 | 111.4 | K248 | K248-D255 IonicContact NZ-OD1 2.59Å; K248-D255 PolarHBondContact NZ-OD1 3.16Å; K248-D255 IonicContact NZ-OD2 2.73Å; K248-D255 PolarHBondContact NZ-OD2 2.64Å |